A0A5K4FAM3_SCHMA Loading...

SH3 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAM3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 895 aa.

						>A0A5K4FAM3_SCHMA|A0A5K4FAM3
MTEAKKQIDLVTEKLDQTSSQIKRFISFVNSHKKPTSEQQENFNTKAVQFLEELNRHADTIKQIKQDKNTENQLPKLESMKNQLLTRISTLTDKLNKLDKKIGTIRVSLLAGDENISNQKVKSQDPESEMSITINKKSTELNVQDEEEEEEGEKEEQVGKKSKHRKTKSESKSIKLKISKEKNVKESKDTTPAPASNTSTTVIAQIHATDNHDEIHNDDGEDKHNLDPDKTLKKILDSSSVDISSEPVESKKCEMIDLFYQTIRQWIGDDEDDLSFKSGETLKILEKDDDGWWLGENIQGKQGLVPMNFLKDYIKQKDVLNKANIQAEDSPQTYSDDDDADEVAEEEKNQANAVSKQKVNKENIEVKSSEITKTSTSVNQIPDYTEDSVEYGEETWENDEKEGEGDETSENFDIEEDEESEDEDNNVEEDNVEIIEEEKVGITQSSKLMHSGKSFASTPFVDTEKRYSPWSMAFTMQQITRNNEKALEAYQPLPSSVRLSFLSLPGLASYNYQKFLSPKLGNSHLIFTDILLDTDSKKITRRQPRWQKIISIQKITQLSILEESNLSILNCLVRLCLFDGIMPISNICYLPITPTDREKKTWIVTPHNIKKSEKLYELSSDLFVRYNDQNMNICILIEIQIVVSNQNSNQPIELSLGWITIPLYDENGQIIPNKTCDYQLQDSLPFENGKGNKTSVKDVSLKSRMQNLLFNKTTQVTVRFSQPNKEQQDKLNSLPDILIGLIGYAPFLSYHRDFLANIFPGFGRTDDKDRFILRYVQPEVALFPVVADCPLLIECLRVSWQDRLKEIPGNSKKDSEYLKKLYSDHFRRVIYPLLWLQDIEFPSVMSLQQFENESPKVLNLIEQIRQNFMKFITSNQYTFKLFTSKEFTCPIQFPN
					

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(Predicted Aligned Error values between residue pairs)

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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	64.6	Low	82.9	Confident	60 Å²	60	69.7 Å²	69.7	30%	0.296	35%	0.35	S	S	.	.				0	-70.6	0	-82.5	-56.1	-73.5	0	0	114.2	E3 A4 K5 D67 T70 Q73 L77	M1-E3 VanDerWaalsContact C-N 3.27Å; M1-E3 PolarHBondContact O-N 3.31Å; M1-A4 WeakPolarHBondContact O-CA 3.41Å; M1-A4 WeakPolarHBondContact O-CB 3.33Å; M1-A4 PolarHBondContact O-N 3.29Å; M1-K5 PolarHBondContact O-N 3.33Å; M1-D67 PolarHBondContact N-OD2 2.91Å; M1-T70 HydrophobicContact CG-CG2 4.02Å; M1-T70 WeakPolarHBondContact CG-OG1 3.37Å; M1-Q73 HydrophobicContact CE-CB 4.16Å; M1-L77 HydrophobicContact SD-CD2 4.41Å
2	T	75.2	Confident	83.7	Confident	125 Å²	125	67.2 Å²	67.2	77%	0.767	34%	0.34	S	S	*	.	H	α-helix	trans	-53.2	-43.5	-175.5	-46.1	0	0	0	0	113	K5 K6	T2-K5 PolarHBondContact O-N 2.84Å; T2-K6 PolarHBondContact O-N 3.11Å
3	E	77.8	Confident	84.4	Confident	100 Å²	100	70.8 Å²	70.8	47%	0.467	36%	0.356	S	S	.	.	H	α-helix	trans	-63.3	-42.1	175.6	-176.6	52.8	-148.1	0	0	112.7	M1 K5 K6 Q7	M1-E3 VanDerWaalsContact C-N 3.27Å; M1-E3 PolarHBondContact O-N 3.31Å; E3-K5 VanDerWaalsContact C-N 3.32Å; E3-K5 PolarHBondContact O-N 3.42Å; E3-K6 WeakPolarHBondContact O-CB 3.5Å; E3-K6 PolarHBondContact O-N 3.3Å; E3-Q7 WeakPolarHBondContact O-CG 3.25Å; E3-Q7 PolarHBondContact O-N 2.93Å; E3-Q7 PolarHBondContact OE1-NE2 2.92Å
4	A	81	Confident	84.9	Confident	9 Å²	9	72.8 Å²	72.8	7%	0.074	36%	0.361	C	S	.	.	H	α-helix	trans	-63.7	-35.4	175.3	0	0	0	0	0	112.4	M1 I8 I64 L77	M1-A4 WeakPolarHBondContact O-CA 3.41Å; M1-A4 WeakPolarHBondContact O-CB 3.33Å; M1-A4 PolarHBondContact O-N 3.29Å; A4-I8 WeakPolarHBondContact O-CG1 3.23Å; A4-I8 PolarHBondContact O-N 2.96Å; A4-I8 VanDerWaalsContact O-N 3.08Å; A4-I64 HydrophobicContact CB-CG2 3.9Å; A4-L77 HydrophobicContact CB-CD1 4.48Å; A4-L77 HydrophobicContact CB-CD2 4.48Å
5	K	82.4	Confident	85.5	Confident	103 Å²	103	67.9 Å²	67.9	45%	0.448	34%	0.337	S	S	.	.	H	α-helix	trans	-66.6	-47.5	172	-167.1	-166.9	176.8	-71	0	110.9	M1 T2 E3 Q7 I8 D9	M1-K5 PolarHBondContact O-N 3.33Å; T2-K5 PolarHBondContact O-N 2.84Å; E3-K5 VanDerWaalsContact C-N 3.32Å; E3-K5 PolarHBondContact O-N 3.42Å; K5-Q7 PolarHBondContact O-N 3.43Å; K5-I8 CarbonylContact O-C 3.55Å; K5-I8 PolarHBondContact O-N 2.93Å; K5-D9 IonicContact NZ-OD1 2.73Å; K5-D9 PolarHBondContact NZ-OD1 3.03Å; K5-D9 IonicContact NZ-OD2 2.69Å; K5-D9 PolarHBondContact NZ-OD2 3Å; K5-D9 PolarHBondContact O-N 2.96Å
6	K	85.5	Confident	85.9	Confident	135 Å²	135	67.8 Å²	67.8	59%	0.587	34%	0.338	S	S	*	.	H	α-helix	trans	-56.7	-37.3	177	-173.8	-174.3	174.8	-167	0	112.2	T2 E3 L10	T2-K6 PolarHBondContact O-N 3.11Å; E3-K6 WeakPolarHBondContact O-CB 3.5Å; E3-K6 PolarHBondContact O-N 3.3Å; K6-L10 VanDerWaalsContact O-CB 3.31Å; K6-L10 WeakPolarHBondContact O-CB 3.4Å; K6-L10 PolarHBondContact O-N 2.94Å
7	Q	86.8	Confident	86.1	Confident	72 Å²	72	68.8 Å²	68.8	34%	0.336	34%	0.341	S	S	.	.	H	α-helix	trans	-68.5	-40.6	173.9	-71.2	173.1	14	0	0	112.6	E3 K5 V11 I64	E3-Q7 WeakPolarHBondContact O-CG 3.25Å; E3-Q7 PolarHBondContact O-N 2.93Å; E3-Q7 PolarHBondContact OE1-NE2 2.92Å; K5-Q7 PolarHBondContact O-N 3.43Å; Q7-V11 WeakPolarHBondContact O-CB 3.09Å; Q7-V11 VanDerWaalsContact O-CG2 3.25Å; Q7-V11 WeakPolarHBondContact O-CG2 3.4Å; Q7-V11 PolarHBondContact O-N 2.79Å; Q7-I64 HydrophobicContact CB-CD1 4Å; Q7-I64 HydrophobicContact CB-CG1 4.33Å
8	I	88.5	Confident	86.4	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-64.9	-44.6	172.4	-68.3	178.4	0	0	0	111.2	A4 K5 L10 V11 T12 I64 L77 M80 K81 L84	A4-I8 WeakPolarHBondContact O-CG1 3.23Å; A4-I8 PolarHBondContact O-N 2.96Å; A4-I8 VanDerWaalsContact O-N 3.08Å; K5-I8 CarbonylContact O-C 3.55Å; K5-I8 PolarHBondContact O-N 2.93Å; I8-L10 PolarHBondContact O-N 2.77Å; I8-V11 PolarHBondContact O-N 2.87Å; I8-T12 WeakPolarHBondContact O-CB 3.44Å; I8-T12 PolarHBondContact O-N 2.96Å; I8-T12 PolarHBondContact O-OG1 2.81Å; I8-I64 HydrophobicContact CG1-CD1 3.58Å; I8-L77 HydrophobicContact CD1-CD1 3.52Å; I8-L77 HydrophobicContact CD1-CG 4.07Å; I8-M80 HydrophobicContact CD1-CB 4.29Å; I8-M80 HydrophobicContact CG2-CB 4.3Å; I8-M80 HydrophobicContact CG2-CE 3.89Å; I8-K81 HydrophobicContact CD1-CG 3.84Å; I8-L84 HydrophobicContact CG2-CD1 3.88Å
9	D	89	Confident	86.7	Confident	68 Å²	68	62 Å²	62	36%	0.364	31%	0.308	S	S	.	.	H	α-helix	trans	-59.5	-46.7	179.4	-60.8	-29.9	0	0	0	110.1	K5 V11 T12 E13	K5-D9 IonicContact NZ-OD1 2.73Å; K5-D9 PolarHBondContact NZ-OD1 3.03Å; K5-D9 IonicContact NZ-OD2 2.69Å; K5-D9 PolarHBondContact NZ-OD2 3Å; K5-D9 PolarHBondContact O-N 2.96Å; D9-V11 PolarHBondContact O-N 2.83Å; D9-T12 WeakPolarHBondContact O-CB 3.46Å; D9-T12 PolarHBondContact O-N 2.87Å; D9-E13 PolarHBondContact O-N 2.92Å
10	L	90	Very high	86.9	Confident	82 Å²	82	61 Å²	61	43%	0.429	31%	0.307	S	S	.	.	H	α-helix	trans	-64.7	-36.9	176.4	178.9	64.6	0	0	0	114	K6 I8 T12 K14	K6-L10 VanDerWaalsContact O-CB 3.31Å; K6-L10 WeakPolarHBondContact O-CB 3.4Å; K6-L10 PolarHBondContact O-N 2.94Å; I8-L10 PolarHBondContact O-N 2.77Å; L10-T12 VanDerWaalsContact C-N 3.34Å; L10-K14 WeakPolarHBondContact O-CG 3.34Å; L10-K14 PolarHBondContact O-N 2.65Å
11	V	91.4	Very high	87.1	Confident	12 Å²	12	58.7 Å²	58.7	7%	0.073	30%	0.296	C	S	.	.	H	α-helix	trans	-75.5	-27.4	175.8	175	0	0	0	0	111.3	Q7 I8 D9 L15 T60 I61	Q7-V11 WeakPolarHBondContact O-CB 3.09Å; Q7-V11 VanDerWaalsContact O-CG2 3.25Å; Q7-V11 WeakPolarHBondContact O-CG2 3.4Å; Q7-V11 PolarHBondContact O-N 2.79Å; I8-V11 PolarHBondContact O-N 2.87Å; D9-V11 PolarHBondContact O-N 2.83Å; V11-L15 VanDerWaalsContact O-CB 3.26Å; V11-L15 WeakPolarHBondContact O-CB 3.15Å; V11-L15 PolarHBondContact O-N 2.86Å; V11-T60 HydrophobicContact CG2-CG2 3.7Å; V11-I61 HydrophobicContact CG1-CD1 4.13Å; V11-I61 HydrophobicContact CG1-CG1 3.72Å
12	T	92.6	Very high	88.4	Confident	39 Å²	39	55.9 Å²	55.9	24%	0.239	28%	0.282	C	S	.	.	H	α-helix	trans	-65.1	-50.9	172.6	-54.9	0	0	0	0	110.2	I8 D9 L10 K14 L15 D16 L84	I8-T12 WeakPolarHBondContact O-CB 3.44Å; I8-T12 PolarHBondContact O-N 2.96Å; I8-T12 PolarHBondContact O-OG1 2.81Å; D9-T12 WeakPolarHBondContact O-CB 3.46Å; D9-T12 PolarHBondContact O-N 2.87Å; L10-T12 VanDerWaalsContact C-N 3.34Å; T12-K14 PolarHBondContact O-N 2.84Å; T12-L15 CarbonylContact O-C 3.57Å; T12-L15 PolarHBondContact O-N 2.6Å; T12-L15 VanDerWaalsContact O-N 3.1Å; T12-D16 PolarHBondContact O-N 2.75Å; T12-L84 HydrophobicContact CG2-CD2 4.09Å
13	E	92.3	Very high	89.2	Confident	115 Å²	115	55.5 Å²	55.5	54%	0.537	27%	0.269	S	S	.	.	H	α-helix	trans	-53.3	-49.4	176.3	179.9	177.4	-148.3	0	0	112.4	D9 L15 D16 Q17	D9-E13 PolarHBondContact O-N 2.92Å; E13-L15 PolarHBondContact O-N 2.97Å; E13-D16 WeakPolarHBondContact O-CB 3.49Å; E13-D16 PolarHBondContact O-N 2.83Å; E13-Q17 PolarHBondContact O-N 2.73Å
14	K	92.1	Very high	89.9	Confident	98 Å²	98	54.6 Å²	54.6	43%	0.426	26%	0.262	S	S	.	.	H	α-helix	trans	-63.8	-40.5	175.9	-69.1	-177.4	178.7	-169.8	0	112.7	L10 T12 D16 Q17 T18	L10-K14 WeakPolarHBondContact O-CG 3.34Å; L10-K14 PolarHBondContact O-N 2.65Å; T12-K14 PolarHBondContact O-N 2.84Å; K14-D16 VanDerWaalsContact C-N 3.29Å; K14-D16 PolarHBondContact O-N 2.69Å; K14-Q17 WeakPolarHBondContact O-CB 3.42Å; K14-Q17 PolarHBondContact O-N 3.49Å; K14-T18 PolarHBondContact O-N 3.31Å; K14-T18 PolarHBondContact O-OG1 2.86Å
15	L	93.6	Very high	90.4	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-67.4	-30.2	175.6	-176.1	62.3	0	0	0	112	V11 T12 E13 S19 L54 L84 R87 I88 L91	V11-L15 VanDerWaalsContact O-CB 3.26Å; V11-L15 WeakPolarHBondContact O-CB 3.15Å; V11-L15 PolarHBondContact O-N 2.86Å; T12-L15 CarbonylContact O-C 3.57Å; T12-L15 PolarHBondContact O-N 2.6Å; T12-L15 VanDerWaalsContact O-N 3.1Å; E13-L15 PolarHBondContact O-N 2.97Å; L15-S19 WeakPolarHBondContact O-CA 3.29Å; L15-S19 WeakPolarHBondContact O-CB 3.43Å; L15-S19 PolarHBondContact O-N 3.31Å; L15-L54 HydrophobicContact CD1-CD2 3.91Å; L15-L84 HydrophobicContact CD2-CB 4.38Å; L15-L84 HydrophobicContact CD2-CD2 3.92Å; L15-R87 HydrophobicContact CD2-CB 4.26Å; L15-R87 HydrophobicContact CD2-CG 4.15Å; L15-I88 HydrophobicContact CD1-CD1 4.35Å; L15-I88 HydrophobicContact CD1-CG1 3.59Å; L15-I88 HydrophobicContact CD2-CD1 4.29Å; L15-I88 HydrophobicContact CD2-CG1 3.76Å; L15-I88 HydrophobicContact CG-CG1 4.35Å; L15-L91 HydrophobicContact CD1-CD1 4.02Å
16	D	91.9	Very high	90.9	Very high	66 Å²	66	51.8 Å²	51.8	35%	0.353	25%	0.249	S	C	.	.	H	α-helix	trans	-66.1	-41.8	172.3	-86.5	-57.6	0	0	0	112	T12 E13 K14 S20 R87	T12-D16 PolarHBondContact O-N 2.75Å; E13-D16 WeakPolarHBondContact O-CB 3.49Å; E13-D16 PolarHBondContact O-N 2.83Å; K14-D16 VanDerWaalsContact C-N 3.29Å; K14-D16 PolarHBondContact O-N 2.69Å; D16-S20 WeakPolarHBondContact O-CB 3.48Å; D16-S20 PolarHBondContact O-N 2.78Å; D16-S20 PolarHBondContact O-OG 2.96Å; D16-R87 VanDerWaalsContact CG-NH1 3.31Å; D16-R87 IonicContact OD1-CZ 3.76Å; D16-R87 IonicContact OD1-NH1 2.86Å; D16-R87 PolarHBondContact OD1-NH1 3.29Å; D16-R87 IonicContact OD1-NH2 3.85Å; D16-R87 PolarHBondContact OD1-NH2 2.94Å; D16-R87 IonicContact OD2-NH1 2.78Å; D16-R87 PolarHBondContact OD2-NH1 2.91Å
17	Q	89.9	Confident	91.1	Very high	85 Å²	85	49.3 Å²	49.3	40%	0.397	25%	0.249	S	C	.	.	H	α-helix	trans	-60.4	-63.4	170.9	-68.6	172.3	-38.5	0	0	110.8	E13 K14 S19 S20 Q21	E13-Q17 PolarHBondContact O-N 2.73Å; K14-Q17 WeakPolarHBondContact O-CB 3.42Å; K14-Q17 PolarHBondContact O-N 3.49Å; Q17-S19 PolarHBondContact O-N 2.88Å; Q17-S19 VanDerWaalsContact O-N 3.15Å; Q17-S20 WeakPolarHBondContact O-CA 3.47Å; Q17-S20 PolarHBondContact O-N 3.28Å; Q17-Q21 WeakPolarHBondContact O-CG 3.39Å; Q17-Q21 PolarHBondContact O-N 3.37Å
18	T	90.7	Very high	91.1	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-55.4	-38.3	180	-41	0	0	0	0	111.7	K14 S20 I22 F50 E53 L54 H57	K14-T18 PolarHBondContact O-N 3.31Å; K14-T18 PolarHBondContact O-OG1 2.86Å; T18-S20 PolarHBondContact O-N 2.92Å; T18-I22 HydrophobicContact CG2-CD1 3.91Å; T18-I22 HydrophobicContact CG2-CG1 4.47Å; T18-I22 WeakPolarHBondContact O-CB 3.06Å; T18-I22 WeakPolarHBondContact O-CD1 3.35Å; T18-I22 VanDerWaalsContact O-CG1 3.23Å; T18-I22 WeakPolarHBondContact O-CG1 3.31Å; T18-I22 PolarHBondContact O-N 3.18Å; T18-F50 HydrophobicContact CG2-CD1 4.37Å; T18-E53 WeakPolarHBondContact CB-OE1 3.47Å; T18-E53 HydrophobicContact CG2-CB 4.5Å; T18-E53 HydrophobicContact CG2-CG 4.28Å; T18-E53 WeakPolarHBondContact CG2-OE1 3.31Å; T18-E53 PolarHBondContact OG1-OE1 2.92Å; T18-L54 HydrophobicContact CG2-CD2 4.45Å; T18-H57 PolarHBondContact OG1-NE2 2.83Å
19	S	92.4	Very high	91.1	Very high	6 Å²	6	50.6 Å²	50.6	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-24.4	176.3	177.3	0	0	0	0	113.6	L15 Q17 K23 R87	L15-S19 WeakPolarHBondContact O-CA 3.29Å; L15-S19 WeakPolarHBondContact O-CB 3.43Å; L15-S19 PolarHBondContact O-N 3.31Å; Q17-S19 PolarHBondContact O-N 2.88Å; Q17-S19 VanDerWaalsContact O-N 3.15Å; S19-K23 WeakPolarHBondContact O-CE 3.29Å; S19-K23 VanDerWaalsContact O-CG 3.29Å; S19-K23 WeakPolarHBondContact O-CG 3.46Å; S19-R87 PolarHBondContact OG-NH2 3.22Å
20	S	91.3	Very high	90.9	Very high	42 Å²	42	50.8 Å²	50.8	29%	0.294	26%	0.255	S	S	.	.	H	α-helix	trans	-93.2	-40.9	-178.6	-59	0	0	0	0	110.9	D16 Q17 T18 I22 K23 R24	D16-S20 WeakPolarHBondContact O-CB 3.48Å; D16-S20 PolarHBondContact O-N 2.78Å; D16-S20 PolarHBondContact O-OG 2.96Å; Q17-S20 WeakPolarHBondContact O-CA 3.47Å; Q17-S20 PolarHBondContact O-N 3.28Å; T18-S20 PolarHBondContact O-N 2.92Å; S20-I22 VanDerWaalsContact C-N 3.31Å; S20-I22 PolarHBondContact O-N 2.92Å; S20-K23 WeakPolarHBondContact O-CB 3.13Å; S20-K23 PolarHBondContact O-N 3.11Å; S20-R24 PolarHBondContact O-N 2.95Å; S20-R24 VanDerWaalsContact O-N 3.07Å
21	Q	90	Very high	90.7	Very high	13 Å²	13	51 Å²	51	6%	0.061	26%	0.263	C	S	.	.	H	α-helix	trans	-51.4	-47.9	166.1	-64.5	-164.9	-4.1	0	0	111.9	Q17 K23 R24 F25 F50 D288 D290	Q17-Q21 WeakPolarHBondContact O-CG 3.39Å; Q17-Q21 PolarHBondContact O-N 3.37Å; Q21-K23 PolarHBondContact O-N 3.37Å; Q21-R24 PolarHBondContact O-N 3.4Å; Q21-F25 WeakPolarHBondContact O-CB 3.28Å; Q21-F25 PolarHBondContact O-N 3.16Å; Q21-F50 HydrophobicContact CB-CE1 3.83Å; Q21-F50 HydrophobicContact CB-CZ 4.11Å; Q21-D288 PolarHBondContact NE2-OD1 3.02Å; Q21-D288 VanDerWaalsContact NE2-OD1 3.09Å; Q21-D290 HydrophobicContact CB-CB 3.62Å; Q21-D290 HydrophobicContact CG-CB 3.54Å
22	I	92.7	Very high	90.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-36.8	176.4	-73.1	167.4	0	0	0	112.4	T18 S20 I26 F50 L54 L91 L95	T18-I22 HydrophobicContact CG2-CD1 3.91Å; T18-I22 HydrophobicContact CG2-CG1 4.47Å; T18-I22 WeakPolarHBondContact O-CB 3.06Å; T18-I22 WeakPolarHBondContact O-CD1 3.35Å; T18-I22 VanDerWaalsContact O-CG1 3.23Å; T18-I22 WeakPolarHBondContact O-CG1 3.31Å; T18-I22 PolarHBondContact O-N 3.18Å; S20-I22 VanDerWaalsContact C-N 3.31Å; S20-I22 PolarHBondContact O-N 2.92Å; I22-I26 HydrophobicContact CG2-CD1 3.58Å; I22-I26 HydrophobicContact CG2-CG1 4.35Å; I22-I26 WeakPolarHBondContact O-CB 3.44Å; I22-I26 WeakPolarHBondContact O-CD1 3.44Å; I22-I26 WeakPolarHBondContact O-CG1 3.4Å; I22-I26 PolarHBondContact O-N 3.46Å; I22-F50 HydrophobicContact CD1-CB 4.15Å; I22-F50 HydrophobicContact CD1-CD1 4.36Å; I22-F50 HydrophobicContact CD1-CG 4.37Å; I22-F50 HydrophobicContact CG1-CB 3.99Å; I22-F50 HydrophobicContact CG1-CD1 3.73Å; I22-F50 HydrophobicContact CG1-CD2 4.18Å; I22-F50 HydrophobicContact CG1-CE1 4.2Å; I22-F50 HydrophobicContact CG1-CG 3.72Å; I22-L54 HydrophobicContact CD1-CD1 3.84Å; I22-L54 HydrophobicContact CD1-CD2 4.13Å; I22-L54 HydrophobicContact CD1-CG 4.05Å; I22-L91 HydrophobicContact CD1-CB 4.4Å; I22-L91 HydrophobicContact CG2-CD2 4.13Å; I22-L95 HydrophobicContact CD1-CD1 3.95Å; I22-L95 HydrophobicContact CG1-CD1 4.25Å; I22-L95 HydrophobicContact CG2-CD1 4.39Å; I22-L95 HydrophobicContact CG2-CD2 4.11Å; I22-L95 HydrophobicContact CG2-CG 4.07Å
23	K	92.5	Very high	89.5	Confident	118 Å²	118	60.4 Å²	60.4	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-65	-47.7	176	-68.1	163	-160.7	158.3	0	111.1	S19 S20 Q21 F25 I26 S27	S19-K23 WeakPolarHBondContact O-CE 3.29Å; S19-K23 VanDerWaalsContact O-CG 3.29Å; S19-K23 WeakPolarHBondContact O-CG 3.46Å; S20-K23 WeakPolarHBondContact O-CB 3.13Å; S20-K23 PolarHBondContact O-N 3.11Å; Q21-K23 PolarHBondContact O-N 3.37Å; K23-F25 PolarHBondContact O-N 2.85Å; K23-I26 PolarHBondContact O-N 2.84Å; K23-S27 PolarHBondContact O-N 2.89Å
24	R	90.9	Very high	88.9	Confident	80 Å²	80	64.4 Å²	64.4	30%	0.302	32%	0.316	S	S	.	.	H	α-helix	trans	-58.1	-48.2	177.6	-71.3	172.1	179.7	158	1.1	110.5	S20 Q21 I26 S27 F28 D290	S20-R24 PolarHBondContact O-N 2.95Å; S20-R24 VanDerWaalsContact O-N 3.07Å; Q21-R24 PolarHBondContact O-N 3.4Å; R24-I26 PolarHBondContact O-N 2.8Å; R24-S27 WeakPolarHBondContact O-CB 3.4Å; R24-S27 PolarHBondContact O-N 3.01Å; R24-F28 WeakPolarHBondContact O-CB 3.33Å; R24-F28 PolarHBondContact O-N 2.81Å; R24-D290 WeakPolarHBondContact CD-OD2 3.37Å; R24-D290 IonicContact CZ-OD2 3.12Å; R24-D290 IonicContact NE-OD2 3.95Å; R24-D290 IonicContact NH1-OD1 2.65Å; R24-D290 IonicContact NH1-OD2 2.73Å; R24-D290 PolarHBondContact NH1-OD2 2.96Å
25	F	93.2	Very high	88.3	Confident	19 Å²	19	60.8 Å²	60.8	8%	0.083	30%	0.302	C	S	.	.	H	α-helix	trans	-59.2	-46.5	175.6	176.2	-107.5	0	0	0	113.1	Q21 K23 S27 F28 V29 F43 K46 A47 F50 L95 L98	Q21-F25 WeakPolarHBondContact O-CB 3.28Å; Q21-F25 PolarHBondContact O-N 3.16Å; K23-F25 PolarHBondContact O-N 2.85Å; F25-S27 VanDerWaalsContact C-N 3.29Å; F25-S27 PolarHBondContact O-N 3.32Å; F25-F28 PolarHBondContact O-N 3.36Å; F25-V29 HydrophobicContact CD1-CG2 4.46Å; F25-V29 HydrophobicContact CD2-CG2 4.06Å; F25-V29 HydrophobicContact CE1-CG2 4.02Å; F25-V29 HydrophobicContact CE2-CG2 3.57Å; F25-V29 HydrophobicContact CG-CG2 4.48Å; F25-V29 HydrophobicContact CZ-CG2 3.54Å; F25-V29 WeakPolarHBondContact O-CG2 3.48Å; F25-V29 PolarHBondContact O-N 3.22Å; F25-F43 HydrophobicContact CZ-CB 4.36Å; F25-F43 WeakPolarHBondContact CZ-O 3.38Å; F25-K46 HydrophobicContact CD2-CG 4.03Å; F25-K46 HydrophobicContact CE2-CB 3.87Å; F25-K46 HydrophobicContact CE2-CG 3.86Å; F25-K46 HydrophobicContact CZ-CB 4.18Å; F25-K46 HydrophobicContact CZ-CG 4.43Å; F25-A47 HydrophobicContact CE1-CB 3.98Å; F25-A47 HydrophobicContact CZ-CB 4.21Å; F25-F50 HydrophobicContact CB-CE2 3.69Å; F25-F50 HydrophobicContact CB-CZ 4.3Å; F25-F50 HydrophobicContact CD1-CD2 4.03Å; F25-F50 AromaticContact CD1-CE2 3.89Å; F25-F50 HydrophobicContact CD1-CE2 3.89Å; F25-F50 HydrophobicContact CD2-CE2 4.18Å; F25-F50 HydrophobicContact CE1-CD2 4.49Å; F25-F50 HydrophobicContact CG-CD2 4.26Å; F25-F50 AromaticContact CG-CE2 3.64Å; F25-F50 HydrophobicContact CG-CE2 3.64Å; F25-L95 HydrophobicContact CD1-CD2 3.99Å; F25-L95 HydrophobicContact CE1-CD2 4.08Å; F25-L98 HydrophobicContact CD1-CD1 4.22Å; F25-L98 HydrophobicContact CE1-CD1 3.71Å
26	I	91.2	Very high	87.8	Confident	35 Å²	35	64.3 Å²	64.3	18%	0.179	32%	0.324	C	S	.	.	H	α-helix	trans	-60.4	-38.6	175.7	-73.3	163.8	0	0	0	111.4	I22 K23 R24 N30 K94 L98	I22-I26 HydrophobicContact CG2-CD1 3.58Å; I22-I26 HydrophobicContact CG2-CG1 4.35Å; I22-I26 WeakPolarHBondContact O-CB 3.44Å; I22-I26 WeakPolarHBondContact O-CD1 3.44Å; I22-I26 WeakPolarHBondContact O-CG1 3.4Å; I22-I26 PolarHBondContact O-N 3.46Å; K23-I26 PolarHBondContact O-N 2.84Å; R24-I26 PolarHBondContact O-N 2.8Å; I26-N30 VanDerWaalsContact O-CB 3.28Å; I26-N30 WeakPolarHBondContact O-CB 3.29Å; I26-N30 PolarHBondContact O-N 2.84Å; I26-N30 VanDerWaalsContact O-N 3.1Å; I26-N30 PolarHBondContact O-ND2 3.14Å; I26-K94 HydrophobicContact CD1-CB 3.77Å; I26-L98 HydrophobicContact CG1-CD1 4.05Å; I26-L98 HydrophobicContact CG2-CD2 4.49Å
27	S	89.6	Confident	87	Confident	83 Å²	83	65.9 Å²	65.9	58%	0.58	34%	0.34	S	S	*	.	H	α-helix	trans	-65.5	-48.1	176.1	-165.5	0	0	0	0	111.5	K23 R24 F25 N30 S31	K23-S27 PolarHBondContact O-N 2.89Å; R24-S27 WeakPolarHBondContact O-CB 3.4Å; R24-S27 PolarHBondContact O-N 3.01Å; F25-S27 VanDerWaalsContact C-N 3.29Å; F25-S27 PolarHBondContact O-N 3.32Å; S27-N30 CarbonylContact O-C 3.51Å; S27-N30 WeakPolarHBondContact O-CA 3.33Å; S27-N30 WeakPolarHBondContact O-CB 3.34Å; S27-N30 PolarHBondContact O-N 2.96Å; S27-S31 PolarHBondContact O-N 2.92Å
28	F	88.3	Confident	86.2	Confident	98 Å²	98	68.4 Å²	68.4	43%	0.43	35%	0.352	S	S	.	.	H	α-helix	trans	-61.8	-44.3	178.9	178	-101.4	0	0	0	113.3	R24 F25 N30 S31 H32 F43	R24-F28 WeakPolarHBondContact O-CB 3.33Å; R24-F28 PolarHBondContact O-N 2.81Å; F25-F28 PolarHBondContact O-N 3.36Å; F28-N30 PolarHBondContact O-N 3.26Å; F28-S31 PolarHBondContact O-N 2.86Å; F28-S31 PolarHBondContact O-OG 2.7Å; F28-H32 AromaticContact CE1-CE1 3.94Å; F28-H32 AromaticContact CE2-CE1 3.75Å; F28-H32 AromaticContact CZ-CE1 3.59Å; F28-H32 PolarHBondContact O-ND1 3.22Å; F28-F43 HydrophobicContact CD1-CE1 4.35Å; F28-F43 AromaticContact CE1-CE1 3.7Å; F28-F43 HydrophobicContact CE1-CE1 3.7Å; F28-F43 HydrophobicContact CE1-CZ 4.08Å
29	V	86.8	Confident	85.6	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.006	37%	0.366	C	S	.	.	H	α-helix	trans	-64.1	-28.2	171.9	173.5	0	0	0	0	111.1	F25 F43 L98 I102	F25-V29 HydrophobicContact CD1-CG2 4.46Å; F25-V29 HydrophobicContact CD2-CG2 4.06Å; F25-V29 HydrophobicContact CE1-CG2 4.02Å; F25-V29 HydrophobicContact CE2-CG2 3.57Å; F25-V29 HydrophobicContact CG-CG2 4.48Å; F25-V29 HydrophobicContact CZ-CG2 3.54Å; F25-V29 WeakPolarHBondContact O-CG2 3.48Å; F25-V29 PolarHBondContact O-N 3.22Å; V29-F43 HydrophobicContact CB-CD2 4.44Å; V29-F43 HydrophobicContact CG1-CD2 4.08Å; V29-F43 HydrophobicContact CG1-CE2 4.5Å; V29-F43 HydrophobicContact CG2-CB 4.24Å; V29-F43 HydrophobicContact CG2-CD1 4.38Å; V29-F43 HydrophobicContact CG2-CD2 3.89Å; V29-F43 HydrophobicContact CG2-CE2 4.32Å; V29-F43 HydrophobicContact CG2-CG 3.91Å; V29-L98 HydrophobicContact CB-CD1 4.43Å; V29-L98 HydrophobicContact CB-CD2 4.47Å; V29-L98 HydrophobicContact CG1-CD1 4.28Å; V29-L98 HydrophobicContact CG1-CD2 4.02Å; V29-I102 HydrophobicContact CG1-CG2 3.49Å; V29-I102 VanDerWaalsContact CG1-CG2 3.49Å
30	N	86.7	Confident	85.1	Confident	73 Å²	73	74.4 Å²	74.4	39%	0.39	38%	0.379	S	S	.	.	H	α-helix	trans	-80.1	-30.4	179.6	-87.9	-61.8	0	0	0	115.3	I26 S27 F28 H32 K101	I26-N30 VanDerWaalsContact O-CB 3.28Å; I26-N30 WeakPolarHBondContact O-CB 3.29Å; I26-N30 PolarHBondContact O-N 2.84Å; I26-N30 VanDerWaalsContact O-N 3.1Å; I26-N30 PolarHBondContact O-ND2 3.14Å; S27-N30 CarbonylContact O-C 3.51Å; S27-N30 WeakPolarHBondContact O-CA 3.33Å; S27-N30 WeakPolarHBondContact O-CB 3.34Å; S27-N30 PolarHBondContact O-N 2.96Å; F28-N30 PolarHBondContact O-N 3.26Å; N30-H32 PolarHBondContact O-N 3.23Å; N30-K101 PolarHBondContact O-NZ 3.39Å; N30-K101 PolarHBondContact OD1-NZ 3.13Å
31	S	85.8	Confident	84.4	Confident	86 Å²	86	79 Å²	79	60%	0.601	40%	0.396	S	S	*	.	H	α-helix	trans	-65.9	-27.7	175.2	67	0	0	0	0	112.7	S27 F28 K33	S27-S31 PolarHBondContact O-N 2.92Å; F28-S31 PolarHBondContact O-N 2.86Å; F28-S31 PolarHBondContact O-OG 2.7Å; S31-K33 PolarHBondContact O-N 2.66Å; S31-K33 VanDerWaalsContact O-N 3.16Å
32	H	82.3	Confident	83.9	Confident	44 Å²	44	83 Å²	83	20%	0.204	42%	0.417	C	S	.	.			trans	-68.5	108.5	173.4	-70.5	73.6	0	0	0	110.9	F28 N30 P35 F43	F28-H32 AromaticContact CE1-CE1 3.94Å; F28-H32 AromaticContact CE2-CE1 3.75Å; F28-H32 AromaticContact CZ-CE1 3.59Å; F28-H32 PolarHBondContact O-ND1 3.22Å; N30-H32 PolarHBondContact O-N 3.23Å; H32-P35 HydrophobicContact CB-CB 4.47Å; H32-F43 HydrophobicContact CB-CE2 4.33Å; H32-F43 AromaticContact CD2-CZ 3.94Å; H32-F43 AromaticContact CE1-CZ 3.97Å; H32-F43 AromaticContact CG-CZ 3.94Å; H32-F43 AromaticContact ND1-CZ 3.95Å; H32-F43 AromaticContact NE2-CZ 3.97Å
33	K	76.2	Confident	83.7	Confident	204 Å²	204	83.7 Å²	83.7	89%	0.887	42%	0.421	S	S	*	.	S	Bend	trans	-69.7	-39.5	179.5	-71.2	-177.5	178.4	175.8	0	113.2	S31	S31-K33 PolarHBondContact O-N 2.66Å; S31-K33 VanDerWaalsContact O-N 3.16Å
34	K	79.7	Confident	83.2	Confident	199 Å²	199	79.9 Å²	79.9	87%	0.865	41%	0.406	S	S	*	.	S	Bend	trans	-149.1	95.9	172	-73.8	-171.1	178.1	-177.7	0	108.5
35	P	78.3	Confident	82.9	Confident	23 Å²	23	79.4 Å²	79.4	15%	0.149	41%	0.412	C	S	.	.			trans	-67.9	153.3	173.6	27	-32.8	0	0	0	111.9	H32 Q39 Q40 F43	H32-P35 HydrophobicContact CB-CB 4.47Å; P35-Q39 VanDerWaalsContact CA-OE1 3.25Å; P35-Q39 HydrophobicContact CB-CB 3.76Å; P35-Q40 HydrophobicContact CB-CG 4.07Å; P35-Q40 HydrophobicContact CG-CG 3.69Å; P35-F43 HydrophobicContact CB-CD2 4.43Å; P35-F43 HydrophobicContact CB-CE2 3.82Å; P35-F43 HydrophobicContact CG-CE2 4.27Å
36	T	82.9	Confident	82.6	Confident	74 Å²	74	81 Å²	81	45%	0.454	42%	0.419	S	S	.	.			trans	-72.1	165.4	170.2	66.5	0	0	0	0	111.2	E38 Q39 Q40	T36-E38 VanDerWaalsContact C-N 3.29Å; T36-E38 PolarHBondContact O-N 3.06Å; T36-Q39 CarbonylContact O-C 3.58Å; T36-Q39 WeakPolarHBondContact O-CB 3.3Å; T36-Q39 PolarHBondContact O-N 3.05Å; T36-Q39 WeakPolarHBondContact OG1-CG 3.35Å; T36-Q39 PolarHBondContact OG1-N 3.5Å; T36-Q40 WeakPolarHBondContact O-CG 3.27Å; T36-Q40 PolarHBondContact O-N 3.36Å
37	S	75.2	Confident	82.5	Confident	98 Å²	98	79.3 Å²	79.3	69%	0.685	41%	0.41	S	S	*	.	H	α-helix	trans	-56	-43.1	177.3	-44.9	0	0	0	0	112.5	Q40 E41	S37-Q40 WeakPolarHBondContact O-CB 3.22Å; S37-Q40 PolarHBondContact O-N 2.8Å; S37-E41 PolarHBondContact O-N 3.45Å
38	E	74.6	Confident	82.3	Confident	138 Å²	138	77.2 Å²	77.2	65%	0.645	39%	0.394	S	S	*	.	H	α-helix	trans	-62.4	-40.8	174.9	-178.1	-173.4	-172	0	0	111.9	T36 E41 N42	T36-E38 VanDerWaalsContact C-N 3.29Å; T36-E38 PolarHBondContact O-N 3.06Å; E38-E41 PolarHBondContact O-N 3.18Å; E38-N42 WeakPolarHBondContact O-CB 3.43Å; E38-N42 PolarHBondContact O-N 3.1Å; E38-N42 PolarHBondContact O-ND2 3.4Å
39	Q	77.3	Confident	82.3	Confident	69 Å²	69	76.3 Å²	76.3	32%	0.322	39%	0.391	S	S	.	.	H	α-helix	trans	-66	-39.9	174	-73	172.6	-17.5	0	0	111.6	P35 T36 N42 F43	P35-Q39 VanDerWaalsContact CA-OE1 3.25Å; P35-Q39 HydrophobicContact CB-CB 3.76Å; T36-Q39 CarbonylContact O-C 3.58Å; T36-Q39 WeakPolarHBondContact O-CB 3.3Å; T36-Q39 PolarHBondContact O-N 3.05Å; T36-Q39 WeakPolarHBondContact OG1-CG 3.35Å; T36-Q39 PolarHBondContact OG1-N 3.5Å; Q39-N42 PolarHBondContact O-N 3.43Å; Q39-F43 HydrophobicContact CB-CE1 4.43Å; Q39-F43 HydrophobicContact CB-CE2 4.4Å; Q39-F43 HydrophobicContact CB-CZ 4.15Å; Q39-F43 WeakPolarHBondContact O-CB 3.39Å; Q39-F43 WeakPolarHBondContact O-CD1 3.41Å; Q39-F43 WeakPolarHBondContact O-CD2 3.36Å; Q39-F43 WeakPolarHBondContact O-CG 3.32Å; Q39-F43 PolarHBondContact O-N 3.18Å
40	Q	80.8	Confident	82.6	Confident	66 Å²	66	76.4 Å²	76.4	31%	0.308	39%	0.391	S	S	.	.	H	α-helix	trans	-63	-42.3	175.3	-69.7	-177.1	-46	0	0	111.9	P35 T36 S37 F43 N44 K101	P35-Q40 HydrophobicContact CB-CG 4.07Å; P35-Q40 HydrophobicContact CG-CG 3.69Å; T36-Q40 WeakPolarHBondContact O-CG 3.27Å; T36-Q40 PolarHBondContact O-N 3.36Å; S37-Q40 WeakPolarHBondContact O-CB 3.22Å; S37-Q40 PolarHBondContact O-N 2.8Å; Q40-F43 PolarHBondContact O-N 3.26Å; Q40-N44 VanDerWaalsContact O-CB 3.31Å; Q40-N44 WeakPolarHBondContact O-CB 3.43Å; Q40-N44 PolarHBondContact O-N 3.2Å; Q40-K101 PolarHBondContact NE2-O 2.86Å
41	E	76.7	Confident	82.8	Confident	137 Å²	137	73 Å²	73	64%	0.64	37%	0.373	S	S	*	.	H	α-helix	trans	-63.9	-44.8	176.3	-175.8	166.2	-153.8	0	0	112.1	S37 E38 F43 N44 T45	S37-E41 PolarHBondContact O-N 3.45Å; E38-E41 PolarHBondContact O-N 3.18Å; E41-F43 PolarHBondContact O-N 3.47Å; E41-N44 PolarHBondContact O-N 3.39Å; E41-T45 WeakPolarHBondContact O-CB 3.44Å; E41-T45 PolarHBondContact O-N 3.15Å; E41-T45 PolarHBondContact O-OG1 3.3Å
42	N	79.6	Confident	82.9	Confident	97 Å²	97	72 Å²	72	52%	0.519	36%	0.359	S	S	.	.	H	α-helix	trans	-61.4	-42.9	172.9	-81.6	-72.8	0	0	0	112.2	E38 Q39 T45 K46	E38-N42 WeakPolarHBondContact O-CB 3.43Å; E38-N42 PolarHBondContact O-N 3.1Å; E38-N42 PolarHBondContact O-ND2 3.4Å; Q39-N42 PolarHBondContact O-N 3.43Å; N42-T45 PolarHBondContact O-N 2.94Å; N42-K46 PolarHBondContact O-N 3.22Å
43	F	88.5	Confident	83.3	Confident	15 Å²	15	71.8 Å²	71.8	7%	0.066	36%	0.358	C	S	.	.	H	α-helix	trans	-66.5	-42	177.7	-62.7	-8.2	0	0	0	111.5	F25 F28 V29 H32 P35 Q39 Q40 E41 K46 A47 I102	F25-F43 HydrophobicContact CZ-CB 4.36Å; F25-F43 WeakPolarHBondContact CZ-O 3.38Å; F28-F43 HydrophobicContact CD1-CE1 4.35Å; F28-F43 AromaticContact CE1-CE1 3.7Å; F28-F43 HydrophobicContact CE1-CE1 3.7Å; F28-F43 HydrophobicContact CE1-CZ 4.08Å; V29-F43 HydrophobicContact CB-CD2 4.44Å; V29-F43 HydrophobicContact CG1-CD2 4.08Å; V29-F43 HydrophobicContact CG1-CE2 4.5Å; V29-F43 HydrophobicContact CG2-CB 4.24Å; V29-F43 HydrophobicContact CG2-CD1 4.38Å; V29-F43 HydrophobicContact CG2-CD2 3.89Å; V29-F43 HydrophobicContact CG2-CE2 4.32Å; V29-F43 HydrophobicContact CG2-CG 3.91Å; H32-F43 HydrophobicContact CB-CE2 4.33Å; H32-F43 AromaticContact CD2-CZ 3.94Å; H32-F43 AromaticContact CE1-CZ 3.97Å; H32-F43 AromaticContact CG-CZ 3.94Å; H32-F43 AromaticContact ND1-CZ 3.95Å; H32-F43 AromaticContact NE2-CZ 3.97Å; P35-F43 HydrophobicContact CB-CD2 4.43Å; P35-F43 HydrophobicContact CB-CE2 3.82Å; P35-F43 HydrophobicContact CG-CE2 4.27Å; Q39-F43 HydrophobicContact CB-CE1 4.43Å; Q39-F43 HydrophobicContact CB-CE2 4.4Å; Q39-F43 HydrophobicContact CB-CZ 4.15Å; Q39-F43 WeakPolarHBondContact O-CB 3.39Å; Q39-F43 WeakPolarHBondContact O-CD1 3.41Å; Q39-F43 WeakPolarHBondContact O-CD2 3.36Å; Q39-F43 WeakPolarHBondContact O-CG 3.32Å; Q39-F43 PolarHBondContact O-N 3.18Å; Q40-F43 PolarHBondContact O-N 3.26Å; E41-F43 PolarHBondContact O-N 3.47Å; F43-K46 PolarHBondContact O-N 3.06Å; F43-A47 WeakPolarHBondContact O-CB 3.46Å; F43-A47 PolarHBondContact O-N 2.75Å; F43-I102 HydrophobicContact CB-CB 4.08Å; F43-I102 HydrophobicContact CB-CD1 4.21Å; F43-I102 HydrophobicContact CB-CG2 3.8Å; F43-I102 HydrophobicContact CD2-CG2 3.83Å; F43-I102 HydrophobicContact CG-CG2 4.33Å
44	N	83.5	Confident	84.1	Confident	38 Å²	38	62 Å²	62	20%	0.203	32%	0.316	C	S	.	.	H	α-helix	trans	-63.7	-45.3	177.6	-162.1	-37	0	0	0	110.3	Q40 E41 K46 A47 V48 I102 T104	Q40-N44 VanDerWaalsContact O-CB 3.31Å; Q40-N44 WeakPolarHBondContact O-CB 3.43Å; Q40-N44 PolarHBondContact O-N 3.2Å; E41-N44 PolarHBondContact O-N 3.39Å; N44-K46 PolarHBondContact O-N 3.32Å; N44-A47 PolarHBondContact O-N 2.84Å; N44-A47 VanDerWaalsContact O-N 3.16Å; N44-V48 WeakPolarHBondContact O-CG2 2.88Å; N44-V48 PolarHBondContact O-N 3.06Å; N44-I102 HydrophobicContact CB-CD1 4.48Å; N44-T104 PolarHBondContact ND2-O 2.84Å
45	T	83.3	Confident	84.6	Confident	71 Å²	71	54.2 Å²	54.2	44%	0.436	28%	0.283	S	S	.	.	H	α-helix	trans	-55.5	-46.4	174.5	-59.1	0	0	0	0	112.1	E41 N42 V48 Q49	E41-T45 WeakPolarHBondContact O-CB 3.44Å; E41-T45 PolarHBondContact O-N 3.15Å; E41-T45 PolarHBondContact O-OG1 3.3Å; N42-T45 PolarHBondContact O-N 2.94Å; T45-V48 PolarHBondContact O-N 3.38Å; T45-Q49 WeakPolarHBondContact O-CG 3.43Å; T45-Q49 PolarHBondContact O-N 3.02Å; T45-Q49 VanDerWaalsContact O-N 3.1Å
46	K	87.4	Confident	85.2	Confident	51 Å²	51	59.6 Å²	59.6	22%	0.222	30%	0.301	C	S	.	.	H	α-helix	trans	-70.7	-34.8	178	-169.9	54.5	169.2	175.2	0	112.9	F25 N42 F43 N44 Q49 F50 D289	F25-K46 HydrophobicContact CD2-CG 4.03Å; F25-K46 HydrophobicContact CE2-CB 3.87Å; F25-K46 HydrophobicContact CE2-CG 3.86Å; F25-K46 HydrophobicContact CZ-CB 4.18Å; F25-K46 HydrophobicContact CZ-CG 4.43Å; N42-K46 PolarHBondContact O-N 3.22Å; F43-K46 PolarHBondContact O-N 3.06Å; N44-K46 PolarHBondContact O-N 3.32Å; K46-Q49 VanDerWaalsContact CD-OE1 3.27Å; K46-Q49 PolarHBondContact O-N 3.07Å; K46-F50 HydrophobicContact CD-CE2 4.13Å; K46-F50 HydrophobicContact CD-CZ 4.46Å; K46-F50 HydrophobicContact CG-CD2 4.27Å; K46-F50 HydrophobicContact CG-CE2 3.81Å; K46-F50 VanDerWaalsContact O-CD2 3.24Å; K46-F50 WeakPolarHBondContact O-CD2 3.48Å; K46-F50 PolarHBondContact O-N 3.26Å; K46-D289 WeakPolarHBondContact CE-O 3.41Å; K46-D289 PolarHBondContact NZ-O 2.92Å
47	A	88.8	Confident	85.6	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.9	-42	173.3	0	0	0	0	0	111.9	F25 F43 N44 F50 L51 I102 I105	F25-A47 HydrophobicContact CE1-CB 3.98Å; F25-A47 HydrophobicContact CZ-CB 4.21Å; F43-A47 WeakPolarHBondContact O-CB 3.46Å; F43-A47 PolarHBondContact O-N 2.75Å; N44-A47 PolarHBondContact O-N 2.84Å; N44-A47 VanDerWaalsContact O-N 3.16Å; A47-F50 PolarHBondContact O-N 3.39Å; A47-L51 WeakPolarHBondContact O-CG 3.47Å; A47-L51 PolarHBondContact O-N 3.09Å; A47-I102 HydrophobicContact CB-CD1 3.95Å; A47-I105 HydrophobicContact CB-CD1 3.95Å; A47-I105 HydrophobicContact CB-CG1 4.44Å
48	V	86.5	Confident	86.4	Confident	39 Å²	39	52.5 Å²	52.5	24%	0.236	25%	0.252	C	S	.	.	H	α-helix	trans	-60.8	-43.1	174.1	168.5	0	0	0	0	111.4	N44 T45 F50 L51 E52 I105 V107	N44-V48 WeakPolarHBondContact O-CG2 2.88Å; N44-V48 PolarHBondContact O-N 3.06Å; T45-V48 PolarHBondContact O-N 3.38Å; V48-F50 PolarHBondContact O-N 2.95Å; V48-L51 PolarHBondContact O-N 2.95Å; V48-E52 PolarHBondContact O-N 3.49Å; V48-I105 HydrophobicContact CG2-CG2 4.08Å; V48-V107 HydrophobicContact CG1-CG2 4.15Å; V48-V107 HydrophobicContact CG2-CG2 4.03Å
49	Q	87.4	Confident	87.1	Confident	80 Å²	80	48.6 Å²	48.6	37%	0.374	24%	0.236	S	C	.	.	H	α-helix	trans	-57.9	-45.3	175.8	-71.8	172.4	7.7	0	0	112.2	T45 K46 E52 E53	T45-Q49 WeakPolarHBondContact O-CG 3.43Å; T45-Q49 PolarHBondContact O-N 3.02Å; T45-Q49 VanDerWaalsContact O-N 3.1Å; K46-Q49 VanDerWaalsContact CD-OE1 3.27Å; K46-Q49 PolarHBondContact O-N 3.07Å; Q49-E52 PolarHBondContact O-N 2.97Å; Q49-E53 PolarHBondContact O-N 3.35Å
50	F	92.9	Very high	87.7	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.009	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-37.1	176	-72.7	-54.7	0	0	0	112.8	T18 Q21 I22 F25 K46 A47 V48 E53 L54 L95	T18-F50 HydrophobicContact CG2-CD1 4.37Å; Q21-F50 HydrophobicContact CB-CE1 3.83Å; Q21-F50 HydrophobicContact CB-CZ 4.11Å; I22-F50 HydrophobicContact CD1-CB 4.15Å; I22-F50 HydrophobicContact CD1-CD1 4.36Å; I22-F50 HydrophobicContact CD1-CG 4.37Å; I22-F50 HydrophobicContact CG1-CB 3.99Å; I22-F50 HydrophobicContact CG1-CD1 3.73Å; I22-F50 HydrophobicContact CG1-CD2 4.18Å; I22-F50 HydrophobicContact CG1-CE1 4.2Å; I22-F50 HydrophobicContact CG1-CG 3.72Å; F25-F50 HydrophobicContact CB-CE2 3.69Å; F25-F50 HydrophobicContact CB-CZ 4.3Å; F25-F50 HydrophobicContact CD1-CD2 4.03Å; F25-F50 AromaticContact CD1-CE2 3.89Å; F25-F50 HydrophobicContact CD1-CE2 3.89Å; F25-F50 HydrophobicContact CD2-CE2 4.18Å; F25-F50 HydrophobicContact CE1-CD2 4.49Å; F25-F50 HydrophobicContact CG-CD2 4.26Å; F25-F50 AromaticContact CG-CE2 3.64Å; F25-F50 HydrophobicContact CG-CE2 3.64Å; K46-F50 HydrophobicContact CD-CE2 4.13Å; K46-F50 HydrophobicContact CD-CZ 4.46Å; K46-F50 HydrophobicContact CG-CD2 4.27Å; K46-F50 HydrophobicContact CG-CE2 3.81Å; K46-F50 VanDerWaalsContact O-CD2 3.24Å; K46-F50 WeakPolarHBondContact O-CD2 3.48Å; K46-F50 PolarHBondContact O-N 3.26Å; A47-F50 PolarHBondContact O-N 3.39Å; V48-F50 PolarHBondContact O-N 2.95Å; F50-E53 PolarHBondContact O-N 2.84Å; F50-L54 WeakPolarHBondContact O-CG 3.47Å; F50-L54 PolarHBondContact O-N 2.88Å; F50-L95 HydrophobicContact CB-CD1 3.72Å; F50-L95 HydrophobicContact CB-CD2 4.49Å; F50-L95 HydrophobicContact CD2-CD2 4.46Å
51	L	90.7	Very high	88.1	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.016	23%	0.225	C	C	.	.	H	α-helix	trans	-66.7	-39.3	175.2	-70	177.4	0	0	0	112.4	A47 V48 E53 L54 N55 T92 L95 I105 V107	A47-L51 WeakPolarHBondContact O-CG 3.47Å; A47-L51 PolarHBondContact O-N 3.09Å; V48-L51 PolarHBondContact O-N 2.95Å; L51-E53 VanDerWaalsContact C-N 3.28Å; L51-E53 PolarHBondContact O-N 2.93Å; L51-L54 HydrophobicContact CD2-CD1 4.47Å; L51-L54 PolarHBondContact O-N 2.81Å; L51-N55 VanDerWaalsContact O-CG 3.24Å; L51-N55 PolarHBondContact O-N 3.1Å; L51-N55 PolarHBondContact O-ND2 2.89Å; L51-T92 HydrophobicContact CD2-CG2 3.65Å; L51-L95 HydrophobicContact CD2-CB 4.07Å; L51-L95 HydrophobicContact CD2-CD1 3.73Å; L51-L95 HydrophobicContact CG-CB 4.48Å; L51-L95 HydrophobicContact CG-CD1 4.05Å; L51-I105 HydrophobicContact CD1-CG2 3.51Å; L51-V107 HydrophobicContact CB-CB 4.49Å; L51-V107 HydrophobicContact CB-CG1 4.27Å; L51-V107 HydrophobicContact CD1-CB 3.94Å
52	E	88	Confident	88.6	Confident	65 Å²	65	43.6 Å²	43.6	30%	0.304	22%	0.215	S	C	.	.	H	α-helix	trans	-65.9	-31	173.1	-69.4	-164.4	155.9	0	0	112.5	V48 Q49 R56 K453	V48-E52 PolarHBondContact O-N 3.49Å; Q49-E52 PolarHBondContact O-N 2.97Å; E52-R56 WeakPolarHBondContact O-CG 3.36Å; E52-R56 PolarHBondContact O-N 3.29Å; E52-R56 VanDerWaalsContact O-N 3.13Å; E52-K453 IonicContact OE1-NZ 2.68Å; E52-K453 PolarHBondContact OE1-NZ 2.82Å
53	E	91.1	Very high	88.8	Confident	38 Å²	38	46.1 Å²	46.1	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-73.1	-44.4	174.8	-159.4	-172.3	140.5	0	0	113	T18 Q49 F50 L51 N55 R56 H57	T18-E53 WeakPolarHBondContact CB-OE1 3.47Å; T18-E53 HydrophobicContact CG2-CB 4.5Å; T18-E53 HydrophobicContact CG2-CG 4.28Å; T18-E53 WeakPolarHBondContact CG2-OE1 3.31Å; T18-E53 PolarHBondContact OG1-OE1 2.92Å; Q49-E53 PolarHBondContact O-N 3.35Å; F50-E53 PolarHBondContact O-N 2.84Å; L51-E53 VanDerWaalsContact C-N 3.28Å; L51-E53 PolarHBondContact O-N 2.93Å; E53-N55 PolarHBondContact O-N 3.32Å; E53-R56 WeakPolarHBondContact O-CB 3.38Å; E53-R56 PolarHBondContact O-N 3.03Å; E53-H57 PolarHBondContact O-CD2 2.83Å; E53-H57 PolarHBondContact O-N 2.77Å; E53-H57 IonicContact OE1-NE2 2.86Å; E53-H57 PolarHBondContact OE1-NE2 3.3Å
54	L	93.1	Very high	88.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-37.1	172.3	-74	178	0	0	0	111.9	L15 T18 I22 F50 L51 H57 A58 I88 L91 T92 L95	L15-L54 HydrophobicContact CD1-CD2 3.91Å; T18-L54 HydrophobicContact CG2-CD2 4.45Å; I22-L54 HydrophobicContact CD1-CD1 3.84Å; I22-L54 HydrophobicContact CD1-CD2 4.13Å; I22-L54 HydrophobicContact CD1-CG 4.05Å; F50-L54 WeakPolarHBondContact O-CG 3.47Å; F50-L54 PolarHBondContact O-N 2.88Å; L51-L54 HydrophobicContact CD2-CD1 4.47Å; L51-L54 PolarHBondContact O-N 2.81Å; L54-H57 PolarHBondContact O-N 3.02Å; L54-A58 WeakPolarHBondContact O-CB 3.48Å; L54-A58 PolarHBondContact O-N 3.43Å; L54-I88 HydrophobicContact CB-CG2 4.06Å; L54-I88 HydrophobicContact CD2-CG1 4.34Å; L54-I88 HydrophobicContact CD2-CG2 4.28Å; L54-L91 HydrophobicContact CD1-CB 3.79Å; L54-L91 HydrophobicContact CD2-CB 4.17Å; L54-L91 HydrophobicContact CD2-CD1 4.01Å; L54-T92 WeakPolarHBondContact CD1-OG1 3.5Å; L54-L95 HydrophobicContact CD1-CD1 3.98Å
55	N	89.3	Confident	87.8	Confident	34 Å²	34	52.4 Å²	52.4	18%	0.182	25%	0.25	C	C	.	.	H	α-helix	trans	-62.8	-46.5	171.5	-72.4	-19.6	0	0	0	111.9	L51 E53 H57 A58 D59 L109	L51-N55 VanDerWaalsContact O-CG 3.24Å; L51-N55 PolarHBondContact O-N 3.1Å; L51-N55 PolarHBondContact O-ND2 2.89Å; E53-N55 PolarHBondContact O-N 3.32Å; N55-H57 VanDerWaalsContact C-N 3.32Å; N55-H57 PolarHBondContact O-N 3.34Å; N55-A58 PolarHBondContact O-N 3.47Å; N55-D59 PolarHBondContact O-N 3.14Å; N55-L109 WeakPolarHBondContact OD1-CD2 3.21Å
56	R	91	Very high	86.7	Confident	136 Å²	136	53.6 Å²	53.6	51%	0.513	25%	0.25	S	S	.	.	H	α-helix	trans	-57.8	-42.6	176.3	-72.9	-176.5	-66.5	-95.2	6.5	111.9	E52 E53 T60	E52-R56 WeakPolarHBondContact O-CG 3.36Å; E52-R56 PolarHBondContact O-N 3.29Å; E52-R56 VanDerWaalsContact O-N 3.13Å; E53-R56 WeakPolarHBondContact O-CB 3.38Å; E53-R56 PolarHBondContact O-N 3.03Å; R56-T60 WeakPolarHBondContact O-CB 3.23Å; R56-T60 PolarHBondContact O-N 3Å; R56-T60 PolarHBondContact O-OG1 3.13Å
57	H	91.1	Very high	85.2	Confident	19 Å²	19	55.3 Å²	55.3	9%	0.088	26%	0.262	C	S	.	.	H	α-helix	trans	-64.5	-45.1	175.4	-65.1	-38.6	0	0	0	111.7	T18 E53 L54 N55 D59 T60 I61 I88	T18-H57 PolarHBondContact OG1-NE2 2.83Å; E53-H57 PolarHBondContact O-CD2 2.83Å; E53-H57 PolarHBondContact O-N 2.77Å; E53-H57 IonicContact OE1-NE2 2.86Å; E53-H57 PolarHBondContact OE1-NE2 3.3Å; L54-H57 PolarHBondContact O-N 3.02Å; N55-H57 VanDerWaalsContact C-N 3.32Å; N55-H57 PolarHBondContact O-N 3.34Å; H57-D59 PolarHBondContact O-N 3.38Å; H57-T60 PolarHBondContact O-N 2.84Å; H57-I61 VanDerWaalsContact O-CG1 3.32Å; H57-I61 WeakPolarHBondContact O-CG1 3.42Å; H57-I61 PolarHBondContact O-N 3.37Å; H57-I88 HydrophobicContact CB-CD1 3.84Å
58	A	92	Very high	83.7	Confident	4 Å²	4	65 Å²	65	3%	0.033	30%	0.304	C	S	.	.	H	α-helix	trans	-61.2	-45.2	179.2	0	0	0	0	0	112.6	L54 N55 I61 K62 L85 I88	L54-A58 WeakPolarHBondContact O-CB 3.48Å; L54-A58 PolarHBondContact O-N 3.43Å; N55-A58 PolarHBondContact O-N 3.47Å; A58-I61 PolarHBondContact O-N 3.1Å; A58-K62 WeakPolarHBondContact O-CG 3.33Å; A58-K62 PolarHBondContact O-N 3.26Å; A58-L85 HydrophobicContact CB-CD2 4.05Å; A58-I88 HydrophobicContact CB-CD1 4.01Å; A58-I88 HydrophobicContact CB-CG2 4.35Å
59	D	89.4	Confident	82.2	Confident	56 Å²	56	70.6 Å²	70.6	30%	0.299	33%	0.333	S	S	.	.	H	α-helix	trans	-70.4	-33.3	178.6	-68.9	-23.4	0	0	0	112.1	N55 H57 K62 Q63	N55-D59 PolarHBondContact O-N 3.14Å; H57-D59 PolarHBondContact O-N 3.38Å; D59-K62 PolarHBondContact O-N 3.01Å; D59-K62 WeakPolarHBondContact OD1-CE 3.41Å; D59-K62 IonicContact OD1-NZ 2.75Å; D59-K62 PolarHBondContact OD1-NZ 2.98Å; D59-Q63 VanDerWaalsContact O-CG 3.29Å; D59-Q63 WeakPolarHBondContact O-CG 3.47Å; D59-Q63 PolarHBondContact O-N 3.2Å
60	T	89.7	Confident	80.6	Confident	65 Å²	65	69.5 Å²	69.5	40%	0.399	33%	0.331	S	S	.	.	H	α-helix	trans	-60.3	-46.7	170	-55.2	0	0	0	0	110.8	V11 R56 H57 K62 Q63 I64	V11-T60 HydrophobicContact CG2-CG2 3.7Å; R56-T60 WeakPolarHBondContact O-CB 3.23Å; R56-T60 PolarHBondContact O-N 3Å; R56-T60 PolarHBondContact O-OG1 3.13Å; H57-T60 PolarHBondContact O-N 2.84Å; T60-K62 PolarHBondContact O-N 3.4Å; T60-Q63 PolarHBondContact O-N 3.43Å; T60-I64 WeakPolarHBondContact O-CG1 3.43Å; T60-I64 PolarHBondContact O-N 2.98Å
61	I	90	Very high	78.9	Confident	1 Å²	1	77.3 Å²	77.3	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-59.2	-46.4	177	-64.7	157.7	0	0	0	111	V11 H57 A58 Q63 I64 K81 L84 L85 I88	V11-I61 HydrophobicContact CG1-CD1 4.13Å; V11-I61 HydrophobicContact CG1-CG1 3.72Å; H57-I61 VanDerWaalsContact O-CG1 3.32Å; H57-I61 WeakPolarHBondContact O-CG1 3.42Å; H57-I61 PolarHBondContact O-N 3.37Å; A58-I61 PolarHBondContact O-N 3.1Å; I61-Q63 VanDerWaalsContact C-N 3.27Å; I61-Q63 PolarHBondContact O-N 3.01Å; I61-I64 PolarHBondContact O-N 3.31Å; I61-K81 HydrophobicContact CG2-CB 3.83Å; I61-K81 HydrophobicContact CG2-CG 4.02Å; I61-K81 WeakPolarHBondContact O-CE 3.41Å; I61-L84 HydrophobicContact CD1-CB 3.58Å; I61-L84 HydrophobicContact CD1-CD1 4.22Å; I61-L84 HydrophobicContact CG1-CB 4.45Å; I61-L84 HydrophobicContact CG1-CD1 4.33Å; I61-L85 HydrophobicContact CB-CD2 4.29Å; I61-L85 HydrophobicContact CD1-CD2 4.21Å; I61-L85 HydrophobicContact CG2-CD1 4.27Å; I61-L85 HydrophobicContact CG2-CD2 4.26Å; I61-L85 HydrophobicContact CG2-CG 4.02Å; I61-I88 HydrophobicContact CD1-CD1 3.55Å
62	K	87.5	Confident	77.5	Confident	101 Å²	101	85 Å²	85	44%	0.439	41%	0.409	S	S	.	.	H	α-helix	trans	-56.1	-42.9	177.4	-68.3	170.4	-163.4	163.9	0	111.5	A58 D59 T60 I64	A58-K62 WeakPolarHBondContact O-CG 3.33Å; A58-K62 PolarHBondContact O-N 3.26Å; D59-K62 PolarHBondContact O-N 3.01Å; D59-K62 WeakPolarHBondContact OD1-CE 3.41Å; D59-K62 IonicContact OD1-NZ 2.75Å; D59-K62 PolarHBondContact OD1-NZ 2.98Å; T60-K62 PolarHBondContact O-N 3.4Å; K62-I64 VanDerWaalsContact C-N 3.32Å; K62-I64 PolarHBondContact O-N 3.28Å
63	Q	84	Confident	76.3	Confident	151 Å²	151	88 Å²	88	71%	0.706	42%	0.423	S	S	*	.	H	α-helix	trans	-72.6	-13.4	-176.3	-72.4	178.9	34.7	0	0	115.3	D59 T60 I61 K65	D59-Q63 VanDerWaalsContact O-CG 3.29Å; D59-Q63 WeakPolarHBondContact O-CG 3.47Å; D59-Q63 PolarHBondContact O-N 3.2Å; T60-Q63 PolarHBondContact O-N 3.43Å; I61-Q63 VanDerWaalsContact C-N 3.27Å; I61-Q63 PolarHBondContact O-N 3.01Å; Q63-K65 PolarHBondContact O-N 3.46Å
64	I	83.9	Confident	75.2	Confident	5 Å²	5	89 Å²	89	3%	0.026	43%	0.43	C	S	.	.	S	Bend	trans	-62.5	106.9	176.5	-60.5	178	0	0	0	109.3	A4 Q7 I8 T60 I61 K62 K81	A4-I64 HydrophobicContact CB-CG2 3.9Å; Q7-I64 HydrophobicContact CB-CD1 4Å; Q7-I64 HydrophobicContact CB-CG1 4.33Å; I8-I64 HydrophobicContact CG1-CD1 3.58Å; T60-I64 WeakPolarHBondContact O-CG1 3.43Å; T60-I64 PolarHBondContact O-N 2.98Å; I61-I64 PolarHBondContact O-N 3.31Å; K62-I64 VanDerWaalsContact C-N 3.32Å; K62-I64 PolarHBondContact O-N 3.28Å; I64-K81 PolarHBondContact O-NZ 2.77Å
65	K	67.3	Low	74.5	Confident	179 Å²	179	93.7 Å²	93.7	78%	0.778	46%	0.46	S	S	*	.			trans	-65.4	137.5	-172.2	-71.5	-177.4	178	176.2	0	112.2	Q63	Q63-K65 PolarHBondContact O-N 3.46Å
66	Q	60	Low	74	Confident	97 Å²	97	99.5 Å²	99.5	45%	0.453	48%	0.483	S	S	.	.			trans	-83.2	117.9	167.2	-64.8	173.4	-15.3	0	0	109.9	K68 L74 E78	Q66-K68 PolarHBondContact O-N 3.32Å; Q66-L74 HydrophobicContact CB-CD1 4.09Å; Q66-L74 HydrophobicContact CG-CD1 3.81Å; Q66-E78 PolarHBondContact NE2-OE2 3.29Å
67	D	55.3	Low	73.5	Confident	86 Å²	86	93.5 Å²	93.5	46%	0.46	46%	0.462	S	S	.	.			trans	-68.7	113.2	166.1	-75.2	-44.6	0	0	0	109.2	M1 N69 T70	M1-D67 PolarHBondContact N-OD2 2.91Å; D67-N69 PolarHBondContact O-N 3.06Å; D67-T70 PolarHBondContact O-N 2.82Å; D67-T70 PolarHBondContact O-OG1 3.03Å
68	K	56.8	Low	73.2	Confident	203 Å²	203	94.9 Å²	94.9	88%	0.883	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-9.8	-176.3	-69	-171	176.1	-175.6	0	115	Q66	Q66-K68 PolarHBondContact O-N 3.32Å
69	N	55.4	Low	72.9	Confident	158 Å²	158	97.6 Å²	97.6	85%	0.845	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	10.7	-174.2	-67.9	0.2	0	0	0	114.3	D67	D67-N69 PolarHBondContact O-N 3.06Å
70	T	54.2	Low	72.9	Confident	56 Å²	56	97.4 Å²	97.4	34%	0.344	49%	0.485	S	S	.	.			trans	-128.9	58.5	-177	35.1	0	0	0	0	114	M1 D67 N72 Q73 L74	M1-T70 HydrophobicContact CG-CG2 4.02Å; M1-T70 WeakPolarHBondContact CG-OG1 3.37Å; D67-T70 PolarHBondContact O-N 2.82Å; D67-T70 PolarHBondContact O-OG1 3.03Å; T70-N72 PolarHBondContact O-N 3.27Å; T70-Q73 PolarHBondContact O-N 2.89Å; T70-L74 PolarHBondContact O-N 3.4Å
71	E	57.5	Low	73	Confident	167 Å²	167	94.9 Å²	94.9	78%	0.78	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-52.4	-44.9	-177	-159.6	165.1	-139.2	0	0	113.6	Q73 L74	E71-Q73 VanDerWaalsContact C-N 3.28Å; E71-Q73 PolarHBondContact O-N 3.08Å; E71-Q73 VanDerWaalsContact O-N 3.14Å; E71-L74 PolarHBondContact O-N 3.31Å
72	N	60.8	Low	73	Confident	164 Å²	164	99 Å²	99	88%	0.877	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-70.7	-5.9	-174.1	-74.6	-23.9	0	0	0	116.6	T70	T70-N72 PolarHBondContact O-N 3.27Å
73	Q	63.8	Low	73.2	Confident	127 Å²	127	100.4 Å²	100.4	59%	0.593	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-126	-4.4	175.9	-66.1	-166.8	15.1	0	0	114.2	M1 T70 E71 P75 K76 L77	M1-Q73 HydrophobicContact CE-CB 4.16Å; T70-Q73 PolarHBondContact O-N 2.89Å; E71-Q73 VanDerWaalsContact C-N 3.28Å; E71-Q73 PolarHBondContact O-N 3.08Å; E71-Q73 VanDerWaalsContact O-N 3.14Å; Q73-P75 VanDerWaalsContact C-CD 3.42Å; Q73-K76 PolarHBondContact O-N 2.99Å; Q73-K76 VanDerWaalsContact O-N 3.13Å; Q73-L77 PolarHBondContact O-N 3.21Å
74	L	67.6	Low	73.6	Confident	61 Å²	61	93.8 Å²	93.8	32%	0.319	47%	0.468	S	S	.	.	H	α-helix	trans	-52.2	-42.2	179.3	-170	66.2	0	0	0	113.9	Q66 T70 E71 K76 L77 E78	Q66-L74 HydrophobicContact CB-CD1 4.09Å; Q66-L74 HydrophobicContact CG-CD1 3.81Å; T70-L74 PolarHBondContact O-N 3.4Å; E71-L74 PolarHBondContact O-N 3.31Å; L74-K76 VanDerWaalsContact C-N 3.28Å; L74-K76 PolarHBondContact O-N 2.91Å; L74-L77 PolarHBondContact O-N 3.21Å; L74-E78 PolarHBondContact O-N 3.04Å; L74-E78 VanDerWaalsContact O-N 3.1Å
75	P	77	Confident	74	Confident	98 Å²	98	96.1 Å²	96.1	64%	0.636	48%	0.48	S	S	*	.	H	α-helix	trans	-63	-31.3	-179.7	-23.2	34.9	0	0	0	113.9	Q73 S79	Q73-P75 VanDerWaalsContact C-CD 3.42Å; P75-S79 VanDerWaalsContact O-CB 3.32Å; P75-S79 WeakPolarHBondContact O-CB 3.5Å; P75-S79 PolarHBondContact O-N 3.36Å
76	K	79.9	Confident	75.3	Confident	155 Å²	155	92 Å²	92	67%	0.674	47%	0.47	S	S	*	.	H	α-helix	trans	-74.4	-37.6	-180	-170.4	172	-177.8	176.1	0	111.5	Q73 L74 M80	Q73-K76 PolarHBondContact O-N 2.99Å; Q73-K76 VanDerWaalsContact O-N 3.13Å; L74-K76 VanDerWaalsContact C-N 3.28Å; L74-K76 PolarHBondContact O-N 2.91Å; K76-M80 WeakPolarHBondContact O-CG 3.4Å; K76-M80 PolarHBondContact O-N 3.25Å
77	L	80.9	Confident	76.9	Confident	11 Å²	11	90.9 Å²	90.9	6%	0.058	46%	0.461	C	S	.	.	H	α-helix	trans	-64.6	-47.3	174.9	-166.9	75.9	0	0	0	110.8	M1 A4 I8 Q73 L74 S79 M80 K81	M1-L77 HydrophobicContact SD-CD2 4.41Å; A4-L77 HydrophobicContact CB-CD1 4.48Å; A4-L77 HydrophobicContact CB-CD2 4.48Å; I8-L77 HydrophobicContact CD1-CD1 3.52Å; I8-L77 HydrophobicContact CD1-CG 4.07Å; Q73-L77 PolarHBondContact O-N 3.21Å; L74-L77 PolarHBondContact O-N 3.21Å; L77-S79 VanDerWaalsContact C-N 3.35Å; L77-S79 PolarHBondContact O-N 3Å; L77-M80 PolarHBondContact O-N 3.34Å; L77-M80 VanDerWaalsContact O-N 3.14Å; L77-K81 PolarHBondContact O-N 2.98Å
78	E	83.6	Confident	78.7	Confident	48 Å²	48	87 Å²	87	22%	0.224	44%	0.44	C	S	.	.	H	α-helix	trans	-69.2	-33.3	-179.3	-142.4	62.2	-138.7	0	0	112.2	Q66 L74 M80 K81 N82	Q66-E78 PolarHBondContact NE2-OE2 3.29Å; L74-E78 PolarHBondContact O-N 3.04Å; L74-E78 VanDerWaalsContact O-N 3.1Å; E78-M80 VanDerWaalsContact C-N 3.29Å; E78-M80 PolarHBondContact O-N 2.9Å; E78-K81 PolarHBondContact O-N 3.46Å; E78-K81 WeakPolarHBondContact OE1-CD 3.39Å; E78-K81 WeakPolarHBondContact OE1-CE 3.48Å; E78-K81 IonicContact OE1-NZ 3.28Å; E78-K81 PolarHBondContact OE1-NZ 2.85Å; E78-K81 VanDerWaalsContact OE1-NZ 3.08Å; E78-K81 IonicContact OE2-NZ 3.58Å; E78-N82 WeakPolarHBondContact O-CB 3.2Å; E78-N82 VanDerWaalsContact O-CG 3.27Å; E78-N82 PolarHBondContact O-N 3.05Å; E78-N82 PolarHBondContact O-ND2 2.96Å
79	S	86.6	Confident	80.4	Confident	60 Å²	60	80.2 Å²	80.2	42%	0.42	42%	0.419	S	S	.	.	H	α-helix	trans	-59.4	-37.6	170.1	-174.3	0	0	0	0	112.7	P75 L77 Q83	P75-S79 VanDerWaalsContact O-CB 3.32Å; P75-S79 WeakPolarHBondContact O-CB 3.5Å; P75-S79 PolarHBondContact O-N 3.36Å; L77-S79 VanDerWaalsContact C-N 3.35Å; L77-S79 PolarHBondContact O-N 3Å; S79-Q83 VanDerWaalsContact O-CG 3.32Å; S79-Q83 WeakPolarHBondContact O-CG 3.4Å; S79-Q83 PolarHBondContact O-N 3.47Å; S79-Q83 VanDerWaalsContact O-N 3.13Å
80	M	88.9	Confident	82.2	Confident	52 Å²	52	75.9 Å²	75.9	26%	0.256	40%	0.398	S	S	.	.	H	α-helix	trans	-71.8	-42.5	176.9	-68.6	171	67.6	0	0	111.3	I8 K76 L77 E78 N82 Q83 L84	I8-M80 HydrophobicContact CD1-CB 4.29Å; I8-M80 HydrophobicContact CG2-CB 4.3Å; I8-M80 HydrophobicContact CG2-CE 3.89Å; K76-M80 WeakPolarHBondContact O-CG 3.4Å; K76-M80 PolarHBondContact O-N 3.25Å; L77-M80 PolarHBondContact O-N 3.34Å; L77-M80 VanDerWaalsContact O-N 3.14Å; E78-M80 VanDerWaalsContact C-N 3.29Å; E78-M80 PolarHBondContact O-N 2.9Å; M80-N82 PolarHBondContact O-N 2.96Å; M80-Q83 PolarHBondContact O-N 3.28Å; M80-L84 PolarHBondContact O-N 2.91Å
81	K	91.2	Very high	84	Confident	13 Å²	13	73.5 Å²	73.5	6%	0.057	38%	0.383	C	S	.	.	H	α-helix	trans	-57.9	-46.6	174	-68.6	176.5	59.9	-179	0	111.6	I8 I61 I64 L77 E78 L84 L85	I8-K81 HydrophobicContact CD1-CG 3.84Å; I61-K81 HydrophobicContact CG2-CB 3.83Å; I61-K81 HydrophobicContact CG2-CG 4.02Å; I61-K81 WeakPolarHBondContact O-CE 3.41Å; I64-K81 PolarHBondContact O-NZ 2.77Å; L77-K81 PolarHBondContact O-N 2.98Å; E78-K81 PolarHBondContact O-N 3.46Å; E78-K81 WeakPolarHBondContact OE1-CD 3.39Å; E78-K81 WeakPolarHBondContact OE1-CE 3.48Å; E78-K81 IonicContact OE1-NZ 3.28Å; E78-K81 PolarHBondContact OE1-NZ 2.85Å; E78-K81 VanDerWaalsContact OE1-NZ 3.08Å; E78-K81 IonicContact OE2-NZ 3.58Å; K81-L84 PolarHBondContact O-N 3.27Å; K81-L85 WeakPolarHBondContact O-CG 3.47Å; K81-L85 PolarHBondContact O-N 3.47Å
82	N	90	Very high	85.7	Confident	86 Å²	86	65.8 Å²	65.8	46%	0.46	35%	0.348	S	S	.	.	H	α-helix	trans	-64.6	-41.1	179.6	-71.8	-23.4	0	0	0	112.6	E78 M80 L84 L85 T86	E78-N82 WeakPolarHBondContact O-CB 3.2Å; E78-N82 VanDerWaalsContact O-CG 3.27Å; E78-N82 PolarHBondContact O-N 3.05Å; E78-N82 PolarHBondContact O-ND2 2.96Å; M80-N82 PolarHBondContact O-N 2.96Å; N82-L84 VanDerWaalsContact C-N 3.33Å; N82-L84 PolarHBondContact O-N 3.5Å; N82-L85 PolarHBondContact O-N 2.96Å; N82-T86 PolarHBondContact O-N 3.38Å; N82-T86 PolarHBondContact O-OG1 3.21Å
83	Q	92.5	Very high	87.1	Confident	131 Å²	131	61.9 Å²	61.9	61%	0.612	33%	0.327	S	S	*	.	H	α-helix	trans	-58.7	-42.1	174.9	-78.6	173.7	-17.6	0	0	112.6	S79 M80 R87	S79-Q83 VanDerWaalsContact O-CG 3.32Å; S79-Q83 WeakPolarHBondContact O-CG 3.4Å; S79-Q83 PolarHBondContact O-N 3.47Å; S79-Q83 VanDerWaalsContact O-N 3.13Å; M80-Q83 PolarHBondContact O-N 3.28Å; Q83-R87 WeakPolarHBondContact O-CB 3.41Å; Q83-R87 PolarHBondContact O-N 2.59Å
84	L	92.8	Very high	88.4	Confident	13 Å²	13	60.9 Å²	60.9	7%	0.068	32%	0.32	C	S	.	.	H	α-helix	trans	-67.3	-41	176.1	-65.6	176	0	0	0	112.3	I8 T12 L15 I61 M80 K81 N82 R87 I88	I8-L84 HydrophobicContact CG2-CD1 3.88Å; T12-L84 HydrophobicContact CG2-CD2 4.09Å; L15-L84 HydrophobicContact CD2-CB 4.38Å; L15-L84 HydrophobicContact CD2-CD2 3.92Å; I61-L84 HydrophobicContact CD1-CB 3.58Å; I61-L84 HydrophobicContact CD1-CD1 4.22Å; I61-L84 HydrophobicContact CG1-CB 4.45Å; I61-L84 HydrophobicContact CG1-CD1 4.33Å; M80-L84 PolarHBondContact O-N 2.91Å; K81-L84 PolarHBondContact O-N 3.27Å; N82-L84 VanDerWaalsContact C-N 3.33Å; N82-L84 PolarHBondContact O-N 3.5Å; L84-R87 WeakPolarHBondContact O-CB 3.32Å; L84-R87 PolarHBondContact O-N 2.96Å; L84-I88 WeakPolarHBondContact O-CG1 3.13Å; L84-I88 PolarHBondContact O-N 3.03Å
85	L	92.4	Very high	89.5	Confident	53 Å²	53	58 Å²	58	28%	0.277	31%	0.305	S	S	.	.	H	α-helix	trans	-64.5	-41.1	176.5	-69.3	170.6	0	0	0	112.2	A58 I61 K81 N82 R87 I88 S89	A58-L85 HydrophobicContact CB-CD2 4.05Å; I61-L85 HydrophobicContact CB-CD2 4.29Å; I61-L85 HydrophobicContact CD1-CD2 4.21Å; I61-L85 HydrophobicContact CG2-CD1 4.27Å; I61-L85 HydrophobicContact CG2-CD2 4.26Å; I61-L85 HydrophobicContact CG2-CG 4.02Å; K81-L85 WeakPolarHBondContact O-CG 3.47Å; K81-L85 PolarHBondContact O-N 3.47Å; N82-L85 PolarHBondContact O-N 2.96Å; L85-R87 VanDerWaalsContact C-N 3.3Å; L85-R87 PolarHBondContact O-N 3.17Å; L85-I88 PolarHBondContact O-N 3.26Å; L85-S89 PolarHBondContact O-N 3Å
86	T	93.1	Very high	89.8	Confident	92 Å²	92	56 Å²	56	56%	0.564	29%	0.289	S	S	*	.	H	α-helix	trans	-60.4	-39.9	171.6	-54.9	0	0	0	0	111.6	N82 S89 T90	N82-T86 PolarHBondContact O-N 3.38Å; N82-T86 PolarHBondContact O-OG1 3.21Å; T86-S89 PolarHBondContact O-N 3.34Å; T86-T90 WeakPolarHBondContact O-CB 3.29Å; T86-T90 PolarHBondContact O-N 2.93Å; T86-T90 PolarHBondContact O-OG1 3.44Å
87	R	94.5	Very high	90.2	Very high	75 Å²	75	54.9 Å²	54.9	28%	0.283	28%	0.284	S	S	.	.	H	α-helix	trans	-66.6	-41	177.6	-175	176.8	176.1	178	0.5	112.4	L15 D16 S19 Q83 L84 L85 T90 L91	L15-R87 HydrophobicContact CD2-CB 4.26Å; L15-R87 HydrophobicContact CD2-CG 4.15Å; D16-R87 VanDerWaalsContact CG-NH1 3.31Å; D16-R87 IonicContact OD1-CZ 3.76Å; D16-R87 IonicContact OD1-NH1 2.86Å; D16-R87 PolarHBondContact OD1-NH1 3.29Å; D16-R87 IonicContact OD1-NH2 3.85Å; D16-R87 PolarHBondContact OD1-NH2 2.94Å; D16-R87 IonicContact OD2-NH1 2.78Å; D16-R87 PolarHBondContact OD2-NH1 2.91Å; S19-R87 PolarHBondContact OG-NH2 3.22Å; Q83-R87 WeakPolarHBondContact O-CB 3.41Å; Q83-R87 PolarHBondContact O-N 2.59Å; L84-R87 WeakPolarHBondContact O-CB 3.32Å; L84-R87 PolarHBondContact O-N 2.96Å; L85-R87 VanDerWaalsContact C-N 3.3Å; L85-R87 PolarHBondContact O-N 3.17Å; R87-T90 PolarHBondContact O-N 2.99Å; R87-L91 WeakPolarHBondContact O-CG 3.44Å; R87-L91 PolarHBondContact O-N 3.36Å
