A0A061AD29_CAEEL Loading...

Vacuolar protein sorting-associated protein 8 central domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AD29, Species CAEEL (Caenorhabditis elegans), Gene vps-8, Length 1,122 aa.

						>A0A061AD29_CAEEL|A0A061AD29|vps-8
MGGASCVTFSLDGKFLAIGLQKGAIKIMTIDNKLYHMIDEGGQPGQGIIQVIYTKDNHTVLTLDNGGSFYECTISKPWLQKRKDKLRCHVSGCNGEVISMKMMPGDVIALLSVHRLIFYILKPRGQILGIFPIKFEYQFPPACSFWLGTPKTAINSPLNSLYSTTLKDFRVCISRGNKLAILRIHANNFFTKYRRATVIRQLELPCSLVNIHWMSNHMIVGIDSFGAVWQIDPEKGTAKKQDIEDLQLVFSTPILKGSATGGRVSEAVKAVAEFACYQSVTSATSTSERLIVLAHDGLKYLEKVHEWEQLERYKERNDVISASLYLLDVCRDKVRASEMFKRESHSLLAEKAHSLLTETVAGVGGGALSDLLAHYRKYIRVLLKVCITGRLLDFLYIACWDRLSMDSLSKTVFLDHLDEYVLDGALIDPPPPLVNEYLQHLAAEGHFSQFQSAVVRFPIHTLDLHTVMSICKQNSIYDGIIYVNNKALNDYITPLENMLAEMRTFAHRDMFSDSEQILGNKVLVYLNCCLSGMAYPFGALDEENRKRVPLETFRCISSLKEKDGSESDEQYPYLRLLLKYDPQQFLNVVSTCADVLLFQLDNRLQRFVDTIGQLCVNMKCELSLIHFLNLVVQLSERVLIAPPIEHVQDSVITLLRMSPWEHSSTENSILTALYHVTPDDKRRIIRAAQNPMRPTILSFLYLNDRKFEDLIKCYLESNSTEVYSSIGGILKEAELTDDESAEFRKYLMSIMENLFKIDGWLCANLINDHFRDVIASMAKSNEEERKMVFPVLAGIAQLRKVSNQPSFCNDDELDEKLFGIVFEGICKGWPSWMPSSEDPEYADRQLIALFPFWLQLAASTDFCLNIAVGNEHCVRTVIRLLEARQHLERAFDLLFEQLEKNKDHDNIMSEWLDETMKFCSRQSSKNETSDRMMRVFQFVSERVAEFEEDSEKQKKMDESLRTMCRQILSTGTKYAKQLVDKLLESPSFVESTFEDNGGLLLDIMASCEYEAELYQEMIYLIREENLSLAQKLEMEVSRRAPLMHNPNCITCEQPMHKSGYVFRCGHFQHIECSTNIDRTCTCDGIPDRLVVPREKPDRPEKRNIFENWDTKLNCRVFPKDSS
					

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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	55	Low	80.7	Confident	166 Å²	166	53.1 Å²	53.1	82%	0.818	32%	0.317	S	S	*	.				0	156.5	0	-66.6	175.8	-177.7	0	0	108.9	L20 M37	M1-L20 HydrophobicContact CB-CD1 4.05Å; M1-L20 HydrophobicContact CG-CD1 4.37Å; M1-L20 HydrophobicContact SD-CD1 4.2Å; M1-M37 HydrophobicContact CE-CE 3.69Å; M1-M37 HydrophobicContact SD-CE 4.08Å
2	G	67.6	Low	80.4	Confident	19 Å²	19	54.2 Å²	54.2	20%	0.196	32%	0.32	C	S	.	.			trans	-84.6	178.8	176.4	0	0	0	0	0	112.6
3	G	81.9	Confident	80.4	Confident	36 Å²	36	52.2 Å²	52.2	37%	0.371	32%	0.317	S	S	.	.			trans	-64.1	164.5	169.5	0	0	0	0	0	112.1	L20 Q21	G3-L20 WeakPolarHBondContact O-CA 3.48Å; G3-Q21 WeakPolarHBondContact O-CG 3.23Å; G3-Q21 PolarHBondContact O-N 3.4Å
4	A	85.9	Confident	80.6	Confident	62 Å²	62	57.4 Å²	57.4	51%	0.512	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	136.8	169.8	0	0	0	0	0	110	I18	A4-I18 HydrophobicContact CB-CG2 3.75Å
5	S	87.4	Confident	81	Confident	9 Å²	9	56.3 Å²	56.3	6%	0.063	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-28.1	-180	41.3	0	0	0	0	113.1	G19 L20 Q21 I48	S5-G19 PolarHBondContact N-O 2.91Å; S5-G19 PolarHBondContact OG-O 3.23Å; S5-L20 VanDerWaalsContact OG-C 3.3Å; S5-Q21 PolarHBondContact OG-N 3.31Å; S5-I48 WeakPolarHBondContact CB-O 3.36Å; S5-I48 PolarHBondContact OG-O 3.44Å
6	C	88.3	Confident	81.6	Confident	5 Å²	5	54.6 Å²	54.6	3%	0.034	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	156.6	175.6	54.3	0	0	0	0	110.6	I18 G19 I49 Q50 Q278	C6-I18 WeakPolarHBondContact O-CA 3.49Å; C6-G19 PolarHBondContact O-N 3Å; C6-I49 WeakPolarHBondContact CB-O 3.25Å; C6-I49 VanDerWaalsContact SG-C 3.59Å; C6-Q50 VanDerWaalsContact SG-CA 3.53Å; C6-Q278 HydrophobicContact CB-CG 4.4Å
7	V	88.1	Confident	82.1	Confident	72 Å²	72	51.4 Å²	51.4	44%	0.436	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	140.2	-176.5	178.8	0	0	0	0	109.2	L16 A17 I18	V7-L16 HydrophobicContact CG1-CD1 3.36Å; V7-L16 HydrophobicContact CG1-CD2 4.49Å; V7-L16 HydrophobicContact CG1-CG 4.03Å; V7-A17 WeakPolarHBondContact CA-O 3.23Å; V7-I18 HydrophobicContact CG2-CG1 4.35Å; V7-I18 HydrophobicContact CG2-CG2 4.29Å
8	T	87.4	Confident	82.6	Confident	31 Å²	31	49.9 Å²	49.9	19%	0.19	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	146.3	171.4	-169.7	0	0	0	0	111.4	A17 V51 Y53	T8-A17 HydrophobicContact CG2-CB 3.95Å; T8-A17 PolarHBondContact N-O 2.98Å; T8-A17 PolarHBondContact O-N 3.36Å; T8-V51 WeakPolarHBondContact CB-O 3.47Å; T8-V51 HydrophobicContact CG2-CB 3.95Å; T8-V51 HydrophobicContact CG2-CG1 3.72Å; T8-V51 VanDerWaalsContact CG2-O 3.25Å; T8-V51 WeakPolarHBondContact CG2-O 3.42Å; T8-Y53 HydrophobicContact CG2-CD2 3.76Å; T8-Y53 HydrophobicContact CG2-CE2 3.98Å
9	F	85.8	Confident	83.1	Confident	129 Å²	129	47.3 Å²	47.3	57%	0.566	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	150.2	171.8	-69	-92.8	0	0	0	110.4	F15 L16 Y53	F9-F15 CarbonylContact C-O 3.59Å; F9-F15 WeakPolarHBondContact CA-O 3.44Å; F9-L16 HydrophobicContact CD1-CD1 3.82Å; F9-L16 HydrophobicContact CD2-CD1 4.12Å; F9-L16 HydrophobicContact CE1-CD1 3.65Å; F9-L16 HydrophobicContact CE2-CD1 3.95Å; F9-L16 HydrophobicContact CG-CD1 4.06Å; F9-L16 HydrophobicContact CZ-CD1 3.71Å; F9-Y53 WeakPolarHBondContact O-CD2 3.21Å
10	S	84.8	Confident	83.4	Confident	6 Å²	6	45.6 Å²	45.6	4%	0.042	26%	0.26	C	S	.	.			trans	-66.2	159.8	167.8	62.5	0	0	0	0	111.2	D12 G13 K14 F15 Y53	S10-D12 WeakPolarHBondContact CB-OD1 3.39Å; S10-D12 PolarHBondContact O-N 3.04Å; S10-D12 PolarHBondContact OG-OD1 3.1Å; S10-G13 WeakPolarHBondContact O-CA 3.34Å; S10-G13 PolarHBondContact O-N 2.84Å; S10-K14 PolarHBondContact OG-N 3.07Å; S10-K14 VanDerWaalsContact OG-N 3.15Å; S10-F15 PolarHBondContact N-O 2.96Å; S10-F15 PolarHBondContact OG-N 3.23Å; S10-F15 PolarHBondContact OG-O 3.2Å; S10-Y53 VanDerWaalsContact CA-CD2 3.47Å
11	L	75.9	Confident	83.6	Confident	49 Å²	49	45.9 Å²	45.9	26%	0.257	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.6	-175.9	-64.4	163.1	0	0	0	112.9	T54 N57 L158 Y162	L11-T54 WeakPolarHBondContact CD1-O 3.31Å; L11-N57 PolarHBondContact N-OD1 2.81Å; L11-L158 HydrophobicContact CD2-CD2 3.95Å; L11-L158 WeakPolarHBondContact O-CD1 3.37Å; L11-Y162 HydrophobicContact CD1-CE2 3.62Å; L11-Y162 HydrophobicContact CD2-CE2 4.26Å
12	D	76.8	Confident	85	Confident	66 Å²	66	44.3 Å²	44.3	35%	0.353	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	4	171.5	68.9	-12.9	0	0	0	113	S10 K14 N57	S10-D12 WeakPolarHBondContact CB-OD1 3.39Å; S10-D12 PolarHBondContact O-N 3.04Å; S10-D12 PolarHBondContact OG-OD1 3.1Å; D12-K14 HydrophobicContact CB-CG 4.48Å; D12-K14 PolarHBondContact O-N 2.72Å; D12-K14 VanDerWaalsContact O-N 3.15Å; D12-K14 PolarHBondContact OD1-N 3.21Å; D12-K14 WeakPolarHBondContact OD2-CD 3.28Å; D12-K14 IonicContact OD2-NZ 2.86Å; D12-N57 PolarHBondContact OD1-ND2 2.77Å; D12-N57 VanDerWaalsContact OD1-ND2 3.12Å; D12-N57 PolarHBondContact OD2-ND2 3.49Å
13	G	80	Confident	85.9	Confident	28 Å²	28	43.6 Å²	43.6	29%	0.289	24%	0.241	S	C	.	.	S	Bend	trans	74	-14.5	-178	0	0	0	0	0	115.9	S10 F15 I30	S10-G13 WeakPolarHBondContact O-CA 3.34Å; S10-G13 PolarHBondContact O-N 2.84Å; G13-F15 PolarHBondContact O-N 3.24Å; G13-I30 WeakPolarHBondContact O-CD1 3.29Å; G13-I30 VanDerWaalsContact O-CG1 3.23Å; G13-I30 WeakPolarHBondContact O-CG1 3.35Å
14	K	83.1	Confident	86.3	Confident	126 Å²	126	42.4 Å²	42.4	55%	0.548	23%	0.227	S	C	.	.	S	Bend	trans	-72.2	-23.7	-166.1	-63.8	-176.9	-167.6	159.1	0	115.3	S10 D12 T29 I30	S10-K14 PolarHBondContact OG-N 3.07Å; S10-K14 VanDerWaalsContact OG-N 3.15Å; D12-K14 HydrophobicContact CB-CG 4.48Å; D12-K14 PolarHBondContact O-N 2.72Å; D12-K14 VanDerWaalsContact O-N 3.15Å; D12-K14 PolarHBondContact OD1-N 3.21Å; D12-K14 WeakPolarHBondContact OD2-CD 3.28Å; D12-K14 IonicContact OD2-NZ 2.86Å; K14-T29 WeakPolarHBondContact O-CA 3.25Å; K14-I30 PolarHBondContact O-N 2.92Å
15	F	87.1	Confident	86.6	Confident	41 Å²	41	39.4 Å²	39.4	18%	0.18	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	147.5	-175.9	-55.5	-80.8	0	0	0	111.4	F9 S10 G13 I27 M28 T29 Y35 Y53	F9-F15 CarbonylContact C-O 3.59Å; F9-F15 WeakPolarHBondContact CA-O 3.44Å; S10-F15 PolarHBondContact N-O 2.96Å; S10-F15 PolarHBondContact OG-N 3.23Å; S10-F15 PolarHBondContact OG-O 3.2Å; G13-F15 PolarHBondContact O-N 3.24Å; F15-I27 HydrophobicContact CB-CG2 4.34Å; F15-M28 CarbonylContact C-O 3.58Å; F15-M28 VanDerWaalsContact CA-O 3.29Å; F15-M28 WeakPolarHBondContact CA-O 3.27Å; F15-T29 HydrophobicContact CD1-CG2 4.26Å; F15-T29 HydrophobicContact CE1-CG2 4.15Å; F15-Y35 HydrophobicContact CD1-CD1 4.17Å; F15-Y35 HydrophobicContact CD1-CD2 4.36Å; F15-Y35 HydrophobicContact CD1-CG 4.02Å; F15-Y35 HydrophobicContact CE1-CD1 4.02Å; F15-Y35 AromaticContact CE1-CD2 3.64Å; F15-Y35 HydrophobicContact CE1-CD2 3.64Å; F15-Y35 HydrophobicContact CE1-CE1 4.19Å; F15-Y35 AromaticContact CE1-CE2 3.81Å; F15-Y35 HydrophobicContact CE1-CE2 3.81Å; F15-Y35 AromaticContact CE1-CG 3.74Å; F15-Y35 HydrophobicContact CE1-CG 3.74Å; F15-Y35 HydrophobicContact CZ-CE2 4.26Å; F15-Y53 WeakPolarHBondContact CB-OH 3.14Å
16	L	90.1	Very high	86.8	Confident	28 Å²	28	42.4 Å²	42.4	15%	0.147	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	116.7	178.4	-173.8	69.5	0	0	0	107.7	V7 F9 I18 I27 M28	V7-L16 HydrophobicContact CG1-CD1 3.36Å; V7-L16 HydrophobicContact CG1-CD2 4.49Å; V7-L16 HydrophobicContact CG1-CG 4.03Å; F9-L16 HydrophobicContact CD1-CD1 3.82Å; F9-L16 HydrophobicContact CD2-CD1 4.12Å; F9-L16 HydrophobicContact CE1-CD1 3.65Å; F9-L16 HydrophobicContact CE2-CD1 3.95Å; F9-L16 HydrophobicContact CG-CD1 4.06Å; F9-L16 HydrophobicContact CZ-CD1 3.71Å; L16-I18 HydrophobicContact CD2-CD1 4.07Å; L16-I18 HydrophobicContact CD2-CG1 4.18Å; L16-I18 HydrophobicContact CG-CG1 4.13Å; L16-I27 CarbonylContact O-C 3.51Å; L16-I27 WeakPolarHBondContact O-CA 3.34Å; L16-M28 HydrophobicContact CB-CB 4.5Å; L16-M28 PolarHBondContact N-O 3.44Å; L16-M28 PolarHBondContact O-N 3.4Å
17	A	90.7	Very high	86.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127	170.4	0	0	0	0	0	109.7	V7 T8 I25 I27 V51 Y53	V7-A17 WeakPolarHBondContact CA-O 3.23Å; T8-A17 HydrophobicContact CG2-CB 3.95Å; T8-A17 PolarHBondContact N-O 2.98Å; T8-A17 PolarHBondContact O-N 3.36Å; A17-I25 HydrophobicContact CB-CG2 4.35Å; A17-I27 HydrophobicContact CB-CG1 4.37Å; A17-V51 HydrophobicContact CB-CG1 3.8Å; A17-Y53 HydrophobicContact CB-CE2 3.57Å
18	I	91.8	Very high	86.9	Confident	26 Å²	26	39.6 Å²	39.6	13%	0.133	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	110.8	179.5	-54.3	174.9	0	0	0	107.4	A4 C6 V7 L16 L20 I25 K26 M28	A4-I18 HydrophobicContact CB-CG2 3.75Å; C6-I18 WeakPolarHBondContact O-CA 3.49Å; V7-I18 HydrophobicContact CG2-CG1 4.35Å; V7-I18 HydrophobicContact CG2-CG2 4.29Å; L16-I18 HydrophobicContact CD2-CD1 4.07Å; L16-I18 HydrophobicContact CD2-CG1 4.18Å; L16-I18 HydrophobicContact CG-CG1 4.13Å; I18-L20 HydrophobicContact CG2-CD2 3.95Å; I18-I25 WeakPolarHBondContact O-CA 3.37Å; I18-K26 HydrophobicContact CB-CB 4.39Å; I18-K26 PolarHBondContact N-O 3.14Å; I18-K26 PolarHBondContact O-N 2.67Å; I18-M28 HydrophobicContact CD1-SD 3.84Å
19	G	91.5	Very high	86.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	139.4	169.3	0	0	0	0	0	110.3	S5 C6	S5-G19 PolarHBondContact N-O 2.91Å; S5-G19 PolarHBondContact OG-O 3.23Å; C6-G19 PolarHBondContact O-N 3Å
20	L	89.8	Confident	86.8	Confident	13 Å²	13	38.3 Å²	38.3	7%	0.068	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	148.4	179.8	-53	178.4	0	0	0	111.3	M1 G3 S5 I18 K22 G23 A24 I48	M1-L20 HydrophobicContact CB-CD1 4.05Å; M1-L20 HydrophobicContact CG-CD1 4.37Å; M1-L20 HydrophobicContact SD-CD1 4.2Å; G3-L20 WeakPolarHBondContact O-CA 3.48Å; S5-L20 VanDerWaalsContact OG-C 3.3Å; I18-L20 HydrophobicContact CG2-CD2 3.95Å; L20-K22 PolarHBondContact O-N 3.33Å; L20-G23 PolarHBondContact O-N 3.19Å; L20-G23 VanDerWaalsContact O-N 3.08Å; L20-A24 VanDerWaalsContact CB-O 3.27Å; L20-A24 WeakPolarHBondContact CB-O 3.46Å; L20-A24 HydrophobicContact CD1-CB 4.22Å; L20-A24 WeakPolarHBondContact CG-O 3.31Å; L20-A24 PolarHBondContact N-O 3.46Å; L20-I48 PolarHBondContact O-N 2.78Å
21	Q	87	Confident	86.7	Confident	52 Å²	52	43.7 Å²	43.7	24%	0.243	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-7.1	179.3	-69.2	171.3	-5.8	0	0	115.1	G3 S5 G47 I254 A259 T260	G3-Q21 WeakPolarHBondContact O-CG 3.23Å; G3-Q21 PolarHBondContact O-N 3.4Å; S5-Q21 PolarHBondContact OG-N 3.31Å; Q21-G47 WeakPolarHBondContact O-CA 3.37Å; Q21-I254 HydrophobicContact CG-CG1 4.47Å; Q21-A259 HydrophobicContact CB-CB 3.69Å; Q21-A259 HydrophobicContact CG-CB 4.41Å; Q21-T260 WeakPolarHBondContact O-CG2 3.43Å
22	K	84.4	Confident	86.9	Confident	132 Å²	132	47.3 Å²	47.3	57%	0.574	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.3	24.4	177.2	-67.6	-170	174.7	-172.1	0	113.3	L20 A24 Q46	L20-K22 PolarHBondContact O-N 3.33Å; K22-A24 PolarHBondContact O-N 3.03Å; K22-Q46 CarbonylContact C-O 3.53Å
23	G	86.9	Confident	87.4	Confident	5 Å²	5	50.5 Å²	50.5	5%	0.052	25%	0.253	C	S	.	.	S	Bend	trans	92.3	-21.7	168	0	0	0	0	0	115.8	L20 G41 Q46 I48	L20-G23 PolarHBondContact O-N 3.19Å; L20-G23 VanDerWaalsContact O-N 3.08Å; G23-G41 WeakPolarHBondContact O-CA 3.39Å; G23-G41 PolarHBondContact O-N 2.79Å; G23-Q46 WeakPolarHBondContact CA-O 3.35Å; G23-Q46 PolarHBondContact N-O 3.46Å; G23-Q46 VanDerWaalsContact N-O 3.11Å; G23-I48 WeakPolarHBondContact O-CD1 3.25Å; G23-I48 WeakPolarHBondContact O-CG1 3.38Å
24	A	89.6	Confident	87.7	Confident	10 Å²	10	54 Å²	54	8%	0.083	26%	0.264	C	S	.	.			trans	-74.8	155.9	175.5	0	0	0	0	0	112.7	L20 K22 M37 I38 D39	L20-A24 VanDerWaalsContact CB-O 3.27Å; L20-A24 WeakPolarHBondContact CB-O 3.46Å; L20-A24 HydrophobicContact CD1-CB 4.22Å; L20-A24 WeakPolarHBondContact CG-O 3.31Å; L20-A24 PolarHBondContact N-O 3.46Å; K22-A24 PolarHBondContact O-N 3.03Å; A24-M37 HydrophobicContact CB-CE 4.44Å; A24-I38 CarbonylContact C-O 3.54Å; A24-I38 VanDerWaalsContact CA-O 3.23Å; A24-I38 WeakPolarHBondContact CA-O 3.41Å; A24-I38 WeakPolarHBondContact CB-O 3.46Å; A24-D39 WeakPolarHBondContact CA-O 3.43Å; A24-D39 WeakPolarHBondContact CB-O 3.41Å
25	I	92.3	Very high	87.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.3	175.2	-57.1	172.4	0	0	0	109	A17 I18 I27 I38 I48 V51 T62	A17-I25 HydrophobicContact CB-CG2 4.35Å; I18-I25 WeakPolarHBondContact O-CA 3.37Å; I25-I27 HydrophobicContact CG2-CG1 4.37Å; I25-I38 HydrophobicContact CB-CB 4.22Å; I25-I38 HydrophobicContact CB-CD1 4.25Å; I25-I38 HydrophobicContact CG2-CD1 4.45Å; I25-I38 PolarHBondContact N-O 3.33Å; I25-I38 PolarHBondContact O-N 3Å; I25-I48 HydrophobicContact CD1-CG1 4.33Å; I25-I48 HydrophobicContact CG1-CG1 3.98Å; I25-V51 HydrophobicContact CD1-CG2 4.13Å; I25-V51 HydrophobicContact CG1-CG2 4.49Å; I25-T62 HydrophobicContact CD1-CG2 3.25Å
26	K	91	Very high	87.9	Confident	72 Å²	72	51.2 Å²	51.2	31%	0.313	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.5	177.9	-176	179.9	-171.7	-162.9	0	109.2	I18 M28 L34 M37	I18-K26 HydrophobicContact CB-CB 4.39Å; I18-K26 PolarHBondContact N-O 3.14Å; I18-K26 PolarHBondContact O-N 2.67Å; K26-M28 HydrophobicContact CD-CG 4.18Å; K26-M28 HydrophobicContact CD-SD 3.72Å; K26-M28 WeakPolarHBondContact CE-SD 3.13Å; K26-M28 HydrophobicContact CG-CG 3.95Å; K26-M28 HydrophobicContact CG-SD 4.14Å; K26-M28 PolarHBondContact NZ-SD 3.12Å; K26-M28 VanDerWaalsContact NZ-SD 3.36Å; K26-L34 HydrophobicContact CD-CD1 4.38Å; K26-L34 HydrophobicContact CG-CD1 3.66Å; K26-M37 HydrophobicContact CB-CE 4.3Å; K26-M37 HydrophobicContact CB-SD 3.76Å; K26-M37 HydrophobicContact CD-SD 4.45Å; K26-M37 HydrophobicContact CG-SD 3.65Å
27	I	90.1	Very high	87.7	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.1	175.9	-56.7	-178.6	0	0	0	108.7	F15 L16 A17 I25 Y35 H36 I38 Y53 V60 I74	F15-I27 HydrophobicContact CB-CG2 4.34Å; L16-I27 CarbonylContact O-C 3.51Å; L16-I27 WeakPolarHBondContact O-CA 3.34Å; A17-I27 HydrophobicContact CB-CG1 4.37Å; I25-I27 HydrophobicContact CG2-CG1 4.37Å; I27-Y35 HydrophobicContact CG2-CD1 3.95Å; I27-Y35 PolarHBondContact O-N 3.48Å; I27-H36 HydrophobicContact CB-CB 4.24Å; I27-H36 PolarHBondContact N-O 2.85Å; I27-H36 PolarHBondContact O-N 3.4Å; I27-H36 VanDerWaalsContact O-N 3.13Å; I27-I38 HydrophobicContact CD1-CD1 4.07Å; I27-Y53 WeakPolarHBondContact CG2-OH 3.2Å; I27-V60 HydrophobicContact CD1-CG2 4.5Å; I27-I74 HydrophobicContact CD1-CD1 3.37Å; I27-I74 HydrophobicContact CD1-CG1 3.93Å
28	M	89.4	Confident	87.7	Confident	17 Å²	17	51.9 Å²	51.9	8%	0.084	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	157.2	-178.3	-62	178.2	56.8	0	0	110.6	F15 L16 I18 K26 N32 K33	F15-M28 CarbonylContact C-O 3.58Å; F15-M28 VanDerWaalsContact CA-O 3.29Å; F15-M28 WeakPolarHBondContact CA-O 3.27Å; L16-M28 HydrophobicContact CB-CB 4.5Å; L16-M28 PolarHBondContact N-O 3.44Å; L16-M28 PolarHBondContact O-N 3.4Å; I18-M28 HydrophobicContact CD1-SD 3.84Å; K26-M28 HydrophobicContact CD-CG 4.18Å; K26-M28 HydrophobicContact CD-SD 3.72Å; K26-M28 WeakPolarHBondContact CE-SD 3.13Å; K26-M28 HydrophobicContact CG-CG 3.95Å; K26-M28 HydrophobicContact CG-SD 4.14Å; K26-M28 PolarHBondContact NZ-SD 3.12Å; K26-M28 VanDerWaalsContact NZ-SD 3.36Å; M28-N32 HydrophobicContact CE-CB 4.09Å; M28-N32 VanDerWaalsContact CE-O 3.26Å; M28-N32 WeakPolarHBondContact CE-O 3.49Å; M28-K33 CarbonylContact C-O 3.56Å; M28-K33 WeakPolarHBondContact CA-O 3.42Å; M28-K33 WeakPolarHBondContact CB-O 3.18Å
29	T	87.3	Confident	87.3	Confident	30 Å²	30	56.3 Å²	56.3	18%	0.184	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	163.5	162.8	65.5	0	0	0	0	110.1	K14 F15 D31 N32 K33	K14-T29 WeakPolarHBondContact O-CA 3.25Å; F15-T29 HydrophobicContact CD1-CG2 4.26Å; F15-T29 HydrophobicContact CE1-CG2 4.15Å; T29-D31 PolarHBondContact O-N 2.57Å; T29-N32 PolarHBondContact O-N 2.74Å; T29-K33 PolarHBondContact N-O 2.94Å; T29-K33 PolarHBondContact OG1-N 2.68Å
30	I	82.8	Confident	87	Confident	103 Å²	103	62.4 Å²	62.4	53%	0.528	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-37.2	173.3	-46.2	177.6	0	0	0	111.2	G13 K14 N32	G13-I30 WeakPolarHBondContact O-CD1 3.29Å; G13-I30 VanDerWaalsContact O-CG1 3.23Å; G13-I30 WeakPolarHBondContact O-CG1 3.35Å; K14-I30 PolarHBondContact O-N 2.92Å; I30-N32 PolarHBondContact O-N 2.92Å
31	D	83.6	Confident	86.7	Confident	118 Å²	118	61.8 Å²	61.8	63%	0.631	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	17.7	176.6	-46.5	-25.4	0	0	0	114.4	T29 K33	T29-D31 PolarHBondContact O-N 2.57Å; D31-K33 PolarHBondContact O-N 2.87Å; D31-K33 VanDerWaalsContact O-N 3.1Å
32	N	80.8	Confident	86.8	Confident	125 Å²	125	59.5 Å²	59.5	67%	0.668	29%	0.294	S	S	*	.	S	Bend	trans	57.6	19.2	-178.2	-68.1	-43.7	0	0	0	116	M28 T29 I30	M28-N32 HydrophobicContact CE-CB 4.09Å; M28-N32 VanDerWaalsContact CE-O 3.26Å; M28-N32 WeakPolarHBondContact CE-O 3.49Å; T29-N32 PolarHBondContact O-N 2.74Å; I30-N32 PolarHBondContact O-N 2.92Å
33	K	86.8	Confident	86.9	Confident	134 Å²	134	57.1 Å²	57.1	58%	0.583	28%	0.284	S	S	*	.			trans	-86.2	138.8	175.1	-63.2	171.6	-174.9	162.6	0	110.2	M28 T29 D31 Y35	M28-K33 CarbonylContact C-O 3.56Å; M28-K33 WeakPolarHBondContact CA-O 3.42Å; M28-K33 WeakPolarHBondContact CB-O 3.18Å; T29-K33 PolarHBondContact N-O 2.94Å; T29-K33 PolarHBondContact OG1-N 2.68Å; D31-K33 PolarHBondContact O-N 2.87Å; D31-K33 VanDerWaalsContact O-N 3.1Å; K33-Y35 PolarHBondContact O-N 3.21Å
34	L	86.2	Confident	86.8	Confident	100 Å²	100	61.3 Å²	61.3	52%	0.524	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	121.2	171.7	-179.7	65.9	0	0	0	109.4	K26 M37	K26-L34 HydrophobicContact CD-CD1 4.38Å; K26-L34 HydrophobicContact CG-CD1 3.66Å; L34-M37 HydrophobicContact CD1-CG 3.93Å; L34-M37 HydrophobicContact CD1-SD 3.73Å; L34-M37 HydrophobicContact CD2-CG 3.99Å; L34-M37 HydrophobicContact CG-CG 4.46Å
35	Y	85.8	Confident	86.3	Confident	79 Å²	79	62.8 Å²	62.8	31%	0.31	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-46.7	176.5	178.8	-102.4	0	0	0	111.6	F15 I27 K33 P77	F15-Y35 HydrophobicContact CD1-CD1 4.17Å; F15-Y35 HydrophobicContact CD1-CD2 4.36Å; F15-Y35 HydrophobicContact CD1-CG 4.02Å; F15-Y35 HydrophobicContact CE1-CD1 4.02Å; F15-Y35 AromaticContact CE1-CD2 3.64Å; F15-Y35 HydrophobicContact CE1-CD2 3.64Å; F15-Y35 HydrophobicContact CE1-CE1 4.19Å; F15-Y35 AromaticContact CE1-CE2 3.81Å; F15-Y35 HydrophobicContact CE1-CE2 3.81Å; F15-Y35 AromaticContact CE1-CG 3.74Å; F15-Y35 HydrophobicContact CE1-CG 3.74Å; F15-Y35 HydrophobicContact CZ-CE2 4.26Å; I27-Y35 HydrophobicContact CG2-CD1 3.95Å; I27-Y35 PolarHBondContact O-N 3.48Å; K33-Y35 PolarHBondContact O-N 3.21Å; Y35-P77 HydrophobicContact CE2-CG 4.46Å
36	H	87.6	Confident	86.1	Confident	31 Å²	31	63.6 Å²	63.6	14%	0.144	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	154.3	-178.3	-164.2	69.4	0	0	0	111.7	I27 I74 D84	I27-H36 HydrophobicContact CB-CB 4.24Å; I27-H36 PolarHBondContact N-O 2.85Å; I27-H36 PolarHBondContact O-N 3.4Å; I27-H36 VanDerWaalsContact O-N 3.13Å; H36-I74 HydrophobicContact CB-CG2 4.47Å; H36-D84 IonicContact CD2-OD2 3.92Å; H36-D84 IonicContact CE1-OD1 2.77Å; H36-D84 IonicContact CE1-OD2 3.9Å; H36-D84 IonicContact NE2-OD1 2.67Å; H36-D84 PolarHBondContact NE2-OD1 2.97Å; H36-D84 IonicContact NE2-OD2 2.98Å; H36-D84 PolarHBondContact NE2-OD2 3.27Å
37	M	87.6	Confident	86	Confident	38 Å²	38	60.4 Å²	60.4	19%	0.187	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.3	172.7	-75.8	-62.3	-49.8	0	0	109.2	M1 A24 K26 L34	M1-M37 HydrophobicContact CE-CE 3.69Å; M1-M37 HydrophobicContact SD-CE 4.08Å; A24-M37 HydrophobicContact CB-CE 4.44Å; K26-M37 HydrophobicContact CB-CE 4.3Å; K26-M37 HydrophobicContact CB-SD 3.76Å; K26-M37 HydrophobicContact CD-SD 4.45Å; K26-M37 HydrophobicContact CG-SD 3.65Å; L34-M37 HydrophobicContact CD1-CG 3.93Å; L34-M37 HydrophobicContact CD1-SD 3.73Å; L34-M37 HydrophobicContact CD2-CG 3.99Å; L34-M37 HydrophobicContact CG-CG 4.46Å
38	I	89	Confident	86.1	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.021	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	109.5	168.9	-56.9	159.6	0	0	0	105.9	A24 I25 I27 C72 I74	A24-I38 CarbonylContact C-O 3.54Å; A24-I38 VanDerWaalsContact CA-O 3.23Å; A24-I38 WeakPolarHBondContact CA-O 3.41Å; A24-I38 WeakPolarHBondContact CB-O 3.46Å; I25-I38 HydrophobicContact CB-CB 4.22Å; I25-I38 HydrophobicContact CB-CD1 4.25Å; I25-I38 HydrophobicContact CG2-CD1 4.45Å; I25-I38 PolarHBondContact N-O 3.33Å; I25-I38 PolarHBondContact O-N 3Å; I27-I38 HydrophobicContact CD1-CD1 4.07Å; I38-C72 HydrophobicContact CD1-CB 4.5Å; I38-I74 HydrophobicContact CD1-CG1 4.43Å
39	D	84.7	Confident	86.1	Confident	119 Å²	119	60.1 Å²	60.1	64%	0.636	32%	0.316	S	S	*	.	S	Bend	trans	-71.1	-34	-174.8	-65.5	-46.4	0	0	0	112.8	A24	A24-D39 WeakPolarHBondContact CA-O 3.43Å; A24-D39 WeakPolarHBondContact CB-O 3.41Å
40	E	84.9	Confident	86.4	Confident	128 Å²	128	60 Å²	60	60%	0.598	31%	0.314	S	S	*	.			trans	-126.1	91.2	179	-66.3	-177.8	164.2	0	0	109.9
41	G	84	Confident	86.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.29	C	S	.	.	S	Bend	trans	-88.2	1.4	179	0	0	0	0	0	115	G23 T62	G23-G41 WeakPolarHBondContact O-CA 3.39Å; G23-G41 PolarHBondContact O-N 2.79Å; G41-T62 VanDerWaalsContact O-CB 3.3Å; G41-T62 WeakPolarHBondContact O-CB 3.35Å; G41-T62 PolarHBondContact O-OG1 2.98Å
42	G	87.7	Confident	87.2	Confident	4 Å²	4	50.9 Å²	50.9	4%	0.041	27%	0.266	C	S	.	.	S	Bend	trans	-168.8	-156.2	-174.1	0	0	0	0	0	111.5
43	Q	86.9	Confident	87.5	Confident	82 Å²	82	45.2 Å²	45.2	38%	0.383	24%	0.235	S	C	.	.	S	Bend	trans	-63.9	136.1	178.7	-171.7	177.5	6.2	0	0	111.6	G45 Q46 D64 Y70	Q43-G45 PolarHBondContact O-N 2.87Å; Q43-Q46 HydrophobicContact CB-CB 4.17Å; Q43-Q46 HydrophobicContact CB-CG 3.87Å; Q43-Q46 HydrophobicContact CG-CG 4.24Å; Q43-Q46 WeakPolarHBondContact O-CB 3.27Å; Q43-Q46 PolarHBondContact O-N 3.43Å; Q43-D64 VanDerWaalsContact CB-OD2 3.29Å; Q43-D64 WeakPolarHBondContact CB-OD2 3.06Å; Q43-D64 PolarHBondContact N-OD2 3.24Å; Q43-Y70 PolarHBondContact N-OH 2.97Å
44	P	84.3	Confident	87.4	Confident	93 Å²	93	39.2 Å²	39.2	60%	0.604	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	127.3	177.3	-29.1	36.4	0	0	0	113.1	Q46	P44-Q46 VanDerWaalsContact C-N 3.32Å
45	G	80.6	Confident	86.9	Confident	40 Å²	40	40.2 Å²	40.2	41%	0.412	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	7.7	-176.7	0	0	0	0	0	115.2	Q43 T260	Q43-G45 PolarHBondContact O-N 2.87Å; G45-T260 WeakPolarHBondContact O-CB 3.42Å; G45-T260 WeakPolarHBondContact O-CG2 3.1Å
46	Q	87.9	Confident	86.5	Confident	18 Å²	18	39.5 Å²	39.5	8%	0.084	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-102.8	156.8	168.6	-64.1	-62.4	13	0	0	111.5	K22 G23 Q43 P44 D64 N65 R263	K22-Q46 CarbonylContact C-O 3.53Å; G23-Q46 WeakPolarHBondContact CA-O 3.35Å; G23-Q46 PolarHBondContact N-O 3.46Å; G23-Q46 VanDerWaalsContact N-O 3.11Å; Q43-Q46 HydrophobicContact CB-CB 4.17Å; Q43-Q46 HydrophobicContact CB-CG 3.87Å; Q43-Q46 HydrophobicContact CG-CG 4.24Å; Q43-Q46 WeakPolarHBondContact O-CB 3.27Å; Q43-Q46 PolarHBondContact O-N 3.43Å; P44-Q46 VanDerWaalsContact C-N 3.32Å; Q46-D64 HydrophobicContact CB-CB 4.08Å; Q46-N65 WeakPolarHBondContact CA-OD1 3.48Å; Q46-N65 VanDerWaalsContact CB-OD1 3.25Å; Q46-N65 WeakPolarHBondContact CB-OD1 3.5Å; Q46-N65 VanDerWaalsContact OE1-CG 3.31Å; Q46-N65 PolarHBondContact OE1-ND2 2.95Å; Q46-N65 PolarHBondContact OE1-OD1 2.87Å; Q46-R263 PolarHBondContact NE2-O 3.06Å; Q46-R263 PolarHBondContact OE1-O 3.25Å
47	G	88.4	Confident	86.2	Confident	5 Å²	5	39.3 Å²	39.3	5%	0.052	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-101.3	145.2	177.9	0	0	0	0	0	111.6	Q21 D64 N65	Q21-G47 WeakPolarHBondContact O-CA 3.37Å; G47-D64 CarbonylContact O-C 3.58Å; G47-D64 VanDerWaalsContact O-CA 3.31Å; G47-D64 WeakPolarHBondContact O-CA 3.3Å; G47-N65 PolarHBondContact N-OD1 3.1Å; G47-N65 PolarHBondContact O-N 3.02Å; G47-N65 PolarHBondContact O-OD1 3.1Å
48	I	91.3	Very high	85.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	127.6	179.6	-51.9	-55.5	0	0	0	109.2	S5 L20 G23 I25 V51 D64	S5-I48 WeakPolarHBondContact CB-O 3.36Å; S5-I48 PolarHBondContact OG-O 3.44Å; L20-I48 PolarHBondContact O-N 2.78Å; G23-I48 WeakPolarHBondContact O-CD1 3.25Å; G23-I48 WeakPolarHBondContact O-CG1 3.38Å; I25-I48 HydrophobicContact CD1-CG1 4.33Å; I25-I48 HydrophobicContact CG1-CG1 3.98Å; I48-V51 HydrophobicContact CG2-CG2 3.52Å; I48-D64 HydrophobicContact CD1-CB 4.46Å
49	I	90.4	Very high	85.9	Confident	11 Å²	11	41.3 Å²	41.3	6%	0.056	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-22.3	180	64.2	173.2	0	0	0	113	C6 L63 D64 N65 I98 I254 L255 Q278	C6-I49 WeakPolarHBondContact CB-O 3.25Å; C6-I49 VanDerWaalsContact SG-C 3.59Å; I49-L63 HydrophobicContact CD1-CD2 3.75Å; I49-L63 HydrophobicContact CD1-CG 3.89Å; I49-L63 HydrophobicContact CG1-CB 4.17Å; I49-L63 HydrophobicContact CG1-CD2 3.94Å; I49-L63 HydrophobicContact CG1-CG 3.82Å; I49-L63 WeakPolarHBondContact CG1-O 3.45Å; I49-L63 PolarHBondContact N-O 3.23Å; I49-D64 WeakPolarHBondContact CD1-O 3.17Å; I49-N65 HydrophobicContact CG2-CB 3.58Å; I49-I98 WeakPolarHBondContact CD1-O 3.21Å; I49-I254 HydrophobicContact CB-CG2 4.43Å; I49-I254 HydrophobicContact CG2-CG2 3.87Å; I49-L255 HydrophobicContact CB-CD2 4.43Å; I49-L255 HydrophobicContact CD1-CD2 3.8Å; I49-L255 HydrophobicContact CG2-CD2 4.24Å; I49-Q278 PolarHBondContact O-NE2 2.66Å
50	Q	92.4	Very high	86.2	Confident	27 Å²	27	35.7 Å²	35.7	13%	0.126	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	144.8	174.1	-166.2	172.3	10.2	0	0	111.7	C6 I52 L63 S99 M100	C6-Q50 VanDerWaalsContact SG-CA 3.53Å; Q50-I52 HydrophobicContact CG-CG1 4.43Å; Q50-L63 HydrophobicContact CB-CB 4.26Å; Q50-L63 PolarHBondContact N-O 3.32Å; Q50-L63 PolarHBondContact O-N 3.22Å; Q50-S99 PolarHBondContact OE1-OG 3.33Å; Q50-M100 HydrophobicContact CB-CE 4.06Å; Q50-M100 VanDerWaalsContact CD-O 3.31Å; Q50-M100 HydrophobicContact CG-CE 4.04Å; Q50-M100 HydrophobicContact CG-CG 4.27Å; Q50-M100 PolarHBondContact NE2-O 3.43Å; Q50-M100 WeakPolarHBondContact O-CE 3.43Å; Q50-M100 VanDerWaalsContact OE1-CG 3.28Å; Q50-M100 PolarHBondContact OE1-O 3.21Å; Q50-M100 VanDerWaalsContact OE1-O 3.12Å
51	V	92.7	Very high	86.6	Confident	5 Å²	5	29.6 Å²	29.6	3%	0.03	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.6	174.7	-177.4	0	0	0	0	108.7	T8 A17 I25 I48 V60 L61	T8-V51 WeakPolarHBondContact CB-O 3.47Å; T8-V51 HydrophobicContact CG2-CB 3.95Å; T8-V51 HydrophobicContact CG2-CG1 3.72Å; T8-V51 VanDerWaalsContact CG2-O 3.25Å; T8-V51 WeakPolarHBondContact CG2-O 3.42Å; A17-V51 HydrophobicContact CB-CG1 3.8Å; I25-V51 HydrophobicContact CD1-CG2 4.13Å; I25-V51 HydrophobicContact CG1-CG2 4.49Å; I48-V51 HydrophobicContact CG2-CG2 3.52Å; V51-V60 HydrophobicContact CG1-CG1 3.24Å; V51-L61 CarbonylContact C-O 3.58Å; V51-L61 WeakPolarHBondContact CA-O 3.46Å
52	I	90.7	Very high	87	Confident	25 Å²	25	29.6 Å²	29.6	13%	0.128	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	133	176.9	-65.5	175.7	0	0	0	109.6	Q50 L61 M100 M102	Q50-I52 HydrophobicContact CG-CG1 4.43Å; I52-L61 HydrophobicContact CB-CB 4.27Å; I52-L61 PolarHBondContact N-O 3.42Å; I52-L61 WeakPolarHBondContact O-CB 3.37Å; I52-L61 PolarHBondContact O-N 2.85Å; I52-M100 HydrophobicContact CB-CE 4.35Å; I52-M100 HydrophobicContact CD1-CE 4.15Å; I52-M100 HydrophobicContact CD1-CG 3.88Å; I52-M100 HydrophobicContact CD1-SD 4.15Å; I52-M100 HydrophobicContact CG1-CE 4.06Å; I52-M102 HydrophobicContact CG2-CB 4.29Å; I52-M102 HydrophobicContact CG2-CE 4.25Å
53	Y	87.7	Confident	87.3	Confident	6 Å²	6	29.4 Å²	29.4	2%	0.024	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	142.5	170.3	-79.2	-86.7	0	0	0	112.4	T8 F9 S10 F15 A17 I27 V60	T8-Y53 HydrophobicContact CG2-CD2 3.76Å; T8-Y53 HydrophobicContact CG2-CE2 3.98Å; F9-Y53 WeakPolarHBondContact O-CD2 3.21Å; S10-Y53 VanDerWaalsContact CA-CD2 3.47Å; F15-Y53 WeakPolarHBondContact CB-OH 3.14Å; A17-Y53 HydrophobicContact CB-CE2 3.57Å; I27-Y53 WeakPolarHBondContact CG2-OH 3.2Å; Y53-V60 HydrophobicContact CD1-CG2 3.68Å; Y53-V60 HydrophobicContact CE1-CG2 3.6Å; Y53-V60 HydrophobicContact CG-CG2 4.38Å
54	T	85.3	Confident	87.5	Confident	9 Å²	9	25.5 Å²	25.5	6%	0.055	14%	0.142	C	C	.	.			trans	-90.1	172.1	165.8	87	0	0	0	0	111.7	L11 D56 N57 T59 L61	L11-T54 WeakPolarHBondContact CD1-O 3.31Å; T54-D56 PolarHBondContact O-N 2.68Å; T54-D56 PolarHBondContact OG1-OD1 3.38Å; T54-N57 PolarHBondContact O-N 3.36Å; T54-N57 VanDerWaalsContact O-N 3.09Å; T54-T59 HydrophobicContact CG2-CG2 4.18Å; T54-T59 PolarHBondContact N-O 2.8Å; T54-T59 PolarHBondContact OG1-O 2.97Å; T54-L61 HydrophobicContact CG2-CD1 4.17Å; T54-L61 HydrophobicContact CG2-CD2 4.03Å; T54-L61 HydrophobicContact CG2-CG 3.77Å
55	K	76	Confident	87.6	Confident	121 Å²	121	21.3 Å²	21.3	53%	0.526	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-28.3	-177.3	-159.6	-173.2	-167.2	167.4	0	115.5	Y162	K55-Y162 HydrophobicContact CB-CD1 3.89Å; K55-Y162 HydrophobicContact CB-CD2 4.24Å; K55-Y162 HydrophobicContact CB-CE1 3.93Å; K55-Y162 HydrophobicContact CB-CE2 4.28Å; K55-Y162 HydrophobicContact CB-CG 4.05Å; K55-Y162 HydrophobicContact CD-CD1 4.18Å; K55-Y162 HydrophobicContact CD-CD2 4.34Å; K55-Y162 HydrophobicContact CD-CG 3.79Å; K55-Y162 VanDerWaalsContact CE-CB 3.46Å; K55-Y162 HydrophobicContact CG-CD1 4.2Å; K55-Y162 HydrophobicContact CG-CD2 3.95Å; K55-Y162 HydrophobicContact CG-CE2 4.38Å; K55-Y162 HydrophobicContact CG-CG 3.84Å; K55-Y162 PolarHBondContact NZ-O 3.43Å
56	D	77	Confident	87.9	Confident	64 Å²	64	19.8 Å²	19.8	34%	0.342	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-7.4	-175.2	65.2	12.5	0	0	0	114.4	T54 H58 T59	T54-D56 PolarHBondContact O-N 2.68Å; T54-D56 PolarHBondContact OG1-OD1 3.38Å; D56-H58 PolarHBondContact O-CD2 3.15Å; D56-H58 PolarHBondContact O-N 3.06Å; D56-H58 PolarHBondContact OD1-N 3.08Å; D56-T59 WeakPolarHBondContact OD1-CB 3.11Å; D56-T59 PolarHBondContact OD1-N 3.28Å; D56-T59 PolarHBondContact OD1-OG1 3.22Å; D56-T59 WeakPolarHBondContact OD2-CB 3.45Å; D56-T59 PolarHBondContact OD2-OG1 3.34Å
57	N	80.1	Confident	87.9	Confident	27 Å²	27	19 Å²	19	14%	0.144	10%	0.095	C	C	.	.	S	Bend	trans	52.4	2.7	-170.6	-66	-24.6	0	0	0	115.6	L11 D12 T54	L11-N57 PolarHBondContact N-OD1 2.81Å; D12-N57 PolarHBondContact OD1-ND2 2.77Å; D12-N57 VanDerWaalsContact OD1-ND2 3.12Å; D12-N57 PolarHBondContact OD2-ND2 3.49Å; T54-N57 PolarHBondContact O-N 3.36Å; T54-N57 VanDerWaalsContact O-N 3.09Å
58	H	82.4	Confident	87.9	Confident	77 Å²	77	18.7 Å²	18.7	36%	0.356	9%	0.093	S	C	.	.	S	Bend	trans	-108.3	-13.4	179.9	-72.4	-54	0	0	0	112.3	D56 I74	D56-H58 PolarHBondContact O-CD2 3.15Å; D56-H58 PolarHBondContact O-N 3.06Å; D56-H58 PolarHBondContact OD1-N 3.08Å; H58-I74 VanDerWaalsContact O-CB 3.31Å; H58-I74 WeakPolarHBondContact O-CB 3.45Å; H58-I74 WeakPolarHBondContact O-CG1 3.28Å; H58-I74 PolarHBondContact O-N 2.77Å
59	T	87.8	Confident	87.9	Confident	7 Å²	7	18.8 Å²	18.8	4%	0.043	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.8	174.4	-52.5	0	0	0	0	109	T54 D56 E71 C72	T54-T59 HydrophobicContact CG2-CG2 4.18Å; T54-T59 PolarHBondContact N-O 2.8Å; T54-T59 PolarHBondContact OG1-O 2.97Å; D56-T59 WeakPolarHBondContact OD1-CB 3.11Å; D56-T59 PolarHBondContact OD1-N 3.28Å; D56-T59 PolarHBondContact OD1-OG1 3.22Å; D56-T59 WeakPolarHBondContact OD2-CB 3.45Å; D56-T59 PolarHBondContact OD2-OG1 3.34Å; T59-E71 HydrophobicContact CG2-CG 3.38Å; T59-C72 WeakPolarHBondContact CA-O 3.27Å
60	V	91.2	Very high	88	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.8	-179.4	172.6	0	0	0	0	108.7	I27 V51 Y53 T62 C72 I74	I27-V60 HydrophobicContact CD1-CG2 4.5Å; V51-V60 HydrophobicContact CG1-CG1 3.24Å; Y53-V60 HydrophobicContact CD1-CG2 3.68Å; Y53-V60 HydrophobicContact CE1-CG2 3.6Å; Y53-V60 HydrophobicContact CG-CG2 4.38Å; V60-T62 HydrophobicContact CG1-CG2 4.16Å; V60-C72 PolarHBondContact N-O 3.02Å; V60-C72 PolarHBondContact O-N 3.25Å; V60-I74 HydrophobicContact CG2-CD1 3.86Å
61	L	92.9	Very high	87.9	Confident	1 Å²	1	18.8 Å²	18.8	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	139.3	174.1	-62.7	-174.6	0	0	0	109.9	V51 I52 T54 F69 Y70 E71 M100 M102 I108 L121	V51-L61 CarbonylContact C-O 3.58Å; V51-L61 WeakPolarHBondContact CA-O 3.46Å; I52-L61 HydrophobicContact CB-CB 4.27Å; I52-L61 PolarHBondContact N-O 3.42Å; I52-L61 WeakPolarHBondContact O-CB 3.37Å; I52-L61 PolarHBondContact O-N 2.85Å; T54-L61 HydrophobicContact CG2-CD1 4.17Å; T54-L61 HydrophobicContact CG2-CD2 4.03Å; T54-L61 HydrophobicContact CG2-CG 3.77Å; L61-F69 HydrophobicContact CB-CE2 4.06Å; L61-F69 HydrophobicContact CD1-CE2 4.25Å; L61-F69 HydrophobicContact CD1-CZ 4.38Å; L61-F69 HydrophobicContact CD2-CE2 3.99Å; L61-F69 HydrophobicContact CD2-CZ 3.94Å; L61-F69 HydrophobicContact CG-CE2 4.31Å; L61-Y70 WeakPolarHBondContact CA-O 3.35Å; L61-E71 HydrophobicContact CD2-CB 4.11Å; L61-E71 HydrophobicContact CD2-CG 4.31Å; L61-M100 HydrophobicContact CB-CE 4.2Å; L61-M100 HydrophobicContact CB-SD 4.34Å; L61-M102 HydrophobicContact CD1-CE 3.49Å; L61-M102 VanDerWaalsContact CD1-CE 3.49Å; L61-I108 HydrophobicContact CD1-CD1 3.61Å; L61-I108 HydrophobicContact CD1-CG1 4.39Å; L61-L121 HydrophobicContact CD1-CD1 4.19Å; L61-L121 HydrophobicContact CD2-CD1 4.45Å; L61-L121 HydrophobicContact CD2-CD2 4.09Å
62	T	93.7	Very high	87.8	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	141.4	-175.5	70	0	0	0	0	110.2	I25 G41 V60 F69 Y70	I25-T62 HydrophobicContact CD1-CG2 3.25Å; G41-T62 VanDerWaalsContact O-CB 3.3Å; G41-T62 WeakPolarHBondContact O-CB 3.35Å; G41-T62 PolarHBondContact O-OG1 2.98Å; V60-T62 HydrophobicContact CG1-CG2 4.16Å; T62-F69 WeakPolarHBondContact O-CA 3.32Å; T62-F69 WeakPolarHBondContact O-CD2 3.28Å; T62-Y70 PolarHBondContact N-O 3.35Å; T62-Y70 PolarHBondContact O-N 2.88Å; T62-Y70 WeakPolarHBondContact OG1-CB 3.37Å
63	L	93	Very high	87.7	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.2	171.4	-177.1	69.1	0	0	0	107.3	I49 Q50 F69 V97 M100	I49-L63 HydrophobicContact CD1-CD2 3.75Å; I49-L63 HydrophobicContact CD1-CG 3.89Å; I49-L63 HydrophobicContact CG1-CB 4.17Å; I49-L63 HydrophobicContact CG1-CD2 3.94Å; I49-L63 HydrophobicContact CG1-CG 3.82Å; I49-L63 WeakPolarHBondContact CG1-O 3.45Å; I49-L63 PolarHBondContact N-O 3.23Å; Q50-L63 HydrophobicContact CB-CB 4.26Å; Q50-L63 PolarHBondContact N-O 3.32Å; Q50-L63 PolarHBondContact O-N 3.22Å; L63-F69 HydrophobicContact CD1-CB 4.25Å; L63-V97 HydrophobicContact CD1-CB 4.16Å; L63-V97 HydrophobicContact CD1-CG1 3.68Å; L63-V97 HydrophobicContact CD2-CG1 4.13Å; L63-M100 HydrophobicContact CB-CE 3.94Å; L63-M100 HydrophobicContact CB-CG 4.35Å; L63-M100 HydrophobicContact CB-SD 4.25Å; L63-M100 HydrophobicContact CD2-CG 4.36Å
64	D	90.9	Very high	87.6	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	163.9	174.6	67.3	28.6	0	0	0	112.9	Q43 Q46 G47 I48 I49 G66 G67 S68 Y70	Q43-D64 VanDerWaalsContact CB-OD2 3.29Å; Q43-D64 WeakPolarHBondContact CB-OD2 3.06Å; Q43-D64 PolarHBondContact N-OD2 3.24Å; Q46-D64 HydrophobicContact CB-CB 4.08Å; G47-D64 CarbonylContact O-C 3.58Å; G47-D64 VanDerWaalsContact O-CA 3.31Å; G47-D64 WeakPolarHBondContact O-CA 3.3Å; I48-D64 HydrophobicContact CD1-CB 4.46Å; I49-D64 WeakPolarHBondContact CD1-O 3.17Å; D64-G66 PolarHBondContact O-N 3.22Å; D64-G66 WeakPolarHBondContact OD1-CA 3.27Å; D64-G66 PolarHBondContact OD1-N 2.97Å; D64-G67 PolarHBondContact O-N 3.41Å; D64-G67 PolarHBondContact OD1-N 3.19Å; D64-G67 VanDerWaalsContact OD1-N 3.12Å; D64-S68 PolarHBondContact N-O 3.07Å; D64-S68 VanDerWaalsContact N-O 3.14Å; D64-S68 WeakPolarHBondContact OD1-CB 3.1Å; D64-S68 PolarHBondContact OD1-N 3.37Å; D64-Y70 WeakPolarHBondContact OD2-CE2 3.37Å
65	N	87.3	Confident	87.1	Confident	4 Å²	4	21 Å²	21	2%	0.021	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-9.1	174.7	68.2	-49.1	0	0	0	112.8	Q46 G47 I49 T260 V264	Q46-N65 WeakPolarHBondContact CA-OD1 3.48Å; Q46-N65 VanDerWaalsContact CB-OD1 3.25Å; Q46-N65 WeakPolarHBondContact CB-OD1 3.5Å; Q46-N65 VanDerWaalsContact OE1-CG 3.31Å; Q46-N65 PolarHBondContact OE1-ND2 2.95Å; Q46-N65 PolarHBondContact OE1-OD1 2.87Å; G47-N65 PolarHBondContact N-OD1 3.1Å; G47-N65 PolarHBondContact O-N 3.02Å; G47-N65 PolarHBondContact O-OD1 3.1Å; I49-N65 HydrophobicContact CG2-CB 3.58Å; N65-T260 PolarHBondContact ND2-OG1 3.03Å; N65-V264 HydrophobicContact CB-CG1 3.83Å; N65-V264 WeakPolarHBondContact ND2-CG1 3.38Å; N65-V264 WeakPolarHBondContact O-CG1 3.49Å
66	G	85.9	Confident	86.8	Confident	8 Å²	8	20 Å²	20	8%	0.082	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	3.2	167.3	0	0	0	0	0	113.4	D64 S68 G95	D64-G66 PolarHBondContact O-N 3.22Å; D64-G66 WeakPolarHBondContact OD1-CA 3.27Å; D64-G66 PolarHBondContact OD1-N 2.97Å; G66-S68 VanDerWaalsContact C-N 3.29Å; G66-S68 PolarHBondContact O-N 2.81Å; G66-G95 VanDerWaalsContact O-CA 3.28Å; G66-G95 WeakPolarHBondContact O-CA 3.47Å
67	G	88.1	Confident	85.8	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.01	11%	0.107	C	C	.	.	S	Bend	trans	69.5	23.9	179.1	0	0	0	0	0	114	D64 V97	D64-G67 PolarHBondContact O-N 3.41Å; D64-G67 PolarHBondContact OD1-N 3.19Å; D64-G67 VanDerWaalsContact OD1-N 3.12Å; G67-V97 WeakPolarHBondContact CA-O 3.32Å
68	S	89.9	Confident	84.8	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.			trans	-105.3	136.3	179.3	-60.1	0	0	0	0	111.2	D64 G66 Y70 V90 G92	D64-S68 PolarHBondContact N-O 3.07Å; D64-S68 VanDerWaalsContact N-O 3.14Å; D64-S68 WeakPolarHBondContact OD1-CB 3.1Å; D64-S68 PolarHBondContact OD1-N 3.37Å; G66-S68 VanDerWaalsContact C-N 3.29Å; G66-S68 PolarHBondContact O-N 2.81Å; S68-Y70 VanDerWaalsContact CB-CE2 3.43Å; S68-V90 CarbonylContact C-O 3.57Å; S68-V90 WeakPolarHBondContact CA-O 3.33Å; S68-G92 PolarHBondContact OG-N 3.24Å
69	F	91.4	Very high	83.4	Confident	1 Å²	1	28.2 Å²	28.2	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.9	-174.8	163.6	-114.7	0	0	0	110.8	L61 T62 L63 H89 V90 M100 I108 L110 Y119 L121	L61-F69 HydrophobicContact CB-CE2 4.06Å; L61-F69 HydrophobicContact CD1-CE2 4.25Å; L61-F69 HydrophobicContact CD1-CZ 4.38Å; L61-F69 HydrophobicContact CD2-CE2 3.99Å; L61-F69 HydrophobicContact CD2-CZ 3.94Å; L61-F69 HydrophobicContact CG-CE2 4.31Å; T62-F69 WeakPolarHBondContact O-CA 3.32Å; T62-F69 WeakPolarHBondContact O-CD2 3.28Å; L63-F69 HydrophobicContact CD1-CB 4.25Å; F69-H89 HydrophobicContact CD1-CB 3.56Å; F69-H89 HydrophobicContact CE1-CB 3.51Å; F69-H89 AromaticContact CE1-CD2 3.95Å; F69-H89 AromaticContact CE1-CG 3.95Å; F69-H89 PolarHBondContact O-N 3.14Å; F69-V90 HydrophobicContact CB-CB 4.24Å; F69-V90 HydrophobicContact CD1-CG2 4.27Å; F69-V90 PolarHBondContact N-O 3.5Å; F69-V90 PolarHBondContact O-N 2.89Å; F69-M100 HydrophobicContact CD2-SD 3.94Å; F69-M100 HydrophobicContact CE2-SD 3.98Å; F69-I108 HydrophobicContact CE1-CD1 3.91Å; F69-I108 HydrophobicContact CE2-CD1 3.89Å; F69-I108 HydrophobicContact CZ-CD1 3.26Å; F69-L110 HydrophobicContact CB-CD2 4.43Å; F69-L110 HydrophobicContact CD1-CD1 4.42Å; F69-L110 HydrophobicContact CD1-CD2 4.45Å; F69-L110 HydrophobicContact CD2-CD2 4.47Å; F69-L110 HydrophobicContact CG-CD2 4.19Å; F69-Y119 HydrophobicContact CE1-CD1 4.15Å; F69-Y119 HydrophobicContact CE1-CE1 4.09Å; F69-L121 HydrophobicContact CE1-CD2 4.32Å; F69-L121 HydrophobicContact CZ-CD2 3.91Å
70	Y	91.1	Very high	81.7	Confident	22 Å²	22	36.5 Å²	36.5	9%	0.086	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	155.4	-177.3	-51.6	-106.2	0	0	0	112.7	Q43 L61 T62 D64 S68 L86 R87 C88	Q43-Y70 PolarHBondContact N-OH 2.97Å; L61-Y70 WeakPolarHBondContact CA-O 3.35Å; T62-Y70 PolarHBondContact N-O 3.35Å; T62-Y70 PolarHBondContact O-N 2.88Å; T62-Y70 WeakPolarHBondContact OG1-CB 3.37Å; D64-Y70 WeakPolarHBondContact OD2-CE2 3.37Å; S68-Y70 VanDerWaalsContact CB-CE2 3.43Å; Y70-L86 HydrophobicContact CD1-CD1 4.09Å; Y70-L86 HydrophobicContact CD1-CD2 3.9Å; Y70-L86 HydrophobicContact CD1-CG 3.82Å; Y70-L86 HydrophobicContact CE1-CD2 4.2Å; Y70-L86 HydrophobicContact CG-CD1 4.09Å; Y70-L86 HydrophobicContact CG-CG 4.34Å; Y70-R87 CarbonylContact C-O 3.44Å; Y70-R87 VanDerWaalsContact CA-O 3.27Å; Y70-R87 WeakPolarHBondContact CA-O 3.39Å; Y70-C88 VanDerWaalsContact CD1-CA 3.47Å; Y70-C88 HydrophobicContact CD1-CB 3.58Å; Y70-C88 HydrophobicContact CE1-CB 3.53Å
71	E	91.3	Very high	79.7	Confident	17 Å²	17	46.6 Å²	46.6	8%	0.079	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	116	167.8	175.3	-176	-140.2	0	0	107.4	T59 L61 R87 H89	T59-E71 HydrophobicContact CG2-CG 3.38Å; L61-E71 HydrophobicContact CD2-CB 4.11Å; L61-E71 HydrophobicContact CD2-CG 4.31Å; E71-R87 HydrophobicContact CB-CB 4.44Å; E71-R87 PolarHBondContact N-O 3.35Å; E71-R87 PolarHBondContact O-N 3.01Å; E71-R87 IonicContact OE2-NH1 2.74Å; E71-H89 VanDerWaalsContact CB-CD2 3.43Å; E71-H89 WeakPolarHBondContact CB-CD2 3.32Å; E71-H89 WeakPolarHBondContact CB-NE2 3.48Å; E71-H89 IonicContact OE2-CD2 3.64Å; E71-H89 IonicContact OE2-CE1 3.2Å; E71-H89 PolarHBondContact OE2-CE1 2.75Å; E71-H89 IonicContact OE2-NE2 3.78Å; E71-H89 PolarHBondContact OE2-NE2 3.25Å
72	C	90.2	Very high	78.1	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	112.8	176.3	-172.3	0	0	0	0	109.9	I38 T59 V60 L86	I38-C72 HydrophobicContact CD1-CB 4.5Å; T59-C72 WeakPolarHBondContact CA-O 3.27Å; V60-C72 PolarHBondContact N-O 3.02Å; V60-C72 PolarHBondContact O-N 3.25Å; C72-L86 HydrophobicContact CB-CD1 3.94Å
73	T	88.1	Confident	76.8	Confident	53 Å²	53	65.6 Å²	65.6	33%	0.325	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	116.7	172.3	-46.6	0	0	0	0	109.8	S75 K85	T73-S75 PolarHBondContact O-N 3.03Å; T73-K85 PolarHBondContact N-O 3.5Å; T73-K85 PolarHBondContact O-N 2.98Å
74	I	85.6	Confident	76.2	Confident	11 Å²	11	67.6 Å²	67.6	6%	0.056	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-68.9	123.5	178.7	-58	160.7	0	0	0	109.1	I27 H36 I38 H58 V60	I27-I74 HydrophobicContact CD1-CD1 3.37Å; I27-I74 HydrophobicContact CD1-CG1 3.93Å; H36-I74 HydrophobicContact CB-CG2 4.47Å; I38-I74 HydrophobicContact CD1-CG1 4.43Å; H58-I74 VanDerWaalsContact O-CB 3.31Å; H58-I74 WeakPolarHBondContact O-CB 3.45Å; H58-I74 WeakPolarHBondContact O-CG1 3.28Å; H58-I74 PolarHBondContact O-N 2.77Å; V60-I74 HydrophobicContact CG2-CD1 3.86Å
75	S	76	Confident	75.8	Confident	26 Å²	26	74.6 Å²	74.6	18%	0.182	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-70	142.6	172.1	60.1	0	0	0	0	110.9	T73 D84	T73-S75 PolarHBondContact O-N 3.03Å; S75-D84 VanDerWaalsContact CB-OD1 3.24Å; S75-D84 WeakPolarHBondContact CB-OD1 3.39Å; S75-D84 PolarHBondContact N-OD1 2.96Å; S75-D84 PolarHBondContact OG-OD1 3.2Å
76	K	68.3	Low	75.7	Confident	101 Å²	101	77.4 Å²	77.4	44%	0.439	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-70.9	133.2	-178.5	-67.1	-165.2	178.2	-172.6	0	110.2	W78 L79	K76-W78 HydrophobicContact CB-CE3 4.01Å; K76-W78 HydrophobicContact CB-CZ3 4.07Å; K76-W78 HydrophobicContact CD-CE3 4.29Å; K76-W78 HydrophobicContact CD-CH2 3.6Å; K76-W78 HydrophobicContact CD-CZ2 4.49Å; K76-W78 HydrophobicContact CD-CZ3 3.48Å; K76-W78 VanDerWaalsContact CD-CZ3 3.48Å; K76-W78 HydrophobicContact CG-CZ3 4.39Å; K76-W78 PolarHBondContact O-N 3.02Å; K76-L79 PolarHBondContact O-N 3.19Å
77	P	56.7	Low	75.9	Confident	61 Å²	61	82.3 Å²	82.3	40%	0.396	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-23.1	-170.9	-31.4	35.8	0	0	0	117.2	Y35 L79 Q80	Y35-P77 HydrophobicContact CE2-CG 4.46Å; P77-L79 VanDerWaalsContact C-N 3.31Å; P77-Q80 WeakPolarHBondContact O-CG 3.27Å
78	W	58.1	Low	75.9	Confident	195 Å²	195	84.8 Å²	84.8	74%	0.739	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-9.8	177.4	87.6	80.4	0	0	0	114	K76	K76-W78 HydrophobicContact CB-CE3 4.01Å; K76-W78 HydrophobicContact CB-CZ3 4.07Å; K76-W78 HydrophobicContact CD-CE3 4.29Å; K76-W78 HydrophobicContact CD-CH2 3.6Å; K76-W78 HydrophobicContact CD-CZ2 4.49Å; K76-W78 HydrophobicContact CD-CZ3 3.48Å; K76-W78 VanDerWaalsContact CD-CZ3 3.48Å; K76-W78 HydrophobicContact CG-CZ3 4.39Å; K76-W78 PolarHBondContact O-N 3.02Å
79	L	54.1	Low	75.7	Confident	83 Å²	83	86 Å²	86	44%	0.435	39%	0.392	S	S	.	.			trans	-105.8	47.3	-177	-85.4	148	0	0	0	111.6	K76 P77 K81 R82	K76-L79 PolarHBondContact O-N 3.19Å; P77-L79 VanDerWaalsContact C-N 3.31Å; L79-K81 PolarHBondContact O-N 3.21Å; L79-R82 PolarHBondContact O-N 3.47Å; L79-R82 VanDerWaalsContact O-N 3.14Å
80	Q	52	Low	75.4	Confident	181 Å²	181	87 Å²	87	85%	0.846	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	7.3	-173.2	-61.7	-174.5	-31.4	0	0	117	P77	P77-Q80 WeakPolarHBondContact O-CG 3.27Å
81	K	49.3	Very low	75	Confident	212 Å²	212	90.2 Å²	90.2	92%	0.922	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-0.6	174.6	-72.1	-170.7	175.9	-177.2	0	114.5	L79	L79-K81 PolarHBondContact O-N 3.21Å
82	R	58.1	Low	73.8	Confident	197 Å²	197	91.2 Å²	91.2	74%	0.743	44%	0.439	S	S	*	.	S	Bend	trans	-107.7	126.6	172.1	-78.3	-174.6	171.5	176	-1.3	110.2	L79	L79-R82 PolarHBondContact O-N 3.47Å; L79-R82 VanDerWaalsContact O-N 3.14Å
83	K	67.3	Low	72.4	Confident	204 Å²	204	93.2 Å²	93.2	89%	0.887	45%	0.452	S	S	*	.			trans	-62.7	150	165.8	-65.7	-169.3	174.1	-168.4	0	109.8
84	D	79.6	Confident	71.3	Confident	42 Å²	42	96.9 Å²	96.9	23%	0.225	47%	0.47	C	S	.	.			trans	-58.6	147.3	171.2	-65.8	-38.8	0	0	0	110.9	H36 S75 L86	H36-D84 IonicContact CD2-OD2 3.92Å; H36-D84 IonicContact CE1-OD1 2.77Å; H36-D84 IonicContact CE1-OD2 3.9Å; H36-D84 IonicContact NE2-OD1 2.67Å; H36-D84 PolarHBondContact NE2-OD1 2.97Å; H36-D84 IonicContact NE2-OD2 2.98Å; H36-D84 PolarHBondContact NE2-OD2 3.27Å; S75-D84 VanDerWaalsContact CB-OD1 3.24Å; S75-D84 WeakPolarHBondContact CB-OD1 3.39Å; S75-D84 PolarHBondContact N-OD1 2.96Å; S75-D84 PolarHBondContact OG-OD1 3.2Å; D84-L86 PolarHBondContact O-N 3.19Å
85	K	82.6	Confident	70.4	Confident	146 Å²	146	97 Å²	97	64%	0.635	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	97.1	-177	-170.3	-178.6	179.6	-177.2	0	109.8	T73	T73-K85 PolarHBondContact N-O 3.5Å; T73-K85 PolarHBondContact O-N 2.98Å
86	L	87	Confident	70.6	Confident	63 Å²	63	97.1 Å²	97.1	33%	0.33	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	125.1	168.5	-167.8	70	0	0	0	110	Y70 C72 D84	Y70-L86 HydrophobicContact CD1-CD1 4.09Å; Y70-L86 HydrophobicContact CD1-CD2 3.9Å; Y70-L86 HydrophobicContact CD1-CG 3.82Å; Y70-L86 HydrophobicContact CE1-CD2 4.2Å; Y70-L86 HydrophobicContact CG-CD1 4.09Å; Y70-L86 HydrophobicContact CG-CG 4.34Å; C72-L86 HydrophobicContact CB-CD1 3.94Å; D84-L86 PolarHBondContact O-N 3.19Å
87	R	88.3	Confident	71.6	Confident	111 Å²	111	92.5 Å²	92.5	42%	0.419	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.7	173.2	178.4	-176.5	-178.7	-173.7	0.2	109.2	Y70 E71 H89	Y70-R87 CarbonylContact C-O 3.44Å; Y70-R87 VanDerWaalsContact CA-O 3.27Å; Y70-R87 WeakPolarHBondContact CA-O 3.39Å; E71-R87 HydrophobicContact CB-CB 4.44Å; E71-R87 PolarHBondContact N-O 3.35Å; E71-R87 PolarHBondContact O-N 3.01Å; E71-R87 IonicContact OE2-NH1 2.74Å; R87-H89 VanDerWaalsContact CZ-CE1 3.44Å; R87-H89 PolarHBondContact NE-CE1 3.49Å
88	C	88.6	Confident	73.1	Confident	53 Å²	53	89.9 Å²	89.9	36%	0.358	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	130.3	167.6	-165.4	0	0	0	0	109.7	Y70 V90	Y70-C88 VanDerWaalsContact CD1-CA 3.47Å; Y70-C88 HydrophobicContact CD1-CB 3.58Å; Y70-C88 HydrophobicContact CE1-CB 3.53Å; C88-V90 VanDerWaalsContact SG-C 3.51Å; C88-V90 PolarHBondContact SG-O 3.22Å
89	H	87	Confident	74.7	Confident	26 Å²	26	81 Å²	81	12%	0.12	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-34	173.2	-78.6	-74.1	0	0	0	111.7	F69 E71 R87 Y119	F69-H89 HydrophobicContact CD1-CB 3.56Å; F69-H89 HydrophobicContact CE1-CB 3.51Å; F69-H89 AromaticContact CE1-CD2 3.95Å; F69-H89 AromaticContact CE1-CG 3.95Å; F69-H89 PolarHBondContact O-N 3.14Å; E71-H89 VanDerWaalsContact CB-CD2 3.43Å; E71-H89 WeakPolarHBondContact CB-CD2 3.32Å; E71-H89 WeakPolarHBondContact CB-NE2 3.48Å; E71-H89 IonicContact OE2-CD2 3.64Å; E71-H89 IonicContact OE2-CE1 3.2Å; E71-H89 PolarHBondContact OE2-CE1 2.75Å; E71-H89 IonicContact OE2-NE2 3.78Å; E71-H89 PolarHBondContact OE2-NE2 3.25Å; R87-H89 VanDerWaalsContact CZ-CE1 3.44Å; R87-H89 PolarHBondContact NE-CE1 3.49Å; H89-Y119 HydrophobicContact CB-CE1 4.14Å; H89-Y119 AromaticContact ND1-CZ 3.92Å; H89-Y119 PolarHBondContact ND1-OH 3.46Å
90	V	84.3	Confident	76.5	Confident	22 Å²	22	77.1 Å²	77.1	13%	0.133	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	117.6	174	-179.1	0	0	0	0	107.9	S68 F69 C88 C93 L110 Y119	S68-V90 CarbonylContact C-O 3.57Å; S68-V90 WeakPolarHBondContact CA-O 3.33Å; F69-V90 HydrophobicContact CB-CB 4.24Å; F69-V90 HydrophobicContact CD1-CG2 4.27Å; F69-V90 PolarHBondContact N-O 3.5Å; F69-V90 PolarHBondContact O-N 2.89Å; C88-V90 VanDerWaalsContact SG-C 3.51Å; C88-V90 PolarHBondContact SG-O 3.22Å; V90-C93 HydrophobicContact CG1-CB 4.45Å; V90-C93 WeakPolarHBondContact CG1-SG 3.45Å; V90-L110 HydrophobicContact CG2-CD1 4.05Å; V90-Y119 HydrophobicContact CG2-CE2 4.42Å
91	S	81.7	Confident	78.3	Confident	89 Å²	89	71 Å²	71	62%	0.622	35%	0.352	S	S	*	.			trans	-105.5	129.5	177.3	-173.7	0	0	0	0	109.7	C93	S91-C93 PolarHBondContact O-N 3.06Å
92	G	66	Low	80	Confident	39 Å²	39	61.9 Å²	61.9	40%	0.402	31%	0.313	S	S	.	.			trans	51.7	54.8	162.9	0	0	0	0	0	115.6	S68 N94	S68-G92 PolarHBondContact OG-N 3.24Å; G92-N94 PolarHBondContact O-N 2.8Å
93	C	62.2	Low	81.3	Confident	42 Å²	42	52.5 Å²	52.5	28%	0.284	28%	0.278	S	S	.	.	S	Bend	trans	-67.8	65.5	170	-84.9	0	0	0	0	111.2	V90 S91 G95 E96 V97	V90-C93 HydrophobicContact CG1-CB 4.45Å; V90-C93 WeakPolarHBondContact CG1-SG 3.45Å; S91-C93 PolarHBondContact O-N 3.06Å; C93-G95 PolarHBondContact O-N 3.4Å; C93-E96 WeakPolarHBondContact O-CB 3.49Å; C93-E96 PolarHBondContact O-N 2.64Å; C93-V97 HydrophobicContact CB-CG2 3.93Å
94	N	64.9	Low	81.9	Confident	130 Å²	130	42.9 Å²	42.9	70%	0.695	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	15.8	-165.7	-61.7	-17.4	0	0	0	114.6	G92 E96	G92-N94 PolarHBondContact O-N 2.8Å; N94-E96 HydrophobicContact CB-CG 3.96Å; N94-E96 WeakPolarHBondContact CB-OE1 3.36Å; N94-E96 PolarHBondContact ND2-OE1 2.85Å
95	G	65.5	Low	81.8	Confident	13 Å²	13	41.7 Å²	41.7	13%	0.134	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	38.5	-168.4	0	0	0	0	0	113.7	G66 C93 S265 V268	G66-G95 VanDerWaalsContact O-CA 3.28Å; G66-G95 WeakPolarHBondContact O-CA 3.47Å; C93-G95 PolarHBondContact O-N 3.4Å; G95-S265 PolarHBondContact O-OG 3.5Å; G95-V268 WeakPolarHBondContact O-CG2 3.32Å
96	E	80.1	Confident	81.7	Confident	29 Å²	29	36.8 Å²	36.8	14%	0.136	21%	0.214	C	C	.	.			trans	-102.6	-12.9	-177.7	-65.8	172.3	-158.3	0	0	114.9	C93 N94 I98 S112 V113 H114	C93-E96 WeakPolarHBondContact O-CB 3.49Å; C93-E96 PolarHBondContact O-N 2.64Å; N94-E96 HydrophobicContact CB-CG 3.96Å; N94-E96 WeakPolarHBondContact CB-OE1 3.36Å; N94-E96 PolarHBondContact ND2-OE1 2.85Å; E96-I98 PolarHBondContact O-N 2.88Å; E96-S112 CarbonylContact O-C 3.48Å; E96-S112 WeakPolarHBondContact O-CA 3.03Å; E96-S112 PolarHBondContact OE2-OG 3.12Å; E96-V113 HydrophobicContact CB-CB 4.21Å; E96-V113 HydrophobicContact CB-CG2 4.29Å; E96-V113 HydrophobicContact CG-CB 4.39Å; E96-V113 WeakPolarHBondContact O-CG2 3.07Å; E96-V113 PolarHBondContact O-N 3.4Å; E96-H114 IonicContact OE1-CD2 2.72Å; E96-H114 IonicContact OE2-CD2 3.41Å; E96-H114 PolarHBondContact OE2-CD2 3.48Å; E96-H114 IonicContact OE2-CG 3.95Å
97	V	89.4	Confident	81.6	Confident	5 Å²	5	33.8 Å²	33.8	3%	0.03	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	118.8	-177.4	-174	0	0	0	0	109.7	L63 G67 C93 L110 L111	L63-V97 HydrophobicContact CD1-CB 4.16Å; L63-V97 HydrophobicContact CD1-CG1 3.68Å; L63-V97 HydrophobicContact CD2-CG1 4.13Å; G67-V97 WeakPolarHBondContact CA-O 3.32Å; C93-V97 HydrophobicContact CB-CG2 3.93Å; V97-L110 HydrophobicContact CG1-CB 4.18Å; V97-L110 HydrophobicContact CG1-CD2 4.45Å; V97-L111 WeakPolarHBondContact CA-O 3.46Å
98	I	89.1	Confident	81.7	Confident	6 Å²	6	28.5 Å²	28.5	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-16.3	-170.5	54.6	177.6	0	0	0	114	I49 E96 L111 V113 P141 L255 V268 V271 Y277	I49-I98 WeakPolarHBondContact CD1-O 3.21Å; E96-I98 PolarHBondContact O-N 2.88Å; I98-L111 WeakPolarHBondContact CG1-O 3.47Å; I98-L111 PolarHBondContact N-O 3.46Å; I98-V113 HydrophobicContact CG2-CG2 4.28Å; I98-P141 HydrophobicContact CD1-CG 4Å; I98-L255 HydrophobicContact CB-CD2 4.5Å; I98-V268 HydrophobicContact CG2-CB 4.33Å; I98-V268 HydrophobicContact CG2-CG1 4.01Å; I98-V268 HydrophobicContact CG2-CG2 3.54Å; I98-V271 HydrophobicContact CD1-CG1 3.76Å; I98-Y277 HydrophobicContact CB-CE2 4.35Å; I98-Y277 HydrophobicContact CD1-CE2 4.1Å; I98-Y277 WeakPolarHBondContact CD1-OH 3.32Å; I98-Y277 HydrophobicContact CG1-CE2 4.1Å
99	S	91.2	Very high	81.9	Confident	8 Å²	8	26 Å²	26	6%	0.056	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	154.4	176.9	-178.2	0	0	0	0	110.7	Q50 L111	Q50-S99 PolarHBondContact OE1-OG 3.33Å; S99-L111 WeakPolarHBondContact O-CD1 3.46Å; S99-L111 PolarHBondContact O-N 2.87Å
100	M	91.9	Very high	82.1	Confident	2 Å²	2	24.8 Å²	24.8	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142	172.2	57.4	170	172.9	0	0	110.4	Q50 I52 L61 L63 F69 I108 A109 L110	Q50-M100 HydrophobicContact CB-CE 4.06Å; Q50-M100 VanDerWaalsContact CD-O 3.31Å; Q50-M100 HydrophobicContact CG-CE 4.04Å; Q50-M100 HydrophobicContact CG-CG 4.27Å; Q50-M100 PolarHBondContact NE2-O 3.43Å; Q50-M100 WeakPolarHBondContact O-CE 3.43Å; Q50-M100 VanDerWaalsContact OE1-CG 3.28Å; Q50-M100 PolarHBondContact OE1-O 3.21Å; Q50-M100 VanDerWaalsContact OE1-O 3.12Å; I52-M100 HydrophobicContact CB-CE 4.35Å; I52-M100 HydrophobicContact CD1-CE 4.15Å; I52-M100 HydrophobicContact CD1-CG 3.88Å; I52-M100 HydrophobicContact CD1-SD 4.15Å; I52-M100 HydrophobicContact CG1-CE 4.06Å; L61-M100 HydrophobicContact CB-CE 4.2Å; L61-M100 HydrophobicContact CB-SD 4.34Å; L63-M100 HydrophobicContact CB-CE 3.94Å; L63-M100 HydrophobicContact CB-CG 4.35Å; L63-M100 HydrophobicContact CB-SD 4.25Å; L63-M100 HydrophobicContact CD2-CG 4.36Å; F69-M100 HydrophobicContact CD2-SD 3.94Å; F69-M100 HydrophobicContact CE2-SD 3.98Å; M100-I108 HydrophobicContact CB-CG2 3.98Å; M100-A109 CarbonylContact C-O 3.55Å; M100-A109 WeakPolarHBondContact CA-O 3.48Å; M100-L110 HydrophobicContact CB-CD2 3.81Å
101	K	89.5	Confident	82.4	Confident	53 Å²	53	23.9 Å²	23.9	23%	0.23	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.6	174	-163.6	159.7	-175.9	160.4	0	110	M103 I108 A109 C143 S144 F145	K101-M103 HydrophobicContact CB-SD 4.32Å; K101-M103 HydrophobicContact CG-SD 4.19Å; K101-M103 WeakPolarHBondContact O-CG 3.28Å; K101-I108 WeakPolarHBondContact O-CA 3.36Å; K101-A109 HydrophobicContact CB-CB 4.41Å; K101-A109 PolarHBondContact N-O 3.3Å; K101-A109 PolarHBondContact O-N 3.35Å; K101-C143 VanDerWaalsContact CD-O 3.26Å; K101-C143 WeakPolarHBondContact CD-O 3.44Å; K101-C143 PolarHBondContact NZ-O 3.11Å; K101-S144 PolarHBondContact NZ-OG 3.32Å; K101-F145 HydrophobicContact CD-CD1 4.49Å; K101-F145 HydrophobicContact CG-CE1 4.31Å
102	M	86.4	Confident	82.8	Confident	19 Å²	19	19.8 Å²	19.8	9%	0.094	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	130.1	172.7	-175.8	63.8	76.1	0	0	109.2	I52 L61 I108 L121 F145	I52-M102 HydrophobicContact CG2-CB 4.29Å; I52-M102 HydrophobicContact CG2-CE 4.25Å; L61-M102 HydrophobicContact CD1-CE 3.49Å; L61-M102 VanDerWaalsContact CD1-CE 3.49Å; M102-I108 HydrophobicContact CE-CG1 4.48Å; M102-I108 HydrophobicContact SD-CG1 4.36Å; M102-L121 HydrophobicContact CE-CD1 4.41Å; M102-F145 WeakPolarHBondContact O-CE1 3.24Å; M102-F145 WeakPolarHBondContact O-CZ 3.43Å
103	M	84.9	Confident	83.7	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	169.4	-176.7	-45	-73.2	-69.6	0	0	108.8	K101 G105 V107 A109 F118 F145 F169 V171	K101-M103 HydrophobicContact CB-SD 4.32Å; K101-M103 HydrophobicContact CG-SD 4.19Å; K101-M103 WeakPolarHBondContact O-CG 3.28Å; M103-G105 PolarHBondContact O-N 2.9Å; M103-V107 WeakPolarHBondContact CA-O 3.45Å; M103-V107 HydrophobicContact CB-CB 4.02Å; M103-V107 HydrophobicContact CB-CG1 4.1Å; M103-V107 WeakPolarHBondContact CB-O 3.5Å; M103-V107 HydrophobicContact CG-CG1 4.3Å; M103-V107 PolarHBondContact N-O 3.08Å; M103-A109 HydrophobicContact CG-CB 3.93Å; M103-A109 HydrophobicContact SD-CB 3.96Å; M103-F118 HydrophobicContact CE-CE1 4.29Å; M103-F145 HydrophobicContact CE-CB 3.53Å; M103-F145 HydrophobicContact CE-CD1 3.61Å; M103-F145 HydrophobicContact CE-CE1 4.47Å; M103-F145 HydrophobicContact CE-CG 3.69Å; M103-F145 HydrophobicContact SD-CB 4.43Å; M103-F145 HydrophobicContact SD-CD1 3.34Å; M103-F145 WeakPolarHBondContact SD-CD1 3.37Å; M103-F145 HydrophobicContact SD-CE1 3.74Å; M103-F145 HydrophobicContact SD-CG 4.05Å; M103-F169 HydrophobicContact CE-CE2 3.87Å; M103-V171 HydrophobicContact CE-CB 4.35Å; M103-V171 HydrophobicContact CE-CG1 3.98Å; M103-V171 HydrophobicContact CE-CG2 3.41Å; M103-V171 VanDerWaalsContact CE-CG2 3.41Å
104	P	79.6	Confident	84.6	Confident	2 Å²	2	19.3 Å²	19.3	1%	0.013	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	136.2	179.7	-20.1	32.3	0	0	0	112.2	F145 L147 L161 L166 F169	P104-F145 HydrophobicContact CG-CD2 4.3Å; P104-F145 HydrophobicContact CG-CE2 4.05Å; P104-L147 HydrophobicContact CB-CD2 4.11Å; P104-L147 HydrophobicContact CG-CD1 3.97Å; P104-L147 HydrophobicContact CG-CD2 3.43Å; P104-L147 VanDerWaalsContact CG-CD2 3.43Å; P104-L147 HydrophobicContact CG-CG 3.84Å; P104-L161 WeakPolarHBondContact CA-O 3.3Å; P104-L166 HydrophobicContact CB-CD2 3.94Å; P104-F169 HydrophobicContact CB-CD1 4.47Å; P104-F169 HydrophobicContact CB-CE1 4.34Å; P104-F169 HydrophobicContact CG-CD1 4.27Å; P104-F169 HydrophobicContact CG-CE1 4.35Å; P104-F169 HydrophobicContact CG-CG 4.39Å
105	G	76.7	Confident	85.7	Confident	17 Å²	17	19.5 Å²	19.5	18%	0.175	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	37.4	171.3	0	0	0	0	0	115.6	M103 V107 L161 L166	M103-G105 PolarHBondContact O-N 2.9Å; G105-V107 PolarHBondContact O-N 2.87Å; G105-V107 VanDerWaalsContact O-N 3.11Å; G105-L161 PolarHBondContact N-O 2.87Å; G105-L166 VanDerWaalsContact CA-CD2 3.45Å
106	D	80.3	Confident	86.8	Confident	43 Å²	43	18.9 Å²	18.9	23%	0.23	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	24.7	-176	-61.3	-14.1	0	0	0	113.4	L121 Y162	D106-L121 HydrophobicContact CB-CB 4.31Å; D106-L121 HydrophobicContact CB-CD1 4.41Å; D106-L121 PolarHBondContact O-N 3.32Å; D106-L121 VanDerWaalsContact O-N 3.08Å; D106-Y162 WeakPolarHBondContact OD1-CD1 3.35Å
107	V	86.4	Confident	87.2	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	130.6	172.8	176.2	0	0	0	0	108.8	M103 G105 F118 Y119 I120 L128 F189	M103-V107 WeakPolarHBondContact CA-O 3.45Å; M103-V107 HydrophobicContact CB-CB 4.02Å; M103-V107 HydrophobicContact CB-CG1 4.1Å; M103-V107 WeakPolarHBondContact CB-O 3.5Å; M103-V107 HydrophobicContact CG-CG1 4.3Å; M103-V107 PolarHBondContact N-O 3.08Å; G105-V107 PolarHBondContact O-N 2.87Å; G105-V107 VanDerWaalsContact O-N 3.11Å; V107-F118 HydrophobicContact CG1-CB 4.37Å; V107-F118 HydrophobicContact CG1-CD1 3.92Å; V107-Y119 CarbonylContact C-O 3.49Å; V107-Y119 WeakPolarHBondContact CA-O 3.32Å; V107-I120 HydrophobicContact CG2-CD1 4.33Å; V107-I120 HydrophobicContact CG2-CG1 3.73Å; V107-L128 HydrophobicContact CG1-CD1 4.14Å; V107-L128 HydrophobicContact CG2-CD1 3.81Å; V107-F189 HydrophobicContact CG2-CE2 3.63Å; V107-F189 HydrophobicContact CG2-CZ 4.03Å
108	I	90.1	Very high	87.2	Confident	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.4	172.8	-57.1	172.1	0	0	0	107.9	L61 F69 M100 K101 M102 L110 F118 Y119 L121	L61-I108 HydrophobicContact CD1-CD1 3.61Å; L61-I108 HydrophobicContact CD1-CG1 4.39Å; F69-I108 HydrophobicContact CE1-CD1 3.91Å; F69-I108 HydrophobicContact CE2-CD1 3.89Å; F69-I108 HydrophobicContact CZ-CD1 3.26Å; M100-I108 HydrophobicContact CB-CG2 3.98Å; K101-I108 WeakPolarHBondContact O-CA 3.36Å; M102-I108 HydrophobicContact CE-CG1 4.48Å; M102-I108 HydrophobicContact SD-CG1 4.36Å; I108-L110 HydrophobicContact CG2-CD2 3.61Å; I108-L110 HydrophobicContact CG2-CG 4.02Å; I108-F118 CarbonylContact O-C 3.53Å; I108-F118 WeakPolarHBondContact O-CA 3.25Å; I108-Y119 PolarHBondContact N-O 3.31Å; I108-Y119 PolarHBondContact O-N 3.04Å; I108-L121 HydrophobicContact CD1-CD1 4.04Å; I108-L121 HydrophobicContact CD1-CD2 3.64Å; I108-L121 HydrophobicContact CD1-CG 3.73Å; I108-L121 HydrophobicContact CG1-CG 4.35Å
109	A	91.6	Very high	87.2	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	107	166.1	0	0	0	0	0	108.1	M100 K101 M103 L111 L116 F118	M100-A109 CarbonylContact C-O 3.55Å; M100-A109 WeakPolarHBondContact CA-O 3.48Å; K101-A109 HydrophobicContact CB-CB 4.41Å; K101-A109 PolarHBondContact N-O 3.3Å; K101-A109 PolarHBondContact O-N 3.35Å; M103-A109 HydrophobicContact CG-CB 3.93Å; M103-A109 HydrophobicContact SD-CB 3.96Å; A109-L111 WeakPolarHBondContact O-CD1 3.37Å; A109-L116 HydrophobicContact CB-CD1 4.21Å; A109-F118 HydrophobicContact CB-CD1 4.09Å; A109-F118 HydrophobicContact CB-CE1 3.92Å
110	L	92.3	Very high	87	Confident	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	117.7	174.9	-59.9	173.1	0	0	0	108.9	F69 V90 V97 M100 I108 L116 I117	F69-L110 HydrophobicContact CB-CD2 4.43Å; F69-L110 HydrophobicContact CD1-CD1 4.42Å; F69-L110 HydrophobicContact CD1-CD2 4.45Å; F69-L110 HydrophobicContact CD2-CD2 4.47Å; F69-L110 HydrophobicContact CG-CD2 4.19Å; V90-L110 HydrophobicContact CG2-CD1 4.05Å; V97-L110 HydrophobicContact CG1-CB 4.18Å; V97-L110 HydrophobicContact CG1-CD2 4.45Å; M100-L110 HydrophobicContact CB-CD2 3.81Å; I108-L110 HydrophobicContact CG2-CD2 3.61Å; I108-L110 HydrophobicContact CG2-CG 4.02Å; L110-L116 WeakPolarHBondContact O-CA 3.14Å; L110-L116 WeakPolarHBondContact O-CD1 3.47Å; L110-I117 HydrophobicContact CB-CB 4.27Å; L110-I117 PolarHBondContact N-O 3.14Å; L110-I117 PolarHBondContact O-N 2.8Å
111	L	91.5	Very high	86.5	Confident	2 Å²	2	18.6 Å²	18.6	1%	0.01	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	110.9	-179.5	-59.3	89	0	0	0	109	V97 I98 S99 A109 L116 P141 C143	V97-L111 WeakPolarHBondContact CA-O 3.46Å; I98-L111 WeakPolarHBondContact CG1-O 3.47Å; I98-L111 PolarHBondContact N-O 3.46Å; S99-L111 WeakPolarHBondContact O-CD1 3.46Å; S99-L111 PolarHBondContact O-N 2.87Å; A109-L111 WeakPolarHBondContact O-CD1 3.37Å; L111-L116 HydrophobicContact CB-CD1 4.36Å; L111-L116 HydrophobicContact CD1-CD1 4.39Å; L111-L116 HydrophobicContact CG-CD1 3.69Å; L111-P141 HydrophobicContact CB-CG 4.39Å; L111-P141 HydrophobicContact CD2-CB 4.44Å; L111-P141 WeakPolarHBondContact CD2-O 3.27Å; L111-C143 HydrophobicContact CD2-CB 4.03Å
112	S	88.9	Confident	85.7	Confident	4 Å²	4	21.1 Å²	21.1	3%	0.028	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	158.6	170.5	113.2	0	0	0	0	112.2	E96 H114 R115	E96-S112 CarbonylContact O-C 3.48Å; E96-S112 WeakPolarHBondContact O-CA 3.03Å; E96-S112 PolarHBondContact OE2-OG 3.12Å; S112-H114 PolarHBondContact O-N 2.85Å; S112-H114 PolarHBondContact OG-N 2.85Å; S112-H114 VanDerWaalsContact OG-N 3.11Å; S112-R115 WeakPolarHBondContact CA-O 3.35Å; S112-R115 WeakPolarHBondContact CB-O 3.38Å; S112-R115 PolarHBondContact N-O 3.43Å; S112-R115 PolarHBondContact O-N 3.38Å; S112-R115 PolarHBondContact OG-N 2.95Å; S112-R115 VanDerWaalsContact OG-N 3.08Å; S112-R115 PolarHBondContact OG-O 2.82Å
113	V	84.9	Confident	84.2	Confident	4 Å²	4	25.5 Å²	25.5	2%	0.024	13%	0.129	C	C	.	.	S	Bend	trans	-54.3	-17.3	174.9	-175.6	0	0	0	0	113.4	E96 I98 R175 A267 V268 V271	E96-V113 HydrophobicContact CB-CB 4.21Å; E96-V113 HydrophobicContact CB-CG2 4.29Å; E96-V113 HydrophobicContact CG-CB 4.39Å; E96-V113 WeakPolarHBondContact O-CG2 3.07Å; E96-V113 PolarHBondContact O-N 3.4Å; I98-V113 HydrophobicContact CG2-CG2 4.28Å; V113-R175 VanDerWaalsContact O-CZ 3.24Å; V113-R175 PolarHBondContact O-NH1 3.34Å; V113-R175 PolarHBondContact O-NH2 3.12Å; V113-A267 HydrophobicContact CB-CB 4.41Å; V113-A267 HydrophobicContact CG1-CB 4.08Å; V113-A267 HydrophobicContact CG2-CB 4.32Å; V113-V268 HydrophobicContact CG2-CG2 4.11Å; V113-V271 HydrophobicContact CG1-CG2 4.11Å; V113-V271 HydrophobicContact CG2-CG2 4.35Å
114	H	82.1	Confident	83.1	Confident	67 Å²	67	36.1 Å²	36.1	31%	0.31	17%	0.169	S	C	.	.	S	Bend	trans	-126.6	-14.2	176.3	-65.8	-87.5	0	0	0	114.9	E96 S112 I133 Y137	E96-H114 IonicContact OE1-CD2 2.72Å; E96-H114 IonicContact OE2-CD2 3.41Å; E96-H114 PolarHBondContact OE2-CD2 3.48Å; E96-H114 IonicContact OE2-CG 3.95Å; S112-H114 PolarHBondContact O-N 2.85Å; S112-H114 PolarHBondContact OG-N 2.85Å; S112-H114 VanDerWaalsContact OG-N 3.11Å; H114-I133 PolarHBondContact O-N 3.28Å; H114-Y137 AromaticContact CE1-CD1 3.79Å; H114-Y137 AromaticContact CE1-CE1 3.38Å; H114-Y137 WeakPolarHBondContact CE1-CE1 3.33Å; H114-Y137 AromaticContact CE1-CZ 4Å; H114-Y137 AromaticContact ND1-CE1 3.27Å; H114-Y137 VanDerWaalsContact ND1-CE1 3.27Å; H114-Y137 WeakPolarHBondContact ND1-CE1 3.29Å; H114-Y137 AromaticContact ND1-CZ 3.85Å
115	R	86.4	Confident	82.8	Confident	133 Å²	133	37 Å²	37	50%	0.502	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	141.2	-166.9	-58	177.6	-175.6	-170.5	1.4	111.9	S112 I117 I130 F131	S112-R115 WeakPolarHBondContact CA-O 3.35Å; S112-R115 WeakPolarHBondContact CB-O 3.38Å; S112-R115 PolarHBondContact N-O 3.43Å; S112-R115 PolarHBondContact O-N 3.38Å; S112-R115 PolarHBondContact OG-N 2.95Å; S112-R115 VanDerWaalsContact OG-N 3.08Å; S112-R115 PolarHBondContact OG-O 2.82Å; R115-I117 HydrophobicContact CB-CG1 4.43Å; R115-I130 HydrophobicContact CB-CG2 4.01Å; R115-I130 HydrophobicContact CG-CG2 4.17Å; R115-F131 CarbonylContact C-O 3.59Å; R115-F131 WeakPolarHBondContact CA-O 3.33Å
116	L	88.9	Confident	83	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.8	158.7	-170.1	78.1	0	0	0	108.8	A109 L110 L111 F118 I130 F131 I133 I173	A109-L116 HydrophobicContact CB-CD1 4.21Å; L110-L116 WeakPolarHBondContact O-CA 3.14Å; L110-L116 WeakPolarHBondContact O-CD1 3.47Å; L111-L116 HydrophobicContact CB-CD1 4.36Å; L111-L116 HydrophobicContact CD1-CD1 4.39Å; L111-L116 HydrophobicContact CG-CD1 3.69Å; L116-F118 HydrophobicContact CD2-CD2 4.28Å; L116-F118 HydrophobicContact CD2-CE1 4.03Å; L116-F118 HydrophobicContact CD2-CE2 3.56Å; L116-F118 HydrophobicContact CD2-CZ 3.41Å; L116-F118 VanDerWaalsContact CD2-CZ 3.41Å; L116-F118 HydrophobicContact CG-CE2 4.48Å; L116-I130 CarbonylContact O-C 3.57Å; L116-I130 WeakPolarHBondContact O-CA 3.28Å; L116-F131 HydrophobicContact CB-CB 4.35Å; L116-F131 PolarHBondContact N-O 3.08Å; L116-F131 PolarHBondContact O-N 3.49Å; L116-I133 HydrophobicContact CB-CD1 4.16Å; L116-I173 HydrophobicContact CB-CD1 4.17Å; L116-I173 HydrophobicContact CD2-CD1 3.37Å; L116-I173 HydrophobicContact CD2-CG1 3.86Å; L116-I173 HydrophobicContact CG-CD1 4.34Å
117	I	89.6	Confident	83.3	Confident	17 Å²	17	42.1 Å²	42.1	9%	0.087	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.9	177.3	-54.6	171.8	0	0	0	108.1	L110 R115 I127 I130	L110-I117 HydrophobicContact CB-CB 4.27Å; L110-I117 PolarHBondContact N-O 3.14Å; L110-I117 PolarHBondContact O-N 2.8Å; R115-I117 HydrophobicContact CB-CG1 4.43Å; I117-I127 HydrophobicContact CG2-CD1 4.47Å; I117-I127 HydrophobicContact CG2-CG1 4.11Å; I117-I127 HydrophobicContact CG2-CG2 4Å; I117-I130 HydrophobicContact CG1-CG1 4.31Å; I117-I130 HydrophobicContact CG1-CG2 4.36Å; I117-I130 HydrophobicContact CG2-CG1 4.36Å
118	F	89.1	Confident	83	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.3	168.8	-69.4	-77.3	0	0	0	109.5	M103 V107 I108 A109 L116 I127 L128 G129 F131 V171 L182 I184	M103-F118 HydrophobicContact CE-CE1 4.29Å; V107-F118 HydrophobicContact CG1-CB 4.37Å; V107-F118 HydrophobicContact CG1-CD1 3.92Å; I108-F118 CarbonylContact O-C 3.53Å; I108-F118 WeakPolarHBondContact O-CA 3.25Å; A109-F118 HydrophobicContact CB-CD1 4.09Å; A109-F118 HydrophobicContact CB-CE1 3.92Å; L116-F118 HydrophobicContact CD2-CD2 4.28Å; L116-F118 HydrophobicContact CD2-CE1 4.03Å; L116-F118 HydrophobicContact CD2-CE2 3.56Å; L116-F118 HydrophobicContact CD2-CZ 3.41Å; L116-F118 VanDerWaalsContact CD2-CZ 3.41Å; L116-F118 HydrophobicContact CG-CE2 4.48Å; F118-I127 CarbonylContact O-C 3.48Å; F118-I127 WeakPolarHBondContact O-CA 3.33Å; F118-L128 HydrophobicContact CB-CB 3.96Å; F118-L128 HydrophobicContact CB-CD1 4.37Å; F118-L128 PolarHBondContact O-N 3Å; F118-G129 PolarHBondContact N-O 3.21Å; F118-F131 AromaticContact CD2-CD2 3.65Å; F118-F131 HydrophobicContact CD2-CD2 3.65Å; F118-F131 AromaticContact CD2-CE2 3.56Å; F118-F131 HydrophobicContact CD2-CE2 3.56Å; F118-F131 AromaticContact CE2-CD2 3.66Å; F118-F131 HydrophobicContact CE2-CD2 3.66Å; F118-F131 AromaticContact CE2-CE2 3.74Å; F118-F131 HydrophobicContact CE2-CE2 3.74Å; F118-V171 HydrophobicContact CZ-CG1 4.19Å; F118-V171 HydrophobicContact CZ-CG2 4.46Å; F118-L182 HydrophobicContact CE2-CD1 4.26Å; F118-L182 HydrophobicContact CZ-CD1 4.47Å; F118-I184 HydrophobicContact CE1-CD1 4.46Å; F118-I184 HydrophobicContact CE2-CD1 3.93Å; F118-I184 HydrophobicContact CZ-CD1 3.85Å
119	Y	88.7	Confident	82.7	Confident	13 Å²	13	43.8 Å²	43.8	5%	0.051	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126.4	-172.6	-174.7	-90.8	0	0	0	110.9	F69 H89 V90 V107 I108 L121 G125 I127	F69-Y119 HydrophobicContact CE1-CD1 4.15Å; F69-Y119 HydrophobicContact CE1-CE1 4.09Å; H89-Y119 HydrophobicContact CB-CE1 4.14Å; H89-Y119 AromaticContact ND1-CZ 3.92Å; H89-Y119 PolarHBondContact ND1-OH 3.46Å; V90-Y119 HydrophobicContact CG2-CE2 4.42Å; V107-Y119 CarbonylContact C-O 3.49Å; V107-Y119 WeakPolarHBondContact CA-O 3.32Å; I108-Y119 PolarHBondContact N-O 3.31Å; I108-Y119 PolarHBondContact O-N 3.04Å; Y119-L121 HydrophobicContact CE1-CD2 4.41Å; Y119-G125 WeakPolarHBondContact OH-CA 3.26Å; Y119-G125 PolarHBondContact OH-O 3.02Å; Y119-I127 HydrophobicContact CD2-CG1 4.03Å
120	I	86.5	Confident	82.4	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.2	173	-76.7	175.5	0	0	0	109.8	V107 K122 G125 Q126 L128 F189 F190	V107-I120 HydrophobicContact CG2-CD1 4.33Å; V107-I120 HydrophobicContact CG2-CG1 3.73Å; I120-K122 WeakPolarHBondContact CG2-O 3.18Å; I120-G125 CarbonylContact O-C 3.56Å; I120-G125 WeakPolarHBondContact O-CA 3.48Å; I120-Q126 PolarHBondContact N-O 3.39Å; I120-Q126 PolarHBondContact O-N 3.14Å; I120-L128 HydrophobicContact CD1-CD1 3.77Å; I120-L128 HydrophobicContact CD1-CD2 3.57Å; I120-L128 HydrophobicContact CD1-CG 3.68Å; I120-L128 HydrophobicContact CG1-CD1 3.8Å; I120-L128 HydrophobicContact CG1-CD2 4.3Å; I120-L128 HydrophobicContact CG1-CG 3.84Å; I120-F189 HydrophobicContact CD1-CB 4.41Å; I120-F189 HydrophobicContact CD1-CD2 3.84Å; I120-F189 HydrophobicContact CD1-CE2 4.44Å; I120-F189 HydrophobicContact CD1-CG 4.34Å; I120-F190 HydrophobicContact CD1-CE1 4.24Å; I120-F190 HydrophobicContact CD1-CZ 3.91Å
121	L	81.7	Confident	82	Confident	7 Å²	7	49.9 Å²	49.9	4%	0.037	24%	0.241	C	C	.	.			trans	-64.5	-51.7	175.9	-70.1	168.9	0	0	0	113.4	L61 F69 M102 D106 I108 Y119 G125	L61-L121 HydrophobicContact CD1-CD1 4.19Å; L61-L121 HydrophobicContact CD2-CD1 4.45Å; L61-L121 HydrophobicContact CD2-CD2 4.09Å; F69-L121 HydrophobicContact CE1-CD2 4.32Å; F69-L121 HydrophobicContact CZ-CD2 3.91Å; M102-L121 HydrophobicContact CE-CD1 4.41Å; D106-L121 HydrophobicContact CB-CB 4.31Å; D106-L121 HydrophobicContact CB-CD1 4.41Å; D106-L121 PolarHBondContact O-N 3.32Å; D106-L121 VanDerWaalsContact O-N 3.08Å; I108-L121 HydrophobicContact CD1-CD1 4.04Å; I108-L121 HydrophobicContact CD1-CD2 3.64Å; I108-L121 HydrophobicContact CD1-CG 3.73Å; I108-L121 HydrophobicContact CG1-CG 4.35Å; Y119-L121 HydrophobicContact CE1-CD2 4.41Å; L121-G125 PolarHBondContact O-N 2.94Å
122	K	73.3	Confident	81.5	Confident	105 Å²	105	53.9 Å²	53.9	46%	0.457	27%	0.267	S	S	.	.	S	Bend	trans	-125	138	-169.8	-68.5	174.3	-176.7	167	0	110.4	I120	I120-K122 WeakPolarHBondContact CG2-O 3.18Å
123	P	55.4	Low	81	Confident	112 Å²	112	53.9 Å²	53.9	73%	0.727	27%	0.267	S	S	*	.	S	Bend	cis	-94.6	-10.6	17.6	34.8	-36.3	0	0	0	116.2
124	R	60.9	Low	80.2	Confident	223 Å²	223	61.5 Å²	61.5	84%	0.842	30%	0.3	S	S	*	.	S	Bend	trans	-134.1	2.1	-170.9	-77.3	-171.8	174.8	169.6	-1	117
125	G	74.4	Confident	79.5	Confident	21 Å²	21	60.6 Å²	60.6	22%	0.216	30%	0.295	C	S	.	.			trans	70.8	72.3	-177.1	0	0	0	0	0	112	Y119 I120 L121	Y119-G125 WeakPolarHBondContact OH-CA 3.26Å; Y119-G125 PolarHBondContact OH-O 3.02Å; I120-G125 CarbonylContact O-C 3.56Å; I120-G125 WeakPolarHBondContact O-CA 3.48Å; L121-G125 PolarHBondContact O-N 2.94Å
126	Q	80.3	Confident	78.9	Confident	85 Å²	85	57.9 Å²	57.9	40%	0.397	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.1	-169.2	-172.6	174	10.8	0	0	112.7	I120 L128	I120-Q126 PolarHBondContact N-O 3.39Å; I120-Q126 PolarHBondContact O-N 3.14Å; Q126-L128 PolarHBondContact O-N 2.77Å
127	I	85.7	Confident	78.3	Confident	82 Å²	82	63.6 Å²	63.6	42%	0.421	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	117.2	168.4	-63.3	166.9	0	0	0	109	I117 F118 Y119 I130	I117-I127 HydrophobicContact CG2-CD1 4.47Å; I117-I127 HydrophobicContact CG2-CG1 4.11Å; I117-I127 HydrophobicContact CG2-CG2 4Å; F118-I127 CarbonylContact O-C 3.48Å; F118-I127 WeakPolarHBondContact O-CA 3.33Å; Y119-I127 HydrophobicContact CD2-CG1 4.03Å; I127-I130 HydrophobicContact CG2-CD1 4.34Å; I127-I130 HydrophobicContact CG2-CG1 3.82Å
128	L	80.7	Confident	78	Confident	14 Å²	14	67.9 Å²	67.9	7%	0.073	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	-41.4	173.5	-81.5	177.9	0	0	0	111.8	V107 F118 I120 Q126 F189 R195	V107-L128 HydrophobicContact CG1-CD1 4.14Å; V107-L128 HydrophobicContact CG2-CD1 3.81Å; F118-L128 HydrophobicContact CB-CB 3.96Å; F118-L128 HydrophobicContact CB-CD1 4.37Å; F118-L128 PolarHBondContact O-N 3Å; I120-L128 HydrophobicContact CD1-CD1 3.77Å; I120-L128 HydrophobicContact CD1-CD2 3.57Å; I120-L128 HydrophobicContact CD1-CG 3.68Å; I120-L128 HydrophobicContact CG1-CD1 3.8Å; I120-L128 HydrophobicContact CG1-CD2 4.3Å; I120-L128 HydrophobicContact CG1-CG 3.84Å; Q126-L128 PolarHBondContact O-N 2.77Å; L128-F189 HydrophobicContact CD1-CD1 3.94Å; L128-F189 HydrophobicContact CD1-CD2 4.13Å; L128-F189 HydrophobicContact CD1-CE1 3.75Å; L128-F189 HydrophobicContact CD1-CE2 3.97Å; L128-F189 HydrophobicContact CD1-CG 4.11Å; L128-F189 HydrophobicContact CD1-CZ 3.77Å; L128-F189 HydrophobicContact CD2-CB 3.73Å; L128-F189 HydrophobicContact CD2-CD1 3.78Å; L128-F189 HydrophobicContact CD2-CD2 4.29Å; L128-F189 HydrophobicContact CD2-CE1 4.43Å; L128-F189 HydrophobicContact CD2-CG 3.67Å; L128-R195 VanDerWaalsContact O-CD 3.3Å; L128-R195 WeakPolarHBondContact O-CD 3.39Å; L128-R195 PolarHBondContact O-NH1 2.84Å
129	G	82.9	Confident	78	Confident	21 Å²	21	68.6 Å²	68.6	22%	0.216	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	159.6	-178.7	0	0	0	0	0	112	F118	F118-G129 PolarHBondContact N-O 3.21Å
130	I	86.2	Confident	78	Confident	81 Å²	81	68 Å²	68	42%	0.415	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127	179.7	-58	-179.4	0	0	0	107.6	R115 L116 I117 I127	R115-I130 HydrophobicContact CB-CG2 4.01Å; R115-I130 HydrophobicContact CG-CG2 4.17Å; L116-I130 CarbonylContact O-C 3.57Å; L116-I130 WeakPolarHBondContact O-CA 3.28Å; I117-I130 HydrophobicContact CG1-CG1 4.31Å; I117-I130 HydrophobicContact CG1-CG2 4.36Å; I117-I130 HydrophobicContact CG2-CG1 4.36Å; I127-I130 HydrophobicContact CG2-CD1 4.34Å; I127-I130 HydrophobicContact CG2-CG1 3.82Å
131	F	83.9	Confident	78.3	Confident	49 Å²	49	67.8 Å²	67.8	22%	0.215	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.4	-178.7	-65	-91.2	0	0	0	108.6	R115 L116 F118 L182 A196	R115-F131 CarbonylContact C-O 3.59Å; R115-F131 WeakPolarHBondContact CA-O 3.33Å; L116-F131 HydrophobicContact CB-CB 4.35Å; L116-F131 PolarHBondContact N-O 3.08Å; L116-F131 PolarHBondContact O-N 3.49Å; F118-F131 AromaticContact CD2-CD2 3.65Å; F118-F131 HydrophobicContact CD2-CD2 3.65Å; F118-F131 AromaticContact CD2-CE2 3.56Å; F118-F131 HydrophobicContact CD2-CE2 3.56Å; F118-F131 AromaticContact CE2-CD2 3.66Å; F118-F131 HydrophobicContact CE2-CD2 3.66Å; F118-F131 AromaticContact CE2-CE2 3.74Å; F118-F131 HydrophobicContact CE2-CE2 3.74Å; F131-L182 HydrophobicContact CD1-CD1 4.3Å; F131-L182 HydrophobicContact CD1-CD2 4.07Å; F131-L182 HydrophobicContact CE1-CD2 3.99Å; F131-L182 HydrophobicContact CG-CD1 4.43Å; F131-A196 HydrophobicContact CE1-CB 4.12Å; F131-A196 HydrophobicContact CE2-CB 4.5Å; F131-A196 HydrophobicContact CZ-CB 3.62Å
132	P	81.3	Confident	78.8	Confident	85 Å²	85	67.5 Å²	67.5	55%	0.552	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	132	-178.3	30.1	-34.5	0	0	0	110.5	K134	P132-K134 HydrophobicContact CB-CG 4.14Å; P132-K134 PolarHBondContact O-N 3.1Å
133	I	77.9	Confident	79.6	Confident	5 Å²	5	62.9 Å²	62.9	3%	0.026	31%	0.309	C	S	.	.			trans	-102.1	77.2	176.6	-45.7	178.7	0	0	0	107.6	H114 L116 F135 P141 I173 R175	H114-I133 PolarHBondContact O-N 3.28Å; L116-I133 HydrophobicContact CB-CD1 4.16Å; I133-F135 HydrophobicContact CG2-CD2 3.88Å; I133-F135 PolarHBondContact O-N 2.85Å; I133-P141 HydrophobicContact CD1-CB 3.6Å; I133-P141 HydrophobicContact CD1-CG 4.27Å; I133-I173 HydrophobicContact CD1-CG2 4.35Å; I133-R175 HydrophobicContact CG2-CB 3.77Å; I133-R175 HydrophobicContact CG2-CG 4.36Å; I133-R175 PolarHBondContact O-NH1 3.21Å
134	K	68.5	Low	81.3	Confident	163 Å²	163	57.6 Å²	57.6	71%	0.709	28%	0.275	S	S	*	.			trans	-77.5	26.9	-175.4	-59.8	-169.6	176.4	-173.4	0	113.9	P132	P132-K134 HydrophobicContact CB-CG 4.14Å; P132-K134 PolarHBondContact O-N 3.1Å
135	F	66.8	Low	82.7	Confident	48 Å²	48	47.5 Å²	47.5	21%	0.211	24%	0.237	C	C	.	.	S	Bend	trans	-112.9	162.1	-170.3	-46	-50.6	0	0	0	110.9	I133 Y137 R175 K178	I133-F135 HydrophobicContact CG2-CD2 3.88Å; I133-F135 PolarHBondContact O-N 2.85Å; F135-Y137 PolarHBondContact O-N 3.32Å; F135-R175 HydrophobicContact CB-CB 4.23Å; F135-R175 WeakPolarHBondContact O-CD 3.39Å; F135-R175 PolarHBondContact O-NH1 2.95Å; F135-K178 HydrophobicContact CB-CB 4.25Å; F135-K178 HydrophobicContact CB-CD 4.5Å; F135-K178 HydrophobicContact CD1-CB 3.97Å; F135-K178 HydrophobicContact CD1-CD 3.45Å; F135-K178 VanDerWaalsContact CD1-CD 3.45Å; F135-K178 HydrophobicContact CD1-CG 4.23Å; F135-K178 HydrophobicContact CD2-CB 3.91Å; F135-K178 HydrophobicContact CE1-CB 4.29Å; F135-K178 HydrophobicContact CE1-CD 3.84Å; F135-K178 HydrophobicContact CE2-CB 4.25Å; F135-K178 HydrophobicContact CG-CB 3.77Å; F135-K178 HydrophobicContact CG-CD 4.07Å; F135-K178 HydrophobicContact CG-CG 4.48Å; F135-K178 HydrophobicContact CZ-CB 4.43Å
136	E	75	Confident	83	Confident	77 Å²	77	47.3 Å²	47.3	36%	0.36	23%	0.23	S	C	.	.			trans	-25	113.6	-175.2	-171.8	174.4	-146.8	0	0	115.1	Q138 F139 R175 G176 S207	E136-Q138 VanDerWaalsContact C-N 3.31Å; E136-Q138 HydrophobicContact CG-CB 4.48Å; E136-Q138 PolarHBondContact O-N 2.97Å; E136-F139 VanDerWaalsContact CD-CD2 3.49Å; E136-F139 HydrophobicContact CG-CD2 3.97Å; E136-F139 HydrophobicContact CG-CE2 4.39Å; E136-F139 WeakPolarHBondContact OE2-CD2 3.47Å; E136-F139 WeakPolarHBondContact OE2-CE2 3.25Å; E136-R175 WeakPolarHBondContact O-CD 3.49Å; E136-R175 PolarHBondContact O-NE 3.46Å; E136-G176 WeakPolarHBondContact OE2-CA 3.29Å; E136-S207 PolarHBondContact OE2-OG 3.07Å
137	Y	74.8	Confident	82.6	Confident	119 Å²	119	45.9 Å²	45.9	47%	0.467	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-18.3	-168.4	-69.3	-68.6	0	0	0	114.8	H114 F135 R175 V271	H114-Y137 AromaticContact CE1-CD1 3.79Å; H114-Y137 AromaticContact CE1-CE1 3.38Å; H114-Y137 WeakPolarHBondContact CE1-CE1 3.33Å; H114-Y137 AromaticContact CE1-CZ 4Å; H114-Y137 AromaticContact ND1-CE1 3.27Å; H114-Y137 VanDerWaalsContact ND1-CE1 3.27Å; H114-Y137 WeakPolarHBondContact ND1-CE1 3.29Å; H114-Y137 AromaticContact ND1-CZ 3.85Å; F135-Y137 PolarHBondContact O-N 3.32Å; Y137-R175 VanDerWaalsContact CD1-NH1 3.3Å; Y137-R175 PolarHBondContact O-NH2 2.86Å; Y137-V271 WeakPolarHBondContact O-CG2 3.44Å
138	Q	83.5	Confident	81.5	Confident	108 Å²	108	42.9 Å²	42.9	51%	0.505	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-36.5	-179.1	-173.7	171.3	8.5	0	0	113	E136 F274	E136-Q138 VanDerWaalsContact C-N 3.31Å; E136-Q138 HydrophobicContact CG-CB 4.48Å; E136-Q138 PolarHBondContact O-N 2.97Å; Q138-F274 HydrophobicContact CG-CD2 4.24Å; Q138-F274 HydrophobicContact CG-CE2 3.81Å
139	F	88.9	Confident	80.3	Confident	19 Å²	19	47.2 Å²	47.2	8%	0.083	24%	0.241	C	C	.	.	S	Bend	trans	-97	148.9	-176.6	-62.3	-79.4	0	0	0	112.5	E136 R175 V209 F274	E136-F139 VanDerWaalsContact CD-CD2 3.49Å; E136-F139 HydrophobicContact CG-CD2 3.97Å; E136-F139 HydrophobicContact CG-CE2 4.39Å; E136-F139 WeakPolarHBondContact OE2-CD2 3.47Å; E136-F139 WeakPolarHBondContact OE2-CE2 3.25Å; F139-R175 WeakPolarHBondContact O-CG 3.3Å; F139-R175 PolarHBondContact O-NE 3.35Å; F139-V209 HydrophobicContact CD1-CG1 4.09Å; F139-F274 HydrophobicContact CD1-CB 4.17Å; F139-F274 HydrophobicContact CD1-CD1 4.32Å; F139-F274 HydrophobicContact CD1-CD2 4.21Å; F139-F274 AromaticContact CD1-CG 3.97Å; F139-F274 HydrophobicContact CD1-CG 3.97Å; F139-F274 HydrophobicContact CE1-CD1 4.05Å; F139-F274 HydrophobicContact CE1-CD2 4.28Å; F139-F274 HydrophobicContact CE1-CE1 4.21Å; F139-F274 HydrophobicContact CE1-CE2 4.44Å; F139-F274 HydrophobicContact CE1-CG 4.09Å; F139-F274 HydrophobicContact CE1-CZ 4.4Å
140	P	90.1	Very high	78.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-66.7	140.8	176.5	27.7	-36.9	0	0	0	112	A142 V209 V271 F274 Y277	P140-A142 PolarHBondContact O-N 3.3Å; P140-V209 HydrophobicContact CG-CB 4.34Å; P140-V271 HydrophobicContact CB-CG1 3.65Å; P140-F274 HydrophobicContact CG-CB 4.43Å; P140-F274 WeakPolarHBondContact CG-O 3.28Å; P140-Y277 WeakPolarHBondContact CB-OH 3.46Å
141	P	91.8	Very high	76.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-64.3	131.4	161	27.2	-36.2	0	0	0	110.8	I98 L111 I133 S174 R175 Y277	I98-P141 HydrophobicContact CD1-CG 4Å; L111-P141 HydrophobicContact CB-CG 4.39Å; L111-P141 HydrophobicContact CD2-CB 4.44Å; L111-P141 WeakPolarHBondContact CD2-O 3.27Å; I133-P141 HydrophobicContact CD1-CB 3.6Å; I133-P141 HydrophobicContact CD1-CG 4.27Å; P141-S174 CarbonylContact C-O 3.45Å; P141-S174 VanDerWaalsContact CA-O 3.26Å; P141-S174 WeakPolarHBondContact CA-O 3.46Å; P141-R175 HydrophobicContact CB-CB 4.43Å; P141-Y277 WeakPolarHBondContact O-CE1 2.95Å; P141-Y277 PolarHBondContact O-OH 3.06Å
142	A	91.5	Very high	74.6	Confident	1 Å²	1	57 Å²	57	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	153.9	171.2	0	0	0	0	0	110.4	P140 I173 S174 I211	P140-A142 PolarHBondContact O-N 3.3Å; A142-I173 CarbonylContact O-C 3.55Å; A142-I173 WeakPolarHBondContact O-CA 3.39Å; A142-S174 PolarHBondContact N-O 2.52Å; A142-S174 PolarHBondContact O-N 3.18Å; A142-I211 HydrophobicContact CB-CD1 4.47Å; A142-I211 HydrophobicContact CB-CG1 3.89Å
143	C	91.8	Very high	72.6	Confident	7 Å²	7	58.4 Å²	58.4	5%	0.047	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.3	174.5	80.7	0	0	0	0	112.3	K101 L111 C172	K101-C143 VanDerWaalsContact CD-O 3.26Å; K101-C143 WeakPolarHBondContact CD-O 3.44Å; K101-C143 PolarHBondContact NZ-O 3.11Å; L111-C143 HydrophobicContact CD2-CB 4.03Å; C143-C172 CarbonylContact C-O 3.6Å; C143-C172 VanDerWaalsContact CA-O 3.23Å; C143-C172 WeakPolarHBondContact CA-O 3.34Å; C143-C172 WeakPolarHBondContact CB-O 3.43Å
144	S	91.1	Very high	70.9	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.014	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	167.6	168.2	-152.6	0	0	0	0	111.7	K101 V171 C172 W213	K101-S144 PolarHBondContact NZ-OG 3.32Å; S144-V171 CarbonylContact O-C 3.46Å; S144-V171 WeakPolarHBondContact O-CA 3.41Å; S144-V171 WeakPolarHBondContact O-CG1 3.35Å; S144-C172 PolarHBondContact N-O 2.99Å; S144-C172 PolarHBondContact O-N 3.17Å; S144-C172 PolarHBondContact O-SG 3.44Å; S144-C172 VanDerWaalsContact O-SG 3.39Å; S144-W213 PolarHBondContact OG-N 3.35Å
145	F	88.9	Confident	69.7	Low	11 Å²	11	62 Å²	62	5%	0.048	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	161.5	-178.8	67.6	-84.2	0	0	0	110.2	K101 M102 M103 P104 L147 L161 R170 V171 S285	K101-F145 HydrophobicContact CD-CD1 4.49Å; K101-F145 HydrophobicContact CG-CE1 4.31Å; M102-F145 WeakPolarHBondContact O-CE1 3.24Å; M102-F145 WeakPolarHBondContact O-CZ 3.43Å; M103-F145 HydrophobicContact CE-CB 3.53Å; M103-F145 HydrophobicContact CE-CD1 3.61Å; M103-F145 HydrophobicContact CE-CE1 4.47Å; M103-F145 HydrophobicContact CE-CG 3.69Å; M103-F145 HydrophobicContact SD-CB 4.43Å; M103-F145 HydrophobicContact SD-CD1 3.34Å; M103-F145 WeakPolarHBondContact SD-CD1 3.37Å; M103-F145 HydrophobicContact SD-CE1 3.74Å; M103-F145 HydrophobicContact SD-CG 4.05Å; P104-F145 HydrophobicContact CG-CD2 4.3Å; P104-F145 HydrophobicContact CG-CE2 4.05Å; F145-L147 HydrophobicContact CD2-CG 4.37Å; F145-L147 HydrophobicContact CE2-CD1 4.37Å; F145-L147 HydrophobicContact CE2-CG 4.21Å; F145-L161 HydrophobicContact CE2-CD2 3.86Å; F145-L161 HydrophobicContact CZ-CD2 3.69Å; F145-R170 VanDerWaalsContact CA-O 3.31Å; F145-R170 WeakPolarHBondContact CA-O 3.44Å; F145-R170 WeakPolarHBondContact CB-O 3.48Å; F145-V171 HydrophobicContact CB-CG2 4.09Å; F145-S285 VanDerWaalsContact CE2-CB 3.4Å
146	W	82.1	Confident	68.8	Low	16 Å²	16	62.2 Å²	62.2	6%	0.061	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	127.9	178.1	-178	-109.6	0	0	0	110.2	R170 W213 M214 N216 S285 T286	W146-R170 PolarHBondContact N-O 3.49Å; W146-W213 HydrophobicContact CB-CB 4.18Å; W146-W213 HydrophobicContact CB-CD2 3.78Å; W146-W213 HydrophobicContact CB-CG 3.56Å; W146-W213 VanDerWaalsContact CE3-O 3.25Å; W146-W213 AromaticContact CG-CD1 3.84Å; W146-W213 HydrophobicContact CG-CG 4.33Å; W146-M214 WeakPolarHBondContact CH2-O 3.39Å; W146-M214 VanDerWaalsContact CZ3-C 3.49Å; W146-M214 WeakPolarHBondContact CZ3-O 3.17Å; W146-N216 VanDerWaalsContact CD1-OD1 3.24Å; W146-N216 PolarHBondContact NE1-OD1 3.46Å; W146-S285 VanDerWaalsContact CE3-O 3.25Å; W146-T286 VanDerWaalsContact CZ3-CA 3.46Å
147	L	70.9	Confident	67.6	Low	55 Å²	55	60.7 Å²	60.7	29%	0.288	34%	0.337	S	S	.	.			trans	-90	-7.8	-178.8	-89.5	178.9	0	0	0	113.9	P104 F145 S160 L161 F169 T286	P104-L147 HydrophobicContact CB-CD2 4.11Å; P104-L147 HydrophobicContact CG-CD1 3.97Å; P104-L147 HydrophobicContact CG-CD2 3.43Å; P104-L147 VanDerWaalsContact CG-CD2 3.43Å; P104-L147 HydrophobicContact CG-CG 3.84Å; F145-L147 HydrophobicContact CD2-CG 4.37Å; F145-L147 HydrophobicContact CE2-CD1 4.37Å; F145-L147 HydrophobicContact CE2-CG 4.21Å; L147-S160 WeakPolarHBondContact CD1-OG 3.19Å; L147-L161 HydrophobicContact CD1-CD2 4.22Å; L147-F169 HydrophobicContact CD2-CB 4.4Å; L147-T286 HydrophobicContact CB-CG2 4.25Å
148	G	63.4	Low	66.4	Low	19 Å²	19	57.8 Å²	57.8	20%	0.196	33%	0.33	C	S	.	.			trans	80.9	172.3	-168	0	0	0	0	0	112.6	T286	G148-T286 WeakPolarHBondContact O-CG2 3.27Å
149	T	54.5	Low	64.8	Low	105 Å²	105	56.5 Å²	56.5	64%	0.644	33%	0.326	S	S	*	.			trans	-72.7	131.2	175.5	47	0	0	0	0	110.8	K151	T149-K151 PolarHBondContact O-N 2.74Å; T149-K151 VanDerWaalsContact O-N 3.15Å
150	P	49.1	Very low	63.1	Low	73 Å²	73	57.2 Å²	57.2	47%	0.474	33%	0.334	S	S	.	.			trans	-67.2	114.2	172.7	27	-32	0	0	0	109.2	T152	P150-T152 PolarHBondContact O-N 2.77Å
151	K	42.8	Very low	61.5	Low	203 Å²	203	58.3 Å²	58.3	88%	0.883	34%	0.339	S	S	*	.	S	Bend	trans	-68.7	1.2	-177	-77.8	-165.9	170.9	-168.2	0	115.1	T149	T149-K151 PolarHBondContact O-N 2.74Å; T149-K151 VanDerWaalsContact O-N 3.15Å
152	T	42.3	Very low	59.8	Low	82 Å²	82	59.2 Å²	59.2	50%	0.503	34%	0.343	S	S	.	.			trans	-146.8	130.6	177.2	49.6	0	0	0	0	111	P150 I154	P150-T152 PolarHBondContact O-N 2.77Å; T152-I154 PolarHBondContact O-N 2.98Å
153	A	39.6	Very low	58.2	Low	113 Å²	113	61.4 Å²	61.4	93%	0.934	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	0.1	-179.1	0	0	0	0	0	115
154	I	40.6	Very low	56.2	Low	151 Å²	151	67.9 Å²	67.9	77%	0.774	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-23.6	-172.2	-59.2	174.1	0	0	0	112	T152	T152-I154 PolarHBondContact O-N 2.98Å
155	N	43.4	Very low	54.8	Low	94 Å²	94	72.7 Å²	72.7	50%	0.503	43%	0.427	S	S	.	.	S	Bend	trans	-106.2	122.4	177.7	-74	-43.8	0	0	0	110.2	N159	N155-N159 HydrophobicContact CB-CB 4.42Å
156	S	49.1	Very low	53.9	Low	52 Å²	52	74.4 Å²	74.4	36%	0.364	44%	0.436	S	S	.	.			trans	-57.6	148	171.6	75.8	0	0	0	0	110	L158 N159	S156-L158 PolarHBondContact O-N 3.3Å; S156-N159 WeakPolarHBondContact O-CB 3.43Å; S156-N159 PolarHBondContact O-N 3.35Å; S156-N159 PolarHBondContact OG-N 2.98Å
157	P	48.9	Very low	53.6	Low	44 Å²	44	81.9 Å²	81.9	29%	0.286	47%	0.469	S	S	.	.	H	α-helix	trans	-58.3	-23.4	176.9	21.3	-33.2	0	0	0	112.9	S160 T284	P157-S160 WeakPolarHBondContact O-CB 3.24Å; P157-S160 PolarHBondContact O-N 3.25Å; P157-S160 PolarHBondContact O-OG 3.44Å; P157-T284 HydrophobicContact CB-CG2 3.95Å; P157-T284 HydrophobicContact CG-CG2 3.56Å
158	L	50.9	Low	54.1	Low	59 Å²	59	82.5 Å²	82.5	31%	0.309	47%	0.473	S	S	.	.	H	α-helix	trans	-68.8	-33.6	172	-63.6	168.4	0	0	0	112.9	L11 S156 S160 L161 Y162	L11-L158 HydrophobicContact CD2-CD2 3.95Å; L11-L158 WeakPolarHBondContact O-CD1 3.37Å; S156-L158 PolarHBondContact O-N 3.3Å; L158-S160 PolarHBondContact O-N 3.02Å; L158-L161 PolarHBondContact O-N 3.16Å; L158-Y162 WeakPolarHBondContact O-CD2 3.3Å
159	N	49.4	Very low	55.1	Low	81 Å²	81	82 Å²	82	43%	0.433	47%	0.465	S	S	.	.	H	α-helix	trans	-65.7	-23.8	173.9	-74.6	-10.2	0	0	0	112.5	N155 S156 Y162 S163	N155-N159 HydrophobicContact CB-CB 4.42Å; S156-N159 WeakPolarHBondContact O-CB 3.43Å; S156-N159 PolarHBondContact O-N 3.35Å; S156-N159 PolarHBondContact OG-N 2.98Å; N159-Y162 CarbonylContact O-C 3.52Å; N159-Y162 PolarHBondContact O-N 3.02Å; N159-S163 PolarHBondContact O-N 3.29Å
160	S	53	Low	56.7	Low	34 Å²	34	80.9 Å²	80.9	24%	0.238	45%	0.449	C	S	.	.	H	α-helix	trans	-69.8	-31.1	-178.6	76.2	0	0	0	0	113.7	L147 P157 L158 Y162	L147-S160 WeakPolarHBondContact CD1-OG 3.19Å; P157-S160 WeakPolarHBondContact O-CB 3.24Å; P157-S160 PolarHBondContact O-N 3.25Å; P157-S160 PolarHBondContact O-OG 3.44Å; L158-S160 PolarHBondContact O-N 3.02Å; S160-Y162 PolarHBondContact O-N 2.72Å
161	L	55.5	Low	58.6	Low	22 Å²	22	77.4 Å²	77.4	12%	0.115	43%	0.427	C	S	.	.	H	α-helix	trans	-65.3	-28.3	174.4	-65.4	171.6	0	0	0	112.5	P104 G105 F145 L147 L158	P104-L161 WeakPolarHBondContact CA-O 3.3Å; G105-L161 PolarHBondContact N-O 2.87Å; F145-L161 HydrophobicContact CE2-CD2 3.86Å; F145-L161 HydrophobicContact CZ-CD2 3.69Å; L147-L161 HydrophobicContact CD1-CD2 4.22Å; L158-L161 PolarHBondContact O-N 3.16Å
162	Y	57.1	Low	61	Low	20 Å²	20	67.7 Å²	67.7	8%	0.078	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	29.9	-172.2	-53.9	-74.4	0	0	0	113	L11 K55 D106 L158 N159 S160	L11-Y162 HydrophobicContact CD1-CE2 3.62Å; L11-Y162 HydrophobicContact CD2-CE2 4.26Å; K55-Y162 HydrophobicContact CB-CD1 3.89Å; K55-Y162 HydrophobicContact CB-CD2 4.24Å; K55-Y162 HydrophobicContact CB-CE1 3.93Å; K55-Y162 HydrophobicContact CB-CE2 4.28Å; K55-Y162 HydrophobicContact CB-CG 4.05Å; K55-Y162 HydrophobicContact CD-CD1 4.18Å; K55-Y162 HydrophobicContact CD-CD2 4.34Å; K55-Y162 HydrophobicContact CD-CG 3.79Å; K55-Y162 VanDerWaalsContact CE-CB 3.46Å; K55-Y162 HydrophobicContact CG-CD1 4.2Å; K55-Y162 HydrophobicContact CG-CD2 3.95Å; K55-Y162 HydrophobicContact CG-CE2 4.38Å; K55-Y162 HydrophobicContact CG-CG 3.84Å; K55-Y162 PolarHBondContact NZ-O 3.43Å; D106-Y162 WeakPolarHBondContact OD1-CD1 3.35Å; L158-Y162 WeakPolarHBondContact O-CD2 3.3Å; N159-Y162 CarbonylContact O-C 3.52Å; N159-Y162 PolarHBondContact O-N 3.02Å; S160-Y162 PolarHBondContact O-N 2.72Å
163	S	57.1	Low	63.4	Low	47 Å²	47	64.4 Å²	64.4	33%	0.329	36%	0.364	S	S	.	.			trans	-71.5	140.6	172.9	-178	0	0	0	0	110.8	N159 T165	N159-S163 PolarHBondContact O-N 3.29Å; S163-T165 VanDerWaalsContact C-N 3.28Å; S163-T165 PolarHBondContact O-N 3.47Å; S163-T165 PolarHBondContact OG-N 3.42Å
164	T	51.1	Low	65.8	Low	143 Å²	143	59.1 Å²	59.1	88%	0.877	32%	0.32	S	S	*	.	S	Bend	trans	-73.5	-18.6	177.3	47.2	0	0	0	0	113.2
165	T	61.1	Low	68.2	Low	103 Å²	103	51.9 Å²	51.9	63%	0.632	28%	0.283	S	S	*	.	S	Bend	trans	-108.9	86.3	176.1	60.1	0	0	0	0	110.1	S163	S163-T165 VanDerWaalsContact C-N 3.28Å; S163-T165 PolarHBondContact O-N 3.47Å; S163-T165 PolarHBondContact OG-N 3.42Å
166	L	70	Confident	70.5	Confident	46 Å²	46	47.4 Å²	47.4	24%	0.241	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-73.8	125.9	178.4	-63.2	164.4	0	0	0	110.4	P104 G105 A186	P104-L166 HydrophobicContact CB-CD2 3.94Å; G105-L166 VanDerWaalsContact CA-CD2 3.45Å; L166-A186 HydrophobicContact CB-CB 3.69Å
167	K	74.9	Confident	72.5	Confident	173 Å²	173	46.9 Å²	46.9	75%	0.752	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-97.3	160.8	170.1	-64.9	-173.2	179.7	-177.8	0	110	F169	K167-F169 PolarHBondContact O-N 2.87Å
168	D	82.8	Confident	74.5	Confident	69 Å²	69	47.9 Å²	47.9	37%	0.369	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-56.4	131.3	170.7	-72.7	12.1	0	0	0	111	R183 I184 H185 A186	D168-R183 HydrophobicContact CB-CG 4.39Å; D168-I184 VanDerWaalsContact CA-O 3.23Å; D168-I184 WeakPolarHBondContact CA-O 3.39Å; D168-I184 WeakPolarHBondContact CB-O 3.45Å; D168-H185 VanDerWaalsContact OD1-CA 3.29Å; D168-H185 WeakPolarHBondContact OD1-CA 3.21Å; D168-H185 IonicContact OD2-CE1 3.06Å; D168-H185 IonicContact OD2-CG 3.37Å; D168-H185 IonicContact OD2-ND1 3.01Å; D168-H185 PolarHBondContact OD2-ND1 3.29Å; D168-A186 PolarHBondContact OD1-N 3.04Å
169	F	83.6	Confident	76.5	Confident	7 Å²	7	45.2 Å²	45.2	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	160.3	-178.3	60	-91.1	0	0	0	111.6	M103 P104 L147 K167 V171 I184 F189	M103-F169 HydrophobicContact CE-CE2 3.87Å; P104-F169 HydrophobicContact CB-CD1 4.47Å; P104-F169 HydrophobicContact CB-CE1 4.34Å; P104-F169 HydrophobicContact CG-CD1 4.27Å; P104-F169 HydrophobicContact CG-CE1 4.35Å; P104-F169 HydrophobicContact CG-CG 4.39Å; L147-F169 HydrophobicContact CD2-CB 4.4Å; K167-F169 PolarHBondContact O-N 2.87Å; F169-V171 HydrophobicContact CD2-CG2 3.71Å; F169-V171 HydrophobicContact CE2-CG2 3.58Å; F169-I184 HydrophobicContact CD1-CB 4.34Å; F169-I184 HydrophobicContact CD1-CG2 4.49Å; F169-I184 HydrophobicContact CD2-CB 4.08Å; F169-I184 HydrophobicContact CD2-CG1 4.14Å; F169-I184 HydrophobicContact CE1-CB 4.07Å; F169-I184 HydrophobicContact CE1-CG2 3.8Å; F169-I184 HydrophobicContact CE2-CB 3.78Å; F169-I184 HydrophobicContact CE2-CG1 3.7Å; F169-I184 HydrophobicContact CE2-CG2 4.07Å; F169-I184 HydrophobicContact CG-CB 4.35Å; F169-I184 HydrophobicContact CZ-CB 3.79Å; F169-I184 HydrophobicContact CZ-CG1 4.09Å; F169-I184 HydrophobicContact CZ-CG2 3.56Å; F169-I184 PolarHBondContact N-O 2.97Å; F169-I184 PolarHBondContact O-N 3.26Å; F169-F189 HydrophobicContact CE1-CZ 4.25Å
170	R	87.7	Confident	78.5	Confident	82 Å²	82	41.8 Å²	41.8	31%	0.309	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	141.8	178.3	-60.5	-173.6	-170.9	178.2	3.6	110.8	F145 W146 L182 I199 W213	F145-R170 VanDerWaalsContact CA-O 3.31Å; F145-R170 WeakPolarHBondContact CA-O 3.44Å; F145-R170 WeakPolarHBondContact CB-O 3.48Å; W146-R170 PolarHBondContact N-O 3.49Å; R170-L182 CarbonylContact C-O 3.57Å; R170-L182 VanDerWaalsContact CA-O 3.31Å; R170-L182 WeakPolarHBondContact CA-O 3.45Å; R170-I199 HydrophobicContact CG-CD1 4.13Å; R170-W213 HydrophobicContact CB-CH2 3.59Å; R170-W213 HydrophobicContact CB-CZ2 4.25Å; R170-W213 HydrophobicContact CB-CZ3 3.82Å; R170-W213 HydrophobicContact CG-CH2 4.42Å
171	V	90.4	Very high	80.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.2	177.4	-176.6	0	0	0	0	108.2	M103 F118 S144 F145 F169 I173 L182 I184	M103-V171 HydrophobicContact CE-CB 4.35Å; M103-V171 HydrophobicContact CE-CG1 3.98Å; M103-V171 HydrophobicContact CE-CG2 3.41Å; M103-V171 VanDerWaalsContact CE-CG2 3.41Å; F118-V171 HydrophobicContact CZ-CG1 4.19Å; F118-V171 HydrophobicContact CZ-CG2 4.46Å; S144-V171 CarbonylContact O-C 3.46Å; S144-V171 WeakPolarHBondContact O-CA 3.41Å; S144-V171 WeakPolarHBondContact O-CG1 3.35Å; F145-V171 HydrophobicContact CB-CG2 4.09Å; F169-V171 HydrophobicContact CD2-CG2 3.71Å; F169-V171 HydrophobicContact CE2-CG2 3.58Å; V171-I173 HydrophobicContact CG1-CG1 4.49Å; V171-L182 HydrophobicContact CB-CB 4.45Å; V171-L182 PolarHBondContact N-O 3.08Å; V171-L182 PolarHBondContact O-N 3.35Å; V171-I184 HydrophobicContact CB-CG1 4.43Å; V171-I184 HydrophobicContact CG2-CD1 4.37Å; V171-I184 HydrophobicContact CG2-CG1 3.58Å
172	C	92.2	Very high	82.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	141.6	166.2	57.4	0	0	0	0	109.4	C143 S144 L179 A180 I211 W213 I219	C143-C172 CarbonylContact C-O 3.6Å; C143-C172 VanDerWaalsContact CA-O 3.23Å; C143-C172 WeakPolarHBondContact CA-O 3.34Å; C143-C172 WeakPolarHBondContact CB-O 3.43Å; S144-C172 PolarHBondContact N-O 2.99Å; S144-C172 PolarHBondContact O-N 3.17Å; S144-C172 PolarHBondContact O-SG 3.44Å; S144-C172 VanDerWaalsContact O-SG 3.39Å; C172-L179 HydrophobicContact CB-CD2 4.41Å; C172-A180 CarbonylContact C-O 3.53Å; C172-A180 WeakPolarHBondContact CA-O 3.48Å; C172-I211 HydrophobicContact CB-CD1 4.07Å; C172-I211 VanDerWaalsContact SG-CD1 3.5Å; C172-W213 HydrophobicContact CB-CE3 3.77Å; C172-W213 HydrophobicContact CB-CZ3 3.79Å; C172-W213 VanDerWaalsContact SG-CE3 3.55Å; C172-I219 HydrophobicContact CB-CD1 3.88Å
173	I	92.1	Very high	83.6	Confident	13 Å²	13	43.2 Å²	43.2	7%	0.067	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.7	170.6	-49.6	172.1	0	0	0	105.9	L116 I133 A142 V171 L179 A180 L182	L116-I173 HydrophobicContact CB-CD1 4.17Å; L116-I173 HydrophobicContact CD2-CD1 3.37Å; L116-I173 HydrophobicContact CD2-CG1 3.86Å; L116-I173 HydrophobicContact CG-CD1 4.34Å; I133-I173 HydrophobicContact CD1-CG2 4.35Å; A142-I173 CarbonylContact O-C 3.55Å; A142-I173 WeakPolarHBondContact O-CA 3.39Å; V171-I173 HydrophobicContact CG1-CG1 4.49Å; I173-L179 CarbonylContact O-C 3.54Å; I173-L179 WeakPolarHBondContact O-CA 3.33Å; I173-A180 PolarHBondContact N-O 3.05Å; I173-A180 PolarHBondContact O-N 3.06Å; I173-L182 HydrophobicContact CD1-CD1 3.44Å; I173-L182 VanDerWaalsContact CD1-CD1 3.44Å; I173-L182 HydrophobicContact CG1-CD1 4.16Å
174	S	91.4	Very high	85	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	158.4	168.4	68.8	0	0	0	0	111	P141 A142 K178 I211	P141-S174 CarbonylContact C-O 3.45Å; P141-S174 VanDerWaalsContact CA-O 3.26Å; P141-S174 WeakPolarHBondContact CA-O 3.46Å; A142-S174 PolarHBondContact N-O 2.52Å; A142-S174 PolarHBondContact O-N 3.18Å; S174-K178 CarbonylContact C-O 3.59Å; S174-K178 WeakPolarHBondContact CA-O 3.24Å; S174-I211 VanDerWaalsContact OG-CG2 3.24Å; S174-I211 WeakPolarHBondContact OG-CG2 3.46Å