88	I	93.9	Very high	90.3	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.015	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-50.7	173.2	-72.8	169.8	0	0	0	110.7	L15 L54 H57 A58 I61 L84 L85 T90 L91 T92	L15-I88 HydrophobicContact CD1-CD1 4.35Å; L15-I88 HydrophobicContact CD1-CG1 3.59Å; L15-I88 HydrophobicContact CD2-CD1 4.29Å; L15-I88 HydrophobicContact CD2-CG1 3.76Å; L15-I88 HydrophobicContact CG-CG1 4.35Å; L54-I88 HydrophobicContact CB-CG2 4.06Å; L54-I88 HydrophobicContact CD2-CG1 4.34Å; L54-I88 HydrophobicContact CD2-CG2 4.28Å; H57-I88 HydrophobicContact CB-CD1 3.84Å; A58-I88 HydrophobicContact CB-CD1 4.01Å; A58-I88 HydrophobicContact CB-CG2 4.35Å; I61-I88 HydrophobicContact CD1-CD1 3.55Å; L84-I88 WeakPolarHBondContact O-CG1 3.13Å; L84-I88 PolarHBondContact O-N 3.03Å; L85-I88 PolarHBondContact O-N 3.26Å; I88-T90 VanDerWaalsContact C-N 3.26Å; I88-T90 PolarHBondContact O-N 2.73Å; I88-L91 WeakPolarHBondContact O-CB 3.32Å; I88-L91 PolarHBondContact O-N 2.74Å; I88-T92 PolarHBondContact O-N 3.07Å; I88-T92 PolarHBondContact O-OG1 3.41Å
89	S	91.4	Very high	89.8	Confident	61 Å²	61	54.8 Å²	54.8	43%	0.427	29%	0.285	S	S	.	.	H	α-helix	trans	-52.7	-46.7	176.3	173.1	0	0	0	0	111.1	L85 T86 L91 T92 D93	L85-S89 PolarHBondContact O-N 3Å; T86-S89 PolarHBondContact O-N 3.34Å; S89-L91 PolarHBondContact O-N 3.42Å; S89-T92 PolarHBondContact O-N 2.88Å; S89-D93 WeakPolarHBondContact O-CB 3.48Å; S89-D93 PolarHBondContact O-N 3.29Å
90	T	93.1	Very high	88.9	Confident	67 Å²	67	61.8 Å²	61.8	41%	0.411	31%	0.308	S	S	.	.	H	α-helix	trans	-61.2	-25.8	177.5	-55.7	0	0	0	0	114	T86 R87 I88 K94	T86-T90 WeakPolarHBondContact O-CB 3.29Å; T86-T90 PolarHBondContact O-N 2.93Å; T86-T90 PolarHBondContact O-OG1 3.44Å; R87-T90 PolarHBondContact O-N 2.99Å; I88-T90 VanDerWaalsContact C-N 3.26Å; I88-T90 PolarHBondContact O-N 2.73Å; T90-K94 WeakPolarHBondContact O-CD 3.34Å; T90-K94 VanDerWaalsContact O-CG 3.31Å; T90-K94 WeakPolarHBondContact O-CG 3.48Å
91	L	93.2	Very high	87.8	Confident	7 Å²	7	62.6 Å²	62.6	4%	0.037	31%	0.31	C	S	.	.	H	α-helix	trans	-84.2	-43.6	176.1	-70.4	164.4	0	0	0	111.7	L15 I22 L54 R87 I88 S89 D93 K94 L95	L15-L91 HydrophobicContact CD1-CD1 4.02Å; I22-L91 HydrophobicContact CD1-CB 4.4Å; I22-L91 HydrophobicContact CG2-CD2 4.13Å; L54-L91 HydrophobicContact CD1-CB 3.79Å; L54-L91 HydrophobicContact CD2-CB 4.17Å; L54-L91 HydrophobicContact CD2-CD1 4.01Å; R87-L91 WeakPolarHBondContact O-CG 3.44Å; R87-L91 PolarHBondContact O-N 3.36Å; I88-L91 WeakPolarHBondContact O-CB 3.32Å; I88-L91 PolarHBondContact O-N 2.74Å; S89-L91 PolarHBondContact O-N 3.42Å; L91-D93 PolarHBondContact O-N 2.81Å; L91-K94 WeakPolarHBondContact O-CB 3.31Å; L91-K94 PolarHBondContact O-N 2.56Å; L91-L95 PolarHBondContact O-N 2.85Å
92	T	92.4	Very high	86.9	Confident	5 Å²	5	62.1 Å²	62.1	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-55.6	-43.7	171.1	-63.1	0	0	0	0	111	L51 L54 I88 S89 K94 L95 N96 L109	L51-T92 HydrophobicContact CD2-CG2 3.65Å; L54-T92 WeakPolarHBondContact CD1-OG1 3.5Å; I88-T92 PolarHBondContact O-N 3.07Å; I88-T92 PolarHBondContact O-OG1 3.41Å; S89-T92 PolarHBondContact O-N 2.88Å; T92-K94 PolarHBondContact O-N 2.81Å; T92-L95 PolarHBondContact O-N 2.98Å; T92-N96 WeakPolarHBondContact O-CB 3.44Å; T92-N96 VanDerWaalsContact O-CG 3.26Å; T92-N96 PolarHBondContact O-N 3.09Å; T92-L109 HydrophobicContact CG2-CD1 3.68Å; T92-L109 HydrophobicContact CG2-CG 4.34Å
93	D	89.6	Confident	85.4	Confident	82 Å²	82	59.6 Å²	59.6	44%	0.439	30%	0.303	S	S	.	.	H	α-helix	trans	-62	-22.3	176.2	-121.1	47.5	0	0	0	114.3	S89 L91 K97	S89-D93 WeakPolarHBondContact O-CB 3.48Å; S89-D93 PolarHBondContact O-N 3.29Å; L91-D93 PolarHBondContact O-N 2.81Å; D93-K97 WeakPolarHBondContact O-CD 3.45Å; D93-K97 WeakPolarHBondContact O-CE 3.45Å; D93-K97 WeakPolarHBondContact O-CG 3.39Å; D93-K97 PolarHBondContact O-NZ 3.45Å; D93-K97 IonicContact OD2-NZ 3.82Å; D93-K97 PolarHBondContact OD2-NZ 3.23Å
94	K	91.2	Very high	83.8	Confident	105 Å²	105	57.8 Å²	57.8	46%	0.457	30%	0.3	S	S	.	.	H	α-helix	trans	-88.6	-37.5	176.4	-74.2	171.8	-178.8	-179.8	0	111.7	I26 T90 L91 T92 K97	I26-K94 HydrophobicContact CD1-CB 3.77Å; T90-K94 WeakPolarHBondContact O-CD 3.34Å; T90-K94 VanDerWaalsContact O-CG 3.31Å; T90-K94 WeakPolarHBondContact O-CG 3.48Å; L91-K94 WeakPolarHBondContact O-CB 3.31Å; L91-K94 PolarHBondContact O-N 2.56Å; T92-K94 PolarHBondContact O-N 2.81Å; K94-K97 PolarHBondContact O-N 2.86Å
95	L	90.3	Very high	82.2	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.9	-49.5	172.6	-73.5	167.5	0	0	0	111	I22 F25 F50 L51 L54 L91 T92 K97 L98 I105	I22-L95 HydrophobicContact CD1-CD1 3.95Å; I22-L95 HydrophobicContact CG1-CD1 4.25Å; I22-L95 HydrophobicContact CG2-CD1 4.39Å; I22-L95 HydrophobicContact CG2-CD2 4.11Å; I22-L95 HydrophobicContact CG2-CG 4.07Å; F25-L95 HydrophobicContact CD1-CD2 3.99Å; F25-L95 HydrophobicContact CE1-CD2 4.08Å; F50-L95 HydrophobicContact CB-CD1 3.72Å; F50-L95 HydrophobicContact CB-CD2 4.49Å; F50-L95 HydrophobicContact CD2-CD2 4.46Å; L51-L95 HydrophobicContact CD2-CB 4.07Å; L51-L95 HydrophobicContact CD2-CD1 3.73Å; L51-L95 HydrophobicContact CG-CB 4.48Å; L51-L95 HydrophobicContact CG-CD1 4.05Å; L54-L95 HydrophobicContact CD1-CD1 3.98Å; L91-L95 PolarHBondContact O-N 2.85Å; T92-L95 PolarHBondContact O-N 2.98Å; L95-K97 PolarHBondContact O-N 2.86Å; L95-K97 VanDerWaalsContact O-N 3.07Å; L95-L98 HydrophobicContact CD2-CD1 4.43Å; L95-L98 VanDerWaalsContact O-CB 3.24Å; L95-L98 WeakPolarHBondContact O-CB 3.42Å; L95-L98 PolarHBondContact O-N 3.28Å; L95-I105 VanDerWaalsContact O-CD1 3.28Å; L95-I105 WeakPolarHBondContact O-CD1 3.25Å
96	N	84.8	Confident	80.1	Confident	56 Å²	56	62.4 Å²	62.4	30%	0.299	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-63.3	-17.2	179.2	-64.9	-5.4	0	0	0	113.5	T92 L98 D99	T92-N96 WeakPolarHBondContact O-CB 3.44Å; T92-N96 VanDerWaalsContact O-CG 3.26Å; T92-N96 PolarHBondContact O-N 3.09Å; N96-L98 VanDerWaalsContact C-N 3.3Å; N96-D99 WeakPolarHBondContact O-CB 3.46Å
97	K	86.9	Confident	78	Confident	133 Å²	133	59.8 Å²	59.8	58%	0.578	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-79	-11.2	172.6	-74.6	172.3	-171.4	108.8	0	113	D93 K94 L95 D99	D93-K97 WeakPolarHBondContact O-CD 3.45Å; D93-K97 WeakPolarHBondContact O-CE 3.45Å; D93-K97 WeakPolarHBondContact O-CG 3.39Å; D93-K97 PolarHBondContact O-NZ 3.45Å; D93-K97 IonicContact OD2-NZ 3.82Å; D93-K97 PolarHBondContact OD2-NZ 3.23Å; K94-K97 PolarHBondContact O-N 2.86Å; L95-K97 PolarHBondContact O-N 2.86Å; L95-K97 VanDerWaalsContact O-N 3.07Å; K97-D99 VanDerWaalsContact C-N 3.3Å
98	L	84.3	Confident	75.5	Confident	9 Å²	9	61.5 Å²	61.5	5%	0.047	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-75.9	-13	172.2	-61.4	178.7	0	0	0	113.6	F25 I26 V29 L95 N96 K100 K101 I102 I105	F25-L98 HydrophobicContact CD1-CD1 4.22Å; F25-L98 HydrophobicContact CE1-CD1 3.71Å; I26-L98 HydrophobicContact CG1-CD1 4.05Å; I26-L98 HydrophobicContact CG2-CD2 4.49Å; V29-L98 HydrophobicContact CB-CD1 4.43Å; V29-L98 HydrophobicContact CB-CD2 4.47Å; V29-L98 HydrophobicContact CG1-CD1 4.28Å; V29-L98 HydrophobicContact CG1-CD2 4.02Å; L95-L98 HydrophobicContact CD2-CD1 4.43Å; L95-L98 VanDerWaalsContact O-CB 3.24Å; L95-L98 WeakPolarHBondContact O-CB 3.42Å; L95-L98 PolarHBondContact O-N 3.28Å; N96-L98 VanDerWaalsContact C-N 3.3Å; L98-K100 PolarHBondContact O-N 3.08Å; L98-K101 PolarHBondContact O-N 3.43Å; L98-I102 HydrophobicContact CB-CD1 4.05Å; L98-I102 HydrophobicContact CB-CG1 4.34Å; L98-I102 PolarHBondContact O-N 2.97Å; L98-I102 VanDerWaalsContact O-N 3.09Å; L98-I105 HydrophobicContact CB-CD1 4.41Å
99	D	73.5	Confident	72.8	Confident	48 Å²	48	64.4 Å²	64.4	26%	0.257	34%	0.336	S	S	.	.	H	α-helix	trans	-41.8	-41	176.9	-95	36.5	0	0	0	113.5	N96 K97 K101 G103 T104 I105	N96-D99 WeakPolarHBondContact O-CB 3.46Å; K97-D99 VanDerWaalsContact C-N 3.3Å; D99-K101 PolarHBondContact O-N 3.38Å; D99-G103 WeakPolarHBondContact CA-O 3.46Å; D99-G103 CarbonylContact O-C 3.06Å; D99-G103 WeakPolarHBondContact O-CA 3.26Å; D99-G103 PolarHBondContact O-N 3.3Å; D99-T104 WeakPolarHBondContact OD2-CA 3.36Å; D99-T104 WeakPolarHBondContact OD2-CG2 3.5Å; D99-I105 WeakPolarHBondContact OD1-CB 3.37Å; D99-I105 WeakPolarHBondContact OD1-CD1 3.45Å; D99-I105 VanDerWaalsContact OD1-CG1 3.23Å; D99-I105 WeakPolarHBondContact OD1-CG1 3.46Å; D99-I105 PolarHBondContact OD1-N 2.64Å; D99-I105 PolarHBondContact OD2-N 2.75Å
100	K	67.3	Low	70.1	Confident	207 Å²	207	67.8 Å²	67.8	90%	0.9	35%	0.349	S	S	*	.	H	α-helix	trans	-69.9	-13.5	-178.5	-64.7	-173.3	177	-176	0	114.6	L98	L98-K100 PolarHBondContact O-N 3.08Å
101	K	65.1	Low	67.1	Low	69 Å²	69	69.7 Å²	69.7	30%	0.3	37%	0.372	S	S	.	.	H	α-helix	trans	-110	-31.2	175.7	-83.4	-170.5	169.4	-178.6	0	113.6	N30 Q40 L98 D99	N30-K101 PolarHBondContact O-NZ 3.39Å; N30-K101 PolarHBondContact OD1-NZ 3.13Å; Q40-K101 PolarHBondContact NE2-O 2.86Å; L98-K101 PolarHBondContact O-N 3.43Å; D99-K101 PolarHBondContact O-N 3.38Å
102	I	72	Confident	63.9	Low	3 Å²	3	71.9 Å²	71.9	2%	0.015	40%	0.396	C	S	.	.	H	α-helix	trans	-117.2	3.7	-169.1	79.9	-179.8	0	0	0	114.5	V29 F43 N44 A47 L98 I105	V29-I102 HydrophobicContact CG1-CG2 3.49Å; V29-I102 VanDerWaalsContact CG1-CG2 3.49Å; F43-I102 HydrophobicContact CB-CB 4.08Å; F43-I102 HydrophobicContact CB-CD1 4.21Å; F43-I102 HydrophobicContact CB-CG2 3.8Å; F43-I102 HydrophobicContact CD2-CG2 3.83Å; F43-I102 HydrophobicContact CG-CG2 4.33Å; N44-I102 HydrophobicContact CB-CD1 4.48Å; A47-I102 HydrophobicContact CB-CD1 3.95Å; L98-I102 HydrophobicContact CB-CD1 4.05Å; L98-I102 HydrophobicContact CB-CG1 4.34Å; L98-I102 PolarHBondContact O-N 2.97Å; L98-I102 VanDerWaalsContact O-N 3.09Å; I102-I105 HydrophobicContact CD1-CD1 3.86Å; I102-I105 HydrophobicContact CD1-CG1 4.07Å; I102-I105 HydrophobicContact CG1-CD1 4.32Å; I102-I105 HydrophobicContact CG1-CG1 4.24Å
103	G	59.8	Low	60.7	Low	33 Å²	33	79.1 Å²	79.1	34%	0.34	44%	0.435	S	S	.	.			trans	83.1	165.1	-170.6	0	0	0	0	0	112	D99 I105	D99-G103 WeakPolarHBondContact CA-O 3.46Å; D99-G103 CarbonylContact O-C 3.06Å; D99-G103 WeakPolarHBondContact O-CA 3.26Å; D99-G103 PolarHBondContact O-N 3.3Å; G103-I105 PolarHBondContact O-N 3.37Å
104	T	58.3	Low	57.7	Low	92 Å²	92	84.8 Å²	84.8	56%	0.564	46%	0.459	S	S	*	.			trans	-65	120.7	-169.5	-51.9	0	0	0	0	113	N44 D99 R106	N44-T104 PolarHBondContact ND2-O 2.84Å; D99-T104 WeakPolarHBondContact OD2-CA 3.36Å; D99-T104 WeakPolarHBondContact OD2-CG2 3.5Å; T104-R106 HydrophobicContact CG2-CG 3.86Å; T104-R106 PolarHBondContact O-N 3.04Å
105	I	59.2	Low	54.5	Low	10 Å²	10	86.7 Å²	86.7	5%	0.051	47%	0.474	C	S	.	.			trans	-86.2	93	176.4	-52.3	160.6	0	0	0	108.7	A47 V48 L51 L95 L98 D99 I102 G103 V107	A47-I105 HydrophobicContact CB-CD1 3.95Å; A47-I105 HydrophobicContact CB-CG1 4.44Å; V48-I105 HydrophobicContact CG2-CG2 4.08Å; L51-I105 HydrophobicContact CD1-CG2 3.51Å; L95-I105 VanDerWaalsContact O-CD1 3.28Å; L95-I105 WeakPolarHBondContact O-CD1 3.25Å; L98-I105 HydrophobicContact CB-CD1 4.41Å; D99-I105 WeakPolarHBondContact OD1-CB 3.37Å; D99-I105 WeakPolarHBondContact OD1-CD1 3.45Å; D99-I105 VanDerWaalsContact OD1-CG1 3.23Å; D99-I105 WeakPolarHBondContact OD1-CG1 3.46Å; D99-I105 PolarHBondContact OD1-N 2.64Å; D99-I105 PolarHBondContact OD2-N 2.75Å; I102-I105 HydrophobicContact CD1-CD1 3.86Å; I102-I105 HydrophobicContact CD1-CG1 4.07Å; I102-I105 HydrophobicContact CG1-CD1 4.32Å; I102-I105 HydrophobicContact CG1-CG1 4.24Å; G103-I105 PolarHBondContact O-N 3.37Å; I105-V107 VanDerWaalsContact C-N 3.32Å; I105-V107 PolarHBondContact O-N 3.34Å
106	R	47.3	Very low	51.5	Low	153 Å²	153	94.5 Å²	94.5	58%	0.577	51%	0.514	S	S	*	.			trans	-83.4	68.6	-179.7	-72.7	-164.3	172.2	-167.6	-2.8	113.2	T104 M449 H450	T104-R106 HydrophobicContact CG2-CG 3.86Å; T104-R106 PolarHBondContact O-N 3.04Å; R106-M449 PolarHBondContact NH1-SD 3.45Å; R106-H450 WeakPolarHBondContact CD-NE2 3.35Å; R106-H450 PolarHBondContact NH1-NE2 3.28Å
107	V	50.7	Low	48.6	Very low	37 Å²	37	96.4 Å²	96.4	22%	0.224	53%	0.531	C	S	.	.			trans	-129.5	101.3	165.4	-177.8	0	0	0	0	109.9	V48 L51 I105	V48-V107 HydrophobicContact CG1-CG2 4.15Å; V48-V107 HydrophobicContact CG2-CG2 4.03Å; L51-V107 HydrophobicContact CB-CB 4.49Å; L51-V107 HydrophobicContact CB-CG1 4.27Å; L51-V107 HydrophobicContact CD1-CB 3.94Å; I105-V107 VanDerWaalsContact C-N 3.32Å; I105-V107 PolarHBondContact O-N 3.34Å
108	S	40.3	Very low	45.6	Very low	111 Å²	111	96.2 Å²	96.2	78%	0.776	54%	0.537	S	S	*	.			trans	-77	130.9	168.2	50.8	0	0	0	0	110.5
109	L	37.3	Very low	42.9	Very low	64 Å²	64	102.8 Å²	102.8	34%	0.335	57%	0.567	S	S	.	*			trans	-50.9	143.7	161.6	-97.7	156.9	0	0	0	110.2	N55 T92 A111	N55-L109 WeakPolarHBondContact OD1-CD2 3.21Å; T92-L109 HydrophobicContact CG2-CD1 3.68Å; T92-L109 HydrophobicContact CG2-CG 4.34Å; L109-A111 PolarHBondContact O-N 3.3Å
110	L	36	Very low	40.6	Very low	132 Å²	132	108.7 Å²	108.7	69%	0.691	59%	0.591	S	S	*	*			trans	-69.7	96.4	167.1	-74.8	173	0	0	0	109.2	G112	L110-G112 VanDerWaalsContact C-N 3.31Å; L110-G112 PolarHBondContact O-N 2.98Å
111	A	28.6	Very low	38.5	Very low	107 Å²	107	104.7 Å²	104.7	88%	0.884	58%	0.584	S	S	*	*			trans	-67.3	89.9	167.3	0	0	0	0	0	109	L109	L109-A111 PolarHBondContact O-N 3.3Å
112	G	27.3	Very low	36.6	Very low	54 Å²	54	110.8 Å²	110.8	56%	0.557	61%	0.61	S	S	*	*			trans	-88.6	122	177.3	0	0	0	0	0	111.6	L110	L110-G112 VanDerWaalsContact C-N 3.31Å; L110-G112 PolarHBondContact O-N 2.98Å
113	D	25.6	Very low	34.4	Very low	157 Å²	157	114.9 Å²	114.9	84%	0.84	64%	0.639	S	S	*	*			trans	49.3	66.9	149.6	-51.4	-35.5	0	0	0	117.6	N115	D113-N115 PolarHBondContact O-N 3.2Å
114	E	25.3	Very low	32.8	Very low	200 Å²	200	122.3 Å²	122.3	94%	0.935	67%	0.665	S	S	*	*			trans	-68.8	84.7	154	-77.6	-158.9	168.5	0	0	110.1
115	N	25.2	Very low	31.3	Very low	146 Å²	146	125 Å²	125	78%	0.781	68%	0.676	S	S	*	*			trans	-153.8	81.1	170.9	-126.2	-38.4	0	0	0	112.7	D113	D113-N115 PolarHBondContact O-N 3.2Å
116	I	26.1	Very low	30.1	Very low	164 Å²	164	129.3 Å²	129.3	84%	0.841	70%	0.704	S	S	*	*			trans	-154.2	116.6	152.9	-103.9	146.9	0	0	0	112
117	S	23.5	Very low	29	Very low	95 Å²	95	130.8 Å²	130.8	66%	0.664	72%	0.718	S	S	*	*			trans	78.2	135.9	157.9	80	0	0	0	0	121.6
118	N	25.9	Very low	27.7	Very low	130 Å²	130	133.8 Å²	133.8	70%	0.695	74%	0.74	S	S	*	*			trans	77.6	127.5	166.2	-56.6	-65.6	0	0	0	117.4
119	Q	26.3	Very low	27	Very low	147 Å²	147	136.9 Å²	136.9	69%	0.687	74%	0.743	S	S	*	*			cis	-159.4	147.5	-3.4	-132.6	176.5	74.1	0	0	113.6
120	K	25.1	Very low	26.2	Very low	171 Å²	171	142.6 Å²	142.6	74%	0.743	77%	0.77	S	S	*	*			trans	49.1	111.4	152.3	-81.2	175.6	175.7	171.7	0	121.8
121	V	23.1	Very low	25.7	Very low	124 Å²	124	141.9 Å²	141.9	75%	0.752	78%	0.776	S	S	*	*				69.5	128.7	118.4	172.1	0	0	0	0	120.2
122	K	25.8	Very low	25.4	Very low	196 Å²	196	144 Å²	144	85%	0.852	77%	0.771	S	S	*	*			trans	77.1	143.8	173	-71.6	172.6	179.3	-174.7	0	116.7
123	S	25.3	Very low	25.1	Very low	90 Å²	90	147.8 Å²	147.8	63%	0.629	78%	0.783	S	S	*	*			cis	-173.1	139.2	-20.3	46.6	0	0	0	0	112.5
124	Q	27.4	Very low	25.1	Very low	188 Å²	188	147.4 Å²	147.4	88%	0.879	78%	0.779	S	S	*	*			trans	75.8	140.7	156.9	-66.3	176	-89.5	0	0	120.9
125	D	25.7	Very low	25	Very low	150 Å²	150	143.6 Å²	143.6	80%	0.802	77%	0.766	S	S	*	*			trans	-87.7	-173.6	177.7	-53.9	-82	0	0	0	112.8
126	P	34.5	Very low	25	Very low	100 Å²	100	145.1 Å²	145.1	65%	0.649	77%	0.765	S	S	*	*			cis	-136	-168.6	-47.9	36.3	-18.5	0	0	0	113.1
127	E	23.6	Very low	25.1	Very low	183 Å²	183	147 Å²	147	86%	0.855	77%	0.768	S	S	*	*			trans	67.5	146.9	156.2	-76.7	169.8	-144.7	0	0	118.2
128	S	22.9	Very low	25.3	Very low	100 Å²	100	146.9 Å²	146.9	70%	0.699	77%	0.766	S	S	*	*			cis	-156.5	-156.6	-8.7	55	0	0	0	0	110.7
129	E	26.8	Very low	25.4	Very low	176 Å²	176	146.3 Å²	146.3	82%	0.822	77%	0.768	S	S	*	*			trans	69.6	83.6	170.7	-57.2	-157.3	147.9	0	0	120.8
130	M	21.2	Very low	25.4	Very low	185 Å²	185	147.2 Å²	147.2	91%	0.911	77%	0.772	S	S	*	*				10.1	116.9	128.6	-169.7	-171.5	-50.6	0	0	119.1
131	S	24.3	Very low	25.5	Very low	116 Å²	116	146.3 Å²	146.3	81%	0.811	77%	0.774	S	S	*	*			trans	-152.3	141.2	149.6	49.1	0	0	0	0	112.3
132	I	21.9	Very low	25.8	Very low	153 Å²	153	146.9 Å²	146.9	79%	0.785	77%	0.773	S	S	*	*			trans	-109.6	126.7	178.3	-59.3	169.8	0	0	0	108.3
133	T	22.5	Very low	25.8	Very low	133 Å²	133	143.7 Å²	143.7	82%	0.816	77%	0.77	S	S	*	*			trans	-152.5	115.8	158.6	-71	0	0	0	0	110.8
134	I	24	Very low	26	Very low	148 Å²	148	147.3 Å²	147.3	76%	0.759	78%	0.777	S	S	*	*			trans	-90.4	138.3	161.2	-60.7	163.1	0	0	0	107
135	N	23.6	Very low	26	Very low	121 Å²	121	144.1 Å²	144.1	65%	0.647	77%	0.766	S	S	*	*			trans	170.9	159.9	155.3	-91.2	-24.8	0	0	0	110
136	K	25.6	Very low	26.1	Very low	178 Å²	178	145.9 Å²	145.9	77%	0.774	77%	0.769	S	S	*	*			cis	-175.6	160.3	-28.6	-119	179.3	-164	163.3	0	106.9
137	K	28.5	Very low	25.8	Very low	204 Å²	204	150 Å²	150	89%	0.887	78%	0.78	S	S	*	*			trans	169.7	158.5	138.4	-96.8	-177.1	176.7	-172.5	0	110.7
138	S	26.8	Very low	26	Very low	91 Å²	91	150.2 Å²	150.2	64%	0.636	78%	0.781	S	S	*	*			cis	174.1	144.6	-39.6	-95.7	0	0	0	0	109.3
139	T	28	Very low	26.3	Very low	118 Å²	118	154.2 Å²	154.2	72%	0.724	79%	0.788	S	S	*	*			trans	-179.1	112.6	145.3	31.1	0	0	0	0	105.2
140	E	25.8	Very low	26.3	Very low	167 Å²	167	154.5 Å²	154.5	78%	0.78	79%	0.79	S	S	*	*				77.2	138.6	85.8	-72.1	164.8	-161.5	0	0	111.9
141	L	29	Very low	26.6	Very low	151 Å²	151	153 Å²	153	79%	0.791	78%	0.78	S	S	*	*			cis	-140.8	169.7	38.8	-71.2	159	0	0	0	115
142	N	27.7	Very low	26.8	Very low	137 Å²	137	150.7 Å²	150.7	73%	0.733	78%	0.776	S	S	*	*			trans	20.6	140.1	161.1	-60.2	12.7	0	0	0	122.5
143	V	26.6	Very low	27.1	Very low	128 Å²	128	150 Å²	150	78%	0.776	77%	0.769	S	S	*	*			cis	100.8	142.3	19.2	178.7	0	0	0	0	115.1
144	Q	28.9	Very low	27.3	Very low	166 Å²	166	150.7 Å²	150.7	78%	0.776	76%	0.761	S	S	*	*			trans	89.9	140	-179.4	-51.3	-160.1	-99.8	0	0	117.4
145	D	27.7	Very low	27.4	Very low	121 Å²	121	152.1 Å²	152.1	65%	0.647	76%	0.764	S	S	*	*			cis	-166.5	-173.5	-23.6	-93.3	-24.3	0	0	0	109.2
146	E	29.2	Very low	27.5	Very low	188 Å²	188	155 Å²	155	88%	0.879	77%	0.774	S	S	*	*			trans	77.7	121.6	173.9	-57.6	175.3	-171.4	0	0	115.7
147	E	27.5	Very low	27.5	Very low	185 Å²	185	154.8 Å²	154.8	86%	0.864	78%	0.776	S	S	*	*			cis	71.5	142.3	15.8	-82.2	174	-170.8	0	0	116.9
148	E	28.1	Very low	27.6	Very low	189 Å²	189	152 Å²	152	88%	0.883	78%	0.775	S	S	*	*			cis	-102.4	-123.8	-3.2	-62.7	-168.9	66.9	0	0	113.2
149	E	28.1	Very low	27.7	Very low	183 Å²	183	150.5 Å²	150.5	86%	0.855	77%	0.774	S	S	*	*			cis	-158	177.9	-0.5	-155.2	-175.3	172.6	0	0	109.7
150	E	27.8	Very low	27.9	Very low	182 Å²	182	154.3 Å²	154.3	85%	0.85	78%	0.781	S	S	*	*			trans	-117.4	-172.8	175.8	-59.4	-160.3	93	0	0	112
151	E	26	Very low	28	Very low	153 Å²	153	156.2 Å²	156.2	72%	0.715	79%	0.786	S	S	*	*			cis	-157.6	-173.9	10.6	-162.3	-112.5	-78.5	0	0	109.9
152	G	28.7	Very low	28.1	Very low	69 Å²	69	153.7 Å²	153.7	71%	0.711	78%	0.782	S	S	*	*			trans	155.8	123.7	158.4	0	0	0	0	0	118.5
153	E	28.3	Very low	28.3	Very low	139 Å²	139	156.1 Å²	156.1	65%	0.65	79%	0.785	S	S	*	*			trans	-113.9	166.4	-177.2	-66	-176.5	93.5	0	0	117.6
154	K	27.7	Very low	28.5	Very low	147 Å²	147	158.5 Å²	158.5	64%	0.639	79%	0.788	S	S	*	*			trans	86.6	130.9	144.4	-80.1	146.5	-172.9	157.1	0	123.3
155	E	25	Very low	28.5	Very low	177 Å²	177	162 Å²	162	83%	0.827	79%	0.794	S	S	*	*			trans	26.9	147.1	131.1	-53.8	-177	128	0	0	120.2
156	E	26.5	Very low	28.4	Very low	182 Å²	182	165.4 Å²	165.4	85%	0.85	80%	0.803	S	S	*	*			cis	-150.8	-148.6	37.4	-149.7	-165.4	152.2	0	0	113.9
157	Q	25.7	Very low	28.4	Very low	174 Å²	174	162.3 Å²	162.3	81%	0.813	80%	0.797	S	S	*	*			trans	-116.9	-171.8	-161.5	-55.7	-176	20.3	0	0	116.4
158	V	30.2	Very low	28.4	Very low	144 Å²	144	162.3 Å²	162.3	87%	0.873	79%	0.794	S	S	*	*			trans	96.6	128.8	165.2	-173.9	0	0	0	0	116.6
159	G	29.1	Very low	28.2	Very low	60 Å²	60	157.9 Å²	157.9	62%	0.619	78%	0.784	S	S	*	*			cis	146.2	121.2	-15.6	0	0	0	0	0	117.2
160	K	31.6	Very low	28.2	Very low	198 Å²	198	157 Å²	157	86%	0.861	78%	0.78	S	S	*	*			trans	-177.2	120	157	-95.2	140.9	-173.5	173.2	0	108.8
161	K	28.6	Very low	27.9	Very low	207 Å²	207	153.3 Å²	153.3	90%	0.9	77%	0.774	S	S	*	*				58.3	128.2	81.4	-68.9	-178.6	179.1	175	0	113.4
162	S	31.5	Very low	27.9	Very low	99 Å²	99	154.8 Å²	154.8	69%	0.692	78%	0.778	S	S	*	*			cis	-155	171.9	8.7	66.1	0	0	0	0	110
163	K	31.6	Very low	27.6	Very low	187 Å²	187	156.7 Å²	156.7	81%	0.813	78%	0.781	S	S	*	*				-166.7	-175.4	52.1	-127.4	157.8	-169.7	174.9	0	112.3
164	H	30	Very low	27.5	Very low	178 Å²	178	158.5 Å²	158.5	82%	0.824	79%	0.793	S	S	*	*			trans	-43.8	159.7	-174.8	-57.9	-33.6	0	0	0	117.7
165	R	29.2	Very low	27.2	Very low	241 Å²	241	160.6 Å²	160.6	91%	0.909	80%	0.802	S	S	*	*			cis	-158.7	155.6	41.6	-161.3	177.5	175.8	160.5	-2.8	114.1
166	K	26.7	Very low	27.1	Very low	191 Å²	191	159.4 Å²	159.4	83%	0.83	80%	0.801	S	S	*	*			trans	-84.5	171	170.6	-56.1	177.9	177.4	178.5	0	110.3
167	T	29.2	Very low	27	Very low	123 Å²	123	160.1 Å²	160.1	76%	0.755	80%	0.801	S	S	*	*			cis	-158.5	159.8	30.9	36.2	0	0	0	0	113.5
168	K	27.9	Very low	26.8	Very low	185 Å²	185	159 Å²	159	80%	0.804	80%	0.799	S	S	*	*			trans	1	133.4	143.4	-70.4	-164.7	170	-166.3	0	118.2
169	S	23.9	Very low	26.6	Very low	96 Å²	96	157.8 Å²	157.8	67%	0.671	80%	0.797	S	S	*	*			cis	78.9	112.8	46.9	82.9	0	0	0	0	116.1
170	E	26.3	Very low	26.4	Very low	164 Å²	164	164.7 Å²	164.7	77%	0.766	81%	0.81	S	S	*	*			trans	-174.2	160.7	132.5	-116.1	-175.8	-130.9	0	0	112.7	K172	E170-K172 IonicContact OE2-NZ 2.68Å; E170-K172 PolarHBondContact OE2-NZ 3.44Å
171	S	22.6	Very low	26.2	Very low	105 Å²	105	162.6 Å²	162.6	73%	0.734	80%	0.803	S	S	*	*			trans	-106.2	149.4	177	-43.3	0	0	0	0	111.4
172	K	26.6	Very low	26.2	Very low	185 Å²	185	159.4 Å²	159.4	80%	0.804	79%	0.789	S	S	*	*			trans	-170	148.4	153	-99.7	132.4	-160.5	161.2	0	113.3	E170	E170-K172 IonicContact OE2-NZ 2.68Å; E170-K172 PolarHBondContact OE2-NZ 3.44Å
173	S	21.9	Very low	26	Very low	109 Å²	109	161.2 Å²	161.2	76%	0.762	79%	0.792	S	S	*	*			trans	-87.1	164.9	167.7	-31.2	0	0	0	0	111.2
174	I	25.6	Very low	25.8	Very low	176 Å²	176	157.8 Å²	157.8	90%	0.903	79%	0.786	S	S	*	*			trans	-177.5	163	140.6	-98.8	155.8	0	0	0	112.6
175	K	22.5	Very low	25.8	Very low	191 Å²	191	158.9 Å²	158.9	83%	0.83	79%	0.788	S	S	*	*			trans	-82.4	147.1	-169	-67.7	178.6	175.3	179.6	0	116.4
176	L	21.6	Very low	25.7	Very low	153 Å²	153	154.5 Å²	154.5	80%	0.801	78%	0.778	S	S	*	*			trans	20	126.6	136.9	-86.8	154.2	0	0	0	121.7
177	K	24.1	Very low	25.9	Very low	197 Å²	197	150.5 Å²	150.5	86%	0.857	77%	0.774	S	S	*	*			trans	-152.7	123.4	134.8	-96.5	174.4	-178.7	176.5	0	106.2
178	I	22	Very low	25.8	Very low	149 Å²	149	152.4 Å²	152.4	76%	0.764	77%	0.772	S	S	*	*				58	104	69	-55.2	179.9	0	0	0	113.7
179	S	27.2	Very low	25.9	Very low	120 Å²	120	151 Å²	151	84%	0.839	77%	0.774	S	S	*	*			trans	-152.5	123.3	148.4	52.9	0	0	0	0	109.2
180	K	23.2	Very low	26.2	Very low	204 Å²	204	152.2 Å²	152.2	89%	0.887	78%	0.777	S	S	*	*			trans	-97.1	163.6	170.9	-68.7	-179.3	177.3	179.2	0	109.8
181	E	27.8	Very low	26.2	Very low	154 Å²	154	150.6 Å²	150.6	72%	0.72	78%	0.778	S	S	*	*			trans	151.8	148.2	145	-84.3	-164.2	157.5	0	0	109.2
182	K	28.6	Very low	26.5	Very low	140 Å²	140	151.6 Å²	151.6	61%	0.609	78%	0.782	S	S	*	*			cis	-158	143.8	4.2	-129.3	164.4	-174.1	142.7	0	110.9
183	N	27.1	Very low	26.6	Very low	138 Å²	138	147 Å²	147	74%	0.738	78%	0.779	S	S	*	*			trans	56.3	150.8	134.5	-75.7	18.7	0	0	0	122.8
184	V	27.7	Very low	27.1	Very low	115 Å²	115	147.7 Å²	147.7	70%	0.697	78%	0.781	S	S	*	*			cis	-167.7	148.1	-19.7	99.4	0	0	0	0	110.4
185	K	29.5	Very low	27.1	Very low	201 Å²	201	143.5 Å²	143.5	87%	0.874	77%	0.772	S	S	*	*				-175.2	146.8	128.7	-104.6	179.9	-179.7	-175.8	0	113.8
186	E	27.9	Very low	27.3	Very low	148 Å²	148	139.5 Å²	139.5	69%	0.692	77%	0.768	S	S	*	*			trans	-87.4	177.2	176	-68.3	172	99.8	0	0	110.3	K188	E186-K188 IonicContact OE1-NZ 2.62Å; E186-K188 PolarHBondContact OE1-NZ 3.16Å
187	S	31.2	Very low	27.6	Very low	107 Å²	107	139 Å²	139	75%	0.748	77%	0.767	S	S	*	*			cis	-149.6	144.5	31.6	46.9	0	0	0	0	111.5
188	K	27.7	Very low	27.8	Very low	164 Å²	164	135.7 Å²	135.7	71%	0.713	76%	0.763	S	S	*	*				65	103.1	67.2	-87.5	-179.9	-176.2	151.9	0	115.4	E186	E186-K188 IonicContact OE1-NZ 2.62Å; E186-K188 PolarHBondContact OE1-NZ 3.16Å
189	D	29.9	Very low	28	Very low	156 Å²	156	133.3 Å²	133.3	83%	0.834	76%	0.76	S	S	*	*				-177.9	167.9	128.2	-99.5	-28.9	0	0	0	108.9
190	T	29.5	Very low	27.8	Very low	120 Å²	120	133.8 Å²	133.8	74%	0.736	76%	0.758	S	S	*	*			cis	-166.6	140.7	-48.3	-88.2	0	0	0	0	107.1
191	T	26.1	Very low	27.9	Very low	130 Å²	130	129.7 Å²	129.7	80%	0.798	75%	0.75	S	S	*	*			trans	-78.1	161.2	-179.3	9.6	0	0	0	0	112.9
192	P	29.8	Very low	27.6	Very low	127 Å²	127	128.5 Å²	128.5	83%	0.825	75%	0.753	S	S	*	*				-152.1	-171.8	59.8	41.3	-18.8	0	0	0	117.7
193	A	27.9	Very low	27.4	Very low	88 Å²	88	128.1 Å²	128.1	73%	0.727	76%	0.756	S	S	*	*			trans	-99	174.1	173	0	0	0	0	0	112.8
194	P	32.5	Very low	27.5	Very low	124 Å²	124	126.4 Å²	126.4	81%	0.805	76%	0.761	S	S	*	*				-156.4	151.7	102.9	39.2	-20.3	0	0	0	119.9
195	A	26.4	Very low	27.5	Very low	88 Å²	88	128.4 Å²	128.4	73%	0.727	76%	0.763	S	S	*	*			trans	58.2	129.9	135.8	0	0	0	0	0	126.3
196	S	26.1	Very low	27.3	Very low	106 Å²	106	126.9 Å²	126.9	74%	0.741	76%	0.762	S	S	*	*			trans	70.7	141	146.4	76.9	0	0	0	0	119.1
197	N	27.2	Very low	27.3	Very low	144 Å²	144	127.5 Å²	127.5	77%	0.77	77%	0.765	S	S	*	*			cis	-128.8	-177.9	-5.3	-69.1	-68.4	0	0	0	108.3
198	T	29.7	Very low	27	Very low	126 Å²	126	126.5 Å²	126.5	77%	0.773	76%	0.763	S	S	*	*			cis	-169.1	153.5	32.6	-23.6	0	0	0	0	111.6
199	S	24.7	Very low	27.1	Very low	100 Å²	100	124.9 Å²	124.9	70%	0.699	77%	0.767	S	S	*	*			trans	49.9	104.5	149.4	-62.3	0	0	0	0	124.1
200	T	24	Very low	27	Very low	130 Å²	130	124.7 Å²	124.7	80%	0.798	77%	0.766	S	S	*	*				77.8	140.7	126.2	-31.3	0	0	0	0	121.8
201	T	24.2	Very low	27.1	Very low	117 Å²	117	126.8 Å²	126.8	72%	0.718	77%	0.773	S	S	*	*			trans	118	77.5	145.2	-43.9	0	0	0	0	118.7
202	V	23.1	Very low	27.3	Very low	130 Å²	130	128.4 Å²	128.4	79%	0.788	77%	0.771	S	S	*	*			trans	70.7	155.6	140.7	-152	0	0	0	0	120.9
203	I	24.2	Very low	27.4	Very low	132 Å²	132	130.4 Å²	130.4	68%	0.677	78%	0.775	S	S	*	*			trans	79.1	99.5	169	-44.8	-177.2	0	0	0	116.3	Q205	I203-Q205 HydrophobicContact CG2-CG 4.33Å
204	A	27.5	Very low	27.4	Very low	102 Å²	102	133.7 Å²	133.7	84%	0.843	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-98.5	127.7	153.4	0	0	0	0	0	108.7
205	Q	28.6	Very low	27.4	Very low	157 Å²	157	135 Å²	135	73%	0.734	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-83.3	149.4	178.5	-67.3	166.4	-107.3	0	0	111.1	I203 H207	I203-Q205 HydrophobicContact CG2-CG 4.33Å; Q205-H207 PolarHBondContact O-N 3.18Å
206	I	24.9	Very low	27.8	Very low	169 Å²	169	138 Å²	138	87%	0.867	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-71.6	123.8	161.8	-60.7	172.5	0	0	0	107.7
207	H	29.1	Very low	27.9	Very low	161 Å²	161	139.9 Å²	139.9	75%	0.745	77%	0.774	S	S	*	*			trans	-111.2	122.2	164.7	-111.8	-85.8	0	0	0	108.4	Q205	Q205-H207 PolarHBondContact O-N 3.18Å
208	A	24.2	Very low	28.3	Very low	86 Å²	86	140.8 Å²	140.8	71%	0.711	78%	0.779	S	S	*	*			trans	-97.9	128.1	171	0	0	0	0	0	109.8
209	T	30.5	Very low	28.4	Very low	129 Å²	129	142.8 Å²	142.8	79%	0.791	79%	0.785	S	S	*	*			trans	-149.3	112.7	158.1	48.5	0	0	0	0	108
210	D	27	Very low	28.8	Very low	152 Å²	152	141.7 Å²	141.7	81%	0.813	79%	0.789	S	S	*	*			trans	-66.5	139.8	168.7	-56.5	-72.6	0	0	0	110.5
211	N	30.9	Very low	29	Very low	164 Å²	164	143.5 Å²	143.5	88%	0.877	79%	0.789	S	S	*	*			trans	-160.7	115.1	147.9	-93.9	-44.3	0	0	0	107.7
212	H	30.9	Very low	29.6	Very low	164 Å²	164	145.2 Å²	145.2	76%	0.759	79%	0.794	S	S	*	*			trans	-79.8	132.4	168.1	-91.2	-100	0	0	0	109.8
213	D	31.7	Very low	29.9	Very low	170 Å²	170	145.4 Å²	145.4	91%	0.909	78%	0.784	S	S	*	*			trans	-136.1	117.7	143.6	-96.2	-41.7	0	0	0	106.5
214	E	28	Very low	30.4	Very low	157 Å²	157	146.8 Å²	146.8	73%	0.734	79%	0.787	S	S	*	*			trans	-89.2	140.8	169.1	-63.6	-176.4	153.3	0	0	109.1
215	I	32.7	Very low	30.5	Very low	150 Å²	150	148.4 Å²	148.4	77%	0.769	78%	0.782	S	S	*	*				174.7	121.5	119.7	-92.4	161.5	0	0	0	112.8
216	H	33.9	Very low	30.7	Very low	152 Å²	152	147.5 Å²	147.5	70%	0.704	78%	0.781	S	S	*	*			trans	55.7	112.8	152.7	-69.1	-46.9	0	0	0	124.3
217	N	29.7	Very low	31.2	Very low	146 Å²	146	142.6 Å²	142.6	78%	0.781	76%	0.757	S	S	*	*				76.4	113	122.5	-55	1.9	0	0	0	120.6
218	D	34.2	Very low	31.3	Very low	163 Å²	163	139.7 Å²	139.7	87%	0.872	75%	0.752	S	S	*	*				-144.3	159.6	112.8	-153	-7.9	0	0	0	109.2
219	D	31.5	Very low	31.9	Very low	167 Å²	167	141.7 Å²	141.7	89%	0.893	75%	0.751	S	S	*	*			trans	-92.3	147.6	-170.3	-76.2	-53.3	0	0	0	114
220	G	34.3	Very low	32.3	Very low	77 Å²	77	141.9 Å²	141.9	79%	0.794	74%	0.741	S	S	*	*			trans	179.8	104.7	172.3	0	0	0	0	0	114.4
221	E	28.9	Very low	32.5	Very low	168 Å²	168	138.7 Å²	138.7	79%	0.785	73%	0.727	S	S	*	*			trans	-69.6	134	172	-64.4	-166.6	171.4	0	0	111.8	K223	E221-K223 IonicContact OE2-NZ 3.75Å; E221-K223 PolarHBondContact OE2-NZ 2.97Å
222	D	35.3	Very low	32.6	Very low	154 Å²	154	137 Å²	137	82%	0.824	72%	0.717	S	S	*	*				-151.9	165.6	128.8	-136.9	-25.6	0	0	0	112.9
223	K	29.6	Very low	32.6	Very low	134 Å²	134	137 Å²	137	58%	0.583	72%	0.715	S	S	*	*			trans	-106.7	133.3	-159.3	-63.9	160.2	-177.7	74.3	0	112.2	E221	E221-K223 IonicContact OE2-NZ 3.75Å; E221-K223 PolarHBondContact OE2-NZ 2.97Å
224	H	35.3	Very low	32.6	Very low	161 Å²	161	137 Å²	137	75%	0.745	71%	0.707	S	S	*	*				162.3	133.1	122	-93	-70.2	0	0	0	114.5
225	N	29.9	Very low	32.9	Very low	136 Å²	136	135.6 Å²	135.6	73%	0.727	70%	0.703	S	S	*	*			trans	66.5	147.6	144.5	-67.7	-13.2	0	0	0	118.8
226	L	31.6	Very low	32.7	Very low	138 Å²	138	135 Å²	135	72%	0.723	70%	0.701	S	S	*	*			cis	-143.6	158.3	11.6	-118.7	144.5	0	0	0	112.3
227	D	35.9	Very low	32.3	Very low	66 Å²	66	134.7 Å²	134.7	35%	0.353	70%	0.704	S	S	.	*			trans	-84.2	127	-179.6	159.2	18.4	0	0	0	111.7	D229 K230	D227-D229 PolarHBondContact O-N 2.72Å; D227-D229 PolarHBondContact OD1-N 3.49Å; D227-D229 VanDerWaalsContact OD1-N 3.14Å; D227-K230 IonicContact OD2-NZ 3.26Å; D227-K230 PolarHBondContact OD2-NZ 3.38Å
228	P	31.9	Very low	32.1	Very low	100 Å²	100	132.3 Å²	132.3	65%	0.649	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-38.9	-176.1	-25.5	34.7	0	0	0	115	K230 T231	P228-K230 PolarHBondContact O-N 2.97Å; P228-K230 VanDerWaalsContact O-N 3.15Å; P228-T231 WeakPolarHBondContact O-CB 3.17Å; P228-T231 PolarHBondContact O-N 3.31Å
229	D	36.2	Very low	31.8	Very low	127 Å²	127	129.5 Å²	129.5	68%	0.679	69%	0.692	S	S	*	*	H	α-helix	trans	-71.4	-14.3	-169.4	-81.4	-18.1	0	0	0	113.3	D227 T231	D227-D229 PolarHBondContact O-N 2.72Å; D227-D229 PolarHBondContact OD1-N 3.49Å; D227-D229 VanDerWaalsContact OD1-N 3.14Å; D229-T231 VanDerWaalsContact C-N 3.32Å
230	K	37.9	Very low	31.6	Very low	134 Å²	134	127.6 Å²	127.6	58%	0.583	69%	0.692	S	S	*	*	H	α-helix	trans	-79.4	-12	172.1	-68.7	-172.1	179.8	84.9	0	113.8	D227 P228	D227-K230 IonicContact OD2-NZ 3.26Å; D227-K230 PolarHBondContact OD2-NZ 3.38Å; P228-K230 PolarHBondContact O-N 2.97Å; P228-K230 VanDerWaalsContact O-N 3.15Å
231	T	33	Very low	31.3	Very low	85 Å²	85	129.8 Å²	129.8	52%	0.521	69%	0.689	S	S	.	*	H	α-helix	trans	-82.8	-45.2	179.2	-53.1	0	0	0	0	111.7	P228 D229 K233 K234	P228-T231 WeakPolarHBondContact O-CB 3.17Å; P228-T231 PolarHBondContact O-N 3.31Å; D229-T231 VanDerWaalsContact C-N 3.32Å; T231-K233 VanDerWaalsContact C-N 3.27Å; T231-K233 PolarHBondContact O-N 3.02Å; T231-K234 PolarHBondContact O-N 3.03Å
232	L	31.3	Very low	31	Very low	129 Å²	129	129.5 Å²	129.5	68%	0.675	69%	0.693	S	S	*	*	H	α-helix	trans	-58.6	-39.4	176.6	-99	77.7	0	0	0	112.2	K234 I235	L232-K234 PolarHBondContact O-N 3.32Å; L232-I235 PolarHBondContact O-N 3.47Å
233	K	32.1	Very low	30.6	Very low	162 Å²	162	129.9 Å²	129.9	70%	0.704	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-10.9	-177.3	-121.6	174.5	-175.8	173.6	0	114.9	T231	T231-K233 VanDerWaalsContact C-N 3.27Å; T231-K233 PolarHBondContact O-N 3.02Å
234	K	31.9	Very low	30.4	Very low	171 Å²	171	128.7 Å²	128.7	74%	0.743	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	-1.9	179.9	-148.7	176.1	-178	-177.4	0	114.1	T231 L232	T231-K234 PolarHBondContact O-N 3.03Å; L232-K234 PolarHBondContact O-N 3.32Å
235	I	32.8	Very low	29.9	Very low	128 Å²	128	126.8 Å²	126.8	66%	0.656	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-16	176.7	-64.5	172.1	0	0	0	111.2	L232	L232-I235 PolarHBondContact O-N 3.47Å
236	L	30.1	Very low	29.7	Very low	137 Å²	137	128.8 Å²	128.8	72%	0.717	71%	0.712	S	S	*	*	S	Bend	trans	-90.8	-14.4	-178.6	-77.7	160.3	0	0	0	114.9
237	D	25.5	Very low	29.3	Very low	145 Å²	145	128 Å²	128	78%	0.775	72%	0.715	S	S	*	*	S	Bend	trans	-107.4	17.7	-172.3	-79.8	-23.2	0	0	0	114.1
238	S	25.8	Very low	28.7	Very low	96 Å²	96	131.8 Å²	131.8	67%	0.671	74%	0.74	S	S	*	*			trans	-140.6	55.3	-176.7	72.5	0	0	0	0	115.2
239	S	27.9	Very low	28.3	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	75%	0.748	S	S	*	*			trans	-141.2	32.7	170.6	55.2	0	0	0	0	113.6	V241	S239-V241 PolarHBondContact O-N 3.5Å
240	S	25.2	Very low	27.7	Very low	126 Å²	126	135 Å²	135	88%	0.881	76%	0.756	S	S	*	*			trans	-78.3	96.7	167.9	-56.9	0	0	0	0	110.5
241	V	29.3	Very low	27.1	Very low	123 Å²	123	138.1 Å²	138.1	75%	0.745	77%	0.769	S	S	*	*			trans	-128.7	124	168.7	178.6	0	0	0	0	107.8	S239 I243	S239-V241 PolarHBondContact O-N 3.5Å; V241-I243 PolarHBondContact O-N 2.92Å
242	D	23.2	Very low	26.5	Very low	163 Å²	163	143.7 Å²	143.7	87%	0.872	79%	0.786	S	S	*	*			trans	-64.2	128.7	178	-67.5	-69.4	0	0	0	111.4
243	I	26.2	Very low	26.1	Very low	162 Å²	162	143.4 Å²	143.4	83%	0.831	79%	0.794	S	S	*	*			trans	-122.5	111.7	162.1	-61.5	-179.1	0	0	0	106.6	V241	V241-I243 PolarHBondContact O-N 2.92Å
244	S	26.3	Very low	25.8	Very low	109 Å²	109	143.2 Å²	143.2	76%	0.762	80%	0.795	S	S	*	*			trans	-65.5	134.2	-179.9	50.7	0	0	0	0	111.5
245	S	24.3	Very low	25.6	Very low	120 Å²	120	142.9 Å²	142.9	84%	0.839	80%	0.798	S	S	*	*			trans	-76.4	122.7	176.6	55.9	0	0	0	0	112.4
246	E	24.4	Very low	25.7	Very low	178 Å²	178	143.2 Å²	143.2	83%	0.832	80%	0.8	S	S	*	*			trans	-110.4	146.9	156.1	-71.8	-165.6	148.9	0	0	110.2
247	P	23.6	Very low	26.2	Very low	121 Å²	121	141.3 Å²	141.3	79%	0.786	79%	0.791	S	S	*	*			trans	-83.2	126.2	-174.2	32.2	-33.5	0	0	0	112.2	E249	P247-E249 PolarHBondContact O-N 3.05Å
248	V	23.9	Very low	27.9	Very low	147 Å²	147	137.6 Å²	137.6	89%	0.891	77%	0.771	S	S	*	*			trans	-80.3	113.1	169.4	-179.6	0	0	0	0	109.4
249	E	22.6	Very low	30.5	Very low	175 Å²	175	137.4 Å²	137.4	82%	0.818	76%	0.758	S	S	*	*			trans	-64.6	132.3	178	-66.9	-170	125.6	0	0	112.7	P247 K251	P247-E249 PolarHBondContact O-N 3.05Å; E249-K251 PolarHBondContact O-N 2.94Å; E249-K251 VanDerWaalsContact O-N 3.16Å
250	S	23.3	Very low	33.3	Very low	119 Å²	119	132.8 Å²	132.8	83%	0.832	72%	0.724	S	S	*	*			trans	-75.1	100.7	176.9	57.1	0	0	0	0	111.5	K252	S250-K252 PolarHBondContact O-N 3.36Å
251	K	25.9	Very low	36.2	Very low	199 Å²	199	129.9 Å²	129.9	87%	0.865	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-66.8	127.5	171.7	-70.3	-175.3	176.9	179.8	0	110.9	E249	E249-K251 PolarHBondContact O-N 2.94Å; E249-K251 VanDerWaalsContact O-N 3.16Å
252	K	21.5	Very low	38.9	Very low	202 Å²	202	124 Å²	124	88%	0.878	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-60.3	138.8	170.3	-73.6	-179.5	174.1	179.7	0	110.3	S250	S250-K252 PolarHBondContact O-N 3.36Å
253	C	22.2	Very low	41.8	Very low	123 Å²	123	120.1 Å²	120.1	83%	0.831	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-80.7	127.7	156.6	-66.1	0	0	0	0	109.1
254	E	24.8	Very low	44.4	Very low	159 Å²	159	120 Å²	120	74%	0.743	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-71.2	132.8	163.6	-69.1	179.9	139.1	0	0	108.3	K322	E254-K322 IonicContact OE1-NZ 3.57Å; E254-K322 PolarHBondContact OE1-NZ 3.45Å
255	M	28	Very low	47.3	Very low	163 Å²	163	120.3 Å²	120.3	80%	0.803	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-80.3	138.5	174.2	-78.8	-73	-76.7	0	0	109.9
256	I	35	Very low	50.2	Low	136 Å²	136	116.8 Å²	116.8	70%	0.697	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-93.4	124	177.4	-58.3	174.1	0	0	0	108.3	L258	I256-L258 WeakPolarHBondContact O-CG 3.16Å; I256-L258 PolarHBondContact O-N 3.19Å
257	D	42	Very low	53.2	Low	97 Å²	97	113.6 Å²	113.6	52%	0.519	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-62	117.8	172.2	-88.4	-6.3	0	0	0	110.4	F259 K283	D257-F259 HydrophobicContact CB-CE2 4.11Å; D257-K283 WeakPolarHBondContact OD1-CE 3.48Å; D257-K283 IonicContact OD1-NZ 2.75Å; D257-K283 PolarHBondContact OD1-NZ 2.92Å; D257-K283 WeakPolarHBondContact OD2-CE 3.32Å; D257-K283 IonicContact OD2-NZ 3.67Å; D257-K283 PolarHBondContact OD2-NZ 3.49Å
258	L	60.4	Low	55.9	Low	67 Å²	67	108.7 Å²	108.7	35%	0.351	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	106.1	-172.6	-77.5	155.4	0	0	0	110.6	I256 Y260 I284	I256-L258 WeakPolarHBondContact O-CG 3.16Å; I256-L258 PolarHBondContact O-N 3.19Å; L258-Y260 HydrophobicContact CB-CE2 4.06Å; L258-I284 PolarHBondContact O-N 3.36Å
259	F	80.9	Confident	58.3	Low	92 Å²	92	108.9 Å²	108.9	40%	0.404	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	146.1	178.3	-69.9	-90.5	0	0	0	112.4	D257 T281 L282 K283 Y313	D257-F259 HydrophobicContact CB-CE2 4.11Å; F259-T281 HydrophobicContact CD1-CG2 4.16Å; F259-L282 WeakPolarHBondContact CA-O 3.18Å; F259-K283 HydrophobicContact CD1-CB 3.95Å; F259-K283 HydrophobicContact CE1-CB 3.66Å; F259-K283 HydrophobicContact CE1-CD 4.37Å; F259-K283 HydrophobicContact CE1-CG 4.15Å; F259-K283 HydrophobicContact CZ-CB 4.26Å; F259-K283 HydrophobicContact CZ-CD 4.15Å; F259-K283 HydrophobicContact CZ-CG 4.26Å; F259-Y313 CarbonylContact C-O 3.58Å; F259-Y313 VanDerWaalsContact CB-O 3.32Å; F259-Y313 WeakPolarHBondContact CB-O 3.37Å; F259-Y313 PolarHBondContact O-N 2.81Å
260	Y	85.8	Confident	61	Low	8 Å²	8	106.4 Å²	106.4	3%	0.031	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.3	-176	-80.4	-88.8	0	0	0	111	L258 T281 L282 I284 K287 W293 L310 K311 D312 Y313	L258-Y260 HydrophobicContact CB-CE2 4.06Å; Y260-T281 CarbonylContact O-C 3.58Å; Y260-T281 WeakPolarHBondContact O-CA 3.39Å; Y260-L282 PolarHBondContact N-O 3.49Å; Y260-L282 PolarHBondContact O-N 3.3Å; Y260-I284 HydrophobicContact CD2-CB 3.88Å; Y260-I284 HydrophobicContact CD2-CG1 3.26Å; Y260-I284 HydrophobicContact CE2-CB 4.2Å; Y260-I284 HydrophobicContact CE2-CG1 3.96Å; Y260-I284 HydrophobicContact CG-CG1 3.91Å; Y260-K287 PolarHBondContact OH-NZ 3.35Å; Y260-W293 HydrophobicContact CD1-CZ3 4.12Å; Y260-W293 HydrophobicContact CD2-CZ3 4.47Å; Y260-W293 HydrophobicContact CE1-CH2 4.35Å; Y260-W293 AromaticContact CE1-CZ3 3.7Å; Y260-W293 HydrophobicContact CE1-CZ3 3.7Å; Y260-W293 AromaticContact CE2-CZ3 4Å; Y260-W293 HydrophobicContact CE2-CZ3 4Å; Y260-W293 AromaticContact CZ-CZ3 3.66Å; Y260-L310 HydrophobicContact CD1-CB 3.87Å; Y260-L310 HydrophobicContact CD1-CD1 4.48Å; Y260-L310 HydrophobicContact CG-CB 4.35Å; Y260-L310 HydrophobicContact CG-CD1 4.33Å; Y260-K311 CarbonylContact C-O 3.54Å; Y260-K311 WeakPolarHBondContact CA-O 3.44Å; Y260-K311 VanDerWaalsContact CD1-O 3.29Å; Y260-K311 WeakPolarHBondContact CD1-O 3.44Å; Y260-D312 HydrophobicContact CE1-CB 4.15Å; Y260-D312 WeakPolarHBondContact CE1-OD1 3.5Å; Y260-D312 PolarHBondContact OH-OD1 2.75Å; Y260-Y313 VanDerWaalsContact C-CB 3.44Å
261	Q	86.8	Confident	63.6	Low	64 Å²	64	109.7 Å²	109.7	30%	0.299	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136	170.2	174.8	167.7	54.2	0	0	109.4	G279 E280 L310 K311 Y313	Q261-G279 PolarHBondContact NE2-O 3.13Å; Q261-E280 VanDerWaalsContact CA-O 3.3Å; Q261-E280 WeakPolarHBondContact CA-O 3.35Å; Q261-L310 CarbonylContact O-C 3.5Å; Q261-L310 WeakPolarHBondContact O-CA 3.36Å; Q261-K311 PolarHBondContact N-O 2.87Å; Q261-K311 PolarHBondContact O-N 3.41Å; Q261-Y313 HydrophobicContact CB-CD2 3.51Å; Q261-Y313 HydrophobicContact CB-CE2 4.31Å; Q261-Y313 HydrophobicContact CB-CG 3.71Å; Q261-Y313 HydrophobicContact CG-CD2 4.25Å; Q261-Y313 VanDerWaalsContact N-CB 3.26Å
262	T	85.8	Confident	66.3	Low	1 Å²	1	106.1 Å²	106.1	1%	0.006	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	131.3	176.9	61.6	0	0	0	0	109.4	F276 K277 G279 E280 L282 F309 L310	T262-F276 HydrophobicContact CG2-CB 4.06Å; T262-F276 HydrophobicContact CG2-CD1 4.28Å; T262-F276 HydrophobicContact CG2-CD2 3.19Å; T262-F276 HydrophobicContact CG2-CE2 3.56Å; T262-F276 HydrophobicContact CG2-CG 3.59Å; T262-F276 HydrophobicContact CG2-CZ 4.26Å; T262-K277 WeakPolarHBondContact CB-O 3.46Å; T262-K277 PolarHBondContact OG1-O 3.18Å; T262-G279 WeakPolarHBondContact O-CA 3.28Å; T262-G279 PolarHBondContact O-N 3.03Å; T262-G279 PolarHBondContact OG1-N 3.28Å; T262-E280 HydrophobicContact CG2-CB 4.49Å; T262-E280 PolarHBondContact N-O 2.89Å; T262-E280 PolarHBondContact OG1-N 3.46Å; T262-E280 PolarHBondContact OG1-O 3.05Å; T262-L282 HydrophobicContact CG2-CD1 3.85Å; T262-L282 HydrophobicContact CG2-CG 4.05Å; T262-F309 CarbonylContact C-O 3.5Å; T262-F309 VanDerWaalsContact CA-O 3.29Å; T262-F309 WeakPolarHBondContact CA-O 3.23Å; T262-L310 HydrophobicContact CG2-CD2 3.89Å
263	I	83.6	Confident	69.5	Low	81 Å²	81	97.1 Å²	97.1	42%	0.415	49%	0.488	S	S	.	.	S	Bend	trans	-100.4	-7.6	179.2	56.6	162.7	0	0	0	113	S278 F309 K311	I263-S278 PolarHBondContact O-OG 3.36Å; I263-F309 WeakPolarHBondContact CG1-O 3.45Å; I263-F309 PolarHBondContact N-O 3.15Å; I263-K311 HydrophobicContact CG2-CB 3.65Å; I263-K311 HydrophobicContact CG2-CD 4.29Å
264	R	81.3	Confident	72.6	Confident	160 Å²	160	91.3 Å²	91.3	60%	0.604	45%	0.448	S	S	*	.	S	Bend	trans	-146.6	162.5	177.2	-67.8	-176.7	-178.4	-174.9	-0.2	108.8	F276 S278 F309	R264-F276 WeakPolarHBondContact O-CE2 3.37Å; R264-S278 PolarHBondContact N-OG 3.1Å; R264-F309 HydrophobicContact CB-CD1 3.5Å; R264-F309 VanDerWaalsContact CB-CD1 3.5Å; R264-F309 HydrophobicContact CB-CE1 3.89Å; R264-F309 HydrophobicContact CB-CG 4.3Å
265	Q	86.5	Confident	75.6	Confident	114 Å²	114	86.5 Å²	86.5	53%	0.533	43%	0.433	S	S	.	.			trans	-78.8	139.8	169.2	175.1	173	-7.5	0	0	109.9	F276 F309	Q265-F276 WeakPolarHBondContact CA-O 3.15Å; Q265-F276 WeakPolarHBondContact CG-O 3Å; Q265-F309 WeakPolarHBondContact O-CE1 3.31Å
266	W	85.7	Confident	78.5	Confident	47 Å²	47	79 Å²	79	18%	0.178	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-122.9	137.2	169.2	-179.6	-112.7	0	0	0	109.4	S275 F276 W292 P306 F309	W266-S275 WeakPolarHBondContact O-CA 3.36Å; W266-F276 HydrophobicContact CB-CD1 4.02Å; W266-F276 HydrophobicContact CB-CD2 3.87Å; W266-F276 HydrophobicContact CB-CE1 3.54Å; W266-F276 HydrophobicContact CB-CE2 3.41Å; W266-F276 VanDerWaalsContact CB-CE2 3.41Å; W266-F276 HydrophobicContact CB-CG 4.17Å; W266-F276 HydrophobicContact CB-CZ 3.24Å; W266-F276 AromaticContact CD1-CE1 3.86Å; W266-F276 AromaticContact CG-CE1 3.95Å; W266-F276 HydrophobicContact CG-CE1 3.95Å; W266-F276 AromaticContact CG-CZ 3.96Å; W266-F276 HydrophobicContact CG-CZ 3.96Å; W266-F276 PolarHBondContact N-O 3.23Å; W266-F276 PolarHBondContact O-N 2.97Å; W266-W292 AromaticContact CH2-CH2 3.84Å; W266-W292 HydrophobicContact CH2-CH2 3.84Å; W266-W292 AromaticContact CZ2-CH2 3.54Å; W266-W292 HydrophobicContact CZ2-CH2 3.54Å; W266-W292 AromaticContact CZ2-CZ3 3.86Å; W266-W292 HydrophobicContact CZ2-CZ3 3.86Å; W266-P306 HydrophobicContact CD2-CG 3.79Å; W266-P306 HydrophobicContact CE3-CG 3.99Å; W266-P306 HydrophobicContact CG-CG 4.1Å; W266-F309 HydrophobicContact CB-CD1 4.19Å; W266-F309 HydrophobicContact CE3-CD1 4.42Å; W266-F309 AromaticContact CE3-CE1 3.89Å; W266-F309 HydrophobicContact CE3-CE1 3.89Å; W266-F309 HydrophobicContact CE3-CE2 4.3Å; W266-F309 AromaticContact CE3-CZ 3.83Å; W266-F309 HydrophobicContact CE3-CZ 3.83Å; W266-F309 HydrophobicContact CZ3-CZ 4.21Å
267	I	87	Confident	80.9	Confident	111 Å²	111	78.9 Å²	78.9	57%	0.569	39%	0.39	S	S	*	.			trans	-118.3	122.8	167.4	-58	176.4	0	0	0	104.3
268	G	80.9	Confident	83	Confident	18 Å²	18	77.7 Å²	77.7	19%	0.186	39%	0.389	C	S	.	.			trans	-70.5	141.5	177.9	0	0	0	0	0	111.6	D273 S275	G268-D273 VanDerWaalsContact CA-OD2 3.25Å; G268-D273 WeakPolarHBondContact CA-OD2 3.24Å; G268-S275 PolarHBondContact N-OG 3.16Å
269	D	73.4	Confident	84	Confident	150 Å²	150	76.3 Å²	76.3	80%	0.802	39%	0.391	S	S	*	.	S	Bend	trans	-95.2	-30	176.3	-76.1	-36.9	0	0	0	111.3	D273	D269-D273 PolarHBondContact N-OD2 3.25Å
270	D	80.4	Confident	84.3	Confident	124 Å²	124	75.3 Å²	75.3	66%	0.663	39%	0.387	S	S	*	.	S	Bend	trans	-103.6	159.5	178.5	-76.7	-41.2	0	0	0	112.5	D272 D273	D270-D272 VanDerWaalsContact C-N 3.26Å; D270-D272 PolarHBondContact O-N 3.31Å; D270-D273 PolarHBondContact N-OD2 3.43Å; D270-D273 WeakPolarHBondContact O-CB 3.24Å; D270-D273 PolarHBondContact O-N 2.87Å; D270-D273 VanDerWaalsContact O-N 3.11Å
271	E	77	Confident	84.4	Confident	188 Å²	188	76.2 Å²	76.2	88%	0.879	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-31.5	-178.9	-65.1	-169.9	159.2	0	0	113.4	D273	E271-D273 VanDerWaalsContact C-N 3.26Å; E271-D273 PolarHBondContact O-N 3.43Å
272	D	84.2	Confident	84.4	Confident	123 Å²	123	73.2 Å²	73.2	66%	0.658	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-11.4	177.4	-68	-36.1	0	0	0	113.3	D270 G303 L304	D270-D272 VanDerWaalsContact C-N 3.26Å; D270-D272 PolarHBondContact O-N 3.31Å; D272-G303 CarbonylContact O-C 3.44Å; D272-G303 WeakPolarHBondContact O-CA 3.29Å; D272-L304 HydrophobicContact CB-CD1 4.2Å; D272-L304 PolarHBondContact O-N 3.06Å
273	D	87.3	Confident	84.5	Confident	13 Å²	13	75.7 Å²	75.7	7%	0.07	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-77.8	145.9	-179.5	-77	-24.5	0	0	0	112.4	G268 D269 D270 E271 K301	G268-D273 VanDerWaalsContact CA-OD2 3.25Å; G268-D273 WeakPolarHBondContact CA-OD2 3.24Å; D269-D273 PolarHBondContact N-OD2 3.25Å; D270-D273 PolarHBondContact N-OD2 3.43Å; D270-D273 WeakPolarHBondContact O-CB 3.24Å; D270-D273 PolarHBondContact O-N 2.87Å; D270-D273 VanDerWaalsContact O-N 3.11Å; E271-D273 VanDerWaalsContact C-N 3.26Å; E271-D273 PolarHBondContact O-N 3.43Å; D273-K301 PolarHBondContact O-NZ 2.81Å
274	L	87.1	Confident	84.8	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.005	37%	0.373	C	S	.	.			trans	-102.5	102.1	171	179.1	60.5	0	0	0	109.9	F276 L282 G295 N297 K301 L304 V305	L274-F276 WeakPolarHBondContact O-CD1 3.48Å; L274-L282 HydrophobicContact CD2-CD2 4.15Å; L274-G295 WeakPolarHBondContact CD2-O 3.3Å; L274-N297 HydrophobicContact CD1-CB 4.14Å; L274-N297 HydrophobicContact CD2-CB 4.21Å; L274-K301 HydrophobicContact CD1-CB 3.99Å; L274-K301 HydrophobicContact CD1-CD 3.87Å; L274-K301 HydrophobicContact CD1-CG 4.23Å; L274-K301 WeakPolarHBondContact CD1-O 3.38Å; L274-L304 PolarHBondContact N-O 3.5Å; L274-V305 HydrophobicContact CB-CG1 3.69Å; L274-V305 HydrophobicContact CD2-CG1 3.99Å; L274-V305 HydrophobicContact CG-CG1 4.08Å
275	S	89.6	Confident	84.9	Confident	59 Å²	59	67.3 Å²	67.3	41%	0.413	36%	0.358	S	S	.	.			trans	-67	138.1	171.4	-61.9	0	0	0	0	111.1	W266 G268	W266-S275 WeakPolarHBondContact O-CA 3.36Å; G268-S275 PolarHBondContact N-OG 3.16Å
276	F	88.4	Confident	84.9	Confident	6 Å²	6	66.8 Å²	66.8	3%	0.026	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-148.7	150.3	-180	54.4	-103.1	0	0	0	112.1	T262 R264 Q265 W266 L274 E280 L282 V305 F309 L310	T262-F276 HydrophobicContact CG2-CB 4.06Å; T262-F276 HydrophobicContact CG2-CD1 4.28Å; T262-F276 HydrophobicContact CG2-CD2 3.19Å; T262-F276 HydrophobicContact CG2-CE2 3.56Å; T262-F276 HydrophobicContact CG2-CG 3.59Å; T262-F276 HydrophobicContact CG2-CZ 4.26Å; R264-F276 WeakPolarHBondContact O-CE2 3.37Å; Q265-F276 WeakPolarHBondContact CA-O 3.15Å; Q265-F276 WeakPolarHBondContact CG-O 3Å; W266-F276 HydrophobicContact CB-CD1 4.02Å; W266-F276 HydrophobicContact CB-CD2 3.87Å; W266-F276 HydrophobicContact CB-CE1 3.54Å; W266-F276 HydrophobicContact CB-CE2 3.41Å; W266-F276 VanDerWaalsContact CB-CE2 3.41Å; W266-F276 HydrophobicContact CB-CG 4.17Å; W266-F276 HydrophobicContact CB-CZ 3.24Å; W266-F276 AromaticContact CD1-CE1 3.86Å; W266-F276 AromaticContact CG-CE1 3.95Å; W266-F276 HydrophobicContact CG-CE1 3.95Å; W266-F276 AromaticContact CG-CZ 3.96Å; W266-F276 HydrophobicContact CG-CZ 3.96Å; W266-F276 PolarHBondContact N-O 3.23Å; W266-F276 PolarHBondContact O-N 2.97Å; L274-F276 WeakPolarHBondContact O-CD1 3.48Å; F276-E280 VanDerWaalsContact CA-OE2 3.31Å; F276-E280 WeakPolarHBondContact CA-OE2 3.27Å; F276-E280 WeakPolarHBondContact CB-OE2 3.47Å; F276-L282 HydrophobicContact CD1-CD1 3.9Å; F276-L282 HydrophobicContact CE1-CD1 4.3Å; F276-L282 HydrophobicContact CG-CD1 4.33Å; F276-V305 HydrophobicContact CD1-CB 4.4Å; F276-V305 HydrophobicContact CD1-CG1 3.72Å; F276-V305 HydrophobicContact CE1-CB 3.68Å; F276-V305 HydrophobicContact CE1-CG1 3.47Å; F276-V305 VanDerWaalsContact CE1-CG1 3.47Å; F276-F309 HydrophobicContact CE2-CB 3.88Å; F276-F309 HydrophobicContact CE2-CD1 4.37Å; F276-F309 HydrophobicContact CZ-CB 3.69Å; F276-F309 HydrophobicContact CZ-CG 4.39Å; F276-L310 HydrophobicContact CZ-CD2 4.35Å
277	K	85.9	Confident	84.9	Confident	133 Å²	133	68.6 Å²	68.6	58%	0.578	37%	0.365	S	S	*	.			trans	-87.6	162.9	171.8	-59.8	175.5	-178.7	173.8	0	110.5	T262 E280	T262-K277 WeakPolarHBondContact CB-O 3.46Å; T262-K277 PolarHBondContact OG1-O 3.18Å; K277-E280 HydrophobicContact CB-CG 4.2Å; K277-E280 WeakPolarHBondContact CB-OE1 3.18Å; K277-E280 VanDerWaalsContact N-CD 3.3Å; K277-E280 PolarHBondContact N-OE2 2.89Å
278	S	86.1	Confident	84.4	Confident	71 Å²	71	65.1 Å²	65.1	50%	0.497	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	137.3	173.9	-164.3	0	0	0	0	111.2	I263 R264	I263-S278 PolarHBondContact O-OG 3.36Å; R264-S278 PolarHBondContact N-OG 3.1Å
279	G	80.6	Confident	84	Confident	38 Å²	38	70.5 Å²	70.5	39%	0.392	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-9.8	179.9	0	0	0	0	0	115.5	Q261 T262	Q261-G279 PolarHBondContact NE2-O 3.13Å; T262-G279 WeakPolarHBondContact O-CA 3.28Å; T262-G279 PolarHBondContact O-N 3.03Å; T262-G279 PolarHBondContact OG1-N 3.28Å
280	E	87.1	Confident	83.9	Confident	71 Å²	71	64.6 Å²	64.6	33%	0.332	34%	0.341	S	S	.	.			trans	-68.5	154.7	178	-70	177.9	172.1	0	0	112.2	Q261 T262 F276 K277	Q261-E280 VanDerWaalsContact CA-O 3.3Å; Q261-E280 WeakPolarHBondContact CA-O 3.35Å; T262-E280 HydrophobicContact CG2-CB 4.49Å; T262-E280 PolarHBondContact N-O 2.89Å; T262-E280 PolarHBondContact OG1-N 3.46Å; T262-E280 PolarHBondContact OG1-O 3.05Å; F276-E280 VanDerWaalsContact CA-OE2 3.31Å; F276-E280 WeakPolarHBondContact CA-OE2 3.27Å; F276-E280 WeakPolarHBondContact CB-OE2 3.47Å; K277-E280 HydrophobicContact CB-CG 4.2Å; K277-E280 WeakPolarHBondContact CB-OE1 3.18Å; K277-E280 VanDerWaalsContact N-CD 3.3Å; K277-E280 PolarHBondContact N-OE2 2.89Å
281	T	87.1	Confident	83.7	Confident	28 Å²	28	59.2 Å²	59.2	17%	0.172	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.2	176.3	-54.2	0	0	0	0	110.3	F259 Y260 Y313	F259-T281 HydrophobicContact CD1-CG2 4.16Å; Y260-T281 CarbonylContact O-C 3.58Å; Y260-T281 WeakPolarHBondContact O-CA 3.39Å; T281-Y313 HydrophobicContact CG2-CD1 3.55Å; T281-Y313 HydrophobicContact CG2-CE1 3.74Å; T281-Y313 VanDerWaalsContact OG1-CE1 3.27Å; T281-Y313 WeakPolarHBondContact OG1-CE1 3.42Å
282	L	86.8	Confident	84.1	Confident	1 Å²	1	53 Å²	53	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145.7	175.3	-55.4	179.9	0	0	0	110.1	F259 Y260 T262 L274 F276 E296 N297 V305 L310	F259-L282 WeakPolarHBondContact CA-O 3.18Å; Y260-L282 PolarHBondContact N-O 3.49Å; Y260-L282 PolarHBondContact O-N 3.3Å; T262-L282 HydrophobicContact CG2-CD1 3.85Å; T262-L282 HydrophobicContact CG2-CG 4.05Å; L274-L282 HydrophobicContact CD2-CD2 4.15Å; F276-L282 HydrophobicContact CD1-CD1 3.9Å; F276-L282 HydrophobicContact CE1-CD1 4.3Å; F276-L282 HydrophobicContact CG-CD1 4.33Å; L282-E296 CarbonylContact C-O 3.44Å; L282-E296 WeakPolarHBondContact CA-O 3.45Å; L282-N297 HydrophobicContact CD2-CB 3.68Å; L282-V305 HydrophobicContact CD1-CB 4.37Å; L282-V305 HydrophobicContact CD1-CG1 3.87Å; L282-V305 HydrophobicContact CD1-CG2 4.31Å; L282-L310 HydrophobicContact CD1-CD2 3.93Å
283	K	89	Confident	84.4	Confident	52 Å²	52	48.9 Å²	48.9	23%	0.226	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	125.3	163.3	178.3	173.7	169.9	163.9	0	107.9	D257 F259 L285 G295 E296	D257-K283 WeakPolarHBondContact OD1-CE 3.48Å; D257-K283 IonicContact OD1-NZ 2.75Å; D257-K283 PolarHBondContact OD1-NZ 2.92Å; D257-K283 WeakPolarHBondContact OD2-CE 3.32Å; D257-K283 IonicContact OD2-NZ 3.67Å; D257-K283 PolarHBondContact OD2-NZ 3.49Å; F259-K283 HydrophobicContact CD1-CB 3.95Å; F259-K283 HydrophobicContact CE1-CB 3.66Å; F259-K283 HydrophobicContact CE1-CD 4.37Å; F259-K283 HydrophobicContact CE1-CG 4.15Å; F259-K283 HydrophobicContact CZ-CB 4.26Å; F259-K283 HydrophobicContact CZ-CD 4.15Å; F259-K283 HydrophobicContact CZ-CG 4.26Å; K283-L285 HydrophobicContact CD-CD2 3.99Å; K283-L285 HydrophobicContact CG-CD2 4.01Å; K283-G295 CarbonylContact O-C 3.5Å; K283-G295 WeakPolarHBondContact O-CA 3.44Å; K283-E296 HydrophobicContact CB-CB 4.42Å; K283-E296 PolarHBondContact N-O 3.22Å; K283-E296 PolarHBondContact O-N 2.93Å
284	I	89.5	Confident	84.5	Confident	8 Å²	8	50.6 Å²	50.6	4%	0.041	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	119.7	173.4	-63	-59.9	0	0	0	108.8	L258 Y260 E286 K287 W293 V305 L310	L258-I284 PolarHBondContact O-N 3.36Å; Y260-I284 HydrophobicContact CD2-CB 3.88Å; Y260-I284 HydrophobicContact CD2-CG1 3.26Å; Y260-I284 HydrophobicContact CE2-CB 4.2Å; Y260-I284 HydrophobicContact CE2-CG1 3.96Å; Y260-I284 HydrophobicContact CG-CG1 3.91Å; I284-E286 WeakPolarHBondContact CG2-O 3.42Å; I284-K287 HydrophobicContact CG2-CG 3.66Å; I284-W293 HydrophobicContact CD1-CB 4.11Å; I284-W293 HydrophobicContact CD1-CE3 4.43Å; I284-W293 HydrophobicContact CG1-CE3 4.15Å; I284-W293 HydrophobicContact CG2-CB 3.93Å; I284-W293 HydrophobicContact CG2-CD2 4.46Å; I284-W293 HydrophobicContact CG2-CE3 4.17Å; I284-W293 HydrophobicContact CG2-CG 4.41Å; I284-V305 HydrophobicContact CD1-CG2 3.57Å; I284-L310 HydrophobicContact CD1-CD1 3.83Å; I284-L310 HydrophobicContact CG1-CD1 4.29Å
285	L	84.5	Confident	84.6	Confident	57 Å²	57	50.6 Å²	50.6	30%	0.298	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-42.1	-177.3	-56.3	178.3	0	0	0	111.1	K283 L294 E296 Q302	K283-L285 HydrophobicContact CD-CD2 3.99Å; K283-L285 HydrophobicContact CG-CD2 4.01Å; L285-L294 HydrophobicContact CB-CD2 4.21Å; L285-L294 HydrophobicContact CB-CG 4.27Å; L285-L294 HydrophobicContact CD1-CD2 4.24Å; L285-L294 HydrophobicContact CD1-CG 4.28Å; L285-L294 PolarHBondContact N-O 3.39Å; L285-E296 HydrophobicContact CD1-CB 4.22Å; L285-E296 HydrophobicContact CG-CB 4.41Å; L285-Q302 HydrophobicContact CD1-CG 3.9Å