175	R	90.8	Very high	86.8	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	130.2	160.2	-175.4	-176.9	-168.4	171.3	17.2	109.5	V113 I133 F135 E136 Y137 F139 P141 N177 K178	V113-R175 VanDerWaalsContact O-CZ 3.24Å; V113-R175 PolarHBondContact O-NH1 3.34Å; V113-R175 PolarHBondContact O-NH2 3.12Å; I133-R175 HydrophobicContact CG2-CB 3.77Å; I133-R175 HydrophobicContact CG2-CG 4.36Å; I133-R175 PolarHBondContact O-NH1 3.21Å; F135-R175 HydrophobicContact CB-CB 4.23Å; F135-R175 WeakPolarHBondContact O-CD 3.39Å; F135-R175 PolarHBondContact O-NH1 2.95Å; E136-R175 WeakPolarHBondContact O-CD 3.49Å; E136-R175 PolarHBondContact O-NE 3.46Å; Y137-R175 VanDerWaalsContact CD1-NH1 3.3Å; Y137-R175 PolarHBondContact O-NH2 2.86Å; F139-R175 WeakPolarHBondContact O-CG 3.3Å; F139-R175 PolarHBondContact O-NE 3.35Å; P141-R175 HydrophobicContact CB-CB 4.43Å; R175-N177 PolarHBondContact O-N 3.19Å; R175-K178 PolarHBondContact N-O 2.97Å; R175-K178 PolarHBondContact O-N 3.07Å; R175-K178 VanDerWaalsContact O-N 3.11Å
176	G	90.4	Very high	87.7	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.5	-135.2	-172.4	0	0	0	0	0	109.3	E136 K178 S207 L208	E136-G176 WeakPolarHBondContact OE2-CA 3.29Å; G176-K178 VanDerWaalsContact C-N 3.26Å; G176-K178 PolarHBondContact O-N 3.45Å; G176-S207 VanDerWaalsContact C-CA 3.44Å; G176-S207 WeakPolarHBondContact CA-OG 3.4Å; G176-S207 WeakPolarHBondContact O-CA 3.17Å; G176-L208 PolarHBondContact O-N 3.07Å
177	N	91.8	Very high	88.3	Confident	41 Å²	41	35.4 Å²	35.4	22%	0.219	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	4	-179.6	82.9	-26.4	0	0	0	115.5	R175 E203 L204 C206 S207	R175-N177 PolarHBondContact O-N 3.19Å; N177-E203 WeakPolarHBondContact ND2-CG 3.36Å; N177-E203 PolarHBondContact ND2-OE1 2.78Å; N177-L204 WeakPolarHBondContact O-CB 3.37Å; N177-L204 PolarHBondContact O-N 3.41Å; N177-C206 WeakPolarHBondContact CA-O 3.49Å; N177-S207 PolarHBondContact N-OG 3.39Å; N177-S207 VanDerWaalsContact N-OG 3.12Å
178	K	91.8	Very high	88.7	Confident	65 Å²	65	29 Å²	29	28%	0.283	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.8	-173	-81.9	161.8	-168.9	176.3	0	113.1	F135 S174 R175 G176 E203	F135-K178 HydrophobicContact CB-CB 4.25Å; F135-K178 HydrophobicContact CB-CD 4.5Å; F135-K178 HydrophobicContact CD1-CB 3.97Å; F135-K178 HydrophobicContact CD1-CD 3.45Å; F135-K178 VanDerWaalsContact CD1-CD 3.45Å; F135-K178 HydrophobicContact CD1-CG 4.23Å; F135-K178 HydrophobicContact CD2-CB 3.91Å; F135-K178 HydrophobicContact CE1-CB 4.29Å; F135-K178 HydrophobicContact CE1-CD 3.84Å; F135-K178 HydrophobicContact CE2-CB 4.25Å; F135-K178 HydrophobicContact CG-CB 3.77Å; F135-K178 HydrophobicContact CG-CD 4.07Å; F135-K178 HydrophobicContact CG-CG 4.48Å; F135-K178 HydrophobicContact CZ-CB 4.43Å; S174-K178 CarbonylContact C-O 3.59Å; S174-K178 WeakPolarHBondContact CA-O 3.24Å; R175-K178 PolarHBondContact N-O 2.97Å; R175-K178 PolarHBondContact O-N 3.07Å; R175-K178 VanDerWaalsContact O-N 3.11Å; G176-K178 VanDerWaalsContact C-N 3.26Å; G176-K178 PolarHBondContact O-N 3.45Å; K178-E203 WeakPolarHBondContact CE-OE1 3.38Å; K178-E203 IonicContact NZ-OE1 2.8Å; K178-E203 PolarHBondContact NZ-OE1 3.36Å; K178-E203 IonicContact NZ-OE2 2.73Å
179	L	92.9	Very high	88.6	Confident	2 Å²	2	26 Å²	26	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.7	176.6	-174.9	148	0	0	0	111.2	C172 I173 I181 Q201 L202 L204 I211 I219 I231	C172-L179 HydrophobicContact CB-CD2 4.41Å; I173-L179 CarbonylContact O-C 3.54Å; I173-L179 WeakPolarHBondContact O-CA 3.33Å; L179-I181 HydrophobicContact CD2-CD1 4.19Å; L179-I181 HydrophobicContact CD2-CG1 3.66Å; L179-Q201 CarbonylContact O-C 3.43Å; L179-Q201 WeakPolarHBondContact O-CA 3.49Å; L179-L202 HydrophobicContact CD2-CD1 4.22Å; L179-L202 PolarHBondContact N-O 3.47Å; L179-L202 PolarHBondContact O-N 3.44Å; L179-L204 HydrophobicContact CB-CD1 4Å; L179-L204 HydrophobicContact CB-CG 4.46Å; L179-I211 HydrophobicContact CD1-CD1 4.46Å; L179-I211 HydrophobicContact CD1-CG2 4.47Å; L179-I219 HydrophobicContact CD1-CG2 4.37Å; L179-I231 HydrophobicContact CD1-CD1 4.22Å
180	A	91.6	Very high	88.4	Confident	10 Å²	10	32.2 Å²	32.2	8%	0.083	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.4	175.9	0	0	0	0	0	110.7	C172 I173 Q201	C172-A180 CarbonylContact C-O 3.53Å; C172-A180 WeakPolarHBondContact CA-O 3.48Å; I173-A180 PolarHBondContact N-O 3.05Å; I173-A180 PolarHBondContact O-N 3.06Å; A180-Q201 HydrophobicContact CB-CG 4.09Å
181	I	92.1	Very high	88	Confident	4 Å²	4	30.5 Å²	30.5	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122.3	175.5	-57.2	175.9	0	0	0	108.7	L179 I199 R200 W213 I219 P233	L179-I181 HydrophobicContact CD2-CD1 4.19Å; L179-I181 HydrophobicContact CD2-CG1 3.66Å; I181-I199 HydrophobicContact CG2-CB 4.25Å; I181-I199 HydrophobicContact CG2-CD1 3.91Å; I181-I199 HydrophobicContact CG2-CG1 4.3Å; I181-I199 PolarHBondContact O-N 3.42Å; I181-R200 PolarHBondContact N-O 3.25Å; I181-R200 PolarHBondContact O-N 2.85Å; I181-W213 HydrophobicContact CG2-CH2 3.76Å; I181-W213 HydrophobicContact CG2-CZ3 4.13Å; I181-I219 HydrophobicContact CD1-CD1 4.48Å; I181-P233 HydrophobicContact CD1-CB 3.49Å; I181-P233 VanDerWaalsContact CD1-CB 3.49Å
182	L	90.4	Very high	87.4	Confident	4 Å²	4	41 Å²	41	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	143.5	177.9	-67.4	163	0	0	0	110.5	F118 F131 R170 V171 I173 I184 T197 V198	F118-L182 HydrophobicContact CE2-CD1 4.26Å; F118-L182 HydrophobicContact CZ-CD1 4.47Å; F131-L182 HydrophobicContact CD1-CD1 4.3Å; F131-L182 HydrophobicContact CD1-CD2 4.07Å; F131-L182 HydrophobicContact CE1-CD2 3.99Å; F131-L182 HydrophobicContact CG-CD1 4.43Å; R170-L182 CarbonylContact C-O 3.57Å; R170-L182 VanDerWaalsContact CA-O 3.31Å; R170-L182 WeakPolarHBondContact CA-O 3.45Å; V171-L182 HydrophobicContact CB-CB 4.45Å; V171-L182 PolarHBondContact N-O 3.08Å; V171-L182 PolarHBondContact O-N 3.35Å; I173-L182 HydrophobicContact CD1-CD1 3.44Å; I173-L182 VanDerWaalsContact CD1-CD1 3.44Å; I173-L182 HydrophobicContact CG1-CD1 4.16Å; L182-I184 HydrophobicContact CB-CD1 4.29Å; L182-T197 CarbonylContact C-O 3.57Å; L182-T197 VanDerWaalsContact CA-O 3.31Å; L182-T197 WeakPolarHBondContact CA-O 3.33Å; L182-V198 HydrophobicContact CD2-CB 4.4Å; L182-V198 HydrophobicContact CD2-CG2 3.67Å
183	R	89.6	Confident	86.8	Confident	98 Å²	98	49.2 Å²	49.2	37%	0.37	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.8	156.9	-172.2	176.1	-60.8	-177.7	5.4	107.9	D168 A196 T197 I199	D168-R183 HydrophobicContact CB-CG 4.39Å; R183-A196 CarbonylContact O-C 3.54Å; R183-A196 WeakPolarHBondContact O-CA 3.31Å; R183-A196 WeakPolarHBondContact O-CB 3.41Å; R183-T197 PolarHBondContact N-O 3.11Å; R183-T197 PolarHBondContact O-N 2.94Å; R183-I199 HydrophobicContact CB-CD1 3.83Å; R183-I199 HydrophobicContact CB-CG1 3.94Å
184	I	87.3	Confident	86.3	Confident	5 Å²	5	56.4 Å²	56.4	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.1	174.2	-56.1	-56.4	0	0	0	107.6	F118 D168 F169 V171 L182 A186 F189 A196	F118-I184 HydrophobicContact CE1-CD1 4.46Å; F118-I184 HydrophobicContact CE2-CD1 3.93Å; F118-I184 HydrophobicContact CZ-CD1 3.85Å; D168-I184 VanDerWaalsContact CA-O 3.23Å; D168-I184 WeakPolarHBondContact CA-O 3.39Å; D168-I184 WeakPolarHBondContact CB-O 3.45Å; F169-I184 HydrophobicContact CD1-CB 4.34Å; F169-I184 HydrophobicContact CD1-CG2 4.49Å; F169-I184 HydrophobicContact CD2-CB 4.08Å; F169-I184 HydrophobicContact CD2-CG1 4.14Å; F169-I184 HydrophobicContact CE1-CB 4.07Å; F169-I184 HydrophobicContact CE1-CG2 3.8Å; F169-I184 HydrophobicContact CE2-CB 3.78Å; F169-I184 HydrophobicContact CE2-CG1 3.7Å; F169-I184 HydrophobicContact CE2-CG2 4.07Å; F169-I184 HydrophobicContact CG-CB 4.35Å; F169-I184 HydrophobicContact CZ-CB 3.79Å; F169-I184 HydrophobicContact CZ-CG1 4.09Å; F169-I184 HydrophobicContact CZ-CG2 3.56Å; F169-I184 PolarHBondContact N-O 2.97Å; F169-I184 PolarHBondContact O-N 3.26Å; V171-I184 HydrophobicContact CB-CG1 4.43Å; V171-I184 HydrophobicContact CG2-CD1 4.37Å; V171-I184 HydrophobicContact CG2-CG1 3.58Å; L182-I184 HydrophobicContact CB-CD1 4.29Å; I184-A186 PolarHBondContact O-N 2.95Å; I184-F189 HydrophobicContact CG2-CE1 3.4Å; I184-F189 HydrophobicContact CG2-CZ 3.55Å; I184-A196 HydrophobicContact CD1-CB 3.64Å
185	H	87.5	Confident	86	Confident	32 Å²	32	59.7 Å²	59.7	15%	0.148	27%	0.266	C	S	.	.			trans	-93.6	93.6	-177.3	-65.6	-67.8	0	0	0	110	D168 N187 N188 F189 R194 R195 T197	D168-H185 VanDerWaalsContact OD1-CA 3.29Å; D168-H185 WeakPolarHBondContact OD1-CA 3.21Å; D168-H185 IonicContact OD2-CE1 3.06Å; D168-H185 IonicContact OD2-CG 3.37Å; D168-H185 IonicContact OD2-ND1 3.01Å; D168-H185 PolarHBondContact OD2-ND1 3.29Å; H185-N187 VanDerWaalsContact C-N 3.34Å; H185-N187 PolarHBondContact O-N 3.4Å; H185-N188 HydrophobicContact CB-CB 3.98Å; H185-N188 PolarHBondContact O-N 3.19Å; H185-F189 WeakPolarHBondContact O-CD1 3.32Å; H185-R194 PolarHBondContact CD2-O 3.47Å; H185-R195 PolarHBondContact N-O 3.33Å; H185-T197 WeakPolarHBondContact NE2-CG2 3.36Å; H185-T197 PolarHBondContact NE2-OG1 2.76Å
186	A	81.4	Confident	85.7	Confident	9 Å²	9	60.2 Å²	60.2	7%	0.074	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-63.1	-40.9	-170.9	0	0	0	0	0	112.1	L166 D168 I184 N188 F189	L166-A186 HydrophobicContact CB-CB 3.69Å; D168-A186 PolarHBondContact OD1-N 3.04Å; I184-A186 PolarHBondContact O-N 2.95Å; A186-N188 PolarHBondContact O-N 2.84Å; A186-N188 VanDerWaalsContact O-N 3.12Å; A186-F189 HydrophobicContact CB-CE2 4.49Å; A186-F189 HydrophobicContact CB-CZ 4.4Å; A186-F189 VanDerWaalsContact O-CG 3.29Å; A186-F189 WeakPolarHBondContact O-CG 3.42Å; A186-F189 PolarHBondContact O-N 2.9Å
187	N	81.4	Confident	85.7	Confident	128 Å²	128	62 Å²	62	68%	0.684	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-60.2	-23.2	176.3	-68.1	-14.7	0	0	0	113.1	H185	H185-N187 VanDerWaalsContact C-N 3.34Å; H185-N187 PolarHBondContact O-N 3.4Å
188	N	83.6	Confident	85.6	Confident	39 Å²	39	63.1 Å²	63.1	21%	0.209	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-91.3	-6.7	-174.8	-67.8	-5.9	0	0	0	113.5	H185 A186 F190 T191 R194 R195	H185-N188 HydrophobicContact CB-CB 3.98Å; H185-N188 PolarHBondContact O-N 3.19Å; A186-N188 PolarHBondContact O-N 2.84Å; A186-N188 VanDerWaalsContact O-N 3.12Å; N188-F190 VanDerWaalsContact C-N 3.33Å; N188-F190 PolarHBondContact O-N 3.47Å; N188-T191 WeakPolarHBondContact CA-OG1 3.33Å; N188-T191 PolarHBondContact O-N 2.83Å; N188-T191 PolarHBondContact O-OG1 3.12Å; N188-R194 PolarHBondContact ND2-O 3.04Å; N188-R195 HydrophobicContact CB-CG 4.41Å
189	F	81.5	Confident	85.5	Confident	5 Å²	5	63.3 Å²	63.3	2%	0.022	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-45.5	-171.7	-76.1	-1.5	0	0	0	114.4	V107 I120 L128 F169 I184 H185 A186 R195	V107-F189 HydrophobicContact CG2-CE2 3.63Å; V107-F189 HydrophobicContact CG2-CZ 4.03Å; I120-F189 HydrophobicContact CD1-CB 4.41Å; I120-F189 HydrophobicContact CD1-CD2 3.84Å; I120-F189 HydrophobicContact CD1-CE2 4.44Å; I120-F189 HydrophobicContact CD1-CG 4.34Å; L128-F189 HydrophobicContact CD1-CD1 3.94Å; L128-F189 HydrophobicContact CD1-CD2 4.13Å; L128-F189 HydrophobicContact CD1-CE1 3.75Å; L128-F189 HydrophobicContact CD1-CE2 3.97Å; L128-F189 HydrophobicContact CD1-CG 4.11Å; L128-F189 HydrophobicContact CD1-CZ 3.77Å; L128-F189 HydrophobicContact CD2-CB 3.73Å; L128-F189 HydrophobicContact CD2-CD1 3.78Å; L128-F189 HydrophobicContact CD2-CD2 4.29Å; L128-F189 HydrophobicContact CD2-CE1 4.43Å; L128-F189 HydrophobicContact CD2-CG 3.67Å; F169-F189 HydrophobicContact CE1-CZ 4.25Å; I184-F189 HydrophobicContact CG2-CE1 3.4Å; I184-F189 HydrophobicContact CG2-CZ 3.55Å; H185-F189 WeakPolarHBondContact O-CD1 3.32Å; A186-F189 HydrophobicContact CB-CE2 4.49Å; A186-F189 HydrophobicContact CB-CZ 4.4Å; A186-F189 VanDerWaalsContact O-CG 3.29Å; A186-F189 WeakPolarHBondContact O-CG 3.42Å; A186-F189 PolarHBondContact O-N 2.9Å; F189-R195 PolarHBondContact O-NE 2.81Å; F189-R195 PolarHBondContact O-NH2 2.84Å
190	F	77.9	Confident	85.3	Confident	139 Å²	139	67.7 Å²	67.7	61%	0.61	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	14.6	-179.4	-55	-68.2	0	0	0	113.4	I120 N188	I120-F190 HydrophobicContact CD1-CE1 4.24Å; I120-F190 HydrophobicContact CD1-CZ 3.91Å; N188-F190 VanDerWaalsContact C-N 3.33Å; N188-F190 PolarHBondContact O-N 3.47Å
191	T	79.4	Confident	85.3	Confident	46 Å²	46	73.2 Å²	73.2	28%	0.282	33%	0.333	S	S	.	.	S	Bend	trans	-105	175	-179.8	77.8	0	0	0	0	111.9	N188 Y193 R195	N188-T191 WeakPolarHBondContact CA-OG1 3.33Å; N188-T191 PolarHBondContact O-N 2.83Å; N188-T191 PolarHBondContact O-OG1 3.12Å; T191-Y193 VanDerWaalsContact C-N 3.33Å; T191-Y193 HydrophobicContact CG2-CD2 4.46Å; T191-Y193 WeakPolarHBondContact OG1-CB 3.2Å; T191-Y193 PolarHBondContact OG1-N 3.04Å; T191-R195 PolarHBondContact O-NH2 3Å
192	K	77.6	Confident	85.3	Confident	220 Å²	220	74.1 Å²	74.1	96%	0.957	34%	0.337	S	S	*	.	S	Bend	trans	-80.8	-10	166.7	-64.9	-174.6	179.1	-178.5	0	113.3
193	Y	81.3	Confident	85.3	Confident	172 Å²	172	80 Å²	80	68%	0.675	37%	0.365	S	S	*	.	S	Bend	trans	-75.7	161.7	-178	-61.7	-65.4	0	0	0	112.4	T191 R195	T191-Y193 VanDerWaalsContact C-N 3.33Å; T191-Y193 HydrophobicContact CG2-CD2 4.46Å; T191-Y193 WeakPolarHBondContact OG1-CB 3.2Å; T191-Y193 PolarHBondContact OG1-N 3.04Å; Y193-R195 PolarHBondContact O-N 3.39Å
194	R	81.7	Confident	85.5	Confident	164 Å²	164	75.8 Å²	75.8	62%	0.619	35%	0.35	S	S	*	.			trans	-61.2	117.8	-177.7	-174.9	172.8	-179.2	175.2	4.8	111	H185 N188 A196 T197	H185-R194 PolarHBondContact CD2-O 3.47Å; N188-R194 PolarHBondContact ND2-O 3.04Å; R194-A196 VanDerWaalsContact CG-O 3.25Å; R194-A196 WeakPolarHBondContact CG-O 3.31Å; R194-A196 PolarHBondContact NE-O 3.35Å; R194-T197 HydrophobicContact CG-CG2 4.33Å
195	R	83.4	Confident	85.6	Confident	71 Å²	71	80.1 Å²	80.1	27%	0.268	38%	0.378	S	S	.	.	S	Bend	trans	-82.7	-19.6	-175.3	-62.2	171.4	-172.7	161.8	-0.1	114.4	L128 H185 N188 F189 T191 Y193	L128-R195 VanDerWaalsContact O-CD 3.3Å; L128-R195 WeakPolarHBondContact O-CD 3.39Å; L128-R195 PolarHBondContact O-NH1 2.84Å; H185-R195 PolarHBondContact N-O 3.33Å; N188-R195 HydrophobicContact CB-CG 4.41Å; F189-R195 PolarHBondContact O-NE 2.81Å; F189-R195 PolarHBondContact O-NH2 2.84Å; T191-R195 PolarHBondContact O-NH2 3Å; Y193-R195 PolarHBondContact O-N 3.39Å
196	A	85.8	Confident	85.8	Confident	10 Å²	10	79.4 Å²	79.4	8%	0.083	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	145.5	171.8	0	0	0	0	0	112.3	F131 R183 I184 R194	F131-A196 HydrophobicContact CE1-CB 4.12Å; F131-A196 HydrophobicContact CE2-CB 4.5Å; F131-A196 HydrophobicContact CZ-CB 3.62Å; R183-A196 CarbonylContact O-C 3.54Å; R183-A196 WeakPolarHBondContact O-CA 3.31Å; R183-A196 WeakPolarHBondContact O-CB 3.41Å; I184-A196 HydrophobicContact CD1-CB 3.64Å; R194-A196 VanDerWaalsContact CG-O 3.25Å; R194-A196 WeakPolarHBondContact CG-O 3.31Å; R194-A196 PolarHBondContact NE-O 3.35Å
197	T	88.9	Confident	86.3	Confident	37 Å²	37	80 Å²	80	23%	0.227	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	135.3	175	44.2	0	0	0	0	109.8	L182 R183 H185 R194 I199	L182-T197 CarbonylContact C-O 3.57Å; L182-T197 VanDerWaalsContact CA-O 3.31Å; L182-T197 WeakPolarHBondContact CA-O 3.33Å; R183-T197 PolarHBondContact N-O 3.11Å; R183-T197 PolarHBondContact O-N 2.94Å; H185-T197 WeakPolarHBondContact NE2-CG2 3.36Å; H185-T197 PolarHBondContact NE2-OG1 2.76Å; R194-T197 HydrophobicContact CG-CG2 4.33Å; T197-I199 PolarHBondContact O-N 3.08Å
198	V	89.6	Confident	86.9	Confident	65 Å²	65	74 Å²	74	39%	0.394	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	118.6	167.9	179.4	0	0	0	0	106.5	L182 Q201	L182-V198 HydrophobicContact CD2-CB 4.4Å; L182-V198 HydrophobicContact CD2-CG2 3.67Å; V198-Q201 HydrophobicContact CG1-CG 3.97Å
199	I	89.9	Confident	87.3	Confident	69 Å²	69	72.1 Å²	72.1	35%	0.354	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-43.4	175.9	-45.5	-178.1	0	0	0	109.6	R170 I181 R183 T197	R170-I199 HydrophobicContact CG-CD1 4.13Å; I181-I199 HydrophobicContact CG2-CB 4.25Å; I181-I199 HydrophobicContact CG2-CD1 3.91Å; I181-I199 HydrophobicContact CG2-CG1 4.3Å; I181-I199 PolarHBondContact O-N 3.42Å; R183-I199 HydrophobicContact CB-CD1 3.83Å; R183-I199 HydrophobicContact CB-CG1 3.94Å; T197-I199 PolarHBondContact O-N 3.08Å
200	R	89.5	Confident	87.8	Confident	94 Å²	94	72.5 Å²	72.5	36%	0.355	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	152.8	-176.8	-167.3	168.9	-66	-167.1	8.4	111.1	I181 L202 E234 K235	I181-R200 PolarHBondContact N-O 3.25Å; I181-R200 PolarHBondContact O-N 2.85Å; R200-L202 HydrophobicContact CG-CD2 3.97Å; R200-L202 HydrophobicContact CG-CG 4.21Å; R200-E234 PolarHBondContact NH1-O 2.96Å; R200-E234 PolarHBondContact NH2-O 3.39Å; R200-K235 VanDerWaalsContact NH1-C 3.28Å; R200-K235 PolarHBondContact NH1-O 2.8Å
201	Q	91.8	Very high	88.5	Confident	127 Å²	127	66 Å²	66	59%	0.593	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.6	160.6	-67.7	178.7	-20.4	0	0	107.9	L179 A180 V198	L179-Q201 CarbonylContact O-C 3.43Å; L179-Q201 WeakPolarHBondContact O-CA 3.49Å; A180-Q201 HydrophobicContact CB-CG 4.09Å; V198-Q201 HydrophobicContact CG1-CG 3.97Å
202	L	91.3	Very high	89	Confident	22 Å²	22	64.3 Å²	64.3	12%	0.115	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.9	-177.9	-64.6	177.5	0	0	0	108.6	L179 R200 L204 I231 G236	L179-L202 HydrophobicContact CD2-CD1 4.22Å; L179-L202 PolarHBondContact N-O 3.47Å; L179-L202 PolarHBondContact O-N 3.44Å; R200-L202 HydrophobicContact CG-CD2 3.97Å; R200-L202 HydrophobicContact CG-CG 4.21Å; L202-L204 HydrophobicContact CB-CD2 4.46Å; L202-I231 HydrophobicContact CD1-CG2 4.16Å; L202-G236 VanDerWaalsContact CD2-CA 3.48Å
203	E	91.9	Very high	89.6	Confident	129 Å²	129	53.9 Å²	53.9	60%	0.603	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.4	164.9	-169.5	145.9	-146.5	0	0	107.4	N177 K178	N177-E203 WeakPolarHBondContact ND2-CG 3.36Å; N177-E203 PolarHBondContact ND2-OE1 2.78Å; K178-E203 WeakPolarHBondContact CE-OE1 3.38Å; K178-E203 IonicContact NZ-OE1 2.8Å; K178-E203 PolarHBondContact NZ-OE1 3.36Å; K178-E203 IonicContact NZ-OE2 2.73Å
204	L	91.8	Very high	89.7	Confident	9 Å²	9	46 Å²	46	5%	0.047	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	152.9	-172.4	-58.9	175.7	0	0	0	109.2	N177 L179 L202 C206 L208 I231 A238	N177-L204 WeakPolarHBondContact O-CB 3.37Å; N177-L204 PolarHBondContact O-N 3.41Å; L179-L204 HydrophobicContact CB-CD1 4Å; L179-L204 HydrophobicContact CB-CG 4.46Å; L202-L204 HydrophobicContact CB-CD2 4.46Å; L204-C206 PolarHBondContact O-N 2.83Å; L204-L208 HydrophobicContact CD1-CD1 3.41Å; L204-L208 VanDerWaalsContact CD1-CD1 3.41Å; L204-L208 HydrophobicContact CD1-CG 3.88Å; L204-I231 HydrophobicContact CD1-CD1 3.97Å; L204-I231 HydrophobicContact CD2-CD1 4.04Å; L204-I231 HydrophobicContact CD2-CG1 4.25Å; L204-A238 HydrophobicContact CD2-CB 3.87Å
205	P	91	Very high	89.6	Confident	96 Å²	96	38.9 Å²	38.9	62%	0.623	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	-5.1	177.4	31.8	-38.1	0	0	0	113.8	W229	P205-W229 HydrophobicContact CB-CH2 4.34Å; P205-W229 HydrophobicContact CB-CZ3 4.45Å; P205-W229 HydrophobicContact CG-CE3 4.12Å; P205-W229 HydrophobicContact CG-CH2 3.68Å; P205-W229 HydrophobicContact CG-CZ3 3.37Å
206	C	91.1	Very high	89.4	Confident	17 Å²	17	39.1 Å²	39.1	12%	0.115	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	156.2	-176.2	64.4	0	0	0	0	111.4	N177 L204 D223 W229	N177-C206 WeakPolarHBondContact CA-O 3.49Å; L204-C206 PolarHBondContact O-N 2.83Å; C206-D223 HydrophobicContact CB-CB 4.47Å; C206-W229 HydrophobicContact CB-CH2 4.38Å; C206-W229 HydrophobicContact CB-CZ2 3.7Å; C206-W229 PolarHBondContact SG-NE1 2.8Å; C206-W229 VanDerWaalsContact SG-NE1 3.38Å
207	S	92.3	Very high	89.2	Confident	22 Å²	22	41.7 Å²	41.7	15%	0.154	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	117	175.2	-75.3	0	0	0	0	111.8	E136 G176 N177 D223	E136-S207 PolarHBondContact OE2-OG 3.07Å; G176-S207 VanDerWaalsContact C-CA 3.44Å; G176-S207 WeakPolarHBondContact CA-OG 3.4Å; G176-S207 WeakPolarHBondContact O-CA 3.17Å; N177-S207 PolarHBondContact N-OG 3.39Å; N177-S207 VanDerWaalsContact N-OG 3.12Å; S207-D223 WeakPolarHBondContact O-CA 3.46Å; S207-D223 WeakPolarHBondContact O-CB 3.22Å
208	L	92.9	Very high	89.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	136.4	-175	-61	-176.2	0	0	0	112.3	G176 L204 I211 D223 I231	G176-L208 PolarHBondContact O-N 3.07Å; L204-L208 HydrophobicContact CD1-CD1 3.41Å; L204-L208 VanDerWaalsContact CD1-CD1 3.41Å; L204-L208 HydrophobicContact CD1-CG 3.88Å; L208-I211 HydrophobicContact CB-CG2 4.46Å; L208-I211 HydrophobicContact CD1-CG2 3.66Å; L208-D223 HydrophobicContact CD2-CB 4.41Å; L208-I231 HydrophobicContact CD1-CD1 3.89Å
209	V	92.5	Very high	89.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-24.6	172.9	-61.6	0	0	0	0	112.8	F139 P140 I222 D223 L248 F274	F139-V209 HydrophobicContact CD1-CG1 4.09Å; P140-V209 HydrophobicContact CG-CB 4.34Å; V209-I222 WeakPolarHBondContact CG2-O 3.45Å; V209-I222 PolarHBondContact N-O 3.47Å; V209-D223 WeakPolarHBondContact CG2-O 3.4Å; V209-L248 HydrophobicContact CG2-CD1 3.94Å; V209-F274 WeakPolarHBondContact CB-O 3.2Å; V209-F274 HydrophobicContact CG1-CB 3.88Å
210	N	92.3	Very high	89.4	Confident	13 Å²	13	35.5 Å²	35.5	7%	0.07	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	153.2	177.8	-145.7	-41.1	0	0	0	111.7	G221 I222 C276 V280	N210-G221 WeakPolarHBondContact O-CA 3.32Å; N210-I222 PolarHBondContact N-O 2.81Å; N210-I222 PolarHBondContact O-N 3.43Å; N210-C276 PolarHBondContact ND2-O 2.96Å; N210-V280 HydrophobicContact CB-CG2 4.29Å; N210-V280 WeakPolarHBondContact ND2-CB 3.41Å
211	I	92.8	Very high	89.6	Confident	2 Å²	2	31 Å²	31	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	143.4	175	65.9	-178.5	0	0	0	112.1	A142 C172 S174 L179 L208 V220	A142-I211 HydrophobicContact CB-CD1 4.47Å; A142-I211 HydrophobicContact CB-CG1 3.89Å; C172-I211 HydrophobicContact CB-CD1 4.07Å; C172-I211 VanDerWaalsContact SG-CD1 3.5Å; S174-I211 VanDerWaalsContact OG-CG2 3.24Å; S174-I211 WeakPolarHBondContact OG-CG2 3.46Å; L179-I211 HydrophobicContact CD1-CD1 4.46Å; L179-I211 HydrophobicContact CD1-CG2 4.47Å; L208-I211 HydrophobicContact CB-CG2 4.46Å; L208-I211 HydrophobicContact CD1-CG2 3.66Å; I211-V220 CarbonylContact C-O 3.31Å; I211-V220 WeakPolarHBondContact CA-O 3.36Å
212	H	90.5	Very high	89.6	Confident	11 Å²	11	25 Å²	25	5%	0.051	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	149.7	168.6	-164.9	-74	0	0	0	111.1	I219 V220 S282 L290	H212-I219 CarbonylContact O-C 3.41Å; H212-I219 WeakPolarHBondContact O-CA 3.49Å; H212-I219 VanDerWaalsContact O-CG2 3.32Å; H212-I219 WeakPolarHBondContact O-CG2 3.16Å; H212-V220 PolarHBondContact N-O 2.74Å; H212-V220 PolarHBondContact O-N 3.46Å; H212-S282 WeakPolarHBondContact NE2-CB 3.31Å; H212-S282 PolarHBondContact NE2-OG 2.82Å; H212-L290 HydrophobicContact CB-CD1 3.86Å; H212-L290 HydrophobicContact CB-CD2 3.77Å; H212-L290 VanDerWaalsContact ND1-CD2 3.34Å; H212-L290 WeakPolarHBondContact ND1-CD2 3.35Å
213	W	88.8	Confident	89.7	Confident	1 Å²	1	24.5 Å²	24.5	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	107.8	178.5	-161.1	-35.2	0	0	0	108	S144 W146 R170 C172 I181 S215 I219 P233	S144-W213 PolarHBondContact OG-N 3.35Å; W146-W213 HydrophobicContact CB-CB 4.18Å; W146-W213 HydrophobicContact CB-CD2 3.78Å; W146-W213 HydrophobicContact CB-CG 3.56Å; W146-W213 VanDerWaalsContact CE3-O 3.25Å; W146-W213 AromaticContact CG-CD1 3.84Å; W146-W213 HydrophobicContact CG-CG 4.33Å; R170-W213 HydrophobicContact CB-CH2 3.59Å; R170-W213 HydrophobicContact CB-CZ2 4.25Å; R170-W213 HydrophobicContact CB-CZ3 3.82Å; R170-W213 HydrophobicContact CG-CH2 4.42Å; C172-W213 HydrophobicContact CB-CE3 3.77Å; C172-W213 HydrophobicContact CB-CZ3 3.79Å; C172-W213 VanDerWaalsContact SG-CE3 3.55Å; I181-W213 HydrophobicContact CG2-CH2 3.76Å; I181-W213 HydrophobicContact CG2-CZ3 4.13Å; W213-S215 PolarHBondContact NE1-O 3.2Å; W213-I219 HydrophobicContact CB-CG1 4.38Å; W213-I219 HydrophobicContact CD2-CD1 3.92Å; W213-I219 HydrophobicContact CD2-CG1 3.72Å; W213-I219 HydrophobicContact CE3-CD1 3.94Å; W213-I219 HydrophobicContact CE3-CG1 4.23Å; W213-I219 HydrophobicContact CG-CD1 4.5Å; W213-I219 HydrophobicContact CG-CG1 3.8Å; W213-I219 HydrophobicContact CH2-CD1 4.14Å; W213-I219 HydrophobicContact CZ2-CD1 4.15Å; W213-I219 HydrophobicContact CZ2-CG1 4.39Å; W213-I219 HydrophobicContact CZ3-CD1 4.05Å; W213-P233 HydrophobicContact CH2-CB 4.37Å; W213-P233 HydrophobicContact CZ2-CB 4Å; W213-P233 HydrophobicContact CZ2-CG 4.01Å
214	M	84.6	Confident	89.6	Confident	7 Å²	7	19.6 Å²	19.6	3%	0.034	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-25.7	-172.5	-75.1	-155.4	-76.4	0	0	114.7	W146 M218 V220 E288 L290	W146-M214 WeakPolarHBondContact CH2-O 3.39Å; W146-M214 VanDerWaalsContact CZ3-C 3.49Å; W146-M214 WeakPolarHBondContact CZ3-O 3.17Å; M214-M218 HydrophobicContact CE-SD 4.02Å; M214-M218 PolarHBondContact N-O 2.95Å; M214-V220 HydrophobicContact CE-CB 4.04Å; M214-V220 HydrophobicContact CE-CG2 3.37Å; M214-E288 VanDerWaalsContact SD-O 3.4Å; M214-L290 HydrophobicContact CE-CD1 4.24Å; M214-L290 HydrophobicContact CE-CG 4.45Å; M214-L290 HydrophobicContact CG-CD1 4.42Å; M214-L290 HydrophobicContact CG-CD2 3.91Å; M214-L290 HydrophobicContact CG-CG 4.24Å; M214-L290 HydrophobicContact SD-CD1 4.04Å; M214-L290 HydrophobicContact SD-CD2 3.93Å; M214-L290 HydrophobicContact SD-CG 3.67Å
215	S	79.6	Confident	89.5	Confident	15 Å²	15	27.1 Å²	27.1	11%	0.105	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	171.4	172.8	81.6	0	0	0	0	111.8	W213 H217 M218	W213-S215 PolarHBondContact NE1-O 3.2Å; S215-H217 PolarHBondContact O-N 2.64Å; S215-H217 PolarHBondContact OG-N 2.8Å; S215-M218 PolarHBondContact N-O 3.45Å; S215-M218 PolarHBondContact O-N 2.73Å; S215-M218 VanDerWaalsContact O-N 3.11Å; S215-M218 WeakPolarHBondContact OG-CB 3.34Å; S215-M218 PolarHBondContact OG-N 2.91Å
216	N	77.6	Confident	89.3	Confident	75 Å²	75	22.6 Å²	22.6	40%	0.401	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-26.7	175.7	-72.4	-9.3	0	0	0	113.9	W146 P233	W146-N216 VanDerWaalsContact CD1-OD1 3.24Å; W146-N216 PolarHBondContact NE1-OD1 3.46Å; N216-P233 WeakPolarHBondContact O-CG 3.32Å
217	H	81.9	Confident	89.4	Confident	64 Å²	64	21.8 Å²	21.8	30%	0.296	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	9.6	-171.5	-49	-53.3	0	0	0	113	S215 P233 E234 R335	S215-H217 PolarHBondContact O-N 2.64Å; S215-H217 PolarHBondContact OG-N 2.8Å; H217-P233 VanDerWaalsContact C-CD 3.48Å; H217-E234 IonicContact CE1-OE1 3.5Å; H217-E234 PolarHBondContact CE1-OE1 2.92Å; H217-E234 IonicContact CE1-OE2 3.55Å; H217-E234 PolarHBondContact CE1-OE2 3.23Å; H217-E234 VanDerWaalsContact CE1-OE2 3.24Å; H217-E234 IonicContact ND1-OE1 2.66Å; H217-E234 PolarHBondContact ND1-OE1 3.32Å; H217-E234 IonicContact ND1-OE2 3.79Å; H217-E234 PolarHBondContact ND1-OE2 2.96Å; H217-R335 PolarHBondContact ND1-NH1 3.26Å; H217-R335 VanDerWaalsContact ND1-NH1 3.13Å
218	M	87.6	Confident	89.4	Confident	33 Å²	33	21.1 Å²	21.1	16%	0.163	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	114.3	-177.1	-172.5	-178	-76	0	0	111.5	M214 S215 V220 Q230 K303	M214-M218 HydrophobicContact CE-SD 4.02Å; M214-M218 PolarHBondContact N-O 2.95Å; S215-M218 PolarHBondContact N-O 3.45Å; S215-M218 PolarHBondContact O-N 2.73Å; S215-M218 VanDerWaalsContact O-N 3.11Å; S215-M218 WeakPolarHBondContact OG-CB 3.34Å; S215-M218 PolarHBondContact OG-N 2.91Å; M218-V220 HydrophobicContact CG-CG2 4.47Å; M218-Q230 HydrophobicContact CE-CG 4.29Å; M218-Q230 HydrophobicContact CG-CG 4.15Å; M218-K303 HydrophobicContact CE-CD 4.15Å; M218-K303 HydrophobicContact CE-CG 4.3Å; M218-K303 HydrophobicContact SD-CB 4.43Å; M218-K303 HydrophobicContact SD-CD 4.21Å; M218-K303 HydrophobicContact SD-CG 4.45Å
219	I	92	Very high	89.5	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	139.1	160.8	-63.7	172.6	0	0	0	106.3	C172 L179 I181 H212 W213 I231 P233	C172-I219 HydrophobicContact CB-CD1 3.88Å; L179-I219 HydrophobicContact CD1-CG2 4.37Å; I181-I219 HydrophobicContact CD1-CD1 4.48Å; H212-I219 CarbonylContact O-C 3.41Å; H212-I219 WeakPolarHBondContact O-CA 3.49Å; H212-I219 VanDerWaalsContact O-CG2 3.32Å; H212-I219 WeakPolarHBondContact O-CG2 3.16Å; W213-I219 HydrophobicContact CB-CG1 4.38Å; W213-I219 HydrophobicContact CD2-CD1 3.92Å; W213-I219 HydrophobicContact CD2-CG1 3.72Å; W213-I219 HydrophobicContact CE3-CD1 3.94Å; W213-I219 HydrophobicContact CE3-CG1 4.23Å; W213-I219 HydrophobicContact CG-CD1 4.5Å; W213-I219 HydrophobicContact CG-CG1 3.8Å; W213-I219 HydrophobicContact CH2-CD1 4.14Å; W213-I219 HydrophobicContact CZ2-CD1 4.15Å; W213-I219 HydrophobicContact CZ2-CG1 4.39Å; W213-I219 HydrophobicContact CZ3-CD1 4.05Å; I219-I231 HydrophobicContact CB-CB 4.17Å; I219-I231 PolarHBondContact N-O 3.36Å; I219-I231 PolarHBondContact O-N 2.95Å; I219-P233 HydrophobicContact CD1-CB 3.98Å; I219-P233 HydrophobicContact CD1-CG 4.49Å
220	V	92.8	Very high	89.5	Confident	8 Å²	8	25.8 Å²	25.8	5%	0.048	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.7	168.7	161.7	0	0	0	0	109.1	I211 H212 M214 M218 I222 V228 W229 L290	I211-V220 CarbonylContact C-O 3.31Å; I211-V220 WeakPolarHBondContact CA-O 3.36Å; H212-V220 PolarHBondContact N-O 2.74Å; H212-V220 PolarHBondContact O-N 3.46Å; M214-V220 HydrophobicContact CE-CB 4.04Å; M214-V220 HydrophobicContact CE-CG2 3.37Å; M218-V220 HydrophobicContact CG-CG2 4.47Å; V220-I222 HydrophobicContact CG1-CG1 4.43Å; V220-V228 HydrophobicContact CG1-CG1 3.86Å; V220-W229 CarbonylContact C-O 3.58Å; V220-W229 WeakPolarHBondContact CA-O 3.42Å; V220-L290 HydrophobicContact CB-CD1 4.4Å; V220-L290 HydrophobicContact CG1-CD1 4.22Å
221	G	93.8	Very high	89.5	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	151.4	167.1	0	0	0	0	0	110.5	N210 W229	N210-G221 WeakPolarHBondContact O-CA 3.32Å; G221-W229 PolarHBondContact N-O 2.89Å; G221-W229 PolarHBondContact O-N 3.15Å
222	I	93.8	Very high	89.4	Confident	2 Å²	2	26 Å²	26	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.9	168.5	-46.4	176.7	0	0	0	107.2	V209 N210 V220 A227 L246 L248 V280 V292	V209-I222 WeakPolarHBondContact CG2-O 3.45Å; V209-I222 PolarHBondContact N-O 3.47Å; N210-I222 PolarHBondContact N-O 2.81Å; N210-I222 PolarHBondContact O-N 3.43Å; V220-I222 HydrophobicContact CG1-CG1 4.43Å; I222-A227 WeakPolarHBondContact CA-O 3.42Å; I222-L246 HydrophobicContact CD1-CD1 3.97Å; I222-L246 HydrophobicContact CG2-CD1 4.36Å; I222-L248 HydrophobicContact CG2-CD1 3.81Å; I222-L248 HydrophobicContact CG2-CG 4.49Å; I222-V280 HydrophobicContact CD1-CG1 4.19Å; I222-V280 HydrophobicContact CD1-CG2 3.95Å; I222-V292 HydrophobicContact CD1-CG2 4.46Å
223	D	93.1	Very high	89.3	Confident	11 Å²	11	25.8 Å²	25.8	6%	0.059	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	178.1	178.6	68.8	29.1	0	0	0	112.9	C206 S207 L208 V209 F225 G226 A227 W229	C206-D223 HydrophobicContact CB-CB 4.47Å; S207-D223 WeakPolarHBondContact O-CA 3.46Å; S207-D223 WeakPolarHBondContact O-CB 3.22Å; L208-D223 HydrophobicContact CD2-CB 4.41Å; V209-D223 WeakPolarHBondContact CG2-O 3.4Å; D223-F225 PolarHBondContact O-N 2.79Å; D223-F225 PolarHBondContact OD1-N 3.01Å; D223-G226 PolarHBondContact O-N 2.67Å; D223-G226 VanDerWaalsContact O-N 3.08Å; D223-G226 PolarHBondContact OD1-N 3.48Å; D223-A227 PolarHBondContact N-O 3.5Å; D223-A227 PolarHBondContact OD1-N 3.35Å; D223-A227 WeakPolarHBondContact OD2-CB 3.41Å; D223-W229 PolarHBondContact OD2-NE1 3.06Å
224	S	89.1	Confident	89.1	Confident	26 Å²	26	28.8 Å²	28.8	18%	0.182	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.5	-177.5	51.7	0	0	0	0	114.7
225	F	89.1	Confident	89	Confident	166 Å²	166	34.6 Å²	34.6	73%	0.728	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-7.3	176.2	-59	-74.7	0	0	0	112.3	D223	D223-F225 PolarHBondContact O-N 2.79Å; D223-F225 PolarHBondContact OD1-N 3.01Å
226	G	88.1	Confident	89.3	Confident	1 Å²	1	35 Å²	35	1%	0.01	17%	0.172	C	C	.	.			trans	94.4	1.6	-176.8	0	0	0	0	0	114.6	D223 L246	D223-G226 PolarHBondContact O-N 2.67Å; D223-G226 VanDerWaalsContact O-N 3.08Å; D223-G226 PolarHBondContact OD1-N 3.48Å; G226-L246 WeakPolarHBondContact CA-O 3.32Å; G226-L246 WeakPolarHBondContact O-CB 3.24Å; G226-L246 PolarHBondContact O-N 3.42Å
227	A	92.4	Very high	89.7	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.008	18%	0.178	C	C	.	.			trans	-71.4	139.9	-176.7	0	0	0	0	0	111.4	I222 D223 W229 K240 D245	I222-A227 WeakPolarHBondContact CA-O 3.42Å; D223-A227 PolarHBondContact N-O 3.5Å; D223-A227 PolarHBondContact OD1-N 3.35Å; D223-A227 WeakPolarHBondContact OD2-CB 3.41Å; A227-W229 VanDerWaalsContact O-CD1 3.32Å; A227-K240 HydrophobicContact CB-CD 3.97Å; A227-K240 VanDerWaalsContact CB-NZ 3.31Å; A227-D245 VanDerWaalsContact CA-OD1 3.29Å; A227-D245 WeakPolarHBondContact CA-OD1 3.39Å; A227-D245 WeakPolarHBondContact CB-OD1 3.29Å
228	V	92.9	Very high	90.2	Very high	8 Å²	8	34 Å²	34	5%	0.048	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.2	-176.9	-177.9	0	0	0	0	110.6	V220 Q241 L246 L301	V220-V228 HydrophobicContact CG1-CG1 3.86Å; V228-Q241 HydrophobicContact CB-CB 4.49Å; V228-Q241 HydrophobicContact CG1-CG 4.39Å; V228-Q241 PolarHBondContact O-N 3.06Å; V228-L246 HydrophobicContact CG2-CD1 3.47Å; V228-L246 VanDerWaalsContact CG2-CD1 3.47Å; V228-L246 HydrophobicContact CG2-CG 4.1Å; V228-L301 HydrophobicContact CG1-CD1 4.45Å; V228-L301 HydrophobicContact CG2-CD1 4.13Å
229	W	93.5	Very high	90.3	Very high	34 Å²	34	39.1 Å²	39.1	13%	0.129	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121.6	-179	-69.2	85.3	0	0	0	111.3	P205 C206 V220 G221 D223 A227 K240	P205-W229 HydrophobicContact CB-CH2 4.34Å; P205-W229 HydrophobicContact CB-CZ3 4.45Å; P205-W229 HydrophobicContact CG-CE3 4.12Å; P205-W229 HydrophobicContact CG-CH2 3.68Å; P205-W229 HydrophobicContact CG-CZ3 3.37Å; C206-W229 HydrophobicContact CB-CH2 4.38Å; C206-W229 HydrophobicContact CB-CZ2 3.7Å; C206-W229 PolarHBondContact SG-NE1 2.8Å; C206-W229 VanDerWaalsContact SG-NE1 3.38Å; V220-W229 CarbonylContact C-O 3.58Å; V220-W229 WeakPolarHBondContact CA-O 3.42Å; G221-W229 PolarHBondContact N-O 2.89Å; G221-W229 PolarHBondContact O-N 3.15Å; D223-W229 PolarHBondContact OD2-NE1 3.06Å; A227-W229 VanDerWaalsContact O-CD1 3.32Å; W229-K240 HydrophobicContact CD2-CB 4.01Å; W229-K240 HydrophobicContact CE3-CB 3.95Å; W229-K240 HydrophobicContact CH2-CB 3.81Å; W229-K240 HydrophobicContact CZ2-CB 3.87Å; W229-K240 HydrophobicContact CZ2-CD 4.4Å; W229-K240 HydrophobicContact CZ2-CG 4.47Å; W229-K240 HydrophobicContact CZ3-CB 3.83Å
230	Q	92.4	Very high	90.3	Very high	64 Å²	64	43.3 Å²	43.3	30%	0.299	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	125.3	170.8	-175.4	-169.6	-11.6	0	0	109.5	M218 A238 K239 Q241	M218-Q230 HydrophobicContact CE-CG 4.29Å; M218-Q230 HydrophobicContact CG-CG 4.15Å; Q230-A238 CarbonylContact O-C 3.56Å; Q230-A238 WeakPolarHBondContact O-CA 3.47Å; Q230-K239 PolarHBondContact N-O 3.41Å; Q230-K239 PolarHBondContact O-N 3.14Å; Q230-Q241 HydrophobicContact CB-CG 4.24Å
231	I	93.7	Very high	90	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122	-178.6	-62.5	161	0	0	0	108.8	L179 L202 L204 L208 I219 P233 T237 A238	L179-I231 HydrophobicContact CD1-CD1 4.22Å; L202-I231 HydrophobicContact CD1-CG2 4.16Å; L204-I231 HydrophobicContact CD1-CD1 3.97Å; L204-I231 HydrophobicContact CD2-CD1 4.04Å; L204-I231 HydrophobicContact CD2-CG1 4.25Å; L208-I231 HydrophobicContact CD1-CD1 3.89Å; I219-I231 HydrophobicContact CB-CB 4.17Å; I219-I231 PolarHBondContact N-O 3.36Å; I219-I231 PolarHBondContact O-N 2.95Å; I231-P233 WeakPolarHBondContact O-CD 3.37Å; I231-T237 WeakPolarHBondContact CA-O 3.49Å; I231-A238 HydrophobicContact CG1-CB 3.92Å
232	D	90.1	Very high	89.4	Confident	17 Å²	17	53.6 Å²	53.6	9%	0.091	27%	0.27	C	S	.	.			trans	-86.8	113.1	172.6	-174.6	-38.7	0	0	0	109.1	E234 K235 G236 T237 R335	D232-E234 PolarHBondContact O-N 3.4Å; D232-E234 WeakPolarHBondContact OD1-CA 3.4Å; D232-E234 WeakPolarHBondContact OD1-CB 3.49Å; D232-E234 PolarHBondContact OD1-N 3.42Å; D232-K235 HydrophobicContact CB-CB 4.07Å; D232-K235 PolarHBondContact OD1-N 3.13Å; D232-K235 WeakPolarHBondContact OD2-CD 3.41Å; D232-K235 WeakPolarHBondContact OD2-CG 3.25Å; D232-G236 VanDerWaalsContact O-CA 3.28Å; D232-G236 WeakPolarHBondContact O-CA 3.32Å; D232-G236 PolarHBondContact O-N 3.36Å; D232-T237 PolarHBondContact N-O 3.19Å; D232-R335 IonicContact OD2-NH1 3.62Å
233	P	87.5	Confident	88.9	Confident	7 Å²	7	57.3 Å²	57.3	5%	0.045	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-14.3	-177.6	28.7	-35	0	0	0	114.5	I181 W213 N216 H217 I219 I231	I181-P233 HydrophobicContact CD1-CB 3.49Å; I181-P233 VanDerWaalsContact CD1-CB 3.49Å; W213-P233 HydrophobicContact CH2-CB 4.37Å; W213-P233 HydrophobicContact CZ2-CB 4Å; W213-P233 HydrophobicContact CZ2-CG 4.01Å; N216-P233 WeakPolarHBondContact O-CG 3.32Å; H217-P233 VanDerWaalsContact C-CD 3.48Å; I219-P233 HydrophobicContact CD1-CB 3.98Å; I219-P233 HydrophobicContact CD1-CG 4.49Å; I231-P233 WeakPolarHBondContact O-CD 3.37Å
234	E	84.8	Confident	88.5	Confident	64 Å²	64	63.1 Å²	63.1	30%	0.299	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-40.2	-178.8	-64.4	178.6	160.4	0	0	112.2	R200 H217 D232 R335	R200-E234 PolarHBondContact NH1-O 2.96Å; R200-E234 PolarHBondContact NH2-O 3.39Å; H217-E234 IonicContact CE1-OE1 3.5Å; H217-E234 PolarHBondContact CE1-OE1 2.92Å; H217-E234 IonicContact CE1-OE2 3.55Å; H217-E234 PolarHBondContact CE1-OE2 3.23Å; H217-E234 VanDerWaalsContact CE1-OE2 3.24Å; H217-E234 IonicContact ND1-OE1 2.66Å; H217-E234 PolarHBondContact ND1-OE1 3.32Å; H217-E234 IonicContact ND1-OE2 3.79Å; H217-E234 PolarHBondContact ND1-OE2 2.96Å; D232-E234 PolarHBondContact O-N 3.4Å; D232-E234 WeakPolarHBondContact OD1-CA 3.4Å; D232-E234 WeakPolarHBondContact OD1-CB 3.49Å; D232-E234 PolarHBondContact OD1-N 3.42Å; E234-R335 IonicContact OE2-CZ 3.31Å; E234-R335 VanDerWaalsContact OE2-CZ 3.3Å; E234-R335 IonicContact OE2-NH1 3.26Å; E234-R335 PolarHBondContact OE2-NH1 2.71Å; E234-R335 IonicContact OE2-NH2 3.7Å; E234-R335 PolarHBondContact OE2-NH2 3.4Å
235	K	84	Confident	88.2	Confident	129 Å²	129	65 Å²	65	56%	0.561	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-31.4	173.3	-62.3	-175.8	-174.5	-177	0	111.7	R200 D232 T237	R200-K235 VanDerWaalsContact NH1-C 3.28Å; R200-K235 PolarHBondContact NH1-O 2.8Å; D232-K235 HydrophobicContact CB-CB 4.07Å; D232-K235 PolarHBondContact OD1-N 3.13Å; D232-K235 WeakPolarHBondContact OD2-CD 3.41Å; D232-K235 WeakPolarHBondContact OD2-CG 3.25Å; K235-T237 VanDerWaalsContact C-N 3.3Å; K235-T237 HydrophobicContact CB-CG2 4.15Å
236	G	84.4	Confident	88.1	Confident	23 Å²	23	57.3 Å²	57.3	24%	0.237	29%	0.291	C	S	.	.			trans	80.5	10.9	-174.9	0	0	0	0	0	114	L202 D232	L202-G236 VanDerWaalsContact CD2-CA 3.48Å; D232-G236 VanDerWaalsContact O-CA 3.28Å; D232-G236 WeakPolarHBondContact O-CA 3.32Å; D232-G236 PolarHBondContact O-N 3.36Å
237	T	87.4	Confident	88.1	Confident	84 Å²	84	62.5 Å²	62.5	52%	0.515	31%	0.314	S	S	.	.			trans	-88.3	136.6	-179.1	52	0	0	0	0	111.1	I231 D232 K235	I231-T237 WeakPolarHBondContact CA-O 3.49Å; D232-T237 PolarHBondContact N-O 3.19Å; K235-T237 VanDerWaalsContact C-N 3.3Å; K235-T237 HydrophobicContact CB-CG2 4.15Å
238	A	91.1	Very high	87.9	Confident	34 Å²	34	62.7 Å²	62.7	28%	0.281	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137.9	171.9	0	0	0	0	0	110.5	L204 Q230 I231	L204-A238 HydrophobicContact CD2-CB 3.87Å; Q230-A238 CarbonylContact O-C 3.56Å; Q230-A238 WeakPolarHBondContact O-CA 3.47Å; I231-A238 HydrophobicContact CG1-CB 3.92Å
239	K	90.7	Very high	87.6	Confident	141 Å²	141	64.4 Å²	64.4	61%	0.613	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	123.3	179	-179.2	-179.7	176.6	-172.5	0	110.7	Q230 Q241	Q230-K239 PolarHBondContact N-O 3.41Å; Q230-K239 PolarHBondContact O-N 3.14Å; K239-Q241 PolarHBondContact O-N 3.13Å; K239-Q241 PolarHBondContact O-NE2 2.83Å
240	K	91.1	Very high	87.4	Confident	88 Å²	88	65.5 Å²	65.5	38%	0.383	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	131.5	167.8	179.9	168.7	175.2	162	0	108.6	A227 W229 D245	A227-K240 HydrophobicContact CB-CD 3.97Å; A227-K240 VanDerWaalsContact CB-NZ 3.31Å; W229-K240 HydrophobicContact CD2-CB 4.01Å; W229-K240 HydrophobicContact CE3-CB 3.95Å; W229-K240 HydrophobicContact CH2-CB 3.81Å; W229-K240 HydrophobicContact CZ2-CB 3.87Å; W229-K240 HydrophobicContact CZ2-CD 4.4Å; W229-K240 HydrophobicContact CZ2-CG 4.47Å; W229-K240 HydrophobicContact CZ3-CB 3.83Å; K240-D245 IonicContact NZ-OD1 3.77Å; K240-D245 PolarHBondContact NZ-OD1 3.15Å; K240-D245 IonicContact NZ-OD2 3.49Å
241	Q	88.2	Confident	87	Confident	49 Å²	49	63.1 Å²	63.1	23%	0.229	32%	0.322	C	S	.	.			trans	-84.3	146.5	173.5	-61.2	-58.9	-57.4	0	0	110	V228 Q230 K239 I243	V228-Q241 HydrophobicContact CB-CB 4.49Å; V228-Q241 HydrophobicContact CG1-CG 4.39Å; V228-Q241 PolarHBondContact O-N 3.06Å; Q230-Q241 HydrophobicContact CB-CG 4.24Å; K239-Q241 PolarHBondContact O-N 3.13Å; K239-Q241 PolarHBondContact O-NE2 2.83Å; Q241-I243 VanDerWaalsContact C-N 3.26Å; Q241-I243 HydrophobicContact CB-CD1 3.77Å; Q241-I243 HydrophobicContact CB-CG1 3.92Å; Q241-I243 HydrophobicContact CG-CD1 4.49Å; Q241-I243 PolarHBondContact O-N 3.02Å
242	D	80.8	Confident	86.6	Confident	175 Å²	175	64.7 Å²	64.7	94%	0.936	33%	0.331	S	S	*	.	S	Bend	trans	-83.8	76	176.1	-164.5	21.8	0	0	0	108.9
243	I	83.2	Confident	86.3	Confident	81 Å²	81	67.5 Å²	67.5	42%	0.415	35%	0.351	S	S	.	.	S	Bend	trans	-136.3	145.6	-177.8	-56.4	174.5	0	0	0	106.5	Q241 D245	Q241-I243 VanDerWaalsContact C-N 3.26Å; Q241-I243 HydrophobicContact CB-CD1 3.77Å; Q241-I243 HydrophobicContact CB-CG1 3.92Å; Q241-I243 HydrophobicContact CG-CD1 4.49Å; Q241-I243 PolarHBondContact O-N 3.02Å; I243-D245 PolarHBondContact O-N 3.1Å
244	E	83.2	Confident	86.2	Confident	133 Å²	133	68.9 Å²	68.9	62%	0.621	36%	0.357	S	S	*	.			trans	-50.8	131.5	172.5	-174.4	-173	-134.7	0	0	111.5	L246 K299	E244-L246 PolarHBondContact O-N 3.06Å; E244-K299 IonicContact OE2-NZ 3.62Å; E244-K299 PolarHBondContact OE2-NZ 2.97Å
245	D	84.1	Confident	86.2	Confident	66 Å²	66	66.1 Å²	66.1	35%	0.353	35%	0.345	S	S	.	.			trans	-63.7	129.9	-178.1	-67.3	-37.9	0	0	0	110.5	A227 K240 I243 Q247	A227-D245 VanDerWaalsContact CA-OD1 3.29Å; A227-D245 WeakPolarHBondContact CA-OD1 3.39Å; A227-D245 WeakPolarHBondContact CB-OD1 3.29Å; K240-D245 IonicContact NZ-OD1 3.77Å; K240-D245 PolarHBondContact NZ-OD1 3.15Å; K240-D245 IonicContact NZ-OD2 3.49Å; I243-D245 PolarHBondContact O-N 3.1Å; D245-Q247 PolarHBondContact O-N 3.36Å
246	L	87.4	Confident	86.4	Confident	4 Å²	4	62.8 Å²	62.8	2%	0.021	33%	0.33	C	S	.	.			trans	-77.6	113.3	-172.6	-60.7	166.9	0	0	0	110.6	I222 G226 V228 E244 L248 V292 K299 L301	I222-L246 HydrophobicContact CD1-CD1 3.97Å; I222-L246 HydrophobicContact CG2-CD1 4.36Å; G226-L246 WeakPolarHBondContact CA-O 3.32Å; G226-L246 WeakPolarHBondContact O-CB 3.24Å; G226-L246 PolarHBondContact O-N 3.42Å; V228-L246 HydrophobicContact CG2-CD1 3.47Å; V228-L246 VanDerWaalsContact CG2-CD1 3.47Å; V228-L246 HydrophobicContact CG2-CG 4.1Å; E244-L246 PolarHBondContact O-N 3.06Å; L246-L248 HydrophobicContact CB-CD2 4.42Å; L246-L248 HydrophobicContact CB-CG 4.46Å; L246-L248 PolarHBondContact O-N 3.42Å; L246-V292 HydrophobicContact CD1-CG1 4.3Å; L246-V292 HydrophobicContact CD1-CG2 4.32Å; L246-K299 HydrophobicContact CD2-CB 4.4Å; L246-K299 HydrophobicContact CD2-CD 3.77Å; L246-L301 HydrophobicContact CD1-CD1 3.91Å
247	Q	86.9	Confident	86.4	Confident	109 Å²	109	61.9 Å²	61.9	51%	0.509	32%	0.32	S	S	.	.			trans	-70.2	69.6	176.8	-61	-174.7	3.6	0	0	112	D245 A294 H295	D245-Q247 PolarHBondContact O-N 3.36Å; Q247-A294 CarbonylContact O-C 3.59Å; Q247-A294 WeakPolarHBondContact O-CA 3.29Å; Q247-A294 WeakPolarHBondContact O-CB 3.43Å; Q247-H295 HydrophobicContact CB-CB 4.09Å; Q247-H295 PolarHBondContact O-CD2 3.48Å; Q247-H295 VanDerWaalsContact O-CD2 3.3Å; Q247-H295 PolarHBondContact O-N 2.97Å
248	L	88	Confident	86.2	Confident	6 Å²	6	61.8 Å²	61.8	3%	0.031	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-58.9	135.2	-173.4	-70.2	177.8	0	0	0	112.5	V209 I222 L246 F250 C276 V280 V292	V209-L248 HydrophobicContact CG2-CD1 3.94Å; I222-L248 HydrophobicContact CG2-CD1 3.81Å; I222-L248 HydrophobicContact CG2-CG 4.49Å; L246-L248 HydrophobicContact CB-CD2 4.42Å; L246-L248 HydrophobicContact CB-CG 4.46Å; L246-L248 PolarHBondContact O-N 3.42Å; L248-F250 HydrophobicContact CB-CE2 4.06Å; L248-F250 HydrophobicContact CB-CZ 4.07Å; L248-F250 HydrophobicContact CD1-CZ 4.38Å; L248-F250 VanDerWaalsContact O-CD2 3.28Å; L248-F250 WeakPolarHBondContact O-CD2 3.44Å; L248-F250 WeakPolarHBondContact O-CE2 3.07Å; L248-C276 HydrophobicContact CD1-CB 4.48Å; L248-V280 HydrophobicContact CD2-CG2 3.97Å; L248-V292 HydrophobicContact CD2-CG1 3.55Å
249	V	88.2	Confident	85.7	Confident	44 Å²	44	62 Å²	62	27%	0.267	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-78	124.6	168.7	-178	0	0	0	0	109.5	S279 L293	V249-S279 WeakPolarHBondContact O-CB 3.48Å; V249-S279 PolarHBondContact O-OG 3.26Å; V249-L293 HydrophobicContact CB-CD2 4.39Å; V249-L293 HydrophobicContact CB-CG 4.46Å; V249-L293 HydrophobicContact CG2-CD2 4.35Å; V249-L293 HydrophobicContact CG2-CG 4.04Å; V249-L293 PolarHBondContact N-O 2.8Å
250	F	88.3	Confident	85.3	Confident	56 Å²	56	56.2 Å²	56.2	25%	0.246	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-97.2	144.4	178.8	-67.1	-83.5	0	0	0	112.6	L248 T252 F274 C276	L248-F250 HydrophobicContact CB-CE2 4.06Å; L248-F250 HydrophobicContact CB-CZ 4.07Å; L248-F250 HydrophobicContact CD1-CZ 4.38Å; L248-F250 VanDerWaalsContact O-CD2 3.28Å; L248-F250 WeakPolarHBondContact O-CD2 3.44Å; L248-F250 WeakPolarHBondContact O-CE2 3.07Å; F250-T252 PolarHBondContact O-N 3.01Å; F250-F274 VanDerWaalsContact CD1-C 3.43Å; F250-F274 WeakPolarHBondContact CE1-O 3.38Å; F250-C276 HydrophobicContact CD1-CB 3.88Å; F250-C276 HydrophobicContact CE1-CB 4.02Å
251	S	83.3	Confident	84.7	Confident	14 Å²	14	55.3 Å²	55.3	10%	0.098	32%	0.318	C	S	.	.			trans	-83.7	20.5	-176.9	-59.9	0	0	0	0	113.6	I254 L255 A275	S251-I254 WeakPolarHBondContact O-CB 3.31Å; S251-I254 PolarHBondContact O-N 3.47Å; S251-I254 VanDerWaalsContact O-N 3.11Å; S251-L255 PolarHBondContact O-N 3.49Å; S251-L255 VanDerWaalsContact O-N 3.1Å; S251-A275 WeakPolarHBondContact CB-O 3.21Å; S251-A275 PolarHBondContact N-O 3.38Å
252	T	85.4	Confident	84.4	Confident	34 Å²	34	54.2 Å²	54.2	21%	0.209	32%	0.319	C	S	.	.	H	α-helix	trans	-52.4	-47.9	-168.6	-40.5	0	0	0	0	114.5	F250 I254 K256 A272 E273	F250-T252 PolarHBondContact O-N 3.01Å; T252-I254 VanDerWaalsContact C-N 3.3Å; T252-I254 PolarHBondContact O-N 3.41Å; T252-K256 HydrophobicContact CG2-CD 3.93Å; T252-K256 HydrophobicContact CG2-CG 4.32Å; T252-K256 WeakPolarHBondContact O-CB 3.38Å; T252-K256 WeakPolarHBondContact O-CG 3.4Å; T252-K256 PolarHBondContact O-N 3Å; T252-A272 WeakPolarHBondContact CA-O 3.38Å; T252-A272 HydrophobicContact CG2-CB 4.35Å; T252-A272 PolarHBondContact OG1-O 2.84Å; T252-E273 HydrophobicContact CG2-CG 4.12Å
253	P	84.6	Confident	84.4	Confident	76 Å²	76	53.4 Å²	53.4	49%	0.494	30%	0.303	S	S	.	.	H	α-helix	trans	-69.7	-27.3	-177.7	-18.4	33.2	0	0	0	113.6	G257 S258	P253-G257 PolarHBondContact O-N 3.29Å; P253-S258 PolarHBondContact O-N 3.3Å; P253-S258 VanDerWaalsContact O-N 3.12Å; P253-S258 PolarHBondContact O-OG 2.91Å
254	I	84.7	Confident	84.5	Confident	36 Å²	36	50.2 Å²	50.2	19%	0.185	29%	0.287	C	S	.	.	H	α-helix	trans	-75	-48.7	179.9	-67	155.1	0	0	0	109.3	Q21 I49 S251 T252 G257	Q21-I254 HydrophobicContact CG-CG1 4.47Å; I49-I254 HydrophobicContact CB-CG2 4.43Å; I49-I254 HydrophobicContact CG2-CG2 3.87Å; S251-I254 WeakPolarHBondContact O-CB 3.31Å; S251-I254 PolarHBondContact O-N 3.47Å; S251-I254 VanDerWaalsContact O-N 3.11Å; T252-I254 VanDerWaalsContact C-N 3.3Å; T252-I254 PolarHBondContact O-N 3.41Å; I254-G257 PolarHBondContact O-N 3.46Å
255	L	86.3	Confident	84.6	Confident	7 Å²	7	45.3 Å²	45.3	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-73.2	-32.8	179.6	-73.8	165.3	0	0	0	113.2	I49 I98 S251 G257 V268 A272 A275	I49-L255 HydrophobicContact CB-CD2 4.43Å; I49-L255 HydrophobicContact CD1-CD2 3.8Å; I49-L255 HydrophobicContact CG2-CD2 4.24Å; I98-L255 HydrophobicContact CB-CD2 4.5Å; S251-L255 PolarHBondContact O-N 3.49Å; S251-L255 VanDerWaalsContact O-N 3.1Å; L255-G257 PolarHBondContact O-N 3.32Å; L255-V268 HydrophobicContact CB-CG1 4.34Å; L255-V268 HydrophobicContact CD2-CG1 4.37Å; L255-A272 HydrophobicContact CB-CB 3.64Å; L255-A275 HydrophobicContact CD1-CB 3.31Å
256	K	86.8	Confident	84.6	Confident	59 Å²	59	48.4 Å²	48.4	26%	0.257	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-6.4	169.9	-69.6	-171.6	179.1	-176.8	0	113.3	T252 S258 K269 A272 E273	T252-K256 HydrophobicContact CG2-CD 3.93Å; T252-K256 HydrophobicContact CG2-CG 4.32Å; T252-K256 WeakPolarHBondContact O-CB 3.38Å; T252-K256 WeakPolarHBondContact O-CG 3.4Å; T252-K256 PolarHBondContact O-N 3Å; K256-S258 PolarHBondContact O-N 3.22Å; K256-K269 WeakPolarHBondContact CE-O 3.23Å; K256-A272 HydrophobicContact CG-CB 3.71Å; K256-E273 IonicContact NZ-OE1 3.72Å; K256-E273 PolarHBondContact NZ-OE1 3Å
257	G	84.1	Confident	84.4	Confident	3 Å²	3	49.7 Å²	49.7	3%	0.031	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	31.2	176.8	0	0	0	0	0	114	P253 I254 L255 A259 T260 G261 G262	P253-G257 PolarHBondContact O-N 3.29Å; I254-G257 PolarHBondContact O-N 3.46Å; L255-G257 PolarHBondContact O-N 3.32Å; G257-A259 PolarHBondContact O-N 3.02Å; G257-A259 VanDerWaalsContact O-N 3.16Å; G257-T260 CarbonylContact O-C 3.59Å; G257-T260 PolarHBondContact O-N 3.17Å; G257-T260 PolarHBondContact O-OG1 3.46Å; G257-G261 PolarHBondContact O-N 3.09Å; G257-G262 PolarHBondContact O-N 3.26Å
258	S	84.9	Confident	84.3	Confident	82 Å²	82	44.7 Å²	44.7	57%	0.573	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-57.9	-34.8	-173.2	-55.7	0	0	0	0	112.8	P253 K256 T260	P253-S258 PolarHBondContact O-N 3.3Å; P253-S258 VanDerWaalsContact O-N 3.12Å; P253-S258 PolarHBondContact O-OG 2.91Å; K256-S258 PolarHBondContact O-N 3.22Å; S258-T260 VanDerWaalsContact C-N 3.33Å; S258-T260 PolarHBondContact O-N 3.32Å
259	A	80.2	Confident	84.3	Confident	38 Å²	38	47.1 Å²	47.1	31%	0.314	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-77.2	-12.8	178.2	0	0	0	0	0	115	Q21 G257	Q21-A259 HydrophobicContact CB-CB 3.69Å; Q21-A259 HydrophobicContact CG-CB 4.41Å; G257-A259 PolarHBondContact O-N 3.02Å; G257-A259 VanDerWaalsContact O-N 3.16Å
260	T	81	Confident	84.1	Confident	20 Å²	20	47.8 Å²	47.8	12%	0.123	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-111.2	9	179.6	56.7	0	0	0	0	112.8	Q21 G45 N65 G257 S258 R263	Q21-T260 WeakPolarHBondContact O-CG2 3.43Å; G45-T260 WeakPolarHBondContact O-CB 3.42Å; G45-T260 WeakPolarHBondContact O-CG2 3.1Å; N65-T260 PolarHBondContact ND2-OG1 3.03Å; G257-T260 CarbonylContact O-C 3.59Å; G257-T260 PolarHBondContact O-N 3.17Å; G257-T260 PolarHBondContact O-OG1 3.46Å; S258-T260 VanDerWaalsContact C-N 3.33Å; S258-T260 PolarHBondContact O-N 3.32Å; T260-R263 WeakPolarHBondContact O-CD 3.16Å; T260-R263 WeakPolarHBondContact O-CG 3.5Å
261	G	79.3	Confident	84.1	Confident	70 Å²	70	45.2 Å²	45.2	72%	0.722	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	29.2	-179.5	0	0	0	0	0	113.9	G257 R263	G257-G261 PolarHBondContact O-N 3.09Å; G261-R263 PolarHBondContact O-N 3.42Å
262	G	80.9	Confident	84.3	Confident	26 Å²	26	44.6 Å²	44.6	27%	0.268	27%	0.273	S	S	.	.	S	Bend	trans	75.1	21.1	173.4	0	0	0	0	0	115.1	G257 V264	G257-G262 PolarHBondContact O-N 3.26Å; G262-V264 PolarHBondContact O-N 3.42Å
263	R	81.3	Confident	84.4	Confident	157 Å²	157	47.6 Å²	47.6	59%	0.592	29%	0.285	S	S	*	.			trans	-73.8	52.1	-175.2	-66.3	179.4	177	-166.6	-1.6	113.9	Q46 T260 G261	Q46-R263 PolarHBondContact NE2-O 3.06Å; Q46-R263 PolarHBondContact OE1-O 3.25Å; T260-R263 WeakPolarHBondContact O-CD 3.16Å; T260-R263 WeakPolarHBondContact O-CG 3.5Å; G261-R263 PolarHBondContact O-N 3.42Å
264	V	85.2	Confident	84.6	Confident	14 Å²	14	46 Å²	46	9%	0.085	27%	0.27	C	S	.	.	S	Bend	trans	-130.7	157.9	-179.7	-58	0	0	0	0	110.5	N65 G262 K269	N65-V264 HydrophobicContact CB-CG1 3.83Å; N65-V264 WeakPolarHBondContact ND2-CG1 3.38Å; N65-V264 WeakPolarHBondContact O-CG1 3.49Å; G262-V264 PolarHBondContact O-N 3.42Å; V264-K269 HydrophobicContact CG2-CD 4.21Å; V264-K269 HydrophobicContact CG2-CG 3.54Å; V264-K269 WeakPolarHBondContact O-CE 3.5Å
265	S	85.8	Confident	84.8	Confident	30 Å²	30	44.3 Å²	44.3	21%	0.21	26%	0.262	C	S	.	.			trans	-65.9	148.3	177.7	70.1	0	0	0	0	111.5	G95 A267 V268 K269	G95-S265 PolarHBondContact O-OG 3.5Å; S265-A267 PolarHBondContact O-N 2.92Å; S265-V268 PolarHBondContact O-N 3.13Å; S265-V268 WeakPolarHBondContact OG-CG2 3.48Å; S265-V268 PolarHBondContact OG-N 2.85Å; S265-K269 PolarHBondContact O-N 3.18Å
266	E	84.8	Confident	85	Confident	132 Å²	132	44 Å²	44	62%	0.617	26%	0.26	S	S	*	.	H	α-helix	trans	-58	-33.7	174.8	-62.9	-52.6	129.1	0	0	112	V268 K269 A270	E266-V268 VanDerWaalsContact C-N 3.31Å; E266-V268 PolarHBondContact O-N 2.85Å; E266-K269 PolarHBondContact O-N 3.27Å; E266-K269 WeakPolarHBondContact OE1-CE 3.4Å; E266-K269 IonicContact OE1-NZ 3.47Å; E266-K269 PolarHBondContact OE1-NZ 3.38Å; E266-K269 IonicContact OE2-NZ 2.75Å; E266-A270 PolarHBondContact O-N 3.27Å
267	A	82.4	Confident	85.1	Confident	31 Å²	31	42.7 Å²	42.7	26%	0.256	25%	0.254	S	S	.	.	H	α-helix	trans	-58.4	-39.8	174.1	0	0	0	0	0	112.7	V113 S265 V271	V113-A267 HydrophobicContact CB-CB 4.41Å; V113-A267 HydrophobicContact CG1-CB 4.08Å; V113-A267 HydrophobicContact CG2-CB 4.32Å; S265-A267 PolarHBondContact O-N 2.92Å; A267-V271 PolarHBondContact O-N 2.83Å
268	V	85.8	Confident	85.1	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-76.1	-36.5	175	172.2	0	0	0	0	111.6	G95 I98 V113 L255 S265 E266 A270 V271 A272	G95-V268 WeakPolarHBondContact O-CG2 3.32Å; I98-V268 HydrophobicContact CG2-CB 4.33Å; I98-V268 HydrophobicContact CG2-CG1 4.01Å; I98-V268 HydrophobicContact CG2-CG2 3.54Å; V113-V268 HydrophobicContact CG2-CG2 4.11Å; L255-V268 HydrophobicContact CB-CG1 4.34Å; L255-V268 HydrophobicContact CD2-CG1 4.37Å; S265-V268 PolarHBondContact O-N 3.13Å; S265-V268 WeakPolarHBondContact OG-CG2 3.48Å; S265-V268 PolarHBondContact OG-N 2.85Å; E266-V268 VanDerWaalsContact C-N 3.31Å; E266-V268 PolarHBondContact O-N 2.85Å; V268-A270 VanDerWaalsContact C-N 3.31Å; V268-A270 PolarHBondContact O-N 3.01Å; V268-V271 PolarHBondContact O-N 3.48Å; V268-A272 VanDerWaalsContact O-CB 3.29Å; V268-A272 WeakPolarHBondContact O-CB 3.43Å; V268-A272 PolarHBondContact O-N 3.17Å
269	K	86.6	Confident	85.2	Confident	57 Å²	57	42.1 Å²	42.1	25%	0.248	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-39.8	176.3	-64	-179	-169.6	165	0	112.6	K256 V264 S265 E266	K256-K269 WeakPolarHBondContact CE-O 3.23Å; V264-K269 HydrophobicContact CG2-CD 4.21Å; V264-K269 HydrophobicContact CG2-CG 3.54Å; V264-K269 WeakPolarHBondContact O-CE 3.5Å; S265-K269 PolarHBondContact O-N 3.18Å; E266-K269 PolarHBondContact O-N 3.27Å; E266-K269 WeakPolarHBondContact OE1-CE 3.4Å; E266-K269 IonicContact OE1-NZ 3.47Å; E266-K269 PolarHBondContact OE1-NZ 3.38Å; E266-K269 IonicContact OE2-NZ 2.75Å
270	A	85.6	Confident	85.5	Confident	59 Å²	59	41 Å²	41	49%	0.488	23%	0.231	S	C	.	.	H	α-helix	trans	-64.8	-44.9	177.7	0	0	0	0	0	112.3	E266 V268	E266-A270 PolarHBondContact O-N 3.27Å; V268-A270 VanDerWaalsContact C-N 3.31Å; V268-A270 PolarHBondContact O-N 3.01Å
271	V	87.9	Confident	85.6	Confident	2 Å²	2	44 Å²	44	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-75.4	-24.3	-179.4	173.5	0	0	0	0	112.9	I98 V113 Y137 P140 A267 V268 E273 F274	I98-V271 HydrophobicContact CD1-CG1 3.76Å; V113-V271 HydrophobicContact CG1-CG2 4.11Å; V113-V271 HydrophobicContact CG2-CG2 4.35Å; Y137-V271 WeakPolarHBondContact O-CG2 3.44Å; P140-V271 HydrophobicContact CB-CG1 3.65Å; A267-V271 PolarHBondContact O-N 2.83Å; V268-V271 PolarHBondContact O-N 3.48Å; V271-E273 PolarHBondContact O-N 3.43Å; V271-E273 VanDerWaalsContact O-N 3.11Å; V271-F274 PolarHBondContact O-N 3.37Å
272	A	87.6	Confident	85.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-57.9	-28.1	-173.5	0	0	0	0	0	114.4	T252 L255 K256 V268 F274 A275	T252-A272 WeakPolarHBondContact CA-O 3.38Å; T252-A272 HydrophobicContact CG2-CB 4.35Å; T252-A272 PolarHBondContact OG1-O 2.84Å; L255-A272 HydrophobicContact CB-CB 3.64Å; K256-A272 HydrophobicContact CG-CB 3.71Å; V268-A272 VanDerWaalsContact O-CB 3.29Å; V268-A272 WeakPolarHBondContact O-CB 3.43Å; V268-A272 PolarHBondContact O-N 3.17Å; A272-F274 VanDerWaalsContact C-N 3.3Å; A272-F274 PolarHBondContact O-N 2.94Å; A272-A275 PolarHBondContact O-N 3.13Å
273	E	86.1	Confident	84.9	Confident	98 Å²	98	44.3 Å²	44.3	46%	0.458	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-67.3	-30.3	-175.4	-57	-166.4	157.1	0	0	113.2	T252 K256 V271	T252-E273 HydrophobicContact CG2-CG 4.12Å; K256-E273 IonicContact NZ-OE1 3.72Å; K256-E273 PolarHBondContact NZ-OE1 3Å; V271-E273 PolarHBondContact O-N 3.43Å; V271-E273 VanDerWaalsContact O-N 3.11Å
274	F	89.5	Confident	84.2	Confident	42 Å²	42	38.5 Å²	38.5	18%	0.184	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-108.2	5.9	-178.3	-61.6	-72.1	0	0	0	113.1	Q138 F139 P140 V209 F250 V271 A272	Q138-F274 HydrophobicContact CG-CD2 4.24Å; Q138-F274 HydrophobicContact CG-CE2 3.81Å; F139-F274 HydrophobicContact CD1-CB 4.17Å; F139-F274 HydrophobicContact CD1-CD1 4.32Å; F139-F274 HydrophobicContact CD1-CD2 4.21Å; F139-F274 AromaticContact CD1-CG 3.97Å; F139-F274 HydrophobicContact CD1-CG 3.97Å; F139-F274 HydrophobicContact CE1-CD1 4.05Å; F139-F274 HydrophobicContact CE1-CD2 4.28Å; F139-F274 HydrophobicContact CE1-CE1 4.21Å; F139-F274 HydrophobicContact CE1-CE2 4.44Å; F139-F274 HydrophobicContact CE1-CG 4.09Å; F139-F274 HydrophobicContact CE1-CZ 4.4Å; P140-F274 HydrophobicContact CG-CB 4.43Å; P140-F274 WeakPolarHBondContact CG-O 3.28Å; V209-F274 WeakPolarHBondContact CB-O 3.2Å; V209-F274 HydrophobicContact CG1-CB 3.88Å; F250-F274 VanDerWaalsContact CD1-C 3.43Å; F250-F274 WeakPolarHBondContact CE1-O 3.38Å; V271-F274 PolarHBondContact O-N 3.37Å; A272-F274 VanDerWaalsContact C-N 3.3Å; A272-F274 PolarHBondContact O-N 2.94Å
275	A	89.4	Confident	83.1	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.224	C	C	.	.			trans	-86.2	113.7	-174.2	0	0	0	0	0	113.1	S251 L255 A272 Y277	S251-A275 WeakPolarHBondContact CB-O 3.21Å; S251-A275 PolarHBondContact N-O 3.38Å; L255-A275 HydrophobicContact CD1-CB 3.31Å; A272-A275 PolarHBondContact O-N 3.13Å; A275-Y277 HydrophobicContact CB-CD2 4.45Å; A275-Y277 HydrophobicContact CB-CE2 4.24Å
276	C	89.6	Confident	82.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.222	C	C	.	.			trans	-124.8	30.6	-175.4	62.2	0	0	0	0	114	N210 L248 F250 Q278 S279	N210-C276 PolarHBondContact ND2-O 2.96Å; L248-C276 HydrophobicContact CD1-CB 4.48Å; F250-C276 HydrophobicContact CD1-CB 3.88Å; F250-C276 HydrophobicContact CE1-CB 4.02Å; C276-Q278 VanDerWaalsContact C-N 3.28Å; C276-Q278 PolarHBondContact O-N 3.21Å; C276-S279 WeakPolarHBondContact O-CB 3.37Å; C276-S279 PolarHBondContact O-N 3.21Å
277	Y	88.2	Confident	81.5	Confident	33 Å²	33	33 Å²	33	13%	0.129	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.3	-173.5	-60.8	-64.9	0	0	0	115.3	I98 P140 P141 A275 S279	I98-Y277 HydrophobicContact CB-CE2 4.35Å; I98-Y277 HydrophobicContact CD1-CE2 4.1Å; I98-Y277 WeakPolarHBondContact CD1-OH 3.32Å; I98-Y277 HydrophobicContact CG1-CE2 4.1Å; P140-Y277 WeakPolarHBondContact CB-OH 3.46Å; P141-Y277 WeakPolarHBondContact O-CE1 2.95Å; P141-Y277 PolarHBondContact O-OH 3.06Å; A275-Y277 HydrophobicContact CB-CD2 4.45Å; A275-Y277 HydrophobicContact CB-CE2 4.24Å; Y277-S279 VanDerWaalsContact C-N 3.32Å
278	Q	84.8	Confident	81.2	Confident	66 Å²	66	34.7 Å²	34.7	31%	0.308	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-9.5	179.4	-57	-61.3	-10.2	0	0	113	C6 I49 C276	C6-Q278 HydrophobicContact CB-CG 4.4Å; I49-Q278 PolarHBondContact O-NE2 2.66Å; C276-Q278 VanDerWaalsContact C-N 3.28Å; C276-Q278 PolarHBondContact O-N 3.21Å
279	S	86.6	Confident	81	Confident	6 Å²	6	41.2 Å²	41.2	4%	0.042	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-8.5	-170.3	-44.9	0	0	0	0	113.3	V249 C276 Y277 V292 L293	V249-S279 WeakPolarHBondContact O-CB 3.48Å; V249-S279 PolarHBondContact O-OG 3.26Å; C276-S279 WeakPolarHBondContact O-CB 3.37Å; C276-S279 PolarHBondContact O-N 3.21Å; Y277-S279 VanDerWaalsContact C-N 3.32Å; S279-V292 CarbonylContact O-C 3.6Å; S279-V292 WeakPolarHBondContact O-CA 3.45Å; S279-L293 PolarHBondContact O-N 3.41Å
280	V	87.7	Confident	81	Confident	16 Å²	16	38.5 Å²	38.5	10%	0.097	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	118.8	175.4	-173.9	0	0	0	0	108.2	N210 I222 L248 V292	N210-V280 HydrophobicContact CB-CG2 4.29Å; N210-V280 WeakPolarHBondContact ND2-CB 3.41Å; I222-V280 HydrophobicContact CD1-CG1 4.19Å; I222-V280 HydrophobicContact CD1-CG2 3.95Å; L248-V280 HydrophobicContact CD2-CG2 3.97Å; V280-V292 HydrophobicContact CG1-CG2 4.43Å
281	T	82.6	Confident	81.1	Confident	82 Å²	82	38.1 Å²	38.1	50%	0.503	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	172	-179.2	-166.1	0	0	0	0	111.7	L290 I291	T281-L290 WeakPolarHBondContact O-CA 3.5Å; T281-I291 HydrophobicContact CG2-CB 4.12Å; T281-I291 PolarHBondContact N-O 3.22Å; T281-I291 PolarHBondContact O-N 3.1Å
282	S	78.4	Confident	81.1	Confident	25 Å²	25	38 Å²	38	18%	0.175	20%	0.203	C	C	.	.			trans	-140.5	140.6	176.7	60.9	0	0	0	0	109	H212 T284	H212-S282 WeakPolarHBondContact NE2-CB 3.31Å; H212-S282 PolarHBondContact NE2-OG 2.82Å; S282-T284 PolarHBondContact O-N 2.84Å; S282-T284 VanDerWaalsContact O-N 3.14Å; S282-T284 PolarHBondContact OG-O 2.93Å
283	A	66.1	Low	81.2	Confident	78 Å²	78	41.6 Å²	41.6	65%	0.645	22%	0.221	S	C	*	.	S	Bend	trans	-56.9	-33.3	180	0	0	0	0	0	113
284	T	67.2	Low	81.3	Confident	34 Å²	34	37.1 Å²	37.1	21%	0.209	20%	0.201	C	C	.	.	S	Bend	trans	-149.2	160.1	178.7	72.6	0	0	0	0	111.7	P157 S282 T286 S287	P157-T284 HydrophobicContact CB-CG2 3.95Å; P157-T284 HydrophobicContact CG-CG2 3.56Å; S282-T284 PolarHBondContact O-N 2.84Å; S282-T284 VanDerWaalsContact O-N 3.14Å; S282-T284 PolarHBondContact OG-O 2.93Å; T284-T286 PolarHBondContact O-N 3.08Å; T284-T286 VanDerWaalsContact O-N 3.15Å; T284-T286 PolarHBondContact OG1-N 3.26Å; T284-T286 PolarHBondContact OG1-OG1 3.12Å; T284-S287 WeakPolarHBondContact O-CB 3.46Å; T284-S287 PolarHBondContact O-N 2.97Å; T284-S287 VanDerWaalsContact O-N 3.13Å; T284-S287 PolarHBondContact OG1-N 3.32Å
285	S	63.3	Low	81	Confident	16 Å²	16	41.4 Å²	41.4	11%	0.112	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-2.4	174.9	65.6	0	0	0	0	115.1	F145 W146	F145-S285 VanDerWaalsContact CE2-CB 3.4Å; W146-S285 VanDerWaalsContact CE3-O 3.25Å
286	T	65	Low	80.8	Confident	27 Å²	27	45.7 Å²	45.7	17%	0.166	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	13.4	174.8	60.7	0	0	0	0	111.9	W146 L147 G148 T284	W146-T286 VanDerWaalsContact CZ3-CA 3.46Å; L147-T286 HydrophobicContact CB-CG2 4.25Å; G148-T286 WeakPolarHBondContact O-CG2 3.27Å; T284-T286 PolarHBondContact O-N 3.08Å; T284-T286 VanDerWaalsContact O-N 3.15Å; T284-T286 PolarHBondContact OG1-N 3.26Å; T284-T286 PolarHBondContact OG1-OG1 3.12Å
287	S	70.6	Confident	80.6	Confident	19 Å²	19	47.1 Å²	47.1	13%	0.133	26%	0.26	C	S	.	.			trans	-78.4	125.6	-179.3	-171.9	0	0	0	0	110.8	T284 R289	T284-S287 WeakPolarHBondContact O-CB 3.46Å; T284-S287 PolarHBondContact O-N 2.97Å; T284-S287 VanDerWaalsContact O-N 3.13Å; T284-S287 PolarHBondContact OG1-N 3.32Å; S287-R289 PolarHBondContact O-N 3.32Å; S287-R289 PolarHBondContact OG-N 3.07Å; S287-R289 VanDerWaalsContact OG-N 3.17Å; S287-R289 PolarHBondContact OG-O 3.39Å
288	E	75.8	Confident	80.6	Confident	66 Å²	66	50.9 Å²	50.9	31%	0.308	28%	0.281	S	S	.	.	S	Bend	trans	-82.5	12.4	165.8	-54.7	-157.7	136.3	0	0	112.5	M214 K303	M214-E288 VanDerWaalsContact SD-O 3.4Å; E288-K303 HydrophobicContact CB-CB 4.3Å; E288-K303 PolarHBondContact O-N 2.83Å; E288-K303 IonicContact OE1-NZ 3.3Å; E288-K303 PolarHBondContact OE1-NZ 3.34Å; E288-K303 IonicContact OE2-NZ 2.73Å; E288-K303 PolarHBondContact OE2-NZ 2.81Å
289	R	82.9	Confident	80.7	Confident	139 Å²	139	49.7 Å²	49.7	53%	0.525	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	134	177.2	-58.2	-177.9	-177.6	-158.6	-17.4	111.6	S287 L301 E302	S287-R289 PolarHBondContact O-N 3.32Å; S287-R289 PolarHBondContact OG-N 3.07Å; S287-R289 VanDerWaalsContact OG-N 3.17Å; S287-R289 PolarHBondContact OG-O 3.39Å; R289-L301 CarbonylContact C-O 3.52Å; R289-L301 WeakPolarHBondContact CA-O 3.47Å; R289-E302 HydrophobicContact CG-CB 4.08Å; R289-E302 HydrophobicContact CG-CG 3.89Å; R289-E302 VanDerWaalsContact CZ-CD 3.47Å; R289-E302 IonicContact CZ-OE1 2.71Å; R289-E302 IonicContact CZ-OE2 2.62Å; R289-E302 IonicContact NE-OE1 3.94Å; R289-E302 PolarHBondContact NE-OE1 2.73Å; R289-E302 IonicContact NE-OE2 2.82Å; R289-E302 PolarHBondContact NE-OE2 3.47Å; R289-E302 IonicContact NH1-OE2 3.31Å; R289-E302 VanDerWaalsContact NH2-CD 3.28Å; R289-E302 IonicContact NH2-OE1 3.56Å; R289-E302 PolarHBondContact NH2-OE1 3.46Å; R289-E302 IonicContact NH2-OE2 3.53Å; R289-E302 PolarHBondContact NH2-OE2 3.35Å
290	L	85.5	Confident	80.7	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	148.8	173	-45.4	-178.5	0	0	0	110.3	H212 M214 V220 T281 Y300 L301	H212-L290 HydrophobicContact CB-CD1 3.86Å; H212-L290 HydrophobicContact CB-CD2 3.77Å; H212-L290 VanDerWaalsContact ND1-CD2 3.34Å; H212-L290 WeakPolarHBondContact ND1-CD2 3.35Å; M214-L290 HydrophobicContact CE-CD1 4.24Å; M214-L290 HydrophobicContact CE-CG 4.45Å; M214-L290 HydrophobicContact CG-CD1 4.42Å; M214-L290 HydrophobicContact CG-CD2 3.91Å; M214-L290 HydrophobicContact CG-CG 4.24Å; M214-L290 HydrophobicContact SD-CD1 4.04Å; M214-L290 HydrophobicContact SD-CD2 3.93Å; M214-L290 HydrophobicContact SD-CG 3.67Å; V220-L290 HydrophobicContact CB-CD1 4.4Å; V220-L290 HydrophobicContact CG1-CD1 4.22Å; T281-L290 WeakPolarHBondContact O-CA 3.5Å; L290-Y300 WeakPolarHBondContact O-CA 3.3Å; L290-L301 HydrophobicContact CB-CB 4.22Å; L290-L301 HydrophobicContact CD1-CD1 4.4Å; L290-L301 PolarHBondContact N-O 3.01Å; L290-L301 PolarHBondContact O-N 3.39Å
291	I	88.2	Confident	80.6	Confident	51 Å²	51	57.3 Å²	57.3	26%	0.262	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.2	172	-51.6	-179.9	0	0	0	106.9	T281 L298 Y300	T281-I291 HydrophobicContact CG2-CB 4.12Å; T281-I291 PolarHBondContact N-O 3.22Å; T281-I291 PolarHBondContact O-N 3.1Å; I291-L298 HydrophobicContact CG2-CD2 4.06Å; I291-Y300 HydrophobicContact CD1-CE1 4.11Å; I291-Y300 HydrophobicContact CG1-CD1 3.99Å; I291-Y300 HydrophobicContact CG1-CE1 3.82Å; I291-Y300 HydrophobicContact CG2-CE1 4.45Å
292	V	89.1	Confident	80.6	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.1	179.7	-178.5	0	0	0	0	109.2	I222 L246 L248 S279 V280 L298 K299 L301	I222-V292 HydrophobicContact CD1-CG2 4.46Å; L246-V292 HydrophobicContact CD1-CG1 4.3Å; L246-V292 HydrophobicContact CD1-CG2 4.32Å; L248-V292 HydrophobicContact CD2-CG1 3.55Å; S279-V292 CarbonylContact O-C 3.6Å; S279-V292 WeakPolarHBondContact O-CA 3.45Å; V280-V292 HydrophobicContact CG1-CG2 4.43Å; V292-L298 WeakPolarHBondContact O-CA 3.46Å; V292-K299 PolarHBondContact N-O 3.46Å; V292-K299 PolarHBondContact O-N 3.37Å; V292-L301 HydrophobicContact CG2-CD1 4.02Å; V292-L301 HydrophobicContact CG2-CG 4.23Å
293	L	88.7	Confident	80.6	Confident	74 Å²	74	59.4 Å²	59.4	39%	0.387	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	107.3	168.9	-178	67.3	0	0	0	108.9	V249 S279 L298	V249-L293 HydrophobicContact CB-CD2 4.39Å; V249-L293 HydrophobicContact CB-CG 4.46Å; V249-L293 HydrophobicContact CG2-CD2 4.35Å; V249-L293 HydrophobicContact CG2-CG 4.04Å; V249-L293 PolarHBondContact N-O 2.8Å; S279-L293 PolarHBondContact O-N 3.41Å; L293-L298 HydrophobicContact CB-CD2 4.38Å; L293-L298 HydrophobicContact CD1-CD2 3.89Å
294	A	87.9	Confident	81	Confident	4 Å²	4	58.3 Å²	58.3	3%	0.033	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	166.1	173.9	0	0	0	0	0	110.9	Q247 D296 G297	Q247-A294 CarbonylContact O-C 3.59Å; Q247-A294 WeakPolarHBondContact O-CA 3.29Å; Q247-A294 WeakPolarHBondContact O-CB 3.43Å; A294-D296 WeakPolarHBondContact CB-OD1 3.5Å; A294-D296 PolarHBondContact O-N 2.73Å; A294-G297 PolarHBondContact N-O 3.39Å; A294-G297 PolarHBondContact O-N 2.81Å
295	H	84.6	Confident	81.6	Confident	133 Å²	133	61.3 Å²	61.3	62%	0.616	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-27	179.4	-84.2	-79.2	0	0	0	113.7	Q247	Q247-H295 HydrophobicContact CB-CB 4.09Å; Q247-H295 PolarHBondContact O-CD2 3.48Å; Q247-H295 VanDerWaalsContact O-CD2 3.3Å; Q247-H295 PolarHBondContact O-N 2.97Å
296	D	84.1	Confident	82.5	Confident	89 Å²	89	61.7 Å²	61.7	48%	0.476	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-12.1	177.4	61.2	-17.7	0	0	0	113.8	A294 K299	A294-D296 WeakPolarHBondContact CB-OD1 3.5Å; A294-D296 PolarHBondContact O-N 2.73Å; D296-K299 VanDerWaalsContact CG-CE 3.47Å; D296-K299 VanDerWaalsContact OD1-CE 3.29Å; D296-K299 WeakPolarHBondContact OD1-CE 3.44Å; D296-K299 IonicContact OD1-NZ 3.82Å; D296-K299 WeakPolarHBondContact OD2-CE 3.45Å; D296-K299 IonicContact OD2-NZ 2.75Å; D296-K299 PolarHBondContact OD2-NZ 2.89Å
297	G	85.7	Confident	83.3	Confident	31 Å²	31	64.7 Å²	64.7	32%	0.32	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	150.5	-160.8	173.7	0	0	0	0	0	115.1	A294	A294-G297 PolarHBondContact N-O 3.39Å; A294-G297 PolarHBondContact O-N 2.81Å
298	L	87.9	Confident	83.8	Confident	112 Å²	112	67.7 Å²	67.7	59%	0.586	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	114.3	173.7	-72.3	169.7	0	0	0	110	I291 V292 L293	I291-L298 HydrophobicContact CG2-CD2 4.06Å; V292-L298 WeakPolarHBondContact O-CA 3.46Å; L293-L298 HydrophobicContact CB-CD2 4.38Å; L293-L298 HydrophobicContact CD1-CD2 3.89Å
299	K	86.5	Confident	84.1	Confident	41 Å²	41	67 Å²	67	18%	0.178	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	145.4	173.9	-64.6	-171.6	177.9	-179.8	0	110.3	E244 L246 V292 D296	E244-K299 IonicContact OE2-NZ 3.62Å; E244-K299 PolarHBondContact OE2-NZ 2.97Å; L246-K299 HydrophobicContact CD2-CB 4.4Å; L246-K299 HydrophobicContact CD2-CD 3.77Å; V292-K299 PolarHBondContact N-O 3.46Å; V292-K299 PolarHBondContact O-N 3.37Å; D296-K299 VanDerWaalsContact CG-CE 3.47Å; D296-K299 VanDerWaalsContact OD1-CE 3.29Å; D296-K299 WeakPolarHBondContact OD1-CE 3.44Å; D296-K299 IonicContact OD1-NZ 3.82Å; D296-K299 WeakPolarHBondContact OD2-CE 3.45Å; D296-K299 IonicContact OD2-NZ 2.75Å; D296-K299 PolarHBondContact OD2-NZ 2.89Å
300	Y	86.2	Confident	84.2	Confident	162 Å²	162	60.5 Å²	60.5	64%	0.635	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.9	173.4	-64.7	-85.7	0	0	0	109.4	L290 I291	L290-Y300 WeakPolarHBondContact O-CA 3.3Å; I291-Y300 HydrophobicContact CD1-CE1 4.11Å; I291-Y300 HydrophobicContact CG1-CD1 3.99Å; I291-Y300 HydrophobicContact CG1-CE1 3.82Å; I291-Y300 HydrophobicContact CG2-CE1 4.45Å
301	L	85.9	Confident	84.1	Confident	20 Å²	20	64.2 Å²	64.2	11%	0.105	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.1	168.2	-57.2	176.3	0	0	0	108.2	V228 L246 R289 L290 V292	V228-L301 HydrophobicContact CG1-CD1 4.45Å; V228-L301 HydrophobicContact CG2-CD1 4.13Å; L246-L301 HydrophobicContact CD1-CD1 3.91Å; R289-L301 CarbonylContact C-O 3.52Å; R289-L301 WeakPolarHBondContact CA-O 3.47Å; L290-L301 HydrophobicContact CB-CB 4.22Å; L290-L301 HydrophobicContact CD1-CD1 4.4Å; L290-L301 PolarHBondContact N-O 3.01Å; L290-L301 PolarHBondContact O-N 3.39Å; V292-L301 HydrophobicContact CG2-CD1 4.02Å; V292-L301 HydrophobicContact CG2-CG 4.23Å
302	E	83.1	Confident	83.9	Confident	92 Å²	92	66 Å²	66	43%	0.43	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.2	179.5	174.9	159.2	-156.9	0	0	110.6	R289 V304	R289-E302 HydrophobicContact CG-CB 4.08Å; R289-E302 HydrophobicContact CG-CG 3.89Å; R289-E302 VanDerWaalsContact CZ-CD 3.47Å; R289-E302 IonicContact CZ-OE1 2.71Å; R289-E302 IonicContact CZ-OE2 2.62Å; R289-E302 IonicContact NE-OE1 3.94Å; R289-E302 PolarHBondContact NE-OE1 2.73Å; R289-E302 IonicContact NE-OE2 2.82Å; R289-E302 PolarHBondContact NE-OE2 3.47Å; R289-E302 IonicContact NH1-OE2 3.31Å; R289-E302 VanDerWaalsContact NH2-CD 3.28Å; R289-E302 IonicContact NH2-OE1 3.56Å; R289-E302 PolarHBondContact NH2-OE1 3.46Å; R289-E302 IonicContact NH2-OE2 3.53Å; R289-E302 PolarHBondContact NH2-OE2 3.35Å; E302-V304 PolarHBondContact O-N 3.3Å
303	K	77.7	Confident	83.6	Confident	59 Å²	59	68.1 Å²	68.1	26%	0.257	32%	0.322	S	S	.	.			trans	-71.2	112.3	166.9	172.7	175.6	149.9	-100.8	0	109.3	M218 E288 H305	M218-K303 HydrophobicContact CE-CD 4.15Å; M218-K303 HydrophobicContact CE-CG 4.3Å; M218-K303 HydrophobicContact SD-CB 4.43Å; M218-K303 HydrophobicContact SD-CD 4.21Å; M218-K303 HydrophobicContact SD-CG 4.45Å; E288-K303 HydrophobicContact CB-CB 4.3Å; E288-K303 PolarHBondContact O-N 2.83Å; E288-K303 IonicContact OE1-NZ 3.3Å; E288-K303 PolarHBondContact OE1-NZ 3.34Å; E288-K303 IonicContact OE2-NZ 2.73Å; E288-K303 PolarHBondContact OE2-NZ 2.81Å; K303-H305 PolarHBondContact O-N 3.32Å
304	V	76.3	Confident	83.3	Confident	55 Å²	55	68.3 Å²	68.3	33%	0.333	32%	0.32	S	S	.	.			trans	-57.6	133	176.4	-174.7	0	0	0	0	110.5	E302 E308 Q309	E302-V304 PolarHBondContact O-N 3.3Å; V304-E308 HydrophobicContact CG1-CB 4.23Å; V304-Q309 HydrophobicContact CG1-CB 4.16Å
305	H	78.9	Confident	83.1	Confident	96 Å²	96	75.6 Å²	75.6	44%	0.444	35%	0.354	S	S	.	.			trans	-76.8	147	178.4	-161.7	-52.6	0	0	0	110.8	K303 W307 E308 Q309	K303-H305 PolarHBondContact O-N 3.32Å; H305-W307 VanDerWaalsContact C-N 3.32Å; H305-W307 AromaticContact CE1-CD1 3.68Å; H305-W307 AromaticContact ND1-CD1 3.86Å; H305-W307 PolarHBondContact O-N 3.49Å; H305-E308 HydrophobicContact CB-CB 4.32Å; H305-E308 WeakPolarHBondContact O-CB 3.44Å; H305-E308 PolarHBondContact O-N 3.25Å; H305-Q309 PolarHBondContact O-N 3.26Å
306	E	82	Confident	83	Confident	25 Å²	25	78.4 Å²	78.4	12%	0.117	36%	0.359	C	S	.	.	H	α-helix	trans	-58.3	-40.3	-175.3	-52.8	98.3	125.8	0	0	113.4	Q309 L310 Y325 A336 S337 F340	E306-Q309 PolarHBondContact O-N 3.4Å; E306-L310 PolarHBondContact O-N 2.94Å; E306-L310 VanDerWaalsContact O-N 3.14Å; E306-Y325 WeakPolarHBondContact CA-OH 3.34Å; E306-A336 HydrophobicContact CG-CB 3.85Å; E306-A336 VanDerWaalsContact OE1-CA 3.26Å; E306-A336 WeakPolarHBondContact OE1-CA 3.21Å; E306-S337 PolarHBondContact OE1-N 2.84Å; E306-F340 HydrophobicContact CB-CD1 3.77Å; E306-F340 HydrophobicContact CB-CD2 4.35Å; E306-F340 HydrophobicContact CB-CE1 3.8Å; E306-F340 HydrophobicContact CB-CE2 4.4Å; E306-F340 HydrophobicContact CB-CG 4.04Å; E306-F340 HydrophobicContact CB-CZ 4.13Å; E306-F340 HydrophobicContact CG-CD1 4.39Å
307	W	81.8	Confident	82.8	Confident	89 Å²	89	80 Å²	80	34%	0.337	37%	0.367	S	S	.	.	H	α-helix	trans	-60.2	-47.1	172.1	-72.6	118.5	0	0	0	113.1	H305 Q309 L310 E311 F340 E343 L347	H305-W307 VanDerWaalsContact C-N 3.32Å; H305-W307 AromaticContact CE1-CD1 3.68Å; H305-W307 AromaticContact ND1-CD1 3.86Å; H305-W307 PolarHBondContact O-N 3.49Å; W307-Q309 VanDerWaalsContact C-N 3.3Å; W307-Q309 PolarHBondContact O-N 3.37Å; W307-L310 HydrophobicContact CZ3-CD2 4.43Å; W307-L310 WeakPolarHBondContact O-CB 3.48Å; W307-L310 PolarHBondContact O-N 2.9Å; W307-L310 VanDerWaalsContact O-N 3.12Å; W307-E311 PolarHBondContact O-N 3.36Å; W307-F340 AromaticContact CD2-CD2 3.67Å; W307-F340 HydrophobicContact CD2-CD2 3.67Å; W307-F340 AromaticContact CD2-CE2 3.77Å; W307-F340 HydrophobicContact CD2-CE2 3.77Å; W307-F340 AromaticContact CE2-CD2 3.54Å; W307-F340 AromaticContact CE3-CD2 3.91Å; W307-F340 HydrophobicContact CE3-CD2 3.91Å; W307-F340 AromaticContact CE3-CE2 3.6Å; W307-F340 HydrophobicContact CE3-CE2 3.6Å; W307-F340 HydrophobicContact CG-CD2 4.29Å; W307-F340 HydrophobicContact CG-CE2 4.42Å; W307-F340 AromaticContact CH2-CD2 3.86Å; W307-F340 HydrophobicContact CH2-CD2 3.86Å; W307-F340 HydrophobicContact CH2-CE2 4.1Å; W307-F340 AromaticContact CZ2-CD2 3.65Å; W307-F340 HydrophobicContact CZ2-CD2 3.65Å; W307-F340 HydrophobicContact CZ2-CE2 4.28Å; W307-F340 AromaticContact CZ3-CD2 3.99Å; W307-F340 HydrophobicContact CZ3-CD2 3.99Å; W307-F340 AromaticContact CZ3-CE2 3.77Å; W307-F340 HydrophobicContact CZ3-CE2 3.77Å; W307-E343 HydrophobicContact CH2-CB 4.25Å; W307-E343 WeakPolarHBondContact CH2-OE2 3.33Å; W307-E343 WeakPolarHBondContact CZ2-OE2 3.46Å; W307-L347 HydrophobicContact CH2-CD1 4.04Å; W307-L347 HydrophobicContact CZ3-CD1 3.84Å
308	E	82.1	Confident	82.8	Confident	83 Å²	83	81.2 Å²	81.2	39%	0.388	37%	0.367	S	S	.	.	H	α-helix	trans	-64.9	-37.6	-179.2	-165.5	-167.3	164.4	0	0	111.2	V304 H305 L310 E311 R312	V304-E308 HydrophobicContact CG1-CB 4.23Å; H305-E308 HydrophobicContact CB-CB 4.32Å; H305-E308 WeakPolarHBondContact O-CB 3.44Å; H305-E308 PolarHBondContact O-N 3.25Å; E308-L310 VanDerWaalsContact C-N 3.31Å; E308-L310 PolarHBondContact O-N 3.28Å; E308-E311 PolarHBondContact O-N 3.5Å; E308-R312 WeakPolarHBondContact O-CB 3.41Å; E308-R312 VanDerWaalsContact O-CG 3.23Å; E308-R312 WeakPolarHBondContact O-CG 3.42Å; E308-R312 PolarHBondContact O-N 2.88Å; E308-R312 IonicContact OE1-CZ 2.69Å; E308-R312 VanDerWaalsContact OE1-CZ 3.31Å; E308-R312 IonicContact OE1-NE 3.12Å; E308-R312 PolarHBondContact OE1-NE 2.73Å; E308-R312 IonicContact OE1-NH2 3.67Å; E308-R312 PolarHBondContact OE1-NH2 2.96Å
309	Q	81.3	Confident	82.6	Confident	52 Å²	52	76.5 Å²	76.5	24%	0.243	34%	0.342	C	S	.	.	H	α-helix	trans	-62.1	-39.1	173.4	-172.9	64	17.8	0	0	111.9	V304 H305 E306 W307 Y313 Y325	V304-Q309 HydrophobicContact CG1-CB 4.16Å; H305-Q309 PolarHBondContact O-N 3.26Å; E306-Q309 PolarHBondContact O-N 3.4Å; W307-Q309 VanDerWaalsContact C-N 3.3Å; W307-Q309 PolarHBondContact O-N 3.37Å; Q309-Y313 HydrophobicContact CG-CE2 3.86Å; Q309-Y313 PolarHBondContact NE2-OH 2.99Å; Q309-Y313 WeakPolarHBondContact O-CD2 3.31Å; Q309-Y313 PolarHBondContact O-N 3.4Å; Q309-Y325 HydrophobicContact CG-CE1 4.39Å; Q309-Y325 HydrophobicContact CG-CE2 4.17Å
310	L	84.1	Confident	82.5	Confident	2 Å²	2	75.4 Å²	75.4	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-68.7	-42.6	175.8	-175.2	65.6	0	0	0	112.4	E306 W307 E308 Y313 K314 A322 Y325 L326 F340 L347	E306-L310 PolarHBondContact O-N 2.94Å; E306-L310 VanDerWaalsContact O-N 3.14Å; W307-L310 HydrophobicContact CZ3-CD2 4.43Å; W307-L310 WeakPolarHBondContact O-CB 3.48Å; W307-L310 PolarHBondContact O-N 2.9Å; W307-L310 VanDerWaalsContact O-N 3.12Å; E308-L310 VanDerWaalsContact C-N 3.31Å; E308-L310 PolarHBondContact O-N 3.28Å; L310-Y313 PolarHBondContact O-N 2.87Å; L310-K314 PolarHBondContact O-N 2.83Å; L310-A322 HydrophobicContact CD1-CB 4.21Å; L310-Y325 HydrophobicContact CD1-CD1 4.47Å; L310-L326 HydrophobicContact CD1-CD1 4.02Å; L310-L326 HydrophobicContact CD1-CD2 4.17Å; L310-L326 HydrophobicContact CD1-CG 3.98Å; L310-L326 HydrophobicContact CD2-CD2 4.16Å; L310-F340 HydrophobicContact CB-CZ 4.43Å; L310-F340 HydrophobicContact CD2-CE2 4.22Å; L310-F340 HydrophobicContact CD2-CZ 4.27Å; L310-L347 HydrophobicContact CD2-CD1 4Å
311	E	84.9	Confident	82.5	Confident	79 Å²	79	69.5 Å²	69.5	37%	0.369	32%	0.321	S	S	.	.	H	α-helix	trans	-62.8	-41.7	175.4	-65.9	-49.5	132.1	0	0	111.7	W307 E308 Y313 K314 E315	W307-E311 PolarHBondContact O-N 3.36Å; E308-E311 PolarHBondContact O-N 3.5Å; E311-Y313 PolarHBondContact O-N 2.93Å; E311-K314 CarbonylContact O-C 3.57Å; E311-K314 WeakPolarHBondContact O-CA 3.28Å; E311-K314 WeakPolarHBondContact O-CB 3.4Å; E311-K314 PolarHBondContact O-N 2.91Å; E311-K314 IonicContact OE1-NZ 3.9Å; E311-K314 PolarHBondContact OE1-NZ 3.11Å; E311-K314 WeakPolarHBondContact OE2-CD 3.45Å; E311-K314 IonicContact OE2-NZ 3.19Å; E311-K314 PolarHBondContact OE2-NZ 3.4Å; E311-E315 WeakPolarHBondContact O-CG 3.46Å; E311-E315 PolarHBondContact O-N 2.91Å
312	R	82.5	Confident	82.5	Confident	87 Å²	87	68.7 Å²	68.7	33%	0.328	32%	0.317	S	S	.	.	H	α-helix	trans	-58.7	-29.8	174.6	-72.5	168.7	-178.8	-158.5	1.4	113.5	E308 R316	E308-R312 WeakPolarHBondContact O-CB 3.41Å; E308-R312 VanDerWaalsContact O-CG 3.23Å; E308-R312 WeakPolarHBondContact O-CG 3.42Å; E308-R312 PolarHBondContact O-N 2.88Å; E308-R312 IonicContact OE1-CZ 2.69Å; E308-R312 VanDerWaalsContact OE1-CZ 3.31Å; E308-R312 IonicContact OE1-NE 3.12Å; E308-R312 PolarHBondContact OE1-NE 2.73Å; E308-R312 IonicContact OE1-NH2 3.67Å; E308-R312 PolarHBondContact OE1-NH2 2.96Å; R312-R316 WeakPolarHBondContact O-CD 3.5Å; R312-R316 VanDerWaalsContact O-CG 3.25Å; R312-R316 WeakPolarHBondContact O-CG 3.41Å; R312-R316 PolarHBondContact O-N 3.37Å
313	Y	83.4	Confident	82.7	Confident	45 Å²	45	64.3 Å²	64.3	18%	0.176	30%	0.296	C	S	.	.	H	α-helix	trans	-74.6	-37.2	171.8	-68.1	-57.7	0	0	0	112.3	Q309 L310 E311 R316 N317 D318 A322 Y325	Q309-Y313 HydrophobicContact CG-CE2 3.86Å; Q309-Y313 PolarHBondContact NE2-OH 2.99Å; Q309-Y313 WeakPolarHBondContact O-CD2 3.31Å; Q309-Y313 PolarHBondContact O-N 3.4Å; L310-Y313 PolarHBondContact O-N 2.87Å; E311-Y313 PolarHBondContact O-N 2.93Å; Y313-R316 PolarHBondContact O-N 3.24Å; Y313-N317 PolarHBondContact O-N 3.42Å; Y313-D318 PolarHBondContact O-N 3.42Å; Y313-A322 HydrophobicContact CG-CB 4.49Å; Y313-Y325 HydrophobicContact CE2-CD1 4.28Å; Y313-Y325 HydrophobicContact CE2-CD2 4.39Å; Y313-Y325 AromaticContact CE2-CG 3.95Å; Y313-Y325 HydrophobicContact CE2-CG 3.95Å
314	K	82.7	Confident	83.1	Confident	79 Å²	79	63.8 Å²	63.8	34%	0.343	30%	0.296	S	S	.	.	H	α-helix	trans	-65	-44.4	174.1	-66.9	168.7	176.2	177.6	0	111.7	L310 E311 R316 N317	L310-K314 PolarHBondContact O-N 2.83Å; E311-K314 CarbonylContact O-C 3.57Å; E311-K314 WeakPolarHBondContact O-CA 3.28Å; E311-K314 WeakPolarHBondContact O-CB 3.4Å; E311-K314 PolarHBondContact O-N 2.91Å; E311-K314 IonicContact OE1-NZ 3.9Å; E311-K314 PolarHBondContact OE1-NZ 3.11Å; E311-K314 WeakPolarHBondContact OE2-CD 3.45Å; E311-K314 IonicContact OE2-NZ 3.19Å; E311-K314 PolarHBondContact OE2-NZ 3.4Å; K314-R316 PolarHBondContact O-N 3.3Å; K314-N317 WeakPolarHBondContact O-CA 3.44Å; K314-N317 PolarHBondContact O-N 3.1Å
315	E	83.8	Confident	83.6	Confident	157 Å²	157	62.7 Å²	62.7	73%	0.734	29%	0.286	S	S	*	.	H	α-helix	trans	-58.3	-35.3	176.2	-72	176.1	162.5	0	0	112.6	E311 N317	E311-E315 WeakPolarHBondContact O-CG 3.46Å; E311-E315 PolarHBondContact O-N 2.91Å; E315-N317 VanDerWaalsContact C-N 3.28Å
316	R	82.2	Confident	84	Confident	191 Å²	191	58.2 Å²	58.2	72%	0.721	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.2	176	-68.2	172.7	-175.5	-164.1	-1.2	113.9	R312 Y313 K314 D318	R312-R316 WeakPolarHBondContact O-CD 3.5Å; R312-R316 VanDerWaalsContact O-CG 3.25Å; R312-R316 WeakPolarHBondContact O-CG 3.41Å; R312-R316 PolarHBondContact O-N 3.37Å; Y313-R316 PolarHBondContact O-N 3.24Å; K314-R316 PolarHBondContact O-N 3.3Å; R316-D318 HydrophobicContact CB-CB 4.43Å; R316-D318 PolarHBondContact O-N 2.96Å
317	N	79.4	Confident	84.2	Confident	123 Å²	123	57 Å²	57	66%	0.658	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	34.7	-170.2	-157.2	52.5	0	0	0	113.7	Y313 K314 E315 V319	Y313-N317 PolarHBondContact O-N 3.42Å; K314-N317 WeakPolarHBondContact O-CA 3.44Å; K314-N317 PolarHBondContact O-N 3.1Å; E315-N317 VanDerWaalsContact C-N 3.28Å; N317-V319 PolarHBondContact O-N 3.35Å
318	D	85.2	Confident	84.4	Confident	57 Å²	57	55.1 Å²	55.1	31%	0.305	26%	0.256	S	S	.	.			trans	-98.7	79.6	179.6	-173.5	-5.3	0	0	0	110.7	Y313 R316 I320 S321 A322	Y313-D318 PolarHBondContact O-N 3.42Å; R316-D318 HydrophobicContact CB-CB 4.43Å; R316-D318 PolarHBondContact O-N 2.96Å; D318-I320 VanDerWaalsContact C-N 3.26Å; D318-I320 PolarHBondContact O-N 2.94Å; D318-I320 PolarHBondContact OD1-N 3.04Å; D318-S321 VanDerWaalsContact CG-CB 3.43Å; D318-S321 VanDerWaalsContact CG-OG 3.24Å; D318-S321 PolarHBondContact O-N 3.21Å; D318-S321 PolarHBondContact OD1-N 2.74Å; D318-S321 PolarHBondContact OD1-OG 3.19Å; D318-S321 WeakPolarHBondContact OD2-CB 3.3Å; D318-S321 PolarHBondContact OD2-OG 2.87Å; D318-A322 WeakPolarHBondContact O-CB 3.27Å; D318-A322 PolarHBondContact O-N 3.41Å; D318-A322 VanDerWaalsContact O-N 3.08Å
319	V	83.9	Confident	84.6	Confident	13 Å²	13	51.1 Å²	51.1	8%	0.079	24%	0.238	C	C	.	.	H	α-helix	trans	-64.3	-32.6	-179.7	-175.1	0	0	0	0	111.4	N317 A322 S323 K351 L355 E358	N317-V319 PolarHBondContact O-N 3.35Å; V319-A322 PolarHBondContact O-N 3Å; V319-S323 WeakPolarHBondContact O-CB 3.32Å; V319-S323 PolarHBondContact O-N 3.34Å; V319-S323 PolarHBondContact O-OG 3.42Å; V319-K351 HydrophobicContact CG1-CD 4.15Å; V319-L355 HydrophobicContact CB-CD2 4.22Å; V319-L355 HydrophobicContact CG1-CD2 3.7Å; V319-L355 HydrophobicContact CG1-CG 3.86Å; V319-E358 WeakPolarHBondContact CB-OE2 3.3Å; V319-E358 VanDerWaalsContact CG2-OE1 3.24Å; V319-E358 WeakPolarHBondContact CG2-OE1 3.42Å
320	I	84.8	Confident	84.7	Confident	18 Å²	18	50 Å²	50	9%	0.092	24%	0.235	C	C	.	.	H	α-helix	trans	-63.8	-52.3	178.1	-70.5	173	0	0	0	110.9	D318 A322 S323 L324 L355 K377 Y378 V381	D318-I320 VanDerWaalsContact C-N 3.26Å; D318-I320 PolarHBondContact O-N 2.94Å; D318-I320 PolarHBondContact OD1-N 3.04Å; I320-A322 VanDerWaalsContact C-N 3.33Å; I320-A322 PolarHBondContact O-N 3.16Å; I320-S323 PolarHBondContact O-N 2.89Å; I320-L324 HydrophobicContact CG2-CD1 3.99Å; I320-L324 WeakPolarHBondContact O-CG 3.35Å; I320-L324 PolarHBondContact O-N 3.01Å; I320-L355 HydrophobicContact CG1-CD2 3.87Å; I320-K377 HydrophobicContact CD1-CD 4.09Å; I320-K377 HydrophobicContact CD1-CG 4.18Å; I320-Y378 HydrophobicContact CD1-CD1 3.92Å; I320-Y378 HydrophobicContact CD1-CE1 3.71Å; I320-Y378 HydrophobicContact CD1-CE2 4.38Å; I320-Y378 HydrophobicContact CD1-CG 4.33Å; I320-Y378 HydrophobicContact CG1-CD1 4.13Å; I320-Y378 HydrophobicContact CG1-CE1 3.95Å; I320-V381 HydrophobicContact CG2-CG1 4.2Å; I320-V381 HydrophobicContact CG2-CG2 3.99Å
321	S	86	Confident	84.6	Confident	38 Å²	38	56.4 Å²	56.4	27%	0.266	26%	0.259	S	S	.	.	H	α-helix	trans	-65.5	-37.3	178.6	-65	0	0	0	0	111.9	D318 L324 Y325	D318-S321 VanDerWaalsContact CG-CB 3.43Å; D318-S321 VanDerWaalsContact CG-OG 3.24Å; D318-S321 PolarHBondContact O-N 3.21Å; D318-S321 PolarHBondContact OD1-N 2.74Å; D318-S321 PolarHBondContact OD1-OG 3.19Å; D318-S321 WeakPolarHBondContact OD2-CB 3.3Å; D318-S321 PolarHBondContact OD2-OG 2.87Å; S321-L324 PolarHBondContact O-N 3.36Å; S321-Y325 VanDerWaalsContact O-CB 3.26Å; S321-Y325 WeakPolarHBondContact O-CB 3.47Å; S321-Y325 PolarHBondContact O-N 2.83Å
322	A	86.8	Confident	84.4	Confident	2 Å²	2	57.6 Å²	57.6	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-59.7	-47.9	174.2	0	0	0	0	0	112.1	L310 Y313 D318 V319 I320 Y325 L326	L310-A322 HydrophobicContact CD1-CB 4.21Å; Y313-A322 HydrophobicContact CG-CB 4.49Å; D318-A322 WeakPolarHBondContact O-CB 3.27Å; D318-A322 PolarHBondContact O-N 3.41Å; D318-A322 VanDerWaalsContact O-N 3.08Å; V319-A322 PolarHBondContact O-N 3Å; I320-A322 VanDerWaalsContact C-N 3.33Å; I320-A322 PolarHBondContact O-N 3.16Å; A322-Y325 PolarHBondContact O-N 3.37Å; A322-L326 WeakPolarHBondContact O-CG 3.37Å; A322-L326 PolarHBondContact O-N 3.39Å
323	S	86.7	Confident	84.1	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-41.2	179	-66.1	0	0	0	0	112.8	V319 I320 L327 L348 K351 L355	V319-S323 WeakPolarHBondContact O-CB 3.32Å; V319-S323 PolarHBondContact O-N 3.34Å; V319-S323 PolarHBondContact O-OG 3.42Å; I320-S323 PolarHBondContact O-N 2.89Å; S323-L327 VanDerWaalsContact O-CB 3.31Å; S323-L327 WeakPolarHBondContact O-CB 3.17Å; S323-L327 PolarHBondContact O-N 2.81Å; S323-L348 WeakPolarHBondContact O-CD1 3.38Å; S323-K351 WeakPolarHBondContact OG-CB 3.41Å; S323-L355 WeakPolarHBondContact OG-CD1 3.24Å
324	L	87.2	Confident	83.8	Confident	49 Å²	49	58.6 Å²	58.6	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-68.2	-37.8	176.9	-69.5	174.5	0	0	0	112	I320 S321 L327 D328 V381 K384	I320-L324 HydrophobicContact CG2-CD1 3.99Å; I320-L324 WeakPolarHBondContact O-CG 3.35Å; I320-L324 PolarHBondContact O-N 3.01Å; S321-L324 PolarHBondContact O-N 3.36Å; L324-L327 PolarHBondContact O-N 2.93Å; L324-D328 PolarHBondContact O-N 2.82Å; L324-V381 HydrophobicContact CD2-CG1 4.32Å; L324-V381 HydrophobicContact CG-CG1 4.33Å; L324-K384 HydrophobicContact CD2-CD 4.25Å
325	Y	85.1	Confident	83.2	Confident	32 Å²	32	60.6 Å²	60.6	13%	0.125	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-49.4	173.6	177.2	-109.5	0	0	0	111.6	E306 Q309 L310 Y313 S321 A322 L327 D328 V329 V334 F340	E306-Y325 WeakPolarHBondContact CA-OH 3.34Å; Q309-Y325 HydrophobicContact CG-CE1 4.39Å; Q309-Y325 HydrophobicContact CG-CE2 4.17Å; L310-Y325 HydrophobicContact CD1-CD1 4.47Å; Y313-Y325 HydrophobicContact CE2-CD1 4.28Å; Y313-Y325 HydrophobicContact CE2-CD2 4.39Å; Y313-Y325 AromaticContact CE2-CG 3.95Å; Y313-Y325 HydrophobicContact CE2-CG 3.95Å; S321-Y325 VanDerWaalsContact O-CB 3.26Å; S321-Y325 WeakPolarHBondContact O-CB 3.47Å; S321-Y325 PolarHBondContact O-N 2.83Å; A322-Y325 PolarHBondContact O-N 3.37Å; Y325-L327 VanDerWaalsContact C-N 3.31Å; Y325-L327 PolarHBondContact O-N 3.26Å; Y325-D328 PolarHBondContact O-N 3.4Å; Y325-V329 HydrophobicContact CE1-CG2 4.34Å; Y325-V329 HydrophobicContact CE2-CG2 4.31Å; Y325-V329 VanDerWaalsContact O-CG2 3.28Å; Y325-V329 WeakPolarHBondContact O-CG2 3.44Å; Y325-V329 PolarHBondContact O-N 2.92Å; Y325-V334 HydrophobicContact CE2-CG1 4Å; Y325-V334 HydrophobicContact CE2-CG2 4.48Å; Y325-F340 AromaticContact CE1-CE1 3.96Å; Y325-F340 HydrophobicContact CE1-CE1 3.96Å; Y325-F340 AromaticContact CE1-CZ 3.96Å; Y325-F340 HydrophobicContact CE1-CZ 3.96Å
326	L	87.7	Confident	82.8	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-60.8	-39.3	176	-71.9	169.2	0	0	0	112	L310 A322 V329 C330 F340 L347 L348 K351	L310-L326 HydrophobicContact CD1-CD1 4.02Å; L310-L326 HydrophobicContact CD1-CD2 4.17Å; L310-L326 HydrophobicContact CD1-CG 3.98Å; L310-L326 HydrophobicContact CD2-CD2 4.16Å; A322-L326 WeakPolarHBondContact O-CG 3.37Å; A322-L326 PolarHBondContact O-N 3.39Å; L326-V329 PolarHBondContact O-N 2.84Å; L326-C330 PolarHBondContact O-N 2.9Å; L326-C330 PolarHBondContact O-SG 2.74Å; L326-F340 HydrophobicContact CD2-CZ 4.21Å; L326-L347 HydrophobicContact CD1-CB 3.9Å; L326-L347 HydrophobicContact CD2-CB 4.13Å; L326-L347 HydrophobicContact CD2-CD1 4.47Å; L326-L348 HydrophobicContact CB-CB 4.32Å; L326-L348 HydrophobicContact CB-CD1 3.86Å; L326-K351 HydrophobicContact CD1-CG 4.09Å
327	L	86.8	Confident	82.5	Confident	1 Å²	1	47 Å²	47	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-63.2	-46.5	175.9	-177.5	68.3	0	0	0	112	S323 L324 Y325 V329 C330 R331 L348 K384 V385 T388	S323-L327 VanDerWaalsContact O-CB 3.31Å; S323-L327 WeakPolarHBondContact O-CB 3.17Å; S323-L327 PolarHBondContact O-N 2.81Å; L324-L327 PolarHBondContact O-N 2.93Å; Y325-L327 VanDerWaalsContact C-N 3.31Å; Y325-L327 PolarHBondContact O-N 3.26Å; L327-V329 VanDerWaalsContact C-N 3.27Å; L327-V329 PolarHBondContact O-N 2.82Å; L327-C330 PolarHBondContact O-N 3.28Å; L327-R331 WeakPolarHBondContact O-CG 3.45Å; L327-R331 PolarHBondContact O-N 2.92Å; L327-L348 HydrophobicContact CB-CD1 4.17Å; L327-L348 HydrophobicContact CD1-CD2 4Å; L327-K384 HydrophobicContact CD2-CG 4.32Å; L327-V385 HydrophobicContact CD2-CG2 4.35Å; L327-T388 HydrophobicContact CD1-CG2 3.97Å; L327-T388 HydrophobicContact CD2-CG2 4.23Å; L327-T388 HydrophobicContact CG-CG2 4.33Å
328	D	85.9	Confident	82.4	Confident	48 Å²	48	47.2 Å²	47.2	26%	0.257	23%	0.234	S	C	.	.	H	α-helix	trans	-70.2	-23.9	179.6	-81.2	-9.7	0	0	0	112.7	L324 Y325 K333 V334	L324-D328 PolarHBondContact O-N 2.82Å; Y325-D328 PolarHBondContact O-N 3.4Å; D328-K333 HydrophobicContact CB-CB 4.22Å; D328-K333 HydrophobicContact CB-CD 4.22Å; D328-K333 WeakPolarHBondContact O-CB 3.39Å; D328-K333 PolarHBondContact O-N 2.88Å; D328-K333 VanDerWaalsContact OD1-CD 3.25Å; D328-K333 WeakPolarHBondContact OD1-CD 3.42Å; D328-K333 WeakPolarHBondContact OD1-CE 3.38Å; D328-K333 IonicContact OD1-NZ 3.75Å; D328-K333 PolarHBondContact OD1-NZ 2.95Å; D328-K333 IonicContact OD2-NZ 3.98Å; D328-V334 HydrophobicContact CB-CG2 4.05Å; D328-V334 PolarHBondContact O-N 2.72Å; D328-V334 VanDerWaalsContact O-N 3.11Å
329	V	85.6	Confident	82.1	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-70.2	-47.7	167.1	169.5	0	0	0	0	111.2	Y325 L326 L327 R331 D332 V334 A336 F340 K341	Y325-V329 HydrophobicContact CE1-CG2 4.34Å; Y325-V329 HydrophobicContact CE2-CG2 4.31Å; Y325-V329 VanDerWaalsContact O-CG2 3.28Å; Y325-V329 WeakPolarHBondContact O-CG2 3.44Å; Y325-V329 PolarHBondContact O-N 2.92Å; L326-V329 PolarHBondContact O-N 2.84Å; L327-V329 VanDerWaalsContact C-N 3.27Å; L327-V329 PolarHBondContact O-N 2.82Å; V329-R331 PolarHBondContact O-N 3.42Å; V329-D332 PolarHBondContact O-N 3.2Å; V329-V334 HydrophobicContact CG2-CB 3.73Å; V329-V334 HydrophobicContact CG2-CG1 3.77Å; V329-V334 HydrophobicContact CG2-CG2 4.48Å; V329-A336 HydrophobicContact CG1-CB 3.96Å; V329-A336 HydrophobicContact CG2-CB 4.45Å; V329-F340 HydrophobicContact CG1-CD1 3.86Å; V329-F340 HydrophobicContact CG1-CE1 4.02Å; V329-F340 HydrophobicContact CG2-CE1 4.05Å; V329-K341 HydrophobicContact CG1-CG 4.11Å
330	C	84.4	Confident	82.1	Confident	28 Å²	28	49.5 Å²	49.5	19%	0.189	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-21.4	176.8	-64.3	0	0	0	0	113.2	L326 L327 S344	L326-C330 PolarHBondContact O-N 2.9Å; L326-C330 PolarHBondContact O-SG 2.74Å; L327-C330 PolarHBondContact O-N 3.28Å; C330-S344 PolarHBondContact SG-OG 2.85Å
331	R	82.4	Confident	82	Confident	137 Å²	137	51.3 Å²	51.3	52%	0.517	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	7.1	174.9	-68.2	-168.9	81.4	159.3	0.6	114.9	L327 V329 K333 T388	L327-R331 WeakPolarHBondContact O-CG 3.45Å; L327-R331 PolarHBondContact O-N 2.92Å; V329-R331 PolarHBondContact O-N 3.42Å; R331-K333 HydrophobicContact CB-CG 4.24Å; R331-K333 PolarHBondContact O-N 2.85Å; R331-T388 VanDerWaalsContact CD-CG2 3.46Å; R331-T388 HydrophobicContact CG-CG2 4.26Å
332	D	80.1	Confident	81.9	Confident	104 Å²	104	57.7 Å²	57.7	56%	0.556	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	14.4	-174.4	-71.3	-33.7	0	0	0	115.8	V329 K341	V329-D332 PolarHBondContact O-N 3.2Å; D332-K341 WeakPolarHBondContact OD1-CE 3.3Å; D332-K341 IonicContact OD1-NZ 2.67Å; D332-K341 PolarHBondContact OD1-NZ 2.92Å
333	K	77	Confident	81.9	Confident	108 Å²	108	61.6 Å²	61.6	47%	0.47	29%	0.287	S	S	.	.	S	Bend	trans	-70.9	-41.2	173.3	-66.5	178.8	-174.1	168.8	0	110.9	D328 R331	D328-K333 HydrophobicContact CB-CB 4.22Å; D328-K333 HydrophobicContact CB-CD 4.22Å; D328-K333 WeakPolarHBondContact O-CB 3.39Å; D328-K333 PolarHBondContact O-N 2.88Å; D328-K333 VanDerWaalsContact OD1-CD 3.25Å; D328-K333 WeakPolarHBondContact OD1-CD 3.42Å; D328-K333 WeakPolarHBondContact OD1-CE 3.38Å; D328-K333 IonicContact OD1-NZ 3.75Å; D328-K333 PolarHBondContact OD1-NZ 2.95Å; D328-K333 IonicContact OD2-NZ 3.98Å; R331-K333 HydrophobicContact CB-CG 4.24Å; R331-K333 PolarHBondContact O-N 2.85Å
334	V	75.3	Confident	81.9	Confident	44 Å²	44	61.6 Å²	61.6	27%	0.267	29%	0.287	S	S	.	.	S	Bend	trans	-92.3	123.1	170.6	175.8	0	0	0	0	108.4	Y325 D328 V329 A336	Y325-V334 HydrophobicContact CE2-CG1 4Å; Y325-V334 HydrophobicContact CE2-CG2 4.48Å; D328-V334 HydrophobicContact CB-CG2 4.05Å; D328-V334 PolarHBondContact O-N 2.72Å; D328-V334 VanDerWaalsContact O-N 3.11Å; V329-V334 HydrophobicContact CG2-CB 3.73Å; V329-V334 HydrophobicContact CG2-CG1 3.77Å; V329-V334 HydrophobicContact CG2-CG2 4.48Å; V334-A336 PolarHBondContact O-N 3.22Å
335	R	70.2	Confident	81.7	Confident	122 Å²	122	64.2 Å²	64.2	46%	0.46	30%	0.297	S	S	.	.			trans	-75.5	105.3	174.7	-74.4	177.9	163.7	178.6	-20	109.2	H217 D232 E234	H217-R335 PolarHBondContact ND1-NH1 3.26Å; H217-R335 VanDerWaalsContact ND1-NH1 3.13Å; D232-R335 IonicContact OD2-NH1 3.62Å; E234-R335 IonicContact OE2-CZ 3.31Å; E234-R335 VanDerWaalsContact OE2-CZ 3.3Å; E234-R335 IonicContact OE2-NH1 3.26Å; E234-R335 PolarHBondContact OE2-NH1 2.71Å; E234-R335 IonicContact OE2-NH2 3.7Å; E234-R335 PolarHBondContact OE2-NH2 3.4Å
336	A	76.1	Confident	81.8	Confident	15 Å²	15	66.9 Å²	66.9	12%	0.124	32%	0.321	C	S	.	.			trans	-121.1	164.6	174.9	0	0	0	0	0	112.2	E306 V329 V334 F340 K341	E306-A336 HydrophobicContact CG-CB 3.85Å; E306-A336 VanDerWaalsContact OE1-CA 3.26Å; E306-A336 WeakPolarHBondContact OE1-CA 3.21Å; V329-A336 HydrophobicContact CG1-CB 3.96Å; V329-A336 HydrophobicContact CG2-CB 4.45Å; V334-A336 PolarHBondContact O-N 3.22Å; A336-F340 HydrophobicContact CB-CD1 3.74Å; A336-K341 HydrophobicContact CB-CG 4.36Å; A336-K341 VanDerWaalsContact O-CE 3.3Å; A336-K341 WeakPolarHBondContact O-CE 3.42Å
337	S	76.2	Confident	81.8	Confident	47 Å²	47	68.3 Å²	68.3	33%	0.329	33%	0.328	S	S	.	.			trans	-60.8	148.2	173.7	67.7	0	0	0	0	113.2	E306 M339 F340 K341	E306-S337 PolarHBondContact OE1-N 2.84Å; S337-M339 PolarHBondContact O-N 2.88Å; S337-F340 PolarHBondContact O-N 3.12Å; S337-F340 VanDerWaalsContact O-N 3.11Å; S337-F340 WeakPolarHBondContact OG-CB 3.36Å; S337-F340 PolarHBondContact OG-N 3Å; S337-K341 PolarHBondContact O-N 2.8Å
338	E	77.2	Confident	81.8	Confident	128 Å²	128	68.3 Å²	68.3	60%	0.598	33%	0.328	S	S	*	.	H	α-helix	trans	-54.5	-37.9	-179.9	-165.4	85.7	-165.9	0	0	112.8	R342	E338-R342 WeakPolarHBondContact O-CG 3.29Å; E338-R342 PolarHBondContact O-N 2.87Å; E338-R342 IonicContact OE1-NH2 3.8Å
339	M	79.4	Confident	81.8	Confident	118 Å²	118	67.4 Å²	67.4	58%	0.581	33%	0.327	S	S	*	.	H	α-helix	trans	-66.2	-49.4	177	-67.3	-64.1	-64.5	0	0	111.1	S337 K341 R342 E343	S337-M339 PolarHBondContact O-N 2.88Å; M339-K341 VanDerWaalsContact C-N 3.31Å; M339-K341 PolarHBondContact O-N 3.45Å; M339-R342 PolarHBondContact O-N 2.99Å; M339-R342 VanDerWaalsContact O-N 3.14Å; M339-E343 PolarHBondContact O-N 3.37Å
340	F	83.4	Confident	82	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-61.6	-38.4	179.3	-171.4	-108.8	0	0	0	112.1	E306 W307 L310 Y325 L326 V329 A336 S337 R342 E343 S344	E306-F340 HydrophobicContact CB-CD1 3.77Å; E306-F340 HydrophobicContact CB-CD2 4.35Å; E306-F340 HydrophobicContact CB-CE1 3.8Å; E306-F340 HydrophobicContact CB-CE2 4.4Å; E306-F340 HydrophobicContact CB-CG 4.04Å; E306-F340 HydrophobicContact CB-CZ 4.13Å; E306-F340 HydrophobicContact CG-CD1 4.39Å; W307-F340 AromaticContact CD2-CD2 3.67Å; W307-F340 HydrophobicContact CD2-CD2 3.67Å; W307-F340 AromaticContact CD2-CE2 3.77Å; W307-F340 HydrophobicContact CD2-CE2 3.77Å; W307-F340 AromaticContact CE2-CD2 3.54Å; W307-F340 AromaticContact CE3-CD2 3.91Å; W307-F340 HydrophobicContact CE3-CD2 3.91Å; W307-F340 AromaticContact CE3-CE2 3.6Å; W307-F340 HydrophobicContact CE3-CE2 3.6Å; W307-F340 HydrophobicContact CG-CD2 4.29Å; W307-F340 HydrophobicContact CG-CE2 4.42Å; W307-F340 AromaticContact CH2-CD2 3.86Å; W307-F340 HydrophobicContact CH2-CD2 3.86Å; W307-F340 HydrophobicContact CH2-CE2 4.1Å; W307-F340 AromaticContact CZ2-CD2 3.65Å; W307-F340 HydrophobicContact CZ2-CD2 3.65Å; W307-F340 HydrophobicContact CZ2-CE2 4.28Å; W307-F340 AromaticContact CZ3-CD2 3.99Å; W307-F340 HydrophobicContact CZ3-CD2 3.99Å; W307-F340 AromaticContact CZ3-CE2 3.77Å; W307-F340 HydrophobicContact CZ3-CE2 3.77Å; L310-F340 HydrophobicContact CB-CZ 4.43Å; L310-F340 HydrophobicContact CD2-CE2 4.22Å; L310-F340 HydrophobicContact CD2-CZ 4.27Å; Y325-F340 AromaticContact CE1-CE1 3.96Å; Y325-F340 HydrophobicContact CE1-CE1 3.96Å; Y325-F340 AromaticContact CE1-CZ 3.96Å; Y325-F340 HydrophobicContact CE1-CZ 3.96Å; L326-F340 HydrophobicContact CD2-CZ 4.21Å; V329-F340 HydrophobicContact CG1-CD1 3.86Å; V329-F340 HydrophobicContact CG1-CE1 4.02Å; V329-F340 HydrophobicContact CG2-CE1 4.05Å; A336-F340 HydrophobicContact CB-CD1 3.74Å; S337-F340 PolarHBondContact O-N 3.12Å; S337-F340 VanDerWaalsContact O-N 3.11Å; S337-F340 WeakPolarHBondContact OG-CB 3.36Å; S337-F340 PolarHBondContact OG-N 3Å; F340-R342 VanDerWaalsContact C-N 3.33Å; F340-R342 PolarHBondContact O-N 3.18Å; F340-E343 PolarHBondContact O-N 3.28Å; F340-S344 VanDerWaalsContact O-CB 3.23Å; F340-S344 WeakPolarHBondContact O-CB 3.48Å; F340-S344 PolarHBondContact O-N 3.43Å; F340-S344 PolarHBondContact O-OG 2.94Å