286	E	85.9	Confident	84.7	Confident	103 Å²	103	50.3 Å²	50.3	48%	0.481	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	141.5	-178.8	-169.5	159.3	-150.1	0	0	110.6	I284 W293 L294	I284-E286 WeakPolarHBondContact CG2-O 3.42Å; E286-W293 WeakPolarHBondContact O-CA 3.42Å; E286-W293 WeakPolarHBondContact O-CB 3.11Å; E286-L294 HydrophobicContact CB-CB 3.95Å; E286-L294 PolarHBondContact O-N 2.83Å
287	K	85.6	Confident	84.6	Confident	85 Å²	85	51 Å²	51	37%	0.37	26%	0.263	S	S	.	.			trans	-118.9	96.5	-177.5	-74.4	-173.9	171.5	-178	0	110.5	Y260 I284 W293	Y260-K287 PolarHBondContact OH-NZ 3.35Å; I284-K287 HydrophobicContact CG2-CG 3.66Å; K287-W293 HydrophobicContact CB-CD2 4.4Å; K287-W293 HydrophobicContact CB-CG 4.38Å; K287-W293 HydrophobicContact CD-CD2 4.47Å; K287-W293 HydrophobicContact CD-CH2 4.35Å; K287-W293 HydrophobicContact CD-CZ2 4.23Å; K287-W293 HydrophobicContact CG-CD2 3.86Å; K287-W293 HydrophobicContact CG-CE3 4.22Å; K287-W293 HydrophobicContact CG-CG 4.14Å; K287-W293 HydrophobicContact CG-CZ2 4.4Å
288	D	76.3	Confident	84.2	Confident	39 Å²	39	52.1 Å²	52.1	21%	0.209	27%	0.273	C	S	.	.			trans	-76.8	146	171.2	-90.3	-49.2	0	0	0	112.9	Q21 D290 G291 W293	Q21-D288 PolarHBondContact NE2-OD1 3.02Å; Q21-D288 VanDerWaalsContact NE2-OD1 3.09Å; D288-D290 WeakPolarHBondContact CB-OD1 3.48Å; D288-D290 PolarHBondContact O-N 2.9Å; D288-G291 PolarHBondContact O-N 3.05Å; D288-W293 VanDerWaalsContact O-CD1 3.31Å; D288-W293 PolarHBondContact O-NE1 2.92Å
289	D	73.1	Confident	83.8	Confident	130 Å²	130	56.7 Å²	56.7	70%	0.695	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-2.1	177.2	-85.3	-40	0	0	0	113.8	K46	K46-D289 WeakPolarHBondContact CE-O 3.41Å; K46-D289 PolarHBondContact NZ-O 2.92Å
290	D	69.6	Low	83.9	Confident	27 Å²	27	57 Å²	57	14%	0.144	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-8.9	171.4	72.6	-10.6	0	0	0	114.3	Q21 R24 D288 W292	Q21-D290 HydrophobicContact CB-CB 3.62Å; Q21-D290 HydrophobicContact CG-CB 3.54Å; R24-D290 WeakPolarHBondContact CD-OD2 3.37Å; R24-D290 IonicContact CZ-OD2 3.12Å; R24-D290 IonicContact NE-OD2 3.95Å; R24-D290 IonicContact NH1-OD1 2.65Å; R24-D290 IonicContact NH1-OD2 2.73Å; R24-D290 PolarHBondContact NH1-OD2 2.96Å; D288-D290 WeakPolarHBondContact CB-OD1 3.48Å; D288-D290 PolarHBondContact O-N 2.9Å; D290-W292 PolarHBondContact OD1-N 2.88Å
291	G	77.1	Confident	83.7	Confident	10 Å²	10	58.3 Å²	58.3	10%	0.103	30%	0.295	C	S	.	.	S	Bend	trans	81.8	17.4	-176.7	0	0	0	0	0	114.9	D288 P306 M307	D288-G291 PolarHBondContact O-N 3.05Å; G291-P306 CarbonylContact O-C 3.53Å; G291-P306 WeakPolarHBondContact O-CA 3.36Å; G291-M307 PolarHBondContact O-N 2.85Å
292	W	85.3	Confident	83.9	Confident	59 Å²	59	61.9 Å²	61.9	22%	0.223	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	96	167.6	-69.4	84.4	0	0	0	109.2	W266 D290 L304 P306	W266-W292 AromaticContact CH2-CH2 3.84Å; W266-W292 HydrophobicContact CH2-CH2 3.84Å; W266-W292 AromaticContact CZ2-CH2 3.54Å; W266-W292 HydrophobicContact CZ2-CH2 3.54Å; W266-W292 AromaticContact CZ2-CZ3 3.86Å; W266-W292 HydrophobicContact CZ2-CZ3 3.86Å; D290-W292 PolarHBondContact OD1-N 2.88Å; W292-L304 HydrophobicContact CE3-CB 4.37Å; W292-P306 HydrophobicContact CD2-CB 4.4Å; W292-P306 HydrophobicContact CE3-CB 4.17Å; W292-P306 HydrophobicContact CH2-CB 3.99Å; W292-P306 HydrophobicContact CH2-CG 4.22Å; W292-P306 HydrophobicContact CZ2-CB 4.2Å; W292-P306 HydrophobicContact CZ3-CB 3.98Å; W292-P306 HydrophobicContact CZ3-CG 4.08Å
293	W	90.9	Very high	84.1	Confident	35 Å²	35	62.1 Å²	62.1	13%	0.133	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	149.8	-174.9	-63	-10.8	0	0	0	110.9	Y260 I284 E286 K287 D288 G295 L304 V305 M307 L310	Y260-W293 HydrophobicContact CD1-CZ3 4.12Å; Y260-W293 HydrophobicContact CD2-CZ3 4.47Å; Y260-W293 HydrophobicContact CE1-CH2 4.35Å; Y260-W293 AromaticContact CE1-CZ3 3.7Å; Y260-W293 HydrophobicContact CE1-CZ3 3.7Å; Y260-W293 AromaticContact CE2-CZ3 4Å; Y260-W293 HydrophobicContact CE2-CZ3 4Å; Y260-W293 AromaticContact CZ-CZ3 3.66Å; I284-W293 HydrophobicContact CD1-CB 4.11Å; I284-W293 HydrophobicContact CD1-CE3 4.43Å; I284-W293 HydrophobicContact CG1-CE3 4.15Å; I284-W293 HydrophobicContact CG2-CB 3.93Å; I284-W293 HydrophobicContact CG2-CD2 4.46Å; I284-W293 HydrophobicContact CG2-CE3 4.17Å; I284-W293 HydrophobicContact CG2-CG 4.41Å; E286-W293 WeakPolarHBondContact O-CA 3.42Å; E286-W293 WeakPolarHBondContact O-CB 3.11Å; K287-W293 HydrophobicContact CB-CD2 4.4Å; K287-W293 HydrophobicContact CB-CG 4.38Å; K287-W293 HydrophobicContact CD-CD2 4.47Å; K287-W293 HydrophobicContact CD-CH2 4.35Å; K287-W293 HydrophobicContact CD-CZ2 4.23Å; K287-W293 HydrophobicContact CG-CD2 3.86Å; K287-W293 HydrophobicContact CG-CE3 4.22Å; K287-W293 HydrophobicContact CG-CG 4.14Å; K287-W293 HydrophobicContact CG-CZ2 4.4Å; D288-W293 VanDerWaalsContact O-CD1 3.31Å; D288-W293 PolarHBondContact O-NE1 2.92Å; W293-G295 PolarHBondContact O-N 3.04Å; W293-L304 WeakPolarHBondContact O-CA 3.42Å; W293-V305 HydrophobicContact CB-CG2 4.36Å; W293-V305 PolarHBondContact N-O 3.49Å; W293-V305 VanDerWaalsContact O-CG2 3.29Å; W293-V305 WeakPolarHBondContact O-CG2 3.43Å; W293-V305 PolarHBondContact O-N 3.34Å; W293-M307 HydrophobicContact CD2-CB 3.73Å; W293-M307 HydrophobicContact CE3-CB 3.99Å; W293-M307 HydrophobicContact CG-CB 4.3Å; W293-M307 HydrophobicContact CH2-CB 4.01Å; W293-M307 HydrophobicContact CH2-SD 4.38Å; W293-M307 HydrophobicContact CZ2-CB 3.76Å; W293-M307 HydrophobicContact CZ2-CG 4.29Å; W293-M307 HydrophobicContact CZ2-SD 3.58Å; W293-M307 VanDerWaalsContact CZ2-SD 3.58Å; W293-M307 HydrophobicContact CZ3-CB 4.12Å; W293-L310 HydrophobicContact CE3-CD1 3.83Å; W293-L310 HydrophobicContact CZ3-CD1 4.29Å
294	L	89.4	Confident	84.2	Confident	50 Å²	50	61 Å²	61	26%	0.262	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	109.7	173	-176.1	62.9	0	0	0	108.6	L285 E286	L285-L294 HydrophobicContact CB-CD2 4.21Å; L285-L294 HydrophobicContact CB-CG 4.27Å; L285-L294 HydrophobicContact CD1-CD2 4.24Å; L285-L294 HydrophobicContact CD1-CG 4.28Å; L285-L294 PolarHBondContact N-O 3.39Å; E286-L294 HydrophobicContact CB-CB 3.95Å; E286-L294 PolarHBondContact O-N 2.83Å
295	G	89.2	Confident	84.2	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	157.4	178.4	0	0	0	0	0	112.9	L274 K283 W293 Q302 G303	L274-G295 WeakPolarHBondContact CD2-O 3.3Å; K283-G295 CarbonylContact O-C 3.5Å; K283-G295 WeakPolarHBondContact O-CA 3.44Å; W293-G295 PolarHBondContact O-N 3.04Å; G295-Q302 CarbonylContact O-C 3.58Å; G295-Q302 VanDerWaalsContact O-CA 3.23Å; G295-Q302 WeakPolarHBondContact O-CA 3.33Å; G295-G303 PolarHBondContact N-O 2.97Å; G295-G303 PolarHBondContact O-N 3.39Å; G295-G303 VanDerWaalsContact O-O 3.13Å
296	E	90.8	Very high	84.3	Confident	54 Å²	54	58 Å²	58	25%	0.252	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.3	168.5	-169.1	178.7	123.1	0	0	108.7	L282 K283 L285 K301 Q302	L282-E296 CarbonylContact C-O 3.44Å; L282-E296 WeakPolarHBondContact CA-O 3.45Å; K283-E296 HydrophobicContact CB-CB 4.42Å; K283-E296 PolarHBondContact N-O 3.22Å; K283-E296 PolarHBondContact O-N 2.93Å; L285-E296 HydrophobicContact CD1-CB 4.22Å; L285-E296 HydrophobicContact CG-CB 4.41Å; E296-K301 WeakPolarHBondContact CA-O 3.41Å; E296-Q302 HydrophobicContact CB-CG 3.95Å; E296-Q302 HydrophobicContact CG-CG 3.74Å; E296-Q302 PolarHBondContact OE2-NE2 3.35Å
297	N	87.2	Confident	84.4	Confident	21 Å²	21	57.4 Å²	57.4	11%	0.112	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	172.7	176.6	76.9	3.5	0	0	0	112.2	L274 L282 Q299 G300 K301	L274-N297 HydrophobicContact CD1-CB 4.14Å; L274-N297 HydrophobicContact CD2-CB 4.21Å; L282-N297 HydrophobicContact CD2-CB 3.68Å; N297-Q299 PolarHBondContact O-N 3.3Å; N297-Q299 WeakPolarHBondContact OD1-CA 3.44Å; N297-Q299 WeakPolarHBondContact OD1-CB 3.32Å; N297-Q299 PolarHBondContact OD1-N 3.39Å; N297-G300 PolarHBondContact O-N 3.44Å; N297-G300 PolarHBondContact OD1-N 3.32Å; N297-K301 PolarHBondContact N-O 3.37Å; N297-K301 PolarHBondContact OD1-N 3.05Å
298	I	77.6	Confident	84.4	Confident	155 Å²	155	58 Å²	58	80%	0.795	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-2.6	177.4	63	170.3	0	0	0	115.3
299	Q	77.8	Confident	84.8	Confident	168 Å²	168	57.9 Å²	57.9	79%	0.785	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	2.5	175.2	-51.9	-179.1	-57.1	0	0	112.2	N297 K301	N297-Q299 PolarHBondContact O-N 3.3Å; N297-Q299 WeakPolarHBondContact OD1-CA 3.44Å; N297-Q299 WeakPolarHBondContact OD1-CB 3.32Å; N297-Q299 PolarHBondContact OD1-N 3.39Å; Q299-K301 VanDerWaalsContact C-N 3.26Å; Q299-K301 PolarHBondContact O-N 3.23Å
300	G	81.6	Confident	85.4	Confident	44 Å²	44	52.4 Å²	52.4	45%	0.454	27%	0.267	S	S	.	.	S	Bend	trans	74.3	8.8	-174.5	0	0	0	0	0	114.3	N297 Q302	N297-G300 PolarHBondContact O-N 3.44Å; N297-G300 PolarHBondContact OD1-N 3.32Å; G300-Q302 PolarHBondContact O-N 3.19Å
301	K	84.3	Confident	86	Confident	98 Å²	98	56.8 Å²	56.8	43%	0.426	29%	0.285	S	S	.	.			trans	-74.6	118.5	170.3	-160.6	-153.2	171.1	-161.5	0	108	D273 L274 E296 N297 Q299	D273-K301 PolarHBondContact O-NZ 2.81Å; L274-K301 HydrophobicContact CD1-CB 3.99Å; L274-K301 HydrophobicContact CD1-CD 3.87Å; L274-K301 HydrophobicContact CD1-CG 4.23Å; L274-K301 WeakPolarHBondContact CD1-O 3.38Å; E296-K301 WeakPolarHBondContact CA-O 3.41Å; N297-K301 PolarHBondContact N-O 3.37Å; N297-K301 PolarHBondContact OD1-N 3.05Å; Q299-K301 VanDerWaalsContact C-N 3.26Å; Q299-K301 PolarHBondContact O-N 3.23Å
302	Q	91.4	Very high	86.1	Confident	104 Å²	104	58.7 Å²	58.7	49%	0.486	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	156.3	169.3	-66	177.2	-3.3	0	0	110.9	L285 G295 E296 G300	L285-Q302 HydrophobicContact CD1-CG 3.9Å; G295-Q302 CarbonylContact O-C 3.58Å; G295-Q302 VanDerWaalsContact O-CA 3.23Å; G295-Q302 WeakPolarHBondContact O-CA 3.33Å; E296-Q302 HydrophobicContact CB-CG 3.95Å; E296-Q302 HydrophobicContact CG-CG 3.74Å; E296-Q302 PolarHBondContact OE2-NE2 3.35Å; G300-Q302 PolarHBondContact O-N 3.19Å
303	G	90.7	Very high	84.7	Confident	6 Å²	6	58.1 Å²	58.1	6%	0.062	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.8	174.2	172.7	0	0	0	0	0	112.4	D272 G295	D272-G303 CarbonylContact O-C 3.44Å; D272-G303 WeakPolarHBondContact O-CA 3.29Å; G295-G303 PolarHBondContact N-O 2.97Å; G295-G303 PolarHBondContact O-N 3.39Å; G295-G303 VanDerWaalsContact O-O 3.13Å
304	L	89.7	Confident	82.2	Confident	27 Å²	27	59.8 Å²	59.8	14%	0.141	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	140.7	-175.1	-66.3	162.2	0	0	0	111.7	D272 L274 W292 W293	D272-L304 HydrophobicContact CB-CD1 4.2Å; D272-L304 PolarHBondContact O-N 3.06Å; L274-L304 PolarHBondContact N-O 3.5Å; W292-L304 HydrophobicContact CE3-CB 4.37Å; W293-L304 WeakPolarHBondContact O-CA 3.42Å
305	V	90.3	Very high	79.7	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	131.4	-179.4	-64.9	0	0	0	0	112.1	L274 F276 L282 I284 W293 M307 L310	L274-V305 HydrophobicContact CB-CG1 3.69Å; L274-V305 HydrophobicContact CD2-CG1 3.99Å; L274-V305 HydrophobicContact CG-CG1 4.08Å; F276-V305 HydrophobicContact CD1-CB 4.4Å; F276-V305 HydrophobicContact CD1-CG1 3.72Å; F276-V305 HydrophobicContact CE1-CB 3.68Å; F276-V305 HydrophobicContact CE1-CG1 3.47Å; F276-V305 VanDerWaalsContact CE1-CG1 3.47Å; L282-V305 HydrophobicContact CD1-CB 4.37Å; L282-V305 HydrophobicContact CD1-CG1 3.87Å; L282-V305 HydrophobicContact CD1-CG2 4.31Å; I284-V305 HydrophobicContact CD1-CG2 3.57Å; W293-V305 HydrophobicContact CB-CG2 4.36Å; W293-V305 PolarHBondContact N-O 3.49Å; W293-V305 VanDerWaalsContact O-CG2 3.29Å; W293-V305 WeakPolarHBondContact O-CG2 3.43Å; W293-V305 PolarHBondContact O-N 3.34Å; V305-M307 PolarHBondContact O-N 2.92Å; V305-L310 HydrophobicContact CG2-CD1 3.88Å
306	P	87.3	Confident	76.9	Confident	4 Å²	4	69.8 Å²	69.8	3%	0.026	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	121	-178.5	27.6	-32.7	0	0	0	111.3	W266 G291 W292 N308 F309	W266-P306 HydrophobicContact CD2-CG 3.79Å; W266-P306 HydrophobicContact CE3-CG 3.99Å; W266-P306 HydrophobicContact CG-CG 4.1Å; G291-P306 CarbonylContact O-C 3.53Å; G291-P306 WeakPolarHBondContact O-CA 3.36Å; W292-P306 HydrophobicContact CD2-CB 4.4Å; W292-P306 HydrophobicContact CE3-CB 4.17Å; W292-P306 HydrophobicContact CH2-CB 3.99Å; W292-P306 HydrophobicContact CH2-CG 4.22Å; W292-P306 HydrophobicContact CZ2-CB 4.2Å; W292-P306 HydrophobicContact CZ3-CB 3.98Å; W292-P306 HydrophobicContact CZ3-CG 4.08Å; P306-N308 PolarHBondContact O-N 3.45Å; P306-N308 VanDerWaalsContact O-N 3.11Å; P306-F309 HydrophobicContact CB-CD2 3.92Å; P306-F309 HydrophobicContact CB-CE2 4.42Å; P306-F309 HydrophobicContact CG-CB 4.21Å; P306-F309 HydrophobicContact CG-CD2 3.57Å; P306-F309 HydrophobicContact CG-CE2 4.1Å; P306-F309 HydrophobicContact CG-CG 3.93Å; P306-F309 WeakPolarHBondContact O-CB 3.33Å; P306-F309 PolarHBondContact O-N 3.23Å
307	M	86.6	Confident	73.8	Confident	89 Å²	89	76 Å²	76	44%	0.438	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-61.3	-27.6	-170.1	79.2	170.2	-145.9	0	0	113.7	G291 W293 V305 F309 L310	G291-M307 PolarHBondContact O-N 2.85Å; W293-M307 HydrophobicContact CD2-CB 3.73Å; W293-M307 HydrophobicContact CE3-CB 3.99Å; W293-M307 HydrophobicContact CG-CB 4.3Å; W293-M307 HydrophobicContact CH2-CB 4.01Å; W293-M307 HydrophobicContact CH2-SD 4.38Å; W293-M307 HydrophobicContact CZ2-CB 3.76Å; W293-M307 HydrophobicContact CZ2-CG 4.29Å; W293-M307 HydrophobicContact CZ2-SD 3.58Å; W293-M307 VanDerWaalsContact CZ2-SD 3.58Å; W293-M307 HydrophobicContact CZ3-CB 4.12Å; V305-M307 PolarHBondContact O-N 2.92Å; M307-F309 PolarHBondContact O-N 2.81Å; M307-L310 WeakPolarHBondContact O-CB 3.41Å; M307-L310 PolarHBondContact O-N 3Å
308	N	86.1	Confident	71.1	Confident	99 Å²	99	80.9 Å²	80.9	53%	0.529	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-75.2	-2.8	176.9	63.9	-37.8	0	0	0	113.6	P306	P306-N308 PolarHBondContact O-N 3.45Å; P306-N308 VanDerWaalsContact O-N 3.11Å
309	F	85.7	Confident	68.7	Low	36 Å²	36	79 Å²	79	16%	0.158	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-98.2	2.6	166.7	-71.6	-119.8	0	0	0	111.6	T262 I263 R264 Q265 W266 F276 P306 M307	T262-F309 CarbonylContact C-O 3.5Å; T262-F309 VanDerWaalsContact CA-O 3.29Å; T262-F309 WeakPolarHBondContact CA-O 3.23Å; I263-F309 WeakPolarHBondContact CG1-O 3.45Å; I263-F309 PolarHBondContact N-O 3.15Å; R264-F309 HydrophobicContact CB-CD1 3.5Å; R264-F309 VanDerWaalsContact CB-CD1 3.5Å; R264-F309 HydrophobicContact CB-CE1 3.89Å; R264-F309 HydrophobicContact CB-CG 4.3Å; Q265-F309 WeakPolarHBondContact O-CE1 3.31Å; W266-F309 HydrophobicContact CB-CD1 4.19Å; W266-F309 HydrophobicContact CE3-CD1 4.42Å; W266-F309 AromaticContact CE3-CE1 3.89Å; W266-F309 HydrophobicContact CE3-CE1 3.89Å; W266-F309 HydrophobicContact CE3-CE2 4.3Å; W266-F309 AromaticContact CE3-CZ 3.83Å; W266-F309 HydrophobicContact CE3-CZ 3.83Å; W266-F309 HydrophobicContact CZ3-CZ 4.21Å; F276-F309 HydrophobicContact CE2-CB 3.88Å; F276-F309 HydrophobicContact CE2-CD1 4.37Å; F276-F309 HydrophobicContact CZ-CB 3.69Å; F276-F309 HydrophobicContact CZ-CG 4.39Å; P306-F309 HydrophobicContact CB-CD2 3.92Å; P306-F309 HydrophobicContact CB-CE2 4.42Å; P306-F309 HydrophobicContact CG-CB 4.21Å; P306-F309 HydrophobicContact CG-CD2 3.57Å; P306-F309 HydrophobicContact CG-CE2 4.1Å; P306-F309 HydrophobicContact CG-CG 3.93Å; P306-F309 WeakPolarHBondContact O-CB 3.33Å; P306-F309 PolarHBondContact O-N 3.23Å; M307-F309 PolarHBondContact O-N 2.81Å
310	L	83.8	Confident	66.3	Low	15 Å²	15	77.9 Å²	77.9	8%	0.079	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	158.1	-177.1	-52.2	-178.9	0	0	0	112.7	Y260 Q261 T262 F276 L282 I284 W293 V305 M307	Y260-L310 HydrophobicContact CD1-CB 3.87Å; Y260-L310 HydrophobicContact CD1-CD1 4.48Å; Y260-L310 HydrophobicContact CG-CB 4.35Å; Y260-L310 HydrophobicContact CG-CD1 4.33Å; Q261-L310 CarbonylContact O-C 3.5Å; Q261-L310 WeakPolarHBondContact O-CA 3.36Å; T262-L310 HydrophobicContact CG2-CD2 3.89Å; F276-L310 HydrophobicContact CZ-CD2 4.35Å; L282-L310 HydrophobicContact CD1-CD2 3.93Å; I284-L310 HydrophobicContact CD1-CD1 3.83Å; I284-L310 HydrophobicContact CG1-CD1 4.29Å; W293-L310 HydrophobicContact CE3-CD1 3.83Å; W293-L310 HydrophobicContact CZ3-CD1 4.29Å; V305-L310 HydrophobicContact CG2-CD1 3.88Å; M307-L310 WeakPolarHBondContact O-CB 3.41Å; M307-L310 PolarHBondContact O-N 3Å
311	K	83.6	Confident	63.7	Low	119 Å²	119	83.2 Å²	83.2	52%	0.517	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	143.1	170.5	-179.3	177.7	179.4	-179.9	0	109.1	Y260 Q261 I263 Y313	Y260-K311 CarbonylContact C-O 3.54Å; Y260-K311 WeakPolarHBondContact CA-O 3.44Å; Y260-K311 VanDerWaalsContact CD1-O 3.29Å; Y260-K311 WeakPolarHBondContact CD1-O 3.44Å; Q261-K311 PolarHBondContact N-O 2.87Å; Q261-K311 PolarHBondContact O-N 3.41Å; I263-K311 HydrophobicContact CG2-CB 3.65Å; I263-K311 HydrophobicContact CG2-CD 4.29Å; K311-Y313 PolarHBondContact O-N 3.06Å
312	D	78.6	Confident	61	Low	49 Å²	49	87.7 Å²	87.7	26%	0.262	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	132	179.5	-49.4	-75.1	0	0	0	110.5	Y260 F474	Y260-D312 HydrophobicContact CE1-CB 4.15Å; Y260-D312 WeakPolarHBondContact CE1-OD1 3.5Å; Y260-D312 PolarHBondContact OH-OD1 2.75Å; D312-F474 HydrophobicContact CB-CD1 3.64Å; D312-F474 HydrophobicContact CB-CE1 3.51Å; D312-F474 HydrophobicContact CB-CZ 4.44Å
313	Y	56.1	Low	57.8	Low	48 Å²	48	86.6 Å²	86.6	19%	0.188	44%	0.438	C	S	.	.			trans	-136.1	130.3	-175.3	-178.3	-97.4	0	0	0	112.1	F259 Y260 Q261 T281 K311 K315	F259-Y313 CarbonylContact C-O 3.58Å; F259-Y313 VanDerWaalsContact CB-O 3.32Å; F259-Y313 WeakPolarHBondContact CB-O 3.37Å; F259-Y313 PolarHBondContact O-N 2.81Å; Y260-Y313 VanDerWaalsContact C-CB 3.44Å; Q261-Y313 HydrophobicContact CB-CD2 3.51Å; Q261-Y313 HydrophobicContact CB-CE2 4.31Å; Q261-Y313 HydrophobicContact CB-CG 3.71Å; Q261-Y313 HydrophobicContact CG-CD2 4.25Å; Q261-Y313 VanDerWaalsContact N-CB 3.26Å; T281-Y313 HydrophobicContact CG2-CD1 3.55Å; T281-Y313 HydrophobicContact CG2-CE1 3.74Å; T281-Y313 VanDerWaalsContact OG1-CE1 3.27Å; T281-Y313 WeakPolarHBondContact OG1-CE1 3.42Å; K311-Y313 PolarHBondContact O-N 3.06Å; Y313-K315 HydrophobicContact CE1-CD 4.23Å; Y313-K315 HydrophobicContact CE1-CG 3.84Å; Y313-K315 VanDerWaalsContact OH-CE 3.22Å; Y313-K315 WeakPolarHBondContact OH-CE 3.43Å; Y313-K315 PolarHBondContact OH-NZ 3.33Å
314	I	39.2	Very low	54.8	Low	70 Å²	70	93 Å²	93	36%	0.359	47%	0.47	S	S	.	.			trans	-131	123.6	178.7	-70.7	176	0	0	0	110.1	Q316 F474 Q478	I314-Q316 HydrophobicContact CG2-CG 4.33Å; I314-F474 HydrophobicContact CB-CE1 4.23Å; I314-F474 HydrophobicContact CB-CE2 4.44Å; I314-F474 HydrophobicContact CB-CZ 3.65Å; I314-F474 HydrophobicContact CD1-CD1 4.07Å; I314-F474 HydrophobicContact CD1-CE1 3.38Å; I314-F474 HydrophobicContact CD1-CE2 4.42Å; I314-F474 HydrophobicContact CD1-CZ 3.62Å; I314-F474 HydrophobicContact CG1-CE1 3.56Å; I314-F474 HydrophobicContact CG1-CZ 3.53Å; I314-Q478 HydrophobicContact CD1-CG 3.39Å
315	K	35.5	Very low	51.8	Low	150 Å²	150	100 Å²	100	65%	0.652	51%	0.506	S	S	*	.			trans	-99.8	132.4	147	-74	177.5	171.1	107.7	0	106.8	Y313 K317	Y313-K315 HydrophobicContact CE1-CD 4.23Å; Y313-K315 HydrophobicContact CE1-CG 3.84Å; Y313-K315 VanDerWaalsContact OH-CE 3.22Å; Y313-K315 WeakPolarHBondContact OH-CE 3.43Å; Y313-K315 PolarHBondContact OH-NZ 3.33Å; K315-K317 PolarHBondContact O-N 2.99Å
316	Q	30.2	Very low	48.7	Very low	110 Å²	110	109.5 Å²	109.5	51%	0.514	55%	0.55	S	S	.	*			trans	-78	112.7	170.2	-70.6	172.1	-71.8	0	0	109.4	I314 N482	I314-Q316 HydrophobicContact CG2-CG 4.33Å; Q316-N482 PolarHBondContact NE2-OD1 3.14Å
317	K	27.4	Very low	45.8	Very low	183 Å²	183	112.9 Å²	112.9	80%	0.796	58%	0.579	S	S	*	*			trans	-179.7	154.1	153.9	-105.2	177.9	172.4	-159.5	0	108.2	K315	K315-K317 PolarHBondContact O-N 2.99Å
318	D	29.8	Very low	43	Very low	124 Å²	124	118 Å²	118	66%	0.663	60%	0.602	S	S	*	*			cis	-127.7	148.4	19.8	-94.1	-56.8	0	0	0	115.9
319	V	27.6	Very low	40.2	Very low	115 Å²	115	120.9 Å²	120.9	70%	0.697	62%	0.617	S	S	*	*			trans	-74	138.3	145.3	171.9	0	0	0	0	106.4
320	L	27	Very low	37.5	Very low	145 Å²	145	124.4 Å²	124.4	76%	0.759	65%	0.646	S	S	*	*			trans	98.3	82.5	-168.3	-57.8	162	0	0	0	114
321	N	27.4	Very low	35	Very low	156 Å²	156	129.5 Å²	129.5	83%	0.834	68%	0.68	S	S	*	*			trans	177.8	59.4	132.8	-89.6	-16.2	0	0	0	113.3
322	K	26.5	Very low	32.3	Very low	192 Å²	192	133.1 Å²	133.1	84%	0.835	70%	0.699	S	S	*	*	S	Bend	trans	-134.6	56.1	148.4	-83.1	-166.3	176.4	173.1	0	109.4	E254	E254-K322 IonicContact OE1-NZ 3.57Å; E254-K322 PolarHBondContact OE1-NZ 3.45Å
323	A	25.4	Very low	30	Very low	82 Å²	82	137 Å²	137	68%	0.678	73%	0.725	S	S	*	*	S	Bend	trans	-130.1	151.8	161	0	0	0	0	0	107.4
324	N	26.3	Very low	28.5	Very low	141 Å²	141	145.4 Å²	145.4	75%	0.754	76%	0.757	S	S	*	*			trans	53.5	78.5	-174.9	-75.8	18.5	0	0	0	117
325	I	27.9	Very low	28.1	Very low	174 Å²	174	147 Å²	147	89%	0.892	78%	0.775	S	S	*	*	S	Bend		-138.5	67.5	121.2	-48.8	-177.7	0	0	0	108.9
326	Q	25.6	Very low	27.7	Very low	198 Å²	198	146.6 Å²	146.6	93%	0.925	78%	0.78	S	S	*	*	S	Bend	trans	-157.4	61.6	159.4	-83.5	-151.8	-13.6	0	0	109.9
327	A	25.1	Very low	28	Very low	75 Å²	75	148.6 Å²	148.6	62%	0.62	79%	0.794	S	S	*	*			trans	-157.1	152.7	165.2	0	0	0	0	0	109.2
328	E	27.4	Very low	28.3	Very low	197 Å²	197	147.5 Å²	147.5	92%	0.921	80%	0.797	S	S	*	*			trans	70.3	83.4	175	-62.3	-177.2	-151.2	0	0	117.4
329	D	28	Very low	28.5	Very low	159 Å²	159	149.1 Å²	149.1	85%	0.85	81%	0.806	S	S	*	*			trans	-131.9	93.5	141.5	-166.3	3.6	0	0	0	107.2
330	S	29.7	Very low	28.7	Very low	110 Å²	110	147.4 Å²	147.4	77%	0.769	80%	0.804	S	S	*	*			trans	-165.1	109.1	179.7	-78.2	0	0	0	0	110
331	P	31.4	Very low	29.1	Very low	123 Å²	123	147.9 Å²	147.9	80%	0.799	81%	0.807	S	S	*	*			trans	-76.9	149.7	-174.8	-16.2	31	0	0	0	114.1
332	Q	25.7	Very low	29.2	Very low	195 Å²	195	148.9 Å²	148.9	91%	0.911	81%	0.807	S	S	*	*			trans	-85.9	134.2	165.7	-71.7	-170.2	-43.5	0	0	112
333	T	30.3	Very low	29.5	Very low	131 Å²	131	146 Å²	146	80%	0.804	81%	0.805	S	S	*	*			trans	-142.6	138.9	158.6	49	0	0	0	0	111
334	Y	24.4	Very low	29.7	Very low	223 Å²	223	146.1 Å²	146.1	88%	0.875	81%	0.806	S	S	*	*			trans	-56.2	145.6	-174.1	-51.6	-98	0	0	0	117.2
335	S	30.5	Very low	30	Very low	105 Å²	105	147.7 Å²	147.7	73%	0.734	81%	0.809	S	S	*	*				175.9	110.6	117.4	60.2	0	0	0	0	114
336	D	29	Very low	30.1	Very low	141 Å²	141	148.1 Å²	148.1	75%	0.754	81%	0.807	S	S	*	*				46.6	164.5	123.9	-44	-30.1	0	0	0	124.5
337	D	34.8	Very low	30.4	Very low	152 Å²	152	148 Å²	148	81%	0.813	81%	0.806	S	S	*	*			trans	71.9	106.6	174.1	-49.9	-21.8	0	0	0	117.3
338	D	33.9	Very low	30.6	Very low	160 Å²	160	153.1 Å²	153.1	86%	0.856	82%	0.815	S	S	*	*				62.4	148.1	77.3	-76.9	-14.1	0	0	0	114.8
339	D	35.3	Very low	30.8	Very low	158 Å²	158	149.1 Å²	149.1	85%	0.845	80%	0.799	S	S	*	*			cis	-80.9	179	9.2	-72	-58	0	0	0	117.2
340	A	30.3	Very low	30.9	Very low	79 Å²	79	150 Å²	150	65%	0.653	80%	0.799	S	S	*	*			cis	119	161.6	3	0	0	0	0	0	117.5
341	D	35	Very low	30.9	Very low	155 Å²	155	148.3 Å²	148.3	83%	0.829	79%	0.791	S	S	*	*			trans	59.8	133.9	-178.2	-60.9	-11.9	0	0	0	118.3
342	E	30.4	Very low	30.6	Very low	177 Å²	177	150.1 Å²	150.1	83%	0.827	79%	0.794	S	S	*	*			cis	75.3	136.2	37.6	-128.6	-178.6	-135	0	0	113.2
343	V	33.5	Very low	30.8	Very low	130 Å²	130	145.4 Å²	145.4	79%	0.788	79%	0.789	S	S	*	*			cis	-146.8	-171.1	29	-153.8	0	0	0	0	112.7
344	A	29.9	Very low	30.8	Very low	85 Å²	85	145.3 Å²	145.3	70%	0.702	79%	0.788	S	S	*	*			trans	-67.5	-176.9	-176.2	0	0	0	0	0	115.3
345	E	32.2	Very low	31	Very low	175 Å²	175	139.2 Å²	139.2	82%	0.818	78%	0.778	S	S	*	*			cis	-141.8	148.2	44.5	-69.5	177.4	147.5	0	0	112.1
346	E	29.1	Very low	31.2	Very low	183 Å²	183	143 Å²	143	86%	0.855	78%	0.781	S	S	*	*				54.7	143.3	102	-47.4	-147.1	134.5	0	0	115.9
347	E	32	Very low	31.2	Very low	195 Å²	195	143.8 Å²	143.8	91%	0.911	78%	0.78	S	S	*	*			cis	-122.8	-176.1	30.9	-61.4	-175	110.9	0	0	115.8
348	K	29.5	Very low	31	Very low	183 Å²	183	146.6 Å²	146.6	80%	0.796	79%	0.785	S	S	*	*			trans	-150.1	162.6	-169.5	-155.2	-179.3	-174.2	170.6	0	111.8
349	N	31.4	Very low	30.8	Very low	112 Å²	112	143.2 Å²	143.2	60%	0.599	77%	0.77	S	S	*	*			trans	80.7	117.1	166.6	-55.5	-38.3	0	0	0	115.8
350	Q	29.9	Very low	30.5	Very low	178 Å²	178	143.5 Å²	143.5	83%	0.832	77%	0.771	S	S	*	*				76.1	141.1	80.7	-70.1	172.1	27.8	0	0	114.5
351	A	29	Very low	30.6	Very low	75 Å²	75	148.1 Å²	148.1	62%	0.62	78%	0.777	S	S	*	*			cis	-169.5	170.9	-12.9	0	0	0	0	0	111.8
352	N	27.1	Very low	30.5	Very low	160 Å²	160	148.4 Å²	148.4	86%	0.856	77%	0.773	S	S	*	*			trans	80.2	144	153.3	-64.9	-29.7	0	0	0	122.7
353	A	29.6	Very low	30.5	Very low	97 Å²	97	146.2 Å²	146.2	80%	0.802	77%	0.767	S	S	*	*			trans	77.4	144.5	148.9	0	0	0	0	0	121.6
354	V	29.5	Very low	30.5	Very low	129 Å²	129	147.2 Å²	147.2	78%	0.782	77%	0.766	S	S	*	*			cis	-166.2	148.7	-30.8	92.3	0	0	0	0	112
355	S	29.5	Very low	30.4	Very low	95 Å²	95	150.5 Å²	150.5	66%	0.664	77%	0.767	S	S	*	*			trans	63.2	150.2	163.5	-63.1	0	0	0	0	118.6
356	K	33.1	Very low	30.3	Very low	185 Å²	185	147 Å²	147	80%	0.804	76%	0.757	S	S	*	*			cis	-145.9	127	41.3	-77.3	172.4	-178	171.6	0	111.4
357	Q	30	Very low	30.3	Very low	156 Å²	156	146.3 Å²	146.3	73%	0.729	75%	0.752	S	S	*	*				66.5	120	89.4	-71.8	-175.1	-38.3	0	0	117.3	V359	Q357-V359 HydrophobicContact CG-CG2 4.42Å
358	K	30.8	Very low	30	Very low	211 Å²	211	142.9 Å²	142.9	92%	0.917	75%	0.749	S	S	*	*				-134.8	157.1	120.2	-152.2	171	-174.9	-180	0	108.9
359	V	28.2	Very low	30.1	Very low	89 Å²	89	139 Å²	139	54%	0.539	75%	0.745	S	S	.	*			trans	-137.6	144.4	-158.7	168.3	0	0	0	0	110.4	Q357	Q357-V359 HydrophobicContact CG-CG2 4.42Å
360	N	29.1	Very low	30	Very low	164 Å²	164	141.5 Å²	141.5	88%	0.877	75%	0.753	S	S	*	*			trans	-155.1	152	130.7	-103.5	-3.1	0	0	0	111.5
361	K	33.3	Very low	30	Very low	177 Å²	177	139 Å²	139	77%	0.77	74%	0.744	S	S	*	*			trans	-93	174.2	177	-68.8	-173.5	171.3	-173.8	0	108.8
362	E	32.2	Very low	29.7	Very low	161 Å²	161	140.7 Å²	140.7	75%	0.752	75%	0.747	S	S	*	*				-163.3	145.5	51.8	-84	-166.2	144.4	0	0	115.1
363	N	30.9	Very low	29.9	Very low	130 Å²	130	142.4 Å²	142.4	70%	0.695	75%	0.747	S	S	*	*			trans	62.1	142.7	138.8	-54.1	-13.6	0	0	0	118.5
364	I	33.9	Very low	29.5	Very low	151 Å²	151	143.9 Å²	143.9	77%	0.774	75%	0.746	S	S	*	*			cis	-139	131.7	6.4	-54.8	172	0	0	0	105.6
365	E	27.6	Very low	29.3	Very low	155 Å²	155	142.4 Å²	142.4	72%	0.724	74%	0.742	S	S	*	*				51.9	142.4	86.5	-111.6	-159.6	143.2	0	0	114.8
366	V	30	Very low	29	Very low	100 Å²	100	144.1 Å²	144.1	61%	0.606	75%	0.748	S	S	*	*			cis	-143.4	132.3	18.3	164.8	0	0	0	0	112.6
367	K	29.5	Very low	28.7	Very low	170 Å²	170	140.8 Å²	140.8	74%	0.739	75%	0.748	S	S	*	*			trans	37.3	138.1	145.7	-55.4	163.4	-162.3	153.5	0	123.2
368	S	26.6	Very low	28.4	Very low	122 Å²	122	139.1 Å²	139.1	85%	0.853	75%	0.748	S	S	*	*			trans	-119.7	142.9	151.5	-43.4	0	0	0	0	109.7
369	S	30.4	Very low	28.2	Very low	102 Å²	102	137.1 Å²	137.1	71%	0.713	75%	0.748	S	S	*	*			trans	170.7	152.8	160.6	25.8	0	0	0	0	111.6
370	E	29.4	Very low	28.1	Very low	165 Å²	165	140 Å²	140	77%	0.771	76%	0.755	S	S	*	*			cis	-167.4	161.6	-21.3	-117.4	-176.5	145.4	0	0	111.8
371	I	29.7	Very low	27.9	Very low	125 Å²	125	138.7 Å²	138.7	64%	0.641	75%	0.747	S	S	*	*			trans	67.4	99.9	143	-67.5	168.5	0	0	0	121.7
372	T	23.1	Very low	27.8	Very low	110 Å²	110	135.3 Å²	135.3	68%	0.675	74%	0.743	S	S	*	*			trans	46.4	135.8	132.3	75.5	0	0	0	0	123.7
373	K	30.4	Very low	27.3	Very low	197 Å²	197	134.1 Å²	134.1	86%	0.857	74%	0.742	S	S	*	*				-170.9	169.2	97.9	-102.7	165.5	-172.5	174.7	0	114.6
374	T	23.3	Very low	27.1	Very low	128 Å²	128	138.6 Å²	138.6	79%	0.785	75%	0.75	S	S	*	*			trans	-75.9	174	-178.4	58.4	0	0	0	0	112.2
375	S	25.3	Very low	26.8	Very low	98 Å²	98	137.4 Å²	137.4	69%	0.685	75%	0.75	S	S	*	*			cis	-164.5	154.8	17.1	-3.2	0	0	0	0	112.5
376	T	23	Very low	26.7	Very low	130 Å²	130	138.7 Å²	138.7	80%	0.798	76%	0.756	S	S	*	*			trans	44.6	112.5	143	-45.2	0	0	0	0	121
377	S	26.1	Very low	26.6	Very low	116 Å²	116	142 Å²	142	81%	0.811	77%	0.771	S	S	*	*				-172.2	154.6	119.7	-84.7	0	0	0	0	115
378	V	22.6	Very low	26.7	Very low	121 Å²	121	138.9 Å²	138.9	73%	0.733	77%	0.77	S	S	*	*			trans	-31.3	141.6	170.4	-178.4	0	0	0	0	116.3
379	N	28.2	Very low	26.9	Very low	168 Å²	168	140.4 Å²	140.4	90%	0.898	77%	0.774	S	S	*	*			trans	-148.1	156.9	138.5	-117.4	-17.6	0	0	0	111.2
380	Q	26.4	Very low	26.7	Very low	150 Å²	150	144 Å²	144	70%	0.701	78%	0.78	S	S	*	*			trans	-151.3	157.2	-164.8	-152.1	-178.3	8.4	0	0	108.7
381	I	24.8	Very low	26.5	Very low	137 Å²	137	145.7 Å²	145.7	70%	0.703	78%	0.78	S	S	*	*			trans	70.2	156	160.7	-78.6	155.7	0	0	0	114.2
382	P	29.7	Very low	26.4	Very low	105 Å²	105	143.6 Å²	143.6	68%	0.682	79%	0.79	S	S	*	*			cis	-121.7	169.3	13.4	32.6	-13.6	0	0	0	117.8
383	D	22.8	Very low	26.5	Very low	136 Å²	136	146.3 Å²	146.3	73%	0.727	80%	0.795	S	S	*	*			trans	-56.4	162.7	157.6	-55.6	-81.6	0	0	0	113.3
384	Y	27	Very low	26.5	Very low	225 Å²	225	146.1 Å²	146.1	88%	0.882	80%	0.797	S	S	*	*			trans	-139.6	150	136.5	-100	-78.4	0	0	0	109.8
385	T	28	Very low	26.5	Very low	125 Å²	125	145.1 Å²	145.1	77%	0.767	79%	0.791	S	S	*	*			trans	-94.5	177.6	-164.7	50.1	0	0	0	0	113.9
386	E	23.8	Very low	26.6	Very low	182 Å²	182	151 Å²	151	85%	0.85	80%	0.798	S	S	*	*			trans	-50.1	150.5	166.8	-59.2	163	124.6	0	0	112.5
387	D	29.6	Very low	26.9	Very low	170 Å²	170	152.4 Å²	152.4	91%	0.909	80%	0.796	S	S	*	*			trans	-141.7	144.3	154.5	-139.9	-19	0	0	0	108.8
388	S	29.5	Very low	27	Very low	105 Å²	105	152.9 Å²	152.9	73%	0.734	79%	0.789	S	S	*	*			trans	-98.8	149.6	-161.3	-59.7	0	0	0	0	114.1
389	V	30.9	Very low	27.4	Very low	154 Å²	154	155.1 Å²	155.1	93%	0.933	80%	0.797	S	S	*	*			trans	-132.4	142.6	150.7	-173.5	0	0	0	0	108.4
390	E	27.8	Very low	27.4	Very low	178 Å²	178	154.5 Å²	154.5	83%	0.832	79%	0.789	S	S	*	*			trans	-106.3	179.3	-154.5	-157.6	171.9	163.2	0	0	113.8
391	Y	24.5	Very low	27.7	Very low	199 Å²	199	156.5 Å²	156.5	78%	0.78	80%	0.795	S	S	*	*			trans	-49.3	153.7	-175.6	-82	-107.4	0	0	0	116.9	E393	Y391-E393 HydrophobicContact CD1-CG 4.22Å
392	G	28	Very low	27.7	Very low	82 Å²	82	159.4 Å²	159.4	85%	0.845	81%	0.806	S	S	*	*			trans	-149.2	82.5	157.5	0	0	0	0	0	109.9
393	E	25.5	Very low	27.8	Very low	166 Å²	166	157.5 Å²	157.5	78%	0.776	81%	0.806	S	S	*	*			trans	-79	139.7	164.7	-67.5	-177.3	148.3	0	0	109.4	Y391	Y391-E393 HydrophobicContact CD1-CG 4.22Å
394	E	29	Very low	28	Very low	194 Å²	194	160.8 Å²	160.8	91%	0.907	82%	0.816	S	S	*	*			trans	-154.8	145.7	141.9	-120.7	166.8	-149.1	0	0	109.4
395	T	24.4	Very low	28.2	Very low	107 Å²	107	153.6 Å²	153.6	66%	0.656	81%	0.811	S	S	*	*			trans	-146.9	162.2	-174.8	42.2	0	0	0	0	110
396	W	26.3	Very low	28.1	Very low	220 Å²	220	155 Å²	155	83%	0.833	81%	0.813	S	S	*	*			trans	70.1	153	-178.7	-37.6	94.6	0	0	0	112.8
397	E	30	Very low	28.4	Very low	161 Å²	161	153.8 Å²	153.8	75%	0.752	81%	0.808	S	S	*	*			cis	-145.5	165.3	10.1	-154.2	158.8	-134.8	0	0	112.3
398	N	27.5	Very low	28.4	Very low	125 Å²	125	151.7 Å²	151.7	67%	0.668	80%	0.802	S	S	*	*			trans	-22.1	150.5	177.2	-46.9	-31.1	0	0	0	119.9
399	D	31.4	Very low	28.4	Very low	169 Å²	169	150.4 Å²	150.4	90%	0.904	79%	0.793	S	S	*	*				-151.2	150.5	111.4	-120.7	-23.6	0	0	0	112
400	E	27.9	Very low	28.4	Very low	155 Å²	155	150.9 Å²	150.9	72%	0.724	79%	0.785	S	S	*	*			trans	-104	149.5	-176.2	-54.7	171.3	146.5	0	0	111.7
401	K	32.6	Very low	28.5	Very low	192 Å²	192	147.7 Å²	147.7	84%	0.835	77%	0.773	S	S	*	*				174.1	169.2	118.7	-97.1	155.8	-172.6	155	0	117.8
402	E	26.3	Very low	28.8	Very low	197 Å²	197	148.4 Å²	148.4	92%	0.921	78%	0.781	S	S	*	*			trans	-101.8	175.6	-174	-53	164.7	127.4	0	0	112.6
403	G	31.1	Very low	28.9	Very low	66 Å²	66	149.7 Å²	149.7	68%	0.68	77%	0.768	S	S	*	*			trans	124	119.2	176.1	0	0	0	0	0	111
404	E	26.7	Very low	29.4	Very low	204 Å²	204	148.5 Å²	148.5	95%	0.953	77%	0.766	S	S	*	*			cis	70.7	136.2	47.8	-61.9	-162.5	149.7	0	0	115
405	G	30.4	Very low	29.5	Very low	74 Å²	74	146.8 Å²	146.8	76%	0.763	76%	0.758	S	S	*	*			trans	90.9	96.7	-173.7	0	0	0	0	0	112.7
406	D	27.6	Very low	29.9	Very low	154 Å²	154	150.1 Å²	150.1	82%	0.824	77%	0.766	S	S	*	*			cis	92.5	139.3	26.5	-145.2	9.4	0	0	0	115.5
407	E	29.1	Very low	30.2	Very low	158 Å²	158	147 Å²	147	74%	0.738	77%	0.765	S	S	*	*			trans	61.6	145.9	165.6	-71.1	-160.5	150.7	0	0	125.4
408	T	29.3	Very low	30.4	Very low	126 Å²	126	147.3 Å²	147.3	77%	0.773	77%	0.767	S	S	*	*			trans	70	149.1	154.3	58	0	0	0	0	121.7
409	S	29.6	Very low	30.7	Very low	78 Å²	78	150 Å²	150	55%	0.545	78%	0.775	S	S	.	*			cis	-167.7	166.2	-29.3	59.1	0	0	0	0	110
410	E	31.2	Very low	30.9	Very low	164 Å²	164	147.7 Å²	147.7	77%	0.766	77%	0.772	S	S	*	*			trans	61.8	168.6	152.6	-72.8	153.6	-104.3	0	0	118.9
411	N	29.2	Very low	31.1	Very low	111 Å²	111	149.2 Å²	149.2	59%	0.594	78%	0.779	S	S	*	*				-157.9	154.9	-52.6	-112.3	31.1	0	0	0	105.5	D413	N411-D413 PolarHBondContact ND2-OD2 2.96Å
412	F	32	Very low	31.2	Very low	214 Å²	214	148.2 Å²	148.2	94%	0.939	78%	0.783	S	S	*	*			trans	-170.1	98.3	138.2	-107.9	-64.9	0	0	0	110.7
413	D	30.9	Very low	31.5	Very low	108 Å²	108	147.5 Å²	147.5	58%	0.578	78%	0.78	S	S	*	*			trans	-66.9	-172.7	174.9	-51.6	-89.1	0	0	0	114.2	N411	N411-D413 PolarHBondContact ND2-OD2 2.96Å
414	I	34	Very low	31.7	Very low	142 Å²	142	151 Å²	151	73%	0.728	78%	0.783	S	S	*	*			trans	76.2	142.9	148.3	-77.9	161.5	0	0	0	116.2
415	E	32.1	Very low	32	Very low	158 Å²	158	146.6 Å²	146.6	74%	0.738	77%	0.766	S	S	*	*			cis	-159.5	-177.9	-11.6	-106.5	159.8	-171.1	0	0	105
416	E	32.7	Very low	31.9	Very low	177 Å²	177	150 Å²	150	83%	0.827	77%	0.767	S	S	*	*			cis	-165	160.1	7.9	-116.5	174	157.9	0	0	103.4
417	D	32.1	Very low	32	Very low	153 Å²	153	148.7 Å²	148.7	82%	0.818	76%	0.764	S	S	*	*			cis	-167	-159	-28.6	-164.8	-2.4	0	0	0	107.3
418	E	35.5	Very low	31.8	Very low	169 Å²	169	149.8 Å²	149.8	79%	0.79	77%	0.769	S	S	*	*			trans	89.6	104.1	161.8	-71.6	-176	-166.1	0	0	122
419	E	32.8	Very low	31.8	Very low	181 Å²	181	152.4 Å²	152.4	85%	0.846	77%	0.773	S	S	*	*				43.2	130.7	128	-55.2	-172.5	174.3	0	0	120.9
420	S	35.7	Very low	31.8	Very low	120 Å²	120	156.1 Å²	156.1	84%	0.839	79%	0.787	S	S	*	*				-174.7	173.5	62.2	33	0	0	0	0	113.8
421	E	31.7	Very low	31.7	Very low	187 Å²	187	155.4 Å²	155.4	87%	0.874	79%	0.788	S	S	*	*			trans	-70.4	151.3	-170.6	-55	165.7	150.7	0	0	115.7
422	D	36.2	Very low	31.6	Very low	171 Å²	171	155.6 Å²	155.6	91%	0.914	79%	0.793	S	S	*	*				-165.8	143.6	127.3	-112.9	-24.3	0	0	0	110.9
423	E	32.6	Very low	31.4	Very low	183 Å²	183	154.1 Å²	154.1	86%	0.855	79%	0.789	S	S	*	*			trans	-88.4	147	-176.2	-56.1	-179.2	124.9	0	0	112.2
424	D	33.9	Very low	31.1	Very low	138 Å²	138	155.9 Å²	155.9	74%	0.738	80%	0.797	S	S	*	*				-176.5	143.6	107	-131.1	-13.6	0	0	0	117.2
425	N	34.1	Very low	30.8	Very low	113 Å²	113	155.8 Å²	155.8	60%	0.604	80%	0.796	S	S	*	*			trans	59.6	91.9	149.5	-79	-56.3	0	0	0	124.5
426	N	28.6	Very low	30.4	Very low	144 Å²	144	157 Å²	157	77%	0.77	80%	0.802	S	S	*	*				56.7	106	113.3	-73.1	-61.2	0	0	0	122.4
427	V	27.8	Very low	30	Very low	127 Å²	127	156 Å²	156	77%	0.77	80%	0.798	S	S	*	*			trans	-148.7	133.8	139.9	179.1	0	0	0	0	110.9
428	E	26.6	Very low	29.6	Very low	182 Å²	182	157.9 Å²	157.9	85%	0.85	80%	0.801	S	S	*	*			trans	55.6	127	160.6	-71.7	160.1	-156.4	0	0	122.4
429	E	29.4	Very low	29	Very low	181 Å²	181	157.9 Å²	157.9	85%	0.846	80%	0.799	S	S	*	*			trans	-126	123.8	142.4	-81.7	-167.1	159.6	0	0	108.7
430	D	28.5	Very low	28.7	Very low	156 Å²	156	156.2 Å²	156.2	83%	0.834	80%	0.8	S	S	*	*			trans	-115.6	123.3	169.3	-136.2	-3.3	0	0	0	107
431	N	28.5	Very low	28.1	Very low	148 Å²	148	153.5 Å²	153.5	79%	0.791	79%	0.791	S	S	*	*			trans	-93	107.4	-177	-91.3	-89.1	0	0	0	110.8
432	V	27.6	Very low	27.6	Very low	116 Å²	116	152.5 Å²	152.5	70%	0.703	79%	0.79	S	S	*	*			trans	-129.2	110.7	172.2	180	0	0	0	0	109.4	I434	V432-I434 HydrophobicContact CG1-CG1 4.32Å
433	E	27.7	Very low	27.1	Very low	182 Å²	182	151.1 Å²	151.1	85%	0.85	79%	0.788	S	S	*	*			trans	-90.8	134.7	175.1	-166.9	170.4	-143.6	0	0	109.7
434	I	24.1	Very low	26.6	Very low	146 Å²	146	151.1 Å²	151.1	75%	0.749	79%	0.788	S	S	*	*			trans	-123.6	123.8	-176.9	-59.7	175.3	0	0	0	108.7	V432	V432-I434 HydrophobicContact CG1-CG1 4.32Å
435	I	28.6	Very low	26.1	Very low	140 Å²	140	150.3 Å²	150.3	72%	0.718	79%	0.793	S	S	*	*			trans	-133.6	98.5	168.1	-58.4	-177.3	0	0	0	110.1
436	E	24.7	Very low	25.5	Very low	182 Å²	182	148.9 Å²	148.9	85%	0.85	79%	0.792	S	S	*	*			trans	55.4	152.4	137.7	-53.4	-167.7	138.2	0	0	123
437	E	22.6	Very low	25.2	Very low	158 Å²	158	150.7 Å²	150.7	74%	0.738	79%	0.793	S	S	*	*			trans	-92.8	156	178.4	-54.1	-172.4	148.3	0	0	112.1	K439	E437-K439 IonicContact OE2-NZ 2.65Å; E437-K439 PolarHBondContact OE2-NZ 2.89Å
438	E	25.2	Very low	24.9	Very low	191 Å²	191	151.2 Å²	151.2	89%	0.893	79%	0.791	S	S	*	*			trans	-136.9	144.7	155	-153.4	178.2	-147.4	0	0	111.8
439	K	23.1	Very low	24.7	Very low	170 Å²	170	147.8 Å²	147.8	74%	0.739	78%	0.777	S	S	*	*			trans	-121.1	104.3	-172.1	-73.3	-176.7	177.7	89.2	0	112.6	E437	E437-K439 IonicContact OE2-NZ 2.65Å; E437-K439 PolarHBondContact OE2-NZ 2.89Å
440	V	24.8	Very low	24.5	Very low	145 Å²	145	145.4 Å²	145.4	88%	0.879	77%	0.765	S	S	*	*			trans	-146.1	142.1	164.3	-170.7	0	0	0	0	107.9
441	G	24.7	Very low	24.1	Very low	63 Å²	63	143.4 Å²	143.4	65%	0.649	76%	0.763	S	S	*	*			cis	-179	156	-5.8	0	0	0	0	0	109.1
442	I	21.3	Very low	24	Very low	166 Å²	166	140.4 Å²	140.4	85%	0.851	77%	0.768	S	S	*	*			trans	-88.6	136.5	-173.4	-60.5	172.3	0	0	0	111
443	T	25.3	Very low	23.8	Very low	142 Å²	142	143.1 Å²	143.1	87%	0.871	77%	0.77	S	S	*	*			trans	-154.7	154.1	157.7	-1.2	0	0	0	0	112
444	Q	21.6	Very low	23.7	Very low	183 Å²	183	138.6 Å²	138.6	86%	0.855	76%	0.759	S	S	*	*			trans	-102.5	150.4	-175.7	-57.7	167.9	-7.7	0	0	110.5
445	S	22.6	Very low	23.6	Very low	121 Å²	121	140.7 Å²	140.7	85%	0.846	76%	0.763	S	S	*	*				177.9	149.7	110.5	-163.4	0	0	0	0	113.8
446	S	22.7	Very low	23.5	Very low	84 Å²	84	138.7 Å²	138.7	59%	0.587	77%	0.767	S	S	*	*			trans	-82.3	157.2	-178.7	57.2	0	0	0	0	115.2
447	K	22.5	Very low	23.3	Very low	181 Å²	181	135.1 Å²	135.1	79%	0.787	76%	0.762	S	S	*	*				164.5	147.2	109.5	-98.4	165.8	-176.1	169.4	0	117.3
448	L	21.8	Very low	23.4	Very low	138 Å²	138	134.1 Å²	134.1	72%	0.723	77%	0.767	S	S	*	*			trans	63.6	153.2	156.6	-85.2	85.4	0	0	0	119.3
449	M	22.4	Very low	23.5	Very low	111 Å²	111	130.4 Å²	130.4	55%	0.547	76%	0.759	S	S	.	*			cis	-170.7	135.4	-32.1	-117.8	-175.5	-159.2	0	0	111.4	R106	R106-M449 PolarHBondContact NH1-SD 3.45Å
450	H	23.3	Very low	23.6	Very low	131 Å²	131	131 Å²	131	61%	0.606	76%	0.762	S	S	*	*			trans	67.4	157.6	144.5	-69.6	21.4	0	0	0	119.4	R106	R106-H450 WeakPolarHBondContact CD-NE2 3.35Å; R106-H450 PolarHBondContact NH1-NE2 3.28Å
451	S	21.8	Very low	23.7	Very low	113 Å²	113	129.2 Å²	129.2	79%	0.79	75%	0.751	S	S	*	*			cis	-172.1	152.2	-18.9	51.2	0	0	0	0	111.4
452	G	24.8	Very low	23.7	Very low	86 Å²	86	133.6 Å²	133.6	89%	0.887	76%	0.76	S	S	*	*			trans	178.9	115.6	166.5	0	0	0	0	0	117.9
453	K	24.6	Very low	24.1	Very low	172 Å²	172	131.2 Å²	131.2	75%	0.748	75%	0.753	S	S	*	*			trans	-105.8	157.1	168.7	-86.5	-172.2	176.4	-177.4	0	109.4	E52	E52-K453 IonicContact OE1-NZ 2.68Å; E52-K453 PolarHBondContact OE1-NZ 2.82Å
454	S	25	Very low	24.4	Very low	88 Å²	88	130.2 Å²	130.2	62%	0.615	74%	0.738	S	S	*	*			cis	-163.4	-126.1	-14.9	56.9	0	0	0	0	109.4
455	F	22.1	Very low	24.9	Very low	190 Å²	190	128.8 Å²	128.8	83%	0.833	73%	0.729	S	S	*	*			trans	60.7	147.4	176.4	-70.8	-85.3	0	0	0	118.4
456	A	25.7	Very low	25.6	Very low	97 Å²	97	134.5 Å²	134.5	80%	0.802	73%	0.732	S	S	*	*			cis	-135.1	169.5	2.6	0	0	0	0	0	112.5
457	S	22	Very low	26.5	Very low	108 Å²	108	135.7 Å²	135.7	76%	0.755	73%	0.725	S	S	*	*			trans	-128	141.2	-168.4	55.4	0	0	0	0	114.1
458	T	24.5	Very low	27.6	Very low	136 Å²	136	130 Å²	130	83%	0.834	71%	0.708	S	S	*	*			trans	-155.1	157.1	159	20.8	0	0	0	0	109.6
459	P	26.5	Very low	29.1	Very low	114 Å²	114	128.1 Å²	128.1	74%	0.74	70%	0.704	S	S	*	*				-85.5	147.8	-123	29.4	-37.5	0	0	0	116.1
460	F	25.9	Very low	30.5	Very low	182 Å²	182	131 Å²	131	80%	0.798	71%	0.709	S	S	*	*			trans	-103.2	161.6	141.9	-165.8	-103.2	0	0	0	107.4	D462	F460-D462 PolarHBondContact O-N 3.41Å
461	V	27.3	Very low	32.2	Very low	107 Å²	107	125.3 Å²	125.3	65%	0.648	68%	0.684	S	S	*	*			trans	-79	110.6	-177.8	175.6	0	0	0	0	109.9	T463	V461-T463 VanDerWaalsContact C-N 3.33Å; V461-T463 HydrophobicContact CG1-CG2 4.03Å; V461-T463 PolarHBondContact O-N 3.38Å
462	D	23.4	Very low	34.1	Very low	156 Å²	156	121.6 Å²	121.6	83%	0.834	66%	0.655	S	S	*	*			trans	-70.5	84	173.2	-80.4	-43.2	0	0	0	111.3	F460	F460-D462 PolarHBondContact O-N 3.41Å
463	T	29.9	Very low	36	Very low	115 Å²	115	117.6 Å²	117.6	71%	0.706	61%	0.613	S	S	*	*			trans	-103.9	-6.8	163.4	41.3	0	0	0	0	113.7	V461 K465	V461-T463 VanDerWaalsContact C-N 3.33Å; V461-T463 HydrophobicContact CG1-CG2 4.03Å; V461-T463 PolarHBondContact O-N 3.38Å; T463-K465 PolarHBondContact O-N 2.95Å
464	E	32.8	Very low	38.1	Very low	121 Å²	121	112 Å²	112	57%	0.565	59%	0.589	S	S	*	*			trans	-77.4	68	164.8	-68.7	-164.2	-179.5	0	0	110.5	R466	E464-R466 PolarHBondContact O-N 3.35Å
465	K	32.4	Very low	40	Very low	153 Å²	153	110.6 Å²	110.6	67%	0.665	58%	0.576	S	S	*	*			trans	-51.9	132.5	150.6	-77.4	-170.2	175.8	-173.2	0	106.9	T463 Y467	T463-K465 PolarHBondContact O-N 2.95Å; K465-Y467 VanDerWaalsContact C-N 3.28Å; K465-Y467 HydrophobicContact CB-CD2 4.31Å; K465-Y467 HydrophobicContact CB-CE2 3.74Å; K465-Y467 WeakPolarHBondContact O-CD2 3.48Å; K465-Y467 PolarHBondContact O-N 3.29Å
466	R	37.1	Very low	42.3	Very low	241 Å²	241	102 Å²	102	91%	0.909	54%	0.539	S	S	*	.			trans	-69.5	79.5	-169.2	-68	179.5	179.1	165.7	-3.6	112.5	E464	E464-R466 PolarHBondContact O-N 3.35Å
467	Y	40	Very low	44.4	Very low	109 Å²	109	98.7 Å²	98.7	43%	0.427	51%	0.507	S	S	.	.			trans	-82.7	134.4	170.2	-65	-63	0	0	0	109.9	K465 S471	K465-Y467 VanDerWaalsContact C-N 3.28Å; K465-Y467 HydrophobicContact CB-CD2 4.31Å; K465-Y467 HydrophobicContact CB-CE2 3.74Å; K465-Y467 WeakPolarHBondContact O-CD2 3.48Å; K465-Y467 PolarHBondContact O-N 3.29Å; Y467-S471 WeakPolarHBondContact CA-OG 3.2Å; Y467-S471 WeakPolarHBondContact CB-OG 3.31Å
468	S	47.6	Very low	46.7	Very low	62 Å²	62	94.4 Å²	94.4	43%	0.434	48%	0.475	S	S	.	.			trans	-59.3	151.7	162.3	73.6	0	0	0	0	109.2	W470 S471 M472	S468-W470 PolarHBondContact O-N 2.91Å; S468-W470 VanDerWaalsContact O-N 3.08Å; S468-S471 PolarHBondContact N-OG 2.65Å; S468-S471 PolarHBondContact O-N 3.06Å; S468-S471 PolarHBondContact O-OG 2.93Å; S468-S471 PolarHBondContact OG-N 2.97Å; S468-S471 VanDerWaalsContact OG-N 3.15Å; S468-S471 PolarHBondContact OG-OG 2.84Å; S468-S471 VanDerWaalsContact OG-OG 3.05Å; S468-M472 PolarHBondContact O-N 2.86Å
469	P	52.4	Low	48.9	Very low	99 Å²	99	91 Å²	91	64%	0.643	45%	0.451	S	S	*	.	H	α-helix	trans	-52.5	-36.1	179.5	-29	35.9	0	0	0	113.2	A473	P469-A473 VanDerWaalsContact O-CB 3.24Å; P469-A473 WeakPolarHBondContact O-CB 3.43Å; P469-A473 PolarHBondContact O-N 3.3Å
470	W	51	Low	50.8	Low	171 Å²	171	86 Å²	86	65%	0.648	42%	0.419	S	S	*	.	H	α-helix	trans	-64.9	-48.7	173.7	-80.3	85.2	0	0	0	113.2	S468 A473 F474 I581	S468-W470 PolarHBondContact O-N 2.91Å; S468-W470 VanDerWaalsContact O-N 3.08Å; W470-A473 PolarHBondContact O-N 2.72Å; W470-F474 WeakPolarHBondContact O-CB 3.5Å; W470-F474 PolarHBondContact O-N 2.93Å; W470-I581 HydrophobicContact CE3-CD1 4.47Å; W470-I581 HydrophobicContact CH2-CD1 3.45Å; W470-I581 VanDerWaalsContact CH2-CD1 3.45Å; W470-I581 HydrophobicContact CZ2-CD1 3.79Å; W470-I581 HydrophobicContact CZ3-CD1 3.82Å
471	S	59.7	Low	52.8	Low	12 Å²	12	80.2 Å²	80.2	8%	0.084	39%	0.391	C	S	.	.	H	α-helix	trans	-67.1	-35.8	178.3	62.9	0	0	0	0	112.3	Y467 S468 F474 T475	Y467-S471 WeakPolarHBondContact CA-OG 3.2Å; Y467-S471 WeakPolarHBondContact CB-OG 3.31Å; S468-S471 PolarHBondContact N-OG 2.65Å; S468-S471 PolarHBondContact O-N 3.06Å; S468-S471 PolarHBondContact O-OG 2.93Å; S468-S471 PolarHBondContact OG-N 2.97Å; S468-S471 VanDerWaalsContact OG-N 3.15Å; S468-S471 PolarHBondContact OG-OG 2.84Å; S468-S471 VanDerWaalsContact OG-OG 3.05Å; S471-F474 PolarHBondContact O-N 2.97Å; S471-T475 WeakPolarHBondContact O-CB 3.46Å; S471-T475 PolarHBondContact O-N 3.13Å; S471-T475 PolarHBondContact O-OG1 3.39Å
472	M	62.5	Low	54.4	Low	35 Å²	35	78.6 Å²	78.6	17%	0.172	38%	0.379	C	S	.	.	H	α-helix	trans	-62.7	-50.7	173	-177.7	-178.8	-70.4	0	0	110.9	S468 F474 T475 M476 M582	S468-M472 PolarHBondContact O-N 2.86Å; M472-F474 PolarHBondContact O-N 3.39Å; M472-T475 PolarHBondContact O-N 3.28Å; M472-M476 HydrophobicContact CG-CE 3.53Å; M472-M476 HydrophobicContact CG-SD 4.06Å; M472-M476 WeakPolarHBondContact O-CG 3.29Å; M472-M476 PolarHBondContact O-N 3.35Å; M472-M476 HydrophobicContact SD-CE 3.8Å; M472-M582 HydrophobicContact CG-CE 4.14Å; M472-M582 HydrophobicContact SD-CE 3.78Å
473	A	64.5	Low	56.4	Low	1 Å²	1	73.9 Å²	73.9	1%	0.008	35%	0.354	C	S	.	.	H	α-helix	trans	-57.8	-49.3	176.6	0	0	0	0	0	111.2	P469 W470 T475 M476 Q477 I581 M582	P469-A473 VanDerWaalsContact O-CB 3.24Å; P469-A473 WeakPolarHBondContact O-CB 3.43Å; P469-A473 PolarHBondContact O-N 3.3Å; W470-A473 PolarHBondContact O-N 2.72Å; A473-T475 VanDerWaalsContact C-N 3.34Å; A473-T475 PolarHBondContact O-N 3.01Å; A473-M476 CarbonylContact O-C 3.55Å; A473-M476 WeakPolarHBondContact O-CA 3.43Å; A473-M476 WeakPolarHBondContact O-CB 3.38Å; A473-M476 PolarHBondContact O-N 3.28Å; A473-Q477 VanDerWaalsContact O-CG 3.31Å; A473-Q477 WeakPolarHBondContact O-CG 3.45Å; A473-Q477 PolarHBondContact O-N 2.8Å; A473-I581 HydrophobicContact CB-CG2 3.36Å; A473-M582 HydrophobicContact CB-CG 3.5Å; A473-M582 HydrophobicContact CB-SD 3.71Å
474	F	68.8	Low	57.9	Low	54 Å²	54	75 Å²	75	24%	0.237	35%	0.351	C	S	.	.	H	α-helix	trans	-56.3	-47.7	178.3	-170.2	-123.5	0	0	0	111.3	D312 I314 W470 S471 M472 M476 Q477 Q478	D312-F474 HydrophobicContact CB-CD1 3.64Å; D312-F474 HydrophobicContact CB-CE1 3.51Å; D312-F474 HydrophobicContact CB-CZ 4.44Å; I314-F474 HydrophobicContact CB-CE1 4.23Å; I314-F474 HydrophobicContact CB-CE2 4.44Å; I314-F474 HydrophobicContact CB-CZ 3.65Å; I314-F474 HydrophobicContact CD1-CD1 4.07Å; I314-F474 HydrophobicContact CD1-CE1 3.38Å; I314-F474 HydrophobicContact CD1-CE2 4.42Å; I314-F474 HydrophobicContact CD1-CZ 3.62Å; I314-F474 HydrophobicContact CG1-CE1 3.56Å; I314-F474 HydrophobicContact CG1-CZ 3.53Å; W470-F474 WeakPolarHBondContact O-CB 3.5Å; W470-F474 PolarHBondContact O-N 2.93Å; S471-F474 PolarHBondContact O-N 2.97Å; M472-F474 PolarHBondContact O-N 3.39Å; F474-M476 PolarHBondContact O-N 3.24Å; F474-Q477 PolarHBondContact O-N 3.11Å; F474-Q478 VanDerWaalsContact O-CG 3.27Å; F474-Q478 WeakPolarHBondContact O-CG 3.35Å; F474-Q478 PolarHBondContact O-N 2.88Å
475	T	64.9	Low	59.6	Low	59 Å²	59	77.3 Å²	77.3	36%	0.362	36%	0.359	S	S	.	.	H	α-helix	trans	-57.7	-44.7	172.6	-63.9	0	0	0	0	112.3	S471 M472 A473 Q478 I479	S471-T475 WeakPolarHBondContact O-CB 3.46Å; S471-T475 PolarHBondContact O-N 3.13Å; S471-T475 PolarHBondContact O-OG1 3.39Å; M472-T475 PolarHBondContact O-N 3.28Å; A473-T475 VanDerWaalsContact C-N 3.34Å; A473-T475 PolarHBondContact O-N 3.01Å; T475-Q478 PolarHBondContact O-N 3.27Å; T475-I479 HydrophobicContact CG2-CD1 3.85Å; T475-I479 HydrophobicContact CG2-CG1 4.46Å; T475-I479 VanDerWaalsContact O-CG1 3.3Å; T475-I479 WeakPolarHBondContact O-CG1 3.45Å; T475-I479 PolarHBondContact O-N 2.76Å
476	M	68.9	Low	61.4	Low	9 Å²	9	71.6 Å²	71.6	4%	0.044	34%	0.34	C	S	.	.	H	α-helix	trans	-63.8	-42.5	177.3	-71.5	170.1	178.5	0	0	112.9	M472 A473 F474 Q478 I479 T480 F501 L504 G506 L507 M582	M472-M476 HydrophobicContact CG-CE 3.53Å; M472-M476 HydrophobicContact CG-SD 4.06Å; M472-M476 WeakPolarHBondContact O-CG 3.29Å; M472-M476 PolarHBondContact O-N 3.35Å; M472-M476 HydrophobicContact SD-CE 3.8Å; A473-M476 CarbonylContact O-C 3.55Å; A473-M476 WeakPolarHBondContact O-CA 3.43Å; A473-M476 WeakPolarHBondContact O-CB 3.38Å; A473-M476 PolarHBondContact O-N 3.28Å; F474-M476 PolarHBondContact O-N 3.24Å; M476-Q478 VanDerWaalsContact C-N 3.25Å; M476-Q478 PolarHBondContact O-N 2.92Å; M476-I479 PolarHBondContact O-N 2.97Å; M476-T480 PolarHBondContact O-N 2.81Å; M476-T480 PolarHBondContact O-OG1 2.91Å; M476-F501 HydrophobicContact CB-CE2 4.27Å; M476-L504 HydrophobicContact CB-CD1 3.71Å; M476-L504 HydrophobicContact CG-CD1 4.06Å; M476-L504 WeakPolarHBondContact O-CD1 3.49Å; M476-G506 WeakPolarHBondContact CE-O 3.47Å; M476-L507 HydrophobicContact CE-CD2 3.72Å; M476-L507 HydrophobicContact CE-CG 3.81Å; M476-L507 HydrophobicContact SD-CD1 4.35Å; M476-L507 HydrophobicContact SD-CD2 3.58Å; M476-L507 VanDerWaalsContact SD-CD2 3.58Å; M476-L507 HydrophobicContact SD-CG 3.72Å; M476-M582 HydrophobicContact CE-CE 4.19Å; M476-M582 HydrophobicContact SD-CE 3.7Å; M476-M582 HydrophobicContact SD-SD 3.59Å
477	Q	70.3	Confident	63.3	Low	28 Å²	28	61 Å²	61	13%	0.131	30%	0.302	C	S	.	.	H	α-helix	trans	-58.8	-39.3	174.2	-65.4	-171.6	11.1	0	0	111.4	A473 F474 T480 R481 F686	A473-Q477 VanDerWaalsContact O-CG 3.31Å; A473-Q477 WeakPolarHBondContact O-CG 3.45Å; A473-Q477 PolarHBondContact O-N 2.8Å; F474-Q477 PolarHBondContact O-N 3.11Å; Q477-T480 PolarHBondContact O-N 2.96Å; Q477-R481 WeakPolarHBondContact O-CB 3.5Å; Q477-R481 WeakPolarHBondContact O-CG 3.41Å; Q477-R481 PolarHBondContact O-N 3.08Å; Q477-R481 VanDerWaalsContact OE1-NH1 3.08Å; Q477-F686 HydrophobicContact CB-CD2 4.1Å; Q477-F686 HydrophobicContact CB-CE1 4.16Å; Q477-F686 HydrophobicContact CB-CE2 3.65Å; Q477-F686 HydrophobicContact CB-CZ 3.68Å; Q477-F686 VanDerWaalsContact CD-CG 3.49Å; Q477-F686 HydrophobicContact CG-CB 4.39Å; Q477-F686 HydrophobicContact CG-CD1 3.66Å; Q477-F686 HydrophobicContact CG-CD2 3.56Å; Q477-F686 HydrophobicContact CG-CE1 3.72Å; Q477-F686 HydrophobicContact CG-CE2 3.62Å; Q477-F686 HydrophobicContact CG-CG 3.58Å; Q477-F686 HydrophobicContact CG-CZ 3.69Å
478	Q	70.6	Confident	65.1	Low	19 Å²	19	61.8 Å²	61.8	9%	0.089	31%	0.309	C	S	.	.	H	α-helix	trans	-70.9	-38.7	176.6	-65	-60.8	-35.4	0	0	113.1	I314 F474 T475 M476 T480 R481 N482	I314-Q478 HydrophobicContact CD1-CG 3.39Å; F474-Q478 VanDerWaalsContact O-CG 3.27Å; F474-Q478 WeakPolarHBondContact O-CG 3.35Å; F474-Q478 PolarHBondContact O-N 2.88Å; T475-Q478 PolarHBondContact O-N 3.27Å; M476-Q478 VanDerWaalsContact C-N 3.25Å; M476-Q478 PolarHBondContact O-N 2.92Å; Q478-T480 PolarHBondContact O-N 3.05Å; Q478-R481 PolarHBondContact O-N 3.47Å; Q478-N482 VanDerWaalsContact O-CB 3.29Å; Q478-N482 WeakPolarHBondContact O-CB 3.1Å; Q478-N482 PolarHBondContact O-N 2.83Å; Q478-N482 PolarHBondContact O-ND2 2.73Å; Q478-N482 PolarHBondContact OE1-ND2 2.99Å
479	I	69.6	Low	66.4	Low	64 Å²	64	61.6 Å²	61.6	33%	0.328	31%	0.312	S	S	.	.	H	α-helix	trans	-62.8	-34.3	173.9	-65.7	164.8	0	0	0	110.2	T475 M476 N483 L504	T475-I479 HydrophobicContact CG2-CD1 3.85Å; T475-I479 HydrophobicContact CG2-CG1 4.46Å; T475-I479 VanDerWaalsContact O-CG1 3.3Å; T475-I479 WeakPolarHBondContact O-CG1 3.45Å; T475-I479 PolarHBondContact O-N 2.76Å; M476-I479 PolarHBondContact O-N 2.97Å; I479-N483 WeakPolarHBondContact CG2-ND2 3.38Å; I479-N483 WeakPolarHBondContact O-CB 3.47Å; I479-N483 VanDerWaalsContact O-CG 3.22Å; I479-N483 PolarHBondContact O-ND2 3.42Å; I479-L504 HydrophobicContact CB-CD2 4.36Å; I479-L504 HydrophobicContact CG2-CD2 3.59Å
480	T	67	Low	67.6	Low	9 Å²	9	57.5 Å²	57.5	6%	0.055	28%	0.283	C	S	.	.	H	α-helix	trans	-73.4	-35	174.4	-34.6	0	0	0	0	112.6	M476 Q477 Q478 L684	M476-T480 PolarHBondContact O-N 2.81Å; M476-T480 PolarHBondContact O-OG1 2.91Å; Q477-T480 PolarHBondContact O-N 2.96Å; Q478-T480 PolarHBondContact O-N 3.05Å; T480-L684 HydrophobicContact CG2-CD2 3.48Å; T480-L684 VanDerWaalsContact CG2-CD2 3.48Å
481	R	67.8	Low	68.9	Low	61 Å²	61	54.3 Å²	54.3	23%	0.23	28%	0.276	C	S	.	.	H	α-helix	trans	-78.7	-42.6	180	-77.4	-179.2	-179.6	115.2	-2.6	114.7	Q477 Q478 L684 E687	Q477-R481 WeakPolarHBondContact O-CB 3.5Å; Q477-R481 WeakPolarHBondContact O-CG 3.41Å; Q477-R481 PolarHBondContact O-N 3.08Å; Q477-R481 VanDerWaalsContact OE1-NH1 3.08Å; Q478-R481 PolarHBondContact O-N 3.47Å; R481-L684 HydrophobicContact CG-CD1 3.5Å; R481-L684 VanDerWaalsContact CG-CD1 3.5Å; R481-E687 IonicContact CZ-OE1 2.66Å; R481-E687 IonicContact NE-OE1 3.39Å; R481-E687 PolarHBondContact NE-OE1 2.84Å; R481-E687 IonicContact NH2-OE1 3.36Å; R481-E687 PolarHBondContact NH2-OE1 3.03Å
482	N	61.8	Low	69.7	Low	73 Å²	73	57.8 Å²	57.8	39%	0.39	30%	0.298	S	S	.	.	H	α-helix	trans	-98.6	-2.3	-161.7	-59.5	-23.6	0	0	0	114	Q316 Q478 E484	Q316-N482 PolarHBondContact NE2-OD1 3.14Å; Q478-N482 VanDerWaalsContact O-CB 3.29Å; Q478-N482 WeakPolarHBondContact O-CB 3.1Å; Q478-N482 PolarHBondContact O-N 2.83Å; Q478-N482 PolarHBondContact O-ND2 2.73Å; Q478-N482 PolarHBondContact OE1-ND2 2.99Å; N482-E484 PolarHBondContact O-N 2.92Å; N482-E484 VanDerWaalsContact O-N 3.13Å
483	N	64.3	Low	70.3	Confident	56 Å²	56	57.2 Å²	57.2	30%	0.299	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	35.2	-173.9	-83.6	1.7	0	0	0	114.2	I479 K485 A486 L487 L499	I479-N483 WeakPolarHBondContact CG2-ND2 3.38Å; I479-N483 WeakPolarHBondContact O-CB 3.47Å; I479-N483 VanDerWaalsContact O-CG 3.22Å; I479-N483 PolarHBondContact O-ND2 3.42Å; N483-K485 PolarHBondContact O-N 2.74Å; N483-A486 HydrophobicContact CB-CB 4.06Å; N483-A486 WeakPolarHBondContact O-CB 3.35Å; N483-A486 PolarHBondContact O-N 2.79Å; N483-L487 PolarHBondContact O-N 3.04Å; N483-L499 HydrophobicContact CB-CD1 3.46Å; N483-L499 VanDerWaalsContact CB-CD1 3.46Å; N483-L499 HydrophobicContact CB-CG 4.21Å; N483-L499 WeakPolarHBondContact ND2-CD1 3.45Å
484	E	63.1	Low	70.8	Confident	138 Å²	138	60.1 Å²	60.1	65%	0.645	31%	0.314	S	S	*	.	H	α-helix	trans	-50.9	-41.8	167.5	-63.9	-176.9	140.9	0	0	110.8	N482 A486 L487 E488	N482-E484 PolarHBondContact O-N 2.92Å; N482-E484 VanDerWaalsContact O-N 3.13Å; E484-A486 VanDerWaalsContact C-N 3.26Å; E484-A486 PolarHBondContact O-N 3.04Å; E484-L487 CarbonylContact O-C 3.56Å; E484-L487 WeakPolarHBondContact O-CA 3.3Å; E484-L487 WeakPolarHBondContact O-CB 3.2Å; E484-L487 PolarHBondContact O-N 2.73Å; E484-E488 PolarHBondContact O-N 2.9Å
485	K	68	Low	70.9	Confident	170 Å²	170	64 Å²	64	74%	0.739	35%	0.348	S	S	*	.	H	α-helix	trans	-58.1	-29.9	175.1	-70.9	173	-179.6	171.1	0	115	N483 L487 E488	N483-K485 PolarHBondContact O-N 2.74Å; K485-L487 VanDerWaalsContact C-N 3.29Å; K485-E488 WeakPolarHBondContact CA-OE1 3.5Å; K485-E488 VanDerWaalsContact CG-OE1 3.3Å; K485-E488 WeakPolarHBondContact CG-OE1 3.47Å