341	K	83.3	Confident	82.1	Confident	55 Å²	55	72.3 Å²	72.3	24%	0.239	35%	0.347	C	S	.	.	H	α-helix	trans	-62.8	-34.8	175.5	-69.4	-175.5	-173.1	-177.4	0	113.9	V329 D332 A336 S337 M339 S344 H345	V329-K341 HydrophobicContact CG1-CG 4.11Å; D332-K341 WeakPolarHBondContact OD1-CE 3.3Å; D332-K341 IonicContact OD1-NZ 2.67Å; D332-K341 PolarHBondContact OD1-NZ 2.92Å; A336-K341 HydrophobicContact CB-CG 4.36Å; A336-K341 VanDerWaalsContact O-CE 3.3Å; A336-K341 WeakPolarHBondContact O-CE 3.42Å; S337-K341 PolarHBondContact O-N 2.8Å; M339-K341 VanDerWaalsContact C-N 3.31Å; M339-K341 PolarHBondContact O-N 3.45Å; K341-S344 WeakPolarHBondContact CA-OG 3.13Å; K341-S344 PolarHBondContact O-OG 3.14Å; K341-H345 PolarHBondContact O-CD2 3.27Å; K341-H345 VanDerWaalsContact O-CD2 3.3Å
342	R	83.7	Confident	82.3	Confident	172 Å²	172	65.8 Å²	65.8	65%	0.649	32%	0.323	S	S	*	.	H	α-helix	trans	-70.2	-44.8	177.7	-71.6	174.9	-176	-160.5	-0.1	110.7	E338 M339 F340	E338-R342 WeakPolarHBondContact O-CG 3.29Å; E338-R342 PolarHBondContact O-N 2.87Å; E338-R342 IonicContact OE1-NH2 3.8Å; M339-R342 PolarHBondContact O-N 2.99Å; M339-R342 VanDerWaalsContact O-N 3.14Å; F340-R342 VanDerWaalsContact C-N 3.33Å; F340-R342 PolarHBondContact O-N 3.18Å
343	E	86.9	Confident	82.6	Confident	85 Å²	85	65.7 Å²	65.7	40%	0.397	32%	0.318	S	S	.	.	H	α-helix	trans	-74.7	-28	180	-68.1	175.3	-163.2	0	0	112.1	W307 M339 F340 H345 S346 L347	W307-E343 HydrophobicContact CH2-CB 4.25Å; W307-E343 WeakPolarHBondContact CH2-OE2 3.33Å; W307-E343 WeakPolarHBondContact CZ2-OE2 3.46Å; M339-E343 PolarHBondContact O-N 3.37Å; F340-E343 PolarHBondContact O-N 3.28Å; E343-H345 VanDerWaalsContact C-N 3.26Å; E343-H345 PolarHBondContact O-N 2.64Å; E343-S346 WeakPolarHBondContact O-CB 3.13Å; E343-S346 PolarHBondContact O-N 2.97Å; E343-L347 HydrophobicContact CB-CD1 4.49Å; E343-L347 WeakPolarHBondContact O-CG 3.29Å; E343-L347 PolarHBondContact O-N 2.91Å
344	S	86.1	Confident	83	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62	-28.7	179.6	64.3	0	0	0	0	113.7	C330 F340 K341 L348	C330-S344 PolarHBondContact SG-OG 2.85Å; F340-S344 VanDerWaalsContact O-CB 3.23Å; F340-S344 WeakPolarHBondContact O-CB 3.48Å; F340-S344 PolarHBondContact O-N 3.43Å; F340-S344 PolarHBondContact O-OG 2.94Å; K341-S344 WeakPolarHBondContact CA-OG 3.13Å; K341-S344 PolarHBondContact O-OG 3.14Å; S344-L348 WeakPolarHBondContact O-CB 3.19Å; S344-L348 PolarHBondContact O-N 2.94Å
345	H	83.1	Confident	83.6	Confident	103 Å²	103	59.9 Å²	59.9	48%	0.477	29%	0.293	S	S	.	.	H	α-helix	trans	-64.9	-41.4	172.8	-77.2	-77.5	0	0	0	112.2	K341 E343 A349	K341-H345 PolarHBondContact O-CD2 3.27Å; K341-H345 VanDerWaalsContact O-CD2 3.3Å; E343-H345 VanDerWaalsContact C-N 3.26Å; E343-H345 PolarHBondContact O-N 2.64Å; H345-A349 PolarHBondContact O-N 2.99Å
346	S	86.7	Confident	84.3	Confident	88 Å²	88	54.1 Å²	54.1	62%	0.615	27%	0.272	S	S	*	.	H	α-helix	trans	-69.1	-43.7	176.3	-168.2	0	0	0	0	111.3	E343 L348 A349 E350	E343-S346 WeakPolarHBondContact O-CB 3.13Å; E343-S346 PolarHBondContact O-N 2.97Å; S346-L348 VanDerWaalsContact C-N 3.31Å; S346-L348 PolarHBondContact O-N 3.06Å; S346-A349 PolarHBondContact O-N 2.9Å; S346-E350 PolarHBondContact O-N 2.79Å
347	L	87.3	Confident	84.8	Confident	31 Å²	31	57.3 Å²	57.3	16%	0.162	29%	0.29	C	S	.	.	H	α-helix	trans	-65.8	-33.5	178	-65.4	167.2	0	0	0	112	W307 L310 L326 E343 E350 K351	W307-L347 HydrophobicContact CH2-CD1 4.04Å; W307-L347 HydrophobicContact CZ3-CD1 3.84Å; L310-L347 HydrophobicContact CD2-CD1 4Å; L326-L347 HydrophobicContact CD1-CB 3.9Å; L326-L347 HydrophobicContact CD2-CB 4.13Å; L326-L347 HydrophobicContact CD2-CD1 4.47Å; E343-L347 HydrophobicContact CB-CD1 4.49Å; E343-L347 WeakPolarHBondContact O-CG 3.29Å; E343-L347 PolarHBondContact O-N 2.91Å; L347-E350 PolarHBondContact O-N 3Å; L347-K351 WeakPolarHBondContact O-CB 3.28Å; L347-K351 VanDerWaalsContact O-CG 3.32Å; L347-K351 WeakPolarHBondContact O-CG 3.47Å; L347-K351 PolarHBondContact O-N 3.42Å
348	L	88.4	Confident	85.2	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-65.7	-41.5	174.9	-174.2	67.6	0	0	0	111.2	S323 L326 L327 S344 S346 K351 A352 V385	S323-L348 WeakPolarHBondContact O-CD1 3.38Å; L326-L348 HydrophobicContact CB-CB 4.32Å; L326-L348 HydrophobicContact CB-CD1 3.86Å; L327-L348 HydrophobicContact CB-CD1 4.17Å; L327-L348 HydrophobicContact CD1-CD2 4Å; S344-L348 WeakPolarHBondContact O-CB 3.19Å; S344-L348 PolarHBondContact O-N 2.94Å; S346-L348 VanDerWaalsContact C-N 3.31Å; S346-L348 PolarHBondContact O-N 3.06Å; L348-K351 PolarHBondContact O-N 2.95Å; L348-A352 WeakPolarHBondContact O-CB 3.41Å; L348-A352 PolarHBondContact O-N 3.09Å; L348-V385 HydrophobicContact CD1-CG1 3.8Å; L348-V385 HydrophobicContact CG-CG1 4.14Å
349	A	86.1	Confident	85.5	Confident	28 Å²	28	51.2 Å²	51.2	23%	0.231	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-44.7	175.2	0	0	0	0	0	111.9	H345 S346 K351 A352 H353 L391	H345-A349 PolarHBondContact O-N 2.99Å; S346-A349 PolarHBondContact O-N 2.9Å; A349-K351 VanDerWaalsContact C-N 3.34Å; A349-K351 PolarHBondContact O-N 2.97Å; A349-A352 PolarHBondContact O-N 2.75Å; A349-H353 PolarHBondContact O-N 2.73Å; A349-H353 PolarHBondContact O-ND1 3.49Å; A349-L391 HydrophobicContact CB-CD1 4.32Å; A349-L391 HydrophobicContact CB-CD2 4.21Å
350	E	87.8	Confident	85.6	Confident	101 Å²	101	49.1 Å²	49.1	47%	0.472	25%	0.25	S	C	.	.	H	α-helix	trans	-58.6	-44.1	173.7	-171.2	-158.7	132	0	0	111.6	S346 L347 H353 S354	S346-E350 PolarHBondContact O-N 2.79Å; L347-E350 PolarHBondContact O-N 3Å; E350-H353 WeakPolarHBondContact O-CB 3.35Å; E350-H353 PolarHBondContact O-N 3.3Å; E350-S354 PolarHBondContact O-N 2.88Å; E350-S354 PolarHBondContact O-OG 2.74Å
351	K	86.8	Confident	85.4	Confident	31 Å²	31	53 Å²	53	14%	0.135	28%	0.282	C	S	.	.	H	α-helix	trans	-72.7	-27.4	178.9	-68.6	-71.6	157.3	-153	0	113.2	V319 S323 L326 L347 L348 A349 H353 S354 L355	V319-K351 HydrophobicContact CG1-CD 4.15Å; S323-K351 WeakPolarHBondContact OG-CB 3.41Å; L326-K351 HydrophobicContact CD1-CG 4.09Å; L347-K351 WeakPolarHBondContact O-CB 3.28Å; L347-K351 VanDerWaalsContact O-CG 3.32Å; L347-K351 WeakPolarHBondContact O-CG 3.47Å; L347-K351 PolarHBondContact O-N 3.42Å; L348-K351 PolarHBondContact O-N 2.95Å; A349-K351 VanDerWaalsContact C-N 3.34Å; A349-K351 PolarHBondContact O-N 2.97Å; K351-H353 VanDerWaalsContact C-N 3.33Å; K351-S354 WeakPolarHBondContact O-CB 3.36Å; K351-S354 PolarHBondContact O-N 2.87Å; K351-L355 WeakPolarHBondContact O-CG 3.5Å; K351-L355 PolarHBondContact O-N 3.35Å
352	A	87.5	Confident	84.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.3	-36.9	168.9	0	0	0	0	0	112.1	L348 A349 L355 L356 V385 L391 F394	L348-A352 WeakPolarHBondContact O-CB 3.41Å; L348-A352 PolarHBondContact O-N 3.09Å; A349-A352 PolarHBondContact O-N 2.75Å; A352-L355 PolarHBondContact O-N 2.67Å; A352-L356 WeakPolarHBondContact O-CB 3.47Å; A352-L356 PolarHBondContact O-N 2.89Å; A352-V385 HydrophobicContact CB-CG1 4.2Å; A352-L391 HydrophobicContact CB-CD1 4.15Å; A352-F394 HydrophobicContact CB-CD1 4.24Å; A352-F394 HydrophobicContact CB-CE1 3.83Å
353	H	86.5	Confident	84.1	Confident	101 Å²	101	46.1 Å²	46.1	47%	0.468	27%	0.268	S	S	.	.	H	α-helix	trans	-67.3	-37.5	171.2	-70.1	71.7	0	0	0	112.3	A349 E350 K351 T357 F394	A349-H353 PolarHBondContact O-N 2.73Å; A349-H353 PolarHBondContact O-ND1 3.49Å; E350-H353 WeakPolarHBondContact O-CB 3.35Å; E350-H353 PolarHBondContact O-N 3.3Å; K351-H353 VanDerWaalsContact C-N 3.33Å; H353-T357 PolarHBondContact O-N 3.15Å; H353-T357 PolarHBondContact O-OG1 3.11Å; H353-F394 HydrophobicContact CB-CZ 4.44Å; H353-F394 AromaticContact CD2-CE2 3.5Å; H353-F394 AromaticContact CE1-CD2 3.51Å; H353-F394 AromaticContact CE1-CE2 3.31Å; H353-F394 WeakPolarHBondContact CE1-CE2 3.36Å; H353-F394 AromaticContact CG-CE2 3.69Å; H353-F394 AromaticContact CG-CZ 3.85Å; H353-F394 AromaticContact ND1-CE2 3.58Å; H353-F394 AromaticContact ND1-CZ 3.83Å; H353-F394 AromaticContact NE2-CD2 3.68Å; H353-F394 AromaticContact NE2-CE2 3.27Å; H353-F394 VanDerWaalsContact NE2-CE2 3.27Å; H353-F394 WeakPolarHBondContact NE2-CE2 3.46Å
354	S	85.8	Confident	82.7	Confident	30 Å²	30	45.9 Å²	45.9	21%	0.21	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-50.4	173.3	-53.9	0	0	0	0	110.8	E350 K351 L356 T357 E358	E350-S354 PolarHBondContact O-N 2.88Å; E350-S354 PolarHBondContact O-OG 2.74Å; K351-S354 WeakPolarHBondContact O-CB 3.36Å; K351-S354 PolarHBondContact O-N 2.87Å; S354-L356 PolarHBondContact O-N 3.21Å; S354-T357 WeakPolarHBondContact O-CB 3.45Å; S354-T357 PolarHBondContact O-N 3.32Å; S354-E358 PolarHBondContact O-N 3.19Å
355	L	86.5	Confident	81.4	Confident	0 Å²	0	50 Å²	50	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-56.4	-46.9	176.4	-74.5	176.1	0	0	0	112.2	V319 I320 S323 K351 A352 T357 E358 T359 Y378 V381 L382 V385	V319-L355 HydrophobicContact CB-CD2 4.22Å; V319-L355 HydrophobicContact CG1-CD2 3.7Å; V319-L355 HydrophobicContact CG1-CG 3.86Å; I320-L355 HydrophobicContact CG1-CD2 3.87Å; S323-L355 WeakPolarHBondContact OG-CD1 3.24Å; K351-L355 WeakPolarHBondContact O-CG 3.5Å; K351-L355 PolarHBondContact O-N 3.35Å; A352-L355 PolarHBondContact O-N 2.67Å; L355-T357 PolarHBondContact O-N 3.38Å; L355-E358 PolarHBondContact O-N 3.5Å; L355-T359 WeakPolarHBondContact O-CG2 3.31Å; L355-T359 PolarHBondContact O-N 3.49Å; L355-Y378 HydrophobicContact CD2-CD1 4.08Å; L355-Y378 HydrophobicContact CD2-CE1 4.38Å; L355-V381 HydrophobicContact CD1-CG1 4.02Å; L355-L382 HydrophobicContact CB-CD1 4.14Å; L355-V385 HydrophobicContact CD1-CG2 4.39Å
356	L	86.1	Confident	80.4	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-63.1	-31.2	177.1	179.8	63.2	0	0	0	112.4	A352 S354 T359 V360 L382 F394 A398 C399 R402 L403	A352-L356 WeakPolarHBondContact O-CB 3.47Å; A352-L356 PolarHBondContact O-N 2.89Å; S354-L356 PolarHBondContact O-N 3.21Å; L356-T359 PolarHBondContact O-OG1 3.04Å; L356-V360 HydrophobicContact CD1-CG2 4.41Å; L356-V360 WeakPolarHBondContact O-CG2 3.45Å; L356-V360 PolarHBondContact O-N 2.86Å; L356-L382 HydrophobicContact CB-CD1 4.41Å; L356-L382 HydrophobicContact CD1-CD2 4Å; L356-F394 HydrophobicContact CB-CZ 4.17Å; L356-F394 HydrophobicContact CD2-CE1 4.3Å; L356-F394 HydrophobicContact CD2-CE2 4.11Å; L356-F394 HydrophobicContact CD2-CZ 3.55Å; L356-A398 HydrophobicContact CD2-CB 4.28Å; L356-C399 HydrophobicContact CD1-CB 4.31Å; L356-R402 HydrophobicContact CD1-CB 4.42Å; L356-L403 HydrophobicContact CD1-CG 4.45Å
357	T	86.4	Confident	79.6	Confident	81 Å²	81	45.7 Å²	45.7	50%	0.497	32%	0.322	S	S	.	.	H	α-helix	trans	-72	-41.4	175.8	-53.8	0	0	0	0	110.7	H353 S354 L355 V360 A361	H353-T357 PolarHBondContact O-N 3.15Å; H353-T357 PolarHBondContact O-OG1 3.11Å; S354-T357 WeakPolarHBondContact O-CB 3.45Å; S354-T357 PolarHBondContact O-N 3.32Å; L355-T357 PolarHBondContact O-N 3.38Å; T357-V360 PolarHBondContact O-N 3.18Å; T357-A361 WeakPolarHBondContact O-CB 3.17Å; T357-A361 PolarHBondContact O-N 3.3Å
358	E	83.6	Confident	78.9	Confident	47 Å²	47	49.6 Å²	49.6	22%	0.22	34%	0.343	C	S	.	.	H	α-helix	trans	-68.7	-31.8	174.7	-68.4	178.1	163.4	0	0	113.1	V319 S354 L355 H374 Y378	V319-E358 WeakPolarHBondContact CB-OE2 3.3Å; V319-E358 VanDerWaalsContact CG2-OE1 3.24Å; V319-E358 WeakPolarHBondContact CG2-OE1 3.42Å; S354-E358 PolarHBondContact O-N 3.19Å; L355-E358 PolarHBondContact O-N 3.5Å; E358-H374 PolarHBondContact O-CE1 3.27Å; E358-H374 PolarHBondContact O-NE2 3.21Å; E358-Y378 HydrophobicContact CB-CD1 4.38Å; E358-Y378 HydrophobicContact CB-CE1 3.97Å; E358-Y378 WeakPolarHBondContact OE2-CE1 3.24Å
359	T	83.7	Confident	78.2	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-63.1	-49.3	173.2	66.6	0	0	0	0	110.2	L355 L356 G362 H374 Y375 Y378 L382	L355-T359 WeakPolarHBondContact O-CG2 3.31Å; L355-T359 PolarHBondContact O-N 3.49Å; L356-T359 PolarHBondContact O-OG1 3.04Å; T359-G362 PolarHBondContact O-N 3.44Å; T359-H374 PolarHBondContact O-NE2 3.28Å; T359-Y375 WeakPolarHBondContact O-CE1 3.46Å; T359-Y378 HydrophobicContact CG2-CD1 4.46Å; T359-Y378 HydrophobicContact CG2-CG 4.22Å; T359-L382 HydrophobicContact CG2-CD2 4.43Å
360	V	82.8	Confident	77.9	Confident	75 Å²	75	56.1 Å²	56.1	46%	0.455	38%	0.381	S	S	.	.	H	α-helix	trans	-74.1	-28.5	-175.4	176.4	0	0	0	0	112.5	L356 T357 G362 R402	L356-V360 HydrophobicContact CD1-CG2 4.41Å; L356-V360 WeakPolarHBondContact O-CG2 3.45Å; L356-V360 PolarHBondContact O-N 2.86Å; T357-V360 PolarHBondContact O-N 3.18Å; V360-G362 PolarHBondContact O-N 3.46Å; V360-R402 HydrophobicContact CG2-CB 4.21Å
361	A	78	Confident	77.5	Confident	81 Å²	81	53.3 Å²	53.3	67%	0.669	37%	0.368	S	S	*	.	H	α-helix	trans	-61.6	-25.5	174.8	0	0	0	0	0	113.4	T357	T357-A361 WeakPolarHBondContact O-CB 3.17Å; T357-A361 PolarHBondContact O-N 3.3Å
362	G	70.6	Confident	77.2	Confident	22 Å²	22	54.1 Å²	54.1	23%	0.227	37%	0.374	C	S	.	.			trans	64.5	-167.3	174.7	0	0	0	0	0	114.8	T359 V360	T359-G362 PolarHBondContact O-N 3.44Å; V360-G362 PolarHBondContact O-N 3.46Å
363	V	69.1	Low	76.9	Confident	60 Å²	60	56.9 Å²	56.9	36%	0.364	40%	0.397	S	S	.	.			trans	-102.7	109.1	173.2	-175.2	0	0	0	0	108.7	G365 H374	V363-G365 PolarHBondContact O-N 3.18Å; V363-G365 VanDerWaalsContact O-N 3.1Å; V363-H374 HydrophobicContact CG2-CB 3.6Å
364	G	56.9	Low	76.9	Confident	81 Å²	81	53.4 Å²	53.4	84%	0.835	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	110.7	-179.3	0	0	0	0	0	112.6	G366	G364-G366 PolarHBondContact O-N 2.81Å
365	G	58.7	Low	76.8	Confident	87 Å²	87	53 Å²	53	90%	0.897	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	16.8	172.2	0	0	0	0	0	116.4	V363	V363-G365 PolarHBondContact O-N 3.18Å; V363-G365 VanDerWaalsContact O-N 3.1Å
366	G	62.2	Low	76.7	Confident	41 Å²	41	59.4 Å²	59.4	42%	0.423	40%	0.399	S	S	.	.			trans	-82.9	175.5	178.9	0	0	0	0	0	114.6	G364	G364-G366 PolarHBondContact O-N 2.81Å
367	A	70.2	Confident	76.7	Confident	58 Å²	58	65.2 Å²	65.2	48%	0.479	42%	0.424	S	S	.	.			trans	-73.9	156.8	172.1	0	0	0	0	0	110.9	S369 D370 L371	A367-S369 PolarHBondContact O-N 3.25Å; A367-S369 VanDerWaalsContact O-N 3.11Å; A367-D370 WeakPolarHBondContact CB-OD2 3.4Å; A367-D370 PolarHBondContact N-OD2 3.16Å; A367-D370 WeakPolarHBondContact O-CB 3.35Å; A367-D370 PolarHBondContact O-N 3.16Å; A367-L371 PolarHBondContact O-N 3.34Å
368	L	73	Confident	76.7	Confident	113 Å²	113	63.3 Å²	63.3	59%	0.592	41%	0.408	S	S	*	.	H	α-helix	trans	-60	-27	-178.4	-165.2	136.1	0	0	0	112.9	L372 L408	L368-L372 HydrophobicContact CD2-CD1 3.84Å; L368-L372 HydrophobicContact CD2-CG 4.43Å; L368-L372 WeakPolarHBondContact O-CG 3.34Å; L368-L372 PolarHBondContact O-N 2.87Å; L368-L372 VanDerWaalsContact O-N 3.11Å; L368-L408 HydrophobicContact CD1-CD1 4.05Å; L368-L408 HydrophobicContact CD2-CD1 4.4Å; L368-L408 HydrophobicContact CG-CD1 4.1Å
369	S	74.1	Confident	76.9	Confident	86 Å²	86	61.1 Å²	61.1	60%	0.601	40%	0.398	S	S	*	.	H	α-helix	trans	-65.8	-36.8	171.5	-172.5	0	0	0	0	113.3	A367 A373	A367-S369 PolarHBondContact O-N 3.25Å; A367-S369 VanDerWaalsContact O-N 3.11Å; S369-A373 WeakPolarHBondContact O-CB 3.42Å; S369-A373 PolarHBondContact O-N 3.32Å
370	D	78.9	Confident	77.1	Confident	82 Å²	82	67.8 Å²	67.8	44%	0.439	42%	0.423	S	S	.	.	H	α-helix	trans	-72.9	-37.8	-179	-53.6	-42.2	0	0	0	110.6	A367 A373 H374	A367-D370 WeakPolarHBondContact CB-OD2 3.4Å; A367-D370 PolarHBondContact N-OD2 3.16Å; A367-D370 WeakPolarHBondContact O-CB 3.35Å; A367-D370 PolarHBondContact O-N 3.16Å; D370-A373 PolarHBondContact O-N 3.05Å; D370-H374 WeakPolarHBondContact O-CB 3.45Å; D370-H374 PolarHBondContact O-N 2.96Å
371	L	81	Confident	77.2	Confident	41 Å²	41	65.1 Å²	65.1	22%	0.215	41%	0.407	C	S	.	.	H	α-helix	trans	-65.1	-42.4	174.1	-172.2	65.9	0	0	0	111.6	A367 H374 Y375 L408	A367-L371 PolarHBondContact O-N 3.34Å; L371-H374 WeakPolarHBondContact O-CB 3.42Å; L371-H374 PolarHBondContact O-N 3.35Å; L371-Y375 HydrophobicContact CD1-CE1 4.47Å; L371-Y375 HydrophobicContact CD1-CE2 3.93Å; L371-Y375 HydrophobicContact CD2-CE2 3.96Å; L371-Y375 HydrophobicContact CG-CD2 4.09Å; L371-Y375 HydrophobicContact CG-CE2 3.6Å; L371-Y375 WeakPolarHBondContact O-CD2 3.4Å; L371-Y375 PolarHBondContact O-N 2.95Å; L371-L408 HydrophobicContact CD2-CD1 4.38Å
372	L	80.4	Confident	77.8	Confident	49 Å²	49	61.3 Å²	61.3	26%	0.257	38%	0.375	S	S	.	.	H	α-helix	trans	-62.7	-41.3	172.7	-77.8	171.2	0	0	0	112.2	L368 H374 Y375 R376 L408 V412	L368-L372 HydrophobicContact CD2-CD1 3.84Å; L368-L372 HydrophobicContact CD2-CG 4.43Å; L368-L372 WeakPolarHBondContact O-CG 3.34Å; L368-L372 PolarHBondContact O-N 2.87Å; L368-L372 VanDerWaalsContact O-N 3.11Å; L372-H374 VanDerWaalsContact C-N 3.35Å; L372-Y375 PolarHBondContact O-N 3.35Å; L372-R376 WeakPolarHBondContact O-CB 3.48Å; L372-R376 VanDerWaalsContact O-CG 3.28Å; L372-R376 WeakPolarHBondContact O-CG 3.43Å; L372-R376 PolarHBondContact O-N 2.67Å; L372-L408 HydrophobicContact CD2-CB 4.4Å; L372-L408 HydrophobicContact CD2-CD2 4.34Å; L372-V412 HydrophobicContact CD2-CG2 3.95Å
373	A	81	Confident	78.6	Confident	58 Å²	58	60.2 Å²	60.2	48%	0.479	36%	0.364	S	S	.	.	H	α-helix	trans	-64	-39.5	175.6	0	0	0	0	0	112.1	S369 D370 K377	S369-A373 WeakPolarHBondContact O-CB 3.42Å; S369-A373 PolarHBondContact O-N 3.32Å; D370-A373 PolarHBondContact O-N 3.05Å; A373-K377 WeakPolarHBondContact O-CB 3.21Å; A373-K377 PolarHBondContact O-N 3.39Å
374	H	84.9	Confident	79.5	Confident	27 Å²	27	61.7 Å²	61.7	13%	0.125	37%	0.366	C	S	.	.	H	α-helix	trans	-60.4	-54.6	172.7	-179.4	82.1	0	0	0	111.4	E358 T359 V363 D370 L371 L372 R376 K377 Y378	E358-H374 PolarHBondContact O-CE1 3.27Å; E358-H374 PolarHBondContact O-NE2 3.21Å; T359-H374 PolarHBondContact O-NE2 3.28Å; V363-H374 HydrophobicContact CG2-CB 3.6Å; D370-H374 WeakPolarHBondContact O-CB 3.45Å; D370-H374 PolarHBondContact O-N 2.96Å; L371-H374 WeakPolarHBondContact O-CB 3.42Å; L371-H374 PolarHBondContact O-N 3.35Å; L372-H374 VanDerWaalsContact C-N 3.35Å; H374-R376 PolarHBondContact O-N 3.11Å; H374-K377 PolarHBondContact O-N 3.05Å; H374-Y378 AromaticContact CE1-CD2 3.52Å; H374-Y378 AromaticContact CE1-CE2 3.25Å; H374-Y378 WeakPolarHBondContact CE1-CE2 3.45Å; H374-Y378 AromaticContact CE1-CZ 3.98Å; H374-Y378 AromaticContact ND1-CD2 3.52Å; H374-Y378 AromaticContact ND1-CE2 3.25Å; H374-Y378 WeakPolarHBondContact ND1-CE2 3.31Å; H374-Y378 WeakPolarHBondContact O-CD2 3.39Å; H374-Y378 PolarHBondContact O-N 3.48Å
375	Y	85.3	Confident	80.9	Confident	21 Å²	21	57.9 Å²	57.9	8%	0.082	33%	0.326	C	S	.	.	H	α-helix	trans	-57.7	-48.1	178.1	-71	-37.5	0	0	0	112	T359 L371 L372 K377 Y378 I379 D406 L408	T359-Y375 WeakPolarHBondContact O-CE1 3.46Å; L371-Y375 HydrophobicContact CD1-CE1 4.47Å; L371-Y375 HydrophobicContact CD1-CE2 3.93Å; L371-Y375 HydrophobicContact CD2-CE2 3.96Å; L371-Y375 HydrophobicContact CG-CD2 4.09Å; L371-Y375 HydrophobicContact CG-CE2 3.6Å; L371-Y375 WeakPolarHBondContact O-CD2 3.4Å; L371-Y375 PolarHBondContact O-N 2.95Å; L372-Y375 PolarHBondContact O-N 3.35Å; Y375-K377 VanDerWaalsContact C-N 3.32Å; Y375-K377 PolarHBondContact O-N 3.04Å; Y375-Y378 PolarHBondContact O-N 2.92Å; Y375-I379 HydrophobicContact CD1-CD1 4.36Å; Y375-I379 HydrophobicContact CG-CD1 4.36Å; Y375-I379 WeakPolarHBondContact O-CB 3.5Å; Y375-I379 VanDerWaalsContact O-CG1 3.27Å; Y375-I379 WeakPolarHBondContact O-CG1 3.39Å; Y375-I379 PolarHBondContact O-N 2.9Å; Y375-D406 WeakPolarHBondContact CE2-OD2 3.49Å; Y375-D406 PolarHBondContact OH-OD2 3.22Å; Y375-L408 HydrophobicContact CD2-CB 4.38Å; Y375-L408 HydrophobicContact CE2-CB 4.19Å
376	R	84.6	Confident	82.3	Confident	136 Å²	136	53.7 Å²	53.7	51%	0.513	28%	0.283	S	S	.	.	H	α-helix	trans	-57.7	-42.2	176.9	-73.4	-178.2	170.8	-144.8	-9.3	112.4	L372 H374 R380 V412	L372-R376 WeakPolarHBondContact O-CB 3.48Å; L372-R376 VanDerWaalsContact O-CG 3.28Å; L372-R376 WeakPolarHBondContact O-CG 3.43Å; L372-R376 PolarHBondContact O-N 2.67Å; H374-R376 PolarHBondContact O-N 3.11Å; R376-R380 VanDerWaalsContact O-CB 3.23Å; R376-R380 WeakPolarHBondContact O-CB 3.22Å; R376-R380 PolarHBondContact O-N 2.8Å; R376-V412 HydrophobicContact CB-CG1 4.39Å; R376-V412 HydrophobicContact CG-CG1 3.69Å; R376-V412 HydrophobicContact CG-CG2 4.26Å
377	K	85.2	Confident	83.4	Confident	123 Å²	123	52.5 Å²	52.5	54%	0.535	27%	0.267	S	S	.	.	H	α-helix	trans	-64.1	-54.5	178.2	-173.2	-171	-177.6	-164.3	0	111.6	I320 A373 H374 Y375 V381	I320-K377 HydrophobicContact CD1-CD 4.09Å; I320-K377 HydrophobicContact CD1-CG 4.18Å; A373-K377 WeakPolarHBondContact O-CB 3.21Å; A373-K377 PolarHBondContact O-N 3.39Å; H374-K377 PolarHBondContact O-N 3.05Å; Y375-K377 VanDerWaalsContact C-N 3.32Å; Y375-K377 PolarHBondContact O-N 3.04Å; K377-V381 WeakPolarHBondContact O-CG2 3.48Å
378	Y	86.1	Confident	84.1	Confident	42 Å²	42	51.7 Å²	51.7	17%	0.165	26%	0.256	C	S	.	.	H	α-helix	trans	-80.4	-39.4	-171.5	-74.4	-98	0	0	0	113.3	I320 L355 E358 T359 H374 Y375 R380 V381 L382	I320-Y378 HydrophobicContact CD1-CD1 3.92Å; I320-Y378 HydrophobicContact CD1-CE1 3.71Å; I320-Y378 HydrophobicContact CD1-CE2 4.38Å; I320-Y378 HydrophobicContact CD1-CG 4.33Å; I320-Y378 HydrophobicContact CG1-CD1 4.13Å; I320-Y378 HydrophobicContact CG1-CE1 3.95Å; L355-Y378 HydrophobicContact CD2-CD1 4.08Å; L355-Y378 HydrophobicContact CD2-CE1 4.38Å; E358-Y378 HydrophobicContact CB-CD1 4.38Å; E358-Y378 HydrophobicContact CB-CE1 3.97Å; E358-Y378 WeakPolarHBondContact OE2-CE1 3.24Å; T359-Y378 HydrophobicContact CG2-CD1 4.46Å; T359-Y378 HydrophobicContact CG2-CG 4.22Å; H374-Y378 AromaticContact CE1-CD2 3.52Å; H374-Y378 AromaticContact CE1-CE2 3.25Å; H374-Y378 WeakPolarHBondContact CE1-CE2 3.45Å; H374-Y378 AromaticContact CE1-CZ 3.98Å; H374-Y378 AromaticContact ND1-CD2 3.52Å; H374-Y378 AromaticContact ND1-CE2 3.25Å; H374-Y378 WeakPolarHBondContact ND1-CE2 3.31Å; H374-Y378 WeakPolarHBondContact O-CD2 3.39Å; H374-Y378 PolarHBondContact O-N 3.48Å; Y375-Y378 PolarHBondContact O-N 2.92Å; Y378-R380 VanDerWaalsContact C-N 3.31Å; Y378-R380 PolarHBondContact O-N 3.4Å; Y378-V381 PolarHBondContact O-N 3.39Å; Y378-V381 VanDerWaalsContact O-N 3.14Å; Y378-L382 WeakPolarHBondContact O-CB 3.2Å; Y378-L382 PolarHBondContact O-N 3.11Å
379	I	87.8	Confident	84.5	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.6	-40.1	179.8	-65.7	174.3	0	0	0	110.6	Y375 V381 L382 L383 L403 V412 F413	Y375-I379 HydrophobicContact CD1-CD1 4.36Å; Y375-I379 HydrophobicContact CG-CD1 4.36Å; Y375-I379 WeakPolarHBondContact O-CB 3.5Å; Y375-I379 VanDerWaalsContact O-CG1 3.27Å; Y375-I379 WeakPolarHBondContact O-CG1 3.39Å; Y375-I379 PolarHBondContact O-N 2.9Å; I379-V381 VanDerWaalsContact C-N 3.33Å; I379-V381 PolarHBondContact O-N 3.36Å; I379-L382 PolarHBondContact O-N 2.92Å; I379-L383 HydrophobicContact CG2-CD1 3.89Å; I379-L383 HydrophobicContact CG2-CG 4.33Å; I379-L383 WeakPolarHBondContact O-CB 3.36Å; I379-L383 PolarHBondContact O-N 3.16Å; I379-L403 HydrophobicContact CD1-CD2 4.17Å; I379-L403 HydrophobicContact CG1-CD1 4.45Å; I379-L403 HydrophobicContact CG1-CD2 4.35Å; I379-V412 HydrophobicContact CD1-CB 4.36Å; I379-V412 HydrophobicContact CD1-CG1 4.06Å; I379-F413 HydrophobicContact CG2-CB 4.19Å; I379-F413 HydrophobicContact CG2-CD2 3.88Å; I379-F413 HydrophobicContact CG2-CG 4.49Å
380	R	87.6	Confident	84.9	Confident	141 Å²	141	53.5 Å²	53.5	53%	0.532	25%	0.246	S	C	.	.	H	α-helix	trans	-59.8	-41	174.2	-172.1	176.6	-173.3	-163.6	4	112.8	R376 Y378 K384	R376-R380 VanDerWaalsContact O-CB 3.23Å; R376-R380 WeakPolarHBondContact O-CB 3.22Å; R376-R380 PolarHBondContact O-N 2.8Å; Y378-R380 VanDerWaalsContact C-N 3.31Å; Y378-R380 PolarHBondContact O-N 3.4Å; R380-K384 VanDerWaalsContact O-CB 3.29Å; R380-K384 WeakPolarHBondContact O-CB 3.47Å; R380-K384 PolarHBondContact O-N 3.28Å
381	V	86.7	Confident	85.3	Confident	18 Å²	18	51.6 Å²	51.6	11%	0.109	24%	0.235	C	C	.	.	H	α-helix	trans	-70.9	-41	175.8	177	0	0	0	0	111.2	I320 L324 L355 K377 Y378 I379 K384 V385	I320-V381 HydrophobicContact CG2-CG1 4.2Å; I320-V381 HydrophobicContact CG2-CG2 3.99Å; L324-V381 HydrophobicContact CD2-CG1 4.32Å; L324-V381 HydrophobicContact CG-CG1 4.33Å; L355-V381 HydrophobicContact CD1-CG1 4.02Å; K377-V381 WeakPolarHBondContact O-CG2 3.48Å; Y378-V381 PolarHBondContact O-N 3.39Å; Y378-V381 VanDerWaalsContact O-N 3.14Å; I379-V381 VanDerWaalsContact C-N 3.33Å; I379-V381 PolarHBondContact O-N 3.36Å; V381-K384 PolarHBondContact O-N 3.42Å; V381-V385 HydrophobicContact CG1-CG2 4.17Å; V381-V385 WeakPolarHBondContact O-CB 3.22Å; V381-V385 VanDerWaalsContact O-CG2 3.28Å; V381-V385 WeakPolarHBondContact O-CG2 3.35Å; V381-V385 PolarHBondContact O-N 3.04Å
382	L	88.6	Confident	85.5	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-61.4	-51.8	178.9	-176.1	67.5	0	0	0	111.3	L355 L356 T359 Y378 I379 K384 V385 C386 F394 C399 L403	L355-L382 HydrophobicContact CB-CD1 4.14Å; L356-L382 HydrophobicContact CB-CD1 4.41Å; L356-L382 HydrophobicContact CD1-CD2 4Å; T359-L382 HydrophobicContact CG2-CD2 4.43Å; Y378-L382 WeakPolarHBondContact O-CB 3.2Å; Y378-L382 PolarHBondContact O-N 3.11Å; I379-L382 PolarHBondContact O-N 2.92Å; L382-K384 VanDerWaalsContact C-N 3.34Å; L382-K384 PolarHBondContact O-N 3.46Å; L382-V385 PolarHBondContact O-N 2.78Å; L382-C386 WeakPolarHBondContact O-CB 3.46Å; L382-C386 PolarHBondContact O-N 3.19Å; L382-C386 PolarHBondContact O-SG 3.47Å; L382-F394 HydrophobicContact CD1-CE1 4.44Å; L382-C399 HydrophobicContact CD2-CB 4.29Å; L382-L403 HydrophobicContact CD2-CD1 4.19Å
383	L	88	Confident	85.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-54.8	-49.4	174.2	-79.2	166.8	0	0	0	111.3	I379 V385 C386 I387 L395 F413 H416 L417 Y420	I379-L383 HydrophobicContact CG2-CD1 3.89Å; I379-L383 HydrophobicContact CG2-CG 4.33Å; I379-L383 WeakPolarHBondContact O-CB 3.36Å; I379-L383 PolarHBondContact O-N 3.16Å; L383-V385 PolarHBondContact O-N 2.81Å; L383-C386 PolarHBondContact O-N 2.97Å; L383-I387 HydrophobicContact CB-CD1 4.46Å; L383-I387 HydrophobicContact CD2-CD1 4.01Å; L383-I387 WeakPolarHBondContact O-CB 3.38Å; L383-I387 WeakPolarHBondContact O-CG1 3.27Å; L383-I387 PolarHBondContact O-N 3.42Å; L383-L395 HydrophobicContact CD2-CD1 3.8Å; L383-L395 HydrophobicContact CD2-CD2 4.32Å; L383-F413 HydrophobicContact CD1-CD2 4.44Å; L383-F413 HydrophobicContact CD2-CD2 4.32Å; L383-F413 HydrophobicContact CD2-CE2 3.69Å; L383-F413 HydrophobicContact CD2-CZ 4.09Å; L383-F413 HydrophobicContact CG-CD2 4.43Å; L383-F413 HydrophobicContact CG-CE2 4.21Å; L383-H416 HydrophobicContact CD1-CB 3.46Å; L383-H416 VanDerWaalsContact CD1-CB 3.46Å; L383-L417 HydrophobicContact CD2-CD1 3.73Å; L383-Y420 HydrophobicContact CB-CD2 4.41Å; L383-Y420 HydrophobicContact CB-CE2 3.82Å; L383-Y420 HydrophobicContact CD1-CE2 4.47Å
384	K	87.4	Confident	86	Confident	91 Å²	91	52.8 Å²	52.8	40%	0.396	23%	0.233	S	C	.	.	H	α-helix	trans	-57.9	-46.1	178	-173.7	174.5	-178.6	174.8	0	112	L324 L327 R380 V381 L382 T388 Y420	L324-K384 HydrophobicContact CD2-CD 4.25Å; L327-K384 HydrophobicContact CD2-CG 4.32Å; R380-K384 VanDerWaalsContact O-CB 3.29Å; R380-K384 WeakPolarHBondContact O-CB 3.47Å; R380-K384 PolarHBondContact O-N 3.28Å; V381-K384 PolarHBondContact O-N 3.42Å; L382-K384 VanDerWaalsContact C-N 3.34Å; L382-K384 PolarHBondContact O-N 3.46Å; K384-T388 WeakPolarHBondContact O-CB 3.31Å; K384-T388 PolarHBondContact O-N 2.62Å; K384-T388 PolarHBondContact O-OG1 3.07Å; K384-Y420 WeakPolarHBondContact CA-OH 3.35Å; K384-Y420 WeakPolarHBondContact CB-OH 3.37Å
385	V	87	Confident	86.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.1	-45.6	179.1	165	0	0	0	0	111.3	L327 L348 A352 L355 V381 L382 L383 G389	L327-V385 HydrophobicContact CD2-CG2 4.35Å; L348-V385 HydrophobicContact CD1-CG1 3.8Å; L348-V385 HydrophobicContact CG-CG1 4.14Å; A352-V385 HydrophobicContact CB-CG1 4.2Å; L355-V385 HydrophobicContact CD1-CG2 4.39Å; V381-V385 HydrophobicContact CG1-CG2 4.17Å; V381-V385 WeakPolarHBondContact O-CB 3.22Å; V381-V385 VanDerWaalsContact O-CG2 3.28Å; V381-V385 WeakPolarHBondContact O-CG2 3.35Å; V381-V385 PolarHBondContact O-N 3.04Å; L382-V385 PolarHBondContact O-N 2.78Å; L383-V385 PolarHBondContact O-N 2.81Å; V385-G389 WeakPolarHBondContact O-CA 3.33Å; V385-G389 PolarHBondContact O-N 3.29Å
386	C	88	Confident	86.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.2	-50.4	-177.1	-66.1	0	0	0	0	112.2	L382 L383 R390 L391 L395	L382-C386 WeakPolarHBondContact O-CB 3.46Å; L382-C386 PolarHBondContact O-N 3.19Å; L382-C386 PolarHBondContact O-SG 3.47Å; L383-C386 PolarHBondContact O-N 2.97Å; C386-R390 PolarHBondContact O-N 3.35Å; C386-R390 VanDerWaalsContact O-N 3.07Å; C386-L391 HydrophobicContact CB-CB 4.46Å; C386-L391 PolarHBondContact O-N 3.27Å; C386-L395 HydrophobicContact CB-CB 4.06Å; C386-L395 HydrophobicContact CB-CD1 4.34Å
387	I	86.4	Confident	86.1	Confident	16 Å²	16	50.4 Å²	50.4	8%	0.082	23%	0.23	C	C	.	.	H	α-helix	trans	-69.6	-49.4	-176.3	-61.6	170.9	0	0	0	109.9	L383 G389 R390 L392 L395 Y420 A425 L426	L383-I387 HydrophobicContact CB-CD1 4.46Å; L383-I387 HydrophobicContact CD2-CD1 4.01Å; L383-I387 WeakPolarHBondContact O-CB 3.38Å; L383-I387 WeakPolarHBondContact O-CG1 3.27Å; L383-I387 PolarHBondContact O-N 3.42Å; I387-G389 VanDerWaalsContact C-N 3.35Å; I387-G389 PolarHBondContact O-N 3.24Å; I387-R390 PolarHBondContact O-N 2.88Å; I387-L392 HydrophobicContact CG1-CD2 4.2Å; I387-L395 HydrophobicContact CD1-CD2 4.08Å; I387-L395 HydrophobicContact CG1-CD2 3.72Å; I387-Y420 HydrophobicContact CB-CD1 4.26Å; I387-Y420 HydrophobicContact CD1-CD1 3.67Å; I387-Y420 HydrophobicContact CD1-CD2 3.69Å; I387-Y420 HydrophobicContact CD1-CE1 4.25Å; I387-Y420 HydrophobicContact CD1-CE2 4.29Å; I387-Y420 HydrophobicContact CD1-CG 3.35Å; I387-Y420 HydrophobicContact CG2-CD1 3.93Å; I387-A425 HydrophobicContact CG2-CB 3.62Å; I387-L426 HydrophobicContact CD1-CD2 3.81Å; I387-L426 HydrophobicContact CG1-CD2 4.06Å
388	T	83.8	Confident	86.1	Confident	40 Å²	40	45.9 Å²	45.9	25%	0.245	22%	0.216	C	C	.	.	H	α-helix	trans	-69.6	-33.3	179.9	-50.5	0	0	0	0	112.3	L327 R331 K384 R390	L327-T388 HydrophobicContact CD1-CG2 3.97Å; L327-T388 HydrophobicContact CD2-CG2 4.23Å; L327-T388 HydrophobicContact CG-CG2 4.33Å; R331-T388 VanDerWaalsContact CD-CG2 3.46Å; R331-T388 HydrophobicContact CG-CG2 4.26Å; K384-T388 WeakPolarHBondContact O-CB 3.31Å; K384-T388 PolarHBondContact O-N 2.62Å; K384-T388 PolarHBondContact O-OG1 3.07Å; T388-R390 VanDerWaalsContact C-N 3.28Å
389	G	81.4	Confident	86	Confident	14 Å²	14	43.9 Å²	43.9	14%	0.144	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-1.1	177.7	0	0	0	0	0	114.5	V385 I387 L391	V385-G389 WeakPolarHBondContact O-CA 3.33Å; V385-G389 PolarHBondContact O-N 3.29Å; I387-G389 VanDerWaalsContact C-N 3.35Å; I387-G389 PolarHBondContact O-N 3.24Å; G389-L391 VanDerWaalsContact C-N 3.3Å; G389-L391 PolarHBondContact O-N 3.37Å
390	R	83.8	Confident	86	Confident	224 Å²	224	44.9 Å²	44.9	85%	0.845	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	31.6	-176.7	-55.2	-179.3	175.3	178.3	-3.2	114.6	C386 I387 T388 L392	C386-R390 PolarHBondContact O-N 3.35Å; C386-R390 VanDerWaalsContact O-N 3.07Å; I387-R390 PolarHBondContact O-N 2.88Å; T388-R390 VanDerWaalsContact C-N 3.28Å; R390-L392 VanDerWaalsContact C-N 3.3Å; R390-L392 PolarHBondContact O-N 3.2Å
391	L	85.8	Confident	85.8	Confident	41 Å²	41	42.7 Å²	42.7	22%	0.215	21%	0.211	C	C	.	.			trans	-94.3	50.9	173.5	-56.2	171.5	0	0	0	110.4	A349 A352 C386 G389 F394 L395	A349-L391 HydrophobicContact CB-CD1 4.32Å; A349-L391 HydrophobicContact CB-CD2 4.21Å; A352-L391 HydrophobicContact CB-CD1 4.15Å; C386-L391 HydrophobicContact CB-CB 4.46Å; C386-L391 PolarHBondContact O-N 3.27Å; G389-L391 VanDerWaalsContact C-N 3.3Å; G389-L391 PolarHBondContact O-N 3.37Å; L391-F394 HydrophobicContact CB-CB 4.3Å; L391-F394 PolarHBondContact O-N 3.36Å; L391-L395 PolarHBondContact O-N 2.97Å; L391-L395 VanDerWaalsContact O-N 3.15Å
392	L	85.4	Confident	85.7	Confident	23 Å²	23	48.1 Å²	48.1	12%	0.12	23%	0.229	C	C	.	.	H	α-helix	trans	-67.3	-40.1	-175.8	-66.4	179.9	0	0	0	112.2	I387 R390 F394 L395 Y396 L426 I427	I387-L392 HydrophobicContact CG1-CD2 4.2Å; R390-L392 VanDerWaalsContact C-N 3.3Å; R390-L392 PolarHBondContact O-N 3.2Å; L392-F394 VanDerWaalsContact C-N 3.25Å; L392-F394 PolarHBondContact O-N 3.04Å; L392-L395 HydrophobicContact CD2-CD2 4.39Å; L392-L395 WeakPolarHBondContact O-CA 3.49Å; L392-L395 WeakPolarHBondContact O-CB 3.17Å; L392-L395 PolarHBondContact O-N 3.41Å; L392-Y396 HydrophobicContact CB-CD2 4.36Å; L392-Y396 HydrophobicContact CB-CE2 3.92Å; L392-Y396 WeakPolarHBondContact O-CD2 3.42Å; L392-Y396 VanDerWaalsContact O-CG 3.31Å; L392-Y396 PolarHBondContact O-N 3.27Å; L392-L426 HydrophobicContact CD2-CD2 4.35Å; L392-I427 HydrophobicContact CD1-CB 3.92Å; L392-I427 HydrophobicContact CD1-CG1 4.25Å
393	D	84.9	Confident	85.4	Confident	125 Å²	125	48.1 Å²	48.1	67%	0.668	23%	0.229	S	C	*	.	H	α-helix	trans	-58	-39.4	176.2	-53.3	-24.5	0	0	0	111.9	I397	D393-I397 WeakPolarHBondContact O-CB 3.48Å; D393-I397 WeakPolarHBondContact O-CG1 3.31Å; D393-I397 PolarHBondContact O-N 3Å
394	F	86.9	Confident	85.1	Confident	26 Å²	26	50 Å²	50	11%	0.114	24%	0.242	C	C	.	.	I	π-helix	trans	-68.5	-38	175.9	179.7	-106.1	0	0	0	111.9	A352 H353 L356 L382 L391 L392 A398 C399	A352-F394 HydrophobicContact CB-CD1 4.24Å; A352-F394 HydrophobicContact CB-CE1 3.83Å; H353-F394 HydrophobicContact CB-CZ 4.44Å; H353-F394 AromaticContact CD2-CE2 3.5Å; H353-F394 AromaticContact CE1-CD2 3.51Å; H353-F394 AromaticContact CE1-CE2 3.31Å; H353-F394 WeakPolarHBondContact CE1-CE2 3.36Å; H353-F394 AromaticContact CG-CE2 3.69Å; H353-F394 AromaticContact CG-CZ 3.85Å; H353-F394 AromaticContact ND1-CE2 3.58Å; H353-F394 AromaticContact ND1-CZ 3.83Å; H353-F394 AromaticContact NE2-CD2 3.68Å; H353-F394 AromaticContact NE2-CE2 3.27Å; H353-F394 VanDerWaalsContact NE2-CE2 3.27Å; H353-F394 WeakPolarHBondContact NE2-CE2 3.46Å; L356-F394 HydrophobicContact CB-CZ 4.17Å; L356-F394 HydrophobicContact CD2-CE1 4.3Å; L356-F394 HydrophobicContact CD2-CE2 4.11Å; L356-F394 HydrophobicContact CD2-CZ 3.55Å; L382-F394 HydrophobicContact CD1-CE1 4.44Å; L391-F394 HydrophobicContact CB-CB 4.3Å; L391-F394 PolarHBondContact O-N 3.36Å; L392-F394 VanDerWaalsContact C-N 3.25Å; L392-F394 PolarHBondContact O-N 3.04Å; F394-A398 HydrophobicContact CD2-CB 3.49Å; F394-A398 VanDerWaalsContact CD2-CB 3.49Å; F394-A398 HydrophobicContact CE2-CB 3.44Å; F394-A398 VanDerWaalsContact CE2-CB 3.44Å; F394-A398 HydrophobicContact CG-CB 4.33Å; F394-A398 HydrophobicContact CZ-CB 4.28Å; F394-A398 WeakPolarHBondContact O-CA 3.41Å; F394-A398 WeakPolarHBondContact O-CB 3.48Å; F394-A398 PolarHBondContact O-N 3.48Å; F394-C399 WeakPolarHBondContact CE1-SG 3.37Å; F394-C399 PolarHBondContact O-N 3.43Å
395	L	87.4	Confident	84.8	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	26%	0.262	C	S	.	.	I	π-helix	trans	-62.9	-49.1	174.5	-179.1	66.6	0	0	0	111.6	L383 C386 I387 L391 L392 C399 W400 F413 L426	L383-L395 HydrophobicContact CD2-CD1 3.8Å; L383-L395 HydrophobicContact CD2-CD2 4.32Å; C386-L395 HydrophobicContact CB-CB 4.06Å; C386-L395 HydrophobicContact CB-CD1 4.34Å; I387-L395 HydrophobicContact CD1-CD2 4.08Å; I387-L395 HydrophobicContact CG1-CD2 3.72Å; L391-L395 PolarHBondContact O-N 2.97Å; L391-L395 VanDerWaalsContact O-N 3.15Å; L392-L395 HydrophobicContact CD2-CD2 4.39Å; L392-L395 WeakPolarHBondContact O-CA 3.49Å; L392-L395 WeakPolarHBondContact O-CB 3.17Å; L392-L395 PolarHBondContact O-N 3.41Å; L395-C399 HydrophobicContact CD1-CB 4.09Å; L395-C399 WeakPolarHBondContact O-CB 3.06Å; L395-W400 PolarHBondContact O-N 3.48Å; L395-F413 HydrophobicContact CD1-CE2 3.84Å; L395-F413 HydrophobicContact CD1-CZ 3.96Å; L395-L426 HydrophobicContact CD2-CD2 4.15Å
396	Y	85.9	Confident	84.6	Confident	20 Å²	20	55.9 Å²	55.9	8%	0.078	28%	0.275	C	S	.	.	I	π-helix	trans	-74.6	-32.2	-173.9	-62.6	-28.5	0	0	0	114	L392 L426 I427 P429 P430 L433	L392-Y396 HydrophobicContact CB-CD2 4.36Å; L392-Y396 HydrophobicContact CB-CE2 3.92Å; L392-Y396 WeakPolarHBondContact O-CD2 3.42Å; L392-Y396 VanDerWaalsContact O-CG 3.31Å; L392-Y396 PolarHBondContact O-N 3.27Å; Y396-L426 HydrophobicContact CE1-CD2 4.26Å; Y396-I427 WeakPolarHBondContact CE2-O 3.47Å; Y396-I427 PolarHBondContact OH-N 3.04Å; Y396-I427 PolarHBondContact OH-O 2.96Å; Y396-P429 HydrophobicContact CE1-CB 4.07Å; Y396-P430 HydrophobicContact CD1-CG 4.38Å; Y396-P430 HydrophobicContact CD2-CG 4.46Å; Y396-P430 HydrophobicContact CG-CG 3.99Å; Y396-L433 HydrophobicContact CD1-CD2 4.06Å; Y396-L433 HydrophobicContact CE1-CD2 4.28Å
397	I	85	Confident	84.2	Confident	113 Å²	113	60.1 Å²	60.1	58%	0.579	31%	0.305	S	S	*	.	I	π-helix	trans	-98.7	-59.1	-178.5	-57.3	170.4	0	0	0	110.3	D393 D401	D393-I397 WeakPolarHBondContact O-CB 3.48Å; D393-I397 WeakPolarHBondContact O-CG1 3.31Å; D393-I397 PolarHBondContact O-N 3Å; I397-D401 WeakPolarHBondContact O-CB 3.37Å; I397-D401 PolarHBondContact O-N 3.04Å
398	A	83.9	Confident	84	Confident	27 Å²	27	61.8 Å²	61.8	22%	0.223	31%	0.313	C	S	.	.	I	π-helix	trans	-85.5	-39.1	-169	0	0	0	0	0	113.9	L356 F394 R402	L356-A398 HydrophobicContact CD2-CB 4.28Å; F394-A398 HydrophobicContact CD2-CB 3.49Å; F394-A398 VanDerWaalsContact CD2-CB 3.49Å; F394-A398 HydrophobicContact CE2-CB 3.44Å; F394-A398 VanDerWaalsContact CE2-CB 3.44Å; F394-A398 HydrophobicContact CG-CB 4.33Å; F394-A398 HydrophobicContact CZ-CB 4.28Å; F394-A398 WeakPolarHBondContact O-CA 3.41Å; F394-A398 WeakPolarHBondContact O-CB 3.48Å; F394-A398 PolarHBondContact O-N 3.48Å; A398-R402 WeakPolarHBondContact O-CG 3.35Å
399	C	85.1	Confident	84	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.303	C	S	.	.	I	π-helix	trans	-75.3	-50.5	179	-57.9	0	0	0	0	111.3	L356 L382 F394 L395 R402 L403	L356-C399 HydrophobicContact CD1-CB 4.31Å; L382-C399 HydrophobicContact CD2-CB 4.29Å; F394-C399 WeakPolarHBondContact CE1-SG 3.37Å; F394-C399 PolarHBondContact O-N 3.43Å; L395-C399 HydrophobicContact CD1-CB 4.09Å; L395-C399 WeakPolarHBondContact O-CB 3.06Å; C399-R402 PolarHBondContact O-N 2.62Å; C399-L403 HydrophobicContact CB-CD1 4.33Å; C399-L403 WeakPolarHBondContact O-CB 3.45Å; C399-L403 VanDerWaalsContact O-CG 3.27Å; C399-L403 WeakPolarHBondContact O-CG 3.46Å; C399-L403 PolarHBondContact O-N 3.44Å
400	W	86.3	Confident	84.1	Confident	21 Å²	21	61.5 Å²	61.5	8%	0.08	31%	0.305	C	S	.	.	H	α-helix	trans	-60	-48.9	-178.9	176.2	-113.8	0	0	0	112.8	L395 R402 L403 S404 K410 F413 L414 L433 E436	L395-W400 PolarHBondContact O-N 3.48Å; W400-R402 PolarHBondContact O-N 3.43Å; W400-R402 VanDerWaalsContact O-N 3.15Å; W400-L403 PolarHBondContact O-N 3Å; W400-S404 VanDerWaalsContact O-CB 3.24Å; W400-S404 WeakPolarHBondContact O-CB 3.38Å; W400-S404 PolarHBondContact O-N 3.35Å; W400-S404 PolarHBondContact O-OG 2.84Å; W400-K410 HydrophobicContact CH2-CG 4.5Å; W400-F413 AromaticContact CE3-CD1 3.87Å; W400-F413 HydrophobicContact CE3-CD1 3.87Å; W400-F413 AromaticContact CE3-CE1 3.61Å; W400-F413 HydrophobicContact CE3-CE1 3.61Å; W400-F413 HydrophobicContact CE3-CZ 4.38Å; W400-F413 AromaticContact CZ3-CD1 3.84Å; W400-F413 HydrophobicContact CZ3-CD1 3.84Å; W400-F413 AromaticContact CZ3-CE1 3.95Å; W400-F413 HydrophobicContact CZ3-CE1 3.95Å; W400-L414 HydrophobicContact CH2-CD2 4.3Å; W400-L414 HydrophobicContact CZ3-CD2 4.1Å; W400-L433 HydrophobicContact CD2-CB 4.49Å; W400-L433 HydrophobicContact CD2-CD1 3.81Å; W400-L433 HydrophobicContact CE3-CD1 3.59Å; W400-L433 HydrophobicContact CH2-CD1 3.84Å; W400-L433 HydrophobicContact CZ2-CB 4.48Å; W400-L433 HydrophobicContact CZ2-CD1 4.07Å; W400-L433 HydrophobicContact CZ3-CD1 3.6Å; W400-E436 HydrophobicContact CH2-CB 4.07Å; W400-E436 HydrophobicContact CZ2-CB 4.18Å; W400-E436 HydrophobicContact CZ2-CG 4.25Å
401	D	84.7	Confident	84.2	Confident	96 Å²	96	53 Å²	53	51%	0.513	28%	0.279	S	S	.	.	H	α-helix	trans	-61.3	-25.9	179.7	-71.9	0.4	0	0	0	113.1	I397 M405	I397-D401 WeakPolarHBondContact O-CB 3.37Å; I397-D401 PolarHBondContact O-N 3.04Å; D401-M405 VanDerWaalsContact O-CG 3.22Å; D401-M405 WeakPolarHBondContact O-CG 3.35Å
402	R	83.1	Confident	84.2	Confident	131 Å²	131	51.2 Å²	51.2	49%	0.494	27%	0.269	S	S	.	.	H	α-helix	trans	-89.6	-37	177.4	-68.7	-171.8	-172.4	-173.1	0.8	113.6	L356 V360 A398 C399 W400	L356-R402 HydrophobicContact CD1-CB 4.42Å; V360-R402 HydrophobicContact CG2-CB 4.21Å; A398-R402 WeakPolarHBondContact O-CG 3.35Å; C399-R402 PolarHBondContact O-N 2.62Å; W400-R402 PolarHBondContact O-N 3.43Å; W400-R402 VanDerWaalsContact O-N 3.15Å
403	L	83.4	Confident	84.3	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-82.1	-24.7	-178.2	-63.9	172.2	0	0	0	112.4	L356 I379 L382 C399 W400 M405 S409 K410 F413	L356-L403 HydrophobicContact CD1-CG 4.45Å; I379-L403 HydrophobicContact CD1-CD2 4.17Å; I379-L403 HydrophobicContact CG1-CD1 4.45Å; I379-L403 HydrophobicContact CG1-CD2 4.35Å; L382-L403 HydrophobicContact CD2-CD1 4.19Å; C399-L403 HydrophobicContact CB-CD1 4.33Å; C399-L403 WeakPolarHBondContact O-CB 3.45Å; C399-L403 VanDerWaalsContact O-CG 3.27Å; C399-L403 WeakPolarHBondContact O-CG 3.46Å; C399-L403 PolarHBondContact O-N 3.44Å; W400-L403 PolarHBondContact O-N 3Å; L403-M405 PolarHBondContact O-N 3.35Å; L403-S409 PolarHBondContact O-OG 3.4Å; L403-K410 PolarHBondContact O-N 2.69Å; L403-F413 HydrophobicContact CD1-CD2 3.52Å; L403-F413 HydrophobicContact CD1-CE2 3.95Å; L403-F413 HydrophobicContact CD1-CG 4.32Å
404	S	81.6	Confident	84.4	Confident	40 Å²	40	44.3 Å²	44.3	28%	0.28	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-16.3	174.2	56.8	0	0	0	0	113.9	W400	W400-S404 VanDerWaalsContact O-CB 3.24Å; W400-S404 WeakPolarHBondContact O-CB 3.38Å; W400-S404 PolarHBondContact O-N 3.35Å; W400-S404 PolarHBondContact O-OG 2.84Å
405	M	81.1	Confident	84.4	Confident	163 Å²	163	46 Å²	46	80%	0.803	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-19.6	-178.1	-68	-72	-72.5	0	0	114.1	D401 L403	D401-M405 VanDerWaalsContact O-CG 3.22Å; D401-M405 WeakPolarHBondContact O-CG 3.35Å; L403-M405 PolarHBondContact O-N 3.35Å
406	D	81.9	Confident	84.3	Confident	52 Å²	52	47.7 Å²	47.7	28%	0.278	25%	0.25	S	S	.	.	S	Bend	trans	-119.6	130.6	174.6	159.5	51.6	0	0	0	110.2	Y375 L408 S409 K410	Y375-D406 WeakPolarHBondContact CE2-OD2 3.49Å; Y375-D406 PolarHBondContact OH-OD2 3.22Å; D406-L408 VanDerWaalsContact C-N 3.3Å; D406-L408 PolarHBondContact O-N 2.8Å; D406-L408 PolarHBondContact OD1-N 2.71Å; D406-S409 WeakPolarHBondContact CB-OG 3.04Å; D406-S409 PolarHBondContact O-N 3.22Å; D406-S409 PolarHBondContact O-OG 2.69Å; D406-S409 WeakPolarHBondContact OD2-CB 3.34Å; D406-S409 PolarHBondContact OD2-N 2.92Å; D406-S409 PolarHBondContact OD2-OG 3.43Å; D406-K410 VanDerWaalsContact O-CB 3.28Å; D406-K410 WeakPolarHBondContact O-CB 3.5Å; D406-K410 PolarHBondContact O-N 3.02Å
407	S	80.1	Confident	84.4	Confident	89 Å²	89	46.8 Å²	46.8	62%	0.622	25%	0.247	S	C	*	.	H	α-helix	trans	-63.6	-33.7	-174.3	-166.4	0	0	0	0	112.9	T411	S407-T411 WeakPolarHBondContact O-CG2 3.49Å; S407-T411 PolarHBondContact O-N 3.42Å; S407-T411 PolarHBondContact O-OG1 3.19Å
408	L	82.1	Confident	84.3	Confident	50 Å²	50	42.3 Å²	42.3	26%	0.262	22%	0.224	S	C	.	.	H	α-helix	trans	-76.7	-38.7	-178.9	-64.5	175.9	0	0	0	112.4	L368 L371 L372 Y375 D406 T411 V412	L368-L408 HydrophobicContact CD1-CD1 4.05Å; L368-L408 HydrophobicContact CD2-CD1 4.4Å; L368-L408 HydrophobicContact CG-CD1 4.1Å; L371-L408 HydrophobicContact CD2-CD1 4.38Å; L372-L408 HydrophobicContact CD2-CB 4.4Å; L372-L408 HydrophobicContact CD2-CD2 4.34Å; Y375-L408 HydrophobicContact CD2-CB 4.38Å; Y375-L408 HydrophobicContact CE2-CB 4.19Å; D406-L408 VanDerWaalsContact C-N 3.3Å; D406-L408 PolarHBondContact O-N 2.8Å; D406-L408 PolarHBondContact OD1-N 2.71Å; L408-T411 PolarHBondContact O-OG1 3.26Å; L408-V412 VanDerWaalsContact O-CG2 3.28Å; L408-V412 WeakPolarHBondContact O-CG2 3.22Å; L408-V412 PolarHBondContact O-N 2.84Å
409	S	83.5	Confident	84.4	Confident	4 Å²	4	45.8 Å²	45.8	3%	0.028	24%	0.236	C	C	.	.	H	α-helix	trans	-74.5	-31.4	173.5	55.6	0	0	0	0	112.7	L403 D406 F413	L403-S409 PolarHBondContact O-OG 3.4Å; D406-S409 WeakPolarHBondContact CB-OG 3.04Å; D406-S409 PolarHBondContact O-N 3.22Å; D406-S409 PolarHBondContact O-OG 2.69Å; D406-S409 WeakPolarHBondContact OD2-CB 3.34Å; D406-S409 PolarHBondContact OD2-N 2.92Å; D406-S409 PolarHBondContact OD2-OG 3.43Å; S409-F413 WeakPolarHBondContact O-CB 3.39Å; S409-F413 PolarHBondContact O-N 3.09Å
410	K	85.3	Confident	84.3	Confident	44 Å²	44	46.8 Å²	46.8	19%	0.191	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-52.4	172.2	-176.8	179.4	172.5	-175.9	0	112.4	W400 L403 D406 F413 L414 E436	W400-K410 HydrophobicContact CH2-CG 4.5Å; L403-K410 PolarHBondContact O-N 2.69Å; D406-K410 VanDerWaalsContact O-CB 3.28Å; D406-K410 WeakPolarHBondContact O-CB 3.5Å; D406-K410 PolarHBondContact O-N 3.02Å; K410-F413 WeakPolarHBondContact O-CB 3.25Å; K410-F413 PolarHBondContact O-N 3.49Å; K410-L414 HydrophobicContact CG-CD1 4.28Å; K410-L414 WeakPolarHBondContact O-CG 3.48Å; K410-L414 PolarHBondContact O-N 3.4Å; K410-E436 VanDerWaalsContact CE-OE2 3.31Å; K410-E436 WeakPolarHBondContact CE-OE2 3.35Å; K410-E436 IonicContact NZ-OE1 2.86Å; K410-E436 PolarHBondContact NZ-OE1 3.49Å; K410-E436 IonicContact NZ-OE2 2.7Å; K410-E436 PolarHBondContact NZ-OE2 3.35Å
411	T	85	Confident	84.2	Confident	47 Å²	47	46 Å²	46	29%	0.288	24%	0.237	S	C	.	.	H	α-helix	trans	-61.5	-50.4	178.9	50.5	0	0	0	0	111.3	S407 L408 F413 L414 D415	S407-T411 WeakPolarHBondContact O-CG2 3.49Å; S407-T411 PolarHBondContact O-N 3.42Å; S407-T411 PolarHBondContact O-OG1 3.19Å; L408-T411 PolarHBondContact O-OG1 3.26Å; T411-F413 PolarHBondContact O-N 2.82Å; T411-L414 PolarHBondContact O-N 3.02Å; T411-D415 PolarHBondContact O-N 3.29Å
412	V	84.7	Confident	84	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.012	22%	0.223	C	C	.	.	H	α-helix	trans	-58.9	-32.6	177.1	174	0	0	0	0	112.6	L372 R376 I379 L408 H416	L372-V412 HydrophobicContact CD2-CG2 3.95Å; R376-V412 HydrophobicContact CB-CG1 4.39Å; R376-V412 HydrophobicContact CG-CG1 3.69Å; R376-V412 HydrophobicContact CG-CG2 4.26Å; I379-V412 HydrophobicContact CD1-CB 4.36Å; I379-V412 HydrophobicContact CD1-CG1 4.06Å; L408-V412 VanDerWaalsContact O-CG2 3.28Å; L408-V412 WeakPolarHBondContact O-CG2 3.22Å; L408-V412 PolarHBondContact O-N 2.84Å; V412-H416 PolarHBondContact O-N 3.48Å; V412-H416 PolarHBondContact O-ND1 3.45Å
413	F	87.8	Confident	83.8	Confident	1 Å²	1	43.3 Å²	43.3	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-67.7	-46.2	173.7	178.5	-91.9	0	0	0	112.2	I379 L383 L395 W400 L403 S409 K410 T411 H416 L417 L433	I379-F413 HydrophobicContact CG2-CB 4.19Å; I379-F413 HydrophobicContact CG2-CD2 3.88Å; I379-F413 HydrophobicContact CG2-CG 4.49Å; L383-F413 HydrophobicContact CD1-CD2 4.44Å; L383-F413 HydrophobicContact CD2-CD2 4.32Å; L383-F413 HydrophobicContact CD2-CE2 3.69Å; L383-F413 HydrophobicContact CD2-CZ 4.09Å; L383-F413 HydrophobicContact CG-CD2 4.43Å; L383-F413 HydrophobicContact CG-CE2 4.21Å; L395-F413 HydrophobicContact CD1-CE2 3.84Å; L395-F413 HydrophobicContact CD1-CZ 3.96Å; W400-F413 AromaticContact CE3-CD1 3.87Å; W400-F413 HydrophobicContact CE3-CD1 3.87Å; W400-F413 AromaticContact CE3-CE1 3.61Å; W400-F413 HydrophobicContact CE3-CE1 3.61Å; W400-F413 HydrophobicContact CE3-CZ 4.38Å; W400-F413 AromaticContact CZ3-CD1 3.84Å; W400-F413 HydrophobicContact CZ3-CD1 3.84Å; W400-F413 AromaticContact CZ3-CE1 3.95Å; W400-F413 HydrophobicContact CZ3-CE1 3.95Å; L403-F413 HydrophobicContact CD1-CD2 3.52Å; L403-F413 HydrophobicContact CD1-CE2 3.95Å; L403-F413 HydrophobicContact CD1-CG 4.32Å; S409-F413 WeakPolarHBondContact O-CB 3.39Å; S409-F413 PolarHBondContact O-N 3.09Å; K410-F413 WeakPolarHBondContact O-CB 3.25Å; K410-F413 PolarHBondContact O-N 3.49Å; T411-F413 PolarHBondContact O-N 2.82Å; F413-H416 PolarHBondContact O-N 3Å; F413-L417 HydrophobicContact CE1-CD1 4.44Å; F413-L417 HydrophobicContact CE1-CD2 4.11Å; F413-L417 HydrophobicContact CZ-CD1 4.39Å; F413-L417 WeakPolarHBondContact O-CB 3.38Å; F413-L417 PolarHBondContact O-N 3.18Å; F413-L433 HydrophobicContact CE1-CD1 3.91Å
414	L	87.4	Confident	83.4	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-64.9	-41.8	178.8	-63.2	175.3	0	0	0	111.6	W400 K410 T411 H416 L417 D418 L433 Y437 H440	W400-L414 HydrophobicContact CH2-CD2 4.3Å; W400-L414 HydrophobicContact CZ3-CD2 4.1Å; K410-L414 HydrophobicContact CG-CD1 4.28Å; K410-L414 WeakPolarHBondContact O-CG 3.48Å; K410-L414 PolarHBondContact O-N 3.4Å; T411-L414 PolarHBondContact O-N 3.02Å; L414-H416 VanDerWaalsContact C-N 3.32Å; L414-H416 PolarHBondContact O-N 3.45Å; L414-L417 HydrophobicContact CD2-CD2 4.48Å; L414-L417 WeakPolarHBondContact O-CB 3.38Å; L414-L417 PolarHBondContact O-N 3.39Å; L414-L417 VanDerWaalsContact O-N 3.12Å; L414-D418 PolarHBondContact O-N 3.17Å; L414-L433 HydrophobicContact CD2-CD1 4.25Å; L414-Y437 HydrophobicContact CB-CD2 4.37Å; L414-Y437 HydrophobicContact CD2-CD2 4.09Å; L414-H440 HydrophobicContact CD1-CB 3.86Å
415	D	86.4	Confident	83.3	Confident	63 Å²	63	45.3 Å²	45.3	34%	0.337	26%	0.256	S	S	.	.	H	α-helix	trans	-52.9	-46.7	173.5	-67.6	-8.4	0	0	0	112.3	T411 L417 H440	T411-D415 PolarHBondContact O-N 3.29Å; D415-L417 VanDerWaalsContact C-N 3.34Å; D415-H440 IonicContact OD1-CE1 2.75Å; D415-H440 PolarHBondContact OD1-CE1 2.9Å
416	H	86	Confident	83.4	Confident	35 Å²	35	38.5 Å²	38.5	16%	0.162	22%	0.223	C	C	.	.	H	α-helix	trans	-83.4	-12.7	-177.1	-70.1	77.8	0	0	0	112.9	L383 V412 F413 L414 Y420	L383-H416 HydrophobicContact CD1-CB 3.46Å; L383-H416 VanDerWaalsContact CD1-CB 3.46Å; V412-H416 PolarHBondContact O-N 3.48Å; V412-H416 PolarHBondContact O-ND1 3.45Å; F413-H416 PolarHBondContact O-N 3Å; L414-H416 VanDerWaalsContact C-N 3.32Å; L414-H416 PolarHBondContact O-N 3.45Å; H416-Y420 VanDerWaalsContact O-CD2 3.29Å; H416-Y420 WeakPolarHBondContact O-CD2 3.31Å; H416-Y420 WeakPolarHBondContact O-CE2 3.37Å
417	L	87.1	Confident	83.3	Confident	2 Å²	2	42 Å²	42	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-75.3	-29.4	175.7	-163.6	67.4	0	0	0	111.2	L383 F413 L414 D415 E419 Y420 V421 L426 L433 Y437	L383-L417 HydrophobicContact CD2-CD1 3.73Å; F413-L417 HydrophobicContact CE1-CD1 4.44Å; F413-L417 HydrophobicContact CE1-CD2 4.11Å; F413-L417 HydrophobicContact CZ-CD1 4.39Å; F413-L417 WeakPolarHBondContact O-CB 3.38Å; F413-L417 PolarHBondContact O-N 3.18Å; L414-L417 HydrophobicContact CD2-CD2 4.48Å; L414-L417 WeakPolarHBondContact O-CB 3.38Å; L414-L417 PolarHBondContact O-N 3.39Å; L414-L417 VanDerWaalsContact O-N 3.12Å; D415-L417 VanDerWaalsContact C-N 3.34Å; L417-E419 VanDerWaalsContact C-N 3.35Å; L417-E419 PolarHBondContact O-N 3.44Å; L417-Y420 PolarHBondContact O-N 3.19Å; L417-V421 HydrophobicContact CD2-CG2 4.5Å; L417-V421 HydrophobicContact CG-CG2 4.04Å; L417-V421 WeakPolarHBondContact O-CG2 3.17Å; L417-V421 PolarHBondContact O-N 3.41Å; L417-L426 HydrophobicContact CD1-CD1 3.89Å; L417-L426 HydrophobicContact CD1-CD2 4.43Å; L417-L426 HydrophobicContact CD2-CD1 4.42Å; L417-L426 HydrophobicContact CG-CD1 4.12Å; L417-L433 HydrophobicContact CD2-CD1 3.99Å; L417-L433 HydrophobicContact CD2-CD2 4.47Å; L417-L433 HydrophobicContact CD2-CG 4.43Å; L417-Y437 HydrophobicContact CB-CE2 4.46Å; L417-Y437 HydrophobicContact CD2-CD2 4.27Å
418	D	84.3	Confident	83.3	Confident	19 Å²	19	42.4 Å²	42.4	10%	0.102	24%	0.235	C	C	.	.	H	α-helix	trans	-53	-46.2	-179.3	-175.4	66.1	0	0	0	112.7	L414 Y420 V421 L422 Y437 Q449	L414-D418 PolarHBondContact O-N 3.17Å; D418-Y420 PolarHBondContact O-N 3.27Å; D418-Y420 VanDerWaalsContact O-N 3.16Å; D418-V421 PolarHBondContact O-N 2.83Å; D418-L422 WeakPolarHBondContact O-CB 3.46Å; D418-L422 VanDerWaalsContact O-CG 3.26Å; D418-L422 WeakPolarHBondContact O-CG 3.47Å; D418-L422 PolarHBondContact O-N 3.4Å; D418-L422 WeakPolarHBondContact OD2-CD1 3.33Å; D418-Y437 WeakPolarHBondContact CA-OH 3.27Å; D418-Y437 HydrophobicContact CB-CE2 4.34Å; D418-Y437 PolarHBondContact OD1-OH 2.97Å; D418-Q449 PolarHBondContact OD2-NE2 3.22Å
419	E	84.8	Confident	83.4	Confident	99 Å²	99	40.1 Å²	40.1	46%	0.463	22%	0.223	S	C	.	.	H	α-helix	trans	-50.6	-43.1	175.3	-171.1	178.8	176.5	0	0	111.7	L417 D423	L417-E419 VanDerWaalsContact C-N 3.35Å; L417-E419 PolarHBondContact O-N 3.44Å; E419-D423 PolarHBondContact O-N 3.2Å; E419-D423 VanDerWaalsContact O-N 3.14Å
420	Y	83.7	Confident	83.6	Confident	21 Å²	21	41.6 Å²	41.6	8%	0.082	23%	0.233	C	C	.	.	H	α-helix	trans	-86.7	-26.6	-176.6	-57.5	-81.1	0	0	0	114.3	L383 K384 I387 H416 L417 D418 G424 A425	L383-Y420 HydrophobicContact CB-CD2 4.41Å; L383-Y420 HydrophobicContact CB-CE2 3.82Å; L383-Y420 HydrophobicContact CD1-CE2 4.47Å; K384-Y420 WeakPolarHBondContact CA-OH 3.35Å; K384-Y420 WeakPolarHBondContact CB-OH 3.37Å; I387-Y420 HydrophobicContact CB-CD1 4.26Å; I387-Y420 HydrophobicContact CD1-CD1 3.67Å; I387-Y420 HydrophobicContact CD1-CD2 3.69Å; I387-Y420 HydrophobicContact CD1-CE1 4.25Å; I387-Y420 HydrophobicContact CD1-CE2 4.29Å; I387-Y420 HydrophobicContact CD1-CG 3.35Å; I387-Y420 HydrophobicContact CG2-CD1 3.93Å; H416-Y420 VanDerWaalsContact O-CD2 3.29Å; H416-Y420 WeakPolarHBondContact O-CD2 3.31Å; H416-Y420 WeakPolarHBondContact O-CE2 3.37Å; L417-Y420 PolarHBondContact O-N 3.19Å; D418-Y420 PolarHBondContact O-N 3.27Å; D418-Y420 VanDerWaalsContact O-N 3.16Å; Y420-G424 PolarHBondContact O-N 3.47Å; Y420-A425 PolarHBondContact O-N 2.89Å
421	V	83.9	Confident	83.5	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.024	24%	0.244	C	C	.	.	H	α-helix	trans	-66.5	-44.3	170.1	172.3	0	0	0	0	109.4	L417 D418 G424 L426 Y437 A453 R456 F457	L417-V421 HydrophobicContact CD2-CG2 4.5Å; L417-V421 HydrophobicContact CG-CG2 4.04Å; L417-V421 WeakPolarHBondContact O-CG2 3.17Å; L417-V421 PolarHBondContact O-N 3.41Å; D418-V421 PolarHBondContact O-N 2.83Å; V421-G424 PolarHBondContact O-N 2.89Å; V421-G424 VanDerWaalsContact O-N 3.08Å; V421-L426 HydrophobicContact CG2-CD1 3.7Å; V421-Y437 HydrophobicContact CB-CE1 4.44Å; V421-Y437 HydrophobicContact CG1-CE1 4.03Å; V421-Y437 HydrophobicContact CG2-CE1 4.12Å; V421-Y437 HydrophobicContact CG2-CE2 4.4Å; V421-A453 HydrophobicContact CG1-CB 3.7Å; V421-R456 WeakPolarHBondContact O-CD 3.33Å; V421-F457 HydrophobicContact CB-CZ 4.37Å; V421-F457 HydrophobicContact CG1-CE1 4.21Å; V421-F457 HydrophobicContact CG1-CE2 3.91Å; V421-F457 HydrophobicContact CG1-CZ 3.61Å; V421-F457 HydrophobicContact CG2-CE1 4.23Å; V421-F457 HydrophobicContact CG2-CZ 3.75Å
422	L	80.1	Confident	83.5	Confident	42 Å²	42	44.1 Å²	44.1	22%	0.22	26%	0.255	C	S	.	.	H	α-helix	trans	-68.1	-34.6	177.4	-63.1	176.1	0	0	0	112.2	D418 G424 R456	D418-L422 WeakPolarHBondContact O-CB 3.46Å; D418-L422 VanDerWaalsContact O-CG 3.26Å; D418-L422 WeakPolarHBondContact O-CG 3.47Å; D418-L422 PolarHBondContact O-N 3.4Å; D418-L422 WeakPolarHBondContact OD2-CD1 3.33Å; L422-G424 PolarHBondContact O-N 2.96Å; L422-R456 VanDerWaalsContact CD2-NH1 3.27Å; L422-R456 PolarHBondContact O-NE 3.08Å; L422-R456 PolarHBondContact O-NH1 3.31Å; L422-R456 PolarHBondContact O-NH2 3.31Å
423	D	79.6	Confident	83.6	Confident	129 Å²	129	44.2 Å²	44.2	69%	0.69	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-8.1	171	-88.3	-0	0	0	0	113.9	E419 A425	E419-D423 PolarHBondContact O-N 3.2Å; E419-D423 VanDerWaalsContact O-N 3.14Å; D423-A425 HydrophobicContact CB-CB 4.44Å; D423-A425 PolarHBondContact O-N 3.47Å
424	G	75.4	Confident	83.5	Confident	47 Å²	47	44.2 Å²	44.2	49%	0.485	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	25	-176.8	0	0	0	0	0	113.3	Y420 V421 L422 L426	Y420-G424 PolarHBondContact O-N 3.47Å; V421-G424 PolarHBondContact O-N 2.89Å; V421-G424 VanDerWaalsContact O-N 3.08Å; L422-G424 PolarHBondContact O-N 2.96Å; G424-L426 VanDerWaalsContact C-N 3.35Å
425	A	79.6	Confident	83.5	Confident	37 Å²	37	46 Å²	46	31%	0.306	27%	0.265	S	S	.	.			trans	-81.8	-12.2	-172	0	0	0	0	0	114	I387 Y420 D423	I387-A425 HydrophobicContact CG2-CB 3.62Å; Y420-A425 PolarHBondContact O-N 2.89Å; D423-A425 HydrophobicContact CB-CB 4.44Å; D423-A425 PolarHBondContact O-N 3.47Å
426	L	82.1	Confident	83.5	Confident	19 Å²	19	46.3 Å²	46.3	10%	0.099	26%	0.264	C	S	.	.			trans	-88.3	110.5	178.8	-61.8	179.7	0	0	0	110.7	I387 L392 L395 Y396 L417 V421 G424	I387-L426 HydrophobicContact CD1-CD2 3.81Å; I387-L426 HydrophobicContact CG1-CD2 4.06Å; L392-L426 HydrophobicContact CD2-CD2 4.35Å; L395-L426 HydrophobicContact CD2-CD2 4.15Å; Y396-L426 HydrophobicContact CE1-CD2 4.26Å; L417-L426 HydrophobicContact CD1-CD1 3.89Å; L417-L426 HydrophobicContact CD1-CD2 4.43Å; L417-L426 HydrophobicContact CD2-CD1 4.42Å; L417-L426 HydrophobicContact CG-CD1 4.12Å; V421-L426 HydrophobicContact CG2-CD1 3.7Å; G424-L426 VanDerWaalsContact C-N 3.35Å
427	I	80.1	Confident	83.5	Confident	127 Å²	127	44.7 Å²	44.7	65%	0.651	26%	0.257	S	S	*	.	S	Bend	trans	-91	124.4	174.4	-54.2	175	0	0	0	108	L392 Y396	L392-I427 HydrophobicContact CD1-CB 3.92Å; L392-I427 HydrophobicContact CD1-CG1 4.25Å; Y396-I427 WeakPolarHBondContact CE2-O 3.47Å; Y396-I427 PolarHBondContact OH-N 3.04Å; Y396-I427 PolarHBondContact OH-O 2.96Å
428	D	79.9	Confident	83.5	Confident	96 Å²	96	44.9 Å²	44.9	51%	0.513	26%	0.258	S	S	.	.	S	Bend	trans	47.5	60.3	175.7	-155.4	27.6	0	0	0	115.9	H460	D428-H460 IonicContact OD1-CD2 3.08Å; D428-H460 IonicContact OD1-CE1 3.8Å; D428-H460 IonicContact OD1-NE2 2.92Å; D428-H460 PolarHBondContact OD1-NE2 3.34Å
429	P	85.6	Confident	83.6	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.013	27%	0.274	C	S	.	.			trans	-71.1	145.7	-178.9	29.2	-34.3	0	0	0	112.8	Y396 V434 F457 T461	Y396-P429 HydrophobicContact CE1-CB 4.07Å; P429-V434 HydrophobicContact CB-CG2 3.95Å; P429-V434 HydrophobicContact CG-CG2 3.72Å; P429-F457 HydrophobicContact CG-CD1 3.69Å; P429-F457 HydrophobicContact CG-CE1 3.8Å; P429-T461 VanDerWaalsContact O-CG2 3.23Å; P429-T461 WeakPolarHBondContact O-CG2 3.45Å
430	P	86.2	Confident	83.7	Confident	36 Å²	36	45.3 Å²	45.3	23%	0.234	26%	0.259	C	S	.	.			trans	-59.7	137.1	-179.3	-23.6	32.1	0	0	0	113.2	Y396 P432 L433 V434	Y396-P430 HydrophobicContact CD1-CG 4.38Å; Y396-P430 HydrophobicContact CD2-CG 4.46Å; Y396-P430 HydrophobicContact CG-CG 3.99Å; P430-P432 VanDerWaalsContact C-CD 3.42Å; P430-P432 VanDerWaalsContact C-N 3.33Å; P430-L433 HydrophobicContact CB-CB 4.45Å; P430-L433 WeakPolarHBondContact O-CB 3.41Å; P430-L433 PolarHBondContact O-N 3.29Å; P430-V434 PolarHBondContact O-N 3.3Å; P430-V434 VanDerWaalsContact O-N 3.12Å
431	P	84.9	Confident	83.8	Confident	63 Å²	63	44.7 Å²	44.7	41%	0.409	26%	0.257	S	S	.	.	H	α-helix	trans	-52.8	-37.9	177.1	-22.6	29.1	0	0	0	115.2	L433 V434 N435 T461	P431-L433 PolarHBondContact O-N 3.01Å; P431-V434 PolarHBondContact O-N 2.98Å; P431-N435 WeakPolarHBondContact O-CB 3.36Å; P431-N435 VanDerWaalsContact O-CG 3.3Å; P431-N435 PolarHBondContact O-N 3.5Å; P431-T461 WeakPolarHBondContact CA-O 3.3Å
432	P	84.8	Confident	83.9	Confident	81 Å²	81	45.7 Å²	45.7	53%	0.526	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-39.4	175.3	-25	35.7	0	0	0	113.7	P430 E436	P430-P432 VanDerWaalsContact C-CD 3.42Å; P430-P432 VanDerWaalsContact C-N 3.33Å; P432-E436 WeakPolarHBondContact O-CB 3.04Å; P432-E436 VanDerWaalsContact O-CG 3.27Å; P432-E436 WeakPolarHBondContact O-CG 3.33Å; P432-E436 PolarHBondContact O-N 3.5Å; P432-E436 VanDerWaalsContact O-N 3.11Å
433	L	86.1	Confident	84.1	Confident	4 Å²	4	48 Å²	48	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-67.2	-44	177	170	61.8	0	0	0	110.8	Y396 W400 F413 L414 L417 P430 P431 Y437	Y396-L433 HydrophobicContact CD1-CD2 4.06Å; Y396-L433 HydrophobicContact CE1-CD2 4.28Å; W400-L433 HydrophobicContact CD2-CB 4.49Å; W400-L433 HydrophobicContact CD2-CD1 3.81Å; W400-L433 HydrophobicContact CE3-CD1 3.59Å; W400-L433 HydrophobicContact CH2-CD1 3.84Å; W400-L433 HydrophobicContact CZ2-CB 4.48Å; W400-L433 HydrophobicContact CZ2-CD1 4.07Å; W400-L433 HydrophobicContact CZ3-CD1 3.6Å; F413-L433 HydrophobicContact CE1-CD1 3.91Å; L414-L433 HydrophobicContact CD2-CD1 4.25Å; L417-L433 HydrophobicContact CD2-CD1 3.99Å; L417-L433 HydrophobicContact CD2-CD2 4.47Å; L417-L433 HydrophobicContact CD2-CG 4.43Å; P430-L433 HydrophobicContact CB-CB 4.45Å; P430-L433 WeakPolarHBondContact O-CB 3.41Å; P430-L433 PolarHBondContact O-N 3.29Å; P431-L433 PolarHBondContact O-N 3.01Å; L433-Y437 VanDerWaalsContact O-CB 3.29Å; L433-Y437 WeakPolarHBondContact O-CB 3.4Å; L433-Y437 PolarHBondContact O-N 3.05Å
434	V	86.6	Confident	84.3	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-46.2	178.7	177.4	0	0	0	0	111	P429 P430 P431 Y437 L438 F457 L462	P429-V434 HydrophobicContact CB-CG2 3.95Å; P429-V434 HydrophobicContact CG-CG2 3.72Å; P430-V434 PolarHBondContact O-N 3.3Å; P430-V434 VanDerWaalsContact O-N 3.12Å; P431-V434 PolarHBondContact O-N 2.98Å; V434-Y437 PolarHBondContact O-N 3.14Å; V434-L438 HydrophobicContact CG1-CD1 3.89Å; V434-L438 HydrophobicContact CG1-CG 4.39Å; V434-L438 WeakPolarHBondContact O-CB 3.49Å; V434-L438 VanDerWaalsContact O-CG 3.3Å; V434-L438 WeakPolarHBondContact O-CG 3.23Å; V434-L438 PolarHBondContact O-N 3.11Å; V434-F457 HydrophobicContact CG1-CD1 4.41Å; V434-F457 HydrophobicContact CG1-CD2 3.8Å; V434-F457 HydrophobicContact CG1-CE2 4Å; V434-F457 HydrophobicContact CG1-CG 4.01Å; V434-F457 HydrophobicContact CG1-CZ 4.39Å; V434-F457 HydrophobicContact CG2-CD1 4.03Å; V434-F457 HydrophobicContact CG2-CE1 4.01Å; V434-F457 HydrophobicContact CG2-CG 4.43Å; V434-F457 HydrophobicContact CG2-CZ 4.37Å; V434-L462 HydrophobicContact CG1-CD2 3.75Å
435	N	86.5	Confident	84.5	Confident	39 Å²	39	45.6 Å²	45.6	21%	0.209	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-43.3	179.6	-73.3	-14.2	0	0	0	112.4	P431 L438 Q439 D463	P431-N435 WeakPolarHBondContact O-CB 3.36Å; P431-N435 VanDerWaalsContact O-CG 3.3Å; P431-N435 PolarHBondContact O-N 3.5Å; N435-L438 PolarHBondContact O-N 2.78Å; N435-Q439 WeakPolarHBondContact O-CB 3.37Å; N435-Q439 VanDerWaalsContact O-CG 3.23Å; N435-Q439 WeakPolarHBondContact O-CG 3.46Å; N435-Q439 PolarHBondContact O-N 3.38Å; N435-D463 WeakPolarHBondContact OD1-CB 3.11Å; N435-D463 PolarHBondContact OD1-N 3.12Å
436	E	85.6	Confident	84.8	Confident	69 Å²	69	47.6 Å²	47.6	32%	0.322	28%	0.275	S	S	.	.	H	α-helix	trans	-64.3	-42.1	176.8	-77.2	-83.3	-156.6	0	0	112.3	W400 K410 P432 Q439 H440	W400-E436 HydrophobicContact CH2-CB 4.07Å; W400-E436 HydrophobicContact CZ2-CB 4.18Å; W400-E436 HydrophobicContact CZ2-CG 4.25Å; K410-E436 VanDerWaalsContact CE-OE2 3.31Å; K410-E436 WeakPolarHBondContact CE-OE2 3.35Å; K410-E436 IonicContact NZ-OE1 2.86Å; K410-E436 PolarHBondContact NZ-OE1 3.49Å; K410-E436 IonicContact NZ-OE2 2.7Å; K410-E436 PolarHBondContact NZ-OE2 3.35Å; P432-E436 WeakPolarHBondContact O-CB 3.04Å; P432-E436 VanDerWaalsContact O-CG 3.27Å; P432-E436 WeakPolarHBondContact O-CG 3.33Å; P432-E436 PolarHBondContact O-N 3.5Å; P432-E436 VanDerWaalsContact O-N 3.11Å; E436-Q439 PolarHBondContact O-N 3.41Å; E436-H440 WeakPolarHBondContact O-CB 3.46Å; E436-H440 PolarHBondContact O-N 3.07Å
437	Y	87.3	Confident	84.8	Confident	2 Å²	2	50 Å²	50	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-45.9	174.9	173.5	-100.9	0	0	0	112.6	L414 L417 D418 V421 L433 V434 H440 L441 A453 F457	L414-Y437 HydrophobicContact CB-CD2 4.37Å; L414-Y437 HydrophobicContact CD2-CD2 4.09Å; L417-Y437 HydrophobicContact CB-CE2 4.46Å; L417-Y437 HydrophobicContact CD2-CD2 4.27Å; D418-Y437 WeakPolarHBondContact CA-OH 3.27Å; D418-Y437 HydrophobicContact CB-CE2 4.34Å; D418-Y437 PolarHBondContact OD1-OH 2.97Å; V421-Y437 HydrophobicContact CB-CE1 4.44Å; V421-Y437 HydrophobicContact CG1-CE1 4.03Å; V421-Y437 HydrophobicContact CG2-CE1 4.12Å; V421-Y437 HydrophobicContact CG2-CE2 4.4Å; L433-Y437 VanDerWaalsContact O-CB 3.29Å; L433-Y437 WeakPolarHBondContact O-CB 3.4Å; L433-Y437 PolarHBondContact O-N 3.05Å; V434-Y437 PolarHBondContact O-N 3.14Å; Y437-H440 WeakPolarHBondContact O-CB 3.47Å; Y437-H440 PolarHBondContact O-N 2.67Å; Y437-L441 HydrophobicContact CD1-CD1 4.25Å; Y437-L441 HydrophobicContact CE1-CD1 3.57Å; Y437-L441 HydrophobicContact CE1-CG 4.5Å; Y437-L441 HydrophobicContact CE2-CD1 4.28Å; Y437-L441 PolarHBondContact O-N 3.08Å; Y437-L441 VanDerWaalsContact O-N 3.12Å; Y437-A453 HydrophobicContact CE1-CB 3.76Å; Y437-F457 AromaticContact CD1-CE2 3.86Å; Y437-F457 HydrophobicContact CD1-CE2 3.86Å; Y437-F457 AromaticContact CD1-CZ 3.95Å; Y437-F457 HydrophobicContact CD1-CZ 3.95Å; Y437-F457 AromaticContact CE1-CE2 3.96Å; Y437-F457 HydrophobicContact CE1-CE2 3.96Å; Y437-F457 HydrophobicContact CE1-CZ 4.1Å
438	L	86.8	Confident	84.8	Confident	5 Å²	5	48.3 Å²	48.3	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-67.2	-36.1	177.9	-70.3	178.1	0	0	0	112.1	V434 N435 A442 F450 A453 V454 F457 L462 V467	V434-L438 HydrophobicContact CG1-CD1 3.89Å; V434-L438 HydrophobicContact CG1-CG 4.39Å; V434-L438 WeakPolarHBondContact O-CB 3.49Å; V434-L438 VanDerWaalsContact O-CG 3.3Å; V434-L438 WeakPolarHBondContact O-CG 3.23Å; V434-L438 PolarHBondContact O-N 3.11Å; N435-L438 PolarHBondContact O-N 2.78Å; L438-A442 WeakPolarHBondContact O-CB 3.32Å; L438-A442 PolarHBondContact O-N 2.75Å; L438-A442 VanDerWaalsContact O-N 3.08Å; L438-F450 HydrophobicContact CB-CD2 4.27Å; L438-F450 HydrophobicContact CB-CE2 3.77Å; L438-F450 HydrophobicContact CD2-CD2 3.95Å; L438-F450 HydrophobicContact CD2-CE2 4Å; L438-F450 HydrophobicContact CD2-CG 4.47Å; L438-F450 HydrophobicContact CG-CE2 4.38Å; L438-F450 WeakPolarHBondContact O-CD2 3.44Å; L438-F450 WeakPolarHBondContact O-CE2 3.12Å; L438-A453 HydrophobicContact CD2-CB 4.23Å; L438-V454 HydrophobicContact CD1-CG2 4.14Å; L438-V454 HydrophobicContact CD2-CG2 3.83Å; L438-F457 HydrophobicContact CD2-CE2 4.37Å; L438-L462 HydrophobicContact CD1-CD2 3.59Å; L438-V467 HydrophobicContact CD1-CG2 3.97Å
439	Q	86.4	Confident	85	Confident	97 Å²	97	46.9 Å²	46.9	45%	0.453	28%	0.275	S	S	.	.	H	α-helix	trans	-67.2	-36.9	173.2	-74.2	175.6	19.8	0	0	112.4	N435 E436 A442 A443	N435-Q439 WeakPolarHBondContact O-CB 3.37Å; N435-Q439 VanDerWaalsContact O-CG 3.23Å; N435-Q439 WeakPolarHBondContact O-CG 3.46Å; N435-Q439 PolarHBondContact O-N 3.38Å; E436-Q439 PolarHBondContact O-N 3.41Å; Q439-A442 PolarHBondContact O-N 3.25Å; Q439-A443 VanDerWaalsContact O-CB 3.32Å; Q439-A443 WeakPolarHBondContact O-CB 3.38Å; Q439-A443 PolarHBondContact O-N 3.21Å
440	H	87.6	Confident	85	Confident	31 Å²	31	46.8 Å²	46.8	14%	0.144	27%	0.274	C	S	.	.	H	α-helix	trans	-59.4	-53.9	173.7	-168.8	-86.5	0	0	0	111.5	L414 D415 E436 Y437 A442 A443 E444	L414-H440 HydrophobicContact CD1-CB 3.86Å; D415-H440 IonicContact OD1-CE1 2.75Å; D415-H440 PolarHBondContact OD1-CE1 2.9Å; E436-H440 WeakPolarHBondContact O-CB 3.46Å; E436-H440 PolarHBondContact O-N 3.07Å; Y437-H440 WeakPolarHBondContact O-CB 3.47Å; Y437-H440 PolarHBondContact O-N 2.67Å; H440-A442 VanDerWaalsContact C-N 3.27Å; H440-A442 PolarHBondContact O-N 3.06Å; H440-A443 PolarHBondContact O-N 2.88Å; H440-A443 VanDerWaalsContact O-N 3.1Å; H440-E444 IonicContact CE1-OE1 3.79Å; H440-E444 PolarHBondContact CE1-OE1 2.79Å; H440-E444 VanDerWaalsContact CE1-OE1 3.31Å; H440-E444 IonicContact CE1-OE2 2.77Å; H440-E444 PolarHBondContact CE1-OE2 2.97Å; H440-E444 IonicContact ND1-OE1 3.24Å; H440-E444 IonicContact ND1-OE2 2.87Å; H440-E444 PolarHBondContact ND1-OE2 3.25Å; H440-E444 PolarHBondContact O-N 2.91Å
441	L	85.1	Confident	84.8	Confident	7 Å²	7	46.6 Å²	46.6	4%	0.037	27%	0.27	C	S	.	.	H	α-helix	trans	-59.2	-37.2	178	-68.2	177.2	0	0	0	112.6	Y437 G445 H446 Q449 F450	Y437-L441 HydrophobicContact CD1-CD1 4.25Å; Y437-L441 HydrophobicContact CE1-CD1 3.57Å; Y437-L441 HydrophobicContact CE1-CG 4.5Å; Y437-L441 HydrophobicContact CE2-CD1 4.28Å; Y437-L441 PolarHBondContact O-N 3.08Å; Y437-L441 VanDerWaalsContact O-N 3.12Å; L441-G445 PolarHBondContact O-N 3.41Å; L441-H446 HydrophobicContact CB-CB 4.43Å; L441-H446 HydrophobicContact CD2-CB 3.91Å; L441-H446 PolarHBondContact O-N 2.85Å; L441-Q449 HydrophobicContact CD1-CB 4.27Å; L441-Q449 HydrophobicContact CD2-CB 4.16Å; L441-F450 HydrophobicContact CB-CB 4.23Å; L441-F450 HydrophobicContact CB-CD2 4.25Å; L441-F450 HydrophobicContact CD1-CB 4.42Å
442	A	84.8	Confident	84.7	Confident	25 Å²	25	45.6 Å²	45.6	21%	0.207	26%	0.264	C	S	.	.	H	α-helix	trans	-70.2	-37	176.2	0	0	0	0	0	112.8	L438 Q439 H440 G445 F450 I470	L438-A442 WeakPolarHBondContact O-CB 3.32Å; L438-A442 PolarHBondContact O-N 2.75Å; L438-A442 VanDerWaalsContact O-N 3.08Å; Q439-A442 PolarHBondContact O-N 3.25Å; H440-A442 VanDerWaalsContact C-N 3.27Å; H440-A442 PolarHBondContact O-N 3.06Å; A442-G445 PolarHBondContact O-N 3.03Å; A442-F450 HydrophobicContact CB-CD2 4.33Å; A442-F450 HydrophobicContact CB-CE2 4.27Å; A442-I470 HydrophobicContact CB-CD1 4.07Å; A442-I470 HydrophobicContact CB-CG2 4.25Å
443	A	85.1	Confident	84.7	Confident	90 Å²	90	41.7 Å²	41.7	74%	0.744	24%	0.239	S	C	*	.	H	α-helix	trans	-70.6	-32.1	177.4	0	0	0	0	0	113	Q439 H440	Q439-A443 VanDerWaalsContact O-CB 3.32Å; Q439-A443 WeakPolarHBondContact O-CB 3.38Å; Q439-A443 PolarHBondContact O-N 3.21Å; H440-A443 PolarHBondContact O-N 2.88Å; H440-A443 VanDerWaalsContact O-N 3.1Å
444	E	83.8	Confident	84.7	Confident	91 Å²	91	41.5 Å²	41.5	43%	0.425	24%	0.238	S	C	.	.	H	α-helix	trans	-81.9	-12.3	174.5	-65.4	-173.4	133.9	0	0	113.8	H440 H446	H440-E444 IonicContact CE1-OE1 3.79Å; H440-E444 PolarHBondContact CE1-OE1 2.79Å; H440-E444 VanDerWaalsContact CE1-OE1 3.31Å; H440-E444 IonicContact CE1-OE2 2.77Å; H440-E444 PolarHBondContact CE1-OE2 2.97Å; H440-E444 IonicContact ND1-OE1 3.24Å; H440-E444 IonicContact ND1-OE2 2.87Å; H440-E444 PolarHBondContact ND1-OE2 3.25Å; H440-E444 PolarHBondContact O-N 2.91Å; E444-H446 WeakPolarHBondContact CB-ND1 3.37Å; E444-H446 IonicContact OE2-CE1 3.03Å; E444-H446 PolarHBondContact OE2-CE1 3.26Å; E444-H446 VanDerWaalsContact OE2-CE1 3.31Å; E444-H446 IonicContact OE2-ND1 2.77Å; E444-H446 PolarHBondContact OE2-ND1 2.84Å
445	G	80.4	Confident	84.5	Confident	35 Å²	35	42.3 Å²	42.3	36%	0.361	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	15.3	-176.1	0	0	0	0	0	114.5	L441 A442 F447	L441-G445 PolarHBondContact O-N 3.41Å; A442-G445 PolarHBondContact O-N 3.03Å; G445-F447 VanDerWaalsContact O-CD2 3.25Å; G445-F447 WeakPolarHBondContact O-CD2 3.46Å; G445-F447 PolarHBondContact O-N 2.82Å
446	H	85.1	Confident	84.3	Confident	80 Å²	80	45.9 Å²	45.9	37%	0.37	25%	0.254	S	S	.	.			trans	-78.2	52.8	-178.9	-68.8	147.6	0	0	0	112.8	L441 E444 S448 Q449 F450	L441-H446 HydrophobicContact CB-CB 4.43Å; L441-H446 HydrophobicContact CD2-CB 3.91Å; L441-H446 PolarHBondContact O-N 2.85Å; E444-H446 WeakPolarHBondContact CB-ND1 3.37Å; E444-H446 IonicContact OE2-CE1 3.03Å; E444-H446 PolarHBondContact OE2-CE1 3.26Å; E444-H446 VanDerWaalsContact OE2-CE1 3.31Å; E444-H446 IonicContact OE2-ND1 2.77Å; E444-H446 PolarHBondContact OE2-ND1 2.84Å; H446-S448 VanDerWaalsContact C-N 3.31Å; H446-S448 PolarHBondContact O-N 3.12Å; H446-Q449 PolarHBondContact O-N 2.82Å; H446-F450 PolarHBondContact O-N 2.98Å
447	F	81.7	Confident	84.3	Confident	68 Å²	68	42.9 Å²	42.9	30%	0.298	24%	0.24	S	C	.	.	H	α-helix	trans	-62.5	-28	-170.2	-61.8	-61.4	0	0	0	115.2	G445 Q451 N474 I476	G445-F447 VanDerWaalsContact O-CD2 3.25Å; G445-F447 WeakPolarHBondContact O-CD2 3.46Å; G445-F447 PolarHBondContact O-N 2.82Å; F447-Q451 WeakPolarHBondContact O-CB 3.2Å; F447-Q451 PolarHBondContact O-N 3.46Å; F447-N474 HydrophobicContact CD1-CB 4.28Å; F447-N474 HydrophobicContact CE1-CB 4.23Å; F447-N474 HydrophobicContact CZ-CB 4.47Å; F447-N474 WeakPolarHBondContact CZ-OD1 3.47Å; F447-I476 HydrophobicContact CB-CD1 3.91Å; F447-I476 HydrophobicContact CD1-CD1 3.74Å; F447-I476 HydrophobicContact CG-CD1 4.15Å
448	S	81.5	Confident	84	Confident	93 Å²	93	44.6 Å²	44.6	65%	0.65	25%	0.251	S	S	*	.	H	α-helix	trans	-70.9	-39.9	176.5	-172.9	0	0	0	0	112.6	H446 S452	H446-S448 VanDerWaalsContact C-N 3.31Å; H446-S448 PolarHBondContact O-N 3.12Å; S448-S452 WeakPolarHBondContact O-CB 3.37Å; S448-S452 PolarHBondContact O-N 2.93Å; S448-S452 VanDerWaalsContact O-N 3.14Å; S448-S452 PolarHBondContact O-OG 2.63Å
449	Q	82.2	Confident	83.8	Confident	66 Å²	66	46.7 Å²	46.7	31%	0.308	26%	0.262	S	S	.	.	H	α-helix	trans	-68	-43.9	171.7	-77.7	163.2	-53.2	0	0	110.6	D418 L441 H446 Q451 S452 A453	D418-Q449 PolarHBondContact OD2-NE2 3.22Å; L441-Q449 HydrophobicContact CD1-CB 4.27Å; L441-Q449 HydrophobicContact CD2-CB 4.16Å; H446-Q449 PolarHBondContact O-N 2.82Å; Q449-Q451 VanDerWaalsContact C-N 3.34Å; Q449-Q451 PolarHBondContact O-N 2.73Å; Q449-S452 PolarHBondContact O-N 2.87Å; Q449-S452 VanDerWaalsContact O-N 3.09Å; Q449-A453 WeakPolarHBondContact O-CB 3.43Å; Q449-A453 PolarHBondContact O-N 3.48Å
450	F	85.6	Confident	83.5	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-53.2	-50	174.4	-177.2	-80.9	0	0	0	111.5	L438 L441 A442 H446 S452 A453 V454 I470 I476	L438-F450 HydrophobicContact CB-CD2 4.27Å; L438-F450 HydrophobicContact CB-CE2 3.77Å; L438-F450 HydrophobicContact CD2-CD2 3.95Å; L438-F450 HydrophobicContact CD2-CE2 4Å; L438-F450 HydrophobicContact CD2-CG 4.47Å; L438-F450 HydrophobicContact CG-CE2 4.38Å; L438-F450 WeakPolarHBondContact O-CD2 3.44Å; L438-F450 WeakPolarHBondContact O-CE2 3.12Å; L441-F450 HydrophobicContact CB-CB 4.23Å; L441-F450 HydrophobicContact CB-CD2 4.25Å; L441-F450 HydrophobicContact CD1-CB 4.42Å; A442-F450 HydrophobicContact CB-CD2 4.33Å; A442-F450 HydrophobicContact CB-CE2 4.27Å; H446-F450 PolarHBondContact O-N 2.98Å; F450-S452 VanDerWaalsContact C-N 3.33Å; F450-S452 PolarHBondContact O-N 3.46Å; F450-A453 PolarHBondContact O-N 2.96Å; F450-V454 HydrophobicContact CD1-CG2 4Å; F450-V454 HydrophobicContact CE1-CG2 3.69Å; F450-V454 HydrophobicContact CZ-CG2 4.12Å; F450-V454 WeakPolarHBondContact O-CG2 3.41Å; F450-V454 PolarHBondContact O-N 3.31Å; F450-I470 HydrophobicContact CE1-CB 4.46Å; F450-I470 HydrophobicContact CE1-CG2 3.94Å; F450-I470 HydrophobicContact CE2-CD1 4.03Å; F450-I470 HydrophobicContact CE2-CG2 4.02Å; F450-I470 HydrophobicContact CZ-CB 3.98Å; F450-I470 HydrophobicContact CZ-CD1 4.02Å; F450-I470 HydrophobicContact CZ-CG2 3.65Å; F450-I476 HydrophobicContact CD1-CD1 4.1Å
451	Q	82.6	Confident	83.3	Confident	32 Å²	32	47.1 Å²	47.1	15%	0.15	26%	0.264	C	S	.	.	H	α-helix	trans	-55.9	-47.2	176.1	-172	-173.5	-91	0	0	111.9	F447 Q449 A453 I476 D478	F447-Q451 WeakPolarHBondContact O-CB 3.2Å; F447-Q451 PolarHBondContact O-N 3.46Å; Q449-Q451 VanDerWaalsContact C-N 3.34Å; Q449-Q451 PolarHBondContact O-N 2.73Å; Q451-A453 VanDerWaalsContact C-N 3.33Å; Q451-A453 PolarHBondContact O-N 3.02Å; Q451-I476 HydrophobicContact CB-CG2 3.59Å; Q451-I476 HydrophobicContact CG-CG2 3.57Å; Q451-D478 VanDerWaalsContact CD-CG 3.46Å; Q451-D478 HydrophobicContact CG-CB 3.7Å; Q451-D478 VanDerWaalsContact NE2-CG 3.29Å; Q451-D478 PolarHBondContact NE2-OD2 3.24Å
452	S	83.8	Confident	83.3	Confident	41 Å²	41	47.4 Å²	47.4	29%	0.287	27%	0.265	S	S	.	.	H	α-helix	trans	-69.2	-29.5	-177.6	-58.2	0	0	0	0	113.1	S448 Q449 F450 R456	S448-S452 WeakPolarHBondContact O-CB 3.37Å; S448-S452 PolarHBondContact O-N 2.93Å; S448-S452 VanDerWaalsContact O-N 3.14Å; S448-S452 PolarHBondContact O-OG 2.63Å; Q449-S452 PolarHBondContact O-N 2.87Å; Q449-S452 VanDerWaalsContact O-N 3.09Å; F450-S452 VanDerWaalsContact C-N 3.33Å; F450-S452 PolarHBondContact O-N 3.46Å; S452-R456 WeakPolarHBondContact O-CD 3.48Å; S452-R456 WeakPolarHBondContact O-CG 3.27Å
453	A	84.7	Confident	83.3	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-78.4	-45.9	177.8	0	0	0	0	0	112.7	V421 Y437 L438 Q449 F450 Q451 V455 R456 F457	V421-A453 HydrophobicContact CG1-CB 3.7Å; Y437-A453 HydrophobicContact CE1-CB 3.76Å; L438-A453 HydrophobicContact CD2-CB 4.23Å; Q449-A453 WeakPolarHBondContact O-CB 3.43Å; Q449-A453 PolarHBondContact O-N 3.48Å; F450-A453 PolarHBondContact O-N 2.96Å; Q451-A453 VanDerWaalsContact C-N 3.33Å; Q451-A453 PolarHBondContact O-N 3.02Å; A453-V455 PolarHBondContact O-N 2.97Å; A453-R456 PolarHBondContact O-N 3.11Å; A453-F457 HydrophobicContact CB-CD2 4.5Å; A453-F457 HydrophobicContact CB-CE2 4.04Å; A453-F457 VanDerWaalsContact O-CD2 3.24Å; A453-F457 WeakPolarHBondContact O-CD2 3.31Å; A453-F457 PolarHBondContact O-N 3.07Å; A453-F457 VanDerWaalsContact O-N 3.17Å
454	V	85.3	Confident	83.3	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-53.8	-42.3	-179.9	165.9	0	0	0	0	111.6	L438 F450 R456 L462 V467 Y482	L438-V454 HydrophobicContact CD1-CG2 4.14Å; L438-V454 HydrophobicContact CD2-CG2 3.83Å; F450-V454 HydrophobicContact CD1-CG2 4Å; F450-V454 HydrophobicContact CE1-CG2 3.69Å; F450-V454 HydrophobicContact CZ-CG2 4.12Å; F450-V454 WeakPolarHBondContact O-CG2 3.41Å; F450-V454 PolarHBondContact O-N 3.31Å; V454-R456 VanDerWaalsContact C-N 3.26Å; V454-R456 PolarHBondContact O-N 2.81Å; V454-L462 HydrophobicContact CG1-CD1 4.38Å; V454-V467 HydrophobicContact CG1-CG1 3.82Å; V454-V467 HydrophobicContact CG2-CG1 4.04Å; V454-Y482 HydrophobicContact CG1-CD1 4.15Å; V454-Y482 WeakPolarHBondContact O-CD1 3.39Å; V454-Y482 WeakPolarHBondContact O-CE1 3.39Å
455	V	83.1	Confident	83.3	Confident	18 Å²	18	50.6 Å²	50.6	11%	0.109	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.6	177.6	166.4	0	0	0	0	113.5	A453 D478 Y482 P536 F537	A453-V455 PolarHBondContact O-N 2.97Å; V455-D478 HydrophobicContact CG2-CB 4.42Å; V455-Y482 HydrophobicContact CG2-CG 4.33Å; V455-Y482 WeakPolarHBondContact O-CE2 3.38Å; V455-Y482 PolarHBondContact O-OH 3.19Å; V455-P536 HydrophobicContact CB-CG 4.37Å; V455-P536 HydrophobicContact CG1-CG 3.31Å; V455-P536 HydrophobicContact CG2-CG 4.09Å; V455-F537 HydrophobicContact CG1-CD2 4.35Å; V455-F537 HydrophobicContact CG1-CE2 4.35Å
456	R	82.4	Confident	83.4	Confident	113 Å²	113	50.9 Å²	50.9	43%	0.426	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-20	-173.8	-72.5	177.3	166.2	142.8	-15.2	113.2	V421 L422 S452 A453 V454	V421-R456 WeakPolarHBondContact O-CD 3.33Å; L422-R456 VanDerWaalsContact CD2-NH1 3.27Å; L422-R456 PolarHBondContact O-NE 3.08Å; L422-R456 PolarHBondContact O-NH1 3.31Å; L422-R456 PolarHBondContact O-NH2 3.31Å; S452-R456 WeakPolarHBondContact O-CD 3.48Å; S452-R456 WeakPolarHBondContact O-CG 3.27Å; A453-R456 PolarHBondContact O-N 3.11Å; V454-R456 VanDerWaalsContact C-N 3.26Å; V454-R456 PolarHBondContact O-N 2.81Å
457	F	84.5	Confident	83.4	Confident	7 Å²	7	47.2 Å²	47.2	3%	0.031	24%	0.242	C	C	.	.	S	Bend	trans	-78.7	142.5	173.9	-69.8	-57.3	0	0	0	112.1	V421 P429 V434 Y437 L438 A453 L462 Y482	V421-F457 HydrophobicContact CB-CZ 4.37Å; V421-F457 HydrophobicContact CG1-CE1 4.21Å; V421-F457 HydrophobicContact CG1-CE2 3.91Å; V421-F457 HydrophobicContact CG1-CZ 3.61Å; V421-F457 HydrophobicContact CG2-CE1 4.23Å; V421-F457 HydrophobicContact CG2-CZ 3.75Å; P429-F457 HydrophobicContact CG-CD1 3.69Å; P429-F457 HydrophobicContact CG-CE1 3.8Å; V434-F457 HydrophobicContact CG1-CD1 4.41Å; V434-F457 HydrophobicContact CG1-CD2 3.8Å; V434-F457 HydrophobicContact CG1-CE2 4Å; V434-F457 HydrophobicContact CG1-CG 4.01Å; V434-F457 HydrophobicContact CG1-CZ 4.39Å; V434-F457 HydrophobicContact CG2-CD1 4.03Å; V434-F457 HydrophobicContact CG2-CE1 4.01Å; V434-F457 HydrophobicContact CG2-CG 4.43Å; V434-F457 HydrophobicContact CG2-CZ 4.37Å; Y437-F457 AromaticContact CD1-CE2 3.86Å; Y437-F457 HydrophobicContact CD1-CE2 3.86Å; Y437-F457 AromaticContact CD1-CZ 3.95Å; Y437-F457 HydrophobicContact CD1-CZ 3.95Å; Y437-F457 AromaticContact CE1-CE2 3.96Å; Y437-F457 HydrophobicContact CE1-CE2 3.96Å; Y437-F457 HydrophobicContact CE1-CZ 4.1Å; L438-F457 HydrophobicContact CD2-CE2 4.37Å; A453-F457 HydrophobicContact CB-CD2 4.5Å; A453-F457 HydrophobicContact CB-CE2 4.04Å; A453-F457 VanDerWaalsContact O-CD2 3.24Å; A453-F457 WeakPolarHBondContact O-CD2 3.31Å; A453-F457 PolarHBondContact O-N 3.07Å; A453-F457 VanDerWaalsContact O-N 3.17Å; F457-L462 HydrophobicContact CB-CD1 4.36Å; F457-L462 HydrophobicContact CB-CD2 3.94Å; F457-L462 HydrophobicContact CB-CG 4.11Å; F457-L462 HydrophobicContact CD2-CD2 4.23Å; F457-L462 HydrophobicContact CG-CD2 4.46Å; F457-Y482 PolarHBondContact O-OH 2.75Å
458	P	81.8	Confident	83.5	Confident	38 Å²	38	45.3 Å²	45.3	25%	0.247	23%	0.234	C	C	.	.			trans	-59.3	141.8	170.3	-22	33.2	0	0	0	112	H460 T461	P458-H460 WeakPolarHBondContact CB-CE1 3.47Å; P458-H460 WeakPolarHBondContact CB-ND1 3.49Å; P458-H460 PolarHBondContact O-N 2.89Å; P458-H460 VanDerWaalsContact O-N 3.13Å; P458-T461 HydrophobicContact CB-CG2 4.34Å; P458-T461 PolarHBondContact O-N 3.33Å; P458-T461 PolarHBondContact O-OG1 2.83Å
459	I	81.7	Confident	83.6	Confident	49 Å²	49	43 Å²	43	25%	0.251	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-59.5	-31.6	-175.1	-66.2	92.2	0	0	0	112.4	T461 L462 L464 Y482 K486 A487	I459-T461 VanDerWaalsContact C-N 3.28Å; I459-T461 PolarHBondContact O-N 2.95Å; I459-L462 PolarHBondContact O-N 3.4Å; I459-L464 HydrophobicContact CG2-CD2 4.28Å; I459-Y482 HydrophobicContact CD1-CE1 4.27Å; I459-Y482 HydrophobicContact CD1-CE2 4.34Å; I459-Y482 WeakPolarHBondContact CD1-OH 3.42Å; I459-Y482 HydrophobicContact CG1-CE1 4.03Å; I459-K486 HydrophobicContact CD1-CB 3.52Å; I459-K486 HydrophobicContact CD1-CD 4.26Å; I459-K486 HydrophobicContact CD1-CG 3.9Å; I459-K486 HydrophobicContact CG1-CB 3.6Å; I459-K486 HydrophobicContact CG1-CG 4.43Å; I459-A487 HydrophobicContact CG2-CB 3.85Å
460	H	79.9	Confident	83.6	Confident	134 Å²	134	41.3 Å²	41.3	62%	0.62	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-75.3	-10.6	-179.7	66.9	-88.9	0	0	0	114.5	D428 P458	D428-H460 IonicContact OD1-CD2 3.08Å; D428-H460 IonicContact OD1-CE1 3.8Å; D428-H460 IonicContact OD1-NE2 2.92Å; D428-H460 PolarHBondContact OD1-NE2 3.34Å; P458-H460 WeakPolarHBondContact CB-CE1 3.47Å; P458-H460 WeakPolarHBondContact CB-ND1 3.49Å; P458-H460 PolarHBondContact O-N 2.89Å; P458-H460 VanDerWaalsContact O-N 3.13Å
461	T	84.5	Confident	83.6	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.012	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-97.5	-8.9	175.9	69.5	0	0	0	0	113.3	P429 P431 P458 I459	P429-T461 VanDerWaalsContact O-CG2 3.23Å; P429-T461 WeakPolarHBondContact O-CG2 3.45Å; P431-T461 WeakPolarHBondContact CA-O 3.3Å; P458-T461 HydrophobicContact CB-CG2 4.34Å; P458-T461 PolarHBondContact O-N 3.33Å; P458-T461 PolarHBondContact O-OG1 2.83Å; I459-T461 VanDerWaalsContact C-N 3.28Å; I459-T461 PolarHBondContact O-N 2.95Å
462	L	84.5	Confident	83.6	Confident	14 Å²	14	46.4 Å²	46.4	7%	0.073	23%	0.233	C	C	.	.	S	Bend	trans	-92.6	133.8	-177.8	-67.3	169.5	0	0	0	112.1	V434 L438 V454 F457 I459 L464 V467 Y482	V434-L462 HydrophobicContact CG1-CD2 3.75Å; L438-L462 HydrophobicContact CD1-CD2 3.59Å; V454-L462 HydrophobicContact CG1-CD1 4.38Å; F457-L462 HydrophobicContact CB-CD1 4.36Å; F457-L462 HydrophobicContact CB-CD2 3.94Å; F457-L462 HydrophobicContact CB-CG 4.11Å; F457-L462 HydrophobicContact CD2-CD2 4.23Å; F457-L462 HydrophobicContact CG-CD2 4.46Å; I459-L462 PolarHBondContact O-N 3.4Å; L462-L464 HydrophobicContact CB-CD2 4.4Å; L462-L464 PolarHBondContact O-N 2.92Å; L462-V467 HydrophobicContact CD2-CG2 4.34Å; L462-Y482 HydrophobicContact CD1-CE1 4.02Å
463	D	85.8	Confident	83.5	Confident	58 Å²	58	51.3 Å²	51.3	31%	0.31	25%	0.251	S	S	.	.			trans	-75.1	100.8	160.8	172.6	15.7	0	0	0	110.3	N435 H465 T466 V467	N435-D463 WeakPolarHBondContact OD1-CB 3.11Å; N435-D463 PolarHBondContact OD1-N 3.12Å; D463-H465 PolarHBondContact O-N 3.23Å; D463-H465 VanDerWaalsContact O-N 3.17Å; D463-H465 WeakPolarHBondContact OD1-CB 3.36Å; D463-H465 PolarHBondContact OD1-N 3.13Å; D463-T466 WeakPolarHBondContact CB-OG1 3.3Å; D463-T466 PolarHBondContact O-N 2.92Å; D463-T466 PolarHBondContact O-OG1 3.24Å; D463-T466 WeakPolarHBondContact OD2-CB 3.26Å; D463-T466 WeakPolarHBondContact OD2-CG2 3.47Å; D463-T466 PolarHBondContact OD2-OG1 3.2Å; D463-V467 WeakPolarHBondContact O-CB 3.17Å; D463-V467 VanDerWaalsContact O-CG2 3.31Å; D463-V467 WeakPolarHBondContact O-CG2 3.23Å; D463-V467 PolarHBondContact O-N 3.15Å; D463-V467 VanDerWaalsContact O-N 3.09Å
464	L	84.3	Confident	83.3	Confident	67 Å²	67	54.4 Å²	54.4	35%	0.351	27%	0.268	S	S	.	.	H	α-helix	trans	-58.4	-28.6	-178.4	-54.1	-178.1	0	0	0	113.2	I459 L462 M468 V483 A487	I459-L464 HydrophobicContact CG2-CD2 4.28Å; L462-L464 HydrophobicContact CB-CD2 4.4Å; L462-L464 PolarHBondContact O-N 2.92Å; L464-M468 WeakPolarHBondContact O-CB 3.15Å; L464-M468 WeakPolarHBondContact O-CG 3.47Å; L464-M468 PolarHBondContact O-N 3.27Å; L464-M468 VanDerWaalsContact O-N 3.09Å; L464-V483 HydrophobicContact CD2-CG1 4.19Å; L464-V483 HydrophobicContact CD2-CG2 4.49Å; L464-A487 HydrophobicContact CD1-CB 3.87Å; L464-A487 HydrophobicContact CD2-CB 4.26Å
465	H	84.2	Confident	83	Confident	147 Å²	147	57.5 Å²	57.5	68%	0.681	29%	0.289	S	S	*	.	H	α-helix	trans	-75.8	-49	-177.1	-176.6	-85.7	0	0	0	111.6	D463 S469	D463-H465 PolarHBondContact O-N 3.23Å; D463-H465 VanDerWaalsContact O-N 3.17Å; D463-H465 WeakPolarHBondContact OD1-CB 3.36Å; D463-H465 PolarHBondContact OD1-N 3.13Å; H465-S469 WeakPolarHBondContact O-CB 3.5Å; H465-S469 PolarHBondContact O-N 3.3Å
466	T	82.7	Confident	83	Confident	42 Å²	42	57 Å²	57	26%	0.258	29%	0.286	S	S	.	.	H	α-helix	trans	-66.7	-43.2	176.9	46.1	0	0	0	0	111.8	D463 M468 S469 I470	D463-T466 WeakPolarHBondContact CB-OG1 3.3Å; D463-T466 PolarHBondContact O-N 2.92Å; D463-T466 PolarHBondContact O-OG1 3.24Å; D463-T466 WeakPolarHBondContact OD2-CB 3.26Å; D463-T466 WeakPolarHBondContact OD2-CG2 3.47Å; D463-T466 PolarHBondContact OD2-OG1 3.2Å; T466-M468 PolarHBondContact O-N 3.3Å; T466-S469 PolarHBondContact O-N 3.02Å; T466-I470 WeakPolarHBondContact O-CG1 3.47Å; T466-I470 PolarHBondContact O-N 3.45Å
467	V	85.3	Confident	82.9	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-58.8	-49.9	176.4	173.9	0	0	0	0	111.3	L438 V454 L462 D463 S469 I470 C471 V483	L438-V467 HydrophobicContact CD1-CG2 3.97Å; V454-V467 HydrophobicContact CG1-CG1 3.82Å; V454-V467 HydrophobicContact CG2-CG1 4.04Å; L462-V467 HydrophobicContact CD2-CG2 4.34Å; D463-V467 WeakPolarHBondContact O-CB 3.17Å; D463-V467 VanDerWaalsContact O-CG2 3.31Å; D463-V467 WeakPolarHBondContact O-CG2 3.23Å; D463-V467 PolarHBondContact O-N 3.15Å; D463-V467 VanDerWaalsContact O-N 3.09Å; V467-S469 VanDerWaalsContact C-N 3.33Å; V467-S469 PolarHBondContact O-N 2.99Å; V467-I470 PolarHBondContact O-N 3.38Å; V467-C471 WeakPolarHBondContact O-CB 3.38Å; V467-C471 PolarHBondContact O-N 3.05Å; V467-C471 PolarHBondContact O-SG 3.2Å; V467-V483 HydrophobicContact CG1-CG2 4.11Å
468	M	83.1	Confident	82.8	Confident	29 Å²	29	53.5 Å²	53.5	14%	0.143	27%	0.274	C	S	.	.	H	α-helix	trans	-66.7	-32	180	-74.5	-69.1	-85.2	0	0	113.4	L464 T466 K472 V483 N484	L464-M468 WeakPolarHBondContact O-CB 3.15Å; L464-M468 WeakPolarHBondContact O-CG 3.47Å; L464-M468 PolarHBondContact O-N 3.27Å; L464-M468 VanDerWaalsContact O-N 3.09Å; T466-M468 PolarHBondContact O-N 3.3Å; M468-K472 WeakPolarHBondContact O-CB 3.4Å; M468-K472 VanDerWaalsContact O-CG 3.28Å; M468-K472 WeakPolarHBondContact O-CG 3.26Å; M468-K472 PolarHBondContact O-N 2.89Å; M468-K472 VanDerWaalsContact O-N 3.1Å; M468-V483 HydrophobicContact CE-CG1 4.44Å; M468-V483 HydrophobicContact CG-CB 4.3Å; M468-V483 HydrophobicContact CG-CG1 3.73Å; M468-V483 HydrophobicContact CG-CG2 4.5Å; M468-V483 HydrophobicContact SD-CB 3.78Å; M468-V483 HydrophobicContact SD-CG1 3.72Å; M468-V483 HydrophobicContact SD-CG2 4.29Å; M468-N484 VanDerWaalsContact CE-OD1 3.31Å; M468-N484 WeakPolarHBondContact CE-OD1 3.19Å
469	S	84.6	Confident	82.7	Confident	45 Å²	45	51.7 Å²	51.7	32%	0.315	26%	0.262	S	S	.	.	H	α-helix	trans	-65.2	-50.6	174.3	-170.1	0	0	0	0	111.2	H465 T466 V467 C471 K472 Q473	H465-S469 WeakPolarHBondContact O-CB 3.5Å; H465-S469 PolarHBondContact O-N 3.3Å; T466-S469 PolarHBondContact O-N 3.02Å; V467-S469 VanDerWaalsContact C-N 3.33Å; V467-S469 PolarHBondContact O-N 2.99Å; S469-C471 PolarHBondContact O-N 3.21Å; S469-K472 PolarHBondContact O-N 3.23Å; S469-Q473 WeakPolarHBondContact O-CB 3.49Å; S469-Q473 VanDerWaalsContact O-CG 3.28Å; S469-Q473 WeakPolarHBondContact O-CG 3.45Å; S469-Q473 PolarHBondContact O-N 3.02Å; S469-Q473 PolarHBondContact OG-NE2 3.27Å
470	I	82.5	Confident	82.8	Confident	29 Å²	29	49.8 Å²	49.8	15%	0.149	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-44.1	179.7	-65.5	164.5	0	0	0	110.8	A442 F450 T466 V467 K472 Q473 N474	A442-I470 HydrophobicContact CB-CD1 4.07Å; A442-I470 HydrophobicContact CB-CG2 4.25Å; F450-I470 HydrophobicContact CE1-CB 4.46Å; F450-I470 HydrophobicContact CE1-CG2 3.94Å; F450-I470 HydrophobicContact CE2-CD1 4.03Å; F450-I470 HydrophobicContact CE2-CG2 4.02Å; F450-I470 HydrophobicContact CZ-CB 3.98Å; F450-I470 HydrophobicContact CZ-CD1 4.02Å; F450-I470 HydrophobicContact CZ-CG2 3.65Å; T466-I470 WeakPolarHBondContact O-CG1 3.47Å; T466-I470 PolarHBondContact O-N 3.45Å; V467-I470 PolarHBondContact O-N 3.38Å; I470-K472 PolarHBondContact O-N 3.39Å; I470-Q473 PolarHBondContact O-N 3.05Å; I470-N474 PolarHBondContact O-N 3.21Å; I470-N474 PolarHBondContact O-ND2 3.38Å
471	C	85	Confident	83	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.4	-39.4	179.8	-69.4	0	0	0	0	112.9	V467 S469 S475 I476 I480	V467-C471 WeakPolarHBondContact O-CB 3.38Å; V467-C471 PolarHBondContact O-N 3.05Å; V467-C471 PolarHBondContact O-SG 3.2Å; S469-C471 PolarHBondContact O-N 3.21Å; C471-S475 PolarHBondContact O-N 2.79Å; C471-S475 VanDerWaalsContact O-N 3.15Å; C471-I476 HydrophobicContact CB-CB 4.04Å; C471-I476 PolarHBondContact O-N 3.29Å; C471-I480 HydrophobicContact CB-CD1 4.34Å; C471-I480 HydrophobicContact CB-CG1 3.73Å
472	K	82.6	Confident	82.9	Confident	140 Å²	140	44.5 Å²	44.5	61%	0.609	23%	0.227	S	C	*	.	H	α-helix	trans	-70.7	-35.4	177.4	-75.7	178.4	177.4	-177.1	0	113.1	M468 S469 I470 N474 I480	M468-K472 WeakPolarHBondContact O-CB 3.4Å; M468-K472 VanDerWaalsContact O-CG 3.28Å; M468-K472 WeakPolarHBondContact O-CG 3.26Å; M468-K472 PolarHBondContact O-N 2.89Å; M468-K472 VanDerWaalsContact O-N 3.1Å; S469-K472 PolarHBondContact O-N 3.23Å; I470-K472 PolarHBondContact O-N 3.39Å; K472-N474 VanDerWaalsContact C-N 3.28Å; K472-N474 PolarHBondContact O-N 3.42Å; K472-I480 HydrophobicContact CG-CD1 4.21Å
473	Q	81.8	Confident	82.9	Confident	143 Å²	143	44 Å²	44	67%	0.668	23%	0.225	S	C	*	.	H	α-helix	trans	-69.6	-25.1	178.7	-74.1	173	0.1	0	0	113.1	S469 I470	S469-Q473 WeakPolarHBondContact O-CB 3.49Å; S469-Q473 VanDerWaalsContact O-CG 3.28Å; S469-Q473 WeakPolarHBondContact O-CG 3.45Å; S469-Q473 PolarHBondContact O-N 3.02Å; S469-Q473 PolarHBondContact OG-NE2 3.27Å; I470-Q473 PolarHBondContact O-N 3.05Å
474	N	79.8	Confident	82.8	Confident	66 Å²	66	41.8 Å²	41.8	35%	0.353	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	18.6	-173.6	-57.7	-76.8	0	0	0	113.3	F447 I470 K472 I476	F447-N474 HydrophobicContact CD1-CB 4.28Å; F447-N474 HydrophobicContact CE1-CB 4.23Å; F447-N474 HydrophobicContact CZ-CB 4.47Å; F447-N474 WeakPolarHBondContact CZ-OD1 3.47Å; I470-N474 PolarHBondContact O-N 3.21Å; I470-N474 PolarHBondContact O-ND2 3.38Å; K472-N474 VanDerWaalsContact C-N 3.28Å; K472-N474 PolarHBondContact O-N 3.42Å; N474-I476 VanDerWaalsContact C-N 3.28Å; N474-I476 HydrophobicContact CB-CD1 3.97Å; N474-I476 HydrophobicContact CB-CG1 3.89Å; N474-I476 WeakPolarHBondContact O-CG1 3.45Å; N474-I476 PolarHBondContact O-N 3.17Å
475	S	79.3	Confident	82.8	Confident	65 Å²	65	38.8 Å²	38.8	46%	0.455	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	38	-178.7	-59.6	0	0	0	0	115.5	C471 Y477	C471-S475 PolarHBondContact O-N 2.79Å; C471-S475 VanDerWaalsContact O-N 3.15Å; S475-Y477 VanDerWaalsContact O-CD2 3.27Å; S475-Y477 WeakPolarHBondContact O-CD2 3.33Å; S475-Y477 PolarHBondContact O-N 3.05Å; S475-Y477 VanDerWaalsContact O-N 3.12Å
476	I	82.6	Confident	82.6	Confident	7 Å²	7	36.5 Å²	36.5	4%	0.036	19%	0.185	C	C	.	.			trans	-86	84.1	-176.1	-51.3	177.1	0	0	0	110.5	F447 F450 Q451 C471 N474 D478 G479 I480	F447-I476 HydrophobicContact CB-CD1 3.91Å; F447-I476 HydrophobicContact CD1-CD1 3.74Å; F447-I476 HydrophobicContact CG-CD1 4.15Å; F450-I476 HydrophobicContact CD1-CD1 4.1Å; Q451-I476 HydrophobicContact CB-CG2 3.59Å; Q451-I476 HydrophobicContact CG-CG2 3.57Å; C471-I476 HydrophobicContact CB-CB 4.04Å; C471-I476 PolarHBondContact O-N 3.29Å; N474-I476 VanDerWaalsContact C-N 3.28Å; N474-I476 HydrophobicContact CB-CD1 3.97Å; N474-I476 HydrophobicContact CB-CG1 3.89Å; N474-I476 WeakPolarHBondContact O-CG1 3.45Å; N474-I476 PolarHBondContact O-N 3.17Å; I476-D478 PolarHBondContact O-N 3.37Å; I476-G479 PolarHBondContact O-N 3.26Å; I476-I480 PolarHBondContact O-N 3.01Å
477	Y	80.8	Confident	82.4	Confident	27 Å²	27	36.3 Å²	36.3	11%	0.106	19%	0.188	C	C	.	.	H	α-helix	trans	-65.1	-37.5	-170.2	-79.2	-72.2	0	0	0	116.2	S475 G479 I480 I481 M498 E501 L518	S475-Y477 VanDerWaalsContact O-CD2 3.27Å; S475-Y477 WeakPolarHBondContact O-CD2 3.33Å; S475-Y477 PolarHBondContact O-N 3.05Å; S475-Y477 VanDerWaalsContact O-N 3.12Å; Y477-G479 PolarHBondContact O-N 3.44Å; Y477-I480 HydrophobicContact CD1-CD1 4.2Å; Y477-I480 HydrophobicContact CE1-CD1 4.34Å; Y477-I480 WeakPolarHBondContact O-CB 3.47Å; Y477-I480 PolarHBondContact O-N 3.39Å; Y477-I480 VanDerWaalsContact O-N 3.1Å; Y477-I481 WeakPolarHBondContact O-CB 3.38Å; Y477-I481 VanDerWaalsContact O-CG1 3.25Å; Y477-I481 WeakPolarHBondContact O-CG1 3.44Å; Y477-I481 PolarHBondContact O-N 2.99Å; Y477-M498 HydrophobicContact CD1-CG 3.3Å; Y477-M498 HydrophobicContact CD1-SD 3.89Å; Y477-M498 HydrophobicContact CD2-CG 4.43Å; Y477-M498 HydrophobicContact CE1-CG 3.44Å; Y477-M498 VanDerWaalsContact CE1-CG 3.44Å; Y477-M498 HydrophobicContact CG-CG 3.84Å; Y477-M498 HydrophobicContact CG-SD 4.01Å; Y477-E501 WeakPolarHBondContact CE2-OE2 3.26Å; Y477-E501 PolarHBondContact OH-OE2 3.42Å; Y477-L518 HydrophobicContact CD2-CD1 3.58Å; Y477-L518 HydrophobicContact CE2-CD1 3.66Å; Y477-L518 HydrophobicContact CE2-CD2 4.32Å; Y477-L518 HydrophobicContact CG-CD1 4.19Å
478	D	81.9	Confident	82.1	Confident	19 Å²	19	41.6 Å²	41.6	10%	0.102	22%	0.215	C	C	.	.	H	α-helix	trans	-67.8	-30.4	-175.2	-50.7	9.9	0	0	0	111.3	Q451 V455 I476 Y482 K521 Y535	Q451-D478 VanDerWaalsContact CD-CG 3.46Å; Q451-D478 HydrophobicContact CG-CB 3.7Å; Q451-D478 VanDerWaalsContact NE2-CG 3.29Å; Q451-D478 PolarHBondContact NE2-OD2 3.24Å; V455-D478 HydrophobicContact CG2-CB 4.42Å; I476-D478 PolarHBondContact O-N 3.37Å; D478-Y482 WeakPolarHBondContact O-CB 3.39Å; D478-Y482 PolarHBondContact O-N 3.14Å; D478-K521 WeakPolarHBondContact OD1-CD 3.47Å; D478-K521 WeakPolarHBondContact OD1-CE 3.21Å; D478-K521 IonicContact OD1-NZ 3.17Å; D478-K521 PolarHBondContact OD1-NZ 3.1Å; D478-K521 IonicContact OD2-NZ 2.67Å; D478-Y535 HydrophobicContact CB-CE1 4.17Å; D478-Y535 PolarHBondContact OD1-OH 3.5Å; D478-Y535 PolarHBondContact OD2-OH 2.63Å
479	G	79.8	Confident	82.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68	-43.4	171.8	0	0	0	0	0	112.2	I476 Y477 Y482 V483	I476-G479 PolarHBondContact O-N 3.26Å; Y477-G479 PolarHBondContact O-N 3.44Å; G479-Y482 PolarHBondContact O-N 3.49Å; G479-V483 WeakPolarHBondContact O-CG2 3.2Å; G479-V483 PolarHBondContact O-N 2.81Å
480	I	83.3	Confident	82.1	Confident	10 Å²	10	43.7 Å²	43.7	5%	0.051	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-46.6	174.5	-62.6	170.5	0	0	0	110.4	C471 K472 I476 Y477 N484	C471-I480 HydrophobicContact CB-CD1 4.34Å; C471-I480 HydrophobicContact CB-CG1 3.73Å; K472-I480 HydrophobicContact CG-CD1 4.21Å; I476-I480 PolarHBondContact O-N 3.01Å; Y477-I480 HydrophobicContact CD1-CD1 4.2Å; Y477-I480 HydrophobicContact CE1-CD1 4.34Å; Y477-I480 WeakPolarHBondContact O-CB 3.47Å; Y477-I480 PolarHBondContact O-N 3.39Å; Y477-I480 VanDerWaalsContact O-N 3.1Å; I480-N484 WeakPolarHBondContact CG2-ND2 3.42Å; I480-N484 VanDerWaalsContact O-CB 3.26Å; I480-N484 WeakPolarHBondContact O-CB 3.22Å; I480-N484 PolarHBondContact O-N 3.15Å; I480-N484 PolarHBondContact O-ND2 2.89Å
481	I	84.4	Confident	82.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-48.3	177.7	-67.2	162.5	0	0	0	110.3	Y477 N484 N485 P494 M498 Y525 Y535	Y477-I481 WeakPolarHBondContact O-CB 3.38Å; Y477-I481 VanDerWaalsContact O-CG1 3.25Å; Y477-I481 WeakPolarHBondContact O-CG1 3.44Å; Y477-I481 PolarHBondContact O-N 2.99Å; I481-N484 PolarHBondContact O-N 3.08Å; I481-N485 WeakPolarHBondContact CG2-ND2 3.43Å; I481-N485 WeakPolarHBondContact O-CB 3.35Å; I481-N485 PolarHBondContact O-N 2.88Å; I481-N485 PolarHBondContact O-ND2 3.36Å; I481-N485 PolarHBondContact O-OD1 3.34Å; I481-P494 HydrophobicContact CG1-CB 3.93Å; I481-M498 HydrophobicContact CD1-CE 3.87Å; I481-M498 HydrophobicContact CD1-SD 3.97Å; I481-M498 HydrophobicContact CG1-CE 4.32Å; I481-Y525 HydrophobicContact CD1-CD2 4.25Å; I481-Y525 HydrophobicContact CD1-CG 4.38Å; I481-Y525 HydrophobicContact CG1-CE2 4.47Å; I481-Y525 HydrophobicContact CG2-CD2 3.84Å; I481-Y525 HydrophobicContact CG2-CE2 3.29Å; I481-Y535 HydrophobicContact CB-CD1 4.29Å; I481-Y535 HydrophobicContact CB-CE1 4.47Å; I481-Y535 HydrophobicContact CD1-CD1 4.28Å; I481-Y535 HydrophobicContact CD1-CE1 3.92Å; I481-Y535 HydrophobicContact CG2-CD1 3.52Å; I481-Y535 HydrophobicContact CG2-CE1 4.15Å; I481-Y535 HydrophobicContact CG2-CG 4.31Å
482	Y	83.7	Confident	82.1	Confident	24 Å²	24	43.8 Å²	43.8	9%	0.094	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-48.5	-178.7	-178.1	-111.1	0	0	0	111.9	V454 V455 F457 I459 L462 D478 G479 K486	V454-Y482 HydrophobicContact CG1-CD1 4.15Å; V454-Y482 WeakPolarHBondContact O-CD1 3.39Å; V454-Y482 WeakPolarHBondContact O-CE1 3.39Å; V455-Y482 HydrophobicContact CG2-CG 4.33Å; V455-Y482 WeakPolarHBondContact O-CE2 3.38Å; V455-Y482 PolarHBondContact O-OH 3.19Å; F457-Y482 PolarHBondContact O-OH 2.75Å; I459-Y482 HydrophobicContact CD1-CE1 4.27Å; I459-Y482 HydrophobicContact CD1-CE2 4.34Å; I459-Y482 WeakPolarHBondContact CD1-OH 3.42Å; I459-Y482 HydrophobicContact CG1-CE1 4.03Å; L462-Y482 HydrophobicContact CD1-CE1 4.02Å; D478-Y482 WeakPolarHBondContact O-CB 3.39Å; D478-Y482 PolarHBondContact O-N 3.14Å; G479-Y482 PolarHBondContact O-N 3.49Å; Y482-K486 HydrophobicContact CD2-CG 4.11Å; Y482-K486 HydrophobicContact CE2-CG 3.96Å; Y482-K486 VanDerWaalsContact O-CB 3.29Å; Y482-K486 WeakPolarHBondContact O-CB 3.25Å; Y482-K486 PolarHBondContact O-N 3.36Å
483	V	83.8	Confident	82.2	Confident	5 Å²	5	39.5 Å²	39.5	3%	0.03	21%	0.209	C	C	.	.	H	α-helix	trans	-64.1	-46.8	177.8	173.7	0	0	0	0	111.3	L464 V467 M468 G479 A487 L488	L464-V483 HydrophobicContact CD2-CG1 4.19Å; L464-V483 HydrophobicContact CD2-CG2 4.49Å; V467-V483 HydrophobicContact CG1-CG2 4.11Å; M468-V483 HydrophobicContact CE-CG1 4.44Å; M468-V483 HydrophobicContact CG-CB 4.3Å; M468-V483 HydrophobicContact CG-CG1 3.73Å; M468-V483 HydrophobicContact CG-CG2 4.5Å; M468-V483 HydrophobicContact SD-CB 3.78Å; M468-V483 HydrophobicContact SD-CG1 3.72Å; M468-V483 HydrophobicContact SD-CG2 4.29Å; G479-V483 WeakPolarHBondContact O-CG2 3.2Å; G479-V483 PolarHBondContact O-N 2.81Å; V483-A487 HydrophobicContact CG1-CB 4.31Å; V483-A487 WeakPolarHBondContact O-CA 2.81Å; V483-A487 WeakPolarHBondContact O-CB 3.44Å; V483-A487 PolarHBondContact O-N 2.96Å; V483-L488 PolarHBondContact O-N 3.26Å
484	N	83.1	Confident	82.4	Confident	10 Å²	10	32.7 Å²	32.7	5%	0.053	18%	0.178	C	C	.	.	I	π-helix	trans	-64.3	-47.2	179.7	-69.4	-16.3	0	0	0	112	M468 I480 I481 K486 L488 N489 D490 P494	M468-N484 VanDerWaalsContact CE-OD1 3.31Å; M468-N484 WeakPolarHBondContact CE-OD1 3.19Å; I480-N484 WeakPolarHBondContact CG2-ND2 3.42Å; I480-N484 VanDerWaalsContact O-CB 3.26Å; I480-N484 WeakPolarHBondContact O-CB 3.22Å; I480-N484 PolarHBondContact O-N 3.15Å; I480-N484 PolarHBondContact O-ND2 2.89Å; I481-N484 PolarHBondContact O-N 3.08Å; N484-K486 PolarHBondContact O-N 3.48Å; N484-L488 CarbonylContact O-C 3.37Å; N484-L488 WeakPolarHBondContact O-CA 3.41Å; N484-L488 WeakPolarHBondContact O-CB 3.39Å; N484-L488 PolarHBondContact O-N 3.49Å; N484-N489 PolarHBondContact O-N 3.42Å; N484-D490 CarbonylContact C-O 3.59Å; N484-D490 WeakPolarHBondContact CB-O 3.33Å; N484-D490 PolarHBondContact O-N 2.99Å; N484-P494 HydrophobicContact CB-CG 4.2Å
485	N	84.5	Confident	82.6	Confident	5 Å²	5	29.6 Å²	29.6	3%	0.027	16%	0.161	C	C	.	.	I	π-helix	trans	-63.1	-43.7	180	-68.5	-5	0	0	0	112.3	I481 N489 Y491 Y525	I481-N485 WeakPolarHBondContact CG2-ND2 3.43Å; I481-N485 WeakPolarHBondContact O-CB 3.35Å; I481-N485 PolarHBondContact O-N 2.88Å; I481-N485 PolarHBondContact O-ND2 3.36Å; I481-N485 PolarHBondContact O-OD1 3.34Å; N485-N489 WeakPolarHBondContact O-CA 3.37Å; N485-Y491 HydrophobicContact CB-CD1 4.11Å; N485-Y491 HydrophobicContact CB-CE1 3.63Å; N485-Y491 VanDerWaalsContact CG-CD1 3.46Å; N485-Y491 VanDerWaalsContact CG-CE1 3.43Å; N485-Y491 PolarHBondContact O-OH 3.05Å; N485-Y491 WeakPolarHBondContact OD1-CD1 3.49Å; N485-Y525 PolarHBondContact OD1-OH 3.34Å