486	A	69.4	Low	71.3	Confident	33 Å²	33	63.1 Å²	63.1	27%	0.273	35%	0.345	S	S	.	.	H	α-helix	trans	-78	-20.3	174.6	0	0	0	0	0	112	N483 E484 Y490 I652	N483-A486 HydrophobicContact CB-CB 4.06Å; N483-A486 WeakPolarHBondContact O-CB 3.35Å; N483-A486 PolarHBondContact O-N 2.79Å; E484-A486 VanDerWaalsContact C-N 3.26Å; E484-A486 PolarHBondContact O-N 3.04Å; A486-Y490 WeakPolarHBondContact O-CD2 3.44Å; A486-I652 HydrophobicContact CB-CD1 4.4Å
487	L	77.7	Confident	71.8	Confident	18 Å²	18	63.4 Å²	63.4	9%	0.094	35%	0.347	C	S	.	.	H	α-helix	trans	-97.9	-20.2	-179.9	-59.4	175	0	0	0	112.8	N483 E484 K485 A489 Y490 Q491 L493 L499 L654	N483-L487 PolarHBondContact O-N 3.04Å; E484-L487 CarbonylContact O-C 3.56Å; E484-L487 WeakPolarHBondContact O-CA 3.3Å; E484-L487 WeakPolarHBondContact O-CB 3.2Å; E484-L487 PolarHBondContact O-N 2.73Å; K485-L487 VanDerWaalsContact C-N 3.29Å; L487-A489 VanDerWaalsContact C-N 3.25Å; L487-A489 PolarHBondContact O-N 2.88Å; L487-Y490 CarbonylContact O-C 3.59Å; L487-Y490 WeakPolarHBondContact O-CA 3.41Å; L487-Y490 PolarHBondContact O-N 2.8Å; L487-Q491 PolarHBondContact O-N 2.65Å; L487-L493 HydrophobicContact CB-CD1 4.24Å; L487-L493 HydrophobicContact CD2-CD1 4.02Å; L487-L499 HydrophobicContact CD2-CD2 3.81Å; L487-L499 HydrophobicContact CD2-CG 4.49Å; L487-L499 HydrophobicContact CG-CD2 4.44Å; L487-L654 HydrophobicContact CD2-CD2 3.45Å; L487-L654 VanDerWaalsContact CD2-CD2 3.45Å
488	E	77.7	Confident	72.4	Confident	127 Å²	127	63.3 Å²	63.3	59%	0.593	35%	0.345	S	S	*	.	H	α-helix	trans	-47.6	-48.1	173	-79.6	172.8	-148.3	0	0	111.5	E484 K485 Y490 Q491	E484-E488 PolarHBondContact O-N 2.9Å; K485-E488 WeakPolarHBondContact CA-OE1 3.5Å; K485-E488 VanDerWaalsContact CG-OE1 3.3Å; K485-E488 WeakPolarHBondContact CG-OE1 3.47Å; E488-Y490 PolarHBondContact O-N 3.15Å; E488-Y490 VanDerWaalsContact O-N 3.11Å; E488-Q491 PolarHBondContact O-N 2.72Å
489	A	75.4	Confident	73.1	Confident	58 Å²	58	63.2 Å²	63.2	48%	0.479	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-4.2	178.6	0	0	0	0	0	114.7	L487 N645	L487-A489 VanDerWaalsContact C-N 3.25Å; L487-A489 PolarHBondContact O-N 2.88Å; A489-N645 PolarHBondContact O-ND2 2.71Å
490	Y	77.7	Confident	74.1	Confident	13 Å²	13	60.2 Å²	60.2	5%	0.051	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	3.5	-179.4	-65.2	-100.2	0	0	0	112.6	A486 L487 E488 L566 V643 N645 S648 Q650 I652	A486-Y490 WeakPolarHBondContact O-CD2 3.44Å; L487-Y490 CarbonylContact O-C 3.59Å; L487-Y490 WeakPolarHBondContact O-CA 3.41Å; L487-Y490 PolarHBondContact O-N 2.8Å; E488-Y490 PolarHBondContact O-N 3.15Å; E488-Y490 VanDerWaalsContact O-N 3.11Å; Y490-L566 HydrophobicContact CD1-CD1 4.34Å; Y490-L566 HydrophobicContact CD1-CD2 3.84Å; Y490-L566 HydrophobicContact CG-CD2 4.44Å; Y490-V643 HydrophobicContact CD1-CG2 3.89Å; Y490-V643 HydrophobicContact CE1-CG2 4.14Å; Y490-N645 HydrophobicContact CD1-CB 4.26Å; Y490-N645 HydrophobicContact CE1-CB 4.14Å; Y490-S648 WeakPolarHBondContact OH-CB 3.32Å; Y490-S648 PolarHBondContact OH-OG 2.88Å; Y490-Q650 PolarHBondContact OH-O 2.59Å; Y490-I652 HydrophobicContact CD1-CG2 3.83Å; Y490-I652 HydrophobicContact CD2-CG2 4.34Å; Y490-I652 HydrophobicContact CE1-CB 4.35Å; Y490-I652 HydrophobicContact CE1-CG2 3.44Å; Y490-I652 VanDerWaalsContact CE1-CG2 3.44Å; Y490-I652 HydrophobicContact CE2-CD1 4.23Å; Y490-I652 HydrophobicContact CE2-CG2 4.04Å; Y490-I652 HydrophobicContact CG-CG2 4.27Å
491	Q	76.7	Confident	75.1	Confident	103 Å²	103	59.8 Å²	59.8	48%	0.481	33%	0.327	S	S	.	.			trans	-65.8	149.6	177.4	-66.1	-60.2	-29.7	0	0	112.6	L487 E488	L487-Q491 PolarHBondContact O-N 2.65Å; E488-Q491 PolarHBondContact O-N 2.72Å
492	P	76.9	Confident	76.3	Confident	85 Å²	85	57 Å²	57	55%	0.552	32%	0.316	S	S	*	.	S	Bend	cis	-79.2	134.3	1.3	31.7	-34.7	0	0	0	113.6
493	L	75.5	Confident	77.7	Confident	23 Å²	23	55 Å²	55	12%	0.12	31%	0.309	C	S	.	.			trans	-119.5	145.3	170.5	-69.2	175.6	0	0	0	110.4	L487 V497 L561 L566 L654	L487-L493 HydrophobicContact CB-CD1 4.24Å; L487-L493 HydrophobicContact CD2-CD1 4.02Å; L493-V497 HydrophobicContact CB-CB 4.48Å; L493-V497 HydrophobicContact CD1-CG1 4.38Å; L493-V497 HydrophobicContact CD2-CG1 4.35Å; L493-L561 HydrophobicContact CD2-CD1 3.56Å; L493-L566 HydrophobicContact CD2-CD1 3.75Å; L493-L654 HydrophobicContact CD1-CD1 4.15Å; L493-L654 HydrophobicContact CD2-CD1 4.2Å
494	P	75.3	Confident	78.8	Confident	63 Å²	63	52.8 Å²	52.8	41%	0.409	30%	0.297	S	S	.	.			trans	-60.5	144.6	167.3	-19.1	30.9	0	0	0	111	S496 V497 L561	P494-S496 PolarHBondContact O-N 2.58Å; P494-V497 HydrophobicContact CB-CG2 4.2Å; P494-V497 HydrophobicContact CG-CG2 4.2Å; P494-V497 WeakPolarHBondContact O-CB 3.24Å; P494-V497 PolarHBondContact O-N 3.09Å; P494-L561 HydrophobicContact CG-CD2 3.57Å
495	S	70.4	Confident	79.7	Confident	136 Å²	136	51.5 Å²	51.5	95%	0.951	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-10.1	-175.3	58.3	0	0	0	0	115.5
496	S	72.4	Confident	80.4	Confident	40 Å²	40	45.4 Å²	45.4	28%	0.28	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-14.3	171.3	53.1	0	0	0	0	113.6	P494	P494-S496 PolarHBondContact O-N 2.58Å
497	V	80.5	Confident	81.4	Confident	15 Å²	15	44 Å²	44	9%	0.091	27%	0.274	C	S	.	.			trans	-89.2	132.9	-177.3	-175.9	0	0	0	0	110.3	L493 P494 L561 L654 L656	L493-V497 HydrophobicContact CB-CB 4.48Å; L493-V497 HydrophobicContact CD1-CG1 4.38Å; L493-V497 HydrophobicContact CD2-CG1 4.35Å; P494-V497 HydrophobicContact CB-CG2 4.2Å; P494-V497 HydrophobicContact CG-CG2 4.2Å; P494-V497 WeakPolarHBondContact O-CB 3.24Å; P494-V497 PolarHBondContact O-N 3.09Å; V497-L561 HydrophobicContact CG2-CD2 4.44Å; V497-L654 HydrophobicContact CG1-CB 3.81Å; V497-L654 HydrophobicContact CG1-CD1 3.79Å; V497-L654 HydrophobicContact CG1-CG 4.32Å; V497-L656 HydrophobicContact CG2-CD2 4.01Å
498	R	82.4	Confident	81.9	Confident	26 Å²	26	46.6 Å²	46.6	10%	0.098	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	176.4	-175.2	53.4	166.7	162.6	-85.3	-10.8	109.3	L654 S655 D682 S683 L684	R498-L654 CarbonylContact O-C 3.44Å; R498-L654 WeakPolarHBondContact O-CA 3.14Å; R498-L654 WeakPolarHBondContact O-CB 3.33Å; R498-S655 PolarHBondContact NE-OG 3.42Å; R498-S655 PolarHBondContact O-N 2.68Å; R498-D682 PolarHBondContact NH1-O 2.82Å; R498-S683 PolarHBondContact NH1-O 3.04Å; R498-S683 VanDerWaalsContact NH1-O 3.14Å; R498-S683 PolarHBondContact NH2-O 2.93Å; R498-L684 VanDerWaalsContact CD-CD2 3.41Å
499	L	86.3	Confident	82.5	Confident	17 Å²	17	42 Å²	42	9%	0.089	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	144.3	163.3	-59.5	-172.7	0	0	0	111	N483 L487 I652 L654	N483-L499 HydrophobicContact CB-CD1 3.46Å; N483-L499 VanDerWaalsContact CB-CD1 3.46Å; N483-L499 HydrophobicContact CB-CG 4.21Å; N483-L499 WeakPolarHBondContact ND2-CD1 3.45Å; L487-L499 HydrophobicContact CD2-CD2 3.81Å; L487-L499 HydrophobicContact CD2-CG 4.49Å; L487-L499 HydrophobicContact CG-CD2 4.44Å; L499-I652 HydrophobicContact CD2-CD1 3.45Å; L499-I652 VanDerWaalsContact CD2-CD1 3.45Å; L499-I652 HydrophobicContact CD2-CG1 3.81Å; L499-L654 HydrophobicContact CD2-CD2 4.03Å
500	S	89.3	Confident	83.4	Confident	0 Å²	0	41 Å²	41	0%	0	26%	0.263	C	S	.	.			trans	-63.2	136.7	169.6	156.9	0	0	0	0	111	L502 S503 E638 Q640 E653	S500-L502 PolarHBondContact OG-N 3.1Å; S500-S503 VanDerWaalsContact CB-OG 3.22Å; S500-S503 WeakPolarHBondContact CB-OG 3.34Å; S500-S503 VanDerWaalsContact OG-CB 3.27Å; S500-S503 WeakPolarHBondContact OG-CB 3.39Å; S500-S503 PolarHBondContact OG-N 3.25Å; S500-S503 PolarHBondContact OG-OG 2.86Å; S500-S503 VanDerWaalsContact OG-OG 3.14Å; S500-E638 PolarHBondContact OG-OE2 3.05Å; S500-Q640 PolarHBondContact OG-NE2 3.04Å; S500-Q640 PolarHBondContact OG-OE1 3.09Å; S500-E653 PolarHBondContact N-O 3.08Å
501	F	89.4	Confident	84.3	Confident	1 Å²	1	42 Å²	42	0%	0.004	27%	0.27	C	S	.	.	S	Bend	trans	-75.3	-46.3	172.7	172	-111	0	0	0	110.4	M476 S503 L504 L507 F578 L636 E638 P685 F686	M476-F501 HydrophobicContact CB-CE2 4.27Å; F501-S503 PolarHBondContact O-N 2.92Å; F501-L504 HydrophobicContact CD2-CD1 4.05Å; F501-L504 VanDerWaalsContact O-CG 3.31Å; F501-L504 WeakPolarHBondContact O-CG 3.43Å; F501-L504 PolarHBondContact O-N 3.04Å; F501-L507 HydrophobicContact CE1-CD1 4.45Å; F501-L507 HydrophobicContact CZ-CD1 4.33Å; F501-L507 WeakPolarHBondContact O-CD1 3.44Å; F501-F578 HydrophobicContact CE1-CD2 4.28Å; F501-F578 AromaticContact CE1-CE2 3.59Å; F501-F578 HydrophobicContact CE1-CE2 3.59Å; F501-F578 HydrophobicContact CE1-CZ 4.28Å; F501-F578 AromaticContact CZ-CE2 3.94Å; F501-F578 HydrophobicContact CZ-CE2 3.94Å; F501-L636 HydrophobicContact CD1-CD2 4.07Å; F501-L636 HydrophobicContact CE1-CD2 4.2Å; F501-E638 PolarHBondContact N-OE1 3.1Å; F501-E638 VanDerWaalsContact N-OE1 3.09Å; F501-E638 PolarHBondContact N-OE2 2.75Å; F501-P685 HydrophobicContact CB-CG 4.22Å; F501-P685 HydrophobicContact CD1-CG 3.91Å; F501-P685 HydrophobicContact CE1-CG 4.49Å; F501-P685 HydrophobicContact CG-CG 4.05Å; F501-F686 HydrophobicContact CD2-CD1 4.43Å; F501-F686 AromaticContact CD2-CE1 3.89Å; F501-F686 HydrophobicContact CD2-CE1 3.89Å; F501-F686 HydrophobicContact CE2-CD1 4.25Å; F501-F686 HydrophobicContact CE2-CE1 4.06Å; F501-F686 HydrophobicContact CG-CE1 4.49Å
502	L	92.7	Very high	85.2	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	3	-176.2	-63.1	-178.8	0	0	0	114.4	S500 L507 R574 P583 I587 L636 E638	S500-L502 PolarHBondContact OG-N 3.1Å; L502-L507 HydrophobicContact CD2-CD1 4.44Å; L502-R574 HydrophobicContact CB-CB 3.79Å; L502-R574 HydrophobicContact CB-CG 4.35Å; L502-R574 HydrophobicContact CD1-CB 3.83Å; L502-R574 HydrophobicContact CG-CB 4.48Å; L502-R574 WeakPolarHBondContact O-CD 3.27Å; L502-R574 PolarHBondContact O-NH1 3.47Å; L502-P583 HydrophobicContact CD2-CG 3.88Å; L502-I587 HydrophobicContact CB-CD1 4.45Å; L502-I587 HydrophobicContact CB-CG2 4.22Å; L502-I587 HydrophobicContact CD2-CD1 4.09Å; L502-I587 HydrophobicContact CD2-CG1 4.42Å; L502-L636 HydrophobicContact CD1-CD2 4.27Å; L502-L636 HydrophobicContact CD1-CG 4.32Å; L502-L636 HydrophobicContact CD2-CD2 4.19Å; L502-L636 HydrophobicContact CG-CD2 4.35Å; L502-E638 WeakPolarHBondContact CB-OE2 3.48Å; L502-E638 HydrophobicContact CD1-CB 4.06Å; L502-E638 PolarHBondContact N-OE2 3.09Å
503	S	89.7	Confident	86	Confident	32 Å²	32	38.2 Å²	38.2	22%	0.224	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	1.1	170.8	79.2	0	0	0	0	114.3	S500 F501 E653	S500-S503 VanDerWaalsContact CB-OG 3.22Å; S500-S503 WeakPolarHBondContact CB-OG 3.34Å; S500-S503 VanDerWaalsContact OG-CB 3.27Å; S500-S503 WeakPolarHBondContact OG-CB 3.39Å; S500-S503 PolarHBondContact OG-N 3.25Å; S500-S503 PolarHBondContact OG-OG 2.86Å; S500-S503 VanDerWaalsContact OG-OG 3.14Å; F501-S503 PolarHBondContact O-N 2.92Å; S503-E653 WeakPolarHBondContact CB-OE2 3.45Å
504	L	87.7	Confident	86.8	Confident	9 Å²	9	39.8 Å²	39.8	5%	0.047	25%	0.25	C	S	.	.			trans	-59.8	136	-177.9	-70.1	179.4	0	0	0	111.3	M476 I479 F501 G506 L507	M476-L504 HydrophobicContact CB-CD1 3.71Å; M476-L504 HydrophobicContact CG-CD1 4.06Å; M476-L504 WeakPolarHBondContact O-CD1 3.49Å; I479-L504 HydrophobicContact CB-CD2 4.36Å; I479-L504 HydrophobicContact CG2-CD2 3.59Å; F501-L504 HydrophobicContact CD2-CD1 4.05Å; F501-L504 VanDerWaalsContact O-CG 3.31Å; F501-L504 WeakPolarHBondContact O-CG 3.43Å; F501-L504 PolarHBondContact O-N 3.04Å; L504-G506 VanDerWaalsContact C-N 3.26Å; L504-G506 PolarHBondContact O-N 3.49Å; L504-G506 VanDerWaalsContact O-N 3.1Å; L504-L507 WeakPolarHBondContact O-CB 3.48Å; L504-L507 PolarHBondContact O-N 3.14Å
505	P	83.3	Confident	87.7	Confident	111 Å²	111	37.4 Å²	37.4	72%	0.721	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-55.2	-34.7	-174	-30.4	36.1	0	0	0	115.3	L507 A508	P505-L507 PolarHBondContact O-N 2.83Å; P505-A508 WeakPolarHBondContact O-CB 3.38Å; P505-A508 PolarHBondContact O-N 3.09Å; P505-A508 VanDerWaalsContact O-N 3.09Å
506	G	81.6	Confident	88.8	Confident	42 Å²	42	31 Å²	31	43%	0.433	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-68	-14.6	176.4	0	0	0	0	0	114.6	M476 L504	M476-G506 WeakPolarHBondContact CE-O 3.47Å; L504-G506 VanDerWaalsContact C-N 3.26Å; L504-G506 PolarHBondContact O-N 3.49Å; L504-G506 VanDerWaalsContact O-N 3.1Å
507	L	90	Very high	89.7	Confident	4 Å²	4	29.4 Å²	29.4	2%	0.021	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-91.3	-2.3	172.8	-66.5	178.7	0	0	0	113	M476 F501 L502 L504 P505 S509 Y510 M582 P583 I587	M476-L507 HydrophobicContact CE-CD2 3.72Å; M476-L507 HydrophobicContact CE-CG 3.81Å; M476-L507 HydrophobicContact SD-CD1 4.35Å; M476-L507 HydrophobicContact SD-CD2 3.58Å; M476-L507 VanDerWaalsContact SD-CD2 3.58Å; M476-L507 HydrophobicContact SD-CG 3.72Å; F501-L507 HydrophobicContact CE1-CD1 4.45Å; F501-L507 HydrophobicContact CZ-CD1 4.33Å; F501-L507 WeakPolarHBondContact O-CD1 3.44Å; L502-L507 HydrophobicContact CD2-CD1 4.44Å; L504-L507 WeakPolarHBondContact O-CB 3.48Å; L504-L507 PolarHBondContact O-N 3.14Å; P505-L507 PolarHBondContact O-N 2.83Å; L507-S509 PolarHBondContact O-N 3.33Å; L507-Y510 HydrophobicContact CB-CD2 4.38Å; L507-Y510 HydrophobicContact CD2-CD2 3.78Å; L507-Y510 HydrophobicContact CD2-CE2 3.68Å; L507-Y510 WeakPolarHBondContact O-CB 3.45Å; L507-Y510 PolarHBondContact O-N 2.93Å; L507-M582 HydrophobicContact CD2-CE 3.62Å; L507-M582 HydrophobicContact CD2-SD 4.27Å; L507-P583 HydrophobicContact CD1-CG 4.03Å; L507-P583 HydrophobicContact CD2-CG 3.93Å; L507-I587 HydrophobicContact CB-CD1 3.93Å; L507-I587 HydrophobicContact CD1-CD1 4.26Å
508	A	89.2	Confident	90.1	Very high	72 Å²	72	28.7 Å²	28.7	60%	0.595	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.7	-178.2	0	0	0	0	0	114.1	P505 Y510 N511	P505-A508 WeakPolarHBondContact O-CB 3.38Å; P505-A508 PolarHBondContact O-N 3.09Å; P505-A508 VanDerWaalsContact O-N 3.09Å; A508-Y510 VanDerWaalsContact C-N 3.32Å; A508-N511 PolarHBondContact O-ND2 2.86Å
509	S	90.2	Very high	90.3	Very high	31 Å²	31	31 Å²	31	22%	0.217	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-13.9	172.8	71.5	0	0	0	0	113.6	L507 N511 K514	L507-S509 PolarHBondContact O-N 3.33Å; S509-N511 VanDerWaalsContact C-N 3.27Å; S509-N511 PolarHBondContact O-N 3.26Å; S509-N511 PolarHBondContact O-OD1 3.42Å; S509-K514 WeakPolarHBondContact O-CB 3.19Å; S509-K514 WeakPolarHBondContact O-CD 3.21Å; S509-K514 PolarHBondContact OG-NZ 2.8Å
510	Y	94.9	Very high	90.2	Very high	36 Å²	36	31.3 Å²	31.3	14%	0.141	19%	0.185	C	C	.	.			trans	-80.5	70.8	-180	-72.2	-100.3	0	0	0	111.8	L507 A508 F515 M582 P583 S585 N586 I587	L507-Y510 HydrophobicContact CB-CD2 4.38Å; L507-Y510 HydrophobicContact CD2-CD2 3.78Å; L507-Y510 HydrophobicContact CD2-CE2 3.68Å; L507-Y510 WeakPolarHBondContact O-CB 3.45Å; L507-Y510 PolarHBondContact O-N 2.93Å; A508-Y510 VanDerWaalsContact C-N 3.32Å; Y510-F515 AromaticContact CD1-CE2 3.8Å; Y510-F515 HydrophobicContact CD1-CE2 3.8Å; Y510-F515 HydrophobicContact CD1-CZ 4.03Å; Y510-F515 HydrophobicContact CE1-CZ 4.44Å; Y510-F515 HydrophobicContact CG-CE2 4.45Å; Y510-M582 HydrophobicContact CE2-CE 4.16Å; Y510-M582 WeakPolarHBondContact OH-CE 3.38Å; Y510-P583 HydrophobicContact CD1-CB 3.97Å; Y510-P583 HydrophobicContact CE1-CB 4.18Å; Y510-P583 WeakPolarHBondContact CE1-O 3.25Å; Y510-P583 HydrophobicContact CG-CB 4.43Å; Y510-S585 WeakPolarHBondContact CD1-O 3.48Å; Y510-N586 CarbonylContact O-C 3.52Å; Y510-N586 WeakPolarHBondContact O-CA 3.22Å; Y510-I587 PolarHBondContact O-N 3.18Å
511	N	95.4	Very high	89.8	Confident	35 Å²	35	31.5 Å²	31.5	19%	0.187	19%	0.188	C	C	.	.	S	Bend	trans	-135.8	177.3	-167.8	63.9	24.6	0	0	0	111.6	A508 S509 Q513 K514 F515 D788	A508-N511 PolarHBondContact O-ND2 2.86Å; S509-N511 VanDerWaalsContact C-N 3.27Å; S509-N511 PolarHBondContact O-N 3.26Å; S509-N511 PolarHBondContact O-OD1 3.42Å; N511-Q513 VanDerWaalsContact C-N 3.28Å; N511-Q513 PolarHBondContact O-N 3.23Å; N511-Q513 WeakPolarHBondContact OD1-CA 3.35Å; N511-Q513 WeakPolarHBondContact OD1-CB 3.31Å; N511-Q513 PolarHBondContact OD1-N 2.83Å; N511-K514 PolarHBondContact O-N 3.15Å; N511-K514 PolarHBondContact OD1-N 3.09Å; N511-F515 WeakPolarHBondContact O-CD2 3.43Å; N511-F515 PolarHBondContact O-N 3.09Å; N511-D788 WeakPolarHBondContact CB-OD1 3.42Å; N511-D788 WeakPolarHBondContact CB-OD2 3.47Å
512	Y	95.9	Very high	89.4	Confident	16 Å²	16	38.3 Å²	38.3	6%	0.063	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-34.1	177.6	-71.7	-70.2	0	0	0	112.3	K514 F515 L516 N586 L738 I739 G740 L748 A787 D788	Y512-K514 VanDerWaalsContact C-N 3.27Å; Y512-K514 PolarHBondContact O-N 2.83Å; Y512-F515 PolarHBondContact O-N 2.85Å; Y512-L516 HydrophobicContact CD1-CD1 4.13Å; Y512-L516 HydrophobicContact CD1-CG 4.21Å; Y512-L516 HydrophobicContact CG-CD1 4.39Å; Y512-L516 VanDerWaalsContact O-CB 3.31Å; Y512-L516 WeakPolarHBondContact O-CB 3.18Å; Y512-L516 WeakPolarHBondContact O-CG 3.04Å; Y512-L516 PolarHBondContact O-N 3.44Å; Y512-N586 WeakPolarHBondContact CE1-ND2 3.24Å; Y512-L738 HydrophobicContact CD1-CD1 4.14Å; Y512-L738 HydrophobicContact CE1-CD1 4.31Å; Y512-I739 WeakPolarHBondContact CE1-O 3.49Å; Y512-I739 PolarHBondContact OH-O 2.83Å; Y512-G740 WeakPolarHBondContact OH-CA 3.34Å; Y512-L748 HydrophobicContact CD1-CD2 4.19Å; Y512-L748 HydrophobicContact CE1-CD1 4.37Å; Y512-L748 HydrophobicContact CE1-CD2 4.12Å; Y512-A787 HydrophobicContact CD2-CB 3.92Å; Y512-A787 WeakPolarHBondContact CD2-O 3.42Å; Y512-A787 HydrophobicContact CG-CB 3.95Å; Y512-D788 WeakPolarHBondContact CB-OD1 3.46Å; Y512-D788 VanDerWaalsContact CD2-OD1 3.3Å; Y512-D788 WeakPolarHBondContact CD2-OD1 3.16Å; Y512-D788 VanDerWaalsContact N-CG 3.33Å; Y512-D788 PolarHBondContact N-OD1 2.61Å; Y512-D788 PolarHBondContact N-OD2 3.17Å; Y512-D788 VanDerWaalsContact N-OD2 3.14Å
513	Q	93.4	Very high	88.8	Confident	93 Å²	93	41.7 Å²	41.7	44%	0.435	25%	0.248	S	C	.	.	H	α-helix	trans	-57.5	-38.7	173.3	-166.1	176.5	10.2	0	0	112	N511 S517 P784 D788	N511-Q513 VanDerWaalsContact C-N 3.28Å; N511-Q513 PolarHBondContact O-N 3.23Å; N511-Q513 WeakPolarHBondContact OD1-CA 3.35Å; N511-Q513 WeakPolarHBondContact OD1-CB 3.31Å; N511-Q513 PolarHBondContact OD1-N 2.83Å; Q513-S517 WeakPolarHBondContact O-CB 3.47Å; Q513-S517 PolarHBondContact O-OG 2.83Å; Q513-P784 HydrophobicContact CB-CB 4.26Å; Q513-P784 HydrophobicContact CG-CB 4.4Å; Q513-D788 WeakPolarHBondContact CB-OD2 3.24Å; Q513-D788 PolarHBondContact N-OD2 3.15Å
514	K	92.8	Very high	88.1	Confident	56 Å²	56	45.4 Å²	45.4	24%	0.243	26%	0.261	C	S	.	.	H	α-helix	trans	-79.8	-27.3	175.1	-173.7	174.5	-174.4	175.6	0	113.9	S509 N511 Y512 Q892	S509-K514 WeakPolarHBondContact O-CB 3.19Å; S509-K514 WeakPolarHBondContact O-CD 3.21Å; S509-K514 PolarHBondContact OG-NZ 2.8Å; N511-K514 PolarHBondContact O-N 3.15Å; N511-K514 PolarHBondContact OD1-N 3.09Å; Y512-K514 VanDerWaalsContact C-N 3.27Å; Y512-K514 PolarHBondContact O-N 2.83Å; K514-Q892 PolarHBondContact O-NE2 2.78Å; K514-Q892 PolarHBondContact O-OE1 2.84Å
515	F	94.5	Very high	87.5	Confident	13 Å²	13	51.8 Å²	51.8	6%	0.057	30%	0.295	C	S	.	.	H	α-helix	trans	-103.4	-14.2	-172.9	-78.9	-90.1	0	0	0	115.7	Y510 N511 Y512 I584 N586 P735 I737 L738	Y510-F515 AromaticContact CD1-CE2 3.8Å; Y510-F515 HydrophobicContact CD1-CE2 3.8Å; Y510-F515 HydrophobicContact CD1-CZ 4.03Å; Y510-F515 HydrophobicContact CE1-CZ 4.44Å; Y510-F515 HydrophobicContact CG-CE2 4.45Å; N511-F515 WeakPolarHBondContact O-CD2 3.43Å; N511-F515 PolarHBondContact O-N 3.09Å; Y512-F515 PolarHBondContact O-N 2.85Å; F515-I584 WeakPolarHBondContact CE1-O 3.46Å; F515-I584 VanDerWaalsContact CZ-O 3.27Å; F515-I584 WeakPolarHBondContact CZ-O 3.38Å; F515-N586 HydrophobicContact CB-CB 4.13Å; F515-N586 HydrophobicContact CD2-CB 3.79Å; F515-N586 VanDerWaalsContact CD2-N 3.28Å; F515-N586 HydrophobicContact CG-CB 4.07Å; F515-P735 WeakPolarHBondContact O-CG 3.08Å; F515-I737 HydrophobicContact CE1-CG2 4.49Å; F515-L738 HydrophobicContact CB-CD1 3.67Å
516	L	94	Very high	87.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-94.6	-26	171.6	-60.7	178.3	0	0	0	113.7	Y512 P735 L738 L748 F783 P784 A787	Y512-L516 HydrophobicContact CD1-CD1 4.13Å; Y512-L516 HydrophobicContact CD1-CG 4.21Å; Y512-L516 HydrophobicContact CG-CD1 4.39Å; Y512-L516 VanDerWaalsContact O-CB 3.31Å; Y512-L516 WeakPolarHBondContact O-CB 3.18Å; Y512-L516 WeakPolarHBondContact O-CG 3.04Å; Y512-L516 PolarHBondContact O-N 3.44Å; L516-P735 HydrophobicContact CD2-CG 4.37Å; L516-L738 HydrophobicContact CD2-CD1 4.16Å; L516-L738 HydrophobicContact CD2-CD2 3.81Å; L516-L748 HydrophobicContact CD1-CD2 3.8Å; L516-L748 HydrophobicContact CD2-CD2 4.21Å; L516-F783 HydrophobicContact CD1-CD1 4.23Å; L516-F783 HydrophobicContact CD1-CE1 3.87Å; L516-P784 HydrophobicContact CB-CB 4.5Å; L516-P784 HydrophobicContact CB-CG 4.38Å; L516-P784 HydrophobicContact CD1-CB 4.37Å; L516-A787 HydrophobicContact CD1-CB 4.45Å
517	S	90.5	Very high	87.2	Confident	8 Å²	8	51.2 Å²	51.2	6%	0.056	27%	0.273	C	S	.	.	S	Bend	trans	-60.1	125	178.1	-69.6	0	0	0	0	111.4	Q513 K519 P890	Q513-S517 WeakPolarHBondContact O-CB 3.47Å; Q513-S517 PolarHBondContact O-OG 2.83Å; S517-K519 PolarHBondContact O-N 3.5Å; S517-P890 WeakPolarHBondContact CA-O 3.41Å; S517-P890 WeakPolarHBondContact CB-O 3.15Å; S517-P890 PolarHBondContact OG-O 3.4Å
518	P	88.1	Confident	86.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.294	C	S	.	.			trans	-61.1	137	-179.1	-27.3	38.2	0	0	0	112.7	F527 D529 I530 L755 F759 P890 Q892	P518-F527 HydrophobicContact CB-CD1 3.51Å; P518-F527 HydrophobicContact CB-CE1 3.77Å; P518-F527 HydrophobicContact CB-CG 4.21Å; P518-D529 WeakPolarHBondContact CA-OD1 3.2Å; P518-I530 HydrophobicContact CB-CD1 3.96Å; P518-I530 HydrophobicContact CB-CG1 4.44Å; P518-I530 HydrophobicContact CG-CD1 3.55Å; P518-I530 HydrophobicContact CG-CG1 4.48Å; P518-L755 HydrophobicContact CG-CD1 3.8Å; P518-L755 HydrophobicContact CG-CD2 3.98Å; P518-L755 HydrophobicContact CG-CG 4.39Å; P518-F759 HydrophobicContact CB-CE2 4.31Å; P518-F759 HydrophobicContact CB-CZ 4.31Å; P518-F759 HydrophobicContact CG-CE2 3.89Å; P518-F759 HydrophobicContact CG-CZ 3.95Å; P518-P890 WeakPolarHBondContact CD-O 3.43Å; P518-Q892 PolarHBondContact O-N 3.08Å
519	K	87.8	Confident	86.6	Confident	74 Å²	74	52 Å²	52	32%	0.322	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-96.6	107.9	-176.9	-70.9	173.9	-179.4	178.2	0	109.6	S517 F527 T528 D529 Q892	S517-K519 PolarHBondContact O-N 3.5Å; K519-F527 CarbonylContact O-C 3.6Å; K519-F527 VanDerWaalsContact O-CA 3.27Å; K519-F527 WeakPolarHBondContact O-CA 3.3Å; K519-T528 WeakPolarHBondContact CB-OG1 3.48Å; K519-T528 PolarHBondContact O-N 3.41Å; K519-T528 PolarHBondContact O-OG1 2.93Å; K519-D529 PolarHBondContact N-OD1 2.96Å; K519-Q892 HydrophobicContact CG-CB 4.2Å
520	L	83.9	Confident	86.1	Confident	23 Å²	23	51 Å²	51	12%	0.12	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-69.9	132.8	174.1	-166.6	70	0	0	0	109	H524 F527 I891 Q892 F893 P894	L520-H524 HydrophobicContact CD2-CB 3.97Å; L520-F527 HydrophobicContact CB-CD1 4.43Å; L520-F527 HydrophobicContact CB-CE1 4.38Å; L520-F527 HydrophobicContact CD1-CD1 4.21Å; L520-F527 HydrophobicContact CD1-CE1 3.94Å; L520-F527 HydrophobicContact CD1-CZ 4.22Å; L520-I891 HydrophobicContact CB-CG2 4.21Å; L520-Q892 VanDerWaalsContact CB-O 3.26Å; L520-Q892 WeakPolarHBondContact CB-O 3.45Å; L520-Q892 PolarHBondContact N-O 3.2Å; L520-F893 HydrophobicContact CD2-CD1 3.7Å; L520-F893 HydrophobicContact CD2-CE1 3.8Å; L520-P894 WeakPolarHBondContact O-CD 2.97Å
521	G	79.9	Confident	85.4	Confident	5 Å²	5	53.2 Å²	53.2	5%	0.052	28%	0.276	C	S	.	.			trans	-76	166.7	178	0	0	0	0	0	112.9	S523 H524 I526	G521-S523 PolarHBondContact O-N 2.93Å; G521-H524 WeakPolarHBondContact O-CA 3.14Å; G521-H524 PolarHBondContact O-N 3.16Å; G521-I526 PolarHBondContact N-O 3.28Å
522	N	81.1	Confident	84.4	Confident	144 Å²	144	54.7 Å²	54.7	77%	0.77	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.2	-176.1	-58	18.8	0	0	0	114.3	H524	N522-H524 VanDerWaalsContact C-N 3.25Å; N522-H524 PolarHBondContact O-N 3.13Å
523	S	80.5	Confident	83.5	Confident	71 Å²	71	56.5 Å²	56.5	50%	0.497	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-13.4	173.8	61.9	0	0	0	0	113.9	G521 L525	G521-S523 PolarHBondContact O-N 2.93Å; S523-L525 PolarHBondContact O-N 3.12Å; S523-L525 VanDerWaalsContact O-N 3.14Å; S523-L525 PolarHBondContact OG-N 3.44Å
524	H	76.3	Confident	82.4	Confident	110 Å²	110	57.1 Å²	57.1	51%	0.509	31%	0.305	S	S	.	.	S	Bend	trans	57.7	11.5	-168.6	-54.2	-69.2	0	0	0	115.8	L520 G521 N522 P894	L520-H524 HydrophobicContact CD2-CB 3.97Å; G521-H524 WeakPolarHBondContact O-CA 3.14Å; G521-H524 PolarHBondContact O-N 3.16Å; N522-H524 VanDerWaalsContact C-N 3.25Å; N522-H524 PolarHBondContact O-N 3.13Å; H524-P894 VanDerWaalsContact CE1-CG 3.49Å; H524-P894 WeakPolarHBondContact CE1-CG 3.47Å
525	L	73.9	Confident	81.4	Confident	143 Å²	143	61.2 Å²	61.2	75%	0.749	33%	0.329	S	S	*	.	S	Bend	trans	-103.4	-20	-177.6	-64.4	177.6	0	0	0	114.5	S523	S523-L525 PolarHBondContact O-N 3.12Å; S523-L525 VanDerWaalsContact O-N 3.14Å; S523-L525 PolarHBondContact OG-N 3.44Å
526	I	76.8	Confident	80.5	Confident	109 Å²	109	62.9 Å²	62.9	56%	0.559	34%	0.342	S	S	*	.	S	Bend	trans	-137.3	155.4	-175.7	61.3	172.8	0	0	0	111.3	G521	G521-I526 PolarHBondContact N-O 3.28Å
527	F	83.1	Confident	79.3	Confident	32 Å²	32	69.6 Å²	69.6	14%	0.14	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-89.3	142.2	167	-62	-79.7	0	0	0	110.3	P518 K519 L520 I530 F759 I891	P518-F527 HydrophobicContact CB-CD1 3.51Å; P518-F527 HydrophobicContact CB-CE1 3.77Å; P518-F527 HydrophobicContact CB-CG 4.21Å; K519-F527 CarbonylContact O-C 3.6Å; K519-F527 VanDerWaalsContact O-CA 3.27Å; K519-F527 WeakPolarHBondContact O-CA 3.3Å; L520-F527 HydrophobicContact CB-CD1 4.43Å; L520-F527 HydrophobicContact CB-CE1 4.38Å; L520-F527 HydrophobicContact CD1-CD1 4.21Å; L520-F527 HydrophobicContact CD1-CE1 3.94Å; L520-F527 HydrophobicContact CD1-CZ 4.22Å; F527-I530 HydrophobicContact CB-CB 4.11Å; F527-F759 HydrophobicContact CD2-CD1 4.46Å; F527-F759 HydrophobicContact CD2-CD2 4.23Å; F527-F759 HydrophobicContact CD2-CE2 4.48Å; F527-F759 HydrophobicContact CD2-CG 4.23Å; F527-F759 HydrophobicContact CE1-CE1 4.34Å; F527-F759 HydrophobicContact CE1-CZ 4.28Å; F527-F759 HydrophobicContact CE2-CB 4.24Å; F527-F759 AromaticContact CE2-CD1 3.41Å; F527-F759 HydrophobicContact CE2-CD1 3.41Å; F527-F759 VanDerWaalsContact CE2-CD1 3.41Å; F527-F759 AromaticContact CE2-CD2 3.91Å; F527-F759 HydrophobicContact CE2-CD2 3.91Å; F527-F759 AromaticContact CE2-CE1 3.65Å; F527-F759 HydrophobicContact CE2-CE1 3.65Å; F527-F759 HydrophobicContact CE2-CE2 4.1Å; F527-F759 AromaticContact CE2-CG 3.57Å; F527-F759 HydrophobicContact CE2-CG 3.57Å; F527-F759 AromaticContact CE2-CZ 3.98Å; F527-F759 HydrophobicContact CE2-CZ 3.98Å; F527-F759 AromaticContact CZ-CD1 3.68Å; F527-F759 HydrophobicContact CZ-CD1 3.68Å; F527-F759 HydrophobicContact CZ-CD2 4.49Å; F527-F759 AromaticContact CZ-CE1 3.41Å; F527-F759 HydrophobicContact CZ-CE1 3.41Å; F527-F759 VanDerWaalsContact CZ-CE1 3.41Å; F527-F759 HydrophobicContact CZ-CE2 4.25Å; F527-F759 HydrophobicContact CZ-CG 4.23Å; F527-F759 AromaticContact CZ-CZ 3.73Å; F527-F759 HydrophobicContact CZ-CZ 3.73Å; F527-I891 HydrophobicContact CE1-CD1 4.34Å; F527-I891 HydrophobicContact CE1-CG1 4.22Å; F527-I891 HydrophobicContact CE1-CG2 4.01Å; F527-I891 HydrophobicContact CZ-CD1 4.15Å; F527-I891 HydrophobicContact CZ-CG1 4.46Å
528	T	82.4	Confident	78.4	Confident	75 Å²	75	74.5 Å²	74.5	46%	0.46	39%	0.392	S	S	.	.	S	Bend	trans	-84.1	-26.6	-179.4	58.3	0	0	0	0	112.8	K519	K519-T528 WeakPolarHBondContact CB-OG1 3.48Å; K519-T528 PolarHBondContact O-N 3.41Å; K519-T528 PolarHBondContact O-OG1 2.93Å
529	D	82.7	Confident	78	Confident	17 Å²	17	75 Å²	75	9%	0.091	39%	0.394	C	S	.	.	S	Bend	trans	-112.9	-7.9	-174.1	77.3	-60.5	0	0	0	113.7	P518 K519 R752	P518-D529 WeakPolarHBondContact CA-OD1 3.2Å; K519-D529 PolarHBondContact N-OD1 2.96Å; D529-R752 PolarHBondContact O-NH2 3.36Å; D529-R752 IonicContact OD2-CZ 2.58Å; D529-R752 IonicContact OD2-NH1 2.87Å; D529-R752 PolarHBondContact OD2-NH1 3.35Å; D529-R752 IonicContact OD2-NH2 2.71Å
530	I	81.1	Confident	77.6	Confident	12 Å²	12	74.2 Å²	74.2	6%	0.062	40%	0.396	C	S	.	.			trans	-116.6	106.3	168.5	-65.7	-172.3	0	0	0	108.5	P518 F527 I539 L755 F759	P518-I530 HydrophobicContact CB-CD1 3.96Å; P518-I530 HydrophobicContact CB-CG1 4.44Å; P518-I530 HydrophobicContact CG-CD1 3.55Å; P518-I530 HydrophobicContact CG-CG1 4.48Å; F527-I530 HydrophobicContact CB-CB 4.11Å; I530-I539 HydrophobicContact CD1-CD1 4.22Å; I530-I539 HydrophobicContact CG1-CD1 4.23Å; I530-I539 HydrophobicContact CG2-CD1 4.12Å; I530-I539 HydrophobicContact CG2-CG1 4.32Å; I530-L755 HydrophobicContact CD1-CB 3.98Å; I530-L755 HydrophobicContact CD1-CD1 4.22Å; I530-F759 HydrophobicContact CD1-CD2 4.47Å; I530-F759 HydrophobicContact CD1-CE2 3.98Å
531	L	78.8	Confident	77.6	Confident	82 Å²	82	78.9 Å²	78.9	43%	0.429	41%	0.412	S	S	.	.			trans	-96.3	138.1	163.9	-57.8	-179	0	0	0	108.1	I539 T540 R542	L531-I539 WeakPolarHBondContact O-CA 3.29Å; L531-T540 WeakPolarHBondContact CB-OG1 3.42Å; L531-T540 PolarHBondContact O-N 2.92Å; L531-T540 PolarHBondContact O-OG1 2.93Å; L531-R542 VanDerWaalsContact CD1-NH1 3.26Å
532	L	75.3	Confident	77.8	Confident	65 Å²	65	81.8 Å²	81.8	34%	0.34	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.8	174.4	-160.5	88.9	0	0	0	109.2	T534 K538 A756 P760	L532-T534 PolarHBondContact O-N 3.32Å; L532-K538 WeakPolarHBondContact CA-O 3.46Å; L532-K538 WeakPolarHBondContact CD1-O 3.3Å; L532-A756 HydrophobicContact CD1-CB 4.24Å; L532-P760 HydrophobicContact CD1-CG 4.33Å; L532-P760 HydrophobicContact CD2-CB 4.46Å; L532-P760 HydrophobicContact CD2-CG 3.88Å
533	D	75.8	Confident	78.1	Confident	55 Å²	55	80.4 Å²	80.4	29%	0.294	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	119.2	160	165.2	3.5	0	0	0	108	D535 S536 K537 K538 T540	D533-D535 VanDerWaalsContact C-N 3.26Å; D533-D535 PolarHBondContact O-N 3.17Å; D533-D535 PolarHBondContact OD1-N 3.23Å; D533-S536 VanDerWaalsContact CG-OG 3.29Å; D533-S536 PolarHBondContact OD1-N 2.72Å; D533-S536 VanDerWaalsContact OD1-N 3.12Å; D533-S536 WeakPolarHBondContact OD2-CB 3.45Å; D533-S536 PolarHBondContact OD2-OG 3.28Å; D533-K537 WeakPolarHBondContact O-CA 3.48Å; D533-K537 PolarHBondContact O-N 3.03Å; D533-K538 PolarHBondContact N-O 3.35Å; D533-T540 PolarHBondContact N-OG1 3.16Å
534	T	71.1	Confident	78.5	Confident	106 Å²	106	77.2 Å²	77.2	65%	0.65	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-31.2	-177.6	43.8	0	0	0	0	113.1	L532 K537	L532-T534 PolarHBondContact O-N 3.32Å; T534-K537 WeakPolarHBondContact O-CG 3.49Å
535	D	72.7	Confident	79.1	Confident	142 Å²	142	78.3 Å²	78.3	76%	0.759	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-46.2	-164.1	-61.5	3.8	0	0	0	109.1	D533	D533-D535 VanDerWaalsContact C-N 3.26Å; D533-D535 PolarHBondContact O-N 3.17Å; D533-D535 PolarHBondContact OD1-N 3.23Å
536	S	74.1	Confident	79.9	Confident	47 Å²	47	71.8 Å²	71.8	33%	0.329	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-10.1	173.3	87	0	0	0	0	114.5	D533 K538	D533-S536 VanDerWaalsContact CG-OG 3.29Å; D533-S536 PolarHBondContact OD1-N 2.72Å; D533-S536 VanDerWaalsContact OD1-N 3.12Å; D533-S536 WeakPolarHBondContact OD2-CB 3.45Å; D533-S536 PolarHBondContact OD2-OG 3.28Å; S536-K538 VanDerWaalsContact C-N 3.34Å; S536-K538 WeakPolarHBondContact O-CE 3.42Å; S536-K538 WeakPolarHBondContact O-CG 3.33Å; S536-K538 PolarHBondContact O-N 2.89Å
537	K	68.7	Low	80.8	Confident	142 Å²	142	66.9 Å²	66.9	62%	0.617	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	41.6	-178.8	-59.6	179.2	-177.7	175.4	0	113.5	D533 T534	D533-K537 WeakPolarHBondContact O-CA 3.48Å; D533-K537 PolarHBondContact O-N 3.03Å; T534-K537 WeakPolarHBondContact O-CG 3.49Å
538	K	73.4	Confident	81.5	Confident	111 Å²	111	66 Å²	66	48%	0.483	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	169.8	-177.6	-67.3	160	-161.6	161.6	0	110.2	L532 D533 S536 T540	L532-K538 WeakPolarHBondContact CA-O 3.46Å; L532-K538 WeakPolarHBondContact CD1-O 3.3Å; D533-K538 PolarHBondContact N-O 3.35Å; S536-K538 VanDerWaalsContact C-N 3.34Å; S536-K538 WeakPolarHBondContact O-CE 3.42Å; S536-K538 WeakPolarHBondContact O-CG 3.33Å; S536-K538 PolarHBondContact O-N 2.89Å; K538-T540 PolarHBondContact O-N 2.86Å
539	I	77.9	Confident	82.2	Confident	10 Å²	10	62.6 Å²	62.6	5%	0.051	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	133.1	168.5	-58.7	-162.4	0	0	0	109.3	I530 L531 R541 R752 A756	I530-I539 HydrophobicContact CD1-CD1 4.22Å; I530-I539 HydrophobicContact CG1-CD1 4.23Å; I530-I539 HydrophobicContact CG2-CD1 4.12Å; I530-I539 HydrophobicContact CG2-CG1 4.32Å; L531-I539 WeakPolarHBondContact O-CA 3.29Å; I539-R541 PolarHBondContact O-N 2.87Å; I539-R752 HydrophobicContact CD1-CB 4.01Å; I539-R752 WeakPolarHBondContact CD1-O 3.19Å; I539-A756 HydrophobicContact CD1-CB 4.15Å; I539-A756 HydrophobicContact CG1-CB 3.46Å; I539-A756 VanDerWaalsContact CG1-CB 3.46Å
540	T	80.9	Confident	82.9	Confident	58 Å²	58	61.8 Å²	61.8	36%	0.356	30%	0.299	S	S	.	.			trans	-59.8	101.2	168.5	-43.9	0	0	0	0	109.1	L531 D533 K538 R542	L531-T540 WeakPolarHBondContact CB-OG1 3.42Å; L531-T540 PolarHBondContact O-N 2.92Å; L531-T540 PolarHBondContact O-OG1 2.93Å; D533-T540 PolarHBondContact N-OG1 3.16Å; K538-T540 PolarHBondContact O-N 2.86Å; T540-R542 PolarHBondContact O-N 3.28Å; T540-R542 VanDerWaalsContact O-N 3.13Å
541	R	82.5	Confident	83.7	Confident	121 Å²	121	61.6 Å²	61.6	46%	0.457	30%	0.298	S	S	.	.			trans	-66.4	110.6	-177.6	-77.8	-173.5	178	-169.1	-1.8	110.1	I539 D729 N732	I539-R541 PolarHBondContact O-N 2.87Å; R541-D729 PolarHBondContact NH1-O 3.05Å; R541-D729 IonicContact NH1-OD1 2.71Å; R541-D729 PolarHBondContact NH1-OD1 2.82Å; R541-N732 CarbonylContact C-O 3.47Å; R541-N732 WeakPolarHBondContact CA-O 3.47Å; R541-N732 HydrophobicContact CB-CB 3.9Å; R541-N732 HydrophobicContact CG-CB 4.37Å
542	R	85	Confident	84.6	Confident	66 Å²	66	57.8 Å²	57.8	25%	0.249	28%	0.278	C	S	.	.			trans	-117.9	128.1	-179.2	71.2	-168.7	-167.2	-156.1	9.8	113.2	L531 T540 P544 R625 N732 D736	L531-R542 VanDerWaalsContact CD1-NH1 3.26Å; T540-R542 PolarHBondContact O-N 3.28Å; T540-R542 VanDerWaalsContact O-N 3.13Å; R542-P544 WeakPolarHBondContact O-CD 3.34Å; R542-R625 PolarHBondContact O-NH1 3.18Å; R542-R625 PolarHBondContact O-NH2 3.02Å; R542-N732 PolarHBondContact N-O 3.42Å; R542-N732 PolarHBondContact O-OD1 2.89Å; R542-D736 IonicContact CZ-OD1 3.26Å; R542-D736 IonicContact CZ-OD2 3.85Å; R542-D736 VanDerWaalsContact CZ-OD2 3.26Å; R542-D736 VanDerWaalsContact NE-CG 3.32Å; R542-D736 IonicContact NE-OD1 3.12Å; R542-D736 PolarHBondContact NE-OD1 3.13Å; R542-D736 IonicContact NE-OD2 2.84Å; R542-D736 PolarHBondContact NE-OD2 3.13Å; R542-D736 VanDerWaalsContact NE-OD2 3.08Å; R542-D736 VanDerWaalsContact NH2-CG 3.28Å; R542-D736 IonicContact NH2-OD1 2.75Å; R542-D736 IonicContact NH2-OD2 2.81Å; R542-D736 PolarHBondContact NH2-OD2 2.97Å
543	Q	86	Confident	85.5	Confident	114 Å²	114	58.6 Å²	58.6	53%	0.533	28%	0.28	S	S	.	.			trans	-81.5	117.6	166.3	175.8	168.1	-23.2	0	0	108	N732	Q543-N732 WeakPolarHBondContact CA-OD1 3.4Å
544	P	89	Confident	86.4	Confident	4 Å²	4	59.4 Å²	59.4	3%	0.026	28%	0.281	C	S	.	.			trans	-78	162	178.8	34.8	-38.2	0	0	0	110.2	R542 W546 Q547 R625 N627	R542-P544 WeakPolarHBondContact O-CD 3.34Å; P544-W546 PolarHBondContact O-N 2.99Å; P544-W546 VanDerWaalsContact O-N 3.08Å; P544-Q547 HydrophobicContact CG-CB 4.01Å; P544-R625 HydrophobicContact CG-CB 4.19Å; P544-R625 HydrophobicContact CG-CG 4.14Å; P544-N627 VanDerWaalsContact CA-OD1 3.27Å; P544-N627 WeakPolarHBondContact CA-OD1 3.32Å; P544-N627 HydrophobicContact CB-CB 3.47Å; P544-N627 VanDerWaalsContact CB-CB 3.47Å
545	R	89.1	Confident	87.6	Confident	134 Å²	134	54.4 Å²	54.4	51%	0.506	25%	0.25	S	S	.	.	S	Bend	trans	-47	-40.6	178.2	-71.8	179.7	-179.7	-86.4	5.9	112.7	N627 I670	R545-N627 PolarHBondContact N-OD1 2.88Å; R545-I670 WeakPolarHBondContact O-CD1 3.31Å
546	W	92.4	Very high	88.6	Confident	5 Å²	5	48.5 Å²	48.5	2%	0.019	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	111.2	177.7	-153.1	109.1	0	0	0	110.4	P544 K548 I550 V624 R625 Y626 I635 L663	P544-W546 PolarHBondContact O-N 2.99Å; P544-W546 VanDerWaalsContact O-N 3.08Å; W546-K548 HydrophobicContact CD2-CG 4.42Å; W546-K548 HydrophobicContact CE3-CB 4.29Å; W546-K548 HydrophobicContact CE3-CG 4.13Å; W546-K548 HydrophobicContact CH2-CB 3.63Å; W546-K548 HydrophobicContact CH2-CD 3.97Å; W546-K548 HydrophobicContact CH2-CG 3.81Å; W546-K548 HydrophobicContact CZ2-CB 4.41Å; W546-K548 HydrophobicContact CZ2-CD 3.89Å; W546-K548 HydrophobicContact CZ2-CG 4.11Å; W546-K548 HydrophobicContact CZ3-CB 3.54Å; W546-K548 HydrophobicContact CZ3-CD 4.45Å; W546-K548 HydrophobicContact CZ3-CG 3.79Å; W546-I550 HydrophobicContact CH2-CD1 3.91Å; W546-I550 HydrophobicContact CH2-CG1 4.37Å; W546-I550 HydrophobicContact CZ3-CD1 4.36Å; W546-V624 HydrophobicContact CE3-CG1 4.33Å; W546-V624 HydrophobicContact CZ3-CB 3.85Å; W546-V624 HydrophobicContact CZ3-CG1 3.99Å; W546-R625 CarbonylContact O-C 3.57Å; W546-R625 WeakPolarHBondContact O-CA 3.22Å; W546-Y626 WeakPolarHBondContact CA-O 3.39Å; W546-Y626 HydrophobicContact CB-CD1 4.34Å; W546-Y626 WeakPolarHBondContact CB-O 3.47Å; W546-Y626 PolarHBondContact N-O 2.9Å; W546-Y626 PolarHBondContact O-N 2.81Å; W546-I635 HydrophobicContact CH2-CD1 4.07Å; W546-I635 HydrophobicContact CZ2-CD1 4.4Å; W546-L663 HydrophobicContact CD2-CD2 3.89Å; W546-L663 HydrophobicContact CE3-CD2 4.38Å; W546-L663 HydrophobicContact CG-CB 4.46Å; W546-L663 HydrophobicContact CG-CD2 4.28Å; W546-L663 HydrophobicContact CH2-CD2 4.34Å; W546-L663 HydrophobicContact CZ2-CD2 3.83Å; W546-L663 PolarHBondContact NE1-O 3.36Å
547	Q	95.4	Very high	89.1	Confident	6 Å²	6	50 Å²	50	3%	0.028	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	117.1	169.1	174.1	169.2	-68.6	0	0	110.3	P544 V624 R625 Q722 P723 L731	P544-Q547 HydrophobicContact CG-CB 4.01Å; Q547-V624 WeakPolarHBondContact CA-O 3.48Å; Q547-R625 HydrophobicContact CB-CG 4.46Å; Q547-R625 HydrophobicContact CG-CG 4.2Å; Q547-Q722 PolarHBondContact O-NE2 3.33Å; Q547-P723 HydrophobicContact CG-CG 4.16Å; Q547-L731 HydrophobicContact CG-CD1 4.18Å
548	K	96	Very high	89.8	Confident	14 Å²	14	43.8 Å²	43.8	6%	0.061	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	159.8	175.6	-56.9	-165	171.4	-152.9	0	112.5	W546 F623 V624 I671 N673 F720	W546-K548 HydrophobicContact CD2-CG 4.42Å; W546-K548 HydrophobicContact CE3-CB 4.29Å; W546-K548 HydrophobicContact CE3-CG 4.13Å; W546-K548 HydrophobicContact CH2-CB 3.63Å; W546-K548 HydrophobicContact CH2-CD 3.97Å; W546-K548 HydrophobicContact CH2-CG 3.81Å; W546-K548 HydrophobicContact CZ2-CB 4.41Å; W546-K548 HydrophobicContact CZ2-CD 3.89Å; W546-K548 HydrophobicContact CZ2-CG 4.11Å; W546-K548 HydrophobicContact CZ3-CB 3.54Å; W546-K548 HydrophobicContact CZ3-CD 4.45Å; W546-K548 HydrophobicContact CZ3-CG 3.79Å; K548-F623 WeakPolarHBondContact O-CA 3.4Å; K548-V624 PolarHBondContact N-O 3.18Å; K548-V624 PolarHBondContact O-N 2.81Å; K548-I671 PolarHBondContact NZ-O 3.35Å; K548-N673 WeakPolarHBondContact CD-OD1 3.31Å; K548-N673 WeakPolarHBondContact CE-OD1 3.45Å; K548-N673 PolarHBondContact NZ-OD1 3.14Å; K548-F720 HydrophobicContact CD-CB 4.41Å
549	I	97.8	Very high	89.8	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	132.6	161.4	-56.7	-54.9	0	0	0	108.5	D621 L622 F623 S721 P723 L731 I742	I549-D621 HydrophobicContact CG2-CB 3.71Å; I549-L622 CarbonylContact C-O 3.47Å; I549-L622 VanDerWaalsContact CA-O 3.25Å; I549-L622 WeakPolarHBondContact CA-O 3.1Å; I549-F623 HydrophobicContact CD1-CB 3.97Å; I549-S721 PolarHBondContact N-O 2.99Å; I549-S721 PolarHBondContact O-N 3.39Å; I549-P723 HydrophobicContact CD1-CB 4.1Å; I549-P723 HydrophobicContact CG1-CB 3.92Å; I549-L731 HydrophobicContact CD1-CD1 4.38Å; I549-I742 HydrophobicContact CD1-CB 4.31Å; I549-I742 HydrophobicContact CD1-CD1 3.65Å; I549-I742 HydrophobicContact CD1-CG1 3.85Å
550	I	97.4	Very high	89.6	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134	-179.4	-48.7	-168.5	0	0	0	108.5	W546 L622 V624 I635 V718 R719 F720	W546-I550 HydrophobicContact CH2-CD1 3.91Å; W546-I550 HydrophobicContact CH2-CG1 4.37Å; W546-I550 HydrophobicContact CZ3-CD1 4.36Å; I550-L622 PolarHBondContact N-O 3.33Å; I550-L622 PolarHBondContact O-N 2.84Å; I550-V624 HydrophobicContact CD1-CB 3.94Å; I550-V624 HydrophobicContact CD1-CG2 3.45Å; I550-V624 VanDerWaalsContact CD1-CG2 3.45Å; I550-V624 HydrophobicContact CG1-CG2 4.12Å; I550-I635 HydrophobicContact CD1-CD1 3.43Å; I550-I635 VanDerWaalsContact CD1-CD1 3.43Å; I550-I635 HydrophobicContact CD1-CG1 4.47Å; I550-V718 HydrophobicContact CG2-CG1 3.41Å; I550-V718 VanDerWaalsContact CG2-CG1 3.41Å; I550-R719 CarbonylContact C-O 3.54Å; I550-R719 WeakPolarHBondContact CA-O 3.19Å; I550-F720 HydrophobicContact CD1-CD1 4.33Å; I550-F720 HydrophobicContact CD1-CE1 4.25Å; I550-F720 HydrophobicContact CG1-CD1 4.15Å; I550-F720 HydrophobicContact CG1-CE1 4.47Å; I550-F720 HydrophobicContact CG2-CD1 4.24Å; I550-F720 HydrophobicContact CG2-CE1 4.05Å
551	S	97.6	Very high	88.9	Confident	7 Å²	7	41.9 Å²	41.9	5%	0.049	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	110.8	-176.6	-168.3	0	0	0	0	109.6	Q553 D621 V718 R719	S551-Q553 VanDerWaalsContact C-N 3.33Å; S551-Q553 WeakPolarHBondContact O-CG 3.44Å; S551-Q553 PolarHBondContact O-N 3.02Å; S551-D621 WeakPolarHBondContact CB-OD1 3.35Å; S551-D621 PolarHBondContact OG-OD1 2.88Å; S551-V718 WeakPolarHBondContact O-CA 3.4Å; S551-R719 VanDerWaalsContact CB-CZ 3.46Å; S551-R719 PolarHBondContact N-O 3.06Å; S551-R719 PolarHBondContact O-N 2.71Å; S551-R719 PolarHBondContact OG-NH2 2.65Å
552	I	97.8	Very high	88	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.015	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	88.7	174.7	-56.1	175.8	0	0	0	106.6	K554 I555 V573 V604 I637 V716 T717 V718	I552-K554 VanDerWaalsContact C-N 3.34Å; I552-K554 PolarHBondContact O-N 2.87Å; I552-I555 HydrophobicContact CG2-CG1 4.29Å; I552-V573 HydrophobicContact CD1-CG1 4Å; I552-V604 HydrophobicContact CB-CG2 3.75Å; I552-V604 HydrophobicContact CD1-CG2 4.11Å; I552-V604 HydrophobicContact CG1-CG2 4.47Å; I552-V604 HydrophobicContact CG2-CG2 3.91Å; I552-I637 HydrophobicContact CD1-CD1 4.08Å; I552-I637 HydrophobicContact CD1-CG2 4.1Å; I552-I637 HydrophobicContact CG1-CD1 4.45Å; I552-V716 HydrophobicContact CG2-CG1 3.95Å; I552-T717 CarbonylContact C-O 3.58Å; I552-V718 HydrophobicContact CG1-CG2 4.49Å
553	Q	95.3	Very high	86.7	Confident	81 Å²	81	48.8 Å²	48.8	38%	0.379	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-34.2	-166.9	-55.1	-161.4	-92.5	0	0	112.6	S551 T675 T717 R719	S551-Q553 VanDerWaalsContact C-N 3.33Å; S551-Q553 WeakPolarHBondContact O-CG 3.44Å; S551-Q553 PolarHBondContact O-N 3.02Å; Q553-T675 VanDerWaalsContact OE1-CG2 3.24Å; Q553-T675 PolarHBondContact OE1-OG1 3.33Å; Q553-T717 HydrophobicContact CB-CG2 4.08Å; Q553-T717 HydrophobicContact CG-CG2 4.4Å; Q553-T717 PolarHBondContact N-O 2.76Å; Q553-R719 HydrophobicContact CG-CB 3.82Å
554	K	95.1	Very high	85.5	Confident	73 Å²	73	44.5 Å²	44.5	32%	0.317	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	156.2	175.7	56.7	176.9	-168.5	166.8	0	111.3	I552 T556 T601 W602 T717	I552-K554 VanDerWaalsContact C-N 3.34Å; I552-K554 PolarHBondContact O-N 2.87Å; K554-T556 HydrophobicContact CD-CG2 3.75Å; K554-T556 HydrophobicContact CG-CG2 4.27Å; K554-T601 HydrophobicContact CB-CG2 3.9Å; K554-T601 HydrophobicContact CD-CG2 4.4Å; K554-W602 CarbonylContact C-O 3.53Å; K554-W602 VanDerWaalsContact CA-O 3.28Å; K554-W602 WeakPolarHBondContact CA-O 3.26Å; K554-T717 WeakPolarHBondContact CE-OG1 3.25Å; K554-T717 HydrophobicContact CG-CG2 4.46Å; K554-T717 WeakPolarHBondContact CG-OG1 3.48Å; K554-T717 PolarHBondContact O-N 3.29Å
555	I	95.4	Very high	84.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120.8	164.4	-56.2	153.3	0	0	0	106.4	I552 L558 V573 I592 T601 W602 I639 T714 Q715 V716	I552-I555 HydrophobicContact CG2-CG1 4.29Å; I555-L558 HydrophobicContact CG2-CB 4.19Å; I555-L558 HydrophobicContact CG2-CD1 4.39Å; I555-L558 HydrophobicContact CG2-CD2 4.4Å; I555-V573 HydrophobicContact CD1-CG2 4.15Å; I555-I592 HydrophobicContact CD1-CD1 3.98Å; I555-I592 HydrophobicContact CD1-CG2 3.94Å; I555-T601 WeakPolarHBondContact O-CA 2.93Å; I555-W602 HydrophobicContact CB-CB 4.28Å; I555-W602 PolarHBondContact N-O 3.24Å; I555-W602 PolarHBondContact O-N 3.12Å; I555-I639 HydrophobicContact CD1-CD1 3.78Å; I555-I639 HydrophobicContact CG1-CD1 4.37Å; I555-T714 HydrophobicContact CG2-CG2 3.77Å; I555-Q715 CarbonylContact C-O 3.47Å; I555-Q715 VanDerWaalsContact CA-O 3.32Å; I555-Q715 WeakPolarHBondContact CA-O 3.49Å; I555-V716 HydrophobicContact CG1-CG1 4.15Å; I555-V716 HydrophobicContact CG1-CG2 4.29Å; I555-V716 HydrophobicContact CG2-CG2 4.26Å
556	T	92.7	Very high	84.1	Confident	19 Å²	19	44.9 Å²	44.9	12%	0.117	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	149.2	-176.1	52.3	0	0	0	0	112.3	K554 L558 K600 T601 T714 Q715	K554-T556 HydrophobicContact CD-CG2 3.75Å; K554-T556 HydrophobicContact CG-CG2 4.27Å; T556-L558 VanDerWaalsContact C-N 3.27Å; T556-L558 PolarHBondContact O-N 3.37Å; T556-K600 CarbonylContact C-O 3.58Å; T556-K600 VanDerWaalsContact CA-O 3.29Å; T556-K600 WeakPolarHBondContact CA-O 3.49Å; T556-T601 HydrophobicContact CG2-CG2 3.98Å; T556-T714 WeakPolarHBondContact O-CA 3.41Å; T556-Q715 PolarHBondContact N-O 2.97Å; T556-Q715 PolarHBondContact O-N 2.88Å
557	Q	84.9	Confident	83.7	Confident	79 Å²	79	47.2 Å²	47.2	37%	0.369	25%	0.247	S	C	.	.	S	Bend	trans	63.8	30.7	179.9	-53.3	162.2	-80.9	0	0	112.9	S559 K600 N711 T714	Q557-S559 PolarHBondContact O-N 3.01Å; Q557-K600 PolarHBondContact N-O 3.37Å; Q557-N711 PolarHBondContact NE2-O 2.81Å; Q557-T714 PolarHBondContact O-OG1 3.36Å
558	L	83.2	Confident	83.2	Confident	10 Å²	10	49.8 Å²	49.8	5%	0.052	26%	0.26	C	S	.	.			trans	-73.6	94	177	-174.5	67	0	0	0	110.4	I555 T556 I560 I592 W602 I639 L656 T714	I555-L558 HydrophobicContact CG2-CB 4.19Å; I555-L558 HydrophobicContact CG2-CD1 4.39Å; I555-L558 HydrophobicContact CG2-CD2 4.4Å; T556-L558 VanDerWaalsContact C-N 3.27Å; T556-L558 PolarHBondContact O-N 3.37Å; L558-I560 HydrophobicContact CD2-CD1 3.99Å; L558-I560 HydrophobicContact CD2-CG1 4.17Å; L558-I560 HydrophobicContact CG-CD1 4.35Å; L558-I560 HydrophobicContact CG-CG1 3.97Å; L558-I560 PolarHBondContact O-N 2.9Å; L558-I560 VanDerWaalsContact O-N 3.11Å; L558-I592 HydrophobicContact CD2-CD1 3.89Å; L558-W602 HydrophobicContact CD2-CD2 4.08Å; L558-W602 HydrophobicContact CD2-CG 4Å; L558-I639 HydrophobicContact CD1-CG2 3.96Å; L558-I639 HydrophobicContact CD2-CG2 4.31Å; L558-L656 HydrophobicContact CD1-CD1 3.83Å; L558-L656 HydrophobicContact CG-CD1 4.3Å; L558-T714 HydrophobicContact CB-CG2 4.1Å; L558-T714 HydrophobicContact CD1-CG2 3.81Å
559	S	74.4	Confident	82.7	Confident	98 Å²	98	52.6 Å²	52.6	69%	0.685	28%	0.275	S	S	*	.			trans	-67.3	104.3	172.9	-62.4	0	0	0	0	110.7	Q557	Q557-S559 PolarHBondContact O-N 3.01Å
560	I	73.1	Confident	82.2	Confident	25 Å²	25	53.1 Å²	53.1	13%	0.128	28%	0.278	C	S	.	.			trans	-93.3	158.9	174.6	-65.1	-159.6	0	0	0	110.1	L558 E562 I568 W602 L656	L558-I560 HydrophobicContact CD2-CD1 3.99Å; L558-I560 HydrophobicContact CD2-CG1 4.17Å; L558-I560 HydrophobicContact CG-CD1 4.35Å; L558-I560 HydrophobicContact CG-CG1 3.97Å; L558-I560 PolarHBondContact O-N 2.9Å; L558-I560 VanDerWaalsContact O-N 3.11Å; I560-E562 VanDerWaalsContact C-N 3.25Å; I560-E562 PolarHBondContact O-N 2.9Å; I560-I568 HydrophobicContact CG2-CD1 3.31Å; I560-W602 HydrophobicContact CD1-CH2 3.49Å; I560-W602 VanDerWaalsContact CD1-CH2 3.49Å; I560-W602 HydrophobicContact CD1-CZ2 3.31Å; I560-W602 HydrophobicContact CD1-CZ3 4.21Å; I560-W602 HydrophobicContact CG1-CZ2 4.25Å; I560-L656 HydrophobicContact CG1-CD1 4.32Å
561	L	67.5	Low	82	Confident	17 Å²	17	53.8 Å²	53.8	9%	0.089	28%	0.283	C	S	.	.			trans	-71.4	62.5	-173.9	-53.6	-179.1	0	0	0	114.3	L493 P494 V497 E563 S564 L566 I568 I641	L493-L561 HydrophobicContact CD2-CD1 3.56Å; P494-L561 HydrophobicContact CG-CD2 3.57Å; V497-L561 HydrophobicContact CG2-CD2 4.44Å; L561-E563 VanDerWaalsContact C-N 3.3Å; L561-E563 PolarHBondContact O-N 3.25Å; L561-S564 WeakPolarHBondContact CB-OG 3.43Å; L561-S564 PolarHBondContact O-N 2.88Å; L561-S564 PolarHBondContact O-OG 3.04Å; L561-S564 VanDerWaalsContact O-OG 3.09Å; L561-L566 HydrophobicContact CD1-CD1 4.19Å; L561-I568 HydrophobicContact CB-CD1 4.44Å; L561-I641 HydrophobicContact CD1-CD1 3.61Å; L561-I641 HydrophobicContact CG-CD1 3.94Å
562	E	62.5	Low	81.8	Confident	135 Å²	135	53.5 Å²	53.5	63%	0.631	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-21	-176.3	-53.5	-152.4	121.7	0	0	114.4	I560 K599	I560-E562 VanDerWaalsContact C-N 3.25Å; I560-E562 PolarHBondContact O-N 2.9Å; E562-K599 WeakPolarHBondContact OE1-CD 3.33Å; E562-K599 WeakPolarHBondContact OE1-CE 3.4Å; E562-K599 IonicContact OE1-NZ 3.08Å; E562-K599 PolarHBondContact OE1-NZ 3.01Å
563	E	57.3	Low	81.7	Confident	197 Å²	197	53.4 Å²	53.4	92%	0.921	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	7.5	-178.4	-60.4	-175.9	164.1	0	0	113.7	L561	L561-E563 VanDerWaalsContact C-N 3.3Å; L561-E563 PolarHBondContact O-N 3.25Å
564	S	62.3	Low	81.8	Confident	24 Å²	24	50.8 Å²	50.8	17%	0.168	27%	0.267	C	S	.	.	S	Bend	trans	-93	153.2	-177.5	74.7	0	0	0	0	112.9	L561 L566	L561-S564 WeakPolarHBondContact CB-OG 3.43Å; L561-S564 PolarHBondContact O-N 2.88Å; L561-S564 PolarHBondContact O-OG 3.04Å; L561-S564 VanDerWaalsContact O-OG 3.09Å; S564-L566 PolarHBondContact O-N 3.22Å
565	N	70.2	Confident	81.9	Confident	128 Å²	128	47.4 Å²	47.4	68%	0.684	25%	0.252	S	S	*	.	S	Bend	trans	-72.7	16	173.9	-65.6	-36.2	0	0	0	113.6
566	L	77.8	Confident	82	Confident	17 Å²	17	47.4 Å²	47.4	9%	0.089	25%	0.252	C	S	.	.			trans	-103.5	131	-169.6	-53.8	-178.9	0	0	0	111.3	Y490 L493 L561 S564 I568 V643 N645	Y490-L566 HydrophobicContact CD1-CD1 4.34Å; Y490-L566 HydrophobicContact CD1-CD2 3.84Å; Y490-L566 HydrophobicContact CG-CD2 4.44Å; L493-L566 HydrophobicContact CD2-CD1 3.75Å; L561-L566 HydrophobicContact CD1-CD1 4.19Å; S564-L566 PolarHBondContact O-N 3.22Å; L566-I568 PolarHBondContact O-N 2.84Å; L566-V643 HydrophobicContact CB-CB 4.33Å; L566-V643 HydrophobicContact CD1-CB 4.43Å; L566-V643 HydrophobicContact CD1-CG2 4.15Å; L566-N645 HydrophobicContact CD2-CB 4.07Å
567	S	83.7	Confident	82.2	Confident	54 Å²	54	46.5 Å²	46.5	38%	0.378	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	109.9	168.6	41.4	0	0	0	0	109.9	L569 V643 S644	S567-L569 PolarHBondContact O-N 2.79Å; S567-V643 WeakPolarHBondContact O-CA 2.97Å; S567-S644 PolarHBondContact N-O 2.82Å; S567-S644 PolarHBondContact O-N 2.81Å; S567-S644 PolarHBondContact OG-O 2.93Å; S567-S644 VanDerWaalsContact OG-O 3.13Å; S567-S644 PolarHBondContact OG-OG 2.63Å
568	I	85.6	Confident	82.7	Confident	60 Å²	60	42.8 Å²	42.8	31%	0.308	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	113.9	173.2	-56.6	165.9	0	0	0	108.4	I560 L561 L566 I641 V643	I560-I568 HydrophobicContact CG2-CD1 3.31Å; L561-I568 HydrophobicContact CB-CD1 4.44Å; L566-I568 PolarHBondContact O-N 2.84Å; I568-I641 HydrophobicContact CG2-CB 4.48Å; I568-V643 HydrophobicContact CG1-CG1 4Å
569	L	85.5	Confident	82.9	Confident	73 Å²	73	45 Å²	45	38%	0.382	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-27	-176.2	-56.5	-177.5	0	0	0	113	S567 V642 P651	S567-L569 PolarHBondContact O-N 2.79Å; L569-V642 PolarHBondContact N-O 3.3Å; L569-P651 HydrophobicContact CD1-CB 3.76Å
570	N	87.2	Confident	83.4	Confident	14 Å²	14	41.6 Å²	41.6	8%	0.075	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	148	-175.8	-147.6	24.9	0	0	0	110	L572 I641 V642 L847	N570-L572 WeakPolarHBondContact ND2-CD2 3.27Å; N570-I641 WeakPolarHBondContact O-CA 3.14Å; N570-V642 HydrophobicContact CB-CB 3.75Å; N570-V642 HydrophobicContact CB-CG2 3.75Å; N570-V642 PolarHBondContact N-O 2.82Å; N570-V642 PolarHBondContact O-N 3.3Å; N570-L847 PolarHBondContact OD1-N 2.87Å
571	C	92.4	Very high	83.9	Confident	16 Å²	16	42.6 Å²	42.6	11%	0.108	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130	167.1	-61.7	0	0	0	0	107	P591 I592 W602 I641	C571-P591 WeakPolarHBondContact O-CA 3.22Å; C571-I592 HydrophobicContact CB-CD1 4.19Å; C571-I592 HydrophobicContact CB-CG1 3.69Å; C571-I592 PolarHBondContact O-N 3.31Å; C571-W602 HydrophobicContact CB-CE3 4.39Å; C571-W602 HydrophobicContact CB-CH2 4.44Å; C571-W602 HydrophobicContact CB-CZ3 3.75Å; C571-I641 HydrophobicContact CB-CG2 4.5Å
572	L	94.3	Very high	84.8	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	165.8	-171.3	66.6	94.7	0	0	0	113.5	N570 R574 Y589 L590 Q640 V642	N570-L572 WeakPolarHBondContact ND2-CD2 3.27Å; L572-R574 HydrophobicContact CD1-CG 3.73Å; L572-Y589 HydrophobicContact CD1-CD2 4.43Å; L572-Y589 HydrophobicContact CD2-CD2 4.48Å; L572-L590 CarbonylContact C-O 3.6Å; L572-L590 WeakPolarHBondContact CA-O 3.43Å; L572-L590 WeakPolarHBondContact CB-O 3.39Å; L572-Q640 HydrophobicContact CD1-CB 3.86Å; L572-Q640 HydrophobicContact CD1-CG 4.38Å; L572-Q640 HydrophobicContact CG-CB 4.1Å; L572-Q640 PolarHBondContact N-O 2.8Å; L572-Q640 PolarHBondContact O-N 2.82Å; L572-Q640 VanDerWaalsContact O-O 3.13Å; L572-V642 HydrophobicContact CD2-CG2 3.61Å
573	V	95.7	Very high	86.3	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.1	170.9	173.4	0	0	0	0	107.9	I552 I555 L575 Y589 L590 I592 V604 I637 E638 I639	I552-V573 HydrophobicContact CD1-CG1 4Å; I555-V573 HydrophobicContact CD1-CG2 4.15Å; V573-L575 HydrophobicContact CG1-CD2 4.29Å; V573-Y589 CarbonylContact O-C 3.46Å; V573-Y589 VanDerWaalsContact O-CA 3.22Å; V573-Y589 WeakPolarHBondContact O-CA 3.48Å; V573-L590 PolarHBondContact N-O 2.96Å; V573-L590 PolarHBondContact O-N 2.84Å; V573-I592 HydrophobicContact CG2-CG2 3.62Å; V573-V604 HydrophobicContact CG2-CG2 4.3Å; V573-I637 HydrophobicContact CG1-CG2 3.46Å; V573-I637 VanDerWaalsContact CG1-CG2 3.46Å; V573-E638 WeakPolarHBondContact CA-O 3.27Å; V573-I639 HydrophobicContact CG2-CD1 3.75Å
574	R	96.3	Very high	88	Confident	27 Å²	27	28.5 Å²	28.5	10%	0.102	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	142	159.8	-64.6	-169.5	-173.6	-125.7	-9.9	109.3	L502 L572 I587 C588 I637 E638 Q640 E653	L502-R574 HydrophobicContact CB-CB 3.79Å; L502-R574 HydrophobicContact CB-CG 4.35Å; L502-R574 HydrophobicContact CD1-CB 3.83Å; L502-R574 HydrophobicContact CG-CB 4.48Å; L502-R574 WeakPolarHBondContact O-CD 3.27Å; L502-R574 PolarHBondContact O-NH1 3.47Å; L572-R574 HydrophobicContact CD1-CG 3.73Å; R574-I587 HydrophobicContact CB-CG2 4Å; R574-I587 HydrophobicContact CG-CG2 4.39Å; R574-C588 CarbonylContact C-O 3.6Å; R574-C588 WeakPolarHBondContact CA-O 3.11Å; R574-I637 WeakPolarHBondContact O-CA 3.41Å; R574-E638 PolarHBondContact N-O 2.88Å; R574-E638 PolarHBondContact O-N 3.14Å; R574-Q640 VanDerWaalsContact CD-NE2 3.35Å; R574-Q640 VanDerWaalsContact CD-OE1 3.29Å; R574-Q640 VanDerWaalsContact NE-OE1 3.09Å; R574-E653 IonicContact CZ-OE2 2.82Å; R574-E653 VanDerWaalsContact CZ-OE2 3.26Å; R574-E653 IonicContact NE-OE2 2.68Å; R574-E653 PolarHBondContact NE-OE2 2.87Å; R574-E653 VanDerWaalsContact NE-OE2 3.12Å; R574-E653 IonicContact NH2-OE1 3.81Å; R574-E653 PolarHBondContact NH2-OE1 2.82Å; R574-E653 IonicContact NH2-OE2 3.34Å; R574-E653 PolarHBondContact NH2-OE2 3.04Å
575	L	97.4	Very high	89.7	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	146.7	174	68.9	150.7	0	0	0	113.3	V573 I587 C588 L622 I635 L636 I637 I739	V573-L575 HydrophobicContact CG1-CD2 4.29Å; L575-I587 CarbonylContact O-C 3.47Å; L575-I587 WeakPolarHBondContact O-CA 3.45Å; L575-C588 HydrophobicContact CD2-CB 4.04Å; L575-C588 HydrophobicContact CG-CB 4.24Å; L575-C588 PolarHBondContact N-O 2.91Å; L575-C588 PolarHBondContact O-N 2.89Å; L575-L622 HydrophobicContact CD1-CD1 3.88Å; L575-L622 HydrophobicContact CD1-CD2 4.38Å; L575-L622 HydrophobicContact CD2-CD1 4Å; L575-L622 HydrophobicContact CD2-CD2 4.24Å; L575-I635 HydrophobicContact CD1-CG2 4.42Å; L575-L636 WeakPolarHBondContact CA-O 2.97Å; L575-L636 WeakPolarHBondContact CB-O 3.4Å; L575-I637 HydrophobicContact CB-CB 4.45Å; L575-I637 HydrophobicContact CB-CG1 3.97Å; L575-I739 HydrophobicContact CD1-CD1 4.27Å; L575-I739 HydrophobicContact CD1-CG2 3.9Å; L575-I739 HydrophobicContact CG-CG2 4.24Å
576	C	97.7	Very high	90.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	163.2	175.1	62.6	0	0	0	0	110.8	P583 I587 I635 L636	C576-P583 HydrophobicContact CB-CB 4.11Å; C576-I587 HydrophobicContact CB-CG1 4.03Å; C576-I635 CarbonylContact O-C 3.56Å; C576-I635 WeakPolarHBondContact O-CA 3.41Å; C576-L636 PolarHBondContact N-O 2.83Å; C576-L636 PolarHBondContact O-N 2.91Å
577	L	97.4	Very high	91.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	136.9	156	-69.7	168.7	0	0	0	108.4	P583 I584 S585 V624 R625 Y626 I633 C634 I635 L663 I737 I739	L577-P583 CarbonylContact O-C 3.49Å; L577-P583 WeakPolarHBondContact O-CA 3.46Å; L577-I584 HydrophobicContact CB-CD1 4.16Å; L577-I584 HydrophobicContact CB-CG1 3.57Å; L577-I584 PolarHBondContact O-N 2.81Å; L577-S585 PolarHBondContact N-OG 2.96Å; L577-V624 HydrophobicContact CD1-CG1 4.17Å; L577-V624 HydrophobicContact CD2-CG1 3.88Å; L577-V624 HydrophobicContact CG-CG1 4.1Å; L577-R625 WeakPolarHBondContact CD1-O 3.35Å; L577-Y626 HydrophobicContact CD1-CD2 4.21Å; L577-Y626 HydrophobicContact CD1-CG 4.39Å; L577-I633 HydrophobicContact CB-CG2 4.37Å; L577-I633 HydrophobicContact CD2-CG2 4.13Å; L577-C634 CarbonylContact C-O 3.56Å; L577-C634 WeakPolarHBondContact CA-O 3.48Å; L577-I635 HydrophobicContact CD2-CG1 3.77Å; L577-L663 HydrophobicContact CD2-CD1 4.04Å; L577-L663 HydrophobicContact CD2-CD2 3.99Å; L577-L663 HydrophobicContact CD2-CG 4.42Å; L577-I737 HydrophobicContact CD1-CG2 3.93Å; L577-I739 HydrophobicContact CG-CD1 4.28Å
578	F	94.4	Very high	92.4	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	134.6	-167.8	-176.6	-113.6	0	0	0	109.8	F501 G580 M582 C634 L636 P685	F501-F578 HydrophobicContact CE1-CD2 4.28Å; F501-F578 AromaticContact CE1-CE2 3.59Å; F501-F578 HydrophobicContact CE1-CE2 3.59Å; F501-F578 HydrophobicContact CE1-CZ 4.28Å; F501-F578 AromaticContact CZ-CE2 3.94Å; F501-F578 HydrophobicContact CZ-CE2 3.94Å; F578-G580 VanDerWaalsContact CE1-C 3.41Å; F578-M582 WeakPolarHBondContact CA-O 3.2Å; F578-M582 WeakPolarHBondContact CD2-O 3.36Å; F578-C634 PolarHBondContact N-O 2.84Å; F578-C634 PolarHBondContact O-N 2.78Å; F578-C634 PolarHBondContact O-SG 2.84Å; F578-C634 VanDerWaalsContact O-SG 3.41Å; F578-L636 HydrophobicContact CB-CB 3.62Å; F578-L636 HydrophobicContact CB-CD2 4.42Å; F578-L636 HydrophobicContact CD1-CB 4.14Å; F578-L636 HydrophobicContact CD1-CD2 4.06Å; F578-L636 HydrophobicContact CD2-CD2 3.88Å; F578-L636 HydrophobicContact CE1-CD2 4.25Å; F578-L636 HydrophobicContact CE2-CD2 4.12Å; F578-L636 HydrophobicContact CG-CB 3.91Å; F578-L636 HydrophobicContact CG-CD2 3.88Å; F578-L636 HydrophobicContact CZ-CD2 4.29Å; F578-P685 HydrophobicContact CE1-CB 4.23Å; F578-P685 HydrophobicContact CZ-CB 4.26Å
579	D	89	Confident	92.9	Very high	57 Å²	57	18 Å²	18	31%	0.305	10%	0.099	S	C	.	.			trans	-93.8	6.5	-176.9	68.1	4.2	0	0	0	114.4	I581 M582 I584 I633	D579-I581 WeakPolarHBondContact OD1-CA 3.37Å; D579-I581 WeakPolarHBondContact OD1-CB 3.5Å; D579-I581 PolarHBondContact OD1-N 3.11Å; D579-M582 PolarHBondContact N-O 2.8Å; D579-M582 VanDerWaalsContact N-O 3.15Å; D579-M582 PolarHBondContact OD1-N 3.06Å; D579-I584 HydrophobicContact CB-CG2 4.04Å; D579-I633 HydrophobicContact CB-CD1 3.42Å; D579-I633 VanDerWaalsContact CB-CD1 3.42Å
580	G	84.1	Confident	93.3	Very high	27 Å²	27	15 Å²	15	28%	0.278	8%	0.083	S	C	.	.	S	Bend	trans	96.1	-12.7	-170.8	0	0	0	0	0	113.7	F578 F686	F578-G580 VanDerWaalsContact CE1-C 3.41Å; G580-F686 WeakPolarHBondContact O-CB 3.42Å
581	I	83.1	Confident	93.7	Very high	46 Å²	46	14.3 Å²	14.3	24%	0.236	8%	0.079	C	C	.	.	S	Bend	trans	-129.5	-46.1	-172.8	-59.6	179.7	0	0	0	111.2	W470 A473 D579	W470-I581 HydrophobicContact CE3-CD1 4.47Å; W470-I581 HydrophobicContact CH2-CD1 3.45Å; W470-I581 VanDerWaalsContact CH2-CD1 3.45Å; W470-I581 HydrophobicContact CZ2-CD1 3.79Å; W470-I581 HydrophobicContact CZ3-CD1 3.82Å; A473-I581 HydrophobicContact CB-CG2 3.36Å; D579-I581 WeakPolarHBondContact OD1-CA 3.37Å; D579-I581 WeakPolarHBondContact OD1-CB 3.5Å; D579-I581 PolarHBondContact OD1-N 3.11Å
582	M	87.2	Confident	93.8	Very high	9 Å²	9	13.9 Å²	13.9	4%	0.044	8%	0.076	C	C	.	.	S	Bend	trans	-140.3	156.5	-177.6	-76.3	-69.2	-77.6	0	0	112.7	M472 A473 M476 L507 Y510 F578 D579	M472-M582 HydrophobicContact CG-CE 4.14Å; M472-M582 HydrophobicContact SD-CE 3.78Å; A473-M582 HydrophobicContact CB-CG 3.5Å; A473-M582 HydrophobicContact CB-SD 3.71Å; M476-M582 HydrophobicContact CE-CE 4.19Å; M476-M582 HydrophobicContact SD-CE 3.7Å; M476-M582 HydrophobicContact SD-SD 3.59Å; L507-M582 HydrophobicContact CD2-CE 3.62Å; L507-M582 HydrophobicContact CD2-SD 4.27Å; Y510-M582 HydrophobicContact CE2-CE 4.16Å; Y510-M582 WeakPolarHBondContact OH-CE 3.38Å; F578-M582 WeakPolarHBondContact CA-O 3.2Å; F578-M582 WeakPolarHBondContact CD2-O 3.36Å; D579-M582 PolarHBondContact N-O 2.8Å; D579-M582 VanDerWaalsContact N-O 3.15Å; D579-M582 PolarHBondContact OD1-N 3.06Å
583	P	93.2	Very high	93.7	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.013	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-60.3	142.3	162.2	-22	35.1	0	0	0	111.4	L502 L507 Y510 C576 L577 I587	L502-P583 HydrophobicContact CD2-CG 3.88Å; L507-P583 HydrophobicContact CD1-CG 4.03Å; L507-P583 HydrophobicContact CD2-CG 3.93Å; Y510-P583 HydrophobicContact CD1-CB 3.97Å; Y510-P583 HydrophobicContact CE1-CB 4.18Å; Y510-P583 WeakPolarHBondContact CE1-O 3.25Å; Y510-P583 HydrophobicContact CG-CB 4.43Å; C576-P583 HydrophobicContact CB-CB 4.11Å; L577-P583 CarbonylContact O-C 3.49Å; L577-P583 WeakPolarHBondContact O-CA 3.46Å; P583-I587 HydrophobicContact CB-CG1 4.35Å; P583-I587 HydrophobicContact CG-CD1 4.19Å; P583-I587 HydrophobicContact CG-CG1 4.43Å
584	I	93.7	Very high	93.5	Very high	41 Å²	41	18.1 Å²	18.1	21%	0.21	10%	0.103	C	C	.	.			trans	-117.8	-10.9	173.8	69.3	161.9	0	0	0	113.4	F515 L577 D579 Y626 I633 I737	F515-I584 WeakPolarHBondContact CE1-O 3.46Å; F515-I584 VanDerWaalsContact CZ-O 3.27Å; F515-I584 WeakPolarHBondContact CZ-O 3.38Å; L577-I584 HydrophobicContact CB-CD1 4.16Å; L577-I584 HydrophobicContact CB-CG1 3.57Å; L577-I584 PolarHBondContact O-N 2.81Å; D579-I584 HydrophobicContact CB-CG2 4.04Å; I584-Y626 HydrophobicContact CD1-CD2 4.15Å; I584-Y626 HydrophobicContact CD1-CE2 3.83Å; I584-I633 HydrophobicContact CD1-CD1 3.84Å; I584-I633 HydrophobicContact CD1-CG1 4.01Å; I584-I633 HydrophobicContact CD1-CG2 3.78Å; I584-I737 WeakPolarHBondContact O-CG2 3.42Å
585	S	96.8	Very high	93.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-109.4	178.1	170.4	70.4	0	0	0	0	111.5	Y510 L577	Y510-S585 WeakPolarHBondContact CD1-O 3.48Å; L577-S585 PolarHBondContact N-OG 2.96Å
586	N	97.2	Very high	92.8	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.133	C	C	.	.			trans	-57.4	146.4	157.7	64.3	-48.6	0	0	0	110.6	Y510 Y512 F515 L738 I739	Y510-N586 CarbonylContact O-C 3.52Å; Y510-N586 WeakPolarHBondContact O-CA 3.22Å; Y512-N586 WeakPolarHBondContact CE1-ND2 3.24Å; F515-N586 HydrophobicContact CB-CB 4.13Å; F515-N586 HydrophobicContact CD2-CB 3.79Å; F515-N586 VanDerWaalsContact CD2-N 3.28Å; F515-N586 HydrophobicContact CG-CB 4.07Å; N586-L738 WeakPolarHBondContact OD1-CD1 3.21Å; N586-I739 PolarHBondContact ND2-O 3.23Å; N586-I739 PolarHBondContact OD1-N 2.89Å; N586-I739 PolarHBondContact OD1-O 3.05Å
587	I	97.4	Very high	92	Very high	24 Å²	24	34.8 Å²	34.8	12%	0.123	18%	0.178	C	C	.	.			trans	-87.1	111.4	170.9	-59.2	169.7	0	0	0	106.7	L502 L507 Y510 R574 L575 C576 P583	L502-I587 HydrophobicContact CB-CD1 4.45Å; L502-I587 HydrophobicContact CB-CG2 4.22Å; L502-I587 HydrophobicContact CD2-CD1 4.09Å; L502-I587 HydrophobicContact CD2-CG1 4.42Å; L507-I587 HydrophobicContact CB-CD1 3.93Å; L507-I587 HydrophobicContact CD1-CD1 4.26Å; Y510-I587 PolarHBondContact O-N 3.18Å; R574-I587 HydrophobicContact CB-CG2 4Å; R574-I587 HydrophobicContact CG-CG2 4.39Å; L575-I587 CarbonylContact O-C 3.47Å; L575-I587 WeakPolarHBondContact O-CA 3.45Å; C576-I587 HydrophobicContact CB-CG1 4.03Å; P583-I587 HydrophobicContact CB-CG1 4.35Å; P583-I587 HydrophobicContact CG-CD1 4.19Å; P583-I587 HydrophobicContact CG-CG1 4.43Å
588	C	95.4	Very high	91.3	Very high	9 Å²	9	41.1 Å²	41.1	6%	0.061	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	139.3	170.7	-171.2	0	0	0	0	108.9	R574 L575 L622 I739	R574-C588 CarbonylContact C-O 3.6Å; R574-C588 WeakPolarHBondContact CA-O 3.11Å; L575-C588 HydrophobicContact CD2-CB 4.04Å; L575-C588 HydrophobicContact CG-CB 4.24Å; L575-C588 PolarHBondContact N-O 2.91Å; L575-C588 PolarHBondContact O-N 2.89Å; C588-L622 HydrophobicContact CB-CD2 4.49Å; C588-I739 HydrophobicContact CB-CB 4.44Å; C588-I739 HydrophobicContact CB-CG2 3.76Å
589	Y	94.6	Very high	90.8	Very high	30 Å²	30	45 Å²	45	12%	0.118	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.3	172.2	98	-80.8	0	0	0	111.1	L572 V573 H607 P790 S843 V844 M845	L572-Y589 HydrophobicContact CD1-CD2 4.43Å; L572-Y589 HydrophobicContact CD2-CD2 4.48Å; V573-Y589 CarbonylContact O-C 3.46Å; V573-Y589 VanDerWaalsContact O-CA 3.22Å; V573-Y589 WeakPolarHBondContact O-CA 3.48Å; Y589-H607 AromaticContact CZ-CE1 3.92Å; Y589-H607 PolarHBondContact OH-CE1 2.86Å; Y589-H607 VanDerWaalsContact OH-CE1 3.27Å; Y589-P790 HydrophobicContact CE1-CG 4Å; Y589-P790 WeakPolarHBondContact OH-CG 3.33Å; Y589-S843 VanDerWaalsContact CE1-O 3.28Å; Y589-S843 WeakPolarHBondContact CE1-O 3.16Å; Y589-V844 HydrophobicContact CE1-CG2 4.49Å; Y589-V844 HydrophobicContact CE2-CG1 4.23Å; Y589-M845 PolarHBondContact OH-N 3.18Å; Y589-M845 PolarHBondContact OH-O 3.46Å
590	L	95	Very high	90.7	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	137.6	178.2	-63.8	173.7	0	0	0	110.7	L572 V573 V604 L622 L741	L572-L590 CarbonylContact C-O 3.6Å; L572-L590 WeakPolarHBondContact CA-O 3.43Å; L572-L590 WeakPolarHBondContact CB-O 3.39Å; V573-L590 PolarHBondContact N-O 2.96Å; V573-L590 PolarHBondContact O-N 2.84Å; L590-V604 HydrophobicContact CB-CG1 3.71Å; L590-V604 HydrophobicContact CD1-CG1 3.47Å; L590-V604 VanDerWaalsContact CD1-CG1 3.47Å; L590-V604 HydrophobicContact CG-CG1 4.21Å; L590-L622 HydrophobicContact CD1-CD1 4.08Å; L590-L622 HydrophobicContact CD1-CD2 3.97Å; L590-L622 HydrophobicContact CD1-CG 4.17Å; L590-L741 HydrophobicContact CD1-CD2 3.75Å; L590-L741 HydrophobicContact CD1-CG 4.4Å; L590-L741 HydrophobicContact CD2-CD1 3.77Å; L590-L741 HydrophobicContact CD2-CD2 4.09Å; L590-L741 HydrophobicContact CD2-CG 4Å
591	P	94.9	Very high	91.1	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	154.7	171.2	-20.3	31.6	0	0	0	112.8	C571 T605 H607 L847	C571-P591 WeakPolarHBondContact O-CA 3.22Å; P591-T605 PolarHBondContact O-N 2.95Å; P591-H607 WeakPolarHBondContact CG-CE1 3.41Å; P591-H607 WeakPolarHBondContact CG-NE2 3.44Å; P591-L847 HydrophobicContact CB-CB 4.49Å; P591-L847 HydrophobicContact CB-CD1 3.96Å; P591-L847 HydrophobicContact CG-CD1 3.94Å
592	I	94.7	Very high	91.6	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.036	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	144.2	165.7	53.4	168.1	0	0	0	110.5	I555 L558 C571 V573 W602 I603 V604 I639	I555-I592 HydrophobicContact CD1-CD1 3.98Å; I555-I592 HydrophobicContact CD1-CG2 3.94Å; L558-I592 HydrophobicContact CD2-CD1 3.89Å; C571-I592 HydrophobicContact CB-CD1 4.19Å; C571-I592 HydrophobicContact CB-CG1 3.69Å; C571-I592 PolarHBondContact O-N 3.31Å; V573-I592 HydrophobicContact CG2-CG2 3.62Å; I592-W602 HydrophobicContact CB-CE3 4.25Å; I592-W602 HydrophobicContact CD1-CB 4.43Å; I592-W602 HydrophobicContact CD1-CD2 4.43Å; I592-W602 HydrophobicContact CD1-CE3 3.99Å; I592-W602 HydrophobicContact CG1-CE3 3.96Å; I592-I603 VanDerWaalsContact CA-O 3.26Å; I592-I603 WeakPolarHBondContact CA-O 3.34Å; I592-V604 HydrophobicContact CG2-CG2 3.89Å; I592-I639 HydrophobicContact CD1-CG2 4.26Å
593	T	91.8	Very high	92	Very high	36 Å²	36	49.8 Å²	49.8	22%	0.221	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.1	176.2	65.1	0	0	0	0	111.1	W602 I603 T605 L847	T593-W602 VanDerWaalsContact C-CE3 3.45Å; T593-W602 CarbonylContact O-C 3.1Å; T593-W602 VanDerWaalsContact O-CA 3.25Å; T593-W602 WeakPolarHBondContact O-CA 3.19Å; T593-I603 PolarHBondContact N-O 3.22Å; T593-I603 PolarHBondContact O-N 2.78Å; T593-T605 HydrophobicContact CG2-CG2 4.01Å; T593-T605 PolarHBondContact OG1-OG1 3.21Å; T593-L847 HydrophobicContact CG2-CD2 3.8Å
594	P	92.5	Very high	92.2	Very high	54 Å²	54	49.9 Å²	49.9	35%	0.351	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	134.2	175.4	31.4	-31.1	0	0	0	110	K599 W602	P594-K599 HydrophobicContact CB-CB 4.23Å; P594-K599 HydrophobicContact CB-CG 4.07Å; P594-K599 HydrophobicContact CG-CG 4.38Å; P594-W602 HydrophobicContact CB-CD2 4.09Å; P594-W602 HydrophobicContact CB-CE3 4.33Å; P594-W602 HydrophobicContact CB-CH2 4.23Å; P594-W602 HydrophobicContact CB-CZ2 3.97Å; P594-W602 HydrophobicContact CB-CZ3 4.42Å; P594-W602 HydrophobicContact CG-CH2 4.07Å; P594-W602 HydrophobicContact CG-CZ2 4.26Å; P594-W602 HydrophobicContact CG-CZ3 4.25Å
595	T	91.3	Very high	92.2	Very high	80 Å²	80	49.3 Å²	49.3	49%	0.491	24%	0.237	S	C	.	.	S	Bend	trans	-82.9	-18.2	176.6	59	0	0	0	0	113.2	T601 I603	T595-T601 PolarHBondContact N-O 2.88Å; T595-T601 WeakPolarHBondContact OG1-CB 3.44Å; T595-T601 PolarHBondContact OG1-O 3.4Å; T595-I603 HydrophobicContact CG2-CB 4.13Å; T595-I603 HydrophobicContact CG2-CD1 3.69Å; T595-I603 HydrophobicContact CG2-CG1 3.6Å; T595-I603 HydrophobicContact CG2-CG2 3.57Å
596	D	86.5	Confident	92.1	Very high	45 Å²	45	49.8 Å²	49.8	24%	0.241	24%	0.241	C	C	.	.	S	Bend	trans	-130.1	153.8	-174.7	68.4	-77.6	0	0	0	111.6	E598 K599 K600 T601	D596-E598 PolarHBondContact O-N 2.8Å; D596-E598 WeakPolarHBondContact OD2-CA 3.4Å; D596-E598 WeakPolarHBondContact OD2-CB 3.33Å; D596-E598 PolarHBondContact OD2-N 3.36Å; D596-E598 VanDerWaalsContact OD2-N 3.14Å; D596-K599 PolarHBondContact O-N 2.96Å; D596-K599 VanDerWaalsContact O-N 3.07Å; D596-K599 PolarHBondContact OD2-N 2.84Å; D596-K600 PolarHBondContact OD1-N 3.31Å; D596-K600 PolarHBondContact OD2-N 3.22Å; D596-T601 PolarHBondContact OD1-N 3.08Å
597	R	82.3	Confident	91.9	Very high	253 Å²	253	50 Å²	50	96%	0.955	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-22.3	-178.7	-66.1	-177.4	-179.6	176.4	-0.1	113.6	K599	R597-K599 VanDerWaalsContact C-N 3.29Å
598	E	81.7	Confident	91.7	Very high	132 Å²	132	49.7 Å²	49.7	62%	0.617	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	3.4	179.4	-51.3	-179.5	148.7	0	0	111.8	D596 K600	D596-E598 PolarHBondContact O-N 2.8Å; D596-E598 WeakPolarHBondContact OD2-CA 3.4Å; D596-E598 WeakPolarHBondContact OD2-CB 3.33Å; D596-E598 PolarHBondContact OD2-N 3.36Å; D596-E598 VanDerWaalsContact OD2-N 3.14Å; E598-K600 HydrophobicContact CB-CD 4.05Å; E598-K600 HydrophobicContact CB-CG 4.05Å; E598-K600 PolarHBondContact O-N 3.26Å; E598-K600 VanDerWaalsContact O-N 3.09Å; E598-K600 WeakPolarHBondContact OE2-CD 3.45Å; E598-K600 WeakPolarHBondContact OE2-CE 3.48Å; E598-K600 IonicContact OE2-NZ 3.2Å; E598-K600 PolarHBondContact OE2-NZ 3.49Å
599	K	84.6	Confident	91.6	Very high	84 Å²	84	49.7 Å²	49.7	37%	0.365	24%	0.24	S	C	.	.			trans	52.9	26.1	-179.8	-54.5	174.1	-168	163.8	0	113.9	E562 P594 D596 R597 W602	E562-K599 WeakPolarHBondContact OE1-CD 3.33Å; E562-K599 WeakPolarHBondContact OE1-CE 3.4Å; E562-K599 IonicContact OE1-NZ 3.08Å; E562-K599 PolarHBondContact OE1-NZ 3.01Å; P594-K599 HydrophobicContact CB-CB 4.23Å; P594-K599 HydrophobicContact CB-CG 4.07Å; P594-K599 HydrophobicContact CG-CG 4.38Å; D596-K599 PolarHBondContact O-N 2.96Å; D596-K599 VanDerWaalsContact O-N 3.07Å; D596-K599 PolarHBondContact OD2-N 2.84Å; R597-K599 VanDerWaalsContact C-N 3.29Å; K599-W602 HydrophobicContact CB-CZ2 3.91Å; K599-W602 HydrophobicContact CD-CZ2 4.15Å; K599-W602 HydrophobicContact CG-CZ2 4.17Å; K599-W602 PolarHBondContact O-NE1 2.8Å
600	K	86.1	Confident	91.3	Very high	117 Å²	117	49.7 Å²	49.7	51%	0.509	24%	0.24	S	C	.	.			trans	-75	-25.9	-177.1	-72.5	175.1	179.3	167.1	0	113.1	T556 Q557 D596 E598	T556-K600 CarbonylContact C-O 3.58Å; T556-K600 VanDerWaalsContact CA-O 3.29Å; T556-K600 WeakPolarHBondContact CA-O 3.49Å; Q557-K600 PolarHBondContact N-O 3.37Å; D596-K600 PolarHBondContact OD1-N 3.31Å; D596-K600 PolarHBondContact OD2-N 3.22Å; E598-K600 HydrophobicContact CB-CD 4.05Å; E598-K600 HydrophobicContact CB-CG 4.05Å; E598-K600 PolarHBondContact O-N 3.26Å; E598-K600 VanDerWaalsContact O-N 3.09Å; E598-K600 WeakPolarHBondContact OE2-CD 3.45Å; E598-K600 WeakPolarHBondContact OE2-CE 3.48Å; E598-K600 IonicContact OE2-NZ 3.2Å; E598-K600 PolarHBondContact OE2-NZ 3.49Å
601	T	92.2	Very high	90.5	Very high	42 Å²	42	54 Å²	54	26%	0.258	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	118.5	-176	-54.6	0	0	0	0	110.9	K554 I555 T556 T595 D596	K554-T601 HydrophobicContact CB-CG2 3.9Å; K554-T601 HydrophobicContact CD-CG2 4.4Å; I555-T601 WeakPolarHBondContact O-CA 2.93Å; T556-T601 HydrophobicContact CG2-CG2 3.98Å; T595-T601 PolarHBondContact N-O 2.88Å; T595-T601 WeakPolarHBondContact OG1-CB 3.44Å; T595-T601 PolarHBondContact OG1-O 3.4Å; D596-T601 PolarHBondContact OD1-N 3.08Å
602	W	95.2	Very high	89.6	Confident	14 Å²	14	59.3 Å²	59.3	5%	0.053	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	149.4	179.5	-63.7	68.7	0	0	0	111.1	K554 I555 L558 I560 C571 I592 T593 P594 K599	K554-W602 CarbonylContact C-O 3.53Å; K554-W602 VanDerWaalsContact CA-O 3.28Å; K554-W602 WeakPolarHBondContact CA-O 3.26Å; I555-W602 HydrophobicContact CB-CB 4.28Å; I555-W602 PolarHBondContact N-O 3.24Å; I555-W602 PolarHBondContact O-N 3.12Å; L558-W602 HydrophobicContact CD2-CD2 4.08Å; L558-W602 HydrophobicContact CD2-CG 4Å; I560-W602 HydrophobicContact CD1-CH2 3.49Å; I560-W602 VanDerWaalsContact CD1-CH2 3.49Å; I560-W602 HydrophobicContact CD1-CZ2 3.31Å; I560-W602 HydrophobicContact CD1-CZ3 4.21Å; I560-W602 HydrophobicContact CG1-CZ2 4.25Å; C571-W602 HydrophobicContact CB-CE3 4.39Å; C571-W602 HydrophobicContact CB-CH2 4.44Å; C571-W602 HydrophobicContact CB-CZ3 3.75Å; I592-W602 HydrophobicContact CB-CE3 4.25Å; I592-W602 HydrophobicContact CD1-CB 4.43Å; I592-W602 HydrophobicContact CD1-CD2 4.43Å; I592-W602 HydrophobicContact CD1-CE3 3.99Å; I592-W602 HydrophobicContact CG1-CE3 3.96Å; T593-W602 VanDerWaalsContact C-CE3 3.45Å; T593-W602 CarbonylContact O-C 3.1Å; T593-W602 VanDerWaalsContact O-CA 3.25Å; T593-W602 WeakPolarHBondContact O-CA 3.19Å; P594-W602 HydrophobicContact CB-CD2 4.09Å; P594-W602 HydrophobicContact CB-CE3 4.33Å; P594-W602 HydrophobicContact CB-CH2 4.23Å; P594-W602 HydrophobicContact CB-CZ2 3.97Å; P594-W602 HydrophobicContact CB-CZ3 4.42Å; P594-W602 HydrophobicContact CG-CH2 4.07Å; P594-W602 HydrophobicContact CG-CZ2 4.26Å; P594-W602 HydrophobicContact CG-CZ3 4.25Å; K599-W602 HydrophobicContact CB-CZ2 3.91Å; K599-W602 HydrophobicContact CD-CZ2 4.15Å; K599-W602 HydrophobicContact CG-CZ2 4.17Å; K599-W602 PolarHBondContact O-NE1 2.8Å
603	I	95.8	Very high	89.1	Confident	65 Å²	65	63 Å²	63	33%	0.333	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148	175.6	59.3	172.8	0	0	0	111.7	I592 T593 T595 T605	I592-I603 VanDerWaalsContact CA-O 3.26Å; I592-I603 WeakPolarHBondContact CA-O 3.34Å; T593-I603 PolarHBondContact N-O 3.22Å; T593-I603 PolarHBondContact O-N 2.78Å; T595-I603 HydrophobicContact CG2-CB 4.13Å; T595-I603 HydrophobicContact CG2-CD1 3.69Å; T595-I603 HydrophobicContact CG2-CG1 3.6Å; T595-I603 HydrophobicContact CG2-CG2 3.57Å; I603-T605 PolarHBondContact O-N 3Å; I603-T605 PolarHBondContact O-OG1 2.92Å; I603-T605 VanDerWaalsContact O-OG1 3.07Å
604	V	96	Very high	88.8	Confident	5 Å²	5	69.5 Å²	69.5	3%	0.03	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	123.7	171.2	173.6	0	0	0	0	109.3	I552 V573 L590 I592 S620	I552-V604 HydrophobicContact CB-CG2 3.75Å; I552-V604 HydrophobicContact CD1-CG2 4.11Å; I552-V604 HydrophobicContact CG1-CG2 4.47Å; I552-V604 HydrophobicContact CG2-CG2 3.91Å; V573-V604 HydrophobicContact CG2-CG2 4.3Å; L590-V604 HydrophobicContact CB-CG1 3.71Å; L590-V604 HydrophobicContact CD1-CG1 3.47Å; L590-V604 VanDerWaalsContact CD1-CG1 3.47Å; L590-V604 HydrophobicContact CG-CG1 4.21Å; I592-V604 HydrophobicContact CG2-CG2 3.89Å; V604-S620 WeakPolarHBondContact O-CB 3.38Å
605	T	94	Very high	88.4	Confident	28 Å²	28	71.6 Å²	71.6	17%	0.172	35%	0.346	C	S	.	.			trans	-125.9	90.2	-173.1	-51.9	0	0	0	0	108.7	P591 T593 I603	P591-T605 PolarHBondContact O-N 2.95Å; T593-T605 HydrophobicContact CG2-CG2 4.01Å; T593-T605 PolarHBondContact OG1-OG1 3.21Å; I603-T605 PolarHBondContact O-N 3Å; I603-T605 PolarHBondContact O-OG1 2.92Å; I603-T605 VanDerWaalsContact O-OG1 3.07Å
606	P	94.3	Very high	88.2	Confident	11 Å²	11	68 Å²	68	7%	0.071	32%	0.324	C	S	.	.			trans	-53.1	148	176.7	-28.8	36.8	0	0	0	112.8	N608 L618 L741	P606-N608 PolarHBondContact O-N 3.3Å; P606-L618 HydrophobicContact CB-CD2 3.72Å; P606-L618 HydrophobicContact CB-CG 4.08Å; P606-L741 HydrophobicContact CB-CD1 3.89Å; P606-L741 HydrophobicContact CG-CD1 4.17Å; P606-L741 HydrophobicContact CG-CD2 4.13Å
607	H	93.9	Very high	88.2	Confident	6 Å²	6	72.3 Å²	72.3	3%	0.028	34%	0.342	C	S	.	.			trans	-57.1	121.8	164.3	-69.6	116.5	0	0	0	109.3	Y589 P591 L618 P790 E794 M845 F850	Y589-H607 AromaticContact CZ-CE1 3.92Å; Y589-H607 PolarHBondContact OH-CE1 2.86Å; Y589-H607 VanDerWaalsContact OH-CE1 3.27Å; P591-H607 WeakPolarHBondContact CG-CE1 3.41Å; P591-H607 WeakPolarHBondContact CG-NE2 3.44Å; H607-L618 WeakPolarHBondContact O-CD2 3.47Å; H607-P790 HydrophobicContact CB-CB 4.14Å; H607-E794 WeakPolarHBondContact O-CG 3.27Å; H607-M845 PolarHBondContact CE1-O 3.16Å; H607-F850 HydrophobicContact CB-CD1 4.36Å; H607-F850 HydrophobicContact CB-CD2 3.8Å; H607-F850 HydrophobicContact CB-CE1 4.2Å; H607-F850 HydrophobicContact CB-CE2 3.6Å; H607-F850 HydrophobicContact CB-CG 4.19Å; H607-F850 HydrophobicContact CB-CZ 3.83Å; H607-F850 AromaticContact CD2-CD1 3.96Å; H607-F850 AromaticContact CD2-CD2 3.63Å; H607-F850 AromaticContact CD2-CG 3.42Å; H607-F850 VanDerWaalsContact CD2-CG 3.42Å; H607-F850 WeakPolarHBondContact CD2-CG 3.44Å; H607-F850 AromaticContact CG-CD2 3.8Å
608	N	93.4	Very high	88.7	Confident	16 Å²	16	61.1 Å²	61.1	9%	0.086	30%	0.301	C	S	.	.			trans	-138.3	117.5	179.5	-178.9	-15.6	0	0	0	109	P606 K610 K611 Y616 L618 E794 R797	P606-N608 PolarHBondContact O-N 3.3Å; N608-K610 VanDerWaalsContact C-N 3.32Å; N608-K610 PolarHBondContact O-N 3.45Å; N608-K610 PolarHBondContact OD1-N 3.48Å; N608-K611 HydrophobicContact CB-CG 4.04Å; N608-K611 VanDerWaalsContact O-CG 3.32Å; N608-K611 WeakPolarHBondContact O-CG 3.42Å; N608-Y616 PolarHBondContact ND2-O 3.33Å; N608-L618 HydrophobicContact CB-CB 4.46Å; N608-E794 VanDerWaalsContact CA-OE2 3.25Å; N608-E794 WeakPolarHBondContact CA-OE2 3.4Å; N608-R797 PolarHBondContact OD1-NH2 3.17Å; N608-R797 VanDerWaalsContact OD1-NH2 3.13Å
609	I	92.8	Very high	89.3	Confident	10 Å²	10	57.3 Å²	57.3	5%	0.051	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-17	-173.1	-164.6	169.3	0	0	0	113.3	L791 E794 C795 V798 F850 L858	I609-L791 HydrophobicContact CD1-CD1 4.11Å; I609-E794 HydrophobicContact CB-CB 4.12Å; I609-E794 HydrophobicContact CG2-CB 4.03Å; I609-E794 PolarHBondContact N-OE2 2.68Å; I609-C795 VanDerWaalsContact CD1-SG 3.56Å; I609-V798 HydrophobicContact CG2-CB 3.81Å; I609-V798 HydrophobicContact CG2-CG1 4.28Å; I609-V798 HydrophobicContact CG2-CG2 3.4Å; I609-V798 VanDerWaalsContact CG2-CG2 3.4Å; I609-F850 HydrophobicContact CB-CE1 4.32Å; I609-F850 HydrophobicContact CB-CZ 3.99Å; I609-L858 HydrophobicContact CD1-CD2 3.92Å; I609-L858 HydrophobicContact CD1-CG 3.87Å; I609-L858 HydrophobicContact CG1-CD1 4.12Å; I609-L858 HydrophobicContact CG1-CD2 3.95Å; I609-L858 HydrophobicContact CG1-CG 3.8Å; I609-L858 HydrophobicContact CG2-CD2 4.45Å
610	K	87.8	Confident	89.8	Confident	30 Å²	30	54.9 Å²	54.9	13%	0.13	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.8	61.1	176.2	-73.7	-165.9	178.4	-171.6	0	112.5	N608 S612 E613 Y616 V798 L858	N608-K610 VanDerWaalsContact C-N 3.32Å; N608-K610 PolarHBondContact O-N 3.45Å; N608-K610 PolarHBondContact OD1-N 3.48Å; K610-S612 PolarHBondContact O-N 3.36Å; K610-S612 VanDerWaalsContact O-N 3.13Å; K610-E613 IonicContact NZ-OE1 2.69Å; K610-E613 PolarHBondContact O-N 2.95Å; K610-Y616 HydrophobicContact CB-CD2 3.56Å; K610-Y616 HydrophobicContact CB-CE2 3.94Å; K610-Y616 HydrophobicContact CB-CG 4.22Å; K610-Y616 HydrophobicContact CD-CD2 3.8Å; K610-Y616 HydrophobicContact CD-CE1 4.32Å; K610-Y616 HydrophobicContact CD-CE2 3.32Å; K610-Y616 HydrophobicContact CD-CG 4.49Å; K610-Y616 HydrophobicContact CG-CD2 4.33Å; K610-Y616 HydrophobicContact CG-CE2 4.28Å; K610-Y616 PolarHBondContact NZ-OH 2.81Å; K610-V798 HydrophobicContact CD-CG1 3.65Å; K610-V798 HydrophobicContact CG-CG1 4.04Å; K610-L858 HydrophobicContact CG-CD1 4.13Å; K610-L858 HydrophobicContact CG-CD2 4.19Å
611	K	79	Confident	90.3	Very high	97 Å²	97	50.5 Å²	50.5	42%	0.422	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-28.6	-179	-62.6	-173.9	179.7	-178.7	0	115.5	N608 E851	N608-K611 HydrophobicContact CB-CG 4.04Å; N608-K611 VanDerWaalsContact O-CG 3.32Å; N608-K611 WeakPolarHBondContact O-CG 3.42Å; K611-E851 IonicContact NZ-OE1 3.45Å; K611-E851 PolarHBondContact NZ-OE1 3.47Å
612	S	76.4	Confident	90.6	Very high	114 Å²	114	48.5 Å²	48.5	80%	0.797	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-20.4	-173.3	48.7	0	0	0	0	114.7	K610	K610-S612 PolarHBondContact O-N 3.36Å; K610-S612 VanDerWaalsContact O-N 3.13Å
613	E	84.4	Confident	90.7	Very high	83 Å²	83	47.9 Å²	47.9	39%	0.388	25%	0.25	S	S	.	.			trans	-107.4	110.3	-175.9	-77.3	-177.4	-101.4	0	0	110.1	K610 L615 Y616	K610-E613 IonicContact NZ-OE1 2.69Å; K610-E613 PolarHBondContact O-N 2.95Å; E613-L615 PolarHBondContact O-N 3.06Å; E613-Y616 HydrophobicContact CB-CD2 3.66Å; E613-Y616 HydrophobicContact CB-CE2 3.53Å; E613-Y616 VanDerWaalsContact CD-CE2 3.41Å; E613-Y616 HydrophobicContact CG-CE2 4.1Å; E613-Y616 PolarHBondContact O-N 2.73Å; E613-Y616 WeakPolarHBondContact OE1-CE2 3.41Å; E613-Y616 VanDerWaalsContact OE2-CE2 3.3Å; E613-Y616 WeakPolarHBondContact OE2-CE2 3.46Å; E613-Y616 PolarHBondContact OE2-OH 2.7Å
614	K	84.4	Confident	90.8	Very high	173 Å²	173	44.8 Å²	44.8	75%	0.752	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-49.3	-26.6	178.6	-175.7	168.2	-174.1	173.1	0	114.1	Y616 E617	K614-Y616 VanDerWaalsContact C-N 3.26Å; K614-Y616 PolarHBondContact O-N 3.35Å; K614-E617 WeakPolarHBondContact CE-OE2 3.44Å; K614-E617 WeakPolarHBondContact CG-OE2 3.45Å; K614-E617 VanDerWaalsContact O-CB 3.23Å; K614-E617 WeakPolarHBondContact O-CB 3.37Å; K614-E617 PolarHBondContact O-N 2.93Å; K614-E617 VanDerWaalsContact O-N 3.15Å
615	L	84	Confident	90.8	Very high	99 Å²	99	44.5 Å²	44.5	52%	0.518	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-62.6	-28.2	178.4	-171.6	49.5	0	0	0	113.5	E613 Q801 K805	E613-L615 PolarHBondContact O-N 3.06Å; L615-Q801 PolarHBondContact O-NE2 3Å; L615-Q801 PolarHBondContact O-OE1 3.41Å; L615-K805 HydrophobicContact CD2-CD 4.28Å; L615-K805 VanDerWaalsContact CD2-CE 3.49Å
616	Y	87.1	Confident	90.9	Very high	5 Å²	5	43.2 Å²	43.2	2%	0.02	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-111.7	27	172.4	-21.8	-100.8	0	0	0	112.6	N608 K610 E613 K614 L618 R797 V798 Q801 D802 K805	N608-Y616 PolarHBondContact ND2-O 3.33Å; K610-Y616 HydrophobicContact CB-CD2 3.56Å; K610-Y616 HydrophobicContact CB-CE2 3.94Å; K610-Y616 HydrophobicContact CB-CG 4.22Å; K610-Y616 HydrophobicContact CD-CD2 3.8Å; K610-Y616 HydrophobicContact CD-CE1 4.32Å; K610-Y616 HydrophobicContact CD-CE2 3.32Å; K610-Y616 HydrophobicContact CD-CG 4.49Å; K610-Y616 HydrophobicContact CG-CD2 4.33Å; K610-Y616 HydrophobicContact CG-CE2 4.28Å; K610-Y616 PolarHBondContact NZ-OH 2.81Å; E613-Y616 HydrophobicContact CB-CD2 3.66Å; E613-Y616 HydrophobicContact CB-CE2 3.53Å; E613-Y616 VanDerWaalsContact CD-CE2 3.41Å; E613-Y616 HydrophobicContact CG-CE2 4.1Å; E613-Y616 PolarHBondContact O-N 2.73Å; E613-Y616 WeakPolarHBondContact OE1-CE2 3.41Å; E613-Y616 VanDerWaalsContact OE2-CE2 3.3Å; E613-Y616 WeakPolarHBondContact OE2-CE2 3.46Å; E613-Y616 PolarHBondContact OE2-OH 2.7Å; K614-Y616 VanDerWaalsContact C-N 3.26Å; K614-Y616 PolarHBondContact O-N 3.35Å; Y616-L618 PolarHBondContact O-N 3.43Å; Y616-R797 PolarHBondContact O-NH1 2.99Å; Y616-R797 PolarHBondContact O-NH2 3.41Å; Y616-R797 VanDerWaalsContact O-NH2 3.09Å; Y616-V798 HydrophobicContact CD1-CB 4.26Å; Y616-V798 HydrophobicContact CD1-CG1 3.91Å; Y616-V798 HydrophobicContact CD1-CG2 3.96Å; Y616-V798 HydrophobicContact CE1-CG1 3.87Å; Y616-V798 HydrophobicContact CG-CG1 4.46Å; Y616-V798 HydrophobicContact CG-CG2 4.06Å; Y616-Q801 HydrophobicContact CD1-CB 4.29Å; Y616-Q801 HydrophobicContact CD1-CG 4.39Å; Y616-D802 WeakPolarHBondContact CE1-OD1 3.29Å; Y616-D802 PolarHBondContact OH-OD1 2.82Å; Y616-D802 VanDerWaalsContact OH-OD1 3.14Å; Y616-K805 VanDerWaalsContact CE1-NZ 3.29Å; Y616-K805 VanDerWaalsContact CZ-NZ 3.29Å; Y616-K805 PolarHBondContact OH-NZ 2.81Å
617	E	87.5	Confident	90.8	Very high	134 Å²	134	45.2 Å²	45.2	63%	0.626	24%	0.235	S	C	*	.			trans	-51.5	132.9	167.2	-172.8	169.6	-167.6	0	0	109.9	K614	K614-E617 WeakPolarHBondContact CE-OE2 3.44Å; K614-E617 WeakPolarHBondContact CG-OE2 3.45Å; K614-E617 VanDerWaalsContact O-CB 3.23Å; K614-E617 WeakPolarHBondContact O-CB 3.37Å; K614-E617 PolarHBondContact O-N 2.93Å; K614-E617 VanDerWaalsContact O-N 3.15Å
618	L	93.1	Very high	90.5	Very high	19 Å²	19	48.8 Å²	48.8	10%	0.099	25%	0.254	C	S	.	.			trans	-121	113.2	-176.2	178.2	60.4	0	0	0	108.5	P606 H607 N608 Y616 L741 Y744	P606-L618 HydrophobicContact CB-CD2 3.72Å; P606-L618 HydrophobicContact CB-CG 4.08Å; H607-L618 WeakPolarHBondContact O-CD2 3.47Å; N608-L618 HydrophobicContact CB-CB 4.46Å; Y616-L618 PolarHBondContact O-N 3.43Å; L618-L741 HydrophobicContact CD2-CD1 4.23Å; L618-Y744 HydrophobicContact CD1-CE1 4.27Å; L618-Y744 HydrophobicContact CD2-CE1 4.02Å
619	S	92.7	Very high	90	Very high	52 Å²	52	54.1 Å²	54.1	36%	0.364	28%	0.279	S	S	.	.			trans	-64.8	142.2	177.5	-174.5	0	0	0	0	111.3	D621	S619-D621 PolarHBondContact O-N 3.37Å; S619-D621 WeakPolarHBondContact OG-CB 3.42Å; S619-D621 PolarHBondContact OG-N 2.8Å; S619-D621 VanDerWaalsContact OG-N 3.16Å
620	S	94.9	Very high	89.8	Confident	33 Å²	33	56.4 Å²	56.4	23%	0.231	29%	0.291	C	S	.	.			trans	-77	-1.2	169.5	51.4	0	0	0	0	113.6	V604 L622	V604-S620 WeakPolarHBondContact O-CB 3.38Å; S620-L622 PolarHBondContact O-N 2.74Å
621	D	97.5	Very high	89.7	Confident	24 Å²	24	59.3 Å²	59.3	13%	0.128	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-65.4	125.6	175.9	-77.5	4.8	0	0	0	111.5	I549 S551 S619 R719 I742	I549-D621 HydrophobicContact CG2-CB 3.71Å; S551-D621 WeakPolarHBondContact CB-OD1 3.35Å; S551-D621 PolarHBondContact OG-OD1 2.88Å; S619-D621 PolarHBondContact O-N 3.37Å; S619-D621 WeakPolarHBondContact OG-CB 3.42Å; S619-D621 PolarHBondContact OG-N 2.8Å; S619-D621 VanDerWaalsContact OG-N 3.16Å; D621-R719 VanDerWaalsContact CG-NH2 3.26Å; D621-R719 IonicContact OD1-NH2 2.63Å; D621-R719 PolarHBondContact OD1-NH2 3.25Å; D621-R719 IonicContact OD2-CZ 3.88Å; D621-R719 IonicContact OD2-NH1 2.66Å; D621-R719 IonicContact OD2-NH2 2.63Å; D621-R719 PolarHBondContact OD2-NH2 3.09Å; D621-I742 HydrophobicContact CB-CG2 3.9Å; D621-I742 VanDerWaalsContact O-CG2 3.32Å; D621-I742 WeakPolarHBondContact O-CG2 3.27Å; D621-I742 PolarHBondContact O-N 3.35Å
622	L	98.2	Very high	90	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	146.8	177	-70.5	140.7	0	0	0	109.8	I549 I550 L575 C588 L590 S620 I739 G740 L741	I549-L622 CarbonylContact C-O 3.47Å; I549-L622 VanDerWaalsContact CA-O 3.25Å; I549-L622 WeakPolarHBondContact CA-O 3.1Å; I550-L622 PolarHBondContact N-O 3.33Å; I550-L622 PolarHBondContact O-N 2.84Å; L575-L622 HydrophobicContact CD1-CD1 3.88Å; L575-L622 HydrophobicContact CD1-CD2 4.38Å; L575-L622 HydrophobicContact CD2-CD1 4Å; L575-L622 HydrophobicContact CD2-CD2 4.24Å; C588-L622 HydrophobicContact CB-CD2 4.49Å; L590-L622 HydrophobicContact CD1-CD1 4.08Å; L590-L622 HydrophobicContact CD1-CD2 3.97Å; L590-L622 HydrophobicContact CD1-CG 4.17Å; S620-L622 PolarHBondContact O-N 2.74Å; L622-I739 HydrophobicContact CD2-CG2 4.13Å; L622-G740 CarbonylContact C-O 3.46Å; L622-G740 VanDerWaalsContact CA-O 3.24Å; L622-G740 WeakPolarHBondContact CA-O 3.21Å; L622-L741 HydrophobicContact CD2-CD2 4.36Å; L622-L741 HydrophobicContact CG-CD2 4.36Å
623	F	97.8	Very high	90.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	150.2	157.8	70.2	-94.6	0	0	0	109.9	K548 I549 L731 L734 L738 I739 G740 I742 A745 L748	K548-F623 WeakPolarHBondContact O-CA 3.4Å; I549-F623 HydrophobicContact CD1-CB 3.97Å; F623-L731 HydrophobicContact CB-CD1 4.13Å; F623-L731 HydrophobicContact CB-CD2 3.71Å; F623-L731 HydrophobicContact CD1-CD2 3.73Å; F623-L731 HydrophobicContact CD2-CD2 3.72Å; F623-L731 HydrophobicContact CE1-CD2 4.3Å; F623-L731 HydrophobicContact CE2-CD2 4.3Å; F623-L731 HydrophobicContact CG-CD2 3.42Å; F623-L731 VanDerWaalsContact CG-CD2 3.42Å; F623-L734 HydrophobicContact CE2-CD1 4.13Å; F623-L734 HydrophobicContact CZ-CD1 4Å; F623-L738 HydrophobicContact CE2-CB 4.16Å; F623-L738 HydrophobicContact CE2-CD2 3.87Å; F623-L738 HydrophobicContact CE2-CG 3.99Å; F623-L738 HydrophobicContact CZ-CD2 3.84Å; F623-L738 HydrophobicContact CZ-CG 4.23Å; F623-I739 WeakPolarHBondContact O-CA 3.4Å; F623-G740 WeakPolarHBondContact CD1-O 3.45Å; F623-G740 VanDerWaalsContact CE1-C 3.46Å; F623-G740 VanDerWaalsContact CE1-CA 3.49Å; F623-G740 WeakPolarHBondContact CE1-O 3.33Å; F623-G740 PolarHBondContact N-O 2.77Å; F623-G740 PolarHBondContact O-N 3.06Å; F623-G740 VanDerWaalsContact O-N 3.16Å; F623-I742 HydrophobicContact CB-CD1 4.36Å; F623-I742 HydrophobicContact CD1-CD1 4.44Å; F623-A745 HydrophobicContact CD1-CB 4.5Å; F623-A745 HydrophobicContact CE1-CB 4.45Å; F623-L748 HydrophobicContact CE1-CD1 3.64Å; F623-L748 HydrophobicContact CZ-CD1 3.46Å; F623-L748 VanDerWaalsContact CZ-CD1 3.46Å
624	V	97.5	Very high	91.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.5	166.8	175	0	0	0	0	108.4	W546 Q547 K548 I550 L577 I635 I739	W546-V624 HydrophobicContact CE3-CG1 4.33Å; W546-V624 HydrophobicContact CZ3-CB 3.85Å; W546-V624 HydrophobicContact CZ3-CG1 3.99Å; Q547-V624 WeakPolarHBondContact CA-O 3.48Å; K548-V624 PolarHBondContact N-O 3.18Å; K548-V624 PolarHBondContact O-N 2.81Å; I550-V624 HydrophobicContact CD1-CB 3.94Å; I550-V624 HydrophobicContact CD1-CG2 3.45Å; I550-V624 VanDerWaalsContact CD1-CG2 3.45Å; I550-V624 HydrophobicContact CG1-CG2 4.12Å; L577-V624 HydrophobicContact CD1-CG1 4.17Å; L577-V624 HydrophobicContact CD2-CG1 3.88Å; L577-V624 HydrophobicContact CG-CG1 4.1Å; V624-I635 HydrophobicContact CG1-CG1 4.37Å; V624-I739 HydrophobicContact CB-CG1 4.38Å; V624-I739 HydrophobicContact CG1-CD1 4.26Å; V624-I739 HydrophobicContact CG1-CG1 4.14Å; V624-I739 HydrophobicContact CG2-CB 4.42Å; V624-I739 HydrophobicContact CG2-CD1 3.81Å; V624-I739 HydrophobicContact CG2-CG1 3.84Å; V624-I739 HydrophobicContact CG2-CG2 4.09Å
625	R	96.6	Very high	91.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.7	175.5	-75.7	172.6	59.4	91.4	-8.6	109.8	R542 P544 W546 Q547 L577 L731 L734 P735 D736 I737 L738	R542-R625 PolarHBondContact O-NH1 3.18Å; R542-R625 PolarHBondContact O-NH2 3.02Å; P544-R625 HydrophobicContact CG-CB 4.19Å; P544-R625 HydrophobicContact CG-CG 4.14Å; W546-R625 CarbonylContact O-C 3.57Å; W546-R625 WeakPolarHBondContact O-CA 3.22Å; Q547-R625 HydrophobicContact CB-CG 4.46Å; Q547-R625 HydrophobicContact CG-CG 4.2Å; L577-R625 WeakPolarHBondContact CD1-O 3.35Å; R625-L731 PolarHBondContact NE-O 2.6Å; R625-L731 PolarHBondContact NH1-O 3.41Å; R625-L734 PolarHBondContact NH2-O 3.09Å; R625-P735 PolarHBondContact NE-O 3.16Å; R625-D736 CarbonylContact C-O 3.55Å; R625-D736 IonicContact NH2-OD1 2.61Å; R625-I737 WeakPolarHBondContact O-CA 3.26Å; R625-L738 PolarHBondContact N-O 3.2Å; R625-L738 PolarHBondContact O-N 2.74Å
626	Y	95.6	Very high	92.5	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	139.2	172.2	173.2	-104	0	0	0	110.9	W546 L577 I584 D628 N630 I633 L663 Y664 D736 I737	W546-Y626 WeakPolarHBondContact CA-O 3.39Å; W546-Y626 HydrophobicContact CB-CD1 4.34Å; W546-Y626 WeakPolarHBondContact CB-O 3.47Å; W546-Y626 PolarHBondContact N-O 2.9Å; W546-Y626 PolarHBondContact O-N 2.81Å; L577-Y626 HydrophobicContact CD1-CD2 4.21Å; L577-Y626 HydrophobicContact CD1-CG 4.39Å; I584-Y626 HydrophobicContact CD1-CD2 4.15Å; I584-Y626 HydrophobicContact CD1-CE2 3.83Å; Y626-D628 HydrophobicContact CE1-CB 4.17Å; Y626-D628 WeakPolarHBondContact CE1-O 3.19Å; Y626-D628 HydrophobicContact CE2-CB 3.93Å; Y626-D628 VanDerWaalsContact OH-CB 3.24Å; Y626-D628 WeakPolarHBondContact OH-CB 3.29Å; Y626-D628 PolarHBondContact OH-OD2 2.63Å; Y626-N630 WeakPolarHBondContact OH-CB 3.46Å; Y626-I633 HydrophobicContact CD2-CG2 4.37Å; Y626-I633 HydrophobicContact CE1-CB 4.39Å; Y626-I633 HydrophobicContact CE1-CG1 4.46Å; Y626-I633 HydrophobicContact CE2-CB 4.35Å; Y626-I633 HydrophobicContact CE2-CG1 3.92Å; Y626-I633 HydrophobicContact CE2-CG2 4.12Å; Y626-I633 VanDerWaalsContact OH-CG1 3.29Å; Y626-I633 WeakPolarHBondContact OH-CG1 3.39Å; Y626-L663 HydrophobicContact CD1-CD1 3.29Å; Y626-L663 HydrophobicContact CE1-CD1 3.76Å; Y626-L663 HydrophobicContact CG-CD1 3.71Å; Y626-Y664 HydrophobicContact CE1-CE2 4.21Å; Y626-D736 CarbonylContact C-O 3.43Å; Y626-D736 WeakPolarHBondContact CA-O 3.47Å; Y626-D736 PolarHBondContact N-O 3.4Å; Y626-I737 HydrophobicContact CD2-CD1 4.33Å; Y626-I737 HydrophobicContact CD2-CG1 4.26Å
627	N	92.1	Very high	93	Very high	53 Å²	53	38.7 Å²	38.7	28%	0.283	20%	0.204	S	C	.	.			trans	-133	37.6	-168.8	-157	23.3	0	0	0	116.1	P544 R545 D736	P544-N627 VanDerWaalsContact CA-OD1 3.27Å; P544-N627 WeakPolarHBondContact CA-OD1 3.32Å; P544-N627 HydrophobicContact CB-CB 3.47Å; P544-N627 VanDerWaalsContact CB-CB 3.47Å; R545-N627 PolarHBondContact N-OD1 2.88Å; N627-D736 HydrophobicContact CB-CB 3.63Å; N627-D736 WeakPolarHBondContact CB-OD2 3.48Å; N627-D736 PolarHBondContact ND2-OD2 2.91Å
628	D	88	Confident	93.3	Very high	81 Å²	81	32.4 Å²	32.4	43%	0.433	18%	0.175	S	C	.	.			trans	-130.7	171.2	177.8	164.3	35.7	0	0	0	109	Y626 N630 Y664	Y626-D628 HydrophobicContact CE1-CB 4.17Å; Y626-D628 WeakPolarHBondContact CE1-O 3.19Å; Y626-D628 HydrophobicContact CE2-CB 3.93Å; Y626-D628 VanDerWaalsContact OH-CB 3.24Å; Y626-D628 WeakPolarHBondContact OH-CB 3.29Å; Y626-D628 PolarHBondContact OH-OD2 2.63Å; D628-N630 WeakPolarHBondContact OD2-CB 3.39Å; D628-Y664 PolarHBondContact O-OH 3.33Å
629	Q	83.6	Confident	93.4	Very high	128 Å²	128	31.5 Å²	31.5	60%	0.598	17%	0.17	S	C	*	.			trans	-101.4	-1.1	-178	-65.2	-177.4	-81.3	0	0	113.3	M631	Q629-M631 PolarHBondContact O-N 3.23Å
630	N	87.1	Confident	93.4	Very high	58 Å²	58	29 Å²	29	31%	0.31	15%	0.153	S	C	.	.			trans	-62.7	102.2	-179.7	178.9	8.6	0	0	0	111.7	Y626 D628 N632 I633	Y626-N630 WeakPolarHBondContact OH-CB 3.46Å; D628-N630 WeakPolarHBondContact OD2-CB 3.39Å; N630-N632 PolarHBondContact O-N 3.38Å; N630-N632 VanDerWaalsContact O-N 3.13Å; N630-N632 WeakPolarHBondContact OD1-CB 3.12Å; N630-N632 PolarHBondContact OD1-N 2.81Å; N630-N632 VanDerWaalsContact OD1-N 3.12Å; N630-N632 PolarHBondContact OD1-ND2 3.48Å; N630-I633 HydrophobicContact CB-CG1 4.16Å; N630-I633 WeakPolarHBondContact O-CG1 3.43Å; N630-I633 PolarHBondContact O-N 2.84Å; N630-I633 VanDerWaalsContact O-N 3.16Å
631	M	85.3	Confident	93.3	Very high	90 Å²	90	27.5 Å²	27.5	44%	0.443	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.7	-178.1	-68.4	175.5	60.3	0	0	114.4	Q629 I633 Y664 D665	Q629-M631 PolarHBondContact O-N 3.23Å; M631-I633 PolarHBondContact O-N 3.5Å; M631-Y664 HydrophobicContact CG-CD2 4.33Å; M631-Y664 HydrophobicContact CG-CG 4.36Å; M631-D665 WeakPolarHBondContact CE-O 3.12Å
632	N	86.3	Confident	92.9	Very high	121 Å²	121	27.1 Å²	27.1	65%	0.647	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-13.7	176.5	-55.1	-73.7	0	0	0	112.6	N630 C634	N630-N632 PolarHBondContact O-N 3.38Å; N630-N632 VanDerWaalsContact O-N 3.13Å; N630-N632 WeakPolarHBondContact OD1-CB 3.12Å; N630-N632 PolarHBondContact OD1-N 2.81Å; N630-N632 VanDerWaalsContact OD1-N 3.12Å; N630-N632 PolarHBondContact OD1-ND2 3.48Å; N632-C634 PolarHBondContact O-N 3.41Å
633	I	92.3	Very high	92.4	Very high	3 Å²	3	27 Å²	27	2%	0.015	14%	0.14	C	C	.	.			trans	-72.1	131.3	177.9	-55.2	-46.2	0	0	0	110.6	L577 D579 I584 Y626 N630 M631 L663	L577-I633 HydrophobicContact CB-CG2 4.37Å; L577-I633 HydrophobicContact CD2-CG2 4.13Å; D579-I633 HydrophobicContact CB-CD1 3.42Å; D579-I633 VanDerWaalsContact CB-CD1 3.42Å; I584-I633 HydrophobicContact CD1-CD1 3.84Å; I584-I633 HydrophobicContact CD1-CG1 4.01Å; I584-I633 HydrophobicContact CD1-CG2 3.78Å; Y626-I633 HydrophobicContact CD2-CG2 4.37Å; Y626-I633 HydrophobicContact CE1-CB 4.39Å; Y626-I633 HydrophobicContact CE1-CG1 4.46Å; Y626-I633 HydrophobicContact CE2-CB 4.35Å; Y626-I633 HydrophobicContact CE2-CG1 3.92Å; Y626-I633 HydrophobicContact CE2-CG2 4.12Å; Y626-I633 VanDerWaalsContact OH-CG1 3.29Å; Y626-I633 WeakPolarHBondContact OH-CG1 3.39Å; N630-I633 HydrophobicContact CB-CG1 4.16Å; N630-I633 WeakPolarHBondContact O-CG1 3.43Å; N630-I633 PolarHBondContact O-N 2.84Å; N630-I633 VanDerWaalsContact O-N 3.16Å; M631-I633 PolarHBondContact O-N 3.5Å; I633-L663 HydrophobicContact CB-CD1 4.05Å; I633-L663 HydrophobicContact CG2-CD1 3.64Å; I633-L663 HydrophobicContact CG2-CG 4.37Å; I633-L663 WeakPolarHBondContact O-CG 3.34Å; I633-L663 PolarHBondContact O-N 2.94Å
634	C	94.9	Very high	91.7	Very high	13 Å²	13	28 Å²	28	9%	0.088	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	168.1	175.5	64.9	0	0	0	0	110.5	L577 F578 N632 I661	L577-C634 CarbonylContact C-O 3.56Å; L577-C634 WeakPolarHBondContact CA-O 3.48Å; F578-C634 PolarHBondContact N-O 2.84Å; F578-C634 PolarHBondContact O-N 2.78Å; F578-C634 PolarHBondContact O-SG 2.84Å; F578-C634 VanDerWaalsContact O-SG 3.41Å; N632-C634 PolarHBondContact O-N 3.41Å; C634-I661 CarbonylContact C-O 3.51Å; C634-I661 VanDerWaalsContact CA-O 3.25Å; C634-I661 WeakPolarHBondContact CA-O 3.31Å; C634-I661 VanDerWaalsContact CB-O 3.3Å; C634-I661 WeakPolarHBondContact CB-O 3.49Å
635	I	96.9	Very high	90.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	115.3	164.3	-56	142.7	0	0	0	106.6	W546 I550 L575 C576 L577 V624 I637 T660 I661 L663	W546-I635 HydrophobicContact CH2-CD1 4.07Å; W546-I635 HydrophobicContact CZ2-CD1 4.4Å; I550-I635 HydrophobicContact CD1-CD1 3.43Å; I550-I635 VanDerWaalsContact CD1-CD1 3.43Å; I550-I635 HydrophobicContact CD1-CG1 4.47Å; L575-I635 HydrophobicContact CD1-CG2 4.42Å; C576-I635 CarbonylContact O-C 3.56Å; C576-I635 WeakPolarHBondContact O-CA 3.41Å; L577-I635 HydrophobicContact CD2-CG1 3.77Å; V624-I635 HydrophobicContact CG1-CG1 4.37Å; I635-I637 HydrophobicContact CG2-CD1 4.37Å; I635-I637 HydrophobicContact CG2-CG1 3.94Å; I635-T660 WeakPolarHBondContact O-CA 3.47Å; I635-I661 HydrophobicContact CB-CB 4.28Å; I635-I661 HydrophobicContact CD1-CB 4.49Å; I635-I661 HydrophobicContact CD1-CG2 4.27Å; I635-I661 PolarHBondContact N-O 3.49Å; I635-I661 PolarHBondContact O-N 3.07Å; I635-L663 HydrophobicContact CD1-CD2 3.78Å; I635-L663 HydrophobicContact CG1-CD2 3.87Å
636	L	97.2	Very high	89.8	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	127.3	170	175.6	62.3	0	0	0	108.3	F501 L502 L575 C576 F578 W658 T660 P685	F501-L636 HydrophobicContact CD1-CD2 4.07Å; F501-L636 HydrophobicContact CE1-CD2 4.2Å; L502-L636 HydrophobicContact CD1-CD2 4.27Å; L502-L636 HydrophobicContact CD1-CG 4.32Å; L502-L636 HydrophobicContact CD2-CD2 4.19Å; L502-L636 HydrophobicContact CG-CD2 4.35Å; L575-L636 WeakPolarHBondContact CA-O 2.97Å; L575-L636 WeakPolarHBondContact CB-O 3.4Å; C576-L636 PolarHBondContact N-O 2.83Å; C576-L636 PolarHBondContact O-N 2.91Å; F578-L636 HydrophobicContact CB-CB 3.62Å; F578-L636 HydrophobicContact CB-CD2 4.42Å; F578-L636 HydrophobicContact CD1-CB 4.14Å; F578-L636 HydrophobicContact CD1-CD2 4.06Å; F578-L636 HydrophobicContact CD2-CD2 3.88Å; F578-L636 HydrophobicContact CE1-CD2 4.25Å; F578-L636 HydrophobicContact CE2-CD2 4.12Å; F578-L636 HydrophobicContact CG-CB 3.91Å; F578-L636 HydrophobicContact CG-CD2 3.88Å; F578-L636 HydrophobicContact CZ-CD2 4.29Å; L636-W658 HydrophobicContact CD1-CB 3.88Å; L636-W658 HydrophobicContact CD1-CD2 4.03Å; L636-W658 HydrophobicContact CD1-CE3 3.7Å; L636-W658 HydrophobicContact CD1-CG 4.08Å; L636-T660 HydrophobicContact CD1-CG2 3.95Å; L636-P685 HydrophobicContact CD1-CB 3.88Å; L636-P685 HydrophobicContact CD2-CB 3.92Å; L636-P685 HydrophobicContact CD2-CG 4.34Å
637	I	97.2	Very high	88.6	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	115.5	174.4	-53.2	-174.5	0	0	0	107.9	I552 V573 R574 L575 I635 I639 W658 I659 I661	I552-I637 HydrophobicContact CD1-CD1 4.08Å; I552-I637 HydrophobicContact CD1-CG2 4.1Å; I552-I637 HydrophobicContact CG1-CD1 4.45Å; V573-I637 HydrophobicContact CG1-CG2 3.46Å; V573-I637 VanDerWaalsContact CG1-CG2 3.46Å; R574-I637 WeakPolarHBondContact O-CA 3.41Å; L575-I637 HydrophobicContact CB-CB 4.45Å; L575-I637 HydrophobicContact CB-CG1 3.97Å; I635-I637 HydrophobicContact CG2-CD1 4.37Å; I635-I637 HydrophobicContact CG2-CG1 3.94Å; I637-I639 HydrophobicContact CG2-CD1 4.42Å; I637-W658 CarbonylContact O-C 3.49Å; I637-W658 WeakPolarHBondContact O-CA 3.49Å; I637-W658 VanDerWaalsContact O-CB 3.3Å; I637-W658 WeakPolarHBondContact O-CB 3.31Å; I637-I659 HydrophobicContact CB-CD1 4.45Å; I637-I659 HydrophobicContact CB-CG1 3.83Å; I637-I659 HydrophobicContact CD1-CD1 4.33Å; I637-I659 HydrophobicContact CG1-CG1 4.4Å; I637-I659 PolarHBondContact N-O 2.71Å; I637-I659 PolarHBondContact O-N 3.07Å; I637-I661 HydrophobicContact CD1-CD1 3.6Å; I637-I661 HydrophobicContact CG1-CD1 4.34Å
638	E	95.5	Very high	87.4	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	128.4	178.7	-168.9	175.2	-155.3	0	0	110.1	S500 F501 L502 V573 R574 Q640 S655 W658	S500-E638 PolarHBondContact OG-OE2 3.05Å; F501-E638 PolarHBondContact N-OE1 3.1Å; F501-E638 VanDerWaalsContact N-OE1 3.09Å; F501-E638 PolarHBondContact N-OE2 2.75Å; L502-E638 WeakPolarHBondContact CB-OE2 3.48Å; L502-E638 HydrophobicContact CD1-CB 4.06Å; L502-E638 PolarHBondContact N-OE2 3.09Å; V573-E638 WeakPolarHBondContact CA-O 3.27Å; R574-E638 PolarHBondContact N-O 2.88Å; R574-E638 PolarHBondContact O-N 3.14Å; E638-Q640 HydrophobicContact CB-CG 4.39Å; E638-Q640 VanDerWaalsContact CD-NE2 3.34Å; E638-Q640 HydrophobicContact CG-CG 3.85Å; E638-Q640 PolarHBondContact OE2-NE2 2.9Å; E638-S655 WeakPolarHBondContact CG-OG 3.5Å; E638-S655 WeakPolarHBondContact OE1-CB 3.46Å; E638-S655 PolarHBondContact OE1-OG 2.91Å; E638-W658 HydrophobicContact CB-CB 4.23Å; E638-W658 HydrophobicContact CG-CB 4.31Å
639	I	94.9	Very high	86.3	Confident	1 Å²	1	48 Å²	48	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	128.9	175.5	-48.9	-56.3	0	0	0	107.9	I555 L558 V573 I592 I637 L656 G657 L680 V716	I555-I639 HydrophobicContact CD1-CD1 3.78Å; I555-I639 HydrophobicContact CG1-CD1 4.37Å; L558-I639 HydrophobicContact CD1-CG2 3.96Å; L558-I639 HydrophobicContact CD2-CG2 4.31Å; V573-I639 HydrophobicContact CG2-CD1 3.75Å; I592-I639 HydrophobicContact CD1-CG2 4.26Å; I637-I639 HydrophobicContact CG2-CD1 4.42Å; I639-L656 HydrophobicContact CG2-CB 4.44Å; I639-L656 PolarHBondContact O-N 2.71Å; I639-G657 PolarHBondContact N-O 2.6Å; I639-L680 HydrophobicContact CB-CD1 4.31Å; I639-L680 HydrophobicContact CG1-CD1 3.52Å; I639-L680 HydrophobicContact CG1-CD2 4.39Å; I639-V716 HydrophobicContact CD1-CG2 4.45Å
640	Q	92.9	Very high	85.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	152.2	-166.3	-57.9	178.2	9	0	0	112.4	S500 L572 R574 E638 E653 L654	S500-Q640 PolarHBondContact OG-NE2 3.04Å; S500-Q640 PolarHBondContact OG-OE1 3.09Å; L572-Q640 HydrophobicContact CD1-CB 3.86Å; L572-Q640 HydrophobicContact CD1-CG 4.38Å; L572-Q640 HydrophobicContact CG-CB 4.1Å; L572-Q640 PolarHBondContact N-O 2.8Å; L572-Q640 PolarHBondContact O-N 2.82Å; L572-Q640 VanDerWaalsContact O-O 3.13Å; R574-Q640 VanDerWaalsContact CD-NE2 3.35Å; R574-Q640 VanDerWaalsContact CD-OE1 3.29Å; R574-Q640 VanDerWaalsContact NE-OE1 3.09Å; E638-Q640 HydrophobicContact CB-CG 4.39Å; E638-Q640 VanDerWaalsContact CD-NE2 3.34Å; E638-Q640 HydrophobicContact CG-CG 3.85Å; E638-Q640 PolarHBondContact OE2-NE2 2.9Å; Q640-E653 PolarHBondContact OE1-OE2 2.85Å; Q640-L654 CarbonylContact C-O 3.53Å; Q640-L654 WeakPolarHBondContact CA-O 3.38Å
641	I	91.1	Very high	85.7	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145.5	167.4	56.1	173.4	0	0	0	110	L561 I568 N570 C571 V643 L654 L656	L561-I641 HydrophobicContact CD1-CD1 3.61Å; L561-I641 HydrophobicContact CG-CD1 3.94Å; I568-I641 HydrophobicContact CG2-CB 4.48Å; N570-I641 WeakPolarHBondContact O-CA 3.14Å; C571-I641 HydrophobicContact CB-CG2 4.5Å; I641-V643 HydrophobicContact CB-CG1 4.38Å; I641-V643 HydrophobicContact CD1-CG1 3.77Å; I641-V643 HydrophobicContact CG1-CG1 4.05Å; I641-L654 HydrophobicContact CG1-CB 4.08Å; I641-L654 PolarHBondContact N-O 3.11Å; I641-L654 PolarHBondContact O-N 3Å; I641-L656 HydrophobicContact CD1-CD2 3.91Å; I641-L656 HydrophobicContact CD1-CG 4.47Å; I641-L656 HydrophobicContact CG1-CD2 4.12Å; I641-L656 HydrophobicContact CG1-CG 4.24Å; I641-L656 HydrophobicContact CG2-CD1 3.7Å; I641-L656 HydrophobicContact CG2-CG 4.17Å
642	V	89.6	Confident	85.6	Confident	15 Å²	15	46.9 Å²	46.9	9%	0.091	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	121.1	171.8	-173.6	0	0	0	0	107.2	L569 N570 L572 P651 I652 E653	L569-V642 PolarHBondContact N-O 3.3Å; N570-V642 HydrophobicContact CB-CB 3.75Å; N570-V642 HydrophobicContact CB-CG2 3.75Å; N570-V642 PolarHBondContact N-O 2.82Å; N570-V642 PolarHBondContact O-N 3.3Å; L572-V642 HydrophobicContact CD2-CG2 3.61Å; V642-P651 HydrophobicContact CG1-CB 3.85Å; V642-I652 WeakPolarHBondContact CA-O 3.32Å; V642-E653 HydrophobicContact CG2-CG 3.96Å
643	V	87.6	Confident	85.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	147.4	-175.1	-57.9	0	0	0	0	111.6	Y490 L566 S567 I568 I641 P651 I652 L654	Y490-V643 HydrophobicContact CD1-CG2 3.89Å; Y490-V643 HydrophobicContact CE1-CG2 4.14Å; L566-V643 HydrophobicContact CB-CB 4.33Å; L566-V643 HydrophobicContact CD1-CB 4.43Å; L566-V643 HydrophobicContact CD1-CG2 4.15Å; S567-V643 WeakPolarHBondContact O-CA 2.97Å; I568-V643 HydrophobicContact CG1-CG1 4Å; I641-V643 HydrophobicContact CB-CG1 4.38Å; I641-V643 HydrophobicContact CD1-CG1 3.77Å; I641-V643 HydrophobicContact CG1-CG1 4.05Å; V643-P651 CarbonylContact O-C 3.59Å; V643-P651 VanDerWaalsContact O-CA 3.31Å; V643-P651 WeakPolarHBondContact O-CA 3.36Å; V643-I652 HydrophobicContact CG2-CG2 3.62Å; V643-I652 PolarHBondContact N-O 2.88Å; V643-I652 PolarHBondContact O-N 2.86Å; V643-L654 HydrophobicContact CG2-CD1 3.59Å; V643-L654 HydrophobicContact CG2-CG 4.07Å
644	S	84.7	Confident	85.6	Confident	20 Å²	20	42.7 Å²	42.7	14%	0.14	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	148.5	165.1	51.7	0	0	0	0	110.3	S567	S567-S644 PolarHBondContact N-O 2.82Å; S567-S644 PolarHBondContact O-N 2.81Å; S567-S644 PolarHBondContact OG-O 2.93Å; S567-S644 VanDerWaalsContact OG-O 3.13Å; S567-S644 PolarHBondContact OG-OG 2.63Å
645	N	78.7	Confident	85.4	Confident	29 Å²	29	42.1 Å²	42.1	16%	0.155	22%	0.222	C	C	.	.			trans	-95.9	146.4	163.1	-177	-17.2	0	0	0	107.4	A489 Y490 L566 N647 S648	A489-N645 PolarHBondContact O-ND2 2.71Å; Y490-N645 HydrophobicContact CD1-CB 4.26Å; Y490-N645 HydrophobicContact CE1-CB 4.14Å; L566-N645 HydrophobicContact CD2-CB 4.07Å; N645-N647 PolarHBondContact O-N 2.79Å; N645-N647 VanDerWaalsContact O-N 3.1Å; N645-N647 PolarHBondContact OD1-N 3.08Å; N645-S648 PolarHBondContact O-N 3.06Å
646	Q	74.4	Confident	85.1	Confident	173 Å²	173	43 Å²	43	81%	0.808	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-29.7	170	-58	179.8	9.2	0	0	112.7
647	N	70.4	Confident	84.7	Confident	149 Å²	149	43 Å²	43	80%	0.797	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-2.7	178.7	-62.5	-16.3	0	0	0	114.5	N645	N645-N647 PolarHBondContact O-N 2.79Å; N645-N647 VanDerWaalsContact O-N 3.1Å; N645-N647 PolarHBondContact OD1-N 3.08Å
648	S	66.8	Low	84.5	Confident	36 Å²	36	43 Å²	43	25%	0.252	23%	0.227	S	C	.	.			trans	-124	117.6	-176.9	-177	0	0	0	0	111.9	Y490 N645 Q650	Y490-S648 WeakPolarHBondContact OH-CB 3.32Å; Y490-S648 PolarHBondContact OH-OG 2.88Å; N645-S648 PolarHBondContact O-N 3.06Å; S648-Q650 PolarHBondContact O-N 2.88Å; S648-Q650 VanDerWaalsContact O-N 3.16Å; S648-Q650 PolarHBondContact OG-N 2.87Å; S648-Q650 PolarHBondContact OG-O 2.87Å; S648-Q650 VanDerWaalsContact OG-O 3.09Å
649	N	64.5	Low	84.5	Confident	168 Å²	168	43 Å²	43	90%	0.898	23%	0.227	S	C	*	.	S	Bend	trans	-69.7	-4	175.4	-75.9	-3	0	0	0	113.9