486	K	79.4	Confident	82.8	Confident	99 Å²	99	28.4 Å²	28.4	43%	0.43	15%	0.148	S	C	.	.	I	π-helix	trans	-98.3	-32	-169	-67.9	-72.5	-172.5	-178	0	114.8	I459 Y482 N484	I459-K486 HydrophobicContact CD1-CB 3.52Å; I459-K486 HydrophobicContact CD1-CD 4.26Å; I459-K486 HydrophobicContact CD1-CG 3.9Å; I459-K486 HydrophobicContact CG1-CB 3.6Å; I459-K486 HydrophobicContact CG1-CG 4.43Å; Y482-K486 HydrophobicContact CD2-CG 4.11Å; Y482-K486 HydrophobicContact CE2-CG 3.96Å; Y482-K486 VanDerWaalsContact O-CB 3.29Å; Y482-K486 WeakPolarHBondContact O-CB 3.25Å; Y482-K486 PolarHBondContact O-N 3.36Å; N484-K486 PolarHBondContact O-N 3.48Å
487	A	79.3	Confident	82.9	Confident	38 Å²	38	31.7 Å²	31.7	31%	0.314	17%	0.166	S	C	.	.	I	π-helix	trans	-96	-35.4	178.6	0	0	0	0	0	112.6	I459 L464 V483	I459-A487 HydrophobicContact CG2-CB 3.85Å; L464-A487 HydrophobicContact CD1-CB 3.87Å; L464-A487 HydrophobicContact CD2-CB 4.26Å; V483-A487 HydrophobicContact CG1-CB 4.31Å; V483-A487 WeakPolarHBondContact O-CA 2.81Å; V483-A487 WeakPolarHBondContact O-CB 3.44Å; V483-A487 PolarHBondContact O-N 2.96Å
488	L	79.3	Confident	83.1	Confident	112 Å²	112	30.4 Å²	30.4	59%	0.586	16%	0.161	S	C	*	.	I	π-helix	trans	-105.1	-10.1	-177.5	-55.4	179.9	0	0	0	114	V483 N484 D490	V483-L488 PolarHBondContact O-N 3.26Å; N484-L488 CarbonylContact O-C 3.37Å; N484-L488 WeakPolarHBondContact O-CA 3.41Å; N484-L488 WeakPolarHBondContact O-CB 3.39Å; N484-L488 PolarHBondContact O-N 3.49Å; L488-D490 HydrophobicContact CB-CB 4.49Å; L488-D490 PolarHBondContact O-N 3.37Å
489	N	82.3	Confident	83.2	Confident	69 Å²	69	29.6 Å²	29.6	37%	0.369	16%	0.157	S	C	.	.			trans	55.2	31.6	-173.9	-158.8	41.9	0	0	0	113.7	N484 N485 N544 R547	N484-N489 PolarHBondContact O-N 3.42Å; N485-N489 WeakPolarHBondContact O-CA 3.37Å; N489-N544 PolarHBondContact ND2-OD1 3.43Å; N489-N544 PolarHBondContact OD1-ND2 2.99Å; N489-N544 PolarHBondContact OD1-OD1 2.91Å; N489-R547 PolarHBondContact O-NH2 3.12Å
490	D	85.6	Confident	83.3	Confident	49 Å²	49	32.5 Å²	32.5	26%	0.262	18%	0.18	S	C	.	.			trans	-114.8	116.8	-178.7	-175.9	-5.9	0	0	0	111	N484 L488 I492 T493	N484-D490 CarbonylContact C-O 3.59Å; N484-D490 WeakPolarHBondContact CB-O 3.33Å; N484-D490 PolarHBondContact O-N 2.99Å; L488-D490 HydrophobicContact CB-CB 4.49Å; L488-D490 PolarHBondContact O-N 3.37Å; D490-I492 PolarHBondContact OD1-N 3.5Å; D490-T493 PolarHBondContact OD1-N 2.86Å; D490-T493 WeakPolarHBondContact OD2-CB 3.17Å; D490-T493 PolarHBondContact OD2-OG1 3.4Å
491	Y	83.6	Confident	83.2	Confident	8 Å²	8	35.1 Å²	35.1	3%	0.031	19%	0.192	C	C	.	.	S	Bend	trans	-106.8	-5.5	-177.5	-61.1	-101.1	0	0	0	112.7	N485 Y525 L540 V548	N485-Y491 HydrophobicContact CB-CD1 4.11Å; N485-Y491 HydrophobicContact CB-CE1 3.63Å; N485-Y491 VanDerWaalsContact CG-CD1 3.46Å; N485-Y491 VanDerWaalsContact CG-CE1 3.43Å; N485-Y491 PolarHBondContact O-OH 3.05Å; N485-Y491 WeakPolarHBondContact OD1-CD1 3.49Å; Y491-Y525 WeakPolarHBondContact CA-OH 3.16Å; Y491-Y525 PolarHBondContact O-OH 3.34Å; Y491-Y525 VanDerWaalsContact O-OH 3.12Å; Y491-L540 HydrophobicContact CE1-CD2 3.83Å; Y491-L540 WeakPolarHBondContact OH-CD2 3.2Å; Y491-V548 HydrophobicContact CD1-CG1 4.03Å; Y491-V548 HydrophobicContact CD1-CG2 4.14Å; Y491-V548 HydrophobicContact CD2-CG2 3.49Å; Y491-V548 VanDerWaalsContact CD2-CG2 3.49Å; Y491-V548 HydrophobicContact CE1-CG2 4.35Å; Y491-V548 HydrophobicContact CE2-CG2 3.74Å; Y491-V548 HydrophobicContact CG-CG1 3.94Å; Y491-V548 HydrophobicContact CG-CG2 3.73Å
492	I	84.4	Confident	83.1	Confident	23 Å²	23	35.1 Å²	35.1	12%	0.118	19%	0.192	C	C	.	.	S	Bend	trans	-101.8	-44.2	-174	-56.4	-57.5	0	0	0	110.9	D490 L495 E496 E551 C555	D490-I492 PolarHBondContact OD1-N 3.5Å; I492-L495 WeakPolarHBondContact O-CB 3.4Å; I492-L495 PolarHBondContact O-N 3.24Å; I492-E496 HydrophobicContact CG2-CG 4.04Å; I492-E496 PolarHBondContact O-N 2.77Å; I492-E551 HydrophobicContact CD1-CB 3.83Å; I492-E551 HydrophobicContact CG1-CB 4.02Å; I492-C555 HydrophobicContact CG2-CB 4.46Å
493	T	84.3	Confident	82.8	Confident	51 Å²	51	39.2 Å²	39.2	31%	0.313	21%	0.208	S	C	.	.	H	α-helix	trans	-54.1	-44.2	174.6	-61	0	0	0	0	114	D490 L495 N497	D490-T493 PolarHBondContact OD1-N 2.86Å; D490-T493 WeakPolarHBondContact OD2-CB 3.17Å; D490-T493 PolarHBondContact OD2-OG1 3.4Å; T493-L495 VanDerWaalsContact C-N 3.33Å; T493-L495 PolarHBondContact O-N 3.18Å; T493-N497 VanDerWaalsContact O-CG 3.23Å; T493-N497 PolarHBondContact O-N 3.49Å; T493-N497 PolarHBondContact O-ND2 3.39Å
494	P	85.2	Confident	82.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.9	-35.7	174.3	23.7	-33.1	0	0	0	113.2	I481 N484 M498 Y525	I481-P494 HydrophobicContact CG1-CB 3.93Å; N484-P494 HydrophobicContact CB-CG 4.2Å; P494-M498 WeakPolarHBondContact O-CG 3.39Å; P494-M498 PolarHBondContact O-N 3.46Å; P494-Y525 HydrophobicContact CG-CE1 4.39Å
495	L	85.2	Confident	82.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-68.3	-46.6	177.5	178.8	62.1	0	0	0	111.9	I492 T493 N497 M498 L499 V522 Y525 L526 T552	I492-L495 WeakPolarHBondContact O-CB 3.4Å; I492-L495 PolarHBondContact O-N 3.24Å; T493-L495 VanDerWaalsContact C-N 3.33Å; T493-L495 PolarHBondContact O-N 3.18Å; L495-N497 VanDerWaalsContact C-N 3.3Å; L495-N497 PolarHBondContact O-N 2.94Å; L495-M498 PolarHBondContact O-N 3.16Å; L495-L499 HydrophobicContact CD1-CD1 3.86Å; L495-L499 HydrophobicContact CD1-CG 4.05Å; L495-L499 HydrophobicContact CD2-CD1 4.46Å; L495-L499 HydrophobicContact CG-CD1 3.75Å; L495-L499 HydrophobicContact CG-CG 4.36Å; L495-L499 WeakPolarHBondContact O-CB 3.47Å; L495-L499 VanDerWaalsContact O-CG 3.32Å; L495-L499 WeakPolarHBondContact O-CG 3.23Å; L495-L499 PolarHBondContact O-N 3.32Å; L495-V522 HydrophobicContact CD1-CG1 4.33Å; L495-Y525 HydrophobicContact CB-CD1 4.36Å; L495-Y525 HydrophobicContact CB-CE1 4.04Å; L495-Y525 HydrophobicContact CD1-CD1 4.28Å; L495-L526 HydrophobicContact CD1-CD2 3.61Å; L495-L526 HydrophobicContact CD1-CG 4Å; L495-L526 HydrophobicContact CD2-CD2 3.62Å; L495-L526 HydrophobicContact CG-CD2 4.27Å; L495-T552 HydrophobicContact CD2-CG2 4.11Å
496	E	83.6	Confident	81.6	Confident	40 Å²	40	43.2 Å²	43.2	19%	0.187	23%	0.233	C	C	.	.	H	α-helix	trans	-56.7	-44.4	176.8	-73.5	178.5	174.2	0	0	111.1	I492 L499 A500 K562	I492-E496 HydrophobicContact CG2-CG 4.04Å; I492-E496 PolarHBondContact O-N 2.77Å; E496-L499 PolarHBondContact O-N 2.86Å; E496-A500 WeakPolarHBondContact O-CB 3.34Å; E496-A500 PolarHBondContact O-N 3.08Å; E496-K562 IonicContact OE1-NZ 3.34Å; E496-K562 PolarHBondContact OE1-NZ 3.43Å; E496-K562 IonicContact OE2-NZ 3.81Å; E496-K562 PolarHBondContact OE2-NZ 2.84Å
497	N	84	Confident	81	Confident	77 Å²	77	45 Å²	45	41%	0.412	24%	0.243	S	C	.	.	H	α-helix	trans	-62.8	-45.6	178.1	-68.7	-30.8	0	0	0	112.4	T493 L495 A500 E501	T493-N497 VanDerWaalsContact O-CG 3.23Å; T493-N497 PolarHBondContact O-N 3.49Å; T493-N497 PolarHBondContact O-ND2 3.39Å; L495-N497 VanDerWaalsContact C-N 3.3Å; L495-N497 PolarHBondContact O-N 2.94Å; N497-A500 PolarHBondContact O-N 3.15Å; N497-E501 PolarHBondContact O-N 3.46Å
498	M	84.6	Confident	80.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.3	-39.4	177.9	-68.4	-175.4	-67.7	0	0	112.2	Y477 I481 P494 L495 A500 E501 M502 L518 V522 Y525	Y477-M498 HydrophobicContact CD1-CG 3.3Å; Y477-M498 HydrophobicContact CD1-SD 3.89Å; Y477-M498 HydrophobicContact CD2-CG 4.43Å; Y477-M498 HydrophobicContact CE1-CG 3.44Å; Y477-M498 VanDerWaalsContact CE1-CG 3.44Å; Y477-M498 HydrophobicContact CG-CG 3.84Å; Y477-M498 HydrophobicContact CG-SD 4.01Å; I481-M498 HydrophobicContact CD1-CE 3.87Å; I481-M498 HydrophobicContact CD1-SD 3.97Å; I481-M498 HydrophobicContact CG1-CE 4.32Å; P494-M498 WeakPolarHBondContact O-CG 3.39Å; P494-M498 PolarHBondContact O-N 3.46Å; L495-M498 PolarHBondContact O-N 3.16Å; M498-A500 VanDerWaalsContact C-N 3.34Å; M498-E501 PolarHBondContact O-N 2.98Å; M498-M502 VanDerWaalsContact O-CB 3.26Å; M498-M502 WeakPolarHBondContact O-CB 3.36Å; M498-M502 PolarHBondContact O-N 3.3Å; M498-L518 HydrophobicContact CB-CD1 4.1Å; M498-L518 HydrophobicContact CG-CD1 3.89Å; M498-L518 HydrophobicContact SD-CD1 4.18Å; M498-V522 HydrophobicContact CB-CG2 3.54Å; M498-V522 HydrophobicContact CE-CG2 4.42Å; M498-V522 HydrophobicContact CG-CG2 4.37Å; M498-V522 HydrophobicContact SD-CG2 4.11Å; M498-Y525 HydrophobicContact CE-CD1 3.69Å; M498-Y525 HydrophobicContact CE-CE1 4.29Å; M498-Y525 HydrophobicContact CE-CG 4.19Å
499	L	83.3	Confident	79.8	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-66.4	-35.2	176.8	-71.2	169.8	0	0	0	112	L495 E496 M502 R503 V522 Y573 L576 L577	L495-L499 HydrophobicContact CD1-CD1 3.86Å; L495-L499 HydrophobicContact CD1-CG 4.05Å; L495-L499 HydrophobicContact CD2-CD1 4.46Å; L495-L499 HydrophobicContact CG-CD1 3.75Å; L495-L499 HydrophobicContact CG-CG 4.36Å; L495-L499 WeakPolarHBondContact O-CB 3.47Å; L495-L499 VanDerWaalsContact O-CG 3.32Å; L495-L499 WeakPolarHBondContact O-CG 3.23Å; L495-L499 PolarHBondContact O-N 3.32Å; E496-L499 PolarHBondContact O-N 2.86Å; L499-M502 HydrophobicContact CD2-SD 4.25Å; L499-M502 PolarHBondContact O-N 2.99Å; L499-R503 PolarHBondContact O-N 3.47Å; L499-R503 VanDerWaalsContact O-N 3.07Å; L499-V522 HydrophobicContact CD2-CG1 3.88Å; L499-Y573 HydrophobicContact CB-CD1 4.07Å; L499-Y573 HydrophobicContact CB-CE1 4.05Å; L499-Y573 HydrophobicContact CD1-CD1 3.73Å; L499-Y573 HydrophobicContact CD1-CE1 4.11Å; L499-Y573 HydrophobicContact CD1-CG 4.21Å; L499-Y573 HydrophobicContact CG-CD1 4.35Å; L499-L576 HydrophobicContact CD2-CD2 4.2Å; L499-L577 HydrophobicContact CD2-CD2 4.27Å
500	A	82.4	Confident	78.9	Confident	60 Å²	60	56.5 Å²	56.5	50%	0.496	29%	0.287	S	S	.	.	H	α-helix	trans	-65	-42.8	174.8	0	0	0	0	0	112.3	E496 N497 M498	E496-A500 WeakPolarHBondContact O-CB 3.34Å; E496-A500 PolarHBondContact O-N 3.08Å; N497-A500 PolarHBondContact O-N 3.15Å; M498-A500 VanDerWaalsContact C-N 3.34Å
501	E	81	Confident	78.5	Confident	66 Å²	66	57.5 Å²	57.5	31%	0.308	29%	0.289	S	S	.	.	H	α-helix	trans	-67.8	-42.8	173.8	-173.5	171.2	-156.8	0	0	111.4	Y477 N497 M498 R503 T504 L518	Y477-E501 WeakPolarHBondContact CE2-OE2 3.26Å; Y477-E501 PolarHBondContact OH-OE2 3.42Å; N497-E501 PolarHBondContact O-N 3.46Å; M498-E501 PolarHBondContact O-N 2.98Å; E501-R503 VanDerWaalsContact C-N 3.25Å; E501-R503 PolarHBondContact O-N 2.9Å; E501-T504 WeakPolarHBondContact O-CB 3.18Å; E501-T504 WeakPolarHBondContact O-CG2 3.13Å; E501-T504 PolarHBondContact O-N 3.07Å; E501-T504 PolarHBondContact O-OG1 3.26Å; E501-L518 HydrophobicContact CB-CD2 3.99Å; E501-L518 HydrophobicContact CG-CD2 3.72Å; E501-L518 WeakPolarHBondContact OE2-CD2 3.43Å
502	M	81.9	Confident	78.2	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-55.6	-37.3	177.2	-171.5	179.7	-175.2	0	0	113.2	M498 L499 T504 F505 A506 V522 L576 L577 Y580	M498-M502 VanDerWaalsContact O-CB 3.26Å; M498-M502 WeakPolarHBondContact O-CB 3.36Å; M498-M502 PolarHBondContact O-N 3.3Å; L499-M502 HydrophobicContact CD2-SD 4.25Å; L499-M502 PolarHBondContact O-N 2.99Å; M502-T504 PolarHBondContact O-N 2.96Å; M502-F505 HydrophobicContact CB-CE1 4.5Å; M502-F505 HydrophobicContact CB-CZ 4.2Å; M502-F505 HydrophobicContact CG-CE2 4.21Å; M502-F505 HydrophobicContact CG-CZ 4.06Å; M502-F505 PolarHBondContact O-N 3.32Å; M502-A506 WeakPolarHBondContact O-CB 3.26Å; M502-A506 PolarHBondContact O-N 2.79Å; M502-V522 HydrophobicContact SD-CB 4.45Å; M502-V522 HydrophobicContact SD-CG1 4.25Å; M502-V522 HydrophobicContact SD-CG2 4.43Å; M502-L576 HydrophobicContact CB-CD2 4.42Å; M502-L576 HydrophobicContact CG-CD2 4.42Å; M502-L576 HydrophobicContact SD-CD2 4.44Å; M502-L577 HydrophobicContact CE-CD2 4.24Å; M502-L577 HydrophobicContact SD-CD2 4.33Å; M502-Y580 VanDerWaalsContact CE-CB 3.44Å; M502-Y580 HydrophobicContact CE-CD1 3.3Å; M502-Y580 HydrophobicContact CE-CD2 3.78Å; M502-Y580 HydrophobicContact CE-CE1 3.98Å; M502-Y580 HydrophobicContact CE-CE2 4.38Å; M502-Y580 HydrophobicContact CE-CG 3.19Å
503	R	79.1	Confident	77.6	Confident	109 Å²	109	64.7 Å²	64.7	41%	0.411	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.3	176.2	-170.9	177.1	179.5	-172.2	2.3	113.5	L499 E501 F505 E561 L576	L499-R503 PolarHBondContact O-N 3.47Å; L499-R503 VanDerWaalsContact O-N 3.07Å; E501-R503 VanDerWaalsContact C-N 3.25Å; E501-R503 PolarHBondContact O-N 2.9Å; R503-F505 VanDerWaalsContact C-N 3.31Å; R503-F505 PolarHBondContact O-N 3.36Å; R503-E561 IonicContact CZ-OE1 2.68Å; R503-E561 IonicContact CZ-OE2 3.69Å; R503-E561 IonicContact NH1-OE1 3.22Å; R503-E561 PolarHBondContact NH1-OE1 3.15Å; R503-E561 IonicContact NH1-OE2 3.95Å; R503-E561 PolarHBondContact NH1-OE2 2.59Å; R503-E561 IonicContact NH2-OE2 2.83Å; R503-L576 HydrophobicContact CB-CD1 4.31Å; R503-L576 HydrophobicContact CB-CD2 4.29Å
504	T	79	Confident	77.1	Confident	95 Å²	95	66.6 Å²	66.6	58%	0.583	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-22.1	-178.2	70	0	0	0	0	113.8	E501 M502	E501-T504 WeakPolarHBondContact O-CB 3.18Å; E501-T504 WeakPolarHBondContact O-CG2 3.13Å; E501-T504 PolarHBondContact O-N 3.07Å; E501-T504 PolarHBondContact O-OG1 3.26Å; M502-T504 PolarHBondContact O-N 2.96Å
505	F	77.9	Confident	76.9	Confident	3 Å²	3	68.3 Å²	68.3	1%	0.013	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-16.7	-176.4	61.6	-102.2	0	0	0	115.3	M502 R503 H507 R508 F511 E515 L518 Y580	M502-F505 HydrophobicContact CB-CE1 4.5Å; M502-F505 HydrophobicContact CB-CZ 4.2Å; M502-F505 HydrophobicContact CG-CE2 4.21Å; M502-F505 HydrophobicContact CG-CZ 4.06Å; M502-F505 PolarHBondContact O-N 3.32Å; R503-F505 VanDerWaalsContact C-N 3.31Å; R503-F505 PolarHBondContact O-N 3.36Å; F505-H507 PolarHBondContact O-N 3.22Å; F505-R508 WeakPolarHBondContact O-CB 3.46Å; F505-R508 PolarHBondContact O-N 2.99Å; F505-F511 AromaticContact CD2-CD1 3.75Å; F505-F511 HydrophobicContact CD2-CD1 3.75Å; F505-F511 AromaticContact CD2-CE1 3.96Å; F505-F511 HydrophobicContact CD2-CE1 3.96Å; F505-F511 HydrophobicContact CE2-CD1 4.38Å; F505-E515 HydrophobicContact CB-CG 4.26Å; F505-E515 VanDerWaalsContact CB-OE1 3.27Å; F505-E515 WeakPolarHBondContact CB-OE1 3.29Å; F505-E515 HydrophobicContact CD1-CB 4.05Å; F505-E515 HydrophobicContact CD1-CG 3.63Å; F505-E515 HydrophobicContact CD2-CB 3.9Å; F505-E515 HydrophobicContact CD2-CG 4.25Å; F505-E515 HydrophobicContact CE1-CB 3.97Å; F505-E515 HydrophobicContact CE1-CG 3.87Å; F505-E515 HydrophobicContact CE2-CB 3.84Å; F505-E515 HydrophobicContact CE2-CG 4.48Å; F505-E515 HydrophobicContact CG-CB 4Å; F505-E515 HydrophobicContact CG-CG 3.81Å; F505-E515 HydrophobicContact CZ-CB 3.85Å; F505-E515 HydrophobicContact CZ-CG 4.29Å; F505-E515 WeakPolarHBondContact CZ-O 3.48Å; F505-L518 HydrophobicContact CE1-CD2 4.03Å; F505-L518 HydrophobicContact CZ-CD2 4.25Å; F505-Y580 HydrophobicContact CE2-CD2 4.34Å; F505-Y580 AromaticContact CE2-CE2 3.96Å; F505-Y580 HydrophobicContact CE2-CE2 3.96Å
506	A	68.8	Low	76.7	Confident	7 Å²	7	72.8 Å²	72.8	6%	0.058	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	3.8	-177.7	0	0	0	0	0	116.4	M502 L576	M502-A506 WeakPolarHBondContact O-CB 3.26Å; M502-A506 PolarHBondContact O-N 2.79Å; A506-L576 HydrophobicContact CB-CD1 3.37Å
507	H	66.8	Low	76.5	Confident	135 Å²	135	75.4 Å²	75.4	63%	0.625	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	5.3	171.3	-64.7	-54	0	0	0	113.6	F505	F505-H507 PolarHBondContact O-N 3.22Å
508	R	71.3	Confident	76.5	Confident	129 Å²	129	72.2 Å²	72.2	49%	0.487	37%	0.374	S	S	.	.			trans	-101.8	138.1	179.2	-59.8	178	-174.4	155.9	6.8	110.3	F505 M510 F511 E515	F505-R508 WeakPolarHBondContact O-CB 3.46Å; F505-R508 PolarHBondContact O-N 2.99Å; R508-M510 PolarHBondContact O-N 3.48Å; R508-F511 VanDerWaalsContact O-CE1 3.23Å; R508-F511 WeakPolarHBondContact O-CE1 3.37Å; R508-F511 WeakPolarHBondContact O-CZ 3.38Å; R508-E515 IonicContact CZ-OE1 3.27Å; R508-E515 IonicContact NH1-OE1 3.08Å; R508-E515 PolarHBondContact NH1-OE1 2.95Å
509	D	60.6	Low	76.4	Confident	167 Å²	167	72.2 Å²	72.2	89%	0.893	37%	0.374	S	S	*	.	S	Bend	trans	-75.9	-10.4	176	-50.8	-46.7	0	0	0	113.1
510	M	65.1	Low	76.5	Confident	165 Å²	165	75.3 Å²	75.3	81%	0.813	39%	0.391	S	S	*	.			trans	-128.5	125.1	175.2	-63.4	-171.3	75.2	0	0	110.2	R508	R508-M510 PolarHBondContact O-N 3.48Å
511	F	76.1	Confident	76.6	Confident	70 Å²	70	74.2 Å²	74.2	31%	0.307	38%	0.375	S	S	.	.			trans	-103.1	147.4	174.4	-50.9	-61	0	0	0	110.3	F505 R508 E515 Q516 Y580	F505-F511 AromaticContact CD2-CD1 3.75Å; F505-F511 HydrophobicContact CD2-CD1 3.75Å; F505-F511 AromaticContact CD2-CE1 3.96Å; F505-F511 HydrophobicContact CD2-CE1 3.96Å; F505-F511 HydrophobicContact CE2-CD1 4.38Å; R508-F511 VanDerWaalsContact O-CE1 3.23Å; R508-F511 WeakPolarHBondContact O-CE1 3.37Å; R508-F511 WeakPolarHBondContact O-CZ 3.38Å; F511-E515 HydrophobicContact CB-CB 4.29Å; F511-Q516 HydrophobicContact CB-CB 4.46Å; F511-Y580 HydrophobicContact CD1-CE2 4.31Å; F511-Y580 HydrophobicContact CD2-CE2 4.1Å; F511-Y580 HydrophobicContact CE1-CD2 4.03Å; F511-Y580 HydrophobicContact CE1-CE2 4.03Å; F511-Y580 HydrophobicContact CE2-CD2 4.07Å; F511-Y580 AromaticContact CE2-CE2 3.8Å; F511-Y580 HydrophobicContact CE2-CE2 3.8Å; F511-Y580 HydrophobicContact CG-CE2 4.35Å; F511-Y580 AromaticContact CZ-CD2 3.66Å; F511-Y580 HydrophobicContact CZ-CD2 3.66Å; F511-Y580 AromaticContact CZ-CE2 3.77Å; F511-Y580 HydrophobicContact CZ-CE2 3.77Å
512	S	77	Confident	76.9	Confident	54 Å²	54	71.1 Å²	71.1	38%	0.378	36%	0.36	S	S	.	.			trans	-76.6	158.6	163.3	61.8	0	0	0	0	111.4	S514 E515 Q516	S512-S514 PolarHBondContact O-N 3.29Å; S512-S514 VanDerWaalsContact O-N 3.15Å; S512-E515 WeakPolarHBondContact CB-OE2 3.15Å; S512-E515 PolarHBondContact N-OE2 2.95Å; S512-E515 PolarHBondContact O-N 3.07Å; S512-E515 VanDerWaalsContact OG-CG 3.26Å; S512-E515 WeakPolarHBondContact OG-CG 3.33Å; S512-E515 PolarHBondContact OG-OE2 3.39Å; S512-Q516 PolarHBondContact O-N 2.88Å
513	D	73.1	Confident	77.2	Confident	128 Å²	128	71.5 Å²	71.5	68%	0.684	36%	0.362	S	S	*	.	H	α-helix	trans	-51.8	-40.2	178.6	-60.4	-16.1	0	0	0	112.3	Q516 I517	D513-Q516 PolarHBondContact O-N 3.32Å; D513-I517 WeakPolarHBondContact O-CB 3.32Å; D513-I517 WeakPolarHBondContact O-CD1 3.25Å; D513-I517 WeakPolarHBondContact O-CG1 3.49Å; D513-I517 PolarHBondContact O-N 2.7Å
514	S	73.2	Confident	77.6	Confident	92 Å²	92	70 Å²	70	64%	0.643	37%	0.365	S	S	*	.	H	α-helix	trans	-66.7	-42.7	177.7	-58.5	0	0	0	0	113.2	S512 I517 L518	S512-S514 PolarHBondContact O-N 3.29Å; S512-S514 VanDerWaalsContact O-N 3.15Å; S514-I517 PolarHBondContact O-N 3.13Å; S514-L518 PolarHBondContact O-N 3.47Å
515	E	79.9	Confident	78	Confident	36 Å²	36	65.5 Å²	65.5	17%	0.168	34%	0.337	C	S	.	.	H	α-helix	trans	-65.8	-39.3	176.4	-70.1	164.3	143.4	0	0	110.6	F505 R508 F511 S512 L518 G519	F505-E515 HydrophobicContact CB-CG 4.26Å; F505-E515 VanDerWaalsContact CB-OE1 3.27Å; F505-E515 WeakPolarHBondContact CB-OE1 3.29Å; F505-E515 HydrophobicContact CD1-CB 4.05Å; F505-E515 HydrophobicContact CD1-CG 3.63Å; F505-E515 HydrophobicContact CD2-CB 3.9Å; F505-E515 HydrophobicContact CD2-CG 4.25Å; F505-E515 HydrophobicContact CE1-CB 3.97Å; F505-E515 HydrophobicContact CE1-CG 3.87Å; F505-E515 HydrophobicContact CE2-CB 3.84Å; F505-E515 HydrophobicContact CE2-CG 4.48Å; F505-E515 HydrophobicContact CG-CB 4Å; F505-E515 HydrophobicContact CG-CG 3.81Å; F505-E515 HydrophobicContact CZ-CB 3.85Å; F505-E515 HydrophobicContact CZ-CG 4.29Å; F505-E515 WeakPolarHBondContact CZ-O 3.48Å; R508-E515 IonicContact CZ-OE1 3.27Å; R508-E515 IonicContact NH1-OE1 3.08Å; R508-E515 PolarHBondContact NH1-OE1 2.95Å; F511-E515 HydrophobicContact CB-CB 4.29Å; S512-E515 WeakPolarHBondContact CB-OE2 3.15Å; S512-E515 PolarHBondContact N-OE2 2.95Å; S512-E515 PolarHBondContact O-N 3.07Å; S512-E515 VanDerWaalsContact OG-CG 3.26Å; S512-E515 WeakPolarHBondContact OG-CG 3.33Å; S512-E515 PolarHBondContact OG-OE2 3.39Å; E515-L518 PolarHBondContact O-N 2.86Å; E515-G519 PolarHBondContact O-N 3.47Å
516	Q	81.1	Confident	78.4	Confident	94 Å²	94	65.4 Å²	65.4	44%	0.439	34%	0.337	S	S	.	.	H	α-helix	trans	-68.5	-41.2	176.6	-165.3	-178.4	19.5	0	0	112.3	F511 S512 D513 L518 G519 N520 Y580	F511-Q516 HydrophobicContact CB-CB 4.46Å; S512-Q516 PolarHBondContact O-N 2.88Å; D513-Q516 PolarHBondContact O-N 3.32Å; Q516-L518 VanDerWaalsContact C-N 3.3Å; Q516-L518 PolarHBondContact O-N 3.22Å; Q516-G519 PolarHBondContact O-N 3.49Å; Q516-N520 WeakPolarHBondContact O-CB 3.43Å; Q516-N520 VanDerWaalsContact O-CG 3.27Å; Q516-N520 PolarHBondContact O-N 3.16Å; Q516-N520 PolarHBondContact O-ND2 3.46Å; Q516-Y580 PolarHBondContact O-OH 3.17Å
517	I	80.5	Confident	79.3	Confident	94 Å²	94	67.2 Å²	67.2	48%	0.482	35%	0.346	S	S	.	.	H	α-helix	trans	-59.7	-42.5	173.1	-72.9	162.9	0	0	0	110.3	D513 S514 K521	D513-I517 WeakPolarHBondContact O-CB 3.32Å; D513-I517 WeakPolarHBondContact O-CD1 3.25Å; D513-I517 WeakPolarHBondContact O-CG1 3.49Å; D513-I517 PolarHBondContact O-N 2.7Å; S514-I517 PolarHBondContact O-N 3.13Å; I517-K521 HydrophobicContact CG2-CD 4.06Å; I517-K521 HydrophobicContact CG2-CG 4.48Å; I517-K521 WeakPolarHBondContact O-CB 3.42Å; I517-K521 VanDerWaalsContact O-CG 3.26Å; I517-K521 WeakPolarHBondContact O-CG 3.38Å; I517-K521 PolarHBondContact O-N 2.97Å
518	L	83.1	Confident	80.2	Confident	11 Å²	11	61.9 Å²	61.9	6%	0.058	32%	0.323	C	S	.	.	H	α-helix	trans	-64.2	-49.9	177.6	179.1	58.8	0	0	0	112.1	Y477 M498 E501 F505 S514 E515 Q516 N520 K521 V522	Y477-L518 HydrophobicContact CD2-CD1 3.58Å; Y477-L518 HydrophobicContact CE2-CD1 3.66Å; Y477-L518 HydrophobicContact CE2-CD2 4.32Å; Y477-L518 HydrophobicContact CG-CD1 4.19Å; M498-L518 HydrophobicContact CB-CD1 4.1Å; M498-L518 HydrophobicContact CG-CD1 3.89Å; M498-L518 HydrophobicContact SD-CD1 4.18Å; E501-L518 HydrophobicContact CB-CD2 3.99Å; E501-L518 HydrophobicContact CG-CD2 3.72Å; E501-L518 WeakPolarHBondContact OE2-CD2 3.43Å; F505-L518 HydrophobicContact CE1-CD2 4.03Å; F505-L518 HydrophobicContact CZ-CD2 4.25Å; S514-L518 PolarHBondContact O-N 3.47Å; E515-L518 PolarHBondContact O-N 2.86Å; Q516-L518 VanDerWaalsContact C-N 3.3Å; Q516-L518 PolarHBondContact O-N 3.22Å; L518-N520 VanDerWaalsContact C-N 3.33Å; L518-N520 PolarHBondContact O-N 2.84Å; L518-K521 WeakPolarHBondContact O-CB 3.37Å; L518-K521 PolarHBondContact O-N 3.47Å; L518-K521 VanDerWaalsContact O-N 3.13Å; L518-V522 WeakPolarHBondContact O-CG2 3.18Å; L518-V522 PolarHBondContact O-N 3.37Å
519	G	82.9	Confident	80.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.5	-41.5	178.9	0	0	0	0	0	112.7	E515 Q516 V522 L523	E515-G519 PolarHBondContact O-N 3.47Å; Q516-G519 PolarHBondContact O-N 3.49Å; G519-V522 PolarHBondContact O-N 3.49Å; G519-L523 WeakPolarHBondContact O-CG 3.23Å; G519-L523 PolarHBondContact O-N 2.94Å; G519-L523 VanDerWaalsContact O-N 3.16Å
520	N	85.1	Confident	82	Confident	67 Å²	67	48.1 Å²	48.1	36%	0.358	26%	0.26	S	S	.	.	H	α-helix	trans	-63.7	-41.2	173.6	-72.5	-19.7	0	0	0	112.2	Q516 L518 L523 V524	Q516-N520 WeakPolarHBondContact O-CB 3.43Å; Q516-N520 VanDerWaalsContact O-CG 3.27Å; Q516-N520 PolarHBondContact O-N 3.16Å; Q516-N520 PolarHBondContact O-ND2 3.46Å; L518-N520 VanDerWaalsContact C-N 3.33Å; L518-N520 PolarHBondContact O-N 2.84Å; N520-L523 PolarHBondContact O-N 2.98Å; N520-V524 WeakPolarHBondContact O-CG2 3.47Å; N520-V524 PolarHBondContact O-N 3.4Å
521	K	85.1	Confident	82.8	Confident	37 Å²	37	42.2 Å²	42.2	16%	0.161	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-39.9	175.3	-79.6	178.6	177.2	-162.7	0	112.5	D478 I517 L518 L523 V524 Y525	D478-K521 WeakPolarHBondContact OD1-CD 3.47Å; D478-K521 WeakPolarHBondContact OD1-CE 3.21Å; D478-K521 IonicContact OD1-NZ 3.17Å; D478-K521 PolarHBondContact OD1-NZ 3.1Å; D478-K521 IonicContact OD2-NZ 2.67Å; I517-K521 HydrophobicContact CG2-CD 4.06Å; I517-K521 HydrophobicContact CG2-CG 4.48Å; I517-K521 WeakPolarHBondContact O-CB 3.42Å; I517-K521 VanDerWaalsContact O-CG 3.26Å; I517-K521 WeakPolarHBondContact O-CG 3.38Å; I517-K521 PolarHBondContact O-N 2.97Å; L518-K521 WeakPolarHBondContact O-CB 3.37Å; L518-K521 PolarHBondContact O-N 3.47Å; L518-K521 VanDerWaalsContact O-N 3.13Å; K521-L523 PolarHBondContact O-N 3.43Å; K521-V524 PolarHBondContact O-N 3.34Å; K521-Y525 VanDerWaalsContact O-CB 3.29Å; K521-Y525 WeakPolarHBondContact O-CB 3.29Å; K521-Y525 PolarHBondContact O-N 2.81Å
522	V	87.4	Confident	82.9	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-57.4	-49	173.5	170.2	0	0	0	0	110.5	L495 M498 L499 M502 L518 G519 V524 Y525 L526 L577	L495-V522 HydrophobicContact CD1-CG1 4.33Å; M498-V522 HydrophobicContact CB-CG2 3.54Å; M498-V522 HydrophobicContact CE-CG2 4.42Å; M498-V522 HydrophobicContact CG-CG2 4.37Å; M498-V522 HydrophobicContact SD-CG2 4.11Å; L499-V522 HydrophobicContact CD2-CG1 3.88Å; M502-V522 HydrophobicContact SD-CB 4.45Å; M502-V522 HydrophobicContact SD-CG1 4.25Å; M502-V522 HydrophobicContact SD-CG2 4.43Å; L518-V522 WeakPolarHBondContact O-CG2 3.18Å; L518-V522 PolarHBondContact O-N 3.37Å; G519-V522 PolarHBondContact O-N 3.49Å; V522-V524 PolarHBondContact O-N 2.92Å; V522-Y525 PolarHBondContact O-N 2.77Å; V522-L526 HydrophobicContact CG1-CD1 3.9Å; V522-L526 HydrophobicContact CG1-CG 4.28Å; V522-L526 WeakPolarHBondContact O-CB 3.37Å; V522-L526 VanDerWaalsContact O-CG 3.22Å; V522-L526 WeakPolarHBondContact O-CG 3.33Å; V522-L526 PolarHBondContact O-N 3.03Å; V522-L577 HydrophobicContact CG1-CD2 4.12Å
523	L	87.6	Confident	83.2	Confident	9 Å²	9	41 Å²	41	5%	0.047	23%	0.226	C	C	.	.	H	α-helix	trans	-63.4	-41.8	-179.7	-67.3	165.9	0	0	0	112.7	G519 N520 K521 N527 L577 Y580 D581 Q584 F585	G519-L523 WeakPolarHBondContact O-CG 3.23Å; G519-L523 PolarHBondContact O-N 2.94Å; G519-L523 VanDerWaalsContact O-N 3.16Å; N520-L523 PolarHBondContact O-N 2.98Å; K521-L523 PolarHBondContact O-N 3.43Å; L523-N527 WeakPolarHBondContact O-CB 3.22Å; L523-N527 PolarHBondContact O-N 2.69Å; L523-L577 HydrophobicContact CD2-CD2 4.21Å; L523-Y580 HydrophobicContact CD1-CD1 4.49Å; L523-Y580 HydrophobicContact CD1-CE1 4.3Å; L523-D581 HydrophobicContact CD1-CB 4.34Å; L523-Q584 HydrophobicContact CD1-CB 3.81Å; L523-F585 HydrophobicContact CD2-CB 3.93Å; L523-F585 HydrophobicContact CD2-CD2 4.28Å
524	V	87.8	Confident	83.5	Confident	77 Å²	77	35.1 Å²	35.1	47%	0.467	20%	0.195	S	C	.	.	H	α-helix	trans	-66.3	-43.4	175.4	176.4	0	0	0	0	111.4	N520 K521 V522 N527 C528 Y535	N520-V524 WeakPolarHBondContact O-CG2 3.47Å; N520-V524 PolarHBondContact O-N 3.4Å; K521-V524 PolarHBondContact O-N 3.34Å; V522-V524 PolarHBondContact O-N 2.92Å; V524-N527 WeakPolarHBondContact O-CB 3.49Å; V524-N527 PolarHBondContact O-N 3.19Å; V524-C528 PolarHBondContact O-N 2.88Å; V524-C528 PolarHBondContact O-SG 2.88Å; V524-C528 VanDerWaalsContact O-SG 3.41Å; V524-Y535 HydrophobicContact CG1-CD2 4.31Å; V524-Y535 HydrophobicContact CG1-CE2 3.91Å
525	Y	87.4	Confident	83.8	Confident	1 Å²	1	31.8 Å²	31.8	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-63.4	-44	177.8	-174.2	-117.3	0	0	0	111.6	I481 N485 Y491 P494 L495 M498 K521 V522 N527 C528 C529 Y535	I481-Y525 HydrophobicContact CD1-CD2 4.25Å; I481-Y525 HydrophobicContact CD1-CG 4.38Å; I481-Y525 HydrophobicContact CG1-CE2 4.47Å; I481-Y525 HydrophobicContact CG2-CD2 3.84Å; I481-Y525 HydrophobicContact CG2-CE2 3.29Å; N485-Y525 PolarHBondContact OD1-OH 3.34Å; Y491-Y525 WeakPolarHBondContact CA-OH 3.16Å; Y491-Y525 PolarHBondContact O-OH 3.34Å; Y491-Y525 VanDerWaalsContact O-OH 3.12Å; P494-Y525 HydrophobicContact CG-CE1 4.39Å; L495-Y525 HydrophobicContact CB-CD1 4.36Å; L495-Y525 HydrophobicContact CB-CE1 4.04Å; L495-Y525 HydrophobicContact CD1-CD1 4.28Å; M498-Y525 HydrophobicContact CE-CD1 3.69Å; M498-Y525 HydrophobicContact CE-CE1 4.29Å; M498-Y525 HydrophobicContact CE-CG 4.19Å; K521-Y525 VanDerWaalsContact O-CB 3.29Å; K521-Y525 WeakPolarHBondContact O-CB 3.29Å; K521-Y525 PolarHBondContact O-N 2.81Å; V522-Y525 PolarHBondContact O-N 2.77Å; Y525-N527 VanDerWaalsContact C-N 3.33Å; Y525-N527 PolarHBondContact O-N 2.83Å; Y525-C528 PolarHBondContact O-N 2.77Å; Y525-C529 VanDerWaalsContact CZ-SG 3.58Å; Y525-C529 WeakPolarHBondContact O-CB 3.29Å; Y525-C529 PolarHBondContact O-N 2.93Å; Y525-C529 PolarHBondContact O-SG 3.33Å; Y525-Y535 HydrophobicContact CD2-CD1 4.07Å; Y525-Y535 HydrophobicContact CD2-CD2 4.02Å; Y525-Y535 AromaticContact CD2-CG 3.64Å; Y525-Y535 HydrophobicContact CD2-CG 3.64Å; Y525-Y535 HydrophobicContact CE2-CG 4.24Å
526	L	86.3	Confident	83.1	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-56.7	-45	173	-77	178.9	0	0	0	112	L495 V522 C529 L530 T552 I556 L577	L495-L526 HydrophobicContact CD1-CD2 3.61Å; L495-L526 HydrophobicContact CD1-CG 4Å; L495-L526 HydrophobicContact CD2-CD2 3.62Å; L495-L526 HydrophobicContact CG-CD2 4.27Å; V522-L526 HydrophobicContact CG1-CD1 3.9Å; V522-L526 HydrophobicContact CG1-CG 4.28Å; V522-L526 WeakPolarHBondContact O-CB 3.37Å; V522-L526 VanDerWaalsContact O-CG 3.22Å; V522-L526 WeakPolarHBondContact O-CG 3.33Å; V522-L526 PolarHBondContact O-N 3.03Å; L526-C529 PolarHBondContact O-N 3.08Å; L526-L530 WeakPolarHBondContact O-CB 3.44Å; L526-L530 WeakPolarHBondContact O-CG 3.37Å; L526-L530 PolarHBondContact O-N 3.29Å; L526-T552 HydrophobicContact CD2-CG2 3.76Å; L526-I556 HydrophobicContact CD2-CD1 3.77Å; L526-I556 HydrophobicContact CD2-CG1 4.19Å; L526-L577 HydrophobicContact CD1-CD1 3.74Å; L526-L577 HydrophobicContact CD1-CD2 3.99Å
527	N	87.4	Confident	82.5	Confident	45 Å²	45	34.5 Å²	34.5	24%	0.241	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-45.9	176.7	-168.2	26.6	0	0	0	112	L523 V524 Y525 S531 V588 C592	L523-N527 WeakPolarHBondContact O-CB 3.22Å; L523-N527 PolarHBondContact O-N 2.69Å; V524-N527 WeakPolarHBondContact O-CB 3.49Å; V524-N527 PolarHBondContact O-N 3.19Å; Y525-N527 VanDerWaalsContact C-N 3.33Å; Y525-N527 PolarHBondContact O-N 2.83Å; N527-S531 WeakPolarHBondContact O-CB 3.46Å; N527-S531 PolarHBondContact O-N 3.19Å; N527-S531 PolarHBondContact O-OG 2.8Å; N527-V588 HydrophobicContact CB-CB 4.42Å; N527-V588 HydrophobicContact CB-CG1 3.73Å; N527-V588 HydrophobicContact CB-CG2 3.89Å; N527-C592 PolarHBondContact OD1-SG 3.31Å; N527-C592 VanDerWaalsContact OD1-SG 3.4Å
528	C	85.8	Confident	81.9	Confident	23 Å²	23	32.1 Å²	32.1	16%	0.155	18%	0.18	C	C	.	.	H	α-helix	trans	-60	-50	175.9	-68.3	0	0	0	0	111.7	V524 Y525 S531 G532 M533	V524-C528 PolarHBondContact O-N 2.88Å; V524-C528 PolarHBondContact O-SG 2.88Å; V524-C528 VanDerWaalsContact O-SG 3.41Å; Y525-C528 PolarHBondContact O-N 2.77Å; C528-S531 PolarHBondContact O-N 3.39Å; C528-G532 PolarHBondContact O-N 2.88Å; C528-G532 VanDerWaalsContact O-N 3.1Å; C528-M533 CarbonylContact C-O 3.31Å; C528-M533 HydrophobicContact CB-CB 4.43Å; C528-M533 PolarHBondContact O-N 3.39Å
529	C	85.7	Confident	81.3	Confident	3 Å²	3	34.7 Å²	34.7	2%	0.02	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-43.7	-178.4	-74.2	0	0	0	0	113.1	Y525 L526 G532 V548 P549 T552	Y525-C529 VanDerWaalsContact CZ-SG 3.58Å; Y525-C529 WeakPolarHBondContact O-CB 3.29Å; Y525-C529 PolarHBondContact O-N 2.93Å; Y525-C529 PolarHBondContact O-SG 3.33Å; L526-C529 PolarHBondContact O-N 3.08Å; C529-G532 PolarHBondContact O-N 2.96Å; C529-V548 HydrophobicContact CB-CG1 3.89Å; C529-P549 WeakPolarHBondContact O-CA 3.37Å; C529-P549 WeakPolarHBondContact O-CG 3.48Å; C529-T552 HydrophobicContact CB-CG2 4.01Å; C529-T552 WeakPolarHBondContact CB-OG1 3.47Å
530	L	83.9	Confident	81.2	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-70.3	-34.1	177.3	-69.9	172.6	0	0	0	112.4	L526 G532 T552 F553 I556 V588 C592 F598	L526-L530 WeakPolarHBondContact O-CB 3.44Å; L526-L530 WeakPolarHBondContact O-CG 3.37Å; L526-L530 PolarHBondContact O-N 3.29Å; L530-G532 VanDerWaalsContact C-N 3.26Å; L530-G532 PolarHBondContact O-N 3.02Å; L530-T552 HydrophobicContact CD2-CG2 3.94Å; L530-T552 HydrophobicContact CG-CG2 4.02Å; L530-F553 HydrophobicContact CD2-CB 4.27Å; L530-I556 HydrophobicContact CD1-CD1 4.13Å; L530-V588 HydrophobicContact CD1-CG1 4.44Å; L530-C592 HydrophobicContact CB-CB 4.11Å; L530-C592 VanDerWaalsContact CB-SG 3.5Å; L530-F598 HydrophobicContact CD2-CE2 4.49Å; L530-F598 HydrophobicContact CD2-CZ 4.4Å
531	S	82.3	Confident	81	Confident	40 Å²	40	35.4 Å²	35.4	28%	0.28	21%	0.207	S	C	.	.	H	α-helix	trans	-75.3	-8.4	174.5	-63.1	0	0	0	0	114.2	N527 C528 M533 C592	N527-S531 WeakPolarHBondContact O-CB 3.46Å; N527-S531 PolarHBondContact O-N 3.19Å; N527-S531 PolarHBondContact O-OG 2.8Å; C528-S531 PolarHBondContact O-N 3.39Å; S531-M533 VanDerWaalsContact C-N 3.35Å; S531-C592 PolarHBondContact OG-SG 2.87Å
532	G	79.4	Confident	80.4	Confident	3 Å²	3	39.9 Å²	39.9	3%	0.031	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	24.2	-175.3	0	0	0	0	0	114.3	C528 C529 L530 L540	C528-G532 PolarHBondContact O-N 2.88Å; C528-G532 VanDerWaalsContact O-N 3.1Å; C529-G532 PolarHBondContact O-N 2.96Å; L530-G532 VanDerWaalsContact C-N 3.26Å; L530-G532 PolarHBondContact O-N 3.02Å; G532-L540 WeakPolarHBondContact O-CG 3.32Å
533	M	82.1	Confident	79.9	Confident	96 Å²	96	47.5 Å²	47.5	47%	0.473	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-100.1	152.9	179.5	-64.6	-63.8	-71.6	0	0	111.3	C528 S531	C528-M533 CarbonylContact C-O 3.31Å; C528-M533 HydrophobicContact CB-CB 4.43Å; C528-M533 PolarHBondContact O-N 3.39Å; S531-M533 VanDerWaalsContact C-N 3.35Å
534	A	80.3	Confident	79.6	Confident	5 Å²	5	47.6 Å²	47.6	4%	0.041	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-88.7	124.9	177.9	0	0	0	0	0	110.8	P536 F537 G538 L540	A534-P536 CarbonylContact O-C 3.55Å; A534-F537 CarbonylContact O-C 3.5Å; A534-F537 VanDerWaalsContact O-C 3.31Å; A534-F537 PolarHBondContact O-N 2.97Å; A534-G538 PolarHBondContact N-O 3.32Å; A534-G538 PolarHBondContact O-N 2.88Å; A534-L540 HydrophobicContact CB-CD2 3.91Å; A534-L540 HydrophobicContact CB-CG 4.45Å
535	Y	78.6	Confident	79.2	Confident	22 Å²	22	49.1 Å²	49.1	9%	0.086	26%	0.262	C	S	.	.	S	Bend	trans	-82.3	142.7	171.4	-175.9	-86	0	0	0	111.3	D478 I481 V524 Y525	D478-Y535 HydrophobicContact CB-CE1 4.17Å; D478-Y535 PolarHBondContact OD1-OH 3.5Å; D478-Y535 PolarHBondContact OD2-OH 2.63Å; I481-Y535 HydrophobicContact CB-CD1 4.29Å; I481-Y535 HydrophobicContact CB-CE1 4.47Å; I481-Y535 HydrophobicContact CD1-CD1 4.28Å; I481-Y535 HydrophobicContact CD1-CE1 3.92Å; I481-Y535 HydrophobicContact CG2-CD1 3.52Å; I481-Y535 HydrophobicContact CG2-CE1 4.15Å; I481-Y535 HydrophobicContact CG2-CG 4.31Å; V524-Y535 HydrophobicContact CG1-CD2 4.31Å; V524-Y535 HydrophobicContact CG1-CE2 3.91Å; Y525-Y535 HydrophobicContact CD2-CD1 4.07Å; Y525-Y535 HydrophobicContact CD2-CD2 4.02Å; Y525-Y535 AromaticContact CD2-CG 3.64Å; Y525-Y535 HydrophobicContact CD2-CG 3.64Å; Y525-Y535 HydrophobicContact CE2-CG 4.24Å
536	P	66.2	Low	78.7	Confident	29 Å²	29	56.7 Å²	56.7	19%	0.188	30%	0.295	C	S	.	.	S	Bend	cis	-82.8	-20.7	-7	29.5	-31.1	0	0	0	113.6	V455 A534	V455-P536 HydrophobicContact CB-CG 4.37Å; V455-P536 HydrophobicContact CG1-CG 3.31Å; V455-P536 HydrophobicContact CG2-CG 4.09Å; A534-P536 CarbonylContact O-C 3.55Å
537	F	68.9	Low	78.6	Confident	157 Å²	157	61 Å²	61	69%	0.689	31%	0.311	S	S	*	.	S	Bend	trans	-140.1	136.1	178.2	-42.7	-72.9	0	0	0	111.3	V455 A534	V455-F537 HydrophobicContact CG1-CD2 4.35Å; V455-F537 HydrophobicContact CG1-CE2 4.35Å; A534-F537 CarbonylContact O-C 3.5Å; A534-F537 VanDerWaalsContact O-C 3.31Å; A534-F537 PolarHBondContact O-N 2.97Å
538	G	67.4	Low	78.4	Confident	45 Å²	45	58.9 Å²	58.9	46%	0.464	30%	0.3	S	S	.	.	S	Bend	trans	123.9	-174.7	172.1	0	0	0	0	0	114.5	A534	A534-G538 PolarHBondContact N-O 3.32Å; A534-G538 PolarHBondContact O-N 2.88Å
539	A	71.1	Confident	78.3	Confident	65 Å²	65	58 Å²	58	54%	0.537	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-111.1	150.9	176.5	0	0	0	0	0	111.1
540	L	79.4	Confident	78.2	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.021	31%	0.305	C	S	.	.			trans	-77.8	149.9	167.9	-60.6	177.6	0	0	0	110.7	Y491 G532 A534 N544 R545 V548	Y491-L540 HydrophobicContact CE1-CD2 3.83Å; Y491-L540 WeakPolarHBondContact OH-CD2 3.2Å; G532-L540 WeakPolarHBondContact O-CG 3.32Å; A534-L540 HydrophobicContact CB-CD2 3.91Å; A534-L540 HydrophobicContact CB-CG 4.45Å; L540-N544 HydrophobicContact CB-CB 4.21Å; L540-N544 HydrophobicContact CD1-CB 4.42Å; L540-R545 HydrophobicContact CB-CB 4.3Å; L540-R545 PolarHBondContact O-NE 3.44Å; L540-R545 PolarHBondContact O-NH2 3.46Å; L540-V548 HydrophobicContact CD1-CB 3.95Å; L540-V548 HydrophobicContact CD1-CG1 4.3Å; L540-V548 HydrophobicContact CD1-CG2 4.07Å
541	D	80.7	Confident	78.1	Confident	77 Å²	77	62.6 Å²	62.6	41%	0.412	32%	0.316	S	S	.	.			trans	-60.5	163.2	166.2	56.8	-81.6	0	0	0	112	E543 N544 R545	D541-E543 PolarHBondContact O-N 2.92Å; D541-E543 PolarHBondContact OD2-N 2.68Å; D541-N544 PolarHBondContact O-N 3.5Å; D541-N544 WeakPolarHBondContact OD1-CB 3.41Å; D541-N544 PolarHBondContact OD1-ND2 3.44Å; D541-N544 WeakPolarHBondContact OD2-CB 3.28Å; D541-N544 PolarHBondContact OD2-N 2.81Å; D541-N544 PolarHBondContact OD2-ND2 2.79Å; D541-R545 VanDerWaalsContact O-CB 3.23Å; D541-R545 WeakPolarHBondContact O-CB 3.14Å; D541-R545 PolarHBondContact O-N 3.39Å
542	E	73.1	Confident	78.2	Confident	132 Å²	132	60.7 Å²	60.7	62%	0.617	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.2	-171.5	-65.6	-102.4	118.3	0	0	114	R545	E542-R545 IonicContact OE1-CZ 3.86Å; E542-R545 IonicContact OE1-NH1 2.75Å; E542-R545 PolarHBondContact OE1-NH1 3.18Å; E542-R545 IonicContact OE1-NH2 2.73Å
543	E	77.1	Confident	78.4	Confident	160 Å²	160	62.1 Å²	62.1	75%	0.748	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-53	177.8	-62	-168.7	162.9	0	0	110.6	D541 R545 K546 R547	D541-E543 PolarHBondContact O-N 2.92Å; D541-E543 PolarHBondContact OD2-N 2.68Å; E543-R545 VanDerWaalsContact C-N 3.28Å; E543-R545 PolarHBondContact O-N 3.27Å; E543-K546 PolarHBondContact O-N 2.89Å; E543-K546 VanDerWaalsContact O-N 3.09Å; E543-R547 PolarHBondContact O-N 3.1Å
544	N	81.1	Confident	78.4	Confident	11 Å²	11	65.2 Å²	65.2	6%	0.059	32%	0.315	C	S	.	.	H	α-helix	trans	-64	-30.6	178	-77.3	-40.3	0	0	0	112.9	N489 L540 D541 K546 R547 V548	N489-N544 PolarHBondContact ND2-OD1 3.43Å; N489-N544 PolarHBondContact OD1-ND2 2.99Å; N489-N544 PolarHBondContact OD1-OD1 2.91Å; L540-N544 HydrophobicContact CB-CB 4.21Å; L540-N544 HydrophobicContact CD1-CB 4.42Å; D541-N544 PolarHBondContact O-N 3.5Å; D541-N544 WeakPolarHBondContact OD1-CB 3.41Å; D541-N544 PolarHBondContact OD1-ND2 3.44Å; D541-N544 WeakPolarHBondContact OD2-CB 3.28Å; D541-N544 PolarHBondContact OD2-N 2.81Å; D541-N544 PolarHBondContact OD2-ND2 2.79Å; N544-K546 PolarHBondContact O-N 2.99Å; N544-K546 VanDerWaalsContact O-N 3.13Å; N544-R547 PolarHBondContact O-N 3.01Å; N544-V548 HydrophobicContact CB-CG2 4.05Å; N544-V548 WeakPolarHBondContact O-CB 3.46Å; N544-V548 WeakPolarHBondContact O-CG2 3.4Å; N544-V548 PolarHBondContact O-N 3.25Å
545	R	79.7	Confident	78.5	Confident	109 Å²	109	65.6 Å²	65.6	41%	0.411	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-21.3	174.6	-162.4	-176.3	-53.9	140	10.9	113.2	L540 D541 E542 E543 P549	L540-R545 HydrophobicContact CB-CB 4.3Å; L540-R545 PolarHBondContact O-NE 3.44Å; L540-R545 PolarHBondContact O-NH2 3.46Å; D541-R545 VanDerWaalsContact O-CB 3.23Å; D541-R545 WeakPolarHBondContact O-CB 3.14Å; D541-R545 PolarHBondContact O-N 3.39Å; E542-R545 IonicContact OE1-CZ 3.86Å; E542-R545 IonicContact OE1-NH1 2.75Å; E542-R545 PolarHBondContact OE1-NH1 3.18Å; E542-R545 IonicContact OE1-NH2 2.73Å; E543-R545 VanDerWaalsContact C-N 3.28Å; E543-R545 PolarHBondContact O-N 3.27Å; R545-P549 WeakPolarHBondContact O-CG 3.46Å
546	K	77	Confident	78.7	Confident	160 Å²	160	64.6 Å²	64.6	70%	0.696	31%	0.313	S	S	*	.	H	α-helix	trans	-98.4	-35.8	172.4	-65.1	174.2	-174.7	166.8	0	112.5	E543 N544	E543-K546 PolarHBondContact O-N 2.89Å; E543-K546 VanDerWaalsContact O-N 3.09Å; N544-K546 PolarHBondContact O-N 2.99Å; N544-K546 VanDerWaalsContact O-N 3.13Å
547	R	83.8	Confident	79.2	Confident	91 Å²	91	64.5 Å²	64.5	34%	0.343	31%	0.313	S	S	.	.	H	α-helix	trans	-72.7	-52.7	-177.3	-170	175.2	87.2	102.9	-6.7	112.9	N489 E543 N544 L550 E551	N489-R547 PolarHBondContact O-NH2 3.12Å; E543-R547 PolarHBondContact O-N 3.1Å; N544-R547 PolarHBondContact O-N 3.01Å; R547-L550 PolarHBondContact O-N 3.15Å; R547-E551 WeakPolarHBondContact CD-OE1 3.48Å; R547-E551 VanDerWaalsContact CG-CD 3.48Å; R547-E551 HydrophobicContact CG-CG 4.2Å; R547-E551 WeakPolarHBondContact CG-OE1 3.32Å; R547-E551 IonicContact CZ-OE1 2.88Å; R547-E551 IonicContact CZ-OE2 2.69Å; R547-E551 IonicContact NE-OE1 3.48Å; R547-E551 IonicContact NE-OE2 3.41Å; R547-E551 IonicContact NH1-OE1 3.31Å; R547-E551 PolarHBondContact NH1-OE1 3.15Å; R547-E551 IonicContact NH1-OE2 3.79Å; R547-E551 PolarHBondContact NH1-OE2 3.16Å; R547-E551 PolarHBondContact O-N 3.38Å
548	V	83.7	Confident	79.6	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-49.2	-170.9	176.7	0	0	0	0	112.2	Y491 C529 L540 N544 L550 E551 T552	Y491-V548 HydrophobicContact CD1-CG1 4.03Å; Y491-V548 HydrophobicContact CD1-CG2 4.14Å; Y491-V548 HydrophobicContact CD2-CG2 3.49Å; Y491-V548 VanDerWaalsContact CD2-CG2 3.49Å; Y491-V548 HydrophobicContact CE1-CG2 4.35Å; Y491-V548 HydrophobicContact CE2-CG2 3.74Å; Y491-V548 HydrophobicContact CG-CG1 3.94Å; Y491-V548 HydrophobicContact CG-CG2 3.73Å; C529-V548 HydrophobicContact CB-CG1 3.89Å; L540-V548 HydrophobicContact CD1-CB 3.95Å; L540-V548 HydrophobicContact CD1-CG1 4.3Å; L540-V548 HydrophobicContact CD1-CG2 4.07Å; N544-V548 HydrophobicContact CB-CG2 4.05Å; N544-V548 WeakPolarHBondContact O-CB 3.46Å; N544-V548 WeakPolarHBondContact O-CG2 3.4Å; N544-V548 PolarHBondContact O-N 3.25Å; V548-L550 VanDerWaalsContact C-N 3.27Å; V548-L550 PolarHBondContact O-N 3.03Å; V548-E551 PolarHBondContact O-N 3.43Å; V548-T552 WeakPolarHBondContact O-CB 3.33Å; V548-T552 PolarHBondContact O-N 2.96Å; V548-T552 PolarHBondContact O-OG1 3.48Å; V548-T552 VanDerWaalsContact O-OG1 3.1Å
549	P	83.8	Confident	79.3	Confident	4 Å²	4	61 Å²	61	3%	0.026	29%	0.293	C	S	.	.	H	α-helix	trans	-57.8	-39.1	177.1	-24.6	33.5	0	0	0	113.2	C529 R545 F553 L597	C529-P549 WeakPolarHBondContact O-CA 3.37Å; C529-P549 WeakPolarHBondContact O-CG 3.48Å; R545-P549 WeakPolarHBondContact O-CG 3.46Å; P549-F553 VanDerWaalsContact O-CB 3.22Å; P549-F553 WeakPolarHBondContact O-CB 3.45Å; P549-F553 PolarHBondContact O-N 2.56Å; P549-L597 HydrophobicContact CB-CB 4.45Å; P549-L597 HydrophobicContact CB-CD2 3.84Å; P549-L597 VanDerWaalsContact O-CD2 3.32Å; P549-L597 WeakPolarHBondContact O-CD2 3.48Å
550	L	82.7	Confident	78.7	Confident	51 Å²	51	66.1 Å²	66.1	27%	0.267	30%	0.303	S	S	.	.	H	α-helix	trans	-69.3	-41.4	-179.8	179	64.8	0	0	0	112.2	R547 V548 R554 L597	R547-L550 PolarHBondContact O-N 3.15Å; V548-L550 VanDerWaalsContact C-N 3.27Å; V548-L550 PolarHBondContact O-N 3.03Å; L550-R554 WeakPolarHBondContact O-CB 3.34Å; L550-R554 VanDerWaalsContact O-CG 3.25Å; L550-R554 WeakPolarHBondContact O-CG 3.48Å; L550-R554 PolarHBondContact O-N 3.46Å; L550-L597 HydrophobicContact CB-CD1 3.88Å; L550-L597 HydrophobicContact CD1-CD1 3.82Å; L550-L597 HydrophobicContact CG-CD1 4.46Å
551	E	82.7	Confident	77.6	Confident	53 Å²	53	67.9 Å²	67.9	25%	0.248	31%	0.311	C	S	.	.	H	α-helix	trans	-69.8	-42.8	177.8	-71.3	178.1	179.5	0	0	111.4	I492 R547 V548 R554 C555	I492-E551 HydrophobicContact CD1-CB 3.83Å; I492-E551 HydrophobicContact CG1-CB 4.02Å; R547-E551 WeakPolarHBondContact CD-OE1 3.48Å; R547-E551 VanDerWaalsContact CG-CD 3.48Å; R547-E551 HydrophobicContact CG-CG 4.2Å; R547-E551 WeakPolarHBondContact CG-OE1 3.32Å; R547-E551 IonicContact CZ-OE1 2.88Å; R547-E551 IonicContact CZ-OE2 2.69Å; R547-E551 IonicContact NE-OE1 3.48Å; R547-E551 IonicContact NE-OE2 3.41Å; R547-E551 IonicContact NH1-OE1 3.31Å; R547-E551 PolarHBondContact NH1-OE1 3.15Å; R547-E551 IonicContact NH1-OE2 3.79Å; R547-E551 PolarHBondContact NH1-OE2 3.16Å; R547-E551 PolarHBondContact O-N 3.38Å; V548-E551 PolarHBondContact O-N 3.43Å; E551-R554 PolarHBondContact O-N 2.93Å; E551-C555 PolarHBondContact O-N 3.03Å
552	T	84.5	Confident	76.2	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.6	-44.6	174.5	-59.1	0	0	0	0	111.5	L495 L526 C529 L530 V548 R554 C555 I556	L495-T552 HydrophobicContact CD2-CG2 4.11Å; L526-T552 HydrophobicContact CD2-CG2 3.76Å; C529-T552 HydrophobicContact CB-CG2 4.01Å; C529-T552 WeakPolarHBondContact CB-OG1 3.47Å; L530-T552 HydrophobicContact CD2-CG2 3.94Å; L530-T552 HydrophobicContact CG-CG2 4.02Å; V548-T552 WeakPolarHBondContact O-CB 3.33Å; V548-T552 PolarHBondContact O-N 2.96Å; V548-T552 PolarHBondContact O-OG1 3.48Å; V548-T552 VanDerWaalsContact O-OG1 3.1Å; T552-R554 VanDerWaalsContact C-N 3.34Å; T552-R554 PolarHBondContact O-N 2.93Å; T552-C555 WeakPolarHBondContact O-CB 3.36Å; T552-C555 PolarHBondContact O-N 3.04Å; T552-I556 HydrophobicContact CG2-CD1 4Å; T552-I556 WeakPolarHBondContact O-CG1 3.48Å; T552-I556 PolarHBondContact O-N 2.92Å
553	F	82.9	Confident	74.9	Confident	34 Å²	34	71.6 Å²	71.6	15%	0.149	33%	0.328	C	S	.	.	H	α-helix	trans	-60.4	-40.8	175	175.6	-95.6	0	0	0	112.7	L530 P549 S557 L597 F598 F607	L530-F553 HydrophobicContact CD2-CB 4.27Å; P549-F553 VanDerWaalsContact O-CB 3.22Å; P549-F553 WeakPolarHBondContact O-CB 3.45Å; P549-F553 PolarHBondContact O-N 2.56Å; F553-S557 WeakPolarHBondContact O-CB 3.35Å; F553-S557 PolarHBondContact O-N 2.85Å; F553-S557 PolarHBondContact O-OG 2.89Å; F553-L597 HydrophobicContact CB-CD2 3.81Å; F553-L597 HydrophobicContact CG-CD2 4.26Å; F553-F598 AromaticContact CD2-CE1 3.82Å; F553-F598 HydrophobicContact CD2-CE1 3.82Å; F553-F598 HydrophobicContact CD2-CZ 4.02Å; F553-F598 AromaticContact CE2-CE1 3.83Å; F553-F598 HydrophobicContact CE2-CE1 3.83Å; F553-F598 HydrophobicContact CE2-CZ 4.48Å; F553-F607 HydrophobicContact CD2-CE2 4.47Å; F553-F607 HydrophobicContact CE2-CB 4.25Å; F553-F607 HydrophobicContact CE2-CD1 4.5Å; F553-F607 AromaticContact CE2-CD2 3.58Å; F553-F607 HydrophobicContact CE2-CD2 3.58Å; F553-F607 AromaticContact CE2-CE2 3.94Å; F553-F607 HydrophobicContact CE2-CE2 3.94Å; F553-F607 AromaticContact CE2-CG 3.88Å; F553-F607 HydrophobicContact CE2-CG 3.88Å; F553-F607 HydrophobicContact CZ-CD2 4.2Å
554	R	82.8	Confident	73.3	Confident	160 Å²	160	67.9 Å²	67.9	60%	0.604	33%	0.332	S	S	*	.	H	α-helix	trans	-66.5	-35.7	175.2	-77.2	171.5	175.8	-178.4	-0.5	112.8	L550 E551 T552 S558	L550-R554 WeakPolarHBondContact O-CB 3.34Å; L550-R554 VanDerWaalsContact O-CG 3.25Å; L550-R554 WeakPolarHBondContact O-CG 3.48Å; L550-R554 PolarHBondContact O-N 3.46Å; E551-R554 PolarHBondContact O-N 2.93Å; T552-R554 VanDerWaalsContact C-N 3.34Å; T552-R554 PolarHBondContact O-N 2.93Å; R554-S558 PolarHBondContact O-N 2.91Å
555	C	81.9	Confident	71.5	Confident	13 Å²	13	70.4 Å²	70.4	9%	0.088	35%	0.351	C	S	.	.	H	α-helix	trans	-64.2	-51	175	-172.3	0	0	0	0	110.9	I492 E551 T552 S557 S558 Y573	I492-C555 HydrophobicContact CG2-CB 4.46Å; E551-C555 PolarHBondContact O-N 3.03Å; T552-C555 WeakPolarHBondContact O-CB 3.36Å; T552-C555 PolarHBondContact O-N 3.04Å; C555-S557 PolarHBondContact O-N 2.88Å; C555-S558 WeakPolarHBondContact O-CB 3.33Å; C555-S558 PolarHBondContact O-N 3.23Å; C555-S558 PolarHBondContact O-OG 2.8Å; C555-S558 VanDerWaalsContact O-OG 3.13Å; C555-Y573 VanDerWaalsContact O-CD2 3.27Å; C555-Y573 WeakPolarHBondContact O-CD2 3.34Å
556	I	82.2	Confident	69.7	Low	1 Å²	1	75 Å²	75	1%	0.005	38%	0.377	C	S	.	.	H	α-helix	trans	-64.7	-42.2	180	-61.3	164.8	0	0	0	111.3	L526 L530 T552 S558 L574	L526-I556 HydrophobicContact CD2-CD1 3.77Å; L526-I556 HydrophobicContact CD2-CG1 4.19Å; L530-I556 HydrophobicContact CD1-CD1 4.13Å; T552-I556 HydrophobicContact CG2-CD1 4Å; T552-I556 WeakPolarHBondContact O-CG1 3.48Å; T552-I556 PolarHBondContact O-N 2.92Å; I556-S558 PolarHBondContact O-N 3.38Å; I556-L574 HydrophobicContact CG2-CD2 3.39Å; I556-L574 HydrophobicContact CG2-CG 3.69Å
557	S	76.4	Confident	68.2	Low	27 Å²	27	69.7 Å²	69.7	19%	0.189	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	17.1	-178	-46.5	0	0	0	0	113.2	F553 C555 Y571	F553-S557 WeakPolarHBondContact O-CB 3.35Å; F553-S557 PolarHBondContact O-N 2.85Å; F553-S557 PolarHBondContact O-OG 2.89Å; C555-S557 PolarHBondContact O-N 2.88Å; S557-Y571 WeakPolarHBondContact O-CE1 3.11Å
558	S	78.4	Confident	66.6	Low	26 Å²	26	73.6 Å²	73.6	18%	0.182	39%	0.388	C	S	.	.			trans	-70.4	140.9	179.6	73.2	0	0	0	0	111.1	R554 C555 I556 K560 Y573	R554-S558 PolarHBondContact O-N 2.91Å; C555-S558 WeakPolarHBondContact O-CB 3.33Å; C555-S558 PolarHBondContact O-N 3.23Å; C555-S558 PolarHBondContact O-OG 2.8Å; C555-S558 VanDerWaalsContact O-OG 3.13Å; I556-S558 PolarHBondContact O-N 3.38Å; S558-K560 PolarHBondContact OG-O 2.93Å; S558-Y573 WeakPolarHBondContact OG-CD2 3.41Å
559	L	61.1	Low	65.4	Low	104 Å²	104	77.8 Å²	77.8	55%	0.545	41%	0.407	S	S	.	.	S	Bend	trans	-81.8	-18	-179.7	-74.5	166	0	0	0	113.4	Y571	L559-Y571 HydrophobicContact CD2-CD1 4.36Å; L559-Y571 HydrophobicContact CD2-CE1 3.78Å; L559-Y571 HydrophobicContact CD2-CE2 4.06Å; L559-Y571 HydrophobicContact CG-CE1 4.35Å
560	K	57.1	Low	64.7	Low	172 Å²	172	83.4 Å²	83.4	75%	0.748	43%	0.433	S	S	*	.	S	Bend	trans	-149.1	156.2	-179.4	-67.5	-165.5	173.9	-163.9	0	110.4	S558	S558-K560 PolarHBondContact OG-O 2.93Å
561	E	56.3	Low	64.4	Low	41 Å²	41	83.5 Å²	83.5	19%	0.192	43%	0.43	C	S	.	.			trans	-73.4	163.1	172.1	-60.8	-174.4	133.9	0	0	111.8	R503 D563 P572	R503-E561 IonicContact CZ-OE1 2.68Å; R503-E561 IonicContact CZ-OE2 3.69Å; R503-E561 IonicContact NH1-OE1 3.22Å; R503-E561 PolarHBondContact NH1-OE1 3.15Å; R503-E561 IonicContact NH1-OE2 3.95Å; R503-E561 PolarHBondContact NH1-OE2 2.59Å; R503-E561 IonicContact NH2-OE2 2.83Å; E561-D563 VanDerWaalsContact C-N 3.33Å; E561-P572 HydrophobicContact CG-CB 4.21Å; E561-P572 HydrophobicContact CG-CG 3.8Å
562	K	51.6	Low	64.2	Low	151 Å²	151	82 Å²	82	66%	0.657	43%	0.425	S	S	*	.	S	Bend	trans	-68.8	-33.6	-179	-147.9	171.2	-169.4	160.5	0	112.1	E496	E496-K562 IonicContact OE1-NZ 3.34Å; E496-K562 PolarHBondContact OE1-NZ 3.43Å; E496-K562 IonicContact OE2-NZ 3.81Å; E496-K562 PolarHBondContact OE2-NZ 2.84Å