650	Q	74.2	Confident	84.5	Confident	147 Å²	147	44 Å²	44	69%	0.687	23%	0.233	S	C	*	.	S	Bend	trans	-121.3	130.8	178.1	-69	-170.7	-14.9	0	0	111.5	Y490 S648	Y490-Q650 PolarHBondContact OH-O 2.59Å; S648-Q650 PolarHBondContact O-N 2.88Å; S648-Q650 VanDerWaalsContact O-N 3.16Å; S648-Q650 PolarHBondContact OG-N 2.87Å; S648-Q650 PolarHBondContact OG-O 2.87Å; S648-Q650 VanDerWaalsContact OG-O 3.09Å
651	P	84.1	Confident	84.5	Confident	75 Å²	75	44 Å²	44	49%	0.487	23%	0.233	S	C	.	.			trans	-74.2	152.1	171.4	33.4	-35	0	0	0	110.7	L569 V642 V643	L569-P651 HydrophobicContact CD1-CB 3.76Å; V642-P651 HydrophobicContact CG1-CB 3.85Å; V643-P651 CarbonylContact O-C 3.59Å; V643-P651 VanDerWaalsContact O-CA 3.31Å; V643-P651 WeakPolarHBondContact O-CA 3.36Å
652	I	84.4	Confident	84.6	Confident	31 Å²	31	46.7 Å²	46.7	16%	0.159	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	140.6	-179.8	-159.4	166.7	0	0	0	110	A486 Y490 L499 V642 V643 L654	A486-I652 HydrophobicContact CB-CD1 4.4Å; Y490-I652 HydrophobicContact CD1-CG2 3.83Å; Y490-I652 HydrophobicContact CD2-CG2 4.34Å; Y490-I652 HydrophobicContact CE1-CB 4.35Å; Y490-I652 HydrophobicContact CE1-CG2 3.44Å; Y490-I652 VanDerWaalsContact CE1-CG2 3.44Å; Y490-I652 HydrophobicContact CE2-CD1 4.23Å; Y490-I652 HydrophobicContact CE2-CG2 4.04Å; Y490-I652 HydrophobicContact CG-CG2 4.27Å; L499-I652 HydrophobicContact CD2-CD1 3.45Å; L499-I652 VanDerWaalsContact CD2-CD1 3.45Å; L499-I652 HydrophobicContact CD2-CG1 3.81Å; V642-I652 WeakPolarHBondContact CA-O 3.32Å; V643-I652 HydrophobicContact CG2-CG2 3.62Å; V643-I652 PolarHBondContact N-O 2.88Å; V643-I652 PolarHBondContact O-N 2.86Å; I652-L654 HydrophobicContact CG1-CD2 4.35Å; I652-L654 HydrophobicContact CG2-CD2 3.94Å; I652-L654 HydrophobicContact CG2-CG 4.13Å
653	E	89.2	Confident	84.8	Confident	36 Å²	36	46 Å²	46	17%	0.168	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.3	176.9	-53.6	-156.5	-173.4	0	0	110.5	S500 S503 R574 Q640 V642	S500-E653 PolarHBondContact N-O 3.08Å; S503-E653 WeakPolarHBondContact CB-OE2 3.45Å; R574-E653 IonicContact CZ-OE2 2.82Å; R574-E653 VanDerWaalsContact CZ-OE2 3.26Å; R574-E653 IonicContact NE-OE2 2.68Å; R574-E653 PolarHBondContact NE-OE2 2.87Å; R574-E653 VanDerWaalsContact NE-OE2 3.12Å; R574-E653 IonicContact NH2-OE1 3.81Å; R574-E653 PolarHBondContact NH2-OE1 2.82Å; R574-E653 IonicContact NH2-OE2 3.34Å; R574-E653 PolarHBondContact NH2-OE2 3.04Å; Q640-E653 PolarHBondContact OE1-OE2 2.85Å; V642-E653 HydrophobicContact CG2-CG 3.96Å
654	L	89.4	Confident	85	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.1	-177.1	-54.6	-178	0	0	0	111	L487 L493 V497 R498 L499 Q640 I641 V643 I652	L487-L654 HydrophobicContact CD2-CD2 3.45Å; L487-L654 VanDerWaalsContact CD2-CD2 3.45Å; L493-L654 HydrophobicContact CD1-CD1 4.15Å; L493-L654 HydrophobicContact CD2-CD1 4.2Å; V497-L654 HydrophobicContact CG1-CB 3.81Å; V497-L654 HydrophobicContact CG1-CD1 3.79Å; V497-L654 HydrophobicContact CG1-CG 4.32Å; R498-L654 CarbonylContact O-C 3.44Å; R498-L654 WeakPolarHBondContact O-CA 3.14Å; R498-L654 WeakPolarHBondContact O-CB 3.33Å; L499-L654 HydrophobicContact CD2-CD2 4.03Å; Q640-L654 CarbonylContact C-O 3.53Å; Q640-L654 WeakPolarHBondContact CA-O 3.38Å; I641-L654 HydrophobicContact CG1-CB 4.08Å; I641-L654 PolarHBondContact N-O 3.11Å; I641-L654 PolarHBondContact O-N 3Å; V643-L654 HydrophobicContact CG2-CD1 3.59Å; V643-L654 HydrophobicContact CG2-CG 4.07Å; I652-L654 HydrophobicContact CG1-CD2 4.35Å; I652-L654 HydrophobicContact CG2-CD2 3.94Å; I652-L654 HydrophobicContact CG2-CG 4.13Å
655	S	90.8	Very high	85.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	128.8	169.4	-156.8	0	0	0	0	109.4	R498 E638 G657	R498-S655 PolarHBondContact NE-OG 3.42Å; R498-S655 PolarHBondContact O-N 2.68Å; E638-S655 WeakPolarHBondContact CG-OG 3.5Å; E638-S655 WeakPolarHBondContact OE1-CB 3.46Å; E638-S655 PolarHBondContact OE1-OG 2.91Å; S655-G657 PolarHBondContact OG-N 3.23Å
656	L	89.3	Confident	85.5	Confident	19 Å²	19	54 Å²	54	10%	0.099	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-7.1	161.4	-65.6	-172.9	0	0	0	112.1	V497 L558 I560 I639 I641 L680	V497-L656 HydrophobicContact CG2-CD2 4.01Å; L558-L656 HydrophobicContact CD1-CD1 3.83Å; L558-L656 HydrophobicContact CG-CD1 4.3Å; I560-L656 HydrophobicContact CG1-CD1 4.32Å; I639-L656 HydrophobicContact CG2-CB 4.44Å; I639-L656 PolarHBondContact O-N 2.71Å; I641-L656 HydrophobicContact CD1-CD2 3.91Å; I641-L656 HydrophobicContact CD1-CG 4.47Å; I641-L656 HydrophobicContact CG1-CD2 4.12Å; I641-L656 HydrophobicContact CG1-CG 4.24Å; I641-L656 HydrophobicContact CG2-CD1 3.7Å; I641-L656 HydrophobicContact CG2-CG 4.17Å; L656-L680 WeakPolarHBondContact O-CD2 3.32Å
657	G	90.1	Very high	86.2	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134.7	176.7	-177.5	0	0	0	0	0	112.6	I639 S655 L680 Q681	I639-G657 PolarHBondContact N-O 2.6Å; S655-G657 PolarHBondContact OG-N 3.23Å; G657-L680 VanDerWaalsContact C-CD1 3.49Å; G657-Q681 CarbonylContact C-O 3.5Å; G657-Q681 WeakPolarHBondContact CA-O 3.38Å
658	W	92.4	Very high	86.9	Confident	1 Å²	1	46 Å²	46	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	168.5	-177.8	54.9	-87.4	0	0	0	112.7	L636 I637 E638 T660 Q681 S683 L684 P685 N688	L636-W658 HydrophobicContact CD1-CB 3.88Å; L636-W658 HydrophobicContact CD1-CD2 4.03Å; L636-W658 HydrophobicContact CD1-CE3 3.7Å; L636-W658 HydrophobicContact CD1-CG 4.08Å; I637-W658 CarbonylContact O-C 3.49Å; I637-W658 WeakPolarHBondContact O-CA 3.49Å; I637-W658 VanDerWaalsContact O-CB 3.3Å; I637-W658 WeakPolarHBondContact O-CB 3.31Å; E638-W658 HydrophobicContact CB-CB 4.23Å; E638-W658 HydrophobicContact CG-CB 4.31Å; W658-T660 HydrophobicContact CE3-CG2 3.83Å; W658-T660 HydrophobicContact CZ3-CG2 3.53Å; W658-Q681 HydrophobicContact CD2-CB 4.29Å; W658-Q681 HydrophobicContact CH2-CB 4.27Å; W658-Q681 HydrophobicContact CZ2-CB 3.93Å; W658-Q681 PolarHBondContact N-O 2.77Å; W658-Q681 VanDerWaalsContact N-O 3.09Å; W658-Q681 WeakPolarHBondContact O-CB 3.46Å; W658-Q681 PolarHBondContact O-N 3.18Å; W658-S683 PolarHBondContact NE1-O 3.38Å; W658-L684 WeakPolarHBondContact CZ2-O 3.11Å; W658-P685 HydrophobicContact CD2-CB 3.99Å; W658-P685 VanDerWaalsContact CE2-CA 3.49Å; W658-P685 HydrophobicContact CE3-CB 4.34Å; W658-P685 HydrophobicContact CG-CB 4.35Å; W658-P685 VanDerWaalsContact CZ2-CA 3.44Å; W658-P685 HydrophobicContact CZ2-CB 4.36Å; W658-N688 HydrophobicContact CH2-CB 4.26Å; W658-N688 WeakPolarHBondContact CH2-ND2 3.19Å
659	I	94.9	Very high	87.9	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147.3	167	62.5	168.1	0	0	0	109.8	I637 I661 Y678 Q679 L680 V716 V718	I637-I659 HydrophobicContact CB-CD1 4.45Å; I637-I659 HydrophobicContact CB-CG1 3.83Å; I637-I659 HydrophobicContact CD1-CD1 4.33Å; I637-I659 HydrophobicContact CG1-CG1 4.4Å; I637-I659 PolarHBondContact N-O 2.71Å; I637-I659 PolarHBondContact O-N 3.07Å; I659-I661 HydrophobicContact CD1-CD1 4.07Å; I659-I661 HydrophobicContact CD1-CG1 4.22Å; I659-Y678 HydrophobicContact CD1-CD2 4.09Å; I659-Y678 HydrophobicContact CD1-CG 3.9Å; I659-Q679 WeakPolarHBondContact CG2-O 3.5Å; I659-L680 HydrophobicContact CG2-CD1 4.24Å; I659-V716 HydrophobicContact CD1-CB 3.99Å; I659-V716 HydrophobicContact CD1-CG1 3.95Å; I659-V716 HydrophobicContact CD1-CG2 4.5Å; I659-V716 HydrophobicContact CG2-CG2 4.41Å; I659-V718 HydrophobicContact CD1-CG2 4.18Å
660	T	94.4	Very high	89.1	Confident	21 Å²	21	46 Å²	46	13%	0.129	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.6	168.7	45.1	0	0	0	0	110	I635 L636 W658	I635-T660 WeakPolarHBondContact O-CA 3.47Å; L636-T660 HydrophobicContact CD1-CG2 3.95Å; W658-T660 HydrophobicContact CE3-CG2 3.83Å; W658-T660 HydrophobicContact CZ3-CG2 3.53Å
661	I	94.7	Very high	89.8	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	105.5	177	-61.4	162.8	0	0	0	106.9	C634 I635 I637 I659 Y678 V718 F720	C634-I661 CarbonylContact C-O 3.51Å; C634-I661 VanDerWaalsContact CA-O 3.25Å; C634-I661 WeakPolarHBondContact CA-O 3.31Å; C634-I661 VanDerWaalsContact CB-O 3.3Å; C634-I661 WeakPolarHBondContact CB-O 3.49Å; I635-I661 HydrophobicContact CB-CB 4.28Å; I635-I661 HydrophobicContact CD1-CB 4.49Å; I635-I661 HydrophobicContact CD1-CG2 4.27Å; I635-I661 PolarHBondContact N-O 3.49Å; I635-I661 PolarHBondContact O-N 3.07Å; I637-I661 HydrophobicContact CD1-CD1 3.6Å; I637-I661 HydrophobicContact CG1-CD1 4.34Å; I659-I661 HydrophobicContact CD1-CD1 4.07Å; I659-I661 HydrophobicContact CD1-CG1 4.22Å; I661-Y678 HydrophobicContact CD1-CE2 4.39Å; I661-Y678 HydrophobicContact CG1-CD1 4.42Å; I661-Y678 HydrophobicContact CG1-CE1 3.96Å; I661-Y678 HydrophobicContact CG1-CE2 4.14Å; I661-V718 HydrophobicContact CD1-CB 4.47Å; I661-V718 HydrophobicContact CD1-CG1 4.2Å; I661-V718 HydrophobicContact CD1-CG2 4.22Å; I661-F720 HydrophobicContact CD1-CE1 4.35Å; I661-F720 HydrophobicContact CD1-CZ 4.06Å; I661-F720 HydrophobicContact CG1-CZ 4.47Å; I661-F720 HydrophobicContact CG2-CE1 3.82Å; I661-F720 HydrophobicContact CG2-CZ 3.5Å
662	P	93	Very high	90.2	Very high	57 Å²	57	39.9 Å²	39.9	37%	0.37	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	149.4	176.5	23	-28.6	0	0	0	110.8	I671	P662-I671 HydrophobicContact CG-CD1 4.08Å; P662-I671 WeakPolarHBondContact O-CD1 3.28Å
663	L	94	Very high	90.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-77.5	-27.1	178.2	-65.6	-176.6	0	0	0	112.6	W546 L577 Y626 I633 I635 I671	W546-L663 HydrophobicContact CD2-CD2 3.89Å; W546-L663 HydrophobicContact CE3-CD2 4.38Å; W546-L663 HydrophobicContact CG-CB 4.46Å; W546-L663 HydrophobicContact CG-CD2 4.28Å; W546-L663 HydrophobicContact CH2-CD2 4.34Å; W546-L663 HydrophobicContact CZ2-CD2 3.83Å; W546-L663 PolarHBondContact NE1-O 3.36Å; L577-L663 HydrophobicContact CD2-CD1 4.04Å; L577-L663 HydrophobicContact CD2-CD2 3.99Å; L577-L663 HydrophobicContact CD2-CG 4.42Å; Y626-L663 HydrophobicContact CD1-CD1 3.29Å; Y626-L663 HydrophobicContact CE1-CD1 3.76Å; Y626-L663 HydrophobicContact CG-CD1 3.71Å; I633-L663 HydrophobicContact CB-CD1 4.05Å; I633-L663 HydrophobicContact CG2-CD1 3.64Å; I633-L663 HydrophobicContact CG2-CG 4.37Å; I633-L663 WeakPolarHBondContact O-CG 3.34Å; I633-L663 PolarHBondContact O-N 2.94Å; I635-L663 HydrophobicContact CD1-CD2 3.78Å; I635-L663 HydrophobicContact CG1-CD2 3.87Å; L663-I671 PolarHBondContact O-N 3.13Å
664	Y	90.8	Very high	90.9	Very high	19 Å²	19	43.5 Å²	43.5	8%	0.075	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-123	158.6	-175.7	-53.9	-87.2	0	0	0	110.7	Y626 D628 M631 G668 Q669 I670	Y626-Y664 HydrophobicContact CE1-CE2 4.21Å; D628-Y664 PolarHBondContact O-OH 3.33Å; M631-Y664 HydrophobicContact CG-CD2 4.33Å; M631-Y664 HydrophobicContact CG-CG 4.36Å; Y664-G668 WeakPolarHBondContact CD1-O 3.38Å; Y664-Q669 CarbonylContact C-O 3.41Å; Y664-Q669 WeakPolarHBondContact CA-O 3.38Å; Y664-I670 HydrophobicContact CD1-CG1 3.97Å; Y664-I670 HydrophobicContact CE1-CG1 3.66Å
665	D	87.7	Confident	91.3	Very high	52 Å²	52	46.7 Å²	46.7	28%	0.278	25%	0.253	S	S	.	.			trans	-81.3	-177.3	167.7	83.5	-17.2	0	0	0	111.6	M631 N667 G668 Q669	M631-D665 WeakPolarHBondContact CE-O 3.12Å; D665-N667 PolarHBondContact O-N 3.33Å; D665-N667 WeakPolarHBondContact OD1-CA 3.33Å; D665-N667 WeakPolarHBondContact OD1-CB 3.19Å; D665-N667 PolarHBondContact OD1-N 3.27Å; D665-N667 PolarHBondContact OD2-ND2 3.27Å; D665-G668 PolarHBondContact O-N 3.27Å; D665-G668 PolarHBondContact OD1-N 2.91Å; D665-Q669 PolarHBondContact N-O 3.24Å; D665-Q669 WeakPolarHBondContact OD1-CB 3.49Å; D665-Q669 PolarHBondContact OD1-N 2.91Å
666	E	85.7	Confident	91.5	Very high	147 Å²	147	47.8 Å²	47.8	69%	0.687	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-6.2	179.4	62.4	-167.5	161.7	0	0	114.7	K693	E666-K693 IonicContact OE2-NZ 3.38Å; E666-K693 PolarHBondContact OE2-NZ 3.41Å
667	N	88.6	Confident	91.7	Very high	123 Å²	123	49.7 Å²	49.7	66%	0.658	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	0.2	173.9	-50.2	-69.5	0	0	0	112.5	D665 Q669	D665-N667 PolarHBondContact O-N 3.33Å; D665-N667 WeakPolarHBondContact OD1-CA 3.33Å; D665-N667 WeakPolarHBondContact OD1-CB 3.19Å; D665-N667 PolarHBondContact OD1-N 3.27Å; D665-N667 PolarHBondContact OD2-ND2 3.27Å; N667-Q669 VanDerWaalsContact C-N 3.33Å; N667-Q669 HydrophobicContact CB-CG 4.39Å
668	G	85.2	Confident	91.9	Very high	31 Å²	31	50.8 Å²	50.8	32%	0.32	28%	0.275	S	S	.	.	S	Bend	trans	80.4	8.1	-175.3	0	0	0	0	0	114.7	Y664 D665	Y664-G668 WeakPolarHBondContact CD1-O 3.38Å; D665-G668 PolarHBondContact O-N 3.27Å; D665-G668 PolarHBondContact OD1-N 2.91Å
669	Q	88.8	Confident	91.9	Very high	133 Å²	133	54.8 Å²	54.8	62%	0.621	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-80.1	144.4	174.8	-58.5	-169.1	9.7	0	0	110.7	Y664 D665 N667 I671	Y664-Q669 CarbonylContact C-O 3.41Å; Y664-Q669 WeakPolarHBondContact CA-O 3.38Å; D665-Q669 PolarHBondContact N-O 3.24Å; D665-Q669 WeakPolarHBondContact OD1-CB 3.49Å; D665-Q669 PolarHBondContact OD1-N 2.91Å; N667-Q669 VanDerWaalsContact C-N 3.33Å; N667-Q669 HydrophobicContact CB-CG 4.39Å; Q669-I671 PolarHBondContact O-N 3.44Å
670	I	89.5	Confident	91.7	Very high	71 Å²	71	55.6 Å²	55.6	36%	0.364	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-65.6	128.9	177.6	-67.6	162.3	0	0	0	109.5	R545 Y664	R545-I670 WeakPolarHBondContact O-CD1 3.31Å; Y664-I670 HydrophobicContact CD1-CG1 3.97Å; Y664-I670 HydrophobicContact CE1-CG1 3.66Å
671	I	90.1	Very high	91.4	Very high	19 Å²	19	55.7 Å²	55.7	10%	0.097	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-53.7	128.8	-178.2	-66.4	-163.8	0	0	0	110.8	K548 P662 L663 Q669	K548-I671 PolarHBondContact NZ-O 3.35Å; P662-I671 HydrophobicContact CG-CD1 4.08Å; P662-I671 WeakPolarHBondContact O-CD1 3.28Å; L663-I671 PolarHBondContact O-N 3.13Å; Q669-I671 PolarHBondContact O-N 3.44Å
672	P	91.5	Very high	90.7	Very high	75 Å²	75	61 Å²	61	49%	0.487	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-65.5	164	-174.2	25.3	-35.5	0	0	0	113.5	K674	P672-K674 HydrophobicContact CG-CD 4.31Å; P672-K674 PolarHBondContact O-N 3.27Å; P672-K674 VanDerWaalsContact O-N 3.11Å
673	N	94.4	Very high	90	Very high	80 Å²	80	60.1 Å²	60.1	43%	0.428	32%	0.32	S	S	.	.	S	Bend	trans	-72.7	102	175.7	-68.5	-21.8	0	0	0	109.9	K548 F720 Q722	K548-N673 WeakPolarHBondContact CD-OD1 3.31Å; K548-N673 WeakPolarHBondContact CE-OD1 3.45Å; K548-N673 PolarHBondContact NZ-OD1 3.14Å; N673-F720 CarbonylContact C-O 3.57Å; N673-F720 WeakPolarHBondContact CA-O 3.4Å; N673-F720 WeakPolarHBondContact CB-O 3.3Å; N673-Q722 PolarHBondContact ND2-N 2.81Å
674	K	94.5	Very high	89.2	Confident	63 Å²	63	60.8 Å²	60.8	27%	0.274	32%	0.324	S	S	.	.			trans	-149.8	169.9	178.6	59	178.6	176.3	-177.7	0	112.1	P672 D698 F720	P672-K674 HydrophobicContact CG-CD 4.31Å; P672-K674 PolarHBondContact O-N 3.27Å; P672-K674 VanDerWaalsContact O-N 3.11Å; K674-D698 IonicContact NZ-OD1 3.87Å; K674-F720 PolarHBondContact N-O 3.18Å; K674-F720 WeakPolarHBondContact O-CD2 3.37Å; K674-F720 PolarHBondContact O-N 3.07Å
675	T	96.8	Very high	88.3	Confident	66 Å²	66	60.2 Å²	60.2	41%	0.405	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	138.6	162.7	-65.1	0	0	0	0	109.3	Q553 T717 V718	Q553-T675 VanDerWaalsContact OE1-CG2 3.24Å; Q553-T675 PolarHBondContact OE1-OG1 3.33Å; T675-T717 HydrophobicContact CG2-CG2 3.4Å; T675-T717 VanDerWaalsContact CG2-CG2 3.4Å; T675-V718 CarbonylContact C-O 3.59Å; T675-V718 WeakPolarHBondContact CA-O 3.46Å
676	C	94.7	Very high	87.5	Confident	23 Å²	23	58.5 Å²	58.5	16%	0.155	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	142.7	173.8	-72.8	0	0	0	0	110.5	Y678 T717 V718	C676-Y678 HydrophobicContact CB-CD2 4.23Å; C676-Y678 HydrophobicContact CB-CE2 3.48Å; C676-Y678 VanDerWaalsContact CB-CE2 3.48Å; C676-T717 WeakPolarHBondContact O-CA 3.43Å; C676-V718 PolarHBondContact N-O 2.73Å; C676-V718 PolarHBondContact O-N 3.26Å
677	D	94.2	Very high	86.6	Confident	59 Å²	59	55.8 Å²	55.8	32%	0.316	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.2	173.9	-69.1	-39.3	0	0	0	107.7	R704 T717	D677-R704 IonicContact OD2-CZ 2.76Å; D677-R704 IonicContact OD2-NE 2.66Å; D677-R704 IonicContact OD2-NH2 2.72Å; D677-R704 PolarHBondContact OD2-NH2 3.43Å; D677-T717 VanDerWaalsContact OD1-CB 3.31Å; D677-T717 WeakPolarHBondContact OD1-CB 3.43Å; D677-T717 WeakPolarHBondContact OD1-CG2 3.33Å; D677-T717 PolarHBondContact OD1-OG1 3.06Å
678	Y	94.2	Very high	85	Confident	23 Å²	23	51.8 Å²	51.8	9%	0.09	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.3	-178.7	-64.4	-94.4	0	0	0	111	I659 I661 C676 Q715 V716 V718 F720	I659-Y678 HydrophobicContact CD1-CD2 4.09Å; I659-Y678 HydrophobicContact CD1-CG 3.9Å; I661-Y678 HydrophobicContact CD1-CE2 4.39Å; I661-Y678 HydrophobicContact CG1-CD1 4.42Å; I661-Y678 HydrophobicContact CG1-CE1 3.96Å; I661-Y678 HydrophobicContact CG1-CE2 4.14Å; C676-Y678 HydrophobicContact CB-CD2 4.23Å; C676-Y678 HydrophobicContact CB-CE2 3.48Å; C676-Y678 VanDerWaalsContact CB-CE2 3.48Å; Y678-Q715 CarbonylContact O-C 3.6Å; Y678-Q715 WeakPolarHBondContact O-CA 3.35Å; Y678-V716 PolarHBondContact N-O 2.81Å; Y678-V716 PolarHBondContact O-N 3.11Å; Y678-V718 HydrophobicContact CD2-CB 4.28Å; Y678-V718 HydrophobicContact CD2-CG2 4.13Å; Y678-V718 HydrophobicContact CE2-CB 4.07Å; Y678-V718 HydrophobicContact CE2-CG2 4.35Å; Y678-F720 HydrophobicContact CE2-CE2 4.35Å; Y678-F720 HydrophobicContact CE2-CZ 4.29Å
679	Q	92.3	Very high	82.8	Confident	85 Å²	85	53.6 Å²	53.6	40%	0.397	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	131	173.4	179.7	171.4	-31.2	0	0	110.7	I659	I659-Q679 WeakPolarHBondContact CG2-O 3.5Å
680	L	91	Very high	80.4	Confident	19 Å²	19	56.4 Å²	56.4	10%	0.099	31%	0.308	C	S	.	.			trans	-66.5	136.4	177.1	-163.4	70.3	0	0	0	111.3	I639 L656 G657 I659 T714 V716	I639-L680 HydrophobicContact CB-CD1 4.31Å; I639-L680 HydrophobicContact CG1-CD1 3.52Å; I639-L680 HydrophobicContact CG1-CD2 4.39Å; L656-L680 WeakPolarHBondContact O-CD2 3.32Å; G657-L680 VanDerWaalsContact C-CD1 3.49Å; I659-L680 HydrophobicContact CG2-CD1 4.24Å; L680-T714 HydrophobicContact CB-CG2 4.27Å; L680-T714 WeakPolarHBondContact CB-O 3.21Å; L680-T714 HydrophobicContact CD2-CG2 3.9Å; L680-T714 PolarHBondContact N-O 2.83Å; L680-V716 HydrophobicContact CD1-CG2 4.24Å
681	Q	88.7	Confident	77.9	Confident	24 Å²	24	56 Å²	56	11%	0.112	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-104.3	136.9	-178	-56.5	-172.1	26.7	0	0	111.9	G657 W658 N688	G657-Q681 CarbonylContact C-O 3.5Å; G657-Q681 WeakPolarHBondContact CA-O 3.38Å; W658-Q681 HydrophobicContact CD2-CB 4.29Å; W658-Q681 HydrophobicContact CH2-CB 4.27Å; W658-Q681 HydrophobicContact CZ2-CB 3.93Å; W658-Q681 PolarHBondContact N-O 2.77Å; W658-Q681 VanDerWaalsContact N-O 3.09Å; W658-Q681 WeakPolarHBondContact O-CB 3.46Å; W658-Q681 PolarHBondContact O-N 3.18Å; Q681-N688 PolarHBondContact OE1-ND2 2.92Å
682	D	78.2	Confident	75.2	Confident	112 Å²	112	59.7 Å²	59.7	60%	0.599	34%	0.341	S	S	*	.			trans	-103.3	-4.4	-175.7	58.1	-11.6	0	0	0	113.9	R498	R498-D682 PolarHBondContact NH1-O 2.82Å
683	S	78.6	Confident	72.7	Confident	38 Å²	38	63.4 Å²	63.4	27%	0.266	35%	0.35	S	S	.	.	S	Bend	trans	-77.2	-176.8	166.5	38.6	0	0	0	0	111.8	R498 W658 N688	R498-S683 PolarHBondContact NH1-O 3.04Å; R498-S683 VanDerWaalsContact NH1-O 3.14Å; R498-S683 PolarHBondContact NH2-O 2.93Å; W658-S683 PolarHBondContact NE1-O 3.38Å; S683-N688 PolarHBondContact OG-ND2 3.07Å
684	L	76.9	Confident	70.1	Confident	15 Å²	15	62.9 Å²	62.9	8%	0.079	35%	0.349	C	S	.	.			trans	-90.2	146.5	174	-69.4	165.4	0	0	0	112.4	T480 R481 R498 W658 F686 E687	T480-L684 HydrophobicContact CG2-CD2 3.48Å; T480-L684 VanDerWaalsContact CG2-CD2 3.48Å; R481-L684 HydrophobicContact CG-CD1 3.5Å; R481-L684 VanDerWaalsContact CG-CD1 3.5Å; R498-L684 VanDerWaalsContact CD-CD2 3.41Å; W658-L684 WeakPolarHBondContact CZ2-O 3.11Å; L684-F686 HydrophobicContact CB-CD2 4.14Å; L684-F686 HydrophobicContact CB-CE1 4.22Å; L684-F686 HydrophobicContact CB-CE2 3.6Å; L684-F686 HydrophobicContact CB-CZ 3.66Å; L684-F686 HydrophobicContact CD1-CE2 3.76Å; L684-F686 HydrophobicContact CD1-CZ 3.79Å; L684-F686 HydrophobicContact CD2-CZ 3.98Å; L684-F686 HydrophobicContact CG-CE2 4.18Å; L684-F686 HydrophobicContact CG-CZ 4.02Å; L684-F686 PolarHBondContact O-N 3.32Å; L684-E687 HydrophobicContact CB-CB 4.35Å; L684-E687 HydrophobicContact CB-CG 3.93Å; L684-E687 WeakPolarHBondContact CB-OE2 3.43Å; L684-E687 PolarHBondContact O-N 2.99Å
685	P	72.7	Confident	67.3	Low	6 Å²	6	63.5 Å²	63.5	4%	0.039	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.2	-170.8	22.6	-32.6	0	0	0	115.2	F501 F578 L636 W658	F501-P685 HydrophobicContact CB-CG 4.22Å; F501-P685 HydrophobicContact CD1-CG 3.91Å; F501-P685 HydrophobicContact CE1-CG 4.49Å; F501-P685 HydrophobicContact CG-CG 4.05Å; F578-P685 HydrophobicContact CE1-CB 4.23Å; F578-P685 HydrophobicContact CZ-CB 4.26Å; L636-P685 HydrophobicContact CD1-CB 3.88Å; L636-P685 HydrophobicContact CD2-CB 3.92Å; L636-P685 HydrophobicContact CD2-CG 4.34Å; W658-P685 HydrophobicContact CD2-CB 3.99Å; W658-P685 VanDerWaalsContact CE2-CA 3.49Å; W658-P685 HydrophobicContact CE3-CB 4.34Å; W658-P685 HydrophobicContact CG-CB 4.35Å; W658-P685 VanDerWaalsContact CZ2-CA 3.44Å; W658-P685 HydrophobicContact CZ2-CB 4.36Å
686	F	72	Confident	64.5	Low	16 Å²	16	64.5 Å²	64.5	7%	0.07	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-4.9	179.3	42.4	-99.6	0	0	0	113.7	Q477 F501 G580 L684	Q477-F686 HydrophobicContact CB-CD2 4.1Å; Q477-F686 HydrophobicContact CB-CE1 4.16Å; Q477-F686 HydrophobicContact CB-CE2 3.65Å; Q477-F686 HydrophobicContact CB-CZ 3.68Å; Q477-F686 VanDerWaalsContact CD-CG 3.49Å; Q477-F686 HydrophobicContact CG-CB 4.39Å; Q477-F686 HydrophobicContact CG-CD1 3.66Å; Q477-F686 HydrophobicContact CG-CD2 3.56Å; Q477-F686 HydrophobicContact CG-CE1 3.72Å; Q477-F686 HydrophobicContact CG-CE2 3.62Å; Q477-F686 HydrophobicContact CG-CG 3.58Å; Q477-F686 HydrophobicContact CG-CZ 3.69Å; F501-F686 HydrophobicContact CD2-CD1 4.43Å; F501-F686 AromaticContact CD2-CE1 3.89Å; F501-F686 HydrophobicContact CD2-CE1 3.89Å; F501-F686 HydrophobicContact CE2-CD1 4.25Å; F501-F686 HydrophobicContact CE2-CE1 4.06Å; F501-F686 HydrophobicContact CG-CE1 4.49Å; G580-F686 WeakPolarHBondContact O-CB 3.42Å; L684-F686 HydrophobicContact CB-CD2 4.14Å; L684-F686 HydrophobicContact CB-CE1 4.22Å; L684-F686 HydrophobicContact CB-CE2 3.6Å; L684-F686 HydrophobicContact CB-CZ 3.66Å; L684-F686 HydrophobicContact CD1-CE2 3.76Å; L684-F686 HydrophobicContact CD1-CZ 3.79Å; L684-F686 HydrophobicContact CD2-CZ 3.98Å; L684-F686 HydrophobicContact CG-CE2 4.18Å; L684-F686 HydrophobicContact CG-CZ 4.02Å; L684-F686 PolarHBondContact O-N 3.32Å
687	E	65.9	Low	61.6	Low	90 Å²	90	71.2 Å²	71.2	42%	0.421	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-27.4	178.7	-73.6	-179.1	157.3	0	0	112.5	R481 L684 G689	R481-E687 IonicContact CZ-OE1 2.66Å; R481-E687 IonicContact NE-OE1 3.39Å; R481-E687 PolarHBondContact NE-OE1 2.84Å; R481-E687 IonicContact NH2-OE1 3.36Å; R481-E687 PolarHBondContact NH2-OE1 3.03Å; L684-E687 HydrophobicContact CB-CB 4.35Å; L684-E687 HydrophobicContact CB-CG 3.93Å; L684-E687 WeakPolarHBondContact CB-OE2 3.43Å; L684-E687 PolarHBondContact O-N 2.99Å; E687-G689 PolarHBondContact O-N 3.07Å
688	N	54.3	Low	58.7	Low	39 Å²	39	74.3 Å²	74.3	21%	0.209	41%	0.41	C	S	.	.	S	Bend	trans	-78.1	55.9	166	-66.8	-38.5	0	0	0	110.4	W658 Q681 S683 K690 N692	W658-N688 HydrophobicContact CH2-CB 4.26Å; W658-N688 WeakPolarHBondContact CH2-ND2 3.19Å; Q681-N688 PolarHBondContact OE1-ND2 2.92Å; S683-N688 PolarHBondContact OG-ND2 3.07Å; N688-K690 CarbonylContact C-O 3.58Å; N688-K690 CarbonylContact O-C 3.56Å; N688-K690 PolarHBondContact O-N 3.23Å; N688-K690 VanDerWaalsContact O-O 3.06Å; N688-N692 HydrophobicContact CB-CB 4.22Å
689	G	40.7	Very low	56	Low	70 Å²	70	76.8 Å²	76.8	72%	0.722	43%	0.428	S	S	*	.			trans	-66.8	4.8	-172.5	0	0	0	0	0	116.2	E687	E687-G689 PolarHBondContact O-N 3.07Å
690	K	38	Very low	53.5	Low	191 Å²	191	76.3 Å²	76.3	83%	0.83	43%	0.434	S	S	*	.	S	Bend	trans	-127	125.2	145.5	-68.1	-177.8	179.9	-179.7	0	104.9	N688 N692	N688-K690 CarbonylContact C-O 3.58Å; N688-K690 CarbonylContact O-C 3.56Å; N688-K690 PolarHBondContact O-N 3.23Å; N688-K690 VanDerWaalsContact O-O 3.06Å; K690-N692 WeakPolarHBondContact O-CA 3.26Å; K690-N692 PolarHBondContact O-N 2.82Å
691	G	36.3	Very low	51.2	Low	63 Å²	63	82.8 Å²	82.8	65%	0.649	47%	0.468	S	S	*	.			trans	-45.5	104	-175.9	0	0	0	0	0	110.2	K693	G691-K693 PolarHBondContact O-N 3.14Å; G691-K693 VanDerWaalsContact O-N 3.15Å
692	N	34.3	Very low	48.7	Very low	96 Å²	96	89.8 Å²	89.8	51%	0.513	50%	0.498	S	S	.	.			trans	-61.9	125.1	-167.3	-165.1	-8.5	0	0	0	106.5	N688 K690 T694	N688-N692 HydrophobicContact CB-CB 4.22Å; K690-N692 WeakPolarHBondContact O-CA 3.26Å; K690-N692 PolarHBondContact O-N 2.82Å; N692-T694 PolarHBondContact O-N 2.96Å
693	K	39	Very low	47.1	Very low	154 Å²	154	86 Å²	86	67%	0.67	48%	0.48	S	S	*	.			trans	-69.1	79.8	-171.5	-72.2	-165.7	-179	-172.1	0	109.4	E666 G691 S695	E666-K693 IonicContact OE2-NZ 3.38Å; E666-K693 PolarHBondContact OE2-NZ 3.41Å; G691-K693 PolarHBondContact O-N 3.14Å; G691-K693 VanDerWaalsContact O-N 3.15Å; K693-S695 PolarHBondContact O-N 2.78Å
694	T	39.3	Very low	45.2	Very low	69 Å²	69	90.3 Å²	90.3	42%	0.423	49%	0.491	S	S	.	.			trans	-61.6	77.3	153.7	52.6	0	0	0	0	105.5	N692 V696	N692-T694 PolarHBondContact O-N 2.96Å; T694-V696 PolarHBondContact O-N 2.69Å
695	S	35	Very low	43.4	Very low	76 Å²	76	95.7 Å²	95.7	53%	0.531	52%	0.517	S	S	.	.			trans	-54.8	131.9	-165.8	177.6	0	0	0	0	107.9	K693 K697	K693-S695 PolarHBondContact O-N 2.78Å; S695-K697 PolarHBondContact O-N 2.84Å
696	V	37.9	Very low	41.8	Very low	86 Å²	86	101.4 Å²	101.4	52%	0.521	54%	0.543	S	S	.	.			trans	-70	64.4	163.7	-173.2	0	0	0	0	107	T694 D698	T694-V696 PolarHBondContact O-N 2.69Å; V696-D698 VanDerWaalsContact C-N 3.32Å; V696-D698 PolarHBondContact O-N 3.16Å
697	K	33.5	Very low	40.3	Very low	164 Å²	164	104.5 Å²	104.5	71%	0.713	56%	0.56	S	S	*	*			trans	-65.7	101.4	160	-77.8	177.7	178.9	175.6	0	104.1	S695 V699	S695-K697 PolarHBondContact O-N 2.84Å; K697-V699 WeakPolarHBondContact O-CG2 3.25Å; K697-V699 PolarHBondContact O-N 2.77Å
698	D	34.4	Very low	39.1	Very low	124 Å²	124	107 Å²	107	66%	0.663	58%	0.576	S	S	*	*			trans	-50.7	118.4	172.3	-74.2	-49.7	0	0	0	108	K674 V696 S700	K674-D698 IonicContact NZ-OD1 3.87Å; V696-D698 VanDerWaalsContact C-N 3.32Å; V696-D698 PolarHBondContact O-N 3.16Å; D698-S700 PolarHBondContact O-N 2.94Å
699	V	37.6	Very low	38.5	Very low	75 Å²	75	111 Å²	111	46%	0.455	60%	0.597	S	S	.	*			trans	-78.2	75.8	-162.3	-173.9	0	0	0	0	108.7	K697 S703 R704	K697-V699 WeakPolarHBondContact O-CG2 3.25Å; K697-V699 PolarHBondContact O-N 2.77Å; V699-S703 WeakPolarHBondContact CA-OG 3.39Å; V699-S703 WeakPolarHBondContact CG1-OG 3.36Å; V699-R704 HydrophobicContact CG1-CB 3.79Å; V699-R704 HydrophobicContact CG1-CG 4.08Å
700	S	39.9	Very low	38.6	Very low	75 Å²	75	115.4 Å²	115.4	52%	0.524	60%	0.596	S	S	.	*			trans	-50.4	142.9	171	67.7	0	0	0	0	109.2	D698 K702 S703 R704	D698-S700 PolarHBondContact O-N 2.94Å; S700-K702 PolarHBondContact O-N 2.79Å; S700-S703 PolarHBondContact N-OG 3.43Å; S700-S703 PolarHBondContact O-N 2.78Å; S700-S703 PolarHBondContact O-OG 2.79Å; S700-R704 PolarHBondContact O-N 3.19Å
701	L	41.2	Very low	39.1	Very low	155 Å²	155	109 Å²	109	81%	0.812	57%	0.571	S	S	*	*	H	α-helix	trans	-51	-33	-169.7	-76.4	161.5	0	0	0	113.9	R704 M705	L701-R704 PolarHBondContact O-N 2.93Å; L701-M705 PolarHBondContact O-N 3.23Å
702	K	37.6	Very low	40.4	Very low	172 Å²	172	115 Å²	115	75%	0.748	58%	0.58	S	S	*	*	H	α-helix	trans	-59.2	-48.3	173.2	-68.7	-176	177.3	179.4	0	112.7	S700 R704 M705 Q706	S700-K702 PolarHBondContact O-N 2.79Å; K702-R704 PolarHBondContact O-N 3.25Å; K702-M705 PolarHBondContact O-N 3.03Å; K702-Q706 WeakPolarHBondContact O-CB 3.1Å; K702-Q706 PolarHBondContact O-N 2.77Å
703	S	43.3	Very low	42.4	Very low	33 Å²	33	112.8 Å²	112.8	23%	0.231	57%	0.569	C	S	.	*	H	α-helix	trans	-66.5	-34.6	-179.5	64.9	0	0	0	0	112.9	V699 S700 Q706 N707	V699-S703 WeakPolarHBondContact CA-OG 3.39Å; V699-S703 WeakPolarHBondContact CG1-OG 3.36Å; S700-S703 PolarHBondContact N-OG 3.43Å; S700-S703 PolarHBondContact O-N 2.78Å; S700-S703 PolarHBondContact O-OG 2.79Å; S703-Q706 PolarHBondContact O-N 2.82Å; S703-N707 WeakPolarHBondContact O-CB 3.24Å; S703-N707 PolarHBondContact O-N 2.86Å
704	R	40.4	Very low	44.7	Very low	127 Å²	127	106.5 Å²	106.5	48%	0.479	54%	0.544	S	S	.	.	H	α-helix	trans	-62.9	-44.1	173.8	-150.1	175.9	-156.8	-179.5	10.3	111.7	D677 V699 S700 L701 K702 L708	D677-R704 IonicContact OD2-CZ 2.76Å; D677-R704 IonicContact OD2-NE 2.66Å; D677-R704 IonicContact OD2-NH2 2.72Å; D677-R704 PolarHBondContact OD2-NH2 3.43Å; V699-R704 HydrophobicContact CG1-CB 3.79Å; V699-R704 HydrophobicContact CG1-CG 4.08Å; S700-R704 PolarHBondContact O-N 3.19Å; L701-R704 PolarHBondContact O-N 2.93Å; K702-R704 PolarHBondContact O-N 3.25Å; R704-L708 WeakPolarHBondContact O-CB 3.43Å; R704-L708 PolarHBondContact O-N 3.05Å; R704-L708 VanDerWaalsContact O-N 3.08Å
705	M	37.7	Very low	47.2	Very low	129 Å²	129	104.6 Å²	104.6	64%	0.635	53%	0.53	S	S	*	.	H	α-helix	trans	-69.8	-33.7	178.7	-162.2	166.8	73.9	0	0	112.3	L701 K702 L709	L701-M705 PolarHBondContact O-N 3.23Å; K702-M705 PolarHBondContact O-N 3.03Å; M705-L709 WeakPolarHBondContact O-CG 3.44Å; M705-L709 PolarHBondContact O-N 2.85Å
706	Q	38.7	Very low	50.1	Low	125 Å²	125	101 Å²	101	58%	0.584	51%	0.505	S	S	*	.	H	α-helix	trans	-71.8	-41	175.9	-164.4	166.9	7.4	0	0	112.2	K702 S703 L708 L709 F710	K702-Q706 WeakPolarHBondContact O-CB 3.1Å; K702-Q706 PolarHBondContact O-N 2.77Å; S703-Q706 PolarHBondContact O-N 2.82Å; Q706-L708 PolarHBondContact O-N 2.88Å; Q706-L709 PolarHBondContact O-N 3.36Å; Q706-F710 HydrophobicContact CG-CD2 4.29Å; Q706-F710 WeakPolarHBondContact O-CD2 3.28Å; Q706-F710 PolarHBondContact O-N 2.82Å
707	N	42.2	Very low	53	Low	81 Å²	81	97.2 Å²	97.2	43%	0.433	48%	0.482	S	S	.	.	H	α-helix	trans	-62.2	-41.9	172.9	-75.5	-4.3	0	0	0	111.7	S703 L709 F710 N711	S703-N707 WeakPolarHBondContact O-CB 3.24Å; S703-N707 PolarHBondContact O-N 2.86Å; N707-L709 PolarHBondContact O-N 2.93Å; N707-F710 PolarHBondContact O-N 2.88Å; N707-N711 PolarHBondContact O-N 3.04Å
708	L	40.8	Very low	56	Low	142 Å²	142	89.4 Å²	89.4	74%	0.743	45%	0.448	S	S	*	.	H	α-helix	trans	-59.5	-25.8	176.5	-94.3	161.7	0	0	0	114.5	R704 Q706	R704-L708 WeakPolarHBondContact O-CB 3.43Å; R704-L708 PolarHBondContact O-N 3.05Å; R704-L708 VanDerWaalsContact O-N 3.08Å; Q706-L708 PolarHBondContact O-N 2.88Å
709	L	41	Very low	59	Low	124 Å²	124	86.7 Å²	86.7	65%	0.649	43%	0.428	S	S	*	.	H	α-helix	trans	-91.3	-23.7	-178.7	-73.2	167.7	0	0	0	113.8	M705 Q706 N707	M705-L709 WeakPolarHBondContact O-CG 3.44Å; M705-L709 PolarHBondContact O-N 2.85Å; Q706-L709 PolarHBondContact O-N 3.36Å; N707-L709 PolarHBondContact O-N 2.93Å
710	F	42.7	Very low	61.9	Low	162 Å²	162	83.4 Å²	83.4	71%	0.711	41%	0.408	S	S	*	.	H	α-helix	trans	-130.4	-23.5	-168	-63.1	-69.9	0	0	0	115.8	Q706 N707	Q706-F710 HydrophobicContact CG-CD2 4.29Å; Q706-F710 WeakPolarHBondContact O-CD2 3.28Å; Q706-F710 PolarHBondContact O-N 2.82Å; N707-F710 PolarHBondContact O-N 2.88Å
711	N	48.2	Very low	64.6	Low	58 Å²	58	81.2 Å²	81.2	31%	0.31	39%	0.393	S	S	.	.			trans	-93.6	111.5	179.2	-106.1	-5.9	0	0	0	111.6	Q557 N707 T713	Q557-N711 PolarHBondContact NE2-O 2.81Å; N707-N711 PolarHBondContact O-N 3.04Å; N711-T713 VanDerWaalsContact C-N 3.29Å
712	K	63.5	Low	67.1	Low	189 Å²	189	77.9 Å²	77.9	82%	0.822	37%	0.373	S	S	*	.			trans	-85.8	4	166.7	-70.5	-172.5	176.9	-177.3	0	113.3
713	T	76.4	Confident	69.9	Low	49 Å²	49	70.1 Å²	70.1	30%	0.301	34%	0.34	S	S	.	.	S	Bend	trans	-79.1	134.9	-172.6	49	0	0	0	0	111.8	N711 Q715	N711-T713 VanDerWaalsContact C-N 3.29Å; T713-Q715 WeakPolarHBondContact O-CG 3.44Å; T713-Q715 PolarHBondContact O-N 3.03Å; T713-Q715 PolarHBondContact O-NE2 3.4Å; T713-Q715 PolarHBondContact OG1-NE2 3.34Å
714	T	87.3	Confident	72.4	Confident	22 Å²	22	72.4 Å²	72.4	14%	0.135	35%	0.35	C	S	.	.			trans	-52.2	130.4	-179.4	-45.9	0	0	0	0	111.8	I555 T556 Q557 L558 L680	I555-T714 HydrophobicContact CG2-CG2 3.77Å; T556-T714 WeakPolarHBondContact O-CA 3.41Å; Q557-T714 PolarHBondContact O-OG1 3.36Å; L558-T714 HydrophobicContact CB-CG2 4.1Å; L558-T714 HydrophobicContact CD1-CG2 3.81Å; L680-T714 HydrophobicContact CB-CG2 4.27Å; L680-T714 WeakPolarHBondContact CB-O 3.21Å; L680-T714 HydrophobicContact CD2-CG2 3.9Å; L680-T714 PolarHBondContact N-O 2.83Å
715	Q	92.7	Very high	75	Confident	29 Å²	29	75 Å²	75	14%	0.136	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	143.6	177.3	-55.1	-61.8	-50	0	0	110.6	I555 T556 Y678 T713	I555-Q715 CarbonylContact C-O 3.47Å; I555-Q715 VanDerWaalsContact CA-O 3.32Å; I555-Q715 WeakPolarHBondContact CA-O 3.49Å; T556-Q715 PolarHBondContact N-O 2.97Å; T556-Q715 PolarHBondContact O-N 2.88Å; Y678-Q715 CarbonylContact O-C 3.6Å; Y678-Q715 WeakPolarHBondContact O-CA 3.35Å; T713-Q715 WeakPolarHBondContact O-CG 3.44Å; T713-Q715 PolarHBondContact O-N 3.03Å; T713-Q715 PolarHBondContact O-NE2 3.4Å; T713-Q715 PolarHBondContact OG1-NE2 3.34Å
716	V	96	Very high	77.5	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	112.8	176.2	-174.4	0	0	0	0	108.3	I552 I555 I639 I659 Y678 L680 V718	I552-V716 HydrophobicContact CG2-CG1 3.95Å; I555-V716 HydrophobicContact CG1-CG1 4.15Å; I555-V716 HydrophobicContact CG1-CG2 4.29Å; I555-V716 HydrophobicContact CG2-CG2 4.26Å; I639-V716 HydrophobicContact CD1-CG2 4.45Å; I659-V716 HydrophobicContact CD1-CB 3.99Å; I659-V716 HydrophobicContact CD1-CG1 3.95Å; I659-V716 HydrophobicContact CD1-CG2 4.5Å; I659-V716 HydrophobicContact CG2-CG2 4.41Å; Y678-V716 PolarHBondContact N-O 2.81Å; Y678-V716 PolarHBondContact O-N 3.11Å; L680-V716 HydrophobicContact CD1-CG2 4.24Å; V716-V718 HydrophobicContact CG1-CG2 3.88Å
717	T	97.3	Very high	80.2	Confident	6 Å²	6	70.9 Å²	70.9	4%	0.037	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	118.5	176.4	-56.5	0	0	0	0	109.5	I552 Q553 K554 T675 C676 D677	I552-T717 CarbonylContact C-O 3.58Å; Q553-T717 HydrophobicContact CB-CG2 4.08Å; Q553-T717 HydrophobicContact CG-CG2 4.4Å; Q553-T717 PolarHBondContact N-O 2.76Å; K554-T717 WeakPolarHBondContact CE-OG1 3.25Å; K554-T717 HydrophobicContact CG-CG2 4.46Å; K554-T717 WeakPolarHBondContact CG-OG1 3.48Å; K554-T717 PolarHBondContact O-N 3.29Å; T675-T717 HydrophobicContact CG2-CG2 3.4Å; T675-T717 VanDerWaalsContact CG2-CG2 3.4Å; C676-T717 WeakPolarHBondContact O-CA 3.43Å; D677-T717 VanDerWaalsContact OD1-CB 3.31Å; D677-T717 WeakPolarHBondContact OD1-CB 3.43Å; D677-T717 WeakPolarHBondContact OD1-CG2 3.33Å; D677-T717 PolarHBondContact OD1-OG1 3.06Å
718	V	97.9	Very high	82.7	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.5	179.4	-172.5	0	0	0	0	110.4	I550 S551 I552 I659 I661 T675 C676 Y678 V716 F720	I550-V718 HydrophobicContact CG2-CG1 3.41Å; I550-V718 VanDerWaalsContact CG2-CG1 3.41Å; S551-V718 WeakPolarHBondContact O-CA 3.4Å; I552-V718 HydrophobicContact CG1-CG2 4.49Å; I659-V718 HydrophobicContact CD1-CG2 4.18Å; I661-V718 HydrophobicContact CD1-CB 4.47Å; I661-V718 HydrophobicContact CD1-CG1 4.2Å; I661-V718 HydrophobicContact CD1-CG2 4.22Å; T675-V718 CarbonylContact C-O 3.59Å; T675-V718 WeakPolarHBondContact CA-O 3.46Å; C676-V718 PolarHBondContact N-O 2.73Å; C676-V718 PolarHBondContact O-N 3.26Å; Y678-V718 HydrophobicContact CD2-CB 4.28Å; Y678-V718 HydrophobicContact CD2-CG2 4.13Å; Y678-V718 HydrophobicContact CE2-CB 4.07Å; Y678-V718 HydrophobicContact CE2-CG2 4.35Å; V716-V718 HydrophobicContact CG1-CG2 3.88Å; V718-F720 HydrophobicContact CB-CZ 4.24Å; V718-F720 HydrophobicContact CG1-CE1 3.84Å; V718-F720 HydrophobicContact CG1-CE2 4.39Å; V718-F720 HydrophobicContact CG1-CZ 3.74Å
719	R	97.7	Very high	85.1	Confident	67 Å²	67	65 Å²	65	25%	0.253	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.7	175.2	164.9	-176.4	67	95.6	-7.8	110.4	I550 S551 Q553 D621 S721	I550-R719 CarbonylContact C-O 3.54Å; I550-R719 WeakPolarHBondContact CA-O 3.19Å; S551-R719 VanDerWaalsContact CB-CZ 3.46Å; S551-R719 PolarHBondContact N-O 3.06Å; S551-R719 PolarHBondContact O-N 2.71Å; S551-R719 PolarHBondContact OG-NH2 2.65Å; Q553-R719 HydrophobicContact CG-CB 3.82Å; D621-R719 VanDerWaalsContact CG-NH2 3.26Å; D621-R719 IonicContact OD1-NH2 2.63Å; D621-R719 PolarHBondContact OD1-NH2 3.25Å; D621-R719 IonicContact OD2-CZ 3.88Å; D621-R719 IonicContact OD2-NH1 2.66Å; D621-R719 IonicContact OD2-NH2 2.63Å; D621-R719 PolarHBondContact OD2-NH2 3.09Å; R719-S721 PolarHBondContact NH1-OG 2.9Å
720	F	97	Very high	87.6	Confident	6 Å²	6	61.6 Å²	61.6	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.4	171.4	-48.4	-78	0	0	0	110.1	K548 I550 I661 N673 K674 Y678 V718	K548-F720 HydrophobicContact CD-CB 4.41Å; I550-F720 HydrophobicContact CD1-CD1 4.33Å; I550-F720 HydrophobicContact CD1-CE1 4.25Å; I550-F720 HydrophobicContact CG1-CD1 4.15Å; I550-F720 HydrophobicContact CG1-CE1 4.47Å; I550-F720 HydrophobicContact CG2-CD1 4.24Å; I550-F720 HydrophobicContact CG2-CE1 4.05Å; I661-F720 HydrophobicContact CD1-CE1 4.35Å; I661-F720 HydrophobicContact CD1-CZ 4.06Å; I661-F720 HydrophobicContact CG1-CZ 4.47Å; I661-F720 HydrophobicContact CG2-CE1 3.82Å; I661-F720 HydrophobicContact CG2-CZ 3.5Å; N673-F720 CarbonylContact C-O 3.57Å; N673-F720 WeakPolarHBondContact CA-O 3.4Å; N673-F720 WeakPolarHBondContact CB-O 3.3Å; K674-F720 PolarHBondContact N-O 3.18Å; K674-F720 WeakPolarHBondContact O-CD2 3.37Å; K674-F720 PolarHBondContact O-N 3.07Å; Y678-F720 HydrophobicContact CE2-CE2 4.35Å; Y678-F720 HydrophobicContact CE2-CZ 4.29Å; V718-F720 HydrophobicContact CB-CZ 4.24Å; V718-F720 HydrophobicContact CG1-CE1 3.84Å; V718-F720 HydrophobicContact CG1-CE2 4.39Å; V718-F720 HydrophobicContact CG1-CZ 3.74Å
721	S	96.5	Very high	90.1	Very high	29 Å²	29	53.9 Å²	53.9	20%	0.203	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	151.7	177.9	42.3	0	0	0	0	111.3	I549 R719	I549-S721 PolarHBondContact N-O 2.99Å; I549-S721 PolarHBondContact O-N 3.39Å; R719-S721 PolarHBondContact NH1-OG 2.9Å
722	Q	95.2	Very high	92.3	Very high	85 Å²	85	52.1 Å²	52.1	40%	0.397	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-69.1	139.6	172.9	-157.2	61.4	22.4	0	0	110.2	Q547 N673	Q547-Q722 PolarHBondContact O-NE2 3.33Å; N673-Q722 PolarHBondContact ND2-N 2.81Å
723	P	96.1	Very high	93.6	Very high	9 Å²	9	43.2 Å²	43.2	6%	0.058	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-59.1	147.8	164.2	24.5	-35.3	0	0	0	111.7	Q547 I549 Q727 L731	Q547-P723 HydrophobicContact CG-CG 4.16Å; I549-P723 HydrophobicContact CD1-CB 4.1Å; I549-P723 HydrophobicContact CG1-CB 3.92Å; P723-Q727 VanDerWaalsContact CA-OE1 3.28Å; P723-Q727 HydrophobicContact CB-CB 3.65Å; P723-L731 HydrophobicContact CB-CD1 3.94Å; P723-L731 HydrophobicContact CG-CD1 4.1Å
724	N	95.8	Very high	94.4	Very high	82 Å²	82	41 Å²	41	44%	0.439	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-75.1	172.6	171.4	73	34.1	0	0	0	111.7	E726 Q727 Q728	N724-E726 PolarHBondContact O-N 3.05Å; N724-E726 PolarHBondContact OD1-N 3.25Å; N724-E726 VanDerWaalsContact OD1-N 3.12Å; N724-Q727 WeakPolarHBondContact O-CB 3.48Å; N724-Q727 PolarHBondContact O-N 3.46Å; N724-Q727 VanDerWaalsContact O-N 3.09Å; N724-Q727 WeakPolarHBondContact OD1-CG 3.48Å; N724-Q727 PolarHBondContact OD1-N 3.32Å; N724-Q728 WeakPolarHBondContact O-CB 3.5Å; N724-Q728 PolarHBondContact O-N 3.39Å
725	K	93.6	Very high	94.7	Very high	180 Å²	180	40.3 Å²	40.3	78%	0.783	19%	0.193	S	C	*	.	H	α-helix	trans	-55.3	-44.3	-176.9	-167.6	166.4	-175.8	167.3	0	113.7	Q727 Q728 D729	K725-Q727 VanDerWaalsContact C-N 3.32Å; K725-Q727 PolarHBondContact O-N 3.19Å; K725-Q728 PolarHBondContact O-N 2.99Å; K725-D729 PolarHBondContact O-N 3.36Å
726	E	90.8	Very high	94.7	Very high	122 Å²	122	40 Å²	40	57%	0.57	19%	0.192	S	C	*	.	H	α-helix	trans	-68	-30.5	179.3	-159.9	-154	151.6	0	0	112.9	N724 K730	N724-E726 PolarHBondContact O-N 3.05Å; N724-E726 PolarHBondContact OD1-N 3.25Å; N724-E726 VanDerWaalsContact OD1-N 3.12Å; E726-K730 VanDerWaalsContact O-CD 3.32Å; E726-K730 WeakPolarHBondContact O-CD 3.4Å; E726-K730 WeakPolarHBondContact O-CE 3.47Å; E726-K730 WeakPolarHBondContact O-CG 3.38Å; E726-K730 IonicContact OE1-NZ 3.65Å; E726-K730 PolarHBondContact OE1-NZ 2.93Å
727	Q	95.6	Very high	94.6	Very high	46 Å²	46	42.6 Å²	42.6	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-74.8	-46.1	172.5	-70	167.9	-18.6	0	0	110.7	P723 N724 K725 D729 K730 L731 I742	P723-Q727 VanDerWaalsContact CA-OE1 3.28Å; P723-Q727 HydrophobicContact CB-CB 3.65Å; N724-Q727 WeakPolarHBondContact O-CB 3.48Å; N724-Q727 PolarHBondContact O-N 3.46Å; N724-Q727 VanDerWaalsContact O-N 3.09Å; N724-Q727 WeakPolarHBondContact OD1-CG 3.48Å; N724-Q727 PolarHBondContact OD1-N 3.32Å; K725-Q727 VanDerWaalsContact C-N 3.32Å; K725-Q727 PolarHBondContact O-N 3.19Å; Q727-D729 VanDerWaalsContact C-N 3.32Å; Q727-D729 PolarHBondContact O-N 2.94Å; Q727-K730 PolarHBondContact O-N 3Å; Q727-K730 VanDerWaalsContact O-N 3.13Å; Q727-L731 WeakPolarHBondContact O-CB 3.14Å; Q727-L731 VanDerWaalsContact O-CG 3.26Å; Q727-L731 WeakPolarHBondContact O-CG 3.25Å; Q727-L731 PolarHBondContact O-N 3.04Å; Q727-I742 HydrophobicContact CB-CD1 4.16Å; Q727-I742 HydrophobicContact CG-CD1 3.96Å; Q727-I742 HydrophobicContact CG-CG1 3.94Å
728	Q	95.4	Very high	94.6	Very high	28 Å²	28	42.3 Å²	42.3	13%	0.131	20%	0.203	C	C	.	.	H	α-helix	trans	-55.8	-44.7	178.6	-170.7	71	41.3	0	0	111.6	N724 K725 K730 L731 N732	N724-Q728 WeakPolarHBondContact O-CB 3.5Å; N724-Q728 PolarHBondContact O-N 3.39Å; K725-Q728 PolarHBondContact O-N 2.99Å; Q728-K730 VanDerWaalsContact C-N 3.31Å; Q728-K730 PolarHBondContact O-N 3.12Å; Q728-L731 PolarHBondContact O-N 2.76Å; Q728-N732 PolarHBondContact NE2-OD1 3.13Å; Q728-N732 WeakPolarHBondContact O-CB 3.4Å; Q728-N732 PolarHBondContact O-N 3.28Å; Q728-N732 PolarHBondContact O-OD1 2.97Å
729	D	90.3	Very high	94.6	Very high	72 Å²	72	42.3 Å²	42.3	39%	0.385	20%	0.203	S	C	.	.	H	α-helix	trans	-57.4	-39.7	176.5	-93.7	-45	0	0	0	113.8	R541 K725 Q727	R541-D729 PolarHBondContact NH1-O 3.05Å; R541-D729 IonicContact NH1-OD1 2.71Å; R541-D729 PolarHBondContact NH1-OD1 2.82Å; K725-D729 PolarHBondContact O-N 3.36Å; Q727-D729 VanDerWaalsContact C-N 3.32Å; Q727-D729 PolarHBondContact O-N 2.94Å
730	K	93.5	Very high	94.6	Very high	52 Å²	52	39.1 Å²	39.1	23%	0.226	19%	0.191	C	C	.	.	H	α-helix	trans	-81	-35.2	-179.9	-63.6	165.6	-169.3	168.2	0	112	E726 Q727 Q728 S733 A745 P746	E726-K730 VanDerWaalsContact O-CD 3.32Å; E726-K730 WeakPolarHBondContact O-CD 3.4Å; E726-K730 WeakPolarHBondContact O-CE 3.47Å; E726-K730 WeakPolarHBondContact O-CG 3.38Å; E726-K730 IonicContact OE1-NZ 3.65Å; E726-K730 PolarHBondContact OE1-NZ 2.93Å; Q727-K730 PolarHBondContact O-N 3Å; Q727-K730 VanDerWaalsContact O-N 3.13Å; Q728-K730 VanDerWaalsContact C-N 3.31Å; Q728-K730 PolarHBondContact O-N 3.12Å; K730-S733 PolarHBondContact O-OG 3.37Å; K730-A745 HydrophobicContact CB-CB 4.48Å; K730-P746 HydrophobicContact CD-CB 4.43Å; K730-P746 HydrophobicContact CD-CG 4.07Å
731	L	96.1	Very high	94.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-71.9	-37	178.9	-68.4	174.5	0	0	0	111.2	Q547 I549 F623 R625 P723 Q727 Q728 S733 L734 I742 A745	Q547-L731 HydrophobicContact CG-CD1 4.18Å; I549-L731 HydrophobicContact CD1-CD1 4.38Å; F623-L731 HydrophobicContact CB-CD1 4.13Å; F623-L731 HydrophobicContact CB-CD2 3.71Å; F623-L731 HydrophobicContact CD1-CD2 3.73Å; F623-L731 HydrophobicContact CD2-CD2 3.72Å; F623-L731 HydrophobicContact CE1-CD2 4.3Å; F623-L731 HydrophobicContact CE2-CD2 4.3Å; F623-L731 HydrophobicContact CG-CD2 3.42Å; F623-L731 VanDerWaalsContact CG-CD2 3.42Å; R625-L731 PolarHBondContact NE-O 2.6Å; R625-L731 PolarHBondContact NH1-O 3.41Å; P723-L731 HydrophobicContact CB-CD1 3.94Å; P723-L731 HydrophobicContact CG-CD1 4.1Å; Q727-L731 WeakPolarHBondContact O-CB 3.14Å; Q727-L731 VanDerWaalsContact O-CG 3.26Å; Q727-L731 WeakPolarHBondContact O-CG 3.25Å; Q727-L731 PolarHBondContact O-N 3.04Å; Q728-L731 PolarHBondContact O-N 2.76Å; L731-S733 PolarHBondContact O-N 3.49Å; L731-S733 VanDerWaalsContact O-N 3.12Å; L731-L734 HydrophobicContact CD2-CD1 3.84Å; L731-L734 VanDerWaalsContact O-CB 3.26Å; L731-L734 WeakPolarHBondContact O-CB 3.42Å; L731-L734 WeakPolarHBondContact O-CG 3.47Å; L731-L734 PolarHBondContact O-N 3.14Å; L731-I742 HydrophobicContact CD1-CD1 4.15Å; L731-I742 HydrophobicContact CD2-CD1 4.23Å; L731-I742 HydrophobicContact CG-CD1 4.35Å; L731-A745 HydrophobicContact CD2-CB 4.1Å
732	N	93.6	Very high	94.6	Very high	22 Å²	22	38.4 Å²	38.4	12%	0.118	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.3	-176.9	-77.9	-0.7	0	0	0	115.3	R541 R542 Q543 Q728	R541-N732 CarbonylContact C-O 3.47Å; R541-N732 WeakPolarHBondContact CA-O 3.47Å; R541-N732 HydrophobicContact CB-CB 3.9Å; R541-N732 HydrophobicContact CG-CB 4.37Å; R542-N732 PolarHBondContact N-O 3.42Å; R542-N732 PolarHBondContact O-OD1 2.89Å; Q543-N732 WeakPolarHBondContact CA-OD1 3.4Å; Q728-N732 PolarHBondContact NE2-OD1 3.13Å; Q728-N732 WeakPolarHBondContact O-CB 3.4Å; Q728-N732 PolarHBondContact O-N 3.28Å; Q728-N732 PolarHBondContact O-OD1 2.97Å
733	S	91.1	Very high	94.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-14.7	172.2	65.7	0	0	0	0	113.5	K730 L731 S749 R752	K730-S733 PolarHBondContact O-OG 3.37Å; L731-S733 PolarHBondContact O-N 3.49Å; L731-S733 VanDerWaalsContact O-N 3.12Å; S733-S749 WeakPolarHBondContact OG-CB 3.38Å; S733-S749 PolarHBondContact OG-OG 2.76Å; S733-R752 PolarHBondContact O-NE 3.5Å; S733-R752 PolarHBondContact O-NH2 2.86Å
734	L	94	Very high	94.7	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.016	18%	0.179	C	C	.	.	S	Bend	trans	-79.3	161.9	-173.1	-53.6	-171.4	0	0	0	111.9	F623 R625 L731 L738 L748 R752	F623-L734 HydrophobicContact CE2-CD1 4.13Å; F623-L734 HydrophobicContact CZ-CD1 4Å; R625-L734 PolarHBondContact NH2-O 3.09Å; L731-L734 HydrophobicContact CD2-CD1 3.84Å; L731-L734 VanDerWaalsContact O-CB 3.26Å; L731-L734 WeakPolarHBondContact O-CB 3.42Å; L731-L734 WeakPolarHBondContact O-CG 3.47Å; L731-L734 PolarHBondContact O-N 3.14Å; L734-L738 HydrophobicContact CB-CD2 4.37Å; L734-L738 HydrophobicContact CD1-CD2 4.16Å; L734-L748 HydrophobicContact CD1-CB 4.18Å; L734-L748 HydrophobicContact CD1-CD1 4.16Å; L734-L748 HydrophobicContact CD2-CB 3.6Å; L734-R752 HydrophobicContact CD2-CG 4.01Å
735	P	93	Very high	94.7	Very high	8 Å²	8	32 Å²	32	5%	0.052	16%	0.158	C	C	.	.			trans	-52	151.1	169.5	-22.8	31.7	0	0	0	112.2	F515 L516 R625 I737	F515-P735 WeakPolarHBondContact O-CG 3.08Å; L516-P735 HydrophobicContact CD2-CG 4.37Å; R625-P735 PolarHBondContact NE-O 3.16Å; P735-I737 PolarHBondContact O-N 2.67Å
736	D	92.2	Very high	94.7	Very high	23 Å²	23	25.2 Å²	25.2	12%	0.123	13%	0.133	C	C	.	.	S	Bend	trans	-66.9	-22.6	-178.4	-80.9	3.8	0	0	0	114.3	R542 R625 Y626 N627	R542-D736 IonicContact CZ-OD1 3.26Å; R542-D736 IonicContact CZ-OD2 3.85Å; R542-D736 VanDerWaalsContact CZ-OD2 3.26Å; R542-D736 VanDerWaalsContact NE-CG 3.32Å; R542-D736 IonicContact NE-OD1 3.12Å; R542-D736 PolarHBondContact NE-OD1 3.13Å; R542-D736 IonicContact NE-OD2 2.84Å; R542-D736 PolarHBondContact NE-OD2 3.13Å; R542-D736 VanDerWaalsContact NE-OD2 3.08Å; R542-D736 VanDerWaalsContact NH2-CG 3.28Å; R542-D736 IonicContact NH2-OD1 2.75Å; R542-D736 IonicContact NH2-OD2 2.81Å; R542-D736 PolarHBondContact NH2-OD2 2.97Å; R625-D736 CarbonylContact C-O 3.55Å; R625-D736 IonicContact NH2-OD1 2.61Å; Y626-D736 CarbonylContact C-O 3.43Å; Y626-D736 WeakPolarHBondContact CA-O 3.47Å; Y626-D736 PolarHBondContact N-O 3.4Å; N627-D736 HydrophobicContact CB-CB 3.63Å; N627-D736 WeakPolarHBondContact CB-OD2 3.48Å; N627-D736 PolarHBondContact ND2-OD2 2.91Å
737	I	94.8	Very high	95	Very high	53 Å²	53	19.9 Å²	19.9	27%	0.272	11%	0.108	S	C	.	.	S	Bend	trans	-125.1	98	-179.1	-56.5	-178.8	0	0	0	107.5	F515 L577 I584 R625 Y626 P735	F515-I737 HydrophobicContact CE1-CG2 4.49Å; L577-I737 HydrophobicContact CD1-CG2 3.93Å; I584-I737 WeakPolarHBondContact O-CG2 3.42Å; R625-I737 WeakPolarHBondContact O-CA 3.26Å; Y626-I737 HydrophobicContact CD2-CD1 4.33Å; Y626-I737 HydrophobicContact CD2-CG1 4.26Å; P735-I737 PolarHBondContact O-N 2.67Å
738	L	96.9	Very high	95	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	143.2	-178.3	-165.4	74.1	0	0	0	111.4	Y512 F515 L516 N586 F623 R625 L734 L748	Y512-L738 HydrophobicContact CD1-CD1 4.14Å; Y512-L738 HydrophobicContact CE1-CD1 4.31Å; F515-L738 HydrophobicContact CB-CD1 3.67Å; L516-L738 HydrophobicContact CD2-CD1 4.16Å; L516-L738 HydrophobicContact CD2-CD2 3.81Å; N586-L738 WeakPolarHBondContact OD1-CD1 3.21Å; F623-L738 HydrophobicContact CE2-CB 4.16Å; F623-L738 HydrophobicContact CE2-CD2 3.87Å; F623-L738 HydrophobicContact CE2-CG 3.99Å; F623-L738 HydrophobicContact CZ-CD2 3.84Å; F623-L738 HydrophobicContact CZ-CG 4.23Å; R625-L738 PolarHBondContact N-O 3.2Å; R625-L738 PolarHBondContact O-N 2.74Å; L734-L738 HydrophobicContact CB-CD2 4.37Å; L734-L738 HydrophobicContact CD1-CD2 4.16Å; L738-L748 HydrophobicContact CD2-CD1 4.23Å
739	I	97.9	Very high	94.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.7	169.1	-57.3	-163.5	0	0	0	109.6	Y512 L575 L577 N586 C588 L622 F623 V624	Y512-I739 WeakPolarHBondContact CE1-O 3.49Å; Y512-I739 PolarHBondContact OH-O 2.83Å; L575-I739 HydrophobicContact CD1-CD1 4.27Å; L575-I739 HydrophobicContact CD1-CG2 3.9Å; L575-I739 HydrophobicContact CG-CG2 4.24Å; L577-I739 HydrophobicContact CG-CD1 4.28Å; N586-I739 PolarHBondContact ND2-O 3.23Å; N586-I739 PolarHBondContact OD1-N 2.89Å; N586-I739 PolarHBondContact OD1-O 3.05Å; C588-I739 HydrophobicContact CB-CB 4.44Å; C588-I739 HydrophobicContact CB-CG2 3.76Å; L622-I739 HydrophobicContact CD2-CG2 4.13Å; F623-I739 WeakPolarHBondContact O-CA 3.4Å; V624-I739 HydrophobicContact CB-CG1 4.38Å; V624-I739 HydrophobicContact CG1-CD1 4.26Å; V624-I739 HydrophobicContact CG1-CG1 4.14Å; V624-I739 HydrophobicContact CG2-CB 4.42Å; V624-I739 HydrophobicContact CG2-CD1 3.81Å; V624-I739 HydrophobicContact CG2-CG1 3.84Å; V624-I739 HydrophobicContact CG2-CG2 4.09Å
740	G	97.4	Very high	95	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	172.4	169.5	0	0	0	0	0	114.3	Y512 L622 F623	Y512-G740 WeakPolarHBondContact OH-CA 3.34Å; L622-G740 CarbonylContact C-O 3.46Å; L622-G740 VanDerWaalsContact CA-O 3.24Å; L622-G740 WeakPolarHBondContact CA-O 3.21Å; F623-G740 WeakPolarHBondContact CD1-O 3.45Å; F623-G740 VanDerWaalsContact CE1-C 3.46Å; F623-G740 VanDerWaalsContact CE1-CA 3.49Å; F623-G740 WeakPolarHBondContact CE1-O 3.33Å; F623-G740 PolarHBondContact N-O 2.77Å; F623-G740 PolarHBondContact O-N 3.06Å; F623-G740 VanDerWaalsContact O-N 3.16Å
741	L	97.4	Very high	95	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.01	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	137.3	173.2	-75	174.5	0	0	0	110.7	L590 P606 L618 L622 G743 Y744	L590-L741 HydrophobicContact CD1-CD2 3.75Å; L590-L741 HydrophobicContact CD1-CG 4.4Å; L590-L741 HydrophobicContact CD2-CD1 3.77Å; L590-L741 HydrophobicContact CD2-CD2 4.09Å; L590-L741 HydrophobicContact CD2-CG 4Å; P606-L741 HydrophobicContact CB-CD1 3.89Å; P606-L741 HydrophobicContact CG-CD1 4.17Å; P606-L741 HydrophobicContact CG-CD2 4.13Å; L618-L741 HydrophobicContact CD2-CD1 4.23Å; L622-L741 HydrophobicContact CD2-CD2 4.36Å; L622-L741 HydrophobicContact CG-CD2 4.36Å; L741-G743 PolarHBondContact O-N 3.48Å; L741-Y744 HydrophobicContact CB-CD2 4.03Å; L741-Y744 HydrophobicContact CB-CE2 4.37Å; L741-Y744 HydrophobicContact CB-CG 4.15Å; L741-Y744 HydrophobicContact CD1-CD2 4.35Å; L741-Y744 HydrophobicContact CD1-CE1 4.42Å; L741-Y744 HydrophobicContact CD1-CE2 3.84Å; L741-Y744 WeakPolarHBondContact O-CB 3.33Å; L741-Y744 PolarHBondContact O-N 3.04Å
742	I	96.8	Very high	94.8	Very high	19 Å²	19	12.9 Å²	12.9	10%	0.097	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.3	179.7	-164.8	53.2	0	0	0	112.6	I549 D621 F623 Q727 L731 Y744 A745	I549-I742 HydrophobicContact CD1-CB 4.31Å; I549-I742 HydrophobicContact CD1-CD1 3.65Å; I549-I742 HydrophobicContact CD1-CG1 3.85Å; D621-I742 HydrophobicContact CB-CG2 3.9Å; D621-I742 VanDerWaalsContact O-CG2 3.32Å; D621-I742 WeakPolarHBondContact O-CG2 3.27Å; D621-I742 PolarHBondContact O-N 3.35Å; F623-I742 HydrophobicContact CB-CD1 4.36Å; F623-I742 HydrophobicContact CD1-CD1 4.44Å; Q727-I742 HydrophobicContact CB-CD1 4.16Å; Q727-I742 HydrophobicContact CG-CD1 3.96Å; Q727-I742 HydrophobicContact CG-CG1 3.94Å; L731-I742 HydrophobicContact CD1-CD1 4.15Å; L731-I742 HydrophobicContact CD2-CD1 4.23Å; L731-I742 HydrophobicContact CG-CD1 4.35Å; I742-Y744 PolarHBondContact O-N 3.06Å; I742-A745 HydrophobicContact CD1-CB 4.05Å; I742-A745 WeakPolarHBondContact O-CB 3.42Å; I742-A745 PolarHBondContact O-N 3.17Å
743	G	95	Very high	94.5	Very high	24 Å²	24	12.6 Å²	12.6	25%	0.247	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-19	171.8	0	0	0	0	0	114.4	L741	L741-G743 PolarHBondContact O-N 3.48Å
744	Y	96.8	Very high	94.4	Very high	16 Å²	16	13.5 Å²	13.5	6%	0.063	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-17.3	178.4	-63	-10.4	0	0	0	113.1	L618 L741 I742 P746 F747 L748 I793	L618-Y744 HydrophobicContact CD1-CE1 4.27Å; L618-Y744 HydrophobicContact CD2-CE1 4.02Å; L741-Y744 HydrophobicContact CB-CD2 4.03Å; L741-Y744 HydrophobicContact CB-CE2 4.37Å; L741-Y744 HydrophobicContact CB-CG 4.15Å; L741-Y744 HydrophobicContact CD1-CD2 4.35Å; L741-Y744 HydrophobicContact CD1-CE1 4.42Å; L741-Y744 HydrophobicContact CD1-CE2 3.84Å; L741-Y744 WeakPolarHBondContact O-CB 3.33Å; L741-Y744 PolarHBondContact O-N 3.04Å; I742-Y744 PolarHBondContact O-N 3.06Å; Y744-P746 VanDerWaalsContact C-N 3.32Å; Y744-P746 VanDerWaalsContact O-N 3.15Å; Y744-F747 PolarHBondContact O-N 3.3Å; Y744-L748 WeakPolarHBondContact O-CG 3.42Å; Y744-L748 PolarHBondContact O-N 3.41Å; Y744-L748 VanDerWaalsContact O-N 3.17Å; Y744-I793 HydrophobicContact CD1-CD1 4.11Å; Y744-I793 HydrophobicContact CD1-CG1 4.11Å; Y744-I793 HydrophobicContact CD2-CD1 3.57Å; Y744-I793 HydrophobicContact CD2-CG1 4.2Å; Y744-I793 HydrophobicContact CD2-CG2 4.37Å; Y744-I793 HydrophobicContact CE1-CG1 4.21Å; Y744-I793 HydrophobicContact CE1-CG2 4.32Å; Y744-I793 HydrophobicContact CE2-CD1 4.04Å; Y744-I793 HydrophobicContact CE2-CG1 4.27Å; Y744-I793 HydrophobicContact CE2-CG2 3.68Å; Y744-I793 HydrophobicContact CG-CD1 3.61Å; Y744-I793 HydrophobicContact CG-CG1 4.13Å
745	A	96.2	Very high	93.9	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.008	7%	0.074	C	C	.	.	H	α-helix	trans	-50.6	-35.3	179.1	0	0	0	0	0	115.9	F623 K730 L731 I742 F747 S749	F623-A745 HydrophobicContact CD1-CB 4.5Å; F623-A745 HydrophobicContact CE1-CB 4.45Å; K730-A745 HydrophobicContact CB-CB 4.48Å; L731-A745 HydrophobicContact CD2-CB 4.1Å; I742-A745 HydrophobicContact CD1-CB 4.05Å; I742-A745 WeakPolarHBondContact O-CB 3.42Å; I742-A745 PolarHBondContact O-N 3.17Å; A745-F747 VanDerWaalsContact C-N 3.3Å; A745-F747 PolarHBondContact O-N 3.31Å; A745-S749 WeakPolarHBondContact O-CB 3.25Å; A745-S749 PolarHBondContact O-N 3.47Å
746	P	94.4	Very high	93.2	Very high	38 Å²	38	13 Å²	13	25%	0.247	7%	0.072	C	C	.	.	H	α-helix	trans	-59.5	-38.9	174.1	-22	32.4	0	0	0	113.3	K730 Y744 Y750	K730-P746 HydrophobicContact CD-CB 4.43Å; K730-P746 HydrophobicContact CD-CG 4.07Å; Y744-P746 VanDerWaalsContact C-N 3.32Å; Y744-P746 VanDerWaalsContact O-N 3.15Å; P746-Y750 WeakPolarHBondContact O-CD2 3.47Å; P746-Y750 PolarHBondContact O-N 2.89Å
747	F	96.5	Very high	92.4	Very high	10 Å²	10	16.4 Å²	16.4	4%	0.044	9%	0.091	C	C	.	.	H	α-helix	trans	-78	-41.6	-176.7	-53.4	-83.8	0	0	0	111.3	Y744 A745 S749 Y750 H751 F783 L796 R797 W800 Y822	Y744-F747 PolarHBondContact O-N 3.3Å; A745-F747 VanDerWaalsContact C-N 3.3Å; A745-F747 PolarHBondContact O-N 3.31Å; F747-S749 VanDerWaalsContact C-N 3.28Å; F747-S749 PolarHBondContact O-N 3.12Å; F747-Y750 PolarHBondContact O-N 2.98Å; F747-H751 PolarHBondContact O-N 3.23Å; F747-F783 VanDerWaalsContact C-CZ 3.5Å; F747-F783 HydrophobicContact CB-CE2 3.69Å; F747-F783 HydrophobicContact CB-CZ 3.75Å; F747-L796 HydrophobicContact CB-CD2 4.43Å; F747-L796 HydrophobicContact CD1-CD1 4.32Å; F747-L796 HydrophobicContact CD1-CD2 3.81Å; F747-L796 HydrophobicContact CD1-CG 3.78Å; F747-L796 HydrophobicContact CE1-CD1 4.38Å; F747-L796 HydrophobicContact CE1-CD2 4.5Å; F747-L796 HydrophobicContact CE1-CG 3.97Å; F747-L796 HydrophobicContact CG-CD2 4.32Å; F747-R797 HydrophobicContact CE2-CB 4.1Å; F747-R797 HydrophobicContact CE2-CG 3.92Å; F747-R797 HydrophobicContact CZ-CB 4.04Å; F747-R797 HydrophobicContact CZ-CG 4.01Å; F747-W800 HydrophobicContact CE1-CB 4.08Å; F747-W800 AromaticContact CE1-CD1 3.56Å; F747-W800 HydrophobicContact CE1-CG 4.04Å; F747-W800 AromaticContact CZ-CD1 3.92Å; F747-Y822 AromaticContact CD1-CE2 3.79Å; F747-Y822 HydrophobicContact CD1-CE2 3.79Å; F747-Y822 HydrophobicContact CE1-CE2 4.21Å
748	L	95.9	Very high	91.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-56.5	-43.9	170.5	-57	176.4	0	0	0	110.7	Y512 L516 F623 L734 L738 Y744 H751 R752 F783 A787	Y512-L748 HydrophobicContact CD1-CD2 4.19Å; Y512-L748 HydrophobicContact CE1-CD1 4.37Å; Y512-L748 HydrophobicContact CE1-CD2 4.12Å; L516-L748 HydrophobicContact CD1-CD2 3.8Å; L516-L748 HydrophobicContact CD2-CD2 4.21Å; F623-L748 HydrophobicContact CE1-CD1 3.64Å; F623-L748 HydrophobicContact CZ-CD1 3.46Å; F623-L748 VanDerWaalsContact CZ-CD1 3.46Å; L734-L748 HydrophobicContact CD1-CB 4.18Å; L734-L748 HydrophobicContact CD1-CD1 4.16Å; L734-L748 HydrophobicContact CD2-CB 3.6Å; L738-L748 HydrophobicContact CD2-CD1 4.23Å; Y744-L748 WeakPolarHBondContact O-CG 3.42Å; Y744-L748 PolarHBondContact O-N 3.41Å; Y744-L748 VanDerWaalsContact O-N 3.17Å; L748-H751 PolarHBondContact O-N 3.47Å; L748-R752 VanDerWaalsContact O-CG 3.31Å; L748-R752 WeakPolarHBondContact O-CG 3.31Å; L748-R752 PolarHBondContact O-N 2.9Å; L748-R752 VanDerWaalsContact O-N 3.12Å; L748-F783 HydrophobicContact CD2-CE1 3.87Å; L748-F783 HydrophobicContact CD2-CZ 3.97Å; L748-A787 HydrophobicContact CD2-CB 4.47Å
749	S	93.4	Very high	90.2	Very high	10 Å²	10	16.9 Å²	16.9	7%	0.07	9%	0.092	C	C	.	.	H	α-helix	trans	-68.8	-36.8	177.2	-173.6	0	0	0	0	112.7	S733 A745 F747 R752 D753	S733-S749 WeakPolarHBondContact OG-CB 3.38Å; S733-S749 PolarHBondContact OG-OG 2.76Å; A745-S749 WeakPolarHBondContact O-CB 3.25Å; A745-S749 PolarHBondContact O-N 3.47Å; F747-S749 VanDerWaalsContact C-N 3.28Å; F747-S749 PolarHBondContact O-N 3.12Å; S749-R752 PolarHBondContact O-N 2.85Å; S749-D753 WeakPolarHBondContact O-CB 3.41Å; S749-D753 PolarHBondContact O-N 2.94Å
750	Y	93	Very high	88.1	Confident	37 Å²	37	19.5 Å²	19.5	15%	0.145	11%	0.109	C	C	.	.	H	α-helix	trans	-61.1	-48.2	174	-88.7	-56	0	0	0	111.3	P746 F747 R752 D753 F754 K819 Y822	P746-Y750 WeakPolarHBondContact O-CD2 3.47Å; P746-Y750 PolarHBondContact O-N 2.89Å; F747-Y750 PolarHBondContact O-N 2.98Å; Y750-R752 VanDerWaalsContact C-N 3.34Å; Y750-R752 PolarHBondContact O-N 3.41Å; Y750-D753 CarbonylContact O-C 3.59Å; Y750-D753 PolarHBondContact O-N 2.94Å; Y750-F754 HydrophobicContact CD1-CE2 4.26Å; Y750-F754 HydrophobicContact CD1-CZ 4.5Å; Y750-F754 HydrophobicContact CG-CE2 4.47Å; Y750-F754 WeakPolarHBondContact O-CD2 3.12Å; Y750-F754 WeakPolarHBondContact O-CG 3.49Å; Y750-F754 PolarHBondContact O-N 3.13Å; Y750-K819 HydrophobicContact CD1-CG 4.04Å; Y750-K819 HydrophobicContact CE1-CG 3.84Å; Y750-Y822 HydrophobicContact CD2-CD2 4.05Å; Y750-Y822 HydrophobicContact CD2-CE2 4.14Å; Y750-Y822 HydrophobicContact CD2-CG 4.36Å; Y750-Y822 HydrophobicContact CE2-CD2 4.27Å; Y750-Y822 HydrophobicContact CG-CD1 4.47Å; Y750-Y822 HydrophobicContact CG-CG 4.42Å
751	H	93.6	Very high	85.8	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58	-44.8	177.9	168.8	71.1	0	0	0	112.4	F747 L748 F754 L755 V780 F783	F747-H751 PolarHBondContact O-N 3.23Å; L748-H751 PolarHBondContact O-N 3.47Å; H751-F754 PolarHBondContact O-N 3.41Å; H751-L755 WeakPolarHBondContact NE2-CD1 3.38Å; H751-L755 WeakPolarHBondContact O-CG 3.49Å; H751-L755 PolarHBondContact O-N 3.12Å; H751-V780 PolarHBondContact CE1-O 3.49Å; H751-F783 HydrophobicContact CB-CB 4.33Å; H751-F783 HydrophobicContact CB-CD1 3.25Å; H751-F783 HydrophobicContact CB-CE1 3.65Å; H751-F783 HydrophobicContact CB-CG 3.81Å; H751-F783 AromaticContact CD2-CD1 3.78Å; H751-F783 AromaticContact CG-CD1 3.31Å; H751-F783 AromaticContact ND1-CD1 3.75Å
752	R	90.7	Very high	83.2	Confident	3 Å²	3	32.1 Å²	32.1	1%	0.011	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-45.8	174.1	-69	-74.8	-73.4	-172.4	-3.1	111.8	D529 I539 S733 L734 L748 S749 Y750 F754 L755 A756	D529-R752 PolarHBondContact O-NH2 3.36Å; D529-R752 IonicContact OD2-CZ 2.58Å; D529-R752 IonicContact OD2-NH1 2.87Å; D529-R752 PolarHBondContact OD2-NH1 3.35Å; D529-R752 IonicContact OD2-NH2 2.71Å; I539-R752 HydrophobicContact CD1-CB 4.01Å; I539-R752 WeakPolarHBondContact CD1-O 3.19Å; S733-R752 PolarHBondContact O-NE 3.5Å; S733-R752 PolarHBondContact O-NH2 2.86Å; L734-R752 HydrophobicContact CD2-CG 4.01Å; L748-R752 VanDerWaalsContact O-CG 3.31Å; L748-R752 WeakPolarHBondContact O-CG 3.31Å; L748-R752 PolarHBondContact O-N 2.9Å; L748-R752 VanDerWaalsContact O-N 3.12Å; S749-R752 PolarHBondContact O-N 2.85Å; Y750-R752 VanDerWaalsContact C-N 3.34Å; Y750-R752 PolarHBondContact O-N 3.41Å; R752-F754 VanDerWaalsContact C-N 3.27Å; R752-F754 PolarHBondContact O-N 3.44Å; R752-L755 WeakPolarHBondContact O-CB 3.47Å; R752-L755 PolarHBondContact O-N 3.16Å; R752-A756 PolarHBondContact O-N 2.88Å
753	D	87.4	Confident	80.4	Confident	16 Å²	16	34.5 Å²	34.5	9%	0.086	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-27	174.8	-92.1	34.7	0	0	0	113.8	S749 Y750 A756 K819	S749-D753 WeakPolarHBondContact O-CB 3.41Å; S749-D753 PolarHBondContact O-N 2.94Å; Y750-D753 CarbonylContact O-C 3.59Å; Y750-D753 PolarHBondContact O-N 2.94Å; D753-A756 WeakPolarHBondContact O-CB 3.49Å; D753-K819 WeakPolarHBondContact OD2-CE 3.37Å; D753-K819 IonicContact OD2-NZ 2.71Å; D753-K819 PolarHBondContact OD2-NZ 2.96Å
754	F	88.2	Confident	77.9	Confident	20 Å²	20	41.5 Å²	41.5	9%	0.088	23%	0.228	C	C	.	.	H	α-helix	trans	-81	-39.1	173.7	-68.7	-62.2	0	0	0	112.8	Y750 H751 R752 A756 N757 E779 V780 K819 Y822	Y750-F754 HydrophobicContact CD1-CE2 4.26Å; Y750-F754 HydrophobicContact CD1-CZ 4.5Å; Y750-F754 HydrophobicContact CG-CE2 4.47Å; Y750-F754 WeakPolarHBondContact O-CD2 3.12Å; Y750-F754 WeakPolarHBondContact O-CG 3.49Å; Y750-F754 PolarHBondContact O-N 3.13Å; H751-F754 PolarHBondContact O-N 3.41Å; R752-F754 VanDerWaalsContact C-N 3.27Å; R752-F754 PolarHBondContact O-N 3.44Å; F754-A756 PolarHBondContact O-N 3.33Å; F754-N757 WeakPolarHBondContact O-CB 3.32Å; F754-N757 PolarHBondContact O-N 2.85Å; F754-E779 HydrophobicContact CD2-CG 4.37Å; F754-E779 HydrophobicContact CE2-CG 4.43Å; F754-V780 HydrophobicContact CB-CG2 3.56Å; F754-V780 HydrophobicContact CG-CG2 4.35Å; F754-K819 HydrophobicContact CE1-CB 3.93Å; F754-K819 HydrophobicContact CE1-CG 4.25Å; F754-K819 HydrophobicContact CZ-CB 4.01Å; F754-K819 HydrophobicContact CZ-CG 4.21Å; F754-K819 WeakPolarHBondContact CZ-O 3.33Å; F754-Y822 AromaticContact CE2-CD1 3.45Å; F754-Y822 HydrophobicContact CE2-CD1 3.45Å; F754-Y822 VanDerWaalsContact CE2-CD1 3.45Å; F754-Y822 AromaticContact CE2-CE1 3.73Å; F754-Y822 HydrophobicContact CE2-CE1 3.73Å; F754-Y822 AromaticContact CZ-CD1 3.83Å; F754-Y822 HydrophobicContact CZ-CD1 3.83Å
755	L	85.4	Confident	75.2	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-54.5	-42.4	170	-75.2	167.9	0	0	0	110.8	P518 I530 H751 R752 N757 I758 F759 V780	P518-L755 HydrophobicContact CG-CD1 3.8Å; P518-L755 HydrophobicContact CG-CD2 3.98Å; P518-L755 HydrophobicContact CG-CG 4.39Å; I530-L755 HydrophobicContact CD1-CB 3.98Å; I530-L755 HydrophobicContact CD1-CD1 4.22Å; H751-L755 WeakPolarHBondContact NE2-CD1 3.38Å; H751-L755 WeakPolarHBondContact O-CG 3.49Å; H751-L755 PolarHBondContact O-N 3.12Å; R752-L755 WeakPolarHBondContact O-CB 3.47Å; R752-L755 PolarHBondContact O-N 3.16Å; L755-N757 PolarHBondContact O-N 2.94Å; L755-N757 VanDerWaalsContact O-N 3.17Å; L755-I758 PolarHBondContact O-N 2.93Å; L755-F759 HydrophobicContact CB-CE2 3.98Å; L755-F759 HydrophobicContact CD2-CE2 4.13Å; L755-F759 HydrophobicContact CD2-CZ 4.08Å; L755-F759 WeakPolarHBondContact O-CD2 3.31Å; L755-F759 WeakPolarHBondContact O-CE2 3.49Å; L755-F759 PolarHBondContact O-N 2.89Å; L755-V780 HydrophobicContact CD2-CG1 3.42Å; L755-V780 VanDerWaalsContact CD2-CG1 3.42Å; L755-V780 HydrophobicContact CG-CG1 3.84Å
756	A	78.3	Confident	73	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.008	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.9	174.7	0	0	0	0	0	114.5	L532 I539 R752 D753 F754 P760	L532-A756 HydrophobicContact CD1-CB 4.24Å; I539-A756 HydrophobicContact CD1-CB 4.15Å; I539-A756 HydrophobicContact CG1-CB 3.46Å; I539-A756 VanDerWaalsContact CG1-CB 3.46Å; R752-A756 PolarHBondContact O-N 2.88Å; D753-A756 WeakPolarHBondContact O-CB 3.49Å; F754-A756 PolarHBondContact O-N 3.33Å; A756-P760 WeakPolarHBondContact O-CD 3.45Å; A756-P760 WeakPolarHBondContact O-CG 3.49Å
757	N	75	Confident	70.8	Confident	95 Å²	95	55.5 Å²	55.5	51%	0.508	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-10.2	-178.9	-70.2	-7.7	0	0	0	113.3	F754 L755	F754-N757 WeakPolarHBondContact O-CB 3.32Å; F754-N757 PolarHBondContact O-N 2.85Å; L755-N757 PolarHBondContact O-N 2.94Å; L755-N757 VanDerWaalsContact O-N 3.17Å
758	I	74.3	Confident	68.6	Low	29 Å²	29	64 Å²	64	15%	0.149	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-37	-176.4	-74.8	154.8	0	0	0	112	L755 P760 L773 V776 V780	L755-I758 PolarHBondContact O-N 2.93Å; I758-P760 VanDerWaalsContact C-CD 3.43Å; I758-L773 HydrophobicContact CG2-CD2 3.95Å; I758-V776 HydrophobicContact CD1-CB 3.77Å; I758-V776 HydrophobicContact CD1-CG1 3.62Å; I758-V776 HydrophobicContact CG1-CG1 4.19Å; I758-V776 HydrophobicContact CG2-CG1 3.81Å; I758-V780 HydrophobicContact CD1-CB 4.09Å; I758-V780 HydrophobicContact CD1-CG1 3.73Å; I758-V780 HydrophobicContact CD1-CG2 3.8Å
759	F	70.1	Confident	66.2	Low	33 Å²	33	66.7 Å²	66.7	15%	0.145	36%	0.358	C	S	.	.	S	Bend	trans	-75.4	-16.5	-178.6	-55.4	-50.4	0	0	0	117.7	P518 F527 I530 L755 G761 L773 I891	P518-F759 HydrophobicContact CB-CE2 4.31Å; P518-F759 HydrophobicContact CB-CZ 4.31Å; P518-F759 HydrophobicContact CG-CE2 3.89Å; P518-F759 HydrophobicContact CG-CZ 3.95Å; F527-F759 HydrophobicContact CD2-CD1 4.46Å; F527-F759 HydrophobicContact CD2-CD2 4.23Å; F527-F759 HydrophobicContact CD2-CE2 4.48Å; F527-F759 HydrophobicContact CD2-CG 4.23Å; F527-F759 HydrophobicContact CE1-CE1 4.34Å; F527-F759 HydrophobicContact CE1-CZ 4.28Å; F527-F759 HydrophobicContact CE2-CB 4.24Å; F527-F759 AromaticContact CE2-CD1 3.41Å; F527-F759 HydrophobicContact CE2-CD1 3.41Å; F527-F759 VanDerWaalsContact CE2-CD1 3.41Å; F527-F759 AromaticContact CE2-CD2 3.91Å; F527-F759 HydrophobicContact CE2-CD2 3.91Å; F527-F759 AromaticContact CE2-CE1 3.65Å; F527-F759 HydrophobicContact CE2-CE1 3.65Å; F527-F759 HydrophobicContact CE2-CE2 4.1Å; F527-F759 AromaticContact CE2-CG 3.57Å; F527-F759 HydrophobicContact CE2-CG 3.57Å; F527-F759 AromaticContact CE2-CZ 3.98Å; F527-F759 HydrophobicContact CE2-CZ 3.98Å; F527-F759 AromaticContact CZ-CD1 3.68Å; F527-F759 HydrophobicContact CZ-CD1 3.68Å; F527-F759 HydrophobicContact CZ-CD2 4.49Å; F527-F759 AromaticContact CZ-CE1 3.41Å; F527-F759 HydrophobicContact CZ-CE1 3.41Å; F527-F759 VanDerWaalsContact CZ-CE1 3.41Å; F527-F759 HydrophobicContact CZ-CE2 4.25Å; F527-F759 HydrophobicContact CZ-CG 4.23Å; F527-F759 AromaticContact CZ-CZ 3.73Å; F527-F759 HydrophobicContact CZ-CZ 3.73Å; I530-F759 HydrophobicContact CD1-CD2 4.47Å; I530-F759 HydrophobicContact CD1-CE2 3.98Å; L755-F759 HydrophobicContact CB-CE2 3.98Å; L755-F759 HydrophobicContact CD2-CE2 4.13Å; L755-F759 HydrophobicContact CD2-CZ 4.08Å; L755-F759 WeakPolarHBondContact O-CD2 3.31Å; L755-F759 WeakPolarHBondContact O-CE2 3.49Å; L755-F759 PolarHBondContact O-N 2.89Å; F759-G761 PolarHBondContact O-N 2.93Å; F759-L773 HydrophobicContact CD1-CD2 3.72Å; F759-L773 HydrophobicContact CE1-CD2 4.09Å; F759-I891 HydrophobicContact CE1-CD1 4.18Å
760	P	55.3	Low	64	Low	55 Å²	55	75.8 Å²	75.8	36%	0.357	39%	0.391	S	S	.	.			trans	-69.4	59.4	176.3	-23.7	36.2	0	0	0	115.6	L532 A756 I758	L532-P760 HydrophobicContact CD1-CG 4.33Å; L532-P760 HydrophobicContact CD2-CB 4.46Å; L532-P760 HydrophobicContact CD2-CG 3.88Å; A756-P760 WeakPolarHBondContact O-CD 3.45Å; A756-P760 WeakPolarHBondContact O-CG 3.49Å; I758-P760 VanDerWaalsContact C-CD 3.43Å
761	G	47.7	Very low	61.8	Low	57 Å²	57	80.8 Å²	80.8	59%	0.588	41%	0.414	S	S	*	.			trans	-80.3	-10.5	178	0	0	0	0	0	115.5	F759 G763	F759-G761 PolarHBondContact O-N 2.93Å; G761-G763 PolarHBondContact O-N 2.59Å
762	F	43	Very low	59.8	Low	211 Å²	211	83.7 Å²	83.7	93%	0.925	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	2.7	-172.4	-82.2	-82.1	0	0	0	116
763	G	38.3	Very low	58.1	Low	69 Å²	69	87.9 Å²	87.9	71%	0.711	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.7	14.2	-172.6	0	0	0	0	0	116.2	G761	G761-G763 PolarHBondContact O-N 2.59Å
764	R	41.7	Very low	56.7	Low	171 Å²	171	94.7 Å²	94.7	65%	0.645	48%	0.475	S	S	*	.			trans	-107.2	113.7	168.9	-71.9	-167.7	-178	169.5	3.6	109.7	D766 D769	R764-D766 PolarHBondContact O-N 3.45Å; R764-D769 WeakPolarHBondContact CD-OD2 3.38Å; R764-D769 IonicContact CZ-OD2 3.26Å; R764-D769 IonicContact NE-OD2 2.81Å; R764-D769 IonicContact NH1-OD2 3.37Å; R764-D769 PolarHBondContact NH1-OD2 3.2Å
765	T	41.9	Very low	55.9	Low	130 Å²	130	100.8 Å²	100.8	80%	0.798	50%	0.499	S	S	*	.			trans	-78.5	-3.9	-174.3	44.3	0	0	0	0	114.5
766	D	49.5	Very low	55.9	Low	110 Å²	110	101 Å²	101	59%	0.588	50%	0.5	S	S	*	.			trans	-97.1	109	-166.9	-66.1	20	0	0	0	109.5	R764 K768 D769	R764-D766 PolarHBondContact O-N 3.45Å; D766-K768 PolarHBondContact O-N 2.78Å; D766-D769 PolarHBondContact O-N 3.05Å
767	D	47.4	Very low	56.3	Low	109 Å²	109	105.6 Å²	105.6	58%	0.583	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-56.6	-14	-166.5	-98.6	-21.5	0	0	0	116.5	D769 R770	D767-D769 VanDerWaalsContact C-N 3.35Å; D767-R770 IonicContact OD1-CZ 3.83Å; D767-R770 IonicContact OD1-NE 3.99Å; D767-R770 PolarHBondContact OD1-NE 3.44Å; D767-R770 IonicContact OD1-NH2 3.67Å; D767-R770 PolarHBondContact OD1-NH2 3.15Å
768	K	51.2	Low	57.1	Low	188 Å²	188	101.3 Å²	101.3	82%	0.817	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-70.7	-28.6	176	-61.8	179.3	-178.5	177	0	112.7	D766 R770	D766-K768 PolarHBondContact O-N 2.78Å; K768-R770 VanDerWaalsContact C-N 3.3Å; K768-R770 PolarHBondContact O-N 3.23Å
769	D	45.6	Very low	57.9	Low	57 Å²	57	100.1 Å²	100.1	31%	0.305	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-78.1	-8.8	-173.4	-91.2	24.7	0	0	0	113.6	R764 D766 D767 F771 I772	R764-D769 WeakPolarHBondContact CD-OD2 3.38Å; R764-D769 IonicContact CZ-OD2 3.26Å; R764-D769 IonicContact NE-OD2 2.81Å; R764-D769 IonicContact NH1-OD2 3.37Å; R764-D769 PolarHBondContact NH1-OD2 3.2Å; D766-D769 PolarHBondContact O-N 3.05Å; D767-D769 VanDerWaalsContact C-N 3.35Å; D769-F771 PolarHBondContact O-N 3.3Å; D769-I772 HydrophobicContact CB-CD1 3.7Å; D769-I772 HydrophobicContact CB-CG1 4.44Å; D769-I772 WeakPolarHBondContact O-CB 3.49Å; D769-I772 VanDerWaalsContact O-CG1 3.27Å; D769-I772 WeakPolarHBondContact O-CG1 3.26Å; D769-I772 PolarHBondContact O-N 3.2Å; D769-I772 VanDerWaalsContact OD2-CD1 3.29Å; D769-I772 WeakPolarHBondContact OD2-CD1 3.32Å
770	R	46	Very low	59	Low	200 Å²	200	98.7 Å²	98.7	76%	0.755	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-60.8	-15.4	-179.2	-61	-168.6	-168.2	-142.4	9.2	114.4	D767 K768	D767-R770 IonicContact OD1-CZ 3.83Å; D767-R770 IonicContact OD1-NE 3.99Å; D767-R770 PolarHBondContact OD1-NE 3.44Å; D767-R770 IonicContact OD1-NH2 3.67Å; D767-R770 PolarHBondContact OD1-NH2 3.15Å; K768-R770 VanDerWaalsContact C-N 3.3Å; K768-R770 PolarHBondContact O-N 3.23Å
771	F	48.2	Very low	60.6	Low	143 Å²	143	96.5 Å²	96.5	63%	0.627	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-85.3	-8.1	176.7	-72.4	-84.8	0	0	0	114.8	D769 L773 R774	D769-F771 PolarHBondContact O-N 3.3Å; F771-L773 VanDerWaalsContact C-N 3.29Å; F771-L773 PolarHBondContact O-N 3.36Å; F771-L773 VanDerWaalsContact O-N 3.12Å; F771-R774 WeakPolarHBondContact O-CB 3.43Å; F771-R774 PolarHBondContact O-N 3.24Å
772	I	51.4	Low	62.8	Low	61 Å²	61	94.3 Å²	94.3	31%	0.313	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-56.1	-34.6	-168.2	-77.6	173.3	0	0	0	114.2	D769 R774 Y775	D769-I772 HydrophobicContact CB-CD1 3.7Å; D769-I772 HydrophobicContact CB-CG1 4.44Å; D769-I772 WeakPolarHBondContact O-CB 3.49Å; D769-I772 VanDerWaalsContact O-CG1 3.27Å; D769-I772 WeakPolarHBondContact O-CG1 3.26Å; D769-I772 PolarHBondContact O-N 3.2Å; D769-I772 VanDerWaalsContact OD2-CD1 3.29Å; D769-I772 WeakPolarHBondContact OD2-CD1 3.32Å; I772-R774 PolarHBondContact O-N 3.15Å; I772-Y775 CarbonylContact O-C 3.58Å; I772-Y775 PolarHBondContact O-N 2.82Å
773	L	55	Low	65.3	Low	91 Å²	91	84.3 Å²	84.3	48%	0.476	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-62.8	-16.2	179.1	-62.4	-177.2	0	0	0	114	I758 F759 F771	I758-L773 HydrophobicContact CG2-CD2 3.95Å; F759-L773 HydrophobicContact CD1-CD2 3.72Å; F759-L773 HydrophobicContact CE1-CD2 4.09Å; F771-L773 VanDerWaalsContact C-N 3.29Å; F771-L773 PolarHBondContact O-N 3.36Å; F771-L773 VanDerWaalsContact O-N 3.12Å
774	R	58	Low	68	Low	158 Å²	158	81.1 Å²	81.1	60%	0.596	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-85	-17.8	172.1	-69.4	-170.3	174.6	-152.2	-1.2	114.3	F771 I772 F887	F771-R774 WeakPolarHBondContact O-CB 3.43Å; F771-R774 PolarHBondContact O-N 3.24Å; I772-R774 PolarHBondContact O-N 3.15Å; R774-F887 CarbonylContact C-O 3.56Å
775	Y	71.7	Confident	70.5	Confident	149 Å²	149	75.6 Å²	75.6	58%	0.584	36%	0.356	S	S	*	.			trans	-136.3	84.6	-169	-68	-70.9	0	0	0	112	I772 F887	I772-Y775 CarbonylContact O-C 3.58Å; I772-Y775 PolarHBondContact O-N 2.82Å; Y775-F887 CarbonylContact C-O 3.56Å; Y775-F887 WeakPolarHBondContact CA-O 3.48Å; Y775-F887 HydrophobicContact CD1-CB 3.95Å
776	V	83.7	Confident	73.1	Confident	5 Å²	5	69.4 Å²	69.4	3%	0.03	32%	0.318	C	S	.	.			trans	-94.7	167.3	173.4	-52.8	0	0	0	0	111.2	I758 V780 A781 F887 C889	I758-V776 HydrophobicContact CD1-CB 3.77Å; I758-V776 HydrophobicContact CD1-CG1 3.62Å; I758-V776 HydrophobicContact CG1-CG1 4.19Å; I758-V776 HydrophobicContact CG2-CG1 3.81Å; V776-V780 HydrophobicContact CB-CB 4.23Å; V776-V780 HydrophobicContact CB-CG1 4.5Å; V776-V780 HydrophobicContact CG2-CB 3.98Å; V776-V780 HydrophobicContact CG2-CG1 4.3Å; V776-A781 HydrophobicContact CG2-CB 3.86Å; V776-F887 WeakPolarHBondContact CG2-O 3.43Å; V776-F887 PolarHBondContact N-O 3.22Å; V776-F887 WeakPolarHBondContact O-CA 3.29Å; V776-C889 HydrophobicContact CG1-CB 3.66Å; V776-C889 HydrophobicContact CG2-CB 4.48Å
777	Q	87.5	Confident	75.3	Confident	97 Å²	97	64.4 Å²	64.4	45%	0.453	29%	0.292	S	S	.	.			trans	-75.3	152.4	175	-64.4	-62.4	-44.3	0	0	111.8	E779 V780 A781 R827	Q777-E779 VanDerWaalsContact C-N 3.27Å; Q777-E779 VanDerWaalsContact CB-CD 3.45Å; Q777-E779 HydrophobicContact CB-CG 4.5Å; Q777-E779 WeakPolarHBondContact CB-OE1 3.32Å; Q777-E779 WeakPolarHBondContact CB-OE2 3.33Å; Q777-E779 PolarHBondContact O-N 3.29Å; Q777-V780 WeakPolarHBondContact O-CB 3.33Å; Q777-V780 PolarHBondContact O-N 3.48Å; Q777-A781 PolarHBondContact O-N 2.68Å; Q777-R827 VanDerWaalsContact OE1-NH1 3.14Å
778	P	91	Very high	77.5	Confident	4 Å²	4	60.6 Å²	60.6	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-59	-31.3	-174.1	-26.8	35.7	0	0	0	115.2	V780 A781 L782 R827 Y831 E886 F887	P778-V780 PolarHBondContact O-N 3.21Å; P778-V780 VanDerWaalsContact O-N 3.15Å; P778-A781 PolarHBondContact O-N 3.26Å; P778-L782 HydrophobicContact CB-CD1 4.21Å; P778-L782 WeakPolarHBondContact O-CB 3.26Å; P778-L782 PolarHBondContact O-N 3.13Å; P778-R827 HydrophobicContact CG-CG 4.23Å; P778-Y831 HydrophobicContact CB-CD2 3.65Å; P778-Y831 HydrophobicContact CB-CE2 4.04Å; P778-Y831 HydrophobicContact CG-CD2 4.05Å; P778-Y831 HydrophobicContact CG-CE2 4.09Å; P778-E886 WeakPolarHBondContact CA-O 3.42Å; P778-F887 HydrophobicContact CG-CD1 4.22Å; P778-F887 HydrophobicContact CG-CE1 3.71Å; P778-F887 HydrophobicContact CG-CZ 4.38Å
779	E	92.5	Very high	79.6	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.019	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-8.6	173.6	67.3	-86.6	-160.7	0	0	114.4	F754 Q777 F783 Y822 S823 F826 R827	F754-E779 HydrophobicContact CD2-CG 4.37Å; F754-E779 HydrophobicContact CE2-CG 4.43Å; Q777-E779 VanDerWaalsContact C-N 3.27Å; Q777-E779 VanDerWaalsContact CB-CD 3.45Å; Q777-E779 HydrophobicContact CB-CG 4.5Å; Q777-E779 WeakPolarHBondContact CB-OE1 3.32Å; Q777-E779 WeakPolarHBondContact CB-OE2 3.33Å; Q777-E779 PolarHBondContact O-N 3.29Å; E779-F783 WeakPolarHBondContact O-CB 3.44Å; E779-Y822 HydrophobicContact CB-CE1 4.44Å; E779-S823 VanDerWaalsContact OE1-CB 3.29Å; E779-S823 WeakPolarHBondContact OE1-CB 3.37Å; E779-S823 PolarHBondContact OE1-OG 2.76Å; E779-F826 HydrophobicContact CB-CB 3.88Å; E779-F826 HydrophobicContact CB-CD1 3.58Å; E779-F826 HydrophobicContact CB-CD2 4.1Å; E779-F826 HydrophobicContact CB-CE1 4.1Å; E779-F826 HydrophobicContact CB-CG 3.58Å; E779-R827 IonicContact OE1-CZ 3Å; E779-R827 IonicContact OE1-NH1 3.88Å; E779-R827 PolarHBondContact OE1-NH1 2.51Å; E779-R827 IonicContact OE2-CZ 3.08Å; E779-R827 IonicContact OE2-NH1 3.88Å; E779-R827 PolarHBondContact OE2-NH1 2.95Å
780	V	91.7	Very high	81.9	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-101.9	-47.8	172.6	-170.2	0	0	0	0	110.8	H751 F754 L755 I758 V776 Q777 P778	H751-V780 PolarHBondContact CE1-O 3.49Å; F754-V780 HydrophobicContact CB-CG2 3.56Å; F754-V780 HydrophobicContact CG-CG2 4.35Å; L755-V780 HydrophobicContact CD2-CG1 3.42Å; L755-V780 VanDerWaalsContact CD2-CG1 3.42Å; L755-V780 HydrophobicContact CG-CG1 3.84Å; I758-V780 HydrophobicContact CD1-CB 4.09Å; I758-V780 HydrophobicContact CD1-CG1 3.73Å; I758-V780 HydrophobicContact CD1-CG2 3.8Å; V776-V780 HydrophobicContact CB-CB 4.23Å; V776-V780 HydrophobicContact CB-CG1 4.5Å; V776-V780 HydrophobicContact CG2-CB 3.98Å; V776-V780 HydrophobicContact CG2-CG1 4.3Å; Q777-V780 WeakPolarHBondContact O-CB 3.33Å; Q777-V780 PolarHBondContact O-N 3.48Å; P778-V780 PolarHBondContact O-N 3.21Å; P778-V780 VanDerWaalsContact O-N 3.15Å
781	A	90.7	Very high	84.2	Confident	10 Å²	10	40.1 Å²	40.1	8%	0.083	19%	0.187	C	C	.	.	H	α-helix	trans	-66	-44.5	-180	0	0	0	0	0	113.2	V776 Q777 P778 E886 T888	V776-A781 HydrophobicContact CG2-CB 3.86Å; Q777-A781 PolarHBondContact O-N 2.68Å; P778-A781 PolarHBondContact O-N 3.26Å; A781-E886 VanDerWaalsContact CB-O 3.26Å; A781-E886 WeakPolarHBondContact CB-O 3.4Å; A781-T888 WeakPolarHBondContact CB-O 3.32Å
782	L	93.5	Very high	86.5	Confident	11 Å²	11	33.5 Å²	33.5	6%	0.058	16%	0.158	C	C	.	.	S	Bend	trans	-99.1	-14.2	-169.2	-59.3	175	0	0	0	113.9	P778 V785 V786 F826 Y831 L834 W835 E886	P778-L782 HydrophobicContact CB-CD1 4.21Å; P778-L782 WeakPolarHBondContact O-CB 3.26Å; P778-L782 PolarHBondContact O-N 3.13Å; L782-V785 WeakPolarHBondContact O-CB 3.04Å; L782-V785 PolarHBondContact O-N 2.9Å; L782-V785 VanDerWaalsContact O-N 3.13Å; L782-V786 PolarHBondContact O-N 2.65Å; L782-F826 HydrophobicContact CB-CE1 4.48Å; L782-F826 HydrophobicContact CB-CZ 4.42Å; L782-Y831 HydrophobicContact CD1-CD2 3.77Å; L782-Y831 HydrophobicContact CD1-CE2 4Å; L782-L834 HydrophobicContact CB-CD1 4.27Å; L782-L834 HydrophobicContact CD1-CD1 4.46Å; L782-L834 HydrophobicContact CD1-CD2 4.46Å; L782-W835 HydrophobicContact CD1-CZ2 4.2Å; L782-W835 HydrophobicContact CD2-CZ2 4.27Å; L782-E886 HydrophobicContact CD1-CB 4.25Å; L782-E886 HydrophobicContact CD1-CG 4.02Å; L782-E886 HydrophobicContact CD2-CG 4.32Å
783	F	95.9	Very high	88.6	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.5	-39.7	-178	174.8	-91.3	0	0	0	114.2	L516 F747 L748 H751 E779 V785 V786 A787 L796 F826	L516-F783 HydrophobicContact CD1-CD1 4.23Å; L516-F783 HydrophobicContact CD1-CE1 3.87Å; F747-F783 VanDerWaalsContact C-CZ 3.5Å; F747-F783 HydrophobicContact CB-CE2 3.69Å; F747-F783 HydrophobicContact CB-CZ 3.75Å; L748-F783 HydrophobicContact CD2-CE1 3.87Å; L748-F783 HydrophobicContact CD2-CZ 3.97Å; H751-F783 HydrophobicContact CB-CB 4.33Å; H751-F783 HydrophobicContact CB-CD1 3.25Å; H751-F783 HydrophobicContact CB-CE1 3.65Å; H751-F783 HydrophobicContact CB-CG 3.81Å; H751-F783 AromaticContact CD2-CD1 3.78Å; H751-F783 AromaticContact CG-CD1 3.31Å; H751-F783 AromaticContact ND1-CD1 3.75Å; E779-F783 WeakPolarHBondContact O-CB 3.44Å; F783-V785 VanDerWaalsContact C-N 3.27Å; F783-V785 PolarHBondContact O-N 3Å; F783-V786 CarbonylContact O-C 3.55Å; F783-V786 WeakPolarHBondContact O-CB 3.32Å; F783-V786 PolarHBondContact O-N 2.82Å; F783-V786 VanDerWaalsContact O-N 3.13Å; F783-A787 HydrophobicContact CE1-CB 4.11Å; F783-A787 HydrophobicContact CZ-CB 4.11Å; F783-A787 WeakPolarHBondContact O-CB 3.48Å; F783-A787 PolarHBondContact O-N 2.88Å; F783-L796 HydrophobicContact CD2-CD2 4.05Å; F783-L796 HydrophobicContact CE2-CD2 3.78Å; F783-F826 HydrophobicContact CB-CE2 4.4Å; F783-F826 HydrophobicContact CB-CZ 4.5Å; F783-F826 HydrophobicContact CD2-CE2 4.24Å
784	P	94.9	Very high	90.5	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.013	12%	0.121	C	C	.	.	H	α-helix	trans	-61.8	-35.3	176.8	-23.8	35	0	0	0	112.9	Q513 L516 A787 D788 P890	Q513-P784 HydrophobicContact CB-CB 4.26Å; Q513-P784 HydrophobicContact CG-CB 4.4Å; L516-P784 HydrophobicContact CB-CB 4.5Å; L516-P784 HydrophobicContact CB-CG 4.38Å; L516-P784 HydrophobicContact CD1-CB 4.37Å; P784-A787 PolarHBondContact O-N 3.35Å; P784-D788 PolarHBondContact O-N 3.39Å; P784-D788 VanDerWaalsContact O-N 3.11Å; P784-P890 HydrophobicContact CG-CG 4.37Å
785	V	92.9	Very high	92.3	Very high	55 Å²	55	18.8 Å²	18.8	33%	0.333	9%	0.092	S	C	.	.	H	α-helix	trans	-69.5	-38.9	174	-176.6	0	0	0	0	111.3	L782 F783 A787 D788 C789	L782-V785 WeakPolarHBondContact O-CB 3.04Å; L782-V785 PolarHBondContact O-N 2.9Å; L782-V785 VanDerWaalsContact O-N 3.13Å; F783-V785 VanDerWaalsContact C-N 3.27Å; F783-V785 PolarHBondContact O-N 3Å; V785-A787 VanDerWaalsContact C-N 3.32Å; V785-A787 PolarHBondContact O-N 3.12Å; V785-D788 PolarHBondContact O-N 3.45Å; V785-C789 PolarHBondContact O-N 2.91Å
786	V	95.8	Very high	93.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.9	-38.9	171.6	164.8	0	0	0	0	111.6	L782 F783 D788 C789 L792 I793 L796 F826 I830 L834	L782-V786 PolarHBondContact O-N 2.65Å; F783-V786 CarbonylContact O-C 3.55Å; F783-V786 WeakPolarHBondContact O-CB 3.32Å; F783-V786 PolarHBondContact O-N 2.82Å; F783-V786 VanDerWaalsContact O-N 3.13Å; V786-D788 VanDerWaalsContact C-N 3.35Å; V786-C789 PolarHBondContact O-N 3.37Å; V786-L792 HydrophobicContact CB-CB 4.32Å; V786-L792 HydrophobicContact CG1-CB 3.98Å; V786-L792 HydrophobicContact CG2-CB 4.27Å; V786-L792 HydrophobicContact CG2-CD1 4.3Å; V786-I793 HydrophobicContact CG1-CB 4.47Å; V786-I793 PolarHBondContact O-N 2.99Å; V786-L796 HydrophobicContact CG1-CD2 4.07Å; V786-F826 HydrophobicContact CG1-CE2 4.45Å; V786-F826 HydrophobicContact CG2-CE2 4.17Å; V786-F826 HydrophobicContact CG2-CZ 3.86Å; V786-I830 HydrophobicContact CG1-CG2 4.3Å; V786-I830 HydrophobicContact CG2-CG2 3.73Å; V786-L834 HydrophobicContact CG2-CD1 3.75Å
787	A	96.2	Very high	94.1	Very high	5 Å²	5	12.1 Å²	12.1	4%	0.041	7%	0.066	C	C	.	.	H	α-helix	trans	-69.7	-30.7	178.8	0	0	0	0	0	113.1	Y512 L516 L748 F783 P784 V785 I793	Y512-A787 HydrophobicContact CD2-CB 3.92Å; Y512-A787 WeakPolarHBondContact CD2-O 3.42Å; Y512-A787 HydrophobicContact CG-CB 3.95Å; L516-A787 HydrophobicContact CD1-CB 4.45Å; L748-A787 HydrophobicContact CD2-CB 4.47Å; F783-A787 HydrophobicContact CE1-CB 4.11Å; F783-A787 HydrophobicContact CZ-CB 4.11Å; F783-A787 WeakPolarHBondContact O-CB 3.48Å; F783-A787 PolarHBondContact O-N 2.88Å; P784-A787 PolarHBondContact O-N 3.35Å; V785-A787 VanDerWaalsContact C-N 3.32Å; V785-A787 PolarHBondContact O-N 3.12Å; A787-I793 HydrophobicContact CB-CD1 4.15Å
788	D	95	Very high	94.5	Very high	30 Å²	30	7.6 Å²	7.6	16%	0.16	5%	0.045	C	C	.	.	H	α-helix	trans	-78.2	-14.8	174	-80	-37.5	0	0	0	114.2	N511 Y512 Q513 P784 V785 V786 S843	N511-D788 WeakPolarHBondContact CB-OD1 3.42Å; N511-D788 WeakPolarHBondContact CB-OD2 3.47Å; Y512-D788 WeakPolarHBondContact CB-OD1 3.46Å; Y512-D788 VanDerWaalsContact CD2-OD1 3.3Å; Y512-D788 WeakPolarHBondContact CD2-OD1 3.16Å; Y512-D788 VanDerWaalsContact N-CG 3.33Å; Y512-D788 PolarHBondContact N-OD1 2.61Å; Y512-D788 PolarHBondContact N-OD2 3.17Å; Y512-D788 VanDerWaalsContact N-OD2 3.14Å; Q513-D788 WeakPolarHBondContact CB-OD2 3.24Å; Q513-D788 PolarHBondContact N-OD2 3.15Å; P784-D788 PolarHBondContact O-N 3.39Å; P784-D788 VanDerWaalsContact O-N 3.11Å; V785-D788 PolarHBondContact O-N 3.45Å; V786-D788 VanDerWaalsContact C-N 3.35Å; D788-S843 WeakPolarHBondContact O-CA 3.45Å; D788-S843 VanDerWaalsContact O-CB 3.31Å; D788-S843 WeakPolarHBondContact O-CB 3.44Å
789	C	94.7	Very high	94.7	Very high	3 Å²	3	7.4 Å²	7.4	2%	0.02	4%	0.043	C	C	.	.			trans	-102.7	114.2	173.5	-179.4	0	0	0	0	111.7	V785 V786 L791 L792 I793 F841 P842	V785-C789 PolarHBondContact O-N 2.91Å; V786-C789 PolarHBondContact O-N 3.37Å; C789-L791 PolarHBondContact O-N 3Å; C789-L791 VanDerWaalsContact O-N 3.16Å; C789-L792 HydrophobicContact CB-CB 4.08Å; C789-L792 HydrophobicContact CB-CD1 3.94Å; C789-L792 HydrophobicContact CB-CG 4.12Å; C789-L792 PolarHBondContact O-N 3.38Å; C789-L792 VanDerWaalsContact O-N 3.14Å; C789-I793 PolarHBondContact O-N 2.95Å; C789-I793 VanDerWaalsContact O-N 3.09Å; C789-F841 VanDerWaalsContact SG-C 3.58Å; C789-P842 PolarHBondContact SG-O 3.24Å
790	P	94	Very high	94.8	Very high	12 Å²	12	7.7 Å²	7.7	8%	0.078	4%	0.044	C	C	.	.	H	α-helix	trans	-54.5	-38.9	-178.6	-23.3	29.4	0	0	0	113.8	Y589 H607 E794 S843 F850	Y589-P790 HydrophobicContact CE1-CG 4Å; Y589-P790 WeakPolarHBondContact OH-CG 3.33Å; H607-P790 HydrophobicContact CB-CB 4.14Å; P790-E794 VanDerWaalsContact O-CB 3.31Å; P790-E794 WeakPolarHBondContact O-CB 3.34Å; P790-E794 WeakPolarHBondContact O-CG 3.43Å; P790-E794 PolarHBondContact O-N 2.62Å; P790-E794 VanDerWaalsContact O-N 3.13Å; P790-S843 WeakPolarHBondContact CD-O 3.29Å; P790-F850 HydrophobicContact CB-CD2 4.43Å; P790-F850 HydrophobicContact CB-CE2 4.46Å
791	L	94.4	Very high	94.9	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-71.5	-40.7	-178	-169.3	57.9	0	0	0	111.5	I609 C789 C795 F841 M845 F850 E853 V857	I609-L791 HydrophobicContact CD1-CD1 4.11Å; C789-L791 PolarHBondContact O-N 3Å; C789-L791 VanDerWaalsContact O-N 3.16Å; L791-C795 VanDerWaalsContact O-CB 3.31Å; L791-C795 WeakPolarHBondContact O-CB 3.43Å; L791-C795 PolarHBondContact O-N 3.02Å; L791-C795 PolarHBondContact O-SG 3.21Å; L791-F841 HydrophobicContact CB-CD1 4.26Å; L791-F841 HydrophobicContact CD2-CD1 4.1Å; L791-F841 HydrophobicContact CD2-CE1 3.92Å; L791-F841 HydrophobicContact CG-CD1 4.3Å; L791-F841 HydrophobicContact CG-CE1 4.1Å; L791-M845 HydrophobicContact CB-CE 4.02Å; L791-M845 HydrophobicContact CB-SD 4.32Å; L791-M845 HydrophobicContact CD2-CE 4.05Å; L791-M845 HydrophobicContact CD2-SD 4.47Å; L791-F850 HydrophobicContact CB-CD2 4.36Å; L791-F850 HydrophobicContact CB-CE2 4.24Å; L791-F850 HydrophobicContact CD1-CD2 4.08Å; L791-F850 HydrophobicContact CD1-CE2 3.77Å; L791-F850 HydrophobicContact CD1-CZ 4.24Å; L791-E853 HydrophobicContact CD2-CB 3.89Å; L791-V857 HydrophobicContact CD2-CG2 3.93Å; L791-V857 HydrophobicContact CG-CG2 4.33Å
792	L	95.4	Very high	95	Very high	3 Å²	3	10.6 Å²	10.6	2%	0.016	6%	0.057	C	C	.	.	H	α-helix	trans	-70.3	-42.4	178.5	-68.1	172.9	0	0	0	112.6	V786 C789 E794 C795 L796 L833 L834 F841	V786-L792 HydrophobicContact CB-CB 4.32Å; V786-L792 HydrophobicContact CG1-CB 3.98Å; V786-L792 HydrophobicContact CG2-CB 4.27Å; V786-L792 HydrophobicContact CG2-CD1 4.3Å; C789-L792 HydrophobicContact CB-CB 4.08Å; C789-L792 HydrophobicContact CB-CD1 3.94Å; C789-L792 HydrophobicContact CB-CG 4.12Å; C789-L792 PolarHBondContact O-N 3.38Å; C789-L792 VanDerWaalsContact O-N 3.14Å; L792-E794 VanDerWaalsContact C-N 3.35Å; L792-C795 PolarHBondContact O-N 2.86Å; L792-L796 WeakPolarHBondContact O-CB 3.22Å; L792-L796 PolarHBondContact O-N 2.84Å; L792-L833 HydrophobicContact CD2-CB 4.39Å; L792-L834 HydrophobicContact CD1-CD1 4.06Å; L792-L834 HydrophobicContact CD1-CG 4.23Å; L792-F841 HydrophobicContact CD1-CB 3.85Å; L792-F841 HydrophobicContact CD1-CD1 4.15Å; L792-F841 HydrophobicContact CD1-CG 3.94Å; L792-F841 HydrophobicContact CD2-CD1 3.56Å; L792-F841 HydrophobicContact CD2-CD2 4.28Å; L792-F841 HydrophobicContact CD2-CE1 3.54Å; L792-F841 HydrophobicContact CD2-CE2 4.29Å; L792-F841 HydrophobicContact CD2-CG 3.93Å; L792-F841 HydrophobicContact CD2-CZ 3.92Å; L792-F841 HydrophobicContact CG-CB 4.12Å; L792-F841 HydrophobicContact CG-CD1 3.5Å; L792-F841 HydrophobicContact CG-CE1 4.01Å; L792-F841 HydrophobicContact CG-CG 3.82Å
793	I	96.1	Very high	95.1	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-68.5	-33.1	177	-168.8	155.7	0	0	0	112.5	Y744 V786 A787 C789 L796 R797	Y744-I793 HydrophobicContact CD1-CD1 4.11Å; Y744-I793 HydrophobicContact CD1-CG1 4.11Å; Y744-I793 HydrophobicContact CD2-CD1 3.57Å; Y744-I793 HydrophobicContact CD2-CG1 4.2Å; Y744-I793 HydrophobicContact CD2-CG2 4.37Å; Y744-I793 HydrophobicContact CE1-CG1 4.21Å; Y744-I793 HydrophobicContact CE1-CG2 4.32Å; Y744-I793 HydrophobicContact CE2-CD1 4.04Å; Y744-I793 HydrophobicContact CE2-CG1 4.27Å; Y744-I793 HydrophobicContact CE2-CG2 3.68Å; Y744-I793 HydrophobicContact CG-CD1 3.61Å; Y744-I793 HydrophobicContact CG-CG1 4.13Å; V786-I793 HydrophobicContact CG1-CB 4.47Å; V786-I793 PolarHBondContact O-N 2.99Å; A787-I793 HydrophobicContact CB-CD1 4.15Å; C789-I793 PolarHBondContact O-N 2.95Å; C789-I793 VanDerWaalsContact O-N 3.09Å; I793-L796 PolarHBondContact O-N 2.9Å; I793-R797 WeakPolarHBondContact O-CB 3.24Å; I793-R797 PolarHBondContact O-N 2.73Å
794	E	95.9	Very high	94.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-68.9	-41.4	171.9	-86.6	-62.9	104.4	0	0	112.9	H607 N608 I609 P790 L792 L796 R797 V798 F850	H607-E794 WeakPolarHBondContact O-CG 3.27Å; N608-E794 VanDerWaalsContact CA-OE2 3.25Å; N608-E794 WeakPolarHBondContact CA-OE2 3.4Å; I609-E794 HydrophobicContact CB-CB 4.12Å; I609-E794 HydrophobicContact CG2-CB 4.03Å; I609-E794 PolarHBondContact N-OE2 2.68Å; P790-E794 VanDerWaalsContact O-CB 3.31Å; P790-E794 WeakPolarHBondContact O-CB 3.34Å; P790-E794 WeakPolarHBondContact O-CG 3.43Å; P790-E794 PolarHBondContact O-N 2.62Å; P790-E794 VanDerWaalsContact O-N 3.13Å; L792-E794 VanDerWaalsContact C-N 3.35Å; E794-L796 VanDerWaalsContact C-N 3.3Å; E794-L796 PolarHBondContact O-N 2.9Å; E794-R797 PolarHBondContact O-N 3.02Å; E794-R797 IonicContact OE1-CZ 3.76Å; E794-R797 IonicContact OE1-NE 2.72Å; E794-R797 PolarHBondContact OE1-NE 3.01Å; E794-R797 IonicContact OE1-NH2 2.7Å; E794-R797 PolarHBondContact OE1-NH2 3.28Å; E794-R797 IonicContact OE2-CZ 2.82Å; E794-R797 IonicContact OE2-NE 3.63Å; E794-R797 IonicContact OE2-NH2 2.95Å; E794-R797 PolarHBondContact OE2-NH2 3.45Å; E794-V798 PolarHBondContact O-N 3.38Å; E794-F850 HydrophobicContact CB-CE2 4.3Å; E794-F850 HydrophobicContact CB-CZ 4.05Å; E794-F850 HydrophobicContact CG-CE2 4.25Å; E794-F850 HydrophobicContact CG-CZ 3.92Å
795	C	95.5	Very high	94.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-58.3	-44	172.3	-72.4	0	0	0	0	111.2	I609 L791 L792 S799 I830 L833 V857 I861	I609-C795 VanDerWaalsContact CD1-SG 3.56Å; L791-C795 VanDerWaalsContact O-CB 3.31Å; L791-C795 WeakPolarHBondContact O-CB 3.43Å; L791-C795 PolarHBondContact O-N 3.02Å; L791-C795 PolarHBondContact O-SG 3.21Å; L792-C795 PolarHBondContact O-N 2.86Å; C795-S799 WeakPolarHBondContact O-CB 3.36Å; C795-S799 PolarHBondContact O-N 2.98Å; C795-S799 PolarHBondContact O-OG 3.29Å; C795-I830 HydrophobicContact CB-CD1 4.13Å; C795-L833 HydrophobicContact CB-CD1 4.45Å; C795-V857 WeakPolarHBondContact SG-CG1 3.47Å; C795-I861 HydrophobicContact CB-CD1 3.76Å
796	L	96.9	Very high	94.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.7	-51	172.8	173.3	59.9	0	0	0	111.5	F747 F783 V786 L792 I793 E794 S799 W800 Y822 F826 I830	F747-L796 HydrophobicContact CB-CD2 4.43Å; F747-L796 HydrophobicContact CD1-CD1 4.32Å; F747-L796 HydrophobicContact CD1-CD2 3.81Å; F747-L796 HydrophobicContact CD1-CG 3.78Å; F747-L796 HydrophobicContact CE1-CD1 4.38Å; F747-L796 HydrophobicContact CE1-CD2 4.5Å; F747-L796 HydrophobicContact CE1-CG 3.97Å; F747-L796 HydrophobicContact CG-CD2 4.32Å; F783-L796 HydrophobicContact CD2-CD2 4.05Å; F783-L796 HydrophobicContact CE2-CD2 3.78Å; V786-L796 HydrophobicContact CG1-CD2 4.07Å; L792-L796 WeakPolarHBondContact O-CB 3.22Å; L792-L796 PolarHBondContact O-N 2.84Å; I793-L796 PolarHBondContact O-N 2.9Å; E794-L796 VanDerWaalsContact C-N 3.3Å; E794-L796 PolarHBondContact O-N 2.9Å; L796-S799 PolarHBondContact O-OG 2.94Å; L796-W800 WeakPolarHBondContact O-CB 3.31Å; L796-W800 PolarHBondContact O-N 3.18Å; L796-Y822 HydrophobicContact CD1-CE2 3.87Å; L796-Y822 WeakPolarHBondContact CD2-OH 3.38Å; L796-F826 HydrophobicContact CD1-CD2 4.14Å; L796-F826 HydrophobicContact CD2-CD2 4.38Å; L796-F826 HydrophobicContact CD2-CE2 4.35Å; L796-I830 HydrophobicContact CB-CD1 3.95Å; L796-I830 HydrophobicContact CB-CG1 4.04Å; L796-I830 HydrophobicContact CD1-CG1 3.98Å
797	R	96.2	Very high	94.6	Very high	14 Å²	14	22.5 Å²	22.5	5%	0.053	11%	0.105	C	C	.	.	H	α-helix	trans	-58.4	-53.3	-177.8	-174.8	-177.4	67.6	95.6	1.9	111.9	N608 Y616 F747 I793 E794 Q801	N608-R797 PolarHBondContact OD1-NH2 3.17Å; N608-R797 VanDerWaalsContact OD1-NH2 3.13Å; Y616-R797 PolarHBondContact O-NH1 2.99Å; Y616-R797 PolarHBondContact O-NH2 3.41Å; Y616-R797 VanDerWaalsContact O-NH2 3.09Å; F747-R797 HydrophobicContact CE2-CB 4.1Å; F747-R797 HydrophobicContact CE2-CG 3.92Å; F747-R797 HydrophobicContact CZ-CB 4.04Å; F747-R797 HydrophobicContact CZ-CG 4.01Å; I793-R797 WeakPolarHBondContact O-CB 3.24Å; I793-R797 PolarHBondContact O-N 2.73Å; E794-R797 PolarHBondContact O-N 3.02Å; E794-R797 IonicContact OE1-CZ 3.76Å; E794-R797 IonicContact OE1-NE 2.72Å; E794-R797 PolarHBondContact OE1-NE 3.01Å; E794-R797 IonicContact OE1-NH2 2.7Å; E794-R797 PolarHBondContact OE1-NH2 3.28Å; E794-R797 IonicContact OE2-CZ 2.82Å; E794-R797 IonicContact OE2-NE 3.63Å; E794-R797 IonicContact OE2-NH2 2.95Å; E794-R797 PolarHBondContact OE2-NH2 3.45Å; R797-Q801 VanDerWaalsContact O-CB 3.28Å; R797-Q801 WeakPolarHBondContact O-CB 3.33Å; R797-Q801 PolarHBondContact O-N 3.21Å
798	V	95.2	Very high	94.4	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	13%	0.129	C	C	.	.	H	α-helix	trans	-70.4	-44.7	-175.5	167.2	0	0	0	0	111.9	I609 K610 Y616 E794 W800 Q801 D802	I609-V798 HydrophobicContact CG2-CB 3.81Å; I609-V798 HydrophobicContact CG2-CG1 4.28Å; I609-V798 HydrophobicContact CG2-CG2 3.4Å; I609-V798 VanDerWaalsContact CG2-CG2 3.4Å; K610-V798 HydrophobicContact CD-CG1 3.65Å; K610-V798 HydrophobicContact CG-CG1 4.04Å; Y616-V798 HydrophobicContact CD1-CB 4.26Å; Y616-V798 HydrophobicContact CD1-CG1 3.91Å; Y616-V798 HydrophobicContact CD1-CG2 3.96Å; Y616-V798 HydrophobicContact CE1-CG1 3.87Å; Y616-V798 HydrophobicContact CG-CG1 4.46Å; Y616-V798 HydrophobicContact CG-CG2 4.06Å; E794-V798 PolarHBondContact O-N 3.38Å; V798-W800 VanDerWaalsContact C-N 3.35Å; V798-W800 PolarHBondContact O-N 2.96Å; V798-Q801 PolarHBondContact O-N 2.94Å; V798-D802 PolarHBondContact O-N 2.86Å
799	S	95.4	Very high	94.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-67	-35.6	178.5	67.5	0	0	0	0	112.4	C795 L796 D802 R803 H825	C795-S799 WeakPolarHBondContact O-CB 3.36Å; C795-S799 PolarHBondContact O-N 2.98Å; C795-S799 PolarHBondContact O-OG 3.29Å; L796-S799 PolarHBondContact O-OG 2.94Å; S799-D802 PolarHBondContact O-N 3.46Å; S799-R803 PolarHBondContact O-N 2.96Å; S799-H825 PolarHBondContact O-CE1 3.42Å; S799-H825 PolarHBondContact OG-NE2 3.38Å
800	W	95.6	Very high	93.8	Very high	10 Å²	10	33.9 Å²	33.9	4%	0.038	18%	0.181	C	C	.	.	H	α-helix	trans	-67.9	-41.6	173.4	179.8	-120.8	0	0	0	111.5	F747 L796 V798 D802 R803 L804 L818 L821 Y822 H825	F747-W800 HydrophobicContact CE1-CB 4.08Å; F747-W800 AromaticContact CE1-CD1 3.56Å; F747-W800 HydrophobicContact CE1-CG 4.04Å; F747-W800 AromaticContact CZ-CD1 3.92Å; L796-W800 WeakPolarHBondContact O-CB 3.31Å; L796-W800 PolarHBondContact O-N 3.18Å; V798-W800 VanDerWaalsContact C-N 3.35Å; V798-W800 PolarHBondContact O-N 2.96Å; W800-D802 VanDerWaalsContact C-N 3.26Å; W800-D802 PolarHBondContact O-N 2.53Å; W800-R803 HydrophobicContact CE3-CB 4.03Å; W800-R803 HydrophobicContact CE3-CG 4.14Å; W800-R803 HydrophobicContact CZ3-CB 4.36Å; W800-R803 HydrophobicContact CZ3-CG 3.98Å; W800-R803 CarbonylContact O-C 3.55Å; W800-R803 WeakPolarHBondContact O-CB 3.42Å; W800-R803 PolarHBondContact O-N 2.82Å; W800-R803 VanDerWaalsContact O-N 3.08Å; W800-L804 HydrophobicContact CD2-CG 4.29Å; W800-L804 HydrophobicContact CH2-CD2 4.31Å; W800-L804 HydrophobicContact CZ2-CD2 3.73Å; W800-L804 HydrophobicContact CZ2-CG 4.19Å; W800-L804 WeakPolarHBondContact O-CG 3.43Å; W800-L804 PolarHBondContact O-N 3.01Å; W800-L818 HydrophobicContact CH2-CD2 4.48Å; W800-L818 HydrophobicContact CZ2-CD2 4.29Å; W800-L821 HydrophobicContact CH2-CB 4.06Å; W800-L821 HydrophobicContact CH2-CD2 3.91Å; W800-L821 HydrophobicContact CH2-CG 3.92Å; W800-L821 HydrophobicContact CZ3-CB 4.41Å; W800-L821 HydrophobicContact CZ3-CD2 4.14Å; W800-L821 HydrophobicContact CZ3-CG 3.92Å; W800-Y822 AromaticContact CD2-CD2 3.97Å; W800-Y822 HydrophobicContact CD2-CD2 3.97Å; W800-Y822 AromaticContact CE2-CD2 3.92Å; W800-Y822 HydrophobicContact CE3-CD2 4.26Å; W800-Y822 HydrophobicContact CG-CD2 4.39Å; W800-Y822 HydrophobicContact CH2-CD2 4.48Å; W800-Y822 HydrophobicContact CZ2-CD2 4.19Å; W800-Y822 VanDerWaalsContact CZ3-CA 3.47Å; W800-H825 HydrophobicContact CE3-CB 3.88Å; W800-H825 AromaticContact CE3-CD2 3.98Å; W800-H825 AromaticContact CE3-CG 3.76Å; W800-H825 HydrophobicContact CZ3-CB 3.9Å; W800-H825 PolarHBondContact N-NE2 2.87Å
801	Q	93.6	Very high	93.6	Very high	54 Å²	54	34.9 Å²	34.9	25%	0.252	19%	0.188	S	C	.	.	H	α-helix	trans	-65.4	-30.6	177.3	-165.6	172.6	8.3	0	0	112.2	L615 Y616 R797 V798 K805	L615-Q801 PolarHBondContact O-NE2 3Å; L615-Q801 PolarHBondContact O-OE1 3.41Å; Y616-Q801 HydrophobicContact CD1-CB 4.29Å; Y616-Q801 HydrophobicContact CD1-CG 4.39Å; R797-Q801 VanDerWaalsContact O-CB 3.28Å; R797-Q801 WeakPolarHBondContact O-CB 3.33Å; R797-Q801 PolarHBondContact O-N 3.21Å; V798-Q801 PolarHBondContact O-N 2.94Å; Q801-K805 WeakPolarHBondContact O-CE 3.34Å; Q801-K805 WeakPolarHBondContact O-CG 3.21Å; Q801-K805 PolarHBondContact O-N 3.33Å
802	D	92.9	Very high	93.4	Very high	20 Å²	20	39.2 Å²	39.2	11%	0.107	21%	0.207	C	C	.	.	H	α-helix	trans	-66.3	-47	166.5	-81.3	-12.2	0	0	0	112.6	Y616 V798 S799 W800 L804 K805 E806 R865	Y616-D802 WeakPolarHBondContact CE1-OD1 3.29Å; Y616-D802 PolarHBondContact OH-OD1 2.82Å; Y616-D802 VanDerWaalsContact OH-OD1 3.14Å; V798-D802 PolarHBondContact O-N 2.86Å; S799-D802 PolarHBondContact O-N 3.46Å; W800-D802 VanDerWaalsContact C-N 3.26Å; W800-D802 PolarHBondContact O-N 2.53Å; D802-L804 PolarHBondContact O-N 3.09Å; D802-K805 WeakPolarHBondContact O-CA 3.41Å; D802-K805 VanDerWaalsContact O-CB 3.29Å; D802-K805 WeakPolarHBondContact O-CB 3.07Å; D802-K805 PolarHBondContact O-N 3.47Å; D802-K805 WeakPolarHBondContact OD1-CE 3.5Å; D802-K805 IonicContact OD1-NZ 2.78Å; D802-K805 PolarHBondContact OD1-NZ 3.13Å; D802-E806 PolarHBondContact O-N 3.42Å; D802-R865 IonicContact OD2-CZ 3.78Å; D802-R865 IonicContact OD2-NH1 3.78Å; D802-R865 PolarHBondContact OD2-NH1 2.97Å; D802-R865 IonicContact OD2-NH2 2.91Å
803	R	93.6	Very high	93	Very high	76 Å²	76	48 Å²	48	29%	0.287	25%	0.246	S	C	.	.	H	α-helix	trans	-59.4	-33.1	177.2	-171.5	54.5	164.5	167.5	-0.8	112.3	S799 W800 K805 E806 L821	S799-R803 PolarHBondContact O-N 2.96Å; W800-R803 HydrophobicContact CE3-CB 4.03Å; W800-R803 HydrophobicContact CE3-CG 4.14Å; W800-R803 HydrophobicContact CZ3-CB 4.36Å; W800-R803 HydrophobicContact CZ3-CG 3.98Å; W800-R803 CarbonylContact O-C 3.55Å; W800-R803 WeakPolarHBondContact O-CB 3.42Å; W800-R803 PolarHBondContact O-N 2.82Å; W800-R803 VanDerWaalsContact O-N 3.08Å; R803-K805 VanDerWaalsContact C-N 3.28Å; R803-K805 PolarHBondContact O-N 3.36Å; R803-E806 WeakPolarHBondContact CD-OE2 3.32Å; R803-E806 IonicContact CZ-OE2 2.74Å; R803-E806 IonicContact NE-OE2 2.84Å; R803-E806 IonicContact NH1-OE2 2.85Å; R803-E806 PolarHBondContact NH1-OE2 2.93Å; R803-E806 PolarHBondContact O-N 3.36Å; R803-L821 HydrophobicContact CG-CD2 4.36Å; R803-L821 HydrophobicContact CG-CG 4.42Å
804	L	93.3	Very high	92.7	Very high	47 Å²	47	51.8 Å²	51.8	25%	0.246	27%	0.266	C	S	.	.	H	α-helix	trans	-69.5	-15.3	171.7	-71.6	179.5	0	0	0	114.3	W800 D802 I807 K812 L818	W800-L804 HydrophobicContact CD2-CG 4.29Å; W800-L804 HydrophobicContact CH2-CD2 4.31Å; W800-L804 HydrophobicContact CZ2-CD2 3.73Å; W800-L804 HydrophobicContact CZ2-CG 4.19Å; W800-L804 WeakPolarHBondContact O-CG 3.43Å; W800-L804 PolarHBondContact O-N 3.01Å; D802-L804 PolarHBondContact O-N 3.09Å; L804-I807 HydrophobicContact CD2-CD1 3.84Å; L804-K812 WeakPolarHBondContact O-CE 3.25Å; L804-K812 PolarHBondContact O-NZ 3.14Å; L804-L818 HydrophobicContact CD2-CD2 3.76Å
805	K	91.5	Very high	92.2	Very high	86 Å²	86	55.1 Å²	55.1	37%	0.374	29%	0.289	S	S	.	.	H	α-helix	trans	-80.2	-36.1	171.9	-60.9	164.3	-158.4	177.8	0	111.4	L615 Y616 Q801 D802 R803 I807	L615-K805 HydrophobicContact CD2-CD 4.28Å; L615-K805 VanDerWaalsContact CD2-CE 3.49Å; Y616-K805 VanDerWaalsContact CE1-NZ 3.29Å; Y616-K805 VanDerWaalsContact CZ-NZ 3.29Å; Y616-K805 PolarHBondContact OH-NZ 2.81Å; Q801-K805 WeakPolarHBondContact O-CE 3.34Å; Q801-K805 WeakPolarHBondContact O-CG 3.21Å; Q801-K805 PolarHBondContact O-N 3.33Å; D802-K805 WeakPolarHBondContact O-CA 3.41Å; D802-K805 VanDerWaalsContact O-CB 3.29Å; D802-K805 WeakPolarHBondContact O-CB 3.07Å; D802-K805 PolarHBondContact O-N 3.47Å; D802-K805 WeakPolarHBondContact OD1-CE 3.5Å; D802-K805 IonicContact OD1-NZ 2.78Å; D802-K805 PolarHBondContact OD1-NZ 3.13Å; R803-K805 VanDerWaalsContact C-N 3.28Å; R803-K805 PolarHBondContact O-N 3.36Å; K805-I807 VanDerWaalsContact C-N 3.31Å; K805-I807 PolarHBondContact O-N 3.01Å
806	E	91.6	Very high	91.8	Very high	96 Å²	96	62.7 Å²	62.7	45%	0.449	32%	0.324	S	S	.	.	H	α-helix	trans	-69.1	-23.3	-176	-62.8	169.5	-177.3	0	0	113.7	D802 R803 R865	D802-E806 PolarHBondContact O-N 3.42Å; R803-E806 WeakPolarHBondContact CD-OE2 3.32Å; R803-E806 IonicContact CZ-OE2 2.74Å; R803-E806 IonicContact NE-OE2 2.84Å; R803-E806 IonicContact NH1-OE2 2.85Å; R803-E806 PolarHBondContact NH1-OE2 2.93Å; R803-E806 PolarHBondContact O-N 3.36Å; E806-R865 IonicContact OE1-CZ 2.89Å; E806-R865 IonicContact OE1-NH2 3.76Å; E806-R865 PolarHBondContact OE1-NH2 3.01Å
807	I	93.7	Very high	91.6	Very high	13 Å²	13	66.8 Å²	66.8	7%	0.067	34%	0.34	C	S	.	.	S	Bend	trans	-93.3	146.4	-175.1	64.7	178.7	0	0	0	114	L804 K805 K812 Y817 L818 L821	L804-I807 HydrophobicContact CD2-CD1 3.84Å; K805-I807 VanDerWaalsContact C-N 3.31Å; K805-I807 PolarHBondContact O-N 3.01Å; I807-K812 HydrophobicContact CD1-CG 3.93Å; I807-K812 HydrophobicContact CG1-CD 4.4Å; I807-K812 HydrophobicContact CG1-CG 3.94Å; I807-K812 WeakPolarHBondContact O-CE 3.33Å; I807-K812 PolarHBondContact O-NZ 3.37Å; I807-Y817 HydrophobicContact CD1-CE1 4.13Å; I807-Y817 HydrophobicContact CG2-CE1 4.4Å; I807-L818 HydrophobicContact CD1-CD2 3.68Å; I807-L821 HydrophobicContact CD1-CD2 3.79Å; I807-L821 HydrophobicContact CG2-CD2 3.69Å
808	P	91.9	Very high	91.5	Very high	85 Å²	85	67 Å²	67	55%	0.552	34%	0.342	S	S	*	.			trans	-57.9	146.8	176.5	-25	34.8	0	0	0	113.7	N810 S811 K812	P808-N810 VanDerWaalsContact C-N 3.28Å; P808-N810 PolarHBondContact O-N 3.31Å; P808-S811 WeakPolarHBondContact O-CB 3.08Å; P808-S811 PolarHBondContact O-N 2.8Å; P808-S811 VanDerWaalsContact O-N 3.08Å; P808-K812 PolarHBondContact O-N 3.12Å
809	G	88.7	Confident	91.3	Very high	49 Å²	49	68.2 Å²	68.2	51%	0.505	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-37.7	-177.2	0	0	0	0	0	114.5	K812	G809-K812 WeakPolarHBondContact O-CB 3.18Å; G809-K812 PolarHBondContact O-N 3.31Å
810	N	87.9	Confident	91.1	Very high	144 Å²	144	75.9 Å²	75.9	77%	0.77	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-65.7	-40.3	178.7	-66.8	3.7	0	0	0	111.8	P808 K812 K813	P808-N810 VanDerWaalsContact C-N 3.28Å; P808-N810 PolarHBondContact O-N 3.31Å; N810-K812 PolarHBondContact O-N 2.68Å; N810-K812 VanDerWaalsContact O-N 3.16Å; N810-K813 PolarHBondContact O-N 2.99Å
811	S	90.8	Very high	91.1	Very high	32 Å²	32	76.1 Å²	76.1	22%	0.224	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-65.2	-15.9	177.6	-50.4	0	0	0	0	113.3	P808 K813 Y817	P808-S811 WeakPolarHBondContact O-CB 3.08Å; P808-S811 PolarHBondContact O-N 2.8Å; P808-S811 VanDerWaalsContact O-N 3.08Å; S811-K813 VanDerWaalsContact C-N 3.27Å; S811-K813 PolarHBondContact O-N 3.32Å; S811-Y817 WeakPolarHBondContact O-CD1 3.5Å
812	K	89.1	Confident	91.2	Very high	92 Å²	92	73.6 Å²	73.6	40%	0.4	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-78	-8.4	173.6	-48	-173.6	-164.9	-170.4	0	113.4	L804 I807 P808 G809 N810 L818	L804-K812 WeakPolarHBondContact O-CE 3.25Å; L804-K812 PolarHBondContact O-NZ 3.14Å; I807-K812 HydrophobicContact CD1-CG 3.93Å; I807-K812 HydrophobicContact CG1-CD 4.4Å; I807-K812 HydrophobicContact CG1-CG 3.94Å; I807-K812 WeakPolarHBondContact O-CE 3.33Å; I807-K812 PolarHBondContact O-NZ 3.37Å; P808-K812 PolarHBondContact O-N 3.12Å; G809-K812 WeakPolarHBondContact O-CB 3.18Å; G809-K812 PolarHBondContact O-N 3.31Å; N810-K812 PolarHBondContact O-N 2.68Å; N810-K812 VanDerWaalsContact O-N 3.16Å; K812-L818 WeakPolarHBondContact O-CD1 3.21Å
813	K	87.7	Confident	91.3	Very high	188 Å²	188	73.3 Å²	73.3	82%	0.817	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-17.2	173.9	-61.6	-172.7	177.4	-174.7	0	113	N810 S811 S815	N810-K813 PolarHBondContact O-N 2.99Å; S811-K813 VanDerWaalsContact C-N 3.27Å; S811-K813 PolarHBondContact O-N 3.32Å; K813-S815 PolarHBondContact O-N 2.93Å
814	D	90.2	Very high	91.3	Very high	80 Å²	80	71.7 Å²	71.7	43%	0.428	37%	0.367	S	S	.	.			trans	-81.7	105.9	176.5	-179.4	-16.1	0	0	0	109.9	E816 Y817 L818	D814-E816 VanDerWaalsContact C-N 3.32Å; D814-E816 PolarHBondContact O-N 3.31Å; D814-E816 PolarHBondContact OD1-N 3.08Å; D814-Y817 PolarHBondContact OD1-N 3.35Å; D814-Y817 VanDerWaalsContact OD2-CB 3.32Å; D814-Y817 WeakPolarHBondContact OD2-CB 3.47Å; D814-L818 WeakPolarHBondContact O-CB 3.45Å; D814-L818 VanDerWaalsContact O-CG 3.32Å; D814-L818 WeakPolarHBondContact O-CG 2.95Å; D814-L818 PolarHBondContact O-N 2.97Å
815	S	85.9	Confident	91.5	Very high	69 Å²	69	69.8 Å²	69.8	48%	0.483	36%	0.357	S	S	.	.	H	α-helix	trans	-66.7	-31.6	-178.7	-173.9	0	0	0	0	113	K813 K819	K813-S815 PolarHBondContact O-N 2.93Å; S815-K819 WeakPolarHBondContact O-CB 3.2Å; S815-K819 VanDerWaalsContact O-CG 3.27Å; S815-K819 WeakPolarHBondContact O-CG 3.39Å; S815-K819 PolarHBondContact O-N 3.43Å
816	E	86.3	Confident	91.7	Very high	159 Å²	159	65.7 Å²	65.7	74%	0.743	34%	0.339	S	S	*	.	H	α-helix	trans	-81.2	-40.7	-177.1	-169.6	167.4	-174.1	0	0	111.1	D814 L818 K819 K820	D814-E816 VanDerWaalsContact C-N 3.32Å; D814-E816 PolarHBondContact O-N 3.31Å; D814-E816 PolarHBondContact OD1-N 3.08Å; E816-L818 VanDerWaalsContact C-N 3.35Å; E816-L818 PolarHBondContact O-N 3.42Å; E816-K819 PolarHBondContact O-N 3.26Å; E816-K820 WeakPolarHBondContact O-CB 3.32Å; E816-K820 PolarHBondContact O-N 2.97Å
817	Y	93	Very high	91.8	Very high	86 Å²	86	64.6 Å²	64.6	34%	0.337	33%	0.331	S	S	.	.	H	α-helix	trans	-56	-48.3	166.3	174.7	-94	0	0	0	111.5	I807 S811 D814 K819 K820 L821	I807-Y817 HydrophobicContact CD1-CE1 4.13Å; I807-Y817 HydrophobicContact CG2-CE1 4.4Å; S811-Y817 WeakPolarHBondContact O-CD1 3.5Å; D814-Y817 PolarHBondContact OD1-N 3.35Å; D814-Y817 VanDerWaalsContact OD2-CB 3.32Å; D814-Y817 WeakPolarHBondContact OD2-CB 3.47Å; Y817-K819 PolarHBondContact O-N 3.33Å; Y817-K820 PolarHBondContact O-N 2.85Å; Y817-L821 HydrophobicContact CE1-CB 4.48Å; Y817-L821 HydrophobicContact CE1-CD2 3.86Å; Y817-L821 VanDerWaalsContact O-CB 3.28Å; Y817-L821 WeakPolarHBondContact O-CB 3.42Å; Y817-L821 PolarHBondContact O-N 2.99Å
818	L	93.2	Very high	91.8	Very high	19 Å²	19	69.9 Å²	69.9	10%	0.099	35%	0.35	C	S	.	.	H	α-helix	trans	-63	-41.3	178.9	-77.8	-178.4	0	0	0	112.7	W800 L804 I807 K812 D814 E816 L821 Y822	W800-L818 HydrophobicContact CH2-CD2 4.48Å; W800-L818 HydrophobicContact CZ2-CD2 4.29Å; L804-L818 HydrophobicContact CD2-CD2 3.76Å; I807-L818 HydrophobicContact CD1-CD2 3.68Å; K812-L818 WeakPolarHBondContact O-CD1 3.21Å; D814-L818 WeakPolarHBondContact O-CB 3.45Å; D814-L818 VanDerWaalsContact O-CG 3.32Å; D814-L818 WeakPolarHBondContact O-CG 2.95Å; D814-L818 PolarHBondContact O-N 2.97Å; E816-L818 VanDerWaalsContact C-N 3.35Å; E816-L818 PolarHBondContact O-N 3.42Å; L818-L821 PolarHBondContact O-N 2.9Å; L818-Y822 VanDerWaalsContact O-CB 3.26Å; L818-Y822 WeakPolarHBondContact O-CB 3.37Å; L818-Y822 PolarHBondContact O-N 3.39Å
819	K	90.5	Very high	91.9	Very high	27 Å²	27	66 Å²	66	12%	0.117	33%	0.325	C	S	.	.	H	α-helix	trans	-59.6	-47.3	173.4	-79	175.8	-177	-171.6	0	111.6	Y750 D753 F754 S815 E816 Y817 L821 Y822 S823	Y750-K819 HydrophobicContact CD1-CG 4.04Å; Y750-K819 HydrophobicContact CE1-CG 3.84Å; D753-K819 WeakPolarHBondContact OD2-CE 3.37Å; D753-K819 IonicContact OD2-NZ 2.71Å; D753-K819 PolarHBondContact OD2-NZ 2.96Å; F754-K819 HydrophobicContact CE1-CB 3.93Å; F754-K819 HydrophobicContact CE1-CG 4.25Å; F754-K819 HydrophobicContact CZ-CB 4.01Å; F754-K819 HydrophobicContact CZ-CG 4.21Å; F754-K819 WeakPolarHBondContact CZ-O 3.33Å; S815-K819 WeakPolarHBondContact O-CB 3.2Å; S815-K819 VanDerWaalsContact O-CG 3.27Å; S815-K819 WeakPolarHBondContact O-CG 3.39Å; S815-K819 PolarHBondContact O-N 3.43Å; E816-K819 PolarHBondContact O-N 3.26Å; Y817-K819 PolarHBondContact O-N 3.33Å; K819-L821 PolarHBondContact O-N 3.4Å; K819-Y822 PolarHBondContact O-N 3.17Å; K819-S823 WeakPolarHBondContact O-CB 3.37Å; K819-S823 PolarHBondContact O-N 2.84Å
820	K	92.1	Very high	92.2	Very high	162 Å²	162	63.7 Å²	63.7	70%	0.704	30%	0.301	S	S	*	.	H	α-helix	trans	-64.7	-38.4	178.4	-171.1	172.3	-177.1	173.7	0	112.5	E816 Y817 S823 D824	E816-K820 WeakPolarHBondContact O-CB 3.32Å; E816-K820 PolarHBondContact O-N 2.97Å; Y817-K820 PolarHBondContact O-N 2.85Å; K820-S823 WeakPolarHBondContact O-CB 3.44Å; K820-D824 PolarHBondContact O-N 3.33Å
821	L	95.4	Very high	92.5	Very high	14 Å²	14	59.5 Å²	59.5	7%	0.073	28%	0.275	C	S	.	.	H	α-helix	trans	-69.8	-39.2	176.9	-174.3	70.9	0	0	0	112.3	W800 R803 I807 Y817 L818 K819 D824 H825	W800-L821 HydrophobicContact CH2-CB 4.06Å; W800-L821 HydrophobicContact CH2-CD2 3.91Å; W800-L821 HydrophobicContact CH2-CG 3.92Å; W800-L821 HydrophobicContact CZ3-CB 4.41Å; W800-L821 HydrophobicContact CZ3-CD2 4.14Å; W800-L821 HydrophobicContact CZ3-CG 3.92Å; R803-L821 HydrophobicContact CG-CD2 4.36Å; R803-L821 HydrophobicContact CG-CG 4.42Å; I807-L821 HydrophobicContact CD1-CD2 3.79Å; I807-L821 HydrophobicContact CG2-CD2 3.69Å; Y817-L821 HydrophobicContact CE1-CB 4.48Å; Y817-L821 HydrophobicContact CE1-CD2 3.86Å; Y817-L821 VanDerWaalsContact O-CB 3.28Å; Y817-L821 WeakPolarHBondContact O-CB 3.42Å; Y817-L821 PolarHBondContact O-N 2.99Å; L818-L821 PolarHBondContact O-N 2.9Å; K819-L821 PolarHBondContact O-N 3.4Å; L821-D824 PolarHBondContact O-N 3.45Å; L821-H825 VanDerWaalsContact O-CB 3.27Å; L821-H825 WeakPolarHBondContact O-CB 3.4Å; L821-H825 PolarHBondContact O-N 3.35Å
822	Y	96.1	Very high	92.5	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-45.5	174.3	176.5	-89.2	0	0	0	111.4	F747 Y750 F754 E779 L796 W800 L818 K819 D824 H825 F826	F747-Y822 AromaticContact CD1-CE2 3.79Å; F747-Y822 HydrophobicContact CD1-CE2 3.79Å; F747-Y822 HydrophobicContact CE1-CE2 4.21Å; Y750-Y822 HydrophobicContact CD2-CD2 4.05Å; Y750-Y822 HydrophobicContact CD2-CE2 4.14Å; Y750-Y822 HydrophobicContact CD2-CG 4.36Å; Y750-Y822 HydrophobicContact CE2-CD2 4.27Å; Y750-Y822 HydrophobicContact CG-CD1 4.47Å; Y750-Y822 HydrophobicContact CG-CG 4.42Å; F754-Y822 AromaticContact CE2-CD1 3.45Å; F754-Y822 HydrophobicContact CE2-CD1 3.45Å; F754-Y822 VanDerWaalsContact CE2-CD1 3.45Å; F754-Y822 AromaticContact CE2-CE1 3.73Å; F754-Y822 HydrophobicContact CE2-CE1 3.73Å; F754-Y822 AromaticContact CZ-CD1 3.83Å; F754-Y822 HydrophobicContact CZ-CD1 3.83Å; E779-Y822 HydrophobicContact CB-CE1 4.44Å; L796-Y822 HydrophobicContact CD1-CE2 3.87Å; L796-Y822 WeakPolarHBondContact CD2-OH 3.38Å; W800-Y822 AromaticContact CD2-CD2 3.97Å; W800-Y822 HydrophobicContact CD2-CD2 3.97Å; W800-Y822 AromaticContact CE2-CD2 3.92Å; W800-Y822 HydrophobicContact CE3-CD2 4.26Å; W800-Y822 HydrophobicContact CG-CD2 4.39Å; W800-Y822 HydrophobicContact CH2-CD2 4.48Å; W800-Y822 HydrophobicContact CZ2-CD2 4.19Å; W800-Y822 VanDerWaalsContact CZ3-CA 3.47Å; L818-Y822 VanDerWaalsContact O-CB 3.26Å; L818-Y822 WeakPolarHBondContact O-CB 3.37Å; L818-Y822 PolarHBondContact O-N 3.39Å; K819-Y822 PolarHBondContact O-N 3.17Å; Y822-D824 PolarHBondContact O-N 2.83Å; Y822-H825 PolarHBondContact O-N 2.62Å; Y822-F826 WeakPolarHBondContact O-CB 3.44Å; Y822-F826 PolarHBondContact O-N 3.44Å
823	S	94.5	Very high	92.7	Very high	14 Å²	14	53.8 Å²	53.8	10%	0.098	25%	0.247	C	C	.	.	H	α-helix	trans	-56.8	-45.5	175.4	176.2	0	0	0	0	111.9	E779 K819 K820 R827	E779-S823 VanDerWaalsContact OE1-CB 3.29Å; E779-S823 WeakPolarHBondContact OE1-CB 3.37Å; E779-S823 PolarHBondContact OE1-OG 2.76Å; K819-S823 WeakPolarHBondContact O-CB 3.37Å; K819-S823 PolarHBondContact O-N 2.84Å; K820-S823 WeakPolarHBondContact O-CB 3.44Å; S823-R827 VanDerWaalsContact O-CZ 3.29Å; S823-R827 PolarHBondContact O-N 3.44Å; S823-R827 PolarHBondContact O-NH2 2.97Å; S823-R827 VanDerWaalsContact OG-CZ 3.29Å; S823-R827 PolarHBondContact OG-NH1 2.93Å; S823-R827 PolarHBondContact OG-NH2 3.24Å
824	D	95.1	Very high	92.8	Very high	42 Å²	42	46 Å²	46	23%	0.225	21%	0.214	C	C	.	.	H	α-helix	trans	-65.8	-43.4	172.2	-178.4	67.3	0	0	0	112.7	K820 L821 Y822 R827 R828	K820-D824 PolarHBondContact O-N 3.33Å; L821-D824 PolarHBondContact O-N 3.45Å; Y822-D824 PolarHBondContact O-N 2.83Å; D824-R827 PolarHBondContact O-N 3.04Å; D824-R828 WeakPolarHBondContact O-CB 3.37Å; D824-R828 WeakPolarHBondContact O-CG 3.32Å; D824-R828 PolarHBondContact O-N 2.91Å; D824-R828 IonicContact OD1-CZ 2.82Å; D824-R828 VanDerWaalsContact OD1-CZ 3.26Å; D824-R828 IonicContact OD1-NE 3.11Å; D824-R828 PolarHBondContact OD1-NE 3.13Å; D824-R828 IonicContact OD1-NH2 2.65Å; D824-R828 PolarHBondContact OD1-NH2 3.13Å; D824-R828 IonicContact OD2-CZ 3.58Å; D824-R828 IonicContact OD2-NE 2.67Å; D824-R828 PolarHBondContact OD2-NE 3.37Å; D824-R828 IonicContact OD2-NH2 3.65Å; D824-R828 PolarHBondContact OD2-NH2 3.02Å
825	H	96	Very high	92.7	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.032	20%	0.201	C	C	.	.	H	α-helix	trans	-63.3	-44.1	179.6	-176.4	89.1	0	0	0	112.8	S799 W800 L821 Y822 R828 V829	S799-H825 PolarHBondContact O-CE1 3.42Å; S799-H825 PolarHBondContact OG-NE2 3.38Å; W800-H825 HydrophobicContact CE3-CB 3.88Å; W800-H825 AromaticContact CE3-CD2 3.98Å; W800-H825 AromaticContact CE3-CG 3.76Å; W800-H825 HydrophobicContact CZ3-CB 3.9Å; W800-H825 PolarHBondContact N-NE2 2.87Å; L821-H825 VanDerWaalsContact O-CB 3.27Å; L821-H825 WeakPolarHBondContact O-CB 3.4Å; L821-H825 PolarHBondContact O-N 3.35Å; Y822-H825 PolarHBondContact O-N 2.62Å; H825-R828 PolarHBondContact O-N 2.93Å; H825-V829 WeakPolarHBondContact O-CB 3.38Å; H825-V829 PolarHBondContact O-N 2.83Å
826	F	96.3	Very high	93	Very high	0 Å²	0	41 Å²	41	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-62.6	-46.9	177.9	-170.8	-77.8	0	0	0	111.1	E779 L782 F783 V786 L796 Y822 R828 I830 Y831	E779-F826 HydrophobicContact CB-CB 3.88Å; E779-F826 HydrophobicContact CB-CD1 3.58Å; E779-F826 HydrophobicContact CB-CD2 4.1Å; E779-F826 HydrophobicContact CB-CE1 4.1Å; E779-F826 HydrophobicContact CB-CG 3.58Å; L782-F826 HydrophobicContact CB-CE1 4.48Å; L782-F826 HydrophobicContact CB-CZ 4.42Å; F783-F826 HydrophobicContact CB-CE2 4.4Å; F783-F826 HydrophobicContact CB-CZ 4.5Å; F783-F826 HydrophobicContact CD2-CE2 4.24Å; V786-F826 HydrophobicContact CG1-CE2 4.45Å; V786-F826 HydrophobicContact CG2-CE2 4.17Å; V786-F826 HydrophobicContact CG2-CZ 3.86Å; L796-F826 HydrophobicContact CD1-CD2 4.14Å; L796-F826 HydrophobicContact CD2-CD2 4.38Å; L796-F826 HydrophobicContact CD2-CE2 4.35Å; Y822-F826 WeakPolarHBondContact O-CB 3.44Å; Y822-F826 PolarHBondContact O-N 3.44Å; F826-R828 VanDerWaalsContact C-N 3.33Å; F826-R828 PolarHBondContact O-N 3.09Å; F826-I830 HydrophobicContact CD1-CB 4.49Å; F826-I830 HydrophobicContact CD2-CB 4.16Å; F826-I830 HydrophobicContact CD2-CG1 4.36Å; F826-I830 HydrophobicContact CD2-CG2 4.37Å; F826-I830 HydrophobicContact CE2-CB 4.25Å; F826-I830 HydrophobicContact CE2-CG2 3.96Å; F826-I830 HydrophobicContact CG-CB 4.28Å; F826-I830 HydrophobicContact CZ-CB 4.46Å; F826-I830 HydrophobicContact CZ-CG2 4.05Å; F826-I830 PolarHBondContact O-N 3.15Å; F826-Y831 PolarHBondContact O-N 2.66Å
827	R	93.2	Very high	93	Very high	74 Å²	74	38.7 Å²	38.7	28%	0.279	17%	0.168	S	C	.	.	I	π-helix	trans	-64.4	-32.2	176.3	-78.5	-169.8	-66.8	-83.3	-5.9	113.7	Q777 P778 E779 S823 D824	Q777-R827 VanDerWaalsContact OE1-NH1 3.14Å; P778-R827 HydrophobicContact CG-CG 4.23Å; E779-R827 IonicContact OE1-CZ 3Å; E779-R827 IonicContact OE1-NH1 3.88Å; E779-R827 PolarHBondContact OE1-NH1 2.51Å; E779-R827 IonicContact OE2-CZ 3.08Å; E779-R827 IonicContact OE2-NH1 3.88Å; E779-R827 PolarHBondContact OE2-NH1 2.95Å; S823-R827 VanDerWaalsContact O-CZ 3.29Å; S823-R827 PolarHBondContact O-N 3.44Å; S823-R827 PolarHBondContact O-NH2 2.97Å; S823-R827 VanDerWaalsContact OG-CZ 3.29Å; S823-R827 PolarHBondContact OG-NH1 2.93Å; S823-R827 PolarHBondContact OG-NH2 3.24Å; D824-R827 PolarHBondContact O-N 3.04Å
828	R	93.3	Very high	92.5	Very high	123 Å²	123	39.5 Å²	39.5	46%	0.464	18%	0.178	S	C	.	.	I	π-helix	trans	-80	-43.2	177	-71.8	-178.6	-159.7	-128.8	2.3	113.4	D824 H825 F826 P832 I864 F868	D824-R828 WeakPolarHBondContact O-CB 3.37Å; D824-R828 WeakPolarHBondContact O-CG 3.32Å; D824-R828 PolarHBondContact O-N 2.91Å; D824-R828 IonicContact OD1-CZ 2.82Å; D824-R828 VanDerWaalsContact OD1-CZ 3.26Å; D824-R828 IonicContact OD1-NE 3.11Å; D824-R828 PolarHBondContact OD1-NE 3.13Å; D824-R828 IonicContact OD1-NH2 2.65Å; D824-R828 PolarHBondContact OD1-NH2 3.13Å; D824-R828 IonicContact OD2-CZ 3.58Å; D824-R828 IonicContact OD2-NE 2.67Å; D824-R828 PolarHBondContact OD2-NE 3.37Å; D824-R828 IonicContact OD2-NH2 3.65Å; D824-R828 PolarHBondContact OD2-NH2 3.02Å; H825-R828 PolarHBondContact O-N 2.93Å; F826-R828 VanDerWaalsContact C-N 3.33Å; F826-R828 PolarHBondContact O-N 3.09Å; R828-P832 WeakPolarHBondContact O-CD 3.34Å; R828-P832 WeakPolarHBondContact O-CG 3.39Å; R828-I864 WeakPolarHBondContact O-CG2 3.46Å; R828-F868 HydrophobicContact CB-CD2 4.17Å; R828-F868 HydrophobicContact CB-CE2 4.47Å; R828-F868 HydrophobicContact CG-CD2 4.36Å; R828-F868 VanDerWaalsContact O-CD2 3.31Å; R828-F868 WeakPolarHBondContact O-CD2 3.49Å; R828-F868 WeakPolarHBondContact O-CE2 3.27Å
829	V	95.1	Very high	92	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.024	18%	0.177	C	C	.	.	I	π-helix	trans	-102.1	-47.4	-167.8	-173.8	0	0	0	0	112.7	H825 L833 I861 I864 R865	H825-V829 WeakPolarHBondContact O-CB 3.38Å; H825-V829 PolarHBondContact O-N 2.83Å; V829-L833 WeakPolarHBondContact O-CD1 3.48Å; V829-L833 VanDerWaalsContact O-CG 3.28Å; V829-L833 WeakPolarHBondContact O-CG 3.36Å; V829-I861 HydrophobicContact CG1-CB 4.5Å; V829-I861 HydrophobicContact CG1-CG1 4.09Å; V829-I861 HydrophobicContact CG1-CG2 4.12Å; V829-I864 HydrophobicContact CG2-CG2 4.43Å; V829-R865 HydrophobicContact CG2-CG 4.19Å
830	I	95.3	Very high	91.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.208	C	C	.	.	I	π-helix	trans	-89.8	-36.7	-170.1	-54.2	-55.1	0	0	0	112	V786 C795 L796 F826 L833 L834	V786-I830 HydrophobicContact CG1-CG2 4.3Å; V786-I830 HydrophobicContact CG2-CG2 3.73Å; C795-I830 HydrophobicContact CB-CD1 4.13Å; L796-I830 HydrophobicContact CB-CD1 3.95Å; L796-I830 HydrophobicContact CB-CG1 4.04Å; L796-I830 HydrophobicContact CD1-CG1 3.98Å; F826-I830 HydrophobicContact CD1-CB 4.49Å; F826-I830 HydrophobicContact CD2-CB 4.16Å; F826-I830 HydrophobicContact CD2-CG1 4.36Å; F826-I830 HydrophobicContact CD2-CG2 4.37Å; F826-I830 HydrophobicContact CE2-CB 4.25Å; F826-I830 HydrophobicContact CE2-CG2 3.96Å; F826-I830 HydrophobicContact CG-CB 4.28Å; F826-I830 HydrophobicContact CZ-CB 4.46Å; F826-I830 HydrophobicContact CZ-CG2 4.05Å; F826-I830 PolarHBondContact O-N 3.15Å; I830-L833 HydrophobicContact CD1-CD1 4.44Å; I830-L833 PolarHBondContact O-N 2.61Å; I830-L834 PolarHBondContact O-N 3.22Å; I830-L834 VanDerWaalsContact O-N 3.13Å
831	Y	93	Very high	91.5	Very high	56 Å²	56	39.8 Å²	39.8	22%	0.22	18%	0.182	C	C	.	.	H	α-helix	trans	-58.2	-51.2	177	-179.7	-89.5	0	0	0	112.6	P778 L782 F826 L833 L834 W835 E886	P778-Y831 HydrophobicContact CB-CD2 3.65Å; P778-Y831 HydrophobicContact CB-CE2 4.04Å; P778-Y831 HydrophobicContact CG-CD2 4.05Å; P778-Y831 HydrophobicContact CG-CE2 4.09Å; L782-Y831 HydrophobicContact CD1-CD2 3.77Å; L782-Y831 HydrophobicContact CD1-CE2 4Å; F826-Y831 PolarHBondContact O-N 2.66Å; Y831-L833 VanDerWaalsContact C-N 3.33Å; Y831-L833 PolarHBondContact O-N 3.11Å; Y831-L834 PolarHBondContact O-N 3.14Å; Y831-W835 AromaticContact CD1-CD1 3.98Å; Y831-W835 AromaticContact CD2-NE1 3.68Å; Y831-W835 AromaticContact CE1-CD1 3.73Å; Y831-W835 AromaticContact CE2-CD1 3.86Å; Y831-W835 AromaticContact CE2-NE1 3.35Å; Y831-W835 VanDerWaalsContact CE2-NE1 3.35Å; Y831-W835 AromaticContact CZ-CD1 3.67Å; Y831-W835 AromaticContact CZ-NE1 3.57Å; Y831-W835 PolarHBondContact O-N 3.07Å; Y831-E886 HydrophobicContact CE2-CB 4.14Å; Y831-E886 HydrophobicContact CE2-CG 4.05Å
832	P	92.1	Very high	91.1	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.032	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-35.8	-179.8	-22.2	35.3	0	0	0	113.3	R828 L834 W835 L836 F868 F871 I872 F879	R828-P832 WeakPolarHBondContact O-CD 3.34Å; R828-P832 WeakPolarHBondContact O-CG 3.39Å; P832-L834 VanDerWaalsContact C-N 3.35Å; P832-L834 PolarHBondContact O-N 3.12Å; P832-W835 PolarHBondContact O-N 3.34Å; P832-L836 PolarHBondContact O-N 3.02Å; P832-F868 HydrophobicContact CG-CD2 4.37Å; P832-F868 HydrophobicContact CG-CE2 3.72Å; P832-F871 HydrophobicContact CB-CE1 4.27Å; P832-I872 HydrophobicContact CB-CG2 4.38Å; P832-I872 HydrophobicContact CG-CG2 4.4Å; P832-F879 HydrophobicContact CB-CE1 4.38Å
833	L	92.7	Very high	90.5	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-45	176.8	-70.7	174.1	0	0	0	111.4	L792 C795 V829 I830 Y831 W835 L836 F841 V857 L860 I861 I864	L792-L833 HydrophobicContact CD2-CB 4.39Å; C795-L833 HydrophobicContact CB-CD1 4.45Å; V829-L833 WeakPolarHBondContact O-CD1 3.48Å; V829-L833 VanDerWaalsContact O-CG 3.28Å; V829-L833 WeakPolarHBondContact O-CG 3.36Å; I830-L833 HydrophobicContact CD1-CD1 4.44Å; I830-L833 PolarHBondContact O-N 2.61Å; Y831-L833 VanDerWaalsContact C-N 3.33Å; Y831-L833 PolarHBondContact O-N 3.11Å; L833-W835 PolarHBondContact O-N 3Å; L833-L836 HydrophobicContact CD2-CD1 3.87Å; L833-L836 WeakPolarHBondContact O-CB 3.31Å; L833-L836 PolarHBondContact O-N 3.3Å; L833-L836 VanDerWaalsContact O-N 3.15Å; L833-F841 HydrophobicContact CB-CZ 4.43Å; L833-F841 WeakPolarHBondContact O-CE2 3.28Å; L833-V857 HydrophobicContact CD1-CG1 3.99Å; L833-V857 HydrophobicContact CD2-CG1 4.03Å; L833-L860 HydrophobicContact CD2-CB 3.83Å; L833-L860 HydrophobicContact CD2-CD1 4.25Å; L833-I861 HydrophobicContact CD1-CG1 3.9Å; L833-I864 HydrophobicContact CD2-CD1 3.76Å; L833-I864 HydrophobicContact CG-CD1 3.87Å
834	L	90.3	Very high	89.8	Confident	23 Å²	23	47 Å²	47	12%	0.12	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-29.5	-178.9	-162.5	149	0	0	0	112.6	L782 V786 L792 I830 Y831 P832	L782-L834 HydrophobicContact CB-CD1 4.27Å; L782-L834 HydrophobicContact CD1-CD1 4.46Å; L782-L834 HydrophobicContact CD1-CD2 4.46Å; V786-L834 HydrophobicContact CG2-CD1 3.75Å; L792-L834 HydrophobicContact CD1-CD1 4.06Å; L792-L834 HydrophobicContact CD1-CG 4.23Å; I830-L834 PolarHBondContact O-N 3.22Å; I830-L834 VanDerWaalsContact O-N 3.13Å; Y831-L834 PolarHBondContact O-N 3.14Å; P832-L834 VanDerWaalsContact C-N 3.35Å; P832-L834 PolarHBondContact O-N 3.12Å
835	W	88	Confident	89.3	Confident	42 Å²	42	45.3 Å²	45.3	16%	0.159	22%	0.22	C	C	.	.	H	α-helix	trans	-93.4	-5.3	179	-60.6	107.8	0	0	0	115	L782 Y831 P832 L833 Q837 F879 K880 E886	L782-W835 HydrophobicContact CD1-CZ2 4.2Å; L782-W835 HydrophobicContact CD2-CZ2 4.27Å; Y831-W835 AromaticContact CD1-CD1 3.98Å; Y831-W835 AromaticContact CD2-NE1 3.68Å; Y831-W835 AromaticContact CE1-CD1 3.73Å; Y831-W835 AromaticContact CE2-CD1 3.86Å; Y831-W835 AromaticContact CE2-NE1 3.35Å; Y831-W835 VanDerWaalsContact CE2-NE1 3.35Å; Y831-W835 AromaticContact CZ-CD1 3.67Å; Y831-W835 AromaticContact CZ-NE1 3.57Å; Y831-W835 PolarHBondContact O-N 3.07Å; P832-W835 PolarHBondContact O-N 3.34Å; L833-W835 PolarHBondContact O-N 3Å; W835-Q837 PolarHBondContact O-N 3.34Å; W835-F879 HydrophobicContact CB-CD1 4.27Å; W835-F879 CarbonylContact O-C 3.57Å; W835-F879 WeakPolarHBondContact O-CA 3.3Å; W835-K880 HydrophobicContact CE3-CB 3.9Å; W835-K880 PolarHBondContact O-N 3.4Å; W835-E886 HydrophobicContact CH2-CG 3.87Å; W835-E886 HydrophobicContact CZ2-CG 3.17Å
836	L	90.7	Very high	88.7	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.016	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-58.3	132.9	172.1	-73.4	172.7	0	0	0	110.4	P832 L833 I839 L860 F871 Y877 F879 K880	P832-L836 PolarHBondContact O-N 3.02Å; L833-L836 HydrophobicContact CD2-CD1 3.87Å; L833-L836 WeakPolarHBondContact O-CB 3.31Å; L833-L836 PolarHBondContact O-N 3.3Å; L833-L836 VanDerWaalsContact O-N 3.15Å; L836-I839 HydrophobicContact CD1-CD1 4.48Å; L836-L860 HydrophobicContact CD1-CD1 3.76Å; L836-F871 HydrophobicContact CD1-CZ 4.4Å; L836-F871 HydrophobicContact CD2-CE1 4.48Å; L836-F871 HydrophobicContact CD2-CZ 4.24Å; L836-Y877 HydrophobicContact CD2-CD1 4.23Å; L836-Y877 HydrophobicContact CD2-CG 4.2Å; L836-F879 HydrophobicContact CD2-CD1 4.12Å; L836-F879 HydrophobicContact CD2-CE1 3.58Å; L836-F879 HydrophobicContact CD2-CZ 3.95Å; L836-F879 HydrophobicContact CG-CE1 4.18Å; L836-K880 WeakPolarHBondContact O-CE 3.47Å; L836-K880 PolarHBondContact O-NZ 3.36Å
837	Q	86.5	Confident	88.1	Confident	110 Å²	110	46.9 Å²	46.9	51%	0.514	23%	0.23	S	C	.	.	S	Bend	trans	-83.6	-31.6	178.1	-171.9	165.8	-22.2	0	0	112	W835 I839 T878 K880	W835-Q837 PolarHBondContact O-N 3.34Å; Q837-I839 PolarHBondContact O-N 2.97Å; Q837-T878 HydrophobicContact CB-CG2 4.16Å; Q837-T878 WeakPolarHBondContact CB-O 3.48Å; Q837-T878 PolarHBondContact N-O 2.72Å; Q837-K880 HydrophobicContact CB-CG 4.17Å; Q837-K880 HydrophobicContact CG-CG 4.4Å
838	D	82.8	Confident	87.8	Confident	104 Å²	104	49.2 Å²	49.2	56%	0.556	24%	0.244	S	C	*	.	S	Bend	trans	-79.7	0.3	-173.5	-47	-66.3	0	0	0	114.1	T878	D838-T878 PolarHBondContact OD2-N 2.7Å
839	I	83.8	Confident	87.5	Confident	17 Å²	17	48.3 Å²	48.3	9%	0.087	25%	0.245	C	C	.	.	S	Bend	trans	-132	133.8	177.2	-60	-173.1	0	0	0	110.2	L836 Q837 F841 V857 L860	L836-I839 HydrophobicContact CD1-CD1 4.48Å; Q837-I839 PolarHBondContact O-N 2.97Å; I839-F841 HydrophobicContact CB-CE2 3.96Å; I839-F841 HydrophobicContact CB-CZ 4.14Å; I839-F841 HydrophobicContact CG2-CD1 4.46Å; I839-F841 HydrophobicContact CG2-CD2 4.22Å; I839-F841 HydrophobicContact CG2-CE1 3.92Å; I839-F841 HydrophobicContact CG2-CE2 3.61Å; I839-F841 HydrophobicContact CG2-CZ 3.46Å; I839-F841 VanDerWaalsContact CG2-CZ 3.46Å; I839-V857 HydrophobicContact CD1-CG2 4.13Å; I839-L860 HydrophobicContact CD1-CD1 3.35Å
840	E	83.7	Confident	87.4	Confident	161 Å²	161	48.1 Å²	48.1	75%	0.752	24%	0.244	S	C	*	.			trans	-93.6	138.4	172.8	-62.6	-169	161.7	0	0	111	P842	E840-P842 WeakPolarHBondContact O-CD 3.34Å
841	F	87.5	Confident	87.2	Confident	36 Å²	36	52.4 Å²	52.4	16%	0.158	26%	0.264	C	S	.	.			trans	-121.8	65.6	179.3	-68.5	-73.1	0	0	0	109.9	C789 L791 L792 L833 I839 V857	C789-F841 VanDerWaalsContact SG-C 3.58Å; L791-F841 HydrophobicContact CB-CD1 4.26Å; L791-F841 HydrophobicContact CD2-CD1 4.1Å; L791-F841 HydrophobicContact CD2-CE1 3.92Å; L791-F841 HydrophobicContact CG-CD1 4.3Å; L791-F841 HydrophobicContact CG-CE1 4.1Å; L792-F841 HydrophobicContact CD1-CB 3.85Å; L792-F841 HydrophobicContact CD1-CD1 4.15Å; L792-F841 HydrophobicContact CD1-CG 3.94Å; L792-F841 HydrophobicContact CD2-CD1 3.56Å; L792-F841 HydrophobicContact CD2-CD2 4.28Å; L792-F841 HydrophobicContact CD2-CE1 3.54Å; L792-F841 HydrophobicContact CD2-CE2 4.29Å; L792-F841 HydrophobicContact CD2-CG 3.93Å; L792-F841 HydrophobicContact CD2-CZ 3.92Å; L792-F841 HydrophobicContact CG-CB 4.12Å; L792-F841 HydrophobicContact CG-CD1 3.5Å; L792-F841 HydrophobicContact CG-CE1 4.01Å; L792-F841 HydrophobicContact CG-CG 3.82Å; L833-F841 HydrophobicContact CB-CZ 4.43Å; L833-F841 WeakPolarHBondContact O-CE2 3.28Å; I839-F841 HydrophobicContact CB-CE2 3.96Å; I839-F841 HydrophobicContact CB-CZ 4.14Å; I839-F841 HydrophobicContact CG2-CD1 4.46Å; I839-F841 HydrophobicContact CG2-CD2 4.22Å; I839-F841 HydrophobicContact CG2-CE1 3.92Å; I839-F841 HydrophobicContact CG2-CE2 3.61Å; I839-F841 HydrophobicContact CG2-CZ 3.46Å; I839-F841 VanDerWaalsContact CG2-CZ 3.46Å; F841-V857 HydrophobicContact CE1-CG2 4.43Å
842	P	86.4	Confident	87.1	Confident	52 Å²	52	54.3 Å²	54.3	34%	0.338	28%	0.278	S	S	.	.			trans	-66.5	153.4	179.8	30.7	-37.2	0	0	0	111.4	C789 E840 V844 M845	C789-P842 PolarHBondContact SG-O 3.24Å; E840-P842 WeakPolarHBondContact O-CD 3.34Å; P842-V844 WeakPolarHBondContact CB-O 3.47Å; P842-M845 HydrophobicContact CG-CE 3.65Å
843	S	83.5	Confident	87.1	Confident	72 Å²	72	56.4 Å²	56.4	50%	0.503	29%	0.287	S	S	.	.	S	Bend	trans	-76.2	-26.7	176.1	52.4	0	0	0	0	113.3	Y589 D788 P790	Y589-S843 VanDerWaalsContact CE1-O 3.28Å; Y589-S843 WeakPolarHBondContact CE1-O 3.16Å; D788-S843 WeakPolarHBondContact O-CA 3.45Å; D788-S843 VanDerWaalsContact O-CB 3.31Å; D788-S843 WeakPolarHBondContact O-CB 3.44Å; P790-S843 WeakPolarHBondContact CD-O 3.29Å
844	V	81.1	Confident	87.2	Confident	55 Å²	55	56.9 Å²	56.9	33%	0.333	29%	0.29	S	S	.	.	S	Bend	trans	-115.3	127.4	170.5	-175.5	0	0	0	0	108.9	Y589 P842	Y589-V844 HydrophobicContact CE1-CG2 4.49Å; Y589-V844 HydrophobicContact CE2-CG1 4.23Å; P842-V844 WeakPolarHBondContact CB-O 3.47Å
845	M	84.8	Confident	87.4	Confident	7 Å²	7	59.7 Å²	59.7	3%	0.034	31%	0.31	C	S	.	.			trans	-142.1	142.1	-176	-169.2	177.5	-71.1	0	0	109.1	Y589 H607 L791 P842 Q849 F850	Y589-M845 PolarHBondContact OH-N 3.18Å; Y589-M845 PolarHBondContact OH-O 3.46Å; H607-M845 PolarHBondContact CE1-O 3.16Å; L791-M845 HydrophobicContact CB-CE 4.02Å; L791-M845 HydrophobicContact CB-SD 4.32Å; L791-M845 HydrophobicContact CD2-CE 4.05Å; L791-M845 HydrophobicContact CD2-SD 4.47Å; P842-M845 HydrophobicContact CG-CE 3.65Å; M845-Q849 HydrophobicContact CG-CB 3.71Å; M845-F850 HydrophobicContact CG-CB 4.12Å; M845-F850 VanDerWaalsContact SD-CA 3.52Å; M845-F850 HydrophobicContact SD-CB 3.67Å; M845-F850 HydrophobicContact SD-CD2 3.83Å; M845-F850 HydrophobicContact SD-CG 4.22Å
846	S	82	Confident	87.6	Confident	12 Å²	12	62.7 Å²	62.7	8%	0.084	32%	0.324	C	S	.	.			trans	-79.7	157.2	172.7	85.5	0	0	0	0	111.9	Q848 Q849 F850	S846-Q848 PolarHBondContact O-N 2.89Å; S846-Q848 PolarHBondContact OG-N 3.36Å; S846-Q849 PolarHBondContact O-N 2.99Å; S846-Q849 WeakPolarHBondContact OG-CG 3.28Å; S846-Q849 PolarHBondContact OG-N 3.27Å; S846-Q849 VanDerWaalsContact OG-N 3.07Å; S846-F850 WeakPolarHBondContact O-CB 3.17Å; S846-F850 PolarHBondContact O-N 2.8Å
847	L	85.2	Confident	87.7	Confident	28 Å²	28	62.6 Å²	62.6	15%	0.147	32%	0.324	C	S	.	.	H	α-helix	trans	-57.4	-38.3	178.1	-160.7	84.9	0	0	0	111.3	N570 P591 T593 E851	N570-L847 PolarHBondContact OD1-N 2.87Å; P591-L847 HydrophobicContact CB-CB 4.49Å; P591-L847 HydrophobicContact CB-CD1 3.96Å; P591-L847 HydrophobicContact CG-CD1 3.94Å; T593-L847 HydrophobicContact CG2-CD2 3.8Å; L847-E851 WeakPolarHBondContact O-CB 3.26Å; L847-E851 VanDerWaalsContact O-CG 3.25Å; L847-E851 WeakPolarHBondContact O-CG 3.06Å; L847-E851 PolarHBondContact O-N 3.19Å
848	Q	86.2	Confident	88	Confident	123 Å²	123	59 Å²	59	58%	0.575	31%	0.308	S	S	*	.	H	α-helix	trans	-71.7	-40.6	178.6	-170	-177.3	13.7	0	0	112.6	S846 F850 E851 N852	S846-Q848 PolarHBondContact O-N 2.89Å; S846-Q848 PolarHBondContact OG-N 3.36Å; Q848-F850 VanDerWaalsContact C-N 3.34Å; Q848-E851 PolarHBondContact O-N 2.97Å; Q848-N852 WeakPolarHBondContact O-CB 3.23Å; Q848-N852 PolarHBondContact O-N 3.27Å; Q848-N852 PolarHBondContact O-ND2 3.48Å
849	Q	87.7	Confident	88.6	Confident	105 Å²	105	58.1 Å²	58.1	49%	0.491	30%	0.303	S	S	.	.	H	α-helix	trans	-61	-46.2	173	-75.1	169.3	-33	0	0	110.5	M845 S846 E851 N852 E853	M845-Q849 HydrophobicContact CG-CB 3.71Å; S846-Q849 PolarHBondContact O-N 2.99Å; S846-Q849 WeakPolarHBondContact OG-CG 3.28Å; S846-Q849 PolarHBondContact OG-N 3.27Å; S846-Q849 VanDerWaalsContact OG-N 3.07Å; Q849-E851 PolarHBondContact O-N 3.28Å; Q849-N852 PolarHBondContact O-N 3.04Å; Q849-E853 PolarHBondContact O-N 3.26Å
850	F	91.8	Very high	89.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.8	-44.9	176.7	-177.3	-83.1	0	0	0	111.8	H607 I609 P790 L791 E794 M845 S846 Q848 E853 S854	H607-F850 HydrophobicContact CB-CD1 4.36Å; H607-F850 HydrophobicContact CB-CD2 3.8Å; H607-F850 HydrophobicContact CB-CE1 4.2Å; H607-F850 HydrophobicContact CB-CE2 3.6Å; H607-F850 HydrophobicContact CB-CG 4.19Å; H607-F850 HydrophobicContact CB-CZ 3.83Å; H607-F850 AromaticContact CD2-CD1 3.96Å; H607-F850 AromaticContact CD2-CD2 3.63Å; H607-F850 AromaticContact CD2-CG 3.42Å; H607-F850 VanDerWaalsContact CD2-CG 3.42Å; H607-F850 WeakPolarHBondContact CD2-CG 3.44Å; H607-F850 AromaticContact CG-CD2 3.8Å; I609-F850 HydrophobicContact CB-CE1 4.32Å; I609-F850 HydrophobicContact CB-CZ 3.99Å; P790-F850 HydrophobicContact CB-CD2 4.43Å; P790-F850 HydrophobicContact CB-CE2 4.46Å; L791-F850 HydrophobicContact CB-CD2 4.36Å; L791-F850 HydrophobicContact CB-CE2 4.24Å; L791-F850 HydrophobicContact CD1-CD2 4.08Å; L791-F850 HydrophobicContact CD1-CE2 3.77Å; L791-F850 HydrophobicContact CD1-CZ 4.24Å; E794-F850 HydrophobicContact CB-CE2 4.3Å; E794-F850 HydrophobicContact CB-CZ 4.05Å; E794-F850 HydrophobicContact CG-CE2 4.25Å; E794-F850 HydrophobicContact CG-CZ 3.92Å; M845-F850 HydrophobicContact CG-CB 4.12Å; M845-F850 VanDerWaalsContact SD-CA 3.52Å; M845-F850 HydrophobicContact SD-CB 3.67Å; M845-F850 HydrophobicContact SD-CD2 3.83Å; M845-F850 HydrophobicContact SD-CG 4.22Å; S846-F850 WeakPolarHBondContact O-CB 3.17Å; S846-F850 PolarHBondContact O-N 2.8Å; Q848-F850 VanDerWaalsContact C-N 3.34Å; F850-E853 PolarHBondContact O-N 3.05Å; F850-S854 WeakPolarHBondContact CD1-OG 3.47Å; F850-S854 WeakPolarHBondContact CE1-OG 3.49Å; F850-S854 VanDerWaalsContact O-CB 3.24Å; F850-S854 WeakPolarHBondContact O-CB 3.27Å; F850-S854 PolarHBondContact O-N 3.32Å; F850-S854 PolarHBondContact O-OG 2.88Å
851	E	91.2	Very high	89.6	Confident	89 Å²	89	50.4 Å²	50.4	42%	0.416	27%	0.267	S	S	.	.	H	α-helix	trans	-66.6	-32.7	177.2	-76.5	173.3	169	0	0	113.3	K611 L847 Q848 Q849 P855	K611-E851 IonicContact NZ-OE1 3.45Å; K611-E851 PolarHBondContact NZ-OE1 3.47Å; L847-E851 WeakPolarHBondContact O-CB 3.26Å; L847-E851 VanDerWaalsContact O-CG 3.25Å; L847-E851 WeakPolarHBondContact O-CG 3.06Å; L847-E851 PolarHBondContact O-N 3.19Å; Q848-E851 PolarHBondContact O-N 2.97Å; Q849-E851 PolarHBondContact O-N 3.28Å; E851-P855 VanDerWaalsContact O-CD 3.22Å; E851-P855 WeakPolarHBondContact O-CD 3.38Å
852	N	91.8	Very high	89.8	Confident	97 Å²	97	53.2 Å²	53.2	52%	0.519	28%	0.281	S	S	.	.	H	α-helix	trans	-71.7	-37.3	175.9	-72.1	-18.6	0	0	0	112.9	Q848 Q849	Q848-N852 WeakPolarHBondContact O-CB 3.23Å; Q848-N852 PolarHBondContact O-N 3.27Å; Q848-N852 PolarHBondContact O-ND2 3.48Å; Q849-N852 PolarHBondContact O-N 3.04Å
853	E	92.3	Very high	90.2	Very high	48 Å²	48	53.3 Å²	53.3	22%	0.224	28%	0.277	C	S	.	.	H	α-helix	trans	-86.1	-27.2	-179.8	-61.9	-50.5	126.2	0	0	113.2	L791 Q849 F850 K856 V857	L791-E853 HydrophobicContact CD2-CB 3.89Å; Q849-E853 PolarHBondContact O-N 3.26Å; F850-E853 PolarHBondContact O-N 3.05Å; E853-K856 WeakPolarHBondContact O-CB 3.46Å; E853-K856 PolarHBondContact O-N 3.35Å; E853-K856 WeakPolarHBondContact OE1-CE 3.49Å; E853-K856 IonicContact OE1-NZ 2.81Å; E853-K856 PolarHBondContact OE1-NZ 2.81Å; E853-K856 WeakPolarHBondContact OE2-CD 3.38Å; E853-K856 VanDerWaalsContact OE2-CE 3.24Å; E853-K856 WeakPolarHBondContact OE2-CE 3.45Å; E853-K856 IonicContact OE2-NZ 3.51Å; E853-K856 PolarHBondContact OE2-NZ 3.38Å; E853-V857 PolarHBondContact O-N 3.15Å; E853-V857 VanDerWaalsContact O-N 3.12Å
854	S	93.8	Very high	90.6	Very high	10 Å²	10	50 Å²	50	7%	0.07	25%	0.254	C	S	.	.	H	α-helix	trans	-47.8	-48.6	-178.7	-75.6	0	0	0	0	114.4	F850 K856 V857 L858	F850-S854 WeakPolarHBondContact CD1-OG 3.47Å; F850-S854 WeakPolarHBondContact CE1-OG 3.49Å; F850-S854 VanDerWaalsContact O-CB 3.24Å; F850-S854 WeakPolarHBondContact O-CB 3.27Å; F850-S854 PolarHBondContact O-N 3.32Å; F850-S854 PolarHBondContact O-OG 2.88Å; S854-K856 VanDerWaalsContact C-N 3.32Å; S854-K856 PolarHBondContact O-N 2.84Å; S854-V857 PolarHBondContact O-N 2.84Å; S854-L858 WeakPolarHBondContact O-CB 3.3Å; S854-L858 WeakPolarHBondContact O-CG 3.13Å; S854-L858 PolarHBondContact O-N 3.45Å
855	P	93.7	Very high	91.1	Very high	83 Å²	83	51.6 Å²	51.6	54%	0.539	25%	0.254	S	S	.	.	H	α-helix	trans	-65.1	-33.6	179.4	-21.3	33.8	0	0	0	113.3	E851 N859	E851-P855 VanDerWaalsContact O-CD 3.22Å; E851-P855 WeakPolarHBondContact O-CD 3.38Å; P855-N859 WeakPolarHBondContact O-CB 3.38Å; P855-N859 PolarHBondContact O-N 3.39Å
856	K	92.5	Very high	91.3	Very high	105 Å²	105	58.6 Å²	58.6	46%	0.457	29%	0.286	S	S	.	.	H	α-helix	trans	-67.2	-47.4	178.5	-51.8	-173.9	-153.1	159.4	0	110.2	E853 S854 N859 L860	E853-K856 WeakPolarHBondContact O-CB 3.46Å; E853-K856 PolarHBondContact O-N 3.35Å; E853-K856 WeakPolarHBondContact OE1-CE 3.49Å; E853-K856 IonicContact OE1-NZ 2.81Å; E853-K856 PolarHBondContact OE1-NZ 2.81Å; E853-K856 WeakPolarHBondContact OE2-CD 3.38Å; E853-K856 VanDerWaalsContact OE2-CE 3.24Å; E853-K856 WeakPolarHBondContact OE2-CE 3.45Å; E853-K856 IonicContact OE2-NZ 3.51Å; E853-K856 PolarHBondContact OE2-NZ 3.38Å; S854-K856 VanDerWaalsContact C-N 3.32Å; S854-K856 PolarHBondContact O-N 2.84Å; K856-N859 WeakPolarHBondContact O-CB 3.12Å; K856-N859 PolarHBondContact O-N 3.48Å; K856-L860 WeakPolarHBondContact O-CG 3.44Å; K856-L860 PolarHBondContact O-N 3.28Å; K856-L860 VanDerWaalsContact O-N 3.08Å
857	V	93.3	Very high	91.8	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-73.4	-32.4	-177.4	-165.4	0	0	0	0	112.1	L791 C795 L833 I839 F841 E853 S854 L860 I861	L791-V857 HydrophobicContact CD2-CG2 3.93Å; L791-V857 HydrophobicContact CG-CG2 4.33Å; C795-V857 WeakPolarHBondContact SG-CG1 3.47Å; L833-V857 HydrophobicContact CD1-CG1 3.99Å; L833-V857 HydrophobicContact CD2-CG1 4.03Å; I839-V857 HydrophobicContact CD1-CG2 4.13Å; F841-V857 HydrophobicContact CE1-CG2 4.43Å; E853-V857 PolarHBondContact O-N 3.15Å; E853-V857 VanDerWaalsContact O-N 3.12Å; S854-V857 PolarHBondContact O-N 2.84Å; V857-L860 PolarHBondContact O-N 2.85Å; V857-I861 HydrophobicContact CG1-CD1 4.46Å; V857-I861 VanDerWaalsContact O-CG1 3.31Å; V857-I861 WeakPolarHBondContact O-CG1 3.16Å; V857-I861 PolarHBondContact O-N 3.36Å
858	L	93.9	Very high	92.1	Very high	34 Å²	34	63.2 Å²	63.2	18%	0.178	31%	0.307	C	S	.	.	H	α-helix	trans	-59.1	-46.7	169.5	-75.4	176.2	0	0	0	112.3	I609 K610 S854 L860 I861 E862	I609-L858 HydrophobicContact CD1-CD2 3.92Å; I609-L858 HydrophobicContact CD1-CG 3.87Å; I609-L858 HydrophobicContact CG1-CD1 4.12Å; I609-L858 HydrophobicContact CG1-CD2 3.95Å; I609-L858 HydrophobicContact CG1-CG 3.8Å; I609-L858 HydrophobicContact CG2-CD2 4.45Å; K610-L858 HydrophobicContact CG-CD1 4.13Å; K610-L858 HydrophobicContact CG-CD2 4.19Å; S854-L858 WeakPolarHBondContact O-CB 3.3Å; S854-L858 WeakPolarHBondContact O-CG 3.13Å; S854-L858 PolarHBondContact O-N 3.45Å; L858-L860 VanDerWaalsContact C-N 3.32Å; L858-L860 PolarHBondContact O-N 3.08Å; L858-I861 WeakPolarHBondContact O-CB 3.31Å; L858-I861 PolarHBondContact O-N 2.66Å; L858-E862 PolarHBondContact O-N 3.14Å
859	N	93.9	Very high	92.4	Very high	86 Å²	86	62.5 Å²	62.5	46%	0.46	31%	0.306	S	S	.	.	H	α-helix	trans	-58.8	-42.8	175	176.7	17.8	0	0	0	111.7	P855 K856 E862 Q863	P855-N859 WeakPolarHBondContact O-CB 3.38Å; P855-N859 PolarHBondContact O-N 3.39Å; K856-N859 WeakPolarHBondContact O-CB 3.12Å; K856-N859 PolarHBondContact O-N 3.48Å; N859-E862 PolarHBondContact O-N 2.97Å; N859-Q863 WeakPolarHBondContact O-CG 3.37Å; N859-Q863 PolarHBondContact O-N 3.29Å; N859-Q863 PolarHBondContact OD1-NE2 3.28Å
860	L	94.1	Very high	92.6	Very high	12 Å²	12	64.6 Å²	64.6	6%	0.063	31%	0.313	C	S	.	.	H	α-helix	trans	-63.9	-43	176.1	-65.6	168.1	0	0	0	112.3	L833 L836 I839 K856 V857 L858 E862 Q863 I864 F871 Y877	L833-L860 HydrophobicContact CD2-CB 3.83Å; L833-L860 HydrophobicContact CD2-CD1 4.25Å; L836-L860 HydrophobicContact CD1-CD1 3.76Å; I839-L860 HydrophobicContact CD1-CD1 3.35Å; K856-L860 WeakPolarHBondContact O-CG 3.44Å; K856-L860 PolarHBondContact O-N 3.28Å; K856-L860 VanDerWaalsContact O-N 3.08Å; V857-L860 PolarHBondContact O-N 2.85Å; L858-L860 VanDerWaalsContact C-N 3.32Å; L858-L860 PolarHBondContact O-N 3.08Å; L860-E862 VanDerWaalsContact C-N 3.28Å; L860-E862 PolarHBondContact O-N 3.46Å; L860-Q863 PolarHBondContact O-N 3.01Å; L860-I864 WeakPolarHBondContact O-CB 3.47Å; L860-I864 WeakPolarHBondContact O-CD1 3.35Å; L860-I864 WeakPolarHBondContact O-CG1 3.42Å; L860-I864 PolarHBondContact O-N 3.36Å; L860-F871 HydrophobicContact CD2-CE2 3.67Å; L860-F871 HydrophobicContact CD2-CZ 3.99Å; L860-Y877 HydrophobicContact CD2-CD1 4.46Å; L860-Y877 HydrophobicContact CD2-CE1 3.64Å; L860-Y877 HydrophobicContact CD2-CE2 4.49Å
861	I	94.2	Very high	92.6	Very high	5 Å²	5	65 Å²	65	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-56.5	-42.8	173.7	-71	164.4	0	0	0	111.1	C795 V829 L833 V857 L858 R865	C795-I861 HydrophobicContact CB-CD1 3.76Å; V829-I861 HydrophobicContact CG1-CB 4.5Å; V829-I861 HydrophobicContact CG1-CG1 4.09Å; V829-I861 HydrophobicContact CG1-CG2 4.12Å; L833-I861 HydrophobicContact CD1-CG1 3.9Å; V857-I861 HydrophobicContact CG1-CD1 4.46Å; V857-I861 VanDerWaalsContact O-CG1 3.31Å; V857-I861 WeakPolarHBondContact O-CG1 3.16Å; V857-I861 PolarHBondContact O-N 3.36Å; L858-I861 WeakPolarHBondContact O-CB 3.31Å; L858-I861 PolarHBondContact O-N 2.66Å; I861-R865 WeakPolarHBondContact O-CB 3.35Å; I861-R865 VanDerWaalsContact O-CG 3.29Å; I861-R865 WeakPolarHBondContact O-CG 3.05Å; I861-R865 PolarHBondContact O-N 3.49Å
862	E	93	Very high	92.5	Very high	94 Å²	94	63.7 Å²	63.7	44%	0.439	31%	0.31	S	S	.	.	H	α-helix	trans	-67	-44.1	178.5	-72	-178.3	-173.7	0	0	112	L858 N859 L860 R865 Q866	L858-E862 PolarHBondContact O-N 3.14Å; N859-E862 PolarHBondContact O-N 2.97Å; L860-E862 VanDerWaalsContact C-N 3.28Å; L860-E862 PolarHBondContact O-N 3.46Å; E862-R865 PolarHBondContact O-N 3.48Å; E862-Q866 WeakPolarHBondContact O-CB 3.48Å; E862-Q866 VanDerWaalsContact O-CG 3.27Å; E862-Q866 WeakPolarHBondContact O-CG 3.29Å; E862-Q866 PolarHBondContact O-N 3.48Å
863	Q	93.5	Very high	92.4	Very high	54 Å²	54	62.9 Å²	62.9	25%	0.252	31%	0.309	S	S	.	.	H	α-helix	trans	-63.1	-43.2	176	-69.9	-178	51.3	0	0	112.7	N859 L860 R865 Q866 N867 F871 Y877	N859-Q863 WeakPolarHBondContact O-CG 3.37Å; N859-Q863 PolarHBondContact O-N 3.29Å; N859-Q863 PolarHBondContact OD1-NE2 3.28Å; L860-Q863 PolarHBondContact O-N 3.01Å; Q863-R865 VanDerWaalsContact C-N 3.32Å; Q863-R865 PolarHBondContact O-N 2.87Å; Q863-Q866 PolarHBondContact O-N 2.95Å; Q863-N867 PolarHBondContact O-N 3.42Å; Q863-F871 HydrophobicContact CB-CD2 4.11Å; Q863-Y877 PolarHBondContact OE1-OH 2.87Å
864	I	93.2	Very high	92.3	Very high	4 Å²	4	61.8 Å²	61.8	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-60.9	-41.3	175.5	-68.9	163.5	0	0	0	110.9	R828 V829 L833 L860 F868 F871	R828-I864 WeakPolarHBondContact O-CG2 3.46Å; V829-I864 HydrophobicContact CG2-CG2 4.43Å; L833-I864 HydrophobicContact CD2-CD1 3.76Å; L833-I864 HydrophobicContact CG-CD1 3.87Å; L860-I864 WeakPolarHBondContact O-CB 3.47Å; L860-I864 WeakPolarHBondContact O-CD1 3.35Å; L860-I864 WeakPolarHBondContact O-CG1 3.42Å; L860-I864 PolarHBondContact O-N 3.36Å; I864-F868 HydrophobicContact CG2-CD2 4.28Å; I864-F868 WeakPolarHBondContact O-CA 3.38Å; I864-F868 PolarHBondContact O-N 2.73Å; I864-F871 HydrophobicContact CD1-CD1 4.19Å; I864-F871 HydrophobicContact CD1-CE1 3.79Å; I864-F871 HydrophobicContact CD1-CE2 4.29Å; I864-F871 HydrophobicContact CD1-CZ 3.85Å; I864-F871 HydrophobicContact CG1-CB 4.33Å; I864-F871 HydrophobicContact CG1-CD1 3.5Å; I864-F871 HydrophobicContact CG1-CD2 3.72Å; I864-F871 HydrophobicContact CG1-CE1 3.61Å; I864-F871 HydrophobicContact CG1-CE2 3.82Å; I864-F871 HydrophobicContact CG1-CG 3.56Å; I864-F871 HydrophobicContact CG1-CZ 3.77Å
865	R	90.1	Very high	92.1	Very high	88 Å²	88	69.5 Å²	69.5	33%	0.332	35%	0.347	S	S	.	.	H	α-helix	trans	-71	-34.9	176.6	-76.1	170.8	66.4	-166.7	1.1	113	D802 E806 V829 I861 E862 Q863	D802-R865 IonicContact OD2-CZ 3.78Å; D802-R865 IonicContact OD2-NH1 3.78Å; D802-R865 PolarHBondContact OD2-NH1 2.97Å; D802-R865 IonicContact OD2-NH2 2.91Å; E806-R865 IonicContact OE1-CZ 2.89Å; E806-R865 IonicContact OE1-NH2 3.76Å; E806-R865 PolarHBondContact OE1-NH2 3.01Å; V829-R865 HydrophobicContact CG2-CG 4.19Å; I861-R865 WeakPolarHBondContact O-CB 3.35Å; I861-R865 VanDerWaalsContact O-CG 3.29Å; I861-R865 WeakPolarHBondContact O-CG 3.05Å; I861-R865 PolarHBondContact O-N 3.49Å; E862-R865 PolarHBondContact O-N 3.48Å; Q863-R865 VanDerWaalsContact C-N 3.32Å; Q863-R865 PolarHBondContact O-N 2.87Å
866	Q	90.6	Very high	91.8	Very high	154 Å²	154	72.4 Å²	72.4	72%	0.72	35%	0.353	S	S	*	.	H	α-helix	trans	-65.8	-49.2	176.4	-76.1	173.5	28	0	0	111.9	E862 Q863	E862-Q866 WeakPolarHBondContact O-CB 3.48Å; E862-Q866 VanDerWaalsContact O-CG 3.27Å; E862-Q866 WeakPolarHBondContact O-CG 3.29Å; E862-Q866 PolarHBondContact O-N 3.48Å; Q863-Q866 PolarHBondContact O-N 2.95Å
867	N	92.2	Very high	91.7	Very high	80 Å²	80	69.8 Å²	69.8	43%	0.428	34%	0.341	S	S	.	.	H	α-helix	trans	-157.4	89.3	175.3	-169.7	-28.3	0	0	0	111.9	Q863 M869 K870 F871	Q863-N867 PolarHBondContact O-N 3.42Å; N867-M869 VanDerWaalsContact C-N 3.31Å; N867-M869 PolarHBondContact O-N 3.31Å; N867-M869 PolarHBondContact OD1-N 2.94Å; N867-K870 HydrophobicContact CB-CB 3.87Å; N867-K870 VanDerWaalsContact CG-CB 3.47Å; N867-K870 PolarHBondContact O-N 2.89Å; N867-K870 PolarHBondContact OD1-N 2.95Å; N867-F871 PolarHBondContact O-N 3.47Å
868	F	91.3	Very high	91.5	Very high	56 Å²	56	73.1 Å²	73.1	25%	0.246	36%	0.361	C	S	.	.	H	α-helix	trans	-47.5	-47.5	175.7	170.8	-94.2	0	0	0	113.4	R828 P832 I864 F871 I872	R828-F868 HydrophobicContact CB-CD2 4.17Å; R828-F868 HydrophobicContact CB-CE2 4.47Å; R828-F868 HydrophobicContact CG-CD2 4.36Å; R828-F868 VanDerWaalsContact O-CD2 3.31Å; R828-F868 WeakPolarHBondContact O-CD2 3.49Å; R828-F868 WeakPolarHBondContact O-CE2 3.27Å; P832-F868 HydrophobicContact CG-CD2 4.37Å; P832-F868 HydrophobicContact CG-CE2 3.72Å; I864-F868 HydrophobicContact CG2-CD2 4.28Å; I864-F868 WeakPolarHBondContact O-CA 3.38Å; I864-F868 PolarHBondContact O-N 2.73Å; F868-F871 WeakPolarHBondContact O-CB 3.28Å; F868-F871 PolarHBondContact O-N 3.36Å; F868-I872 HydrophobicContact CD1-CD1 4.35Å; F868-I872 HydrophobicContact CD2-CG2 4.46Å; F868-I872 HydrophobicContact CE1-CD1 3.66Å; F868-I872 HydrophobicContact CE1-CG1 4.42Å; F868-I872 HydrophobicContact CE2-CG2 4.1Å; F868-I872 HydrophobicContact CZ-CD1 3.94Å; F868-I872 HydrophobicContact CZ-CG2 4.19Å; F868-I872 PolarHBondContact O-N 3.2Å
869	M	91.5	Very high	91.3	Very high	109 Å²	109	74.7 Å²	74.7	54%	0.537	37%	0.367	S	S	.	.	H	α-helix	trans	-64.1	-48.2	-178.4	-71.1	-55.4	-55.1	0	0	111.2	N867 F871 I872 T873	N867-M869 VanDerWaalsContact C-N 3.31Å; N867-M869 PolarHBondContact O-N 3.31Å; N867-M869 PolarHBondContact OD1-N 2.94Å; M869-F871 PolarHBondContact O-N 2.96Å; M869-I872 HydrophobicContact CE-CD1 4.28Å; M869-I872 WeakPolarHBondContact O-CG1 3.47Å; M869-I872 PolarHBondContact O-N 3.25Å; M869-I872 HydrophobicContact SD-CD1 4.17Å; M869-T873 WeakPolarHBondContact O-CG2 3.39Å; M869-T873 PolarHBondContact O-N 3.27Å; M869-T873 PolarHBondContact O-OG1 3.04Å; M869-T873 VanDerWaalsContact O-OG1 3.07Å
870	K	91.7	Very high	91	Very high	149 Å²	149	74.5 Å²	74.5	65%	0.648	36%	0.362	S	S	*	.	H	α-helix	trans	-59.5	-35.5	176.3	-176	-174.7	174.8	-170.9	0	111.8	N867 S874	N867-K870 HydrophobicContact CB-CB 3.87Å; N867-K870 VanDerWaalsContact CG-CB 3.47Å; N867-K870 PolarHBondContact O-N 2.89Å; N867-K870 PolarHBondContact OD1-N 2.95Å; K870-S874 WeakPolarHBondContact O-CB 3.46Å; K870-S874 PolarHBondContact O-N 3.29Å
871	F	92.5	Very high	90.4	Very high	7 Å²	7	81.2 Å²	81.2	3%	0.031	40%	0.397	C	S	.	.	H	α-helix	trans	-65.4	-54.6	176.8	-177.1	-90.5	0	0	0	111.7	P832 L836 L860 Q863 I864 N867 F868 M869 T873 S874 Y877 F879	P832-F871 HydrophobicContact CB-CE1 4.27Å; L836-F871 HydrophobicContact CD1-CZ 4.4Å; L836-F871 HydrophobicContact CD2-CE1 4.48Å; L836-F871 HydrophobicContact CD2-CZ 4.24Å; L860-F871 HydrophobicContact CD2-CE2 3.67Å; L860-F871 HydrophobicContact CD2-CZ 3.99Å; Q863-F871 HydrophobicContact CB-CD2 4.11Å; I864-F871 HydrophobicContact CD1-CD1 4.19Å; I864-F871 HydrophobicContact CD1-CE1 3.79Å; I864-F871 HydrophobicContact CD1-CE2 4.29Å; I864-F871 HydrophobicContact CD1-CZ 3.85Å; I864-F871 HydrophobicContact CG1-CB 4.33Å; I864-F871 HydrophobicContact CG1-CD1 3.5Å; I864-F871 HydrophobicContact CG1-CD2 3.72Å; I864-F871 HydrophobicContact CG1-CE1 3.61Å; I864-F871 HydrophobicContact CG1-CE2 3.82Å; I864-F871 HydrophobicContact CG1-CG 3.56Å; I864-F871 HydrophobicContact CG1-CZ 3.77Å; N867-F871 PolarHBondContact O-N 3.47Å; F868-F871 WeakPolarHBondContact O-CB 3.28Å; F868-F871 PolarHBondContact O-N 3.36Å; M869-F871 PolarHBondContact O-N 2.96Å; F871-T873 VanDerWaalsContact C-N 3.28Å; F871-T873 PolarHBondContact O-N 3Å; F871-S874 VanDerWaalsContact O-CB 3.3Å; F871-S874 WeakPolarHBondContact O-CB 3.44Å; F871-S874 PolarHBondContact O-N 3.46Å; F871-S874 VanDerWaalsContact O-N 3.11Å; F871-Y877 AromaticContact CD2-CD2 3.97Å; F871-Y877 HydrophobicContact CD2-CD2 3.97Å; F871-Y877 AromaticContact CD2-CE2 3.65Å; F871-Y877 HydrophobicContact CD2-CE2 3.65Å; F871-Y877 HydrophobicContact CE1-CD2 4.48Å; F871-Y877 AromaticContact CE2-CD2 3.61Å; F871-Y877 HydrophobicContact CE2-CD2 3.61Å; F871-Y877 HydrophobicContact CE2-CE1 4.48Å; F871-Y877 AromaticContact CE2-CE2 3.32Å; F871-Y877 HydrophobicContact CE2-CE2 3.32Å; F871-Y877 HydrophobicContact CE2-CG 4.33Å; F871-Y877 AromaticContact CE2-CZ 3.82Å; F871-Y877 AromaticContact CZ-CD2 3.89Å; F871-Y877 HydrophobicContact CZ-CD2 3.89Å; F871-Y877 HydrophobicContact CZ-CE2 4.05Å; F871-Y877 HydrophobicContact CZ-CG 4.24Å; F871-F879 HydrophobicContact CD1-CZ 4.25Å; F871-F879 HydrophobicContact CE1-CE1 4.19Å; F871-F879 AromaticContact CE1-CZ 3.82Å; F871-F879 HydrophobicContact CE1-CZ 3.82Å
872	I	89.5	Confident	89.7	Confident	63 Å²	63	88.7 Å²	88.7	32%	0.323	43%	0.43	S	S	.	.	H	α-helix	trans	-71.3	-20.3	-177.1	67.2	168	0	0	0	113.7	P832 F868 M869	P832-I872 HydrophobicContact CB-CG2 4.38Å; P832-I872 HydrophobicContact CG-CG2 4.4Å; F868-I872 HydrophobicContact CD1-CD1 4.35Å; F868-I872 HydrophobicContact CD2-CG2 4.46Å; F868-I872 HydrophobicContact CE1-CD1 3.66Å; F868-I872 HydrophobicContact CE1-CG1 4.42Å; F868-I872 HydrophobicContact CE2-CG2 4.1Å; F868-I872 HydrophobicContact CZ-CD1 3.94Å; F868-I872 HydrophobicContact CZ-CG2 4.19Å; F868-I872 PolarHBondContact O-N 3.2Å; M869-I872 HydrophobicContact CE-CD1 4.28Å; M869-I872 WeakPolarHBondContact O-CG1 3.47Å; M869-I872 PolarHBondContact O-N 3.25Å; M869-I872 HydrophobicContact SD-CD1 4.17Å
873	T	90.2	Very high	89.2	Confident	80 Å²	80	87 Å²	87	49%	0.491	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	15.9	171.7	71.9	0	0	0	0	113.1	M869 F871	M869-T873 WeakPolarHBondContact O-CG2 3.39Å; M869-T873 PolarHBondContact O-N 3.27Å; M869-T873 PolarHBondContact O-OG1 3.04Å; M869-T873 VanDerWaalsContact O-OG1 3.07Å; F871-T873 VanDerWaalsContact C-N 3.28Å; F871-T873 PolarHBondContact O-N 3Å
874	S	89.6	Confident	88.6	Confident	25 Å²	25	88.1 Å²	88.1	18%	0.175	44%	0.44	C	S	.	.			trans	-85.6	125.7	178.3	-171	0	0	0	0	111.2	K870 F871 Q876 Y877	K870-S874 WeakPolarHBondContact O-CB 3.46Å; K870-S874 PolarHBondContact O-N 3.29Å; F871-S874 VanDerWaalsContact O-CB 3.3Å; F871-S874 WeakPolarHBondContact O-CB 3.44Å; F871-S874 PolarHBondContact O-N 3.46Å; F871-S874 VanDerWaalsContact O-N 3.11Å; S874-Q876 PolarHBondContact O-N 3.37Å; S874-Q876 WeakPolarHBondContact OG-CB 3.45Å; S874-Q876 WeakPolarHBondContact OG-CG 3.33Å; S874-Q876 PolarHBondContact OG-N 2.95Å; S874-Q876 PolarHBondContact OG-OE1 2.82Å; S874-Q876 VanDerWaalsContact OG-OE1 3.14Å; S874-Y877 PolarHBondContact O-N 2.81Å
875	N	89	Confident	87.9	Confident	172 Å²	172	94.1 Å²	94.1	92%	0.92	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	4.1	170.7	-60.9	6.3	0	0	0	113.5
876	Q	88.7	Confident	87.6	Confident	143 Å²	143	89.9 Å²	89.9	67%	0.668	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-12	177.6	-62	174.6	-47.2	0	0	113.5	S874	S874-Q876 PolarHBondContact O-N 3.37Å; S874-Q876 WeakPolarHBondContact OG-CB 3.45Å; S874-Q876 WeakPolarHBondContact OG-CG 3.33Å; S874-Q876 PolarHBondContact OG-N 2.95Å; S874-Q876 PolarHBondContact OG-OE1 2.82Å; S874-Q876 VanDerWaalsContact OG-OE1 3.14Å
877	Y	89.7	Confident	87.4	Confident	50 Å²	50	85.7 Å²	85.7	20%	0.196	43%	0.429	C	S	.	.			trans	-128.6	130.4	-173.2	-61.3	-57.2	0	0	0	111.2	L836 L860 Q863 F871 S874	L836-Y877 HydrophobicContact CD2-CD1 4.23Å; L836-Y877 HydrophobicContact CD2-CG 4.2Å; L860-Y877 HydrophobicContact CD2-CD1 4.46Å; L860-Y877 HydrophobicContact CD2-CE1 3.64Å; L860-Y877 HydrophobicContact CD2-CE2 4.49Å; Q863-Y877 PolarHBondContact OE1-OH 2.87Å; F871-Y877 AromaticContact CD2-CD2 3.97Å; F871-Y877 HydrophobicContact CD2-CD2 3.97Å; F871-Y877 AromaticContact CD2-CE2 3.65Å; F871-Y877 HydrophobicContact CD2-CE2 3.65Å; F871-Y877 HydrophobicContact CE1-CD2 4.48Å; F871-Y877 AromaticContact CE2-CD2 3.61Å; F871-Y877 HydrophobicContact CE2-CD2 3.61Å; F871-Y877 HydrophobicContact CE2-CE1 4.48Å; F871-Y877 AromaticContact CE2-CE2 3.32Å; F871-Y877 HydrophobicContact CE2-CE2 3.32Å; F871-Y877 HydrophobicContact CE2-CG 4.33Å; F871-Y877 AromaticContact CE2-CZ 3.82Å; F871-Y877 AromaticContact CZ-CD2 3.89Å; F871-Y877 HydrophobicContact CZ-CD2 3.89Å; F871-Y877 HydrophobicContact CZ-CE2 4.05Å; F871-Y877 HydrophobicContact CZ-CG 4.24Å; S874-Y877 PolarHBondContact O-N 2.81Å
878	T	89.5	Confident	87	Confident	71 Å²	71	84.8 Å²	84.8	44%	0.436	43%	0.427	S	S	.	.			trans	-96.3	131.8	174.8	-47	0	0	0	0	109.3	Q837 D838	Q837-T878 HydrophobicContact CB-CG2 4.16Å; Q837-T878 WeakPolarHBondContact CB-O 3.48Å; Q837-T878 PolarHBondContact N-O 2.72Å; D838-T878 PolarHBondContact OD2-N 2.7Å
879	F	89.4	Confident	86.7	Confident	67 Å²	67	82.5 Å²	82.5	29%	0.294	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-111.1	134.4	178.1	-63.1	-84.7	0	0	0	111.1	P832 W835 L836 F871	P832-F879 HydrophobicContact CB-CE1 4.38Å; W835-F879 HydrophobicContact CB-CD1 4.27Å; W835-F879 CarbonylContact O-C 3.57Å; W835-F879 WeakPolarHBondContact O-CA 3.3Å; L836-F879 HydrophobicContact CD2-CD1 4.12Å; L836-F879 HydrophobicContact CD2-CE1 3.58Å; L836-F879 HydrophobicContact CD2-CZ 3.95Å; L836-F879 HydrophobicContact CG-CE1 4.18Å; F871-F879 HydrophobicContact CD1-CZ 4.25Å; F871-F879 HydrophobicContact CE1-CE1 4.19Å; F871-F879 AromaticContact CE1-CZ 3.82Å; F871-F879 HydrophobicContact CE1-CZ 3.82Å
880	K	86.9	Confident	86.3	Confident	81 Å²	81	78.4 Å²	78.4	35%	0.352	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-60.2	146.5	170.5	-70.4	156.8	177	143.5	0	109.8	W835 L836 Q837	W835-K880 HydrophobicContact CE3-CB 3.9Å; W835-K880 PolarHBondContact O-N 3.4Å; L836-K880 WeakPolarHBondContact O-CE 3.47Å; L836-K880 PolarHBondContact O-NZ 3.36Å; Q837-K880 HydrophobicContact CB-CG 4.17Å; Q837-K880 HydrophobicContact CG-CG 4.4Å
881	L	82.2	Confident	86	Confident	154 Å²	154	73.2 Å²	73.2	81%	0.806	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-62	138.1	178.1	-76.1	166.3	0	0	0	111.8
882	F	79.6	Confident	85.6	Confident	162 Å²	162	75.3 Å²	75.3	71%	0.711	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-71.7	153.8	176	75.9	-93.6	0	0	0	111.8	E886	F882-E886 WeakPolarHBondContact CA-OE2 3.27Å; F882-E886 VanDerWaalsContact CB-OE2 3.25Å; F882-E886 WeakPolarHBondContact CB-OE2 3.1Å
883	T	82	Confident	85	Confident	59 Å²	59	78.8 Å²	78.8	36%	0.362	40%	0.401	S	S	.	.			trans	-138	172.1	-180	83.4	0	0	0	0	111.2	K885 E886	T883-K885 PolarHBondContact O-N 3.45Å; T883-K885 WeakPolarHBondContact OG1-CB 3.39Å; T883-K885 PolarHBondContact OG1-N 3.25Å; T883-K885 VanDerWaalsContact OG1-N 3.07Å; T883-E886 WeakPolarHBondContact CA-OE1 3.47Å; T883-E886 WeakPolarHBondContact CB-OE1 3.32Å; T883-E886 VanDerWaalsContact N-CD 3.27Å; T883-E886 PolarHBondContact N-OE1 2.69Å; T883-E886 PolarHBondContact N-OE2 3.49Å; T883-E886 VanDerWaalsContact O-CD 3.25Å; T883-E886 VanDerWaalsContact O-OE1 3.09Å; T883-E886 PolarHBondContact OG1-OE1 2.85Å
884	S	80.3	Confident	84	Confident	77 Å²	77	76.9 Å²	76.9	54%	0.538	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-66.4	-16.9	171.9	52.6	0	0	0	0	113.4	E886 F887 T888	S884-E886 VanDerWaalsContact C-N 3.31Å; S884-E886 PolarHBondContact O-N 2.9Å; S884-F887 PolarHBondContact O-N 3.49Å; S884-T888 PolarHBondContact O-N 3.5Å; S884-T888 VanDerWaalsContact O-N 3.09Å; S884-T888 PolarHBondContact O-OG1 2.91Å
885	K	78.8	Confident	82.5	Confident	129 Å²	129	87 Å²	87	56%	0.561	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-65.9	-32.5	-176.1	-61.8	-179.2	179.6	177.8	0	112.1	T883 F887 T888	T883-K885 PolarHBondContact O-N 3.45Å; T883-K885 WeakPolarHBondContact OG1-CB 3.39Å; T883-K885 PolarHBondContact OG1-N 3.25Å; T883-K885 VanDerWaalsContact OG1-N 3.07Å; K885-F887 PolarHBondContact O-N 3.04Å; K885-T888 PolarHBondContact O-N 3.16Å
886	E	84.8	Confident	82.2	Confident	0 Å²	0	82.7 Å²	82.7	0%	0	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-60.2	-16.5	175.1	-65	99.1	-92.5	0	0	115.2	P778 A781 L782 Y831 W835 F882 T883 S884	P778-E886 WeakPolarHBondContact CA-O 3.42Å; A781-E886 VanDerWaalsContact CB-O 3.26Å; A781-E886 WeakPolarHBondContact CB-O 3.4Å; L782-E886 HydrophobicContact CD1-CB 4.25Å; L782-E886 HydrophobicContact CD1-CG 4.02Å; L782-E886 HydrophobicContact CD2-CG 4.32Å; Y831-E886 HydrophobicContact CE2-CB 4.14Å; Y831-E886 HydrophobicContact CE2-CG 4.05Å; W835-E886 HydrophobicContact CH2-CG 3.87Å; W835-E886 HydrophobicContact CZ2-CG 3.17Å; F882-E886 WeakPolarHBondContact CA-OE2 3.27Å; F882-E886 VanDerWaalsContact CB-OE2 3.25Å; F882-E886 WeakPolarHBondContact CB-OE2 3.1Å; T883-E886 WeakPolarHBondContact CA-OE1 3.47Å; T883-E886 WeakPolarHBondContact CB-OE1 3.32Å; T883-E886 VanDerWaalsContact N-CD 3.27Å; T883-E886 PolarHBondContact N-OE1 2.69Å; T883-E886 PolarHBondContact N-OE2 3.49Å; T883-E886 VanDerWaalsContact O-CD 3.25Å; T883-E886 VanDerWaalsContact O-OE1 3.09Å; T883-E886 PolarHBondContact OG1-OE1 2.85Å; S884-E886 VanDerWaalsContact C-N 3.31Å; S884-E886 PolarHBondContact O-N 2.9Å
887	F	85.9	Confident	81.8	Confident	65 Å²	65	79.5 Å²	79.5	29%	0.285	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-126.1	2.6	-178.4	-52.2	-83.3	0	0	0	112.2	R774 Y775 V776 P778 S884 K885	R774-F887 CarbonylContact C-O 3.56Å; Y775-F887 CarbonylContact C-O 3.56Å; Y775-F887 WeakPolarHBondContact CA-O 3.48Å; Y775-F887 HydrophobicContact CD1-CB 3.95Å; V776-F887 WeakPolarHBondContact CG2-O 3.43Å; V776-F887 PolarHBondContact N-O 3.22Å; V776-F887 WeakPolarHBondContact O-CA 3.29Å; P778-F887 HydrophobicContact CG-CD1 4.22Å; P778-F887 HydrophobicContact CG-CE1 3.71Å; P778-F887 HydrophobicContact CG-CZ 4.38Å; S884-F887 PolarHBondContact O-N 3.49Å; K885-F887 PolarHBondContact O-N 3.04Å
888	T	84.6	Confident	81.4	Confident	62 Å²	62	81.2 Å²	81.2	38%	0.38	42%	0.416	S	S	.	.	S	Bend	trans	-86.5	132	179.9	-61.4	0	0	0	0	110.4	A781 S884 K885	A781-T888 WeakPolarHBondContact CB-O 3.32Å; S884-T888 PolarHBondContact O-N 3.5Å; S884-T888 VanDerWaalsContact O-N 3.09Å; S884-T888 PolarHBondContact O-OG1 2.91Å; K885-T888 PolarHBondContact O-N 3.16Å
889	C	84	Confident	80.9	Confident	7 Å²	7	81.8 Å²	81.8	5%	0.047	42%	0.415	C	S	.	.			trans	-66.1	125.3	173.8	-164.4	0	0	0	0	110.2	V776 I891	V776-C889 HydrophobicContact CG1-CB 3.66Å; V776-C889 HydrophobicContact CG2-CB 4.48Å; C889-I891 HydrophobicContact CB-CD1 4.12Å; C889-I891 HydrophobicContact CB-CG1 4.2Å; C889-I891 PolarHBondContact O-N 3.45Å
890	P	83.1	Confident	80.4	Confident	23 Å²	23	82.7 Å²	82.7	15%	0.149	42%	0.422	C	S	.	.			trans	-79.8	85.9	-177.3	32.6	-34	0	0	0	109.7	S517 P518 P784	S517-P890 WeakPolarHBondContact CA-O 3.41Å; S517-P890 WeakPolarHBondContact CB-O 3.15Å; S517-P890 PolarHBondContact OG-O 3.4Å; P518-P890 WeakPolarHBondContact CD-O 3.43Å; P784-P890 HydrophobicContact CG-CG 4.37Å
891	I	85	Confident	79.9	Confident	41 Å²	41	82.8 Å²	82.8	21%	0.21	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-101.6	135.3	-178.3	-66	169.2	0	0	0	109.8	L520 F527 F759 C889 F893	L520-I891 HydrophobicContact CB-CG2 4.21Å; F527-I891 HydrophobicContact CE1-CD1 4.34Å; F527-I891 HydrophobicContact CE1-CG1 4.22Å; F527-I891 HydrophobicContact CE1-CG2 4.01Å; F527-I891 HydrophobicContact CZ-CD1 4.15Å; F527-I891 HydrophobicContact CZ-CG1 4.46Å; F759-I891 HydrophobicContact CE1-CD1 4.18Å; C889-I891 HydrophobicContact CB-CD1 4.12Å; C889-I891 HydrophobicContact CB-CG1 4.2Å; C889-I891 PolarHBondContact O-N 3.45Å; I891-F893 HydrophobicContact CB-CE2 4.4Å; I891-F893 HydrophobicContact CG2-CD2 4.49Å; I891-F893 HydrophobicContact CG2-CE2 4.13Å; I891-F893 HydrophobicContact CG2-CZ 4.2Å
892	Q	83.8	Confident	79.8	Confident	51 Å²	51	77.7 Å²	77.7	24%	0.238	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-90.6	127.4	167	-55.4	-166.4	-29.8	0	0	109.6	K514 P518 K519 L520	K514-Q892 PolarHBondContact O-NE2 2.78Å; K514-Q892 PolarHBondContact O-OE1 2.84Å; P518-Q892 PolarHBondContact O-N 3.08Å; K519-Q892 HydrophobicContact CG-CB 4.2Å; L520-Q892 VanDerWaalsContact CB-O 3.26Å; L520-Q892 WeakPolarHBondContact CB-O 3.45Å; L520-Q892 PolarHBondContact N-O 3.2Å
893	F	78	Confident	79.8	Confident	136 Å²	136	71.2 Å²	71.2	60%	0.596	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-88.7	149.9	168.9	-63.7	-92.1	0	0	0	108.8	L520 I891	L520-F893 HydrophobicContact CD2-CD1 3.7Å; L520-F893 HydrophobicContact CD2-CE1 3.8Å; I891-F893 HydrophobicContact CB-CE2 4.4Å; I891-F893 HydrophobicContact CG2-CD2 4.49Å; I891-F893 HydrophobicContact CG2-CE2 4.13Å; I891-F893 HydrophobicContact CG2-CZ 4.2Å
894	P	69	Low	79.6	Confident	40 Å²	40	72.3 Å²	72.3	26%	0.26	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-66.1	147.6	166.8	30.9	-32.1	0	0	0	109.1	L520 H524	L520-P894 WeakPolarHBondContact O-CD 2.97Å; H524-P894 VanDerWaalsContact CE1-CG 3.49Å; H524-P894 WeakPolarHBondContact CE1-CG 3.47Å
895	N	57.8	Low	79.5	Confident	236 Å²	236	71.8 Å²	71.8	100%	1.262	36%	0.363	S	S	*	.			trans	-80	0	-177.8	-74.8	-12	0	0	0	113

Retrieved 895 of 895 residues in 152.9 ms (Link to these results)

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