563	D	45.8	Very low	64	Low	136 Å²	136	83.2 Å²	83.2	73%	0.727	43%	0.43	S	S	*	.	S	Bend	trans	-89.1	122	167.2	-67.4	-40.4	0	0	0	109.1	E561 S565	E561-D563 VanDerWaalsContact C-N 3.33Å; D563-S565 PolarHBondContact O-N 2.79Å
564	G	44.8	Very low	64	Low	82 Å²	82	81.6 Å²	81.6	85%	0.845	42%	0.423	S	S	*	.			trans	-72.4	55.5	-172.7	0	0	0	0	0	115
565	S	42.8	Very low	63.9	Low	64 Å²	64	76.5 Å²	76.5	45%	0.448	40%	0.403	S	S	.	.			trans	-70.8	131.9	169.4	70.9	0	0	0	0	110.4	D563 S567	D563-S565 PolarHBondContact O-N 2.79Å; S565-S567 PolarHBondContact O-N 2.88Å
566	E	41.4	Very low	64	Low	205 Å²	205	76.7 Å²	76.7	96%	0.958	40%	0.403	S	S	*	.			trans	-75.3	70.3	177.6	-65.9	-171.2	150.5	0	0	110.9
567	S	45.8	Very low	64.1	Low	49 Å²	49	76.6 Å²	76.6	34%	0.343	40%	0.403	S	S	.	.			trans	-99.1	124.7	163.9	51.3	0	0	0	0	109.5	S565 E569	S565-S567 PolarHBondContact O-N 2.88Å; S567-E569 PolarHBondContact O-N 2.83Å
568	D	50.1	Low	64.4	Low	172 Å²	172	75.4 Å²	75.4	92%	0.92	39%	0.394	S	S	*	.			trans	-70.7	12.1	175.8	-100.4	-21.9	0	0	0	113	Q570	D568-Q570 PolarHBondContact O-N 3.15Å
569	E	58.8	Low	64.6	Low	89 Å²	89	78.6 Å²	78.6	42%	0.416	41%	0.405	S	S	.	.			trans	-92.1	96.4	-172.5	-70	-147.8	-144.4	0	0	112.4	S567 Y571 R575	S567-E569 PolarHBondContact O-N 2.83Å; E569-Y571 PolarHBondContact O-N 3.36Å; E569-R575 VanDerWaalsContact CD-NH1 3.34Å; E569-R575 VanDerWaalsContact CG-NH1 3.32Å; E569-R575 VanDerWaalsContact OE2-CD 3.3Å; E569-R575 WeakPolarHBondContact OE2-CD 3.4Å; E569-R575 IonicContact OE2-CZ 3.43Å; E569-R575 IonicContact OE2-NE 2.69Å; E569-R575 IonicContact OE2-NH1 3.49Å; E569-R575 PolarHBondContact OE2-NH1 2.85Å
570	Q	68.1	Low	65.7	Low	121 Å²	121	74.7 Å²	74.7	57%	0.565	38%	0.383	S	S	*	.	S	Bend	trans	-60.1	132.9	170.8	-61.1	177.3	7.5	0	0	111.5	D568 R575	D568-Q570 PolarHBondContact O-N 3.15Å; Q570-R575 VanDerWaalsContact O-CZ 3.22Å; Q570-R575 PolarHBondContact O-NE 3.31Å; Q570-R575 PolarHBondContact O-NH2 3.33Å
571	Y	76.1	Confident	66.9	Low	54 Å²	54	68.4 Å²	68.4	21%	0.212	36%	0.358	C	S	.	.			trans	63	62.8	179.8	-52.5	-73.1	0	0	0	115	S557 L559 E569 Y573 L574 R575 T610 L614	S557-Y571 WeakPolarHBondContact O-CE1 3.11Å; L559-Y571 HydrophobicContact CD2-CD1 4.36Å; L559-Y571 HydrophobicContact CD2-CE1 3.78Å; L559-Y571 HydrophobicContact CD2-CE2 4.06Å; L559-Y571 HydrophobicContact CG-CE1 4.35Å; E569-Y571 PolarHBondContact O-N 3.36Å; Y571-Y573 PolarHBondContact O-N 3.28Å; Y571-L574 HydrophobicContact CD1-CD1 4.13Å; Y571-L574 HydrophobicContact CG-CD1 4.2Å; Y571-L574 PolarHBondContact O-N 2.86Å; Y571-R575 WeakPolarHBondContact O-CG 3.26Å; Y571-R575 PolarHBondContact O-N 3.33Å; Y571-R575 VanDerWaalsContact O-N 3.11Å; Y571-T610 HydrophobicContact CD2-CG2 4.04Å; Y571-T610 HydrophobicContact CE1-CG2 4.41Å; Y571-T610 HydrophobicContact CE2-CG2 3.69Å; Y571-L614 HydrophobicContact CD2-CD1 4.43Å
572	P	78.7	Confident	68.3	Low	20 Å²	20	67 Å²	67	13%	0.13	35%	0.353	C	S	.	.	H	α-helix	trans	-60.1	-43.8	-175.4	24	-33.8	0	0	0	113.1	E561 R575 L576	E561-P572 HydrophobicContact CG-CB 4.21Å; E561-P572 HydrophobicContact CG-CG 3.8Å; P572-R575 PolarHBondContact O-N 3.08Å; P572-L576 WeakPolarHBondContact O-CB 3.37Å; P572-L576 PolarHBondContact O-N 2.82Å
573	Y	81.1	Confident	69.9	Low	26 Å²	26	64.2 Å²	64.2	10%	0.102	34%	0.342	C	S	.	.	H	α-helix	trans	-70.3	-37.1	-178.5	-58.3	-60.5	0	0	0	113.2	L499 C555 S558 Y571 L576 L577	L499-Y573 HydrophobicContact CB-CD1 4.07Å; L499-Y573 HydrophobicContact CB-CE1 4.05Å; L499-Y573 HydrophobicContact CD1-CD1 3.73Å; L499-Y573 HydrophobicContact CD1-CE1 4.11Å; L499-Y573 HydrophobicContact CD1-CG 4.21Å; L499-Y573 HydrophobicContact CG-CD1 4.35Å; C555-Y573 VanDerWaalsContact O-CD2 3.27Å; C555-Y573 WeakPolarHBondContact O-CD2 3.34Å; S558-Y573 WeakPolarHBondContact OG-CD2 3.41Å; Y571-Y573 PolarHBondContact O-N 3.28Å; Y573-L576 PolarHBondContact O-N 3.05Å; Y573-L577 VanDerWaalsContact O-CG 3.32Å; Y573-L577 WeakPolarHBondContact O-CG 3.14Å; Y573-L577 PolarHBondContact O-N 3.36Å
574	L	82.7	Confident	71.8	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.9	-43.6	173.2	-77.7	171.8	0	0	0	111.6	I556 Y571 L576 L577 L578 F585 F607 T610 L614	I556-L574 HydrophobicContact CG2-CD2 3.39Å; I556-L574 HydrophobicContact CG2-CG 3.69Å; Y571-L574 HydrophobicContact CD1-CD1 4.13Å; Y571-L574 HydrophobicContact CG-CD1 4.2Å; Y571-L574 PolarHBondContact O-N 2.86Å; L574-L576 VanDerWaalsContact C-N 3.33Å; L574-L576 PolarHBondContact O-N 3.37Å; L574-L577 PolarHBondContact O-N 3.44Å; L574-L578 WeakPolarHBondContact O-CB 3.5Å; L574-L578 VanDerWaalsContact O-CG 3.3Å; L574-L578 WeakPolarHBondContact O-CG 3.26Å; L574-L578 PolarHBondContact O-N 2.83Å; L574-F585 HydrophobicContact CD2-CE1 3.96Å; L574-F585 HydrophobicContact CD2-CZ 3.58Å; L574-F607 HydrophobicContact CD1-CE2 4.17Å; L574-F607 HydrophobicContact CD2-CE2 3.96Å; L574-F607 HydrophobicContact CD2-CZ 3.97Å; L574-T610 HydrophobicContact CD1-CG2 4.44Å; L574-L614 HydrophobicContact CB-CD1 3.85Å; L574-L614 HydrophobicContact CD1-CD1 4.07Å
575	R	81.4	Confident	73.9	Confident	53 Å²	53	58.2 Å²	58.2	20%	0.2	29%	0.287	C	S	.	.	H	α-helix	trans	-63.3	-38.8	175.7	-70.4	177.9	-175	-164.2	1.1	111.9	E569 Q570 Y571 P572 K579 L614	E569-R575 VanDerWaalsContact CD-NH1 3.34Å; E569-R575 VanDerWaalsContact CG-NH1 3.32Å; E569-R575 VanDerWaalsContact OE2-CD 3.3Å; E569-R575 WeakPolarHBondContact OE2-CD 3.4Å; E569-R575 IonicContact OE2-CZ 3.43Å; E569-R575 IonicContact OE2-NE 2.69Å; E569-R575 IonicContact OE2-NH1 3.49Å; E569-R575 PolarHBondContact OE2-NH1 2.85Å; Q570-R575 VanDerWaalsContact O-CZ 3.22Å; Q570-R575 PolarHBondContact O-NE 3.31Å; Q570-R575 PolarHBondContact O-NH2 3.33Å; Y571-R575 WeakPolarHBondContact O-CG 3.26Å; Y571-R575 PolarHBondContact O-N 3.33Å; Y571-R575 VanDerWaalsContact O-N 3.11Å; P572-R575 PolarHBondContact O-N 3.08Å; R575-K579 VanDerWaalsContact O-CB 3.28Å; R575-K579 WeakPolarHBondContact O-CB 3.47Å; R575-K579 WeakPolarHBondContact O-CG 3.39Å; R575-K579 PolarHBondContact O-N 3.47Å; R575-L614 HydrophobicContact CG-CD2 4.05Å
576	L	82.6	Confident	76	Confident	17 Å²	17	55.3 Å²	55.3	9%	0.089	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-49.1	176.3	-178.5	64.8	0	0	0	111.6	L499 M502 R503 A506 P572 Y573 L574 K579 Y580	L499-L576 HydrophobicContact CD2-CD2 4.2Å; M502-L576 HydrophobicContact CB-CD2 4.42Å; M502-L576 HydrophobicContact CG-CD2 4.42Å; M502-L576 HydrophobicContact SD-CD2 4.44Å; R503-L576 HydrophobicContact CB-CD1 4.31Å; R503-L576 HydrophobicContact CB-CD2 4.29Å; A506-L576 HydrophobicContact CB-CD1 3.37Å; P572-L576 WeakPolarHBondContact O-CB 3.37Å; P572-L576 PolarHBondContact O-N 2.82Å; Y573-L576 PolarHBondContact O-N 3.05Å; L574-L576 VanDerWaalsContact C-N 3.33Å; L574-L576 PolarHBondContact O-N 3.37Å; L576-K579 PolarHBondContact O-N 3.28Å; L576-Y580 PolarHBondContact O-N 3.36Å; L576-Y580 VanDerWaalsContact O-N 3.1Å
577	L	84.8	Confident	78.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.9	-42.8	-179.1	-67.1	166.9	0	0	0	112.3	L499 M502 V522 L523 L526 Y573 L574 K579 Y580 D581 F585	L499-L577 HydrophobicContact CD2-CD2 4.27Å; M502-L577 HydrophobicContact CE-CD2 4.24Å; M502-L577 HydrophobicContact SD-CD2 4.33Å; V522-L577 HydrophobicContact CG1-CD2 4.12Å; L523-L577 HydrophobicContact CD2-CD2 4.21Å; L526-L577 HydrophobicContact CD1-CD1 3.74Å; L526-L577 HydrophobicContact CD1-CD2 3.99Å; Y573-L577 VanDerWaalsContact O-CG 3.32Å; Y573-L577 WeakPolarHBondContact O-CG 3.14Å; Y573-L577 PolarHBondContact O-N 3.36Å; L574-L577 PolarHBondContact O-N 3.44Å; L577-K579 VanDerWaalsContact C-N 3.33Å; L577-K579 PolarHBondContact O-N 2.91Å; L577-Y580 PolarHBondContact O-N 3.1Å; L577-D581 PolarHBondContact O-N 3.38Å; L577-D581 VanDerWaalsContact O-N 3.11Å; L577-F585 HydrophobicContact CB-CB 4.45Å; L577-F585 HydrophobicContact CB-CD1 4.36Å; L577-F585 HydrophobicContact CB-CD2 3.88Å; L577-F585 HydrophobicContact CB-CE2 4.26Å; L577-F585 HydrophobicContact CB-CG 3.95Å; L577-F585 HydrophobicContact CD1-CD2 3.85Å; L577-F585 HydrophobicContact CD1-CE2 3.62Å; L577-F585 HydrophobicContact CD1-CZ 4.32Å; L577-F585 HydrophobicContact CG-CD2 4.33Å
578	L	83.6	Confident	80	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-69.3	-26.7	177.6	-69.8	166.7	0	0	0	113.6	L574 P582 F585 L586 L614 M618	L574-L578 WeakPolarHBondContact O-CB 3.5Å; L574-L578 VanDerWaalsContact O-CG 3.3Å; L574-L578 WeakPolarHBondContact O-CG 3.26Å; L574-L578 PolarHBondContact O-N 2.83Å; L578-P582 HydrophobicContact CD2-CB 4.42Å; L578-P582 WeakPolarHBondContact O-CD 3.42Å; L578-F585 HydrophobicContact CD2-CD1 3.74Å; L578-F585 HydrophobicContact CD2-CE1 4.14Å; L578-F585 HydrophobicContact CG-CD1 4.1Å; L578-F585 HydrophobicContact CG-CE1 4.27Å; L578-L586 HydrophobicContact CD2-CD1 4.35Å; L578-L586 HydrophobicContact CD2-CD2 4.01Å; L578-L586 HydrophobicContact CD2-CG 4.18Å; L578-L614 HydrophobicContact CD1-CB 4.27Å; L578-M618 HydrophobicContact CB-CE 3.71Å; L578-M618 HydrophobicContact CD1-CE 3.86Å; L578-M618 HydrophobicContact CG-CE 4.38Å
579	K	82.1	Confident	81.7	Confident	94 Å²	94	38.4 Å²	38.4	41%	0.409	18%	0.18	S	C	.	.	H	α-helix	trans	-77.5	-33.5	173.4	-76.9	173.2	-177.7	176.4	0	112.7	R575 L576 L577 M618	R575-K579 VanDerWaalsContact O-CB 3.28Å; R575-K579 WeakPolarHBondContact O-CB 3.47Å; R575-K579 WeakPolarHBondContact O-CG 3.39Å; R575-K579 PolarHBondContact O-N 3.47Å; L576-K579 PolarHBondContact O-N 3.28Å; L577-K579 VanDerWaalsContact C-N 3.33Å; L577-K579 PolarHBondContact O-N 2.91Å; K579-M618 HydrophobicContact CG-SD 4.28Å
580	Y	83.3	Confident	82.9	Confident	22 Å²	22	34.4 Å²	34.4	9%	0.086	16%	0.161	C	C	.	.	H	α-helix	trans	-77.9	-57.5	-178.5	174.9	-96.6	0	0	0	112.8	M502 F505 F511 Q516 L523 L576 L577	M502-Y580 VanDerWaalsContact CE-CB 3.44Å; M502-Y580 HydrophobicContact CE-CD1 3.3Å; M502-Y580 HydrophobicContact CE-CD2 3.78Å; M502-Y580 HydrophobicContact CE-CE1 3.98Å; M502-Y580 HydrophobicContact CE-CE2 4.38Å; M502-Y580 HydrophobicContact CE-CG 3.19Å; F505-Y580 HydrophobicContact CE2-CD2 4.34Å; F505-Y580 AromaticContact CE2-CE2 3.96Å; F505-Y580 HydrophobicContact CE2-CE2 3.96Å; F511-Y580 HydrophobicContact CD1-CE2 4.31Å; F511-Y580 HydrophobicContact CD2-CE2 4.1Å; F511-Y580 HydrophobicContact CE1-CD2 4.03Å; F511-Y580 HydrophobicContact CE1-CE2 4.03Å; F511-Y580 HydrophobicContact CE2-CD2 4.07Å; F511-Y580 AromaticContact CE2-CE2 3.8Å; F511-Y580 HydrophobicContact CE2-CE2 3.8Å; F511-Y580 HydrophobicContact CG-CE2 4.35Å; F511-Y580 AromaticContact CZ-CD2 3.66Å; F511-Y580 HydrophobicContact CZ-CD2 3.66Å; F511-Y580 AromaticContact CZ-CE2 3.77Å; F511-Y580 HydrophobicContact CZ-CE2 3.77Å; Q516-Y580 PolarHBondContact O-OH 3.17Å; L523-Y580 HydrophobicContact CD1-CD1 4.49Å; L523-Y580 HydrophobicContact CD1-CE1 4.3Å; L576-Y580 PolarHBondContact O-N 3.36Å; L576-Y580 VanDerWaalsContact O-N 3.1Å; L577-Y580 PolarHBondContact O-N 3.1Å
581	D	83.9	Confident	83.6	Confident	39 Å²	39	32.3 Å²	32.3	21%	0.209	16%	0.157	C	C	.	.			trans	-150.5	91	178	-170.5	-29.5	0	0	0	109.8	L523 L577 Q583 Q584 F585	L523-D581 HydrophobicContact CD1-CB 4.34Å; L577-D581 PolarHBondContact O-N 3.38Å; L577-D581 VanDerWaalsContact O-N 3.11Å; D581-Q583 PolarHBondContact O-N 3.04Å; D581-Q583 WeakPolarHBondContact OD1-CA 3.47Å; D581-Q583 WeakPolarHBondContact OD1-CB 3.49Å; D581-Q583 PolarHBondContact OD1-N 3.35Å; D581-Q584 HydrophobicContact CB-CB 4.43Å; D581-Q584 PolarHBondContact OD1-N 3.26Å; D581-Q584 WeakPolarHBondContact OD2-CG 3.37Å; D581-F585 VanDerWaalsContact O-CB 3.3Å; D581-F585 WeakPolarHBondContact O-CB 3.41Å; D581-F585 PolarHBondContact O-N 2.86Å; D581-F585 VanDerWaalsContact O-N 3.13Å
582	P	84	Confident	83.9	Confident	13 Å²	13	29.8 Å²	29.8	8%	0.084	15%	0.147	C	C	.	.	H	α-helix	trans	-68	-25.3	179	27.1	-33	0	0	0	112.3	L578 L586 L622	L578-P582 HydrophobicContact CD2-CB 4.42Å; L578-P582 WeakPolarHBondContact O-CD 3.42Å; P582-L586 VanDerWaalsContact O-CB 3.26Å; P582-L586 WeakPolarHBondContact O-CB 3.47Å; P582-L586 WeakPolarHBondContact O-CD1 3.36Å; P582-L586 WeakPolarHBondContact O-CG 3.28Å; P582-L586 PolarHBondContact O-N 3.1Å; P582-L622 HydrophobicContact CG-CB 4.03Å
583	Q	86.1	Confident	84	Confident	92 Å²	92	28.8 Å²	28.8	43%	0.43	14%	0.141	S	C	.	.	H	α-helix	trans	-69.5	-55.7	-180	-177.9	173.6	7	0	0	110.4	D581 L586 N587	D581-Q583 PolarHBondContact O-N 3.04Å; D581-Q583 WeakPolarHBondContact OD1-CA 3.47Å; D581-Q583 WeakPolarHBondContact OD1-CB 3.49Å; D581-Q583 PolarHBondContact OD1-N 3.35Å; Q583-L586 PolarHBondContact O-N 2.91Å; Q583-N587 WeakPolarHBondContact O-CB 3.5Å; Q583-N587 PolarHBondContact O-N 3.34Å; Q583-N587 PolarHBondContact O-ND2 3.27Å
584	Q	85.5	Confident	83.7	Confident	89 Å²	89	31.4 Å²	31.4	42%	0.416	16%	0.156	S	C	.	.	H	α-helix	trans	-70.2	-38.2	-176.4	-61.9	-65	2.4	0	0	111.6	L523 D581 N587 V588	L523-Q584 HydrophobicContact CD1-CB 3.81Å; D581-Q584 HydrophobicContact CB-CB 4.43Å; D581-Q584 PolarHBondContact OD1-N 3.26Å; D581-Q584 WeakPolarHBondContact OD2-CG 3.37Å; Q584-N587 PolarHBondContact O-N 3.21Å; Q584-V588 WeakPolarHBondContact O-CG2 3.38Å; Q584-V588 PolarHBondContact O-N 3.28Å
585	F	88.8	Confident	83.6	Confident	2 Å²	2	33 Å²	33	1%	0.009	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-47.4	175.1	176.2	-110	0	0	0	112.2	L523 L574 L577 L578 D581 N587 V588 V589 F607 I611	L523-F585 HydrophobicContact CD2-CB 3.93Å; L523-F585 HydrophobicContact CD2-CD2 4.28Å; L574-F585 HydrophobicContact CD2-CE1 3.96Å; L574-F585 HydrophobicContact CD2-CZ 3.58Å; L577-F585 HydrophobicContact CB-CB 4.45Å; L577-F585 HydrophobicContact CB-CD1 4.36Å; L577-F585 HydrophobicContact CB-CD2 3.88Å; L577-F585 HydrophobicContact CB-CE2 4.26Å; L577-F585 HydrophobicContact CB-CG 3.95Å; L577-F585 HydrophobicContact CD1-CD2 3.85Å; L577-F585 HydrophobicContact CD1-CE2 3.62Å; L577-F585 HydrophobicContact CD1-CZ 4.32Å; L577-F585 HydrophobicContact CG-CD2 4.33Å; L578-F585 HydrophobicContact CD2-CD1 3.74Å; L578-F585 HydrophobicContact CD2-CE1 4.14Å; L578-F585 HydrophobicContact CG-CD1 4.1Å; L578-F585 HydrophobicContact CG-CE1 4.27Å; D581-F585 VanDerWaalsContact O-CB 3.3Å; D581-F585 WeakPolarHBondContact O-CB 3.41Å; D581-F585 PolarHBondContact O-N 2.86Å; D581-F585 VanDerWaalsContact O-N 3.13Å; F585-N587 VanDerWaalsContact C-N 3.32Å; F585-N587 PolarHBondContact O-N 3.48Å; F585-V588 WeakPolarHBondContact O-CB 3.42Å; F585-V588 PolarHBondContact O-N 2.92Å; F585-V588 VanDerWaalsContact O-N 3.14Å; F585-V589 HydrophobicContact CE1-CG2 4.16Å; F585-V589 HydrophobicContact CE2-CG2 4.27Å; F585-V589 HydrophobicContact CZ-CG2 3.94Å; F585-V589 PolarHBondContact O-N 3.16Å; F585-V589 VanDerWaalsContact O-N 3.11Å; F585-F607 HydrophobicContact CZ-CZ 4.43Å; F585-I611 HydrophobicContact CE1-CD1 4.44Å
586	L	86.7	Confident	83.1	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-69.9	-29.9	180	-63.2	174.6	0	0	0	112.1	L578 P582 Q583 V589 S590 I611 H626 F627 L630	L578-L586 HydrophobicContact CD2-CD1 4.35Å; L578-L586 HydrophobicContact CD2-CD2 4.01Å; L578-L586 HydrophobicContact CD2-CG 4.18Å; P582-L586 VanDerWaalsContact O-CB 3.26Å; P582-L586 WeakPolarHBondContact O-CB 3.47Å; P582-L586 WeakPolarHBondContact O-CD1 3.36Å; P582-L586 WeakPolarHBondContact O-CG 3.28Å; P582-L586 PolarHBondContact O-N 3.1Å; Q583-L586 PolarHBondContact O-N 2.91Å; L586-V589 PolarHBondContact O-N 3.33Å; L586-S590 PolarHBondContact O-N 2.94Å; L586-I611 HydrophobicContact CD2-CD1 4.18Å; L586-I611 HydrophobicContact CD2-CG2 3.7Å; L586-H626 HydrophobicContact CD1-CB 3.78Å; L586-F627 HydrophobicContact CD1-CB 4.44Å; L586-L630 HydrophobicContact CB-CB 4.5Å; L586-L630 HydrophobicContact CB-CD2 4.21Å; L586-L630 HydrophobicContact CD2-CD2 3.74Å; L586-L630 HydrophobicContact CG-CD2 4.45Å
587	N	86.8	Confident	82.9	Confident	57 Å²	57	36.7 Å²	36.7	31%	0.305	19%	0.189	S	C	.	.	H	α-helix	trans	-62.9	-38.5	168.8	-72.5	-21.9	0	0	0	112.6	Q583 Q584 F585 V589 S590 T591	Q583-N587 WeakPolarHBondContact O-CB 3.5Å; Q583-N587 PolarHBondContact O-N 3.34Å; Q583-N587 PolarHBondContact O-ND2 3.27Å; Q584-N587 PolarHBondContact O-N 3.21Å; F585-N587 VanDerWaalsContact C-N 3.32Å; F585-N587 PolarHBondContact O-N 3.48Å; N587-V589 VanDerWaalsContact C-N 3.35Å; N587-S590 PolarHBondContact O-N 3.36Å; N587-T591 WeakPolarHBondContact O-CB 3.4Å; N587-T591 PolarHBondContact O-N 2.89Å; N587-T591 PolarHBondContact O-OG1 2.88Å
588	V	85.4	Confident	82.7	Confident	13 Å²	13	36.8 Å²	36.8	8%	0.079	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-42.6	173.4	169.8	0	0	0	0	110.7	N527 L530 Q584 F585 T591 C592	N527-V588 HydrophobicContact CB-CB 4.42Å; N527-V588 HydrophobicContact CB-CG1 3.73Å; N527-V588 HydrophobicContact CB-CG2 3.89Å; L530-V588 HydrophobicContact CD1-CG1 4.44Å; Q584-V588 WeakPolarHBondContact O-CG2 3.38Å; Q584-V588 PolarHBondContact O-N 3.28Å; F585-V588 WeakPolarHBondContact O-CB 3.42Å; F585-V588 PolarHBondContact O-N 2.92Å; F585-V588 VanDerWaalsContact O-N 3.14Å; V588-T591 PolarHBondContact O-N 3.08Å; V588-C592 WeakPolarHBondContact O-CB 3.2Å; V588-C592 PolarHBondContact O-N 3.48Å; V588-C592 PolarHBondContact O-SG 2.64Å
589	V	85.4	Confident	82.3	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.012	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-45.1	174.6	-179.5	0	0	0	0	111.5	F585 L586 N587 T591 C592 A593 F607 I611 L630	F585-V589 HydrophobicContact CE1-CG2 4.16Å; F585-V589 HydrophobicContact CE2-CG2 4.27Å; F585-V589 HydrophobicContact CZ-CG2 3.94Å; F585-V589 PolarHBondContact O-N 3.16Å; F585-V589 VanDerWaalsContact O-N 3.11Å; L586-V589 PolarHBondContact O-N 3.33Å; N587-V589 VanDerWaalsContact C-N 3.35Å; V589-T591 VanDerWaalsContact C-N 3.31Å; V589-T591 PolarHBondContact O-N 3.08Å; V589-C592 PolarHBondContact O-N 3.03Å; V589-A593 PolarHBondContact O-N 3.38Å; V589-F607 HydrophobicContact CG1-CD1 4.07Å; V589-F607 HydrophobicContact CG1-CE1 3.86Å; V589-F607 HydrophobicContact CG2-CE1 3.82Å; V589-I611 HydrophobicContact CG2-CD1 4.46Å; V589-L630 HydrophobicContact CG1-CD2 4.3Å
590	S	83.6	Confident	81.9	Confident	4 Å²	4	41.8 Å²	41.8	3%	0.028	22%	0.217	C	C	.	.	H	α-helix	trans	-58.5	-40.8	175.2	-171.1	0	0	0	0	112.4	L586 N587 Q633	L586-S590 PolarHBondContact O-N 2.94Å; N587-S590 PolarHBondContact O-N 3.36Å; S590-Q633 PolarHBondContact OG-OE1 3.14Å
591	T	83.8	Confident	81.4	Confident	78 Å²	78	45.5 Å²	45.5	48%	0.479	24%	0.238	S	C	.	.	H	α-helix	trans	-69.4	-37.7	178.4	-54.1	0	0	0	0	112.1	N587 V588 V589	N587-T591 WeakPolarHBondContact O-CB 3.4Å; N587-T591 PolarHBondContact O-N 2.89Å; N587-T591 PolarHBondContact O-OG1 2.88Å; V588-T591 PolarHBondContact O-N 3.08Å; V589-T591 VanDerWaalsContact C-N 3.31Å; V589-T591 PolarHBondContact O-N 3.08Å
592	C	82.6	Confident	81.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-84.1	-7.8	-179.1	-61.8	0	0	0	0	114	N527 L530 S531 V588 V589 D594 V595 F598	N527-C592 PolarHBondContact OD1-SG 3.31Å; N527-C592 VanDerWaalsContact OD1-SG 3.4Å; L530-C592 HydrophobicContact CB-CB 4.11Å; L530-C592 VanDerWaalsContact CB-SG 3.5Å; S531-C592 PolarHBondContact OG-SG 2.87Å; V588-C592 WeakPolarHBondContact O-CB 3.2Å; V588-C592 PolarHBondContact O-N 3.48Å; V588-C592 PolarHBondContact O-SG 2.64Å; V589-C592 PolarHBondContact O-N 3.03Å; C592-D594 PolarHBondContact O-N 2.91Å; C592-V595 HydrophobicContact CB-CG2 4.49Å; C592-V595 VanDerWaalsContact O-CB 3.25Å; C592-V595 WeakPolarHBondContact O-CB 3.45Å; C592-V595 VanDerWaalsContact O-CG2 3.23Å; C592-V595 WeakPolarHBondContact O-CG2 3.47Å; C592-V595 PolarHBondContact O-N 2.92Å; C592-F598 HydrophobicContact CB-CD2 4.43Å; C592-F598 HydrophobicContact CB-CE2 3.93Å; C592-F598 VanDerWaalsContact O-CD2 3.24Å; C592-F598 WeakPolarHBondContact O-CD2 3.4Å
593	A	79.3	Confident	81	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.1	-172.5	0	0	0	0	0	114.1	V589 V595 L604 L634 L639	V589-A593 PolarHBondContact O-N 3.38Å; A593-V595 PolarHBondContact O-N 3.4Å; A593-L604 HydrophobicContact CB-CD1 4.07Å; A593-L604 HydrophobicContact CB-CD2 3.9Å; A593-L634 HydrophobicContact CB-CD2 3.42Å; A593-L634 VanDerWaalsContact CB-CD2 3.42Å; A593-L639 HydrophobicContact CB-CD1 3.83Å
594	D	76	Confident	80.9	Confident	80 Å²	80	47.3 Å²	47.3	43%	0.428	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-6.1	178.2	-67.8	-60.1	0	0	0	113.7	C592 Q599 R637 L639	C592-D594 PolarHBondContact O-N 2.91Å; D594-Q599 PolarHBondContact O-NE2 3.21Å; D594-R637 IonicContact OD2-NH1 2.74Å; D594-R637 PolarHBondContact OD2-NH1 3Å; D594-L639 WeakPolarHBondContact OD1-CD1 3.4Å
595	V	79.2	Confident	80.8	Confident	35 Å²	35	45 Å²	45	21%	0.212	24%	0.235	C	C	.	.	S	Bend	trans	-73.3	137.5	-178.5	179	0	0	0	0	110.8	C592 A593 L597 F598	C592-V595 HydrophobicContact CB-CG2 4.49Å; C592-V595 VanDerWaalsContact O-CB 3.25Å; C592-V595 WeakPolarHBondContact O-CB 3.45Å; C592-V595 VanDerWaalsContact O-CG2 3.23Å; C592-V595 WeakPolarHBondContact O-CG2 3.47Å; C592-V595 PolarHBondContact O-N 2.92Å; A593-V595 PolarHBondContact O-N 3.4Å; V595-L597 HydrophobicContact CG1-CB 4.16Å; V595-L597 PolarHBondContact O-N 3.02Å; V595-F598 HydrophobicContact CB-CD2 4.4Å; V595-F598 PolarHBondContact O-N 3.08Å
596	L	72.6	Confident	80.5	Confident	130 Å²	130	52.4 Å²	52.4	68%	0.681	26%	0.263	S	S	*	.	H	α-helix	trans	-47.1	-31.1	179.4	-69.3	171.5	0	0	0	114.4	F598 L600	L596-F598 VanDerWaalsContact C-N 3.32Å; L596-F598 PolarHBondContact O-N 3.17Å; L596-L600 WeakPolarHBondContact O-CD1 3.46Å; L596-L600 VanDerWaalsContact O-CG 3.26Å; L596-L600 WeakPolarHBondContact O-CG 3.24Å; L596-L600 PolarHBondContact O-N 3.18Å
597	L	78.4	Confident	80.5	Confident	16 Å²	16	52.7 Å²	52.7	8%	0.084	26%	0.264	C	S	.	.	H	α-helix	trans	-56.5	-43.9	175.5	-178.3	75.3	0	0	0	112.8	P549 L550 F553 V595 R603	P549-L597 HydrophobicContact CB-CB 4.45Å; P549-L597 HydrophobicContact CB-CD2 3.84Å; P549-L597 VanDerWaalsContact O-CD2 3.32Å; P549-L597 WeakPolarHBondContact O-CD2 3.48Å; L550-L597 HydrophobicContact CB-CD1 3.88Å; L550-L597 HydrophobicContact CD1-CD1 3.82Å; L550-L597 HydrophobicContact CG-CD1 4.46Å; F553-L597 HydrophobicContact CB-CD2 3.81Å; F553-L597 HydrophobicContact CG-CD2 4.26Å; V595-L597 HydrophobicContact CG1-CB 4.16Å; V595-L597 PolarHBondContact O-N 3.02Å; L597-R603 WeakPolarHBondContact O-CD 3.44Å; L597-R603 PolarHBondContact O-NH1 3.14Å
598	F	78.8	Confident	80.4	Confident	3 Å²	3	50 Å²	50	1%	0.013	25%	0.249	C	C	.	.	H	α-helix	trans	-83.1	-29.7	-171.6	-79.3	-71.2	0	0	0	112.5	L530 F553 C592 V595 L596 L600 L604 F607	L530-F598 HydrophobicContact CD2-CE2 4.49Å; L530-F598 HydrophobicContact CD2-CZ 4.4Å; F553-F598 AromaticContact CD2-CE1 3.82Å; F553-F598 HydrophobicContact CD2-CE1 3.82Å; F553-F598 HydrophobicContact CD2-CZ 4.02Å; F553-F598 AromaticContact CE2-CE1 3.83Å; F553-F598 HydrophobicContact CE2-CE1 3.83Å; F553-F598 HydrophobicContact CE2-CZ 4.48Å; C592-F598 HydrophobicContact CB-CD2 4.43Å; C592-F598 HydrophobicContact CB-CE2 3.93Å; C592-F598 VanDerWaalsContact O-CD2 3.24Å; C592-F598 WeakPolarHBondContact O-CD2 3.4Å; V595-F598 HydrophobicContact CB-CD2 4.4Å; V595-F598 PolarHBondContact O-N 3.08Å; L596-F598 VanDerWaalsContact C-N 3.32Å; L596-F598 PolarHBondContact O-N 3.17Å; F598-L600 VanDerWaalsContact C-N 3.32Å; F598-L604 HydrophobicContact CB-CB 4.07Å; F598-L604 HydrophobicContact CB-CD1 4.23Å; F598-L604 HydrophobicContact CD1-CB 4.39Å; F598-L604 HydrophobicContact CD1-CD1 3.88Å; F598-L604 HydrophobicContact CG-CD1 4.2Å; F598-L604 WeakPolarHBondContact O-CB 3.43Å; F598-L604 PolarHBondContact O-N 3.29Å; F598-F607 AromaticContact CE1-CD1 3.93Å; F598-F607 HydrophobicContact CE1-CD1 3.93Å; F598-F607 HydrophobicContact CE1-CE1 4.29Å; F598-F607 HydrophobicContact CE1-CG 4.42Å
599	Q	75.9	Confident	80.4	Confident	108 Å²	108	51.2 Å²	51.2	51%	0.505	26%	0.256	S	S	.	.	H	α-helix	trans	-70.6	-24.5	173.6	-64.2	-179.2	-11.8	0	0	113.2	D594	D594-Q599 PolarHBondContact O-NE2 3.21Å
600	L	74.5	Confident	80.3	Confident	92 Å²	92	52.3 Å²	52.3	48%	0.482	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-73	141	176.6	-71.1	165.3	0	0	0	111.8	L596 F598 N602 R603	L596-L600 WeakPolarHBondContact O-CD1 3.46Å; L596-L600 VanDerWaalsContact O-CG 3.26Å; L596-L600 WeakPolarHBondContact O-CG 3.24Å; L596-L600 PolarHBondContact O-N 3.18Å; F598-L600 VanDerWaalsContact C-N 3.32Å; L600-N602 PolarHBondContact O-N 3.12Å; L600-R603 WeakPolarHBondContact O-CB 3.33Å; L600-R603 VanDerWaalsContact O-CD 3.26Å; L600-R603 WeakPolarHBondContact O-CD 3.38Å; L600-R603 WeakPolarHBondContact O-CG 3.32Å; L600-R603 PolarHBondContact O-N 3.44Å
601	D	72.1	Confident	80.4	Confident	100 Å²	100	52.1 Å²	52.1	54%	0.535	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	50.8	26.8	173.7	-44	-47.4	0	0	0	116.5	R603	D601-R603 HydrophobicContact CB-CG 4.22Å; D601-R603 PolarHBondContact O-N 2.92Å; D601-R603 IonicContact OD2-CZ 3.72Å; D601-R603 VanDerWaalsContact OD2-CZ 3.27Å; D601-R603 IonicContact OD2-NE 2.74Å; D601-R603 PolarHBondContact OD2-NE 2.84Å; D601-R603 VanDerWaalsContact OD2-NE 3.08Å; D601-R603 IonicContact OD2-NH2 3.6Å; D601-R603 PolarHBondContact OD2-NH2 2.96Å
602	N	77.1	Confident	80.4	Confident	117 Å²	117	48.4 Å²	48.4	63%	0.626	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	52.2	34.3	-171.4	-60.7	-10.4	0	0	0	112.9	L600 L604 Q605 R606	L600-N602 PolarHBondContact O-N 3.12Å; N602-L604 VanDerWaalsContact C-N 3.32Å; N602-L604 PolarHBondContact O-N 3.04Å; N602-Q605 HydrophobicContact CB-CB 4.38Å; N602-Q605 WeakPolarHBondContact O-CB 3.4Å; N602-Q605 PolarHBondContact O-N 3.46Å; N602-R606 PolarHBondContact O-N 3.26Å
603	R	82.6	Confident	80.5	Confident	58 Å²	58	52.9 Å²	52.9	22%	0.219	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-37.2	-178.1	-71.1	164.1	-160.8	178.2	6	112.1	L597 L600 D601 Q605 R606 F607	L597-R603 WeakPolarHBondContact O-CD 3.44Å; L597-R603 PolarHBondContact O-NH1 3.14Å; L600-R603 WeakPolarHBondContact O-CB 3.33Å; L600-R603 VanDerWaalsContact O-CD 3.26Å; L600-R603 WeakPolarHBondContact O-CD 3.38Å; L600-R603 WeakPolarHBondContact O-CG 3.32Å; L600-R603 PolarHBondContact O-N 3.44Å; D601-R603 HydrophobicContact CB-CG 4.22Å; D601-R603 PolarHBondContact O-N 2.92Å; D601-R603 IonicContact OD2-CZ 3.72Å; D601-R603 VanDerWaalsContact OD2-CZ 3.27Å; D601-R603 IonicContact OD2-NE 2.74Å; D601-R603 PolarHBondContact OD2-NE 2.84Å; D601-R603 VanDerWaalsContact OD2-NE 3.08Å; D601-R603 IonicContact OD2-NH2 3.6Å; D601-R603 PolarHBondContact OD2-NH2 2.96Å; R603-Q605 PolarHBondContact O-N 2.98Å; R603-R606 PolarHBondContact O-N 3.41Å; R603-F607 VanDerWaalsContact O-CB 3.27Å; R603-F607 WeakPolarHBondContact O-CB 3.34Å; R603-F607 PolarHBondContact O-N 3.3Å
604	L	83.9	Confident	80.7	Confident	7 Å²	7	53.2 Å²	53.2	4%	0.037	26%	0.261	C	S	.	.	H	α-helix	trans	-57	-48.6	175.1	-170.6	59.8	0	0	0	111.7	A593 F598 N602 F607 V608 L639 I640	A593-L604 HydrophobicContact CB-CD1 4.07Å; A593-L604 HydrophobicContact CB-CD2 3.9Å; F598-L604 HydrophobicContact CB-CB 4.07Å; F598-L604 HydrophobicContact CB-CD1 4.23Å; F598-L604 HydrophobicContact CD1-CB 4.39Å; F598-L604 HydrophobicContact CD1-CD1 3.88Å; F598-L604 HydrophobicContact CG-CD1 4.2Å; F598-L604 WeakPolarHBondContact O-CB 3.43Å; F598-L604 PolarHBondContact O-N 3.29Å; N602-L604 VanDerWaalsContact C-N 3.32Å; N602-L604 PolarHBondContact O-N 3.04Å; L604-F607 PolarHBondContact O-N 3.46Å; L604-V608 HydrophobicContact CD1-CG2 4.38Å; L604-V608 WeakPolarHBondContact O-CG2 3.44Å; L604-V608 PolarHBondContact O-N 3.48Å; L604-L639 HydrophobicContact CD2-CB 3.9Å; L604-I640 HydrophobicContact CB-CG2 4.36Å; L604-I640 HydrophobicContact CD2-CG2 3.63Å; L604-I640 HydrophobicContact CG-CG2 3.66Å
605	Q	82.9	Confident	81.1	Confident	41 Å²	41	49.4 Å²	49.4	19%	0.192	24%	0.241	C	C	.	.	H	α-helix	trans	-55.3	-56.6	177.6	-171	71.2	51.6	0	0	110.7	N602 R603 F607 V608 D609 A641	N602-Q605 HydrophobicContact CB-CB 4.38Å; N602-Q605 WeakPolarHBondContact O-CB 3.4Å; N602-Q605 PolarHBondContact O-N 3.46Å; R603-Q605 PolarHBondContact O-N 2.98Å; Q605-F607 PolarHBondContact O-N 3.18Å; Q605-V608 PolarHBondContact O-N 3.24Å; Q605-V608 VanDerWaalsContact O-N 3.12Å; Q605-D609 PolarHBondContact NE2-OD1 3.05Å; Q605-D609 PolarHBondContact O-N 3Å; Q605-A641 PolarHBondContact NE2-O 3.34Å; Q605-A641 PolarHBondContact OE1-O 3.06Å
606	R	83.7	Confident	81.2	Confident	157 Å²	157	49.1 Å²	49.1	59%	0.592	24%	0.239	S	C	*	.	H	α-helix	trans	-58.8	-34.6	-179.3	-63.6	179	-173	155.2	7.5	112.8	N602 R603 T610	N602-R606 PolarHBondContact O-N 3.26Å; R603-R606 PolarHBondContact O-N 3.41Å; R606-T610 WeakPolarHBondContact O-CB 3.44Å; R606-T610 PolarHBondContact O-N 2.97Å; R606-T610 PolarHBondContact O-OG1 3.07Å
607	F	85.6	Confident	81.8	Confident	8 Å²	8	48.6 Å²	48.6	4%	0.035	24%	0.237	C	C	.	.	H	α-helix	trans	-71.7	-43.8	178.4	-171.2	-119.2	0	0	0	111.6	F553 L574 F585 V589 F598 R603 L604 Q605 T610 I611	F553-F607 HydrophobicContact CD2-CE2 4.47Å; F553-F607 HydrophobicContact CE2-CB 4.25Å; F553-F607 HydrophobicContact CE2-CD1 4.5Å; F553-F607 AromaticContact CE2-CD2 3.58Å; F553-F607 HydrophobicContact CE2-CD2 3.58Å; F553-F607 AromaticContact CE2-CE2 3.94Å; F553-F607 HydrophobicContact CE2-CE2 3.94Å; F553-F607 AromaticContact CE2-CG 3.88Å; F553-F607 HydrophobicContact CE2-CG 3.88Å; F553-F607 HydrophobicContact CZ-CD2 4.2Å; L574-F607 HydrophobicContact CD1-CE2 4.17Å; L574-F607 HydrophobicContact CD2-CE2 3.96Å; L574-F607 HydrophobicContact CD2-CZ 3.97Å; F585-F607 HydrophobicContact CZ-CZ 4.43Å; V589-F607 HydrophobicContact CG1-CD1 4.07Å; V589-F607 HydrophobicContact CG1-CE1 3.86Å; V589-F607 HydrophobicContact CG2-CE1 3.82Å; F598-F607 AromaticContact CE1-CD1 3.93Å; F598-F607 HydrophobicContact CE1-CD1 3.93Å; F598-F607 HydrophobicContact CE1-CE1 4.29Å; F598-F607 HydrophobicContact CE1-CG 4.42Å; R603-F607 VanDerWaalsContact O-CB 3.27Å; R603-F607 WeakPolarHBondContact O-CB 3.34Å; R603-F607 PolarHBondContact O-N 3.3Å; L604-F607 PolarHBondContact O-N 3.46Å; Q605-F607 PolarHBondContact O-N 3.18Å; F607-T610 PolarHBondContact O-N 3.33Å; F607-I611 HydrophobicContact CD1-CD1 3.85Å; F607-I611 HydrophobicContact CE1-CD1 3.66Å; F607-I611 HydrophobicContact CG-CD1 4.39Å; F607-I611 HydrophobicContact CZ-CD1 4.05Å; F607-I611 WeakPolarHBondContact O-CG1 3.37Å; F607-I611 PolarHBondContact O-N 3.48Å
608	V	85.5	Confident	81.8	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-41.2	173.1	174.3	0	0	0	0	111.1	L604 Q605 T610 I611 G612 F627 V631 L634 I640 P643	L604-V608 HydrophobicContact CD1-CG2 4.38Å; L604-V608 WeakPolarHBondContact O-CG2 3.44Å; L604-V608 PolarHBondContact O-N 3.48Å; Q605-V608 PolarHBondContact O-N 3.24Å; Q605-V608 VanDerWaalsContact O-N 3.12Å; V608-T610 PolarHBondContact O-N 3.35Å; V608-I611 PolarHBondContact O-N 3.23Å; V608-G612 PolarHBondContact O-N 2.82Å; V608-F627 HydrophobicContact CG1-CE2 3.99Å; V608-V631 HydrophobicContact CG1-CG2 4.16Å; V608-L634 HydrophobicContact CG2-CD1 3.72Å; V608-I640 HydrophobicContact CG1-CD1 4.01Å; V608-I640 HydrophobicContact CG2-CD1 4.45Å; V608-I640 HydrophobicContact CG2-CG2 4.49Å; V608-P643 HydrophobicContact CG1-CG 4.34Å
609	D	84.8	Confident	81.8	Confident	39 Å²	39	56.8 Å²	56.8	21%	0.209	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-43.9	175.1	-56.8	-28.5	0	0	0	110.9	Q605 G612 Q613	Q605-D609 PolarHBondContact NE2-OD1 3.05Å; Q605-D609 PolarHBondContact O-N 3Å; D609-G612 PolarHBondContact O-N 2.9Å; D609-Q613 WeakPolarHBondContact O-CG 3.44Å; D609-Q613 PolarHBondContact O-N 3.43Å
610	T	84.4	Confident	82	Confident	26 Å²	26	54.2 Å²	54.2	16%	0.16	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-42.8	176.2	-56.4	0	0	0	0	111.7	Y571 L574 R606 F607 V608 L614	Y571-T610 HydrophobicContact CD2-CG2 4.04Å; Y571-T610 HydrophobicContact CE1-CG2 4.41Å; Y571-T610 HydrophobicContact CE2-CG2 3.69Å; L574-T610 HydrophobicContact CD1-CG2 4.44Å; R606-T610 WeakPolarHBondContact O-CB 3.44Å; R606-T610 PolarHBondContact O-N 2.97Å; R606-T610 PolarHBondContact O-OG1 3.07Å; F607-T610 PolarHBondContact O-N 3.33Å; V608-T610 PolarHBondContact O-N 3.35Å; T610-L614 HydrophobicContact CG2-CD1 4.31Å; T610-L614 VanDerWaalsContact O-CG 3.32Å; T610-L614 WeakPolarHBondContact O-CG 3.5Å; T610-L614 PolarHBondContact O-N 3.19Å
611	I	85.5	Confident	82.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.8	-45.5	174.7	-70.9	167.7	0	0	0	110.5	F585 L586 V589 F607 V608 Q613 L614 C615 F627	F585-I611 HydrophobicContact CE1-CD1 4.44Å; L586-I611 HydrophobicContact CD2-CD1 4.18Å; L586-I611 HydrophobicContact CD2-CG2 3.7Å; V589-I611 HydrophobicContact CG2-CD1 4.46Å; F607-I611 HydrophobicContact CD1-CD1 3.85Å; F607-I611 HydrophobicContact CE1-CD1 3.66Å; F607-I611 HydrophobicContact CG-CD1 4.39Å; F607-I611 HydrophobicContact CZ-CD1 4.05Å; F607-I611 WeakPolarHBondContact O-CG1 3.37Å; F607-I611 PolarHBondContact O-N 3.48Å; V608-I611 PolarHBondContact O-N 3.23Å; I611-Q613 PolarHBondContact O-N 3.27Å; I611-L614 PolarHBondContact O-N 3.34Å; I611-L614 VanDerWaalsContact O-N 3.13Å; I611-C615 PolarHBondContact O-N 2.67Å; I611-C615 PolarHBondContact O-SG 3.43Å; I611-C615 VanDerWaalsContact O-SG 3.39Å; I611-F627 HydrophobicContact CG2-CD2 3.87Å; I611-F627 HydrophobicContact CG2-CE2 4.36Å
612	G	82.3	Confident	82.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59	-46.3	178.5	0	0	0	0	0	112.4	V608 D609 L614 C615 V616	V608-G612 PolarHBondContact O-N 2.82Å; D609-G612 PolarHBondContact O-N 2.9Å; G612-L614 VanDerWaalsContact C-N 3.33Å; G612-L614 PolarHBondContact O-N 3.31Å; G612-C615 PolarHBondContact O-N 3.08Å; G612-V616 WeakPolarHBondContact O-CG2 3.32Å; G612-V616 PolarHBondContact O-N 3.48Å
613	Q	85.2	Confident	83.2	Confident	94 Å²	94	43 Å²	43	44%	0.439	21%	0.206	S	C	.	.	H	α-helix	trans	-59.9	-41.6	173.8	-69.8	171.5	21.8	0	0	112	D609 I611 N617 H646	D609-Q613 WeakPolarHBondContact O-CG 3.44Å; D609-Q613 PolarHBondContact O-N 3.43Å; I611-Q613 PolarHBondContact O-N 3.27Å; Q613-N617 VanDerWaalsContact O-CB 3.29Å; Q613-N617 WeakPolarHBondContact O-CB 3.08Å; Q613-N617 PolarHBondContact O-N 3.4Å; Q613-N617 PolarHBondContact O-ND2 2.61Å; Q613-H646 VanDerWaalsContact CG-CE1 3.5Å; Q613-H646 WeakPolarHBondContact CG-CE1 3.29Å; Q613-H646 PolarHBondContact NE2-NE2 3.27Å
614	L	83.3	Confident	83.3	Confident	7 Å²	7	40.3 Å²	40.3	4%	0.037	20%	0.196	C	C	.	.	H	α-helix	trans	-65.7	-44.9	176	-72.3	171.6	0	0	0	112	Y571 L574 R575 L578 T610 I611 G612 N617 M618	Y571-L614 HydrophobicContact CD2-CD1 4.43Å; L574-L614 HydrophobicContact CB-CD1 3.85Å; L574-L614 HydrophobicContact CD1-CD1 4.07Å; R575-L614 HydrophobicContact CG-CD2 4.05Å; L578-L614 HydrophobicContact CD1-CB 4.27Å; T610-L614 HydrophobicContact CG2-CD1 4.31Å; T610-L614 VanDerWaalsContact O-CG 3.32Å; T610-L614 WeakPolarHBondContact O-CG 3.5Å; T610-L614 PolarHBondContact O-N 3.19Å; I611-L614 PolarHBondContact O-N 3.34Å; I611-L614 VanDerWaalsContact O-N 3.13Å; G612-L614 VanDerWaalsContact C-N 3.33Å; G612-L614 PolarHBondContact O-N 3.31Å; L614-N617 PolarHBondContact O-N 3.37Å; L614-M618 WeakPolarHBondContact O-CB 3.39Å; L614-M618 VanDerWaalsContact O-CG 3.31Å; L614-M618 WeakPolarHBondContact O-CG 3.02Å; L614-M618 PolarHBondContact O-N 3.24Å
615	C	84.5	Confident	83.3	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-45.3	178.7	-69.8	0	0	0	0	112.4	I611 G612 N617 M618 K619 L624 F627	I611-C615 PolarHBondContact O-N 2.67Å; I611-C615 PolarHBondContact O-SG 3.43Å; I611-C615 VanDerWaalsContact O-SG 3.39Å; G612-C615 PolarHBondContact O-N 3.08Å; C615-N617 VanDerWaalsContact C-N 3.34Å; C615-N617 PolarHBondContact O-N 2.94Å; C615-M618 PolarHBondContact O-N 3.38Å; C615-K619 PolarHBondContact O-N 3.04Å; C615-K619 VanDerWaalsContact O-N 3.13Å; C615-L624 HydrophobicContact CB-CD2 4.06Å; C615-F627 HydrophobicContact CB-CB 4.41Å
616	V	82.7	Confident	83.5	Confident	29 Å²	29	39.6 Å²	39.6	18%	0.176	19%	0.193	C	C	.	.	H	α-helix	trans	-62.8	-40.2	175.6	173.5	0	0	0	0	111.4	G612 K619 L624 D649	G612-V616 WeakPolarHBondContact O-CG2 3.32Å; G612-V616 PolarHBondContact O-N 3.48Å; V616-K619 WeakPolarHBondContact O-CG 3.37Å; V616-L624 HydrophobicContact CG2-CD2 4.21Å; V616-D649 HydrophobicContact CG1-CB 4.42Å; V616-D649 HydrophobicContact CG2-CB 4.28Å
617	N	83.7	Confident	83.7	Confident	119 Å²	119	32.1 Å²	32.1	64%	0.636	17%	0.165	S	C	*	.	H	α-helix	trans	-68.5	-35.5	177.2	-77.7	-41.2	0	0	0	113.3	Q613 L614 C615	Q613-N617 VanDerWaalsContact O-CB 3.29Å; Q613-N617 WeakPolarHBondContact O-CB 3.08Å; Q613-N617 PolarHBondContact O-N 3.4Å; Q613-N617 PolarHBondContact O-ND2 2.61Å; L614-N617 PolarHBondContact O-N 3.37Å; C615-N617 VanDerWaalsContact C-N 3.34Å; C615-N617 PolarHBondContact O-N 2.94Å
618	M	78.6	Confident	83.7	Confident	46 Å²	46	31.8 Å²	31.8	23%	0.227	16%	0.163	C	C	.	.	H	α-helix	trans	-76.5	-24.1	179.4	-71.4	-175.6	-54.6	0	0	113.8	L578 K579 L614 C615 C620	L578-M618 HydrophobicContact CB-CE 3.71Å; L578-M618 HydrophobicContact CD1-CE 3.86Å; L578-M618 HydrophobicContact CG-CE 4.38Å; K579-M618 HydrophobicContact CG-SD 4.28Å; L614-M618 WeakPolarHBondContact O-CB 3.39Å; L614-M618 VanDerWaalsContact O-CG 3.31Å; L614-M618 WeakPolarHBondContact O-CG 3.02Å; L614-M618 PolarHBondContact O-N 3.24Å; C615-M618 PolarHBondContact O-N 3.38Å; M618-C620 PolarHBondContact O-N 3.42Å
619	K	78.4	Confident	83.7	Confident	145 Å²	145	33.8 Å²	33.8	63%	0.63	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	30.4	178.9	-54.9	178.3	-176.6	173.8	0	114.6	C615 V616 M657	C615-K619 PolarHBondContact O-N 3.04Å; C615-K619 VanDerWaalsContact O-N 3.13Å; V616-K619 WeakPolarHBondContact O-CG 3.37Å; K619-M657 WeakPolarHBondContact O-CE 3.32Å
620	C	80.9	Confident	83.8	Confident	53 Å²	53	32.1 Å²	32.1	36%	0.358	17%	0.165	S	C	.	.			trans	-88.1	127.6	175.1	175.4	0	0	0	0	110.1	M618 L622 S623 L624	M618-C620 PolarHBondContact O-N 3.42Å; C620-L622 PolarHBondContact O-N 3.21Å; C620-S623 PolarHBondContact O-N 3.43Å; C620-L624 WeakPolarHBondContact O-CG 3.12Å; C620-L624 PolarHBondContact O-N 2.78Å; C620-L624 VanDerWaalsContact O-N 3.13Å
621	E	80.9	Confident	83.9	Confident	11 Å²	11	31 Å²	31	5%	0.051	16%	0.158	C	C	.	.	H	α-helix	trans	-55.4	-51.1	-179.1	-180	172.1	165.3	0	0	111.2	S623 L624 I625 L654 M657 E661 H662 T665	E621-S623 PolarHBondContact O-N 2.88Å; E621-L624 PolarHBondContact O-N 2.71Å; E621-I625 HydrophobicContact CG-CD1 3.66Å; E621-I625 HydrophobicContact CG-CG1 4.44Å; E621-I625 VanDerWaalsContact O-CG1 3.31Å; E621-I625 WeakPolarHBondContact O-CG1 3.34Å; E621-I625 PolarHBondContact O-N 3.27Å; E621-L654 HydrophobicContact CG-CD2 4.04Å; E621-M657 HydrophobicContact CB-CE 3.87Å; E621-E661 PolarHBondContact OE1-N 3.14Å; E621-E661 PolarHBondContact OE2-N 3.03Å; E621-H662 PolarHBondContact OE1-N 2.91Å; E621-H662 VanDerWaalsContact OE1-N 3.12Å; E621-H662 IonicContact OE1-ND1 2.64Å; E621-T665 PolarHBondContact OE1-OG1 3.21Å
622	L	82.7	Confident	83.8	Confident	62 Å²	62	31.4 Å²	31.4	33%	0.325	16%	0.16	S	C	.	.	H	α-helix	trans	-60.1	-44.3	179.2	-72.5	173.4	0	0	0	113.2	P582 C620 L624 I625 H626	P582-L622 HydrophobicContact CG-CB 4.03Å; C620-L622 PolarHBondContact O-N 3.21Å; L622-L624 VanDerWaalsContact C-N 3.28Å; L622-L624 PolarHBondContact O-N 3.27Å; L622-I625 PolarHBondContact O-N 3.13Å; L622-H626 PolarHBondContact O-CD2 3.03Å; L622-H626 PolarHBondContact O-N 3.31Å
623	S	84.3	Confident	84	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.014	17%	0.174	C	C	.	.	H	α-helix	trans	-61.7	-37.2	178.6	-63.5	0	0	0	0	112.2	C620 E621 F627	C620-S623 PolarHBondContact O-N 3.43Å; E621-S623 PolarHBondContact O-N 2.88Å; S623-F627 WeakPolarHBondContact O-CB 3.46Å; S623-F627 PolarHBondContact O-N 3.03Å; S623-F627 VanDerWaalsContact O-N 3.08Å
624	L	84.9	Confident	84	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-73	-43.7	178.1	-68.5	168.7	0	0	0	111.7	C615 V616 C620 E621 L622 F627 L628 T653 L654 M657	C615-L624 HydrophobicContact CB-CD2 4.06Å; V616-L624 HydrophobicContact CG2-CD2 4.21Å; C620-L624 WeakPolarHBondContact O-CG 3.12Å; C620-L624 PolarHBondContact O-N 2.78Å; C620-L624 VanDerWaalsContact O-N 3.13Å; E621-L624 PolarHBondContact O-N 2.71Å; L622-L624 VanDerWaalsContact C-N 3.28Å; L622-L624 PolarHBondContact O-N 3.27Å; L624-F627 PolarHBondContact O-N 3.45Å; L624-L628 WeakPolarHBondContact O-CG 3.18Å; L624-L628 PolarHBondContact O-N 2.65Å; L624-T653 HydrophobicContact CD1-CG2 3.73Å; L624-L654 HydrophobicContact CB-CD1 4.06Å; L624-L654 HydrophobicContact CB-CD2 3.86Å; L624-L654 HydrophobicContact CB-CG 3.93Å; L624-L654 HydrophobicContact CD1-CD2 4.06Å; L624-L654 HydrophobicContact CD1-CG 4.16Å; L624-M657 HydrophobicContact CD1-SD 4.39Å
625	I	85.7	Confident	83.9	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-58.4	-51.3	176.1	-69.7	164.6	0	0	0	110.9	E621 L622 F627 L628 N629 L654 H662 T665	E621-I625 HydrophobicContact CG-CD1 3.66Å; E621-I625 HydrophobicContact CG-CG1 4.44Å; E621-I625 VanDerWaalsContact O-CG1 3.31Å; E621-I625 WeakPolarHBondContact O-CG1 3.34Å; E621-I625 PolarHBondContact O-N 3.27Å; L622-I625 PolarHBondContact O-N 3.13Å; I625-F627 VanDerWaalsContact C-N 3.33Å; I625-F627 PolarHBondContact O-N 3.19Å; I625-L628 PolarHBondContact O-N 2.75Å; I625-N629 PolarHBondContact O-N 3.12Å; I625-N629 VanDerWaalsContact O-N 3.08Å; I625-N629 PolarHBondContact O-ND2 2.77Å; I625-L654 HydrophobicContact CG1-CD1 4.37Å; I625-L654 HydrophobicContact CG1-CD2 4.38Å; I625-H662 HydrophobicContact CD1-CB 4.29Å; I625-T665 HydrophobicContact CD1-CG2 4.29Å; I625-T665 WeakPolarHBondContact CD1-OG1 3.25Å; I625-T665 HydrophobicContact CG1-CG2 4.34Å
626	H	86.3	Confident	83.9	Confident	32 Å²	32	36.3 Å²	36.3	15%	0.148	19%	0.186	C	C	.	.	H	α-helix	trans	-72.2	-27.3	-178	-67.2	-64	0	0	0	112.7	L586 L622 L630	L586-H626 HydrophobicContact CD1-CB 3.78Å; L622-H626 PolarHBondContact O-CD2 3.03Å; L622-H626 PolarHBondContact O-N 3.31Å; H626-L630 WeakPolarHBondContact O-CB 3.47Å; H626-L630 PolarHBondContact O-N 3.4Å
627	F	87.8	Confident	83.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-46.4	169.1	174	-107.7	0	0	0	112.4	L586 V608 I611 C615 S623 L624 I625 N629 L630 V631 P643 H646	L586-F627 HydrophobicContact CD1-CB 4.44Å; V608-F627 HydrophobicContact CG1-CE2 3.99Å; I611-F627 HydrophobicContact CG2-CD2 3.87Å; I611-F627 HydrophobicContact CG2-CE2 4.36Å; C615-F627 HydrophobicContact CB-CB 4.41Å; S623-F627 WeakPolarHBondContact O-CB 3.46Å; S623-F627 PolarHBondContact O-N 3.03Å; S623-F627 VanDerWaalsContact O-N 3.08Å; L624-F627 PolarHBondContact O-N 3.45Å; I625-F627 VanDerWaalsContact C-N 3.33Å; I625-F627 PolarHBondContact O-N 3.19Å; F627-N629 VanDerWaalsContact C-N 3.32Å; F627-N629 PolarHBondContact O-N 3.25Å; F627-L630 PolarHBondContact O-N 3.05Å; F627-V631 HydrophobicContact CD2-CG2 4.3Å; F627-V631 HydrophobicContact CE1-CG2 4.08Å; F627-V631 HydrophobicContact CE2-CG2 3.78Å; F627-V631 HydrophobicContact CZ-CG2 3.65Å; F627-V631 WeakPolarHBondContact O-CG2 3.33Å; F627-V631 PolarHBondContact O-N 2.92Å; F627-P643 HydrophobicContact CZ-CG 4.37Å; F627-H646 HydrophobicContact CE1-CB 4.25Å; F627-H646 HydrophobicContact CZ-CB 4.21Å
628	L	85.7	Confident	83.6	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-58.3	-44.9	175.4	-71.9	-178.8	0	0	0	111.4	L624 I625 L630 V631 V632 V647 V651 L654 I669 A672	L624-L628 WeakPolarHBondContact O-CG 3.18Å; L624-L628 PolarHBondContact O-N 2.65Å; I625-L628 PolarHBondContact O-N 2.75Å; L628-L630 PolarHBondContact O-N 3.08Å; L628-V631 PolarHBondContact O-N 3.23Å; L628-V632 WeakPolarHBondContact O-CG2 3.26Å; L628-V632 PolarHBondContact O-N 2.91Å; L628-V647 HydrophobicContact CD2-CB 4.37Å; L628-V647 HydrophobicContact CD2-CG1 3.9Å; L628-V647 HydrophobicContact CD2-CG2 4.4Å; L628-V651 HydrophobicContact CD1-CG2 3.95Å; L628-V651 HydrophobicContact CD2-CG2 4.21Å; L628-L654 HydrophobicContact CD1-CD1 3.74Å; L628-I669 HydrophobicContact CD1-CG1 4.47Å; L628-A672 HydrophobicContact CB-CB 4.24Å; L628-A672 HydrophobicContact CD1-CB 4.29Å; L628-A672 HydrophobicContact CD2-CB 3.99Å; L628-A672 HydrophobicContact CG-CB 4.41Å
629	N	85.9	Confident	83.6	Confident	42 Å²	42	41.2 Å²	41.2	23%	0.225	21%	0.207	C	C	.	.	H	α-helix	trans	-64.2	-38	177.2	-70.2	-41	0	0	0	112.7	I625 F627 Q633 S668	I625-N629 PolarHBondContact O-N 3.12Å; I625-N629 VanDerWaalsContact O-N 3.08Å; I625-N629 PolarHBondContact O-ND2 2.77Å; F627-N629 VanDerWaalsContact C-N 3.32Å; F627-N629 PolarHBondContact O-N 3.25Å; N629-Q633 WeakPolarHBondContact O-CG 3.41Å; N629-Q633 PolarHBondContact O-N 3.38Å; N629-Q633 VanDerWaalsContact O-N 3.07Å; N629-S668 PolarHBondContact ND2-OG 3.44Å; N629-S668 VanDerWaalsContact ND2-OG 3.15Å
630	L	86	Confident	83.7	Confident	4 Å²	4	35 Å²	35	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-62.8	-45.9	173.3	177.1	65.3	0	0	0	111.6	L586 V589 H626 F627 L628 V632 Q633 L634	L586-L630 HydrophobicContact CB-CB 4.5Å; L586-L630 HydrophobicContact CB-CD2 4.21Å; L586-L630 HydrophobicContact CD2-CD2 3.74Å; L586-L630 HydrophobicContact CG-CD2 4.45Å; V589-L630 HydrophobicContact CG1-CD2 4.3Å; H626-L630 WeakPolarHBondContact O-CB 3.47Å; H626-L630 PolarHBondContact O-N 3.4Å; F627-L630 PolarHBondContact O-N 3.05Å; L628-L630 PolarHBondContact O-N 3.08Å; L630-V632 VanDerWaalsContact C-N 3.34Å; L630-V632 PolarHBondContact O-N 3.27Å; L630-Q633 PolarHBondContact O-N 3.25Å; L630-L634 HydrophobicContact CD1-CD1 3.77Å; L630-L634 HydrophobicContact CD1-CD2 4.49Å; L630-L634 HydrophobicContact CD1-CG 3.9Å; L630-L634 HydrophobicContact CD2-CD1 4.45Å; L630-L634 HydrophobicContact CG-CD1 3.88Å; L630-L634 HydrophobicContact CG-CG 4.32Å; L630-L634 WeakPolarHBondContact O-CG 3.47Å; L630-L634 PolarHBondContact O-N 2.77Å
631	V	86.2	Confident	83.6	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.012	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-44.2	179.2	170.6	0	0	0	0	110.9	V608 F627 L628 L634 S635 P643 V647 V676	V608-V631 HydrophobicContact CG1-CG2 4.16Å; F627-V631 HydrophobicContact CD2-CG2 4.3Å; F627-V631 HydrophobicContact CE1-CG2 4.08Å; F627-V631 HydrophobicContact CE2-CG2 3.78Å; F627-V631 HydrophobicContact CZ-CG2 3.65Å; F627-V631 WeakPolarHBondContact O-CG2 3.33Å; F627-V631 PolarHBondContact O-N 2.92Å; L628-V631 PolarHBondContact O-N 3.23Å; V631-L634 PolarHBondContact O-N 2.86Å; V631-S635 VanDerWaalsContact O-CB 3.26Å; V631-S635 WeakPolarHBondContact O-CB 3.26Å; V631-S635 PolarHBondContact O-N 2.76Å; V631-S635 PolarHBondContact O-OG 2.91Å; V631-P643 HydrophobicContact CG1-CG 4.43Å; V631-P643 HydrophobicContact CG2-CG 4.09Å; V631-V647 HydrophobicContact CB-CG2 4.35Å; V631-V647 HydrophobicContact CG1-CG2 3.76Å; V631-V647 HydrophobicContact CG2-CG2 4.37Å; V631-V676 HydrophobicContact CG1-CG2 4.45Å
632	V	84.9	Confident	83.4	Confident	8 Å²	8	37.3 Å²	37.3	5%	0.048	20%	0.201	C	C	.	.	H	α-helix	trans	-56.6	-56.1	174.5	171.4	0	0	0	0	110.4	L628 L630 L634 S635 E636 T671 A672 H675	L628-V632 WeakPolarHBondContact O-CG2 3.26Å; L628-V632 PolarHBondContact O-N 2.91Å; L630-V632 VanDerWaalsContact C-N 3.34Å; L630-V632 PolarHBondContact O-N 3.27Å; V632-L634 VanDerWaalsContact C-N 3.32Å; V632-L634 PolarHBondContact O-N 3.11Å; V632-S635 PolarHBondContact O-N 2.75Å; V632-S635 PolarHBondContact O-OG 2.82Å; V632-E636 HydrophobicContact CG1-CG 4.28Å; V632-E636 WeakPolarHBondContact O-CG 3.29Å; V632-E636 PolarHBondContact O-N 3.27Å; V632-T671 HydrophobicContact CG1-CG2 4.18Å; V632-A672 HydrophobicContact CG2-CB 4.4Å; V632-H675 HydrophobicContact CG2-CB 4.37Å
633	Q	85.1	Confident	83.4	Confident	64 Å²	64	35 Å²	35	30%	0.299	19%	0.19	S	C	.	.	H	α-helix	trans	-55.7	-41.7	-179.2	-72.6	176.6	9.9	0	0	113.7	S590 N629 L630 R637	S590-Q633 PolarHBondContact OG-OE1 3.14Å; N629-Q633 WeakPolarHBondContact O-CG 3.41Å; N629-Q633 PolarHBondContact O-N 3.38Å; N629-Q633 VanDerWaalsContact O-N 3.07Å; L630-Q633 PolarHBondContact O-N 3.25Å; Q633-R637 WeakPolarHBondContact O-CG 3.27Å; Q633-R637 PolarHBondContact O-N 3.12Å
634	L	84.7	Confident	83.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-75.1	-30	179.6	-65.4	-179.9	0	0	0	112.5	A593 V608 L630 V631 V632 V638 L639 I640	A593-L634 HydrophobicContact CB-CD2 3.42Å; A593-L634 VanDerWaalsContact CB-CD2 3.42Å; V608-L634 HydrophobicContact CG2-CD1 3.72Å; L630-L634 HydrophobicContact CD1-CD1 3.77Å; L630-L634 HydrophobicContact CD1-CD2 4.49Å; L630-L634 HydrophobicContact CD1-CG 3.9Å; L630-L634 HydrophobicContact CD2-CD1 4.45Å; L630-L634 HydrophobicContact CG-CD1 3.88Å; L630-L634 HydrophobicContact CG-CG 4.32Å; L630-L634 WeakPolarHBondContact O-CG 3.47Å; L630-L634 PolarHBondContact O-N 2.77Å; V631-L634 PolarHBondContact O-N 2.86Å; V632-L634 VanDerWaalsContact C-N 3.32Å; V632-L634 PolarHBondContact O-N 3.11Å; L634-V638 PolarHBondContact O-N 2.77Å; L634-L639 HydrophobicContact CD2-CD1 4.01Å; L634-L639 PolarHBondContact O-N 2.93Å; L634-I640 HydrophobicContact CB-CD1 3.63Å; L634-I640 HydrophobicContact CB-CG1 3.73Å; L634-I640 HydrophobicContact CB-CG2 4.44Å; L634-I640 HydrophobicContact CD1-CD1 4.06Å; L634-I640 HydrophobicContact CD1-CG2 4.4Å
635	S	83.1	Confident	83	Confident	24 Å²	24	43.9 Å²	43.9	17%	0.168	23%	0.232	C	C	.	.	H	α-helix	trans	-73.8	-40.4	175.5	72.5	0	0	0	0	112.6	V631 V632 R637 V638	V631-S635 VanDerWaalsContact O-CB 3.26Å; V631-S635 WeakPolarHBondContact O-CB 3.26Å; V631-S635 PolarHBondContact O-N 2.76Å; V631-S635 PolarHBondContact O-OG 2.91Å; V632-S635 PolarHBondContact O-N 2.75Å; V632-S635 PolarHBondContact O-OG 2.82Å; S635-R637 VanDerWaalsContact C-N 3.27Å; S635-R637 PolarHBondContact O-N 2.83Å; S635-V638 PolarHBondContact O-N 3.24Å
636	E	83	Confident	82.8	Confident	116 Å²	116	45 Å²	45	54%	0.542	24%	0.237	S	C	.	.	H	α-helix	trans	-59.6	-37.3	173.4	-73.5	177.4	168.6	0	0	111.8	V632 V638 H675	V632-E636 HydrophobicContact CG1-CG 4.28Å; V632-E636 WeakPolarHBondContact O-CG 3.29Å; V632-E636 PolarHBondContact O-N 3.27Å; E636-V638 VanDerWaalsContact C-N 3.27Å; E636-V638 PolarHBondContact O-N 2.87Å; E636-H675 IonicContact OE1-CE1 3.13Å; E636-H675 PolarHBondContact OE1-CE1 3.36Å; E636-H675 IonicContact OE1-NE2 2.71Å; E636-H675 PolarHBondContact OE1-NE2 2.98Å
637	R	81.4	Confident	82.6	Confident	123 Å²	123	43.7 Å²	43.7	46%	0.464	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-3.1	174.4	-65.4	-174.3	-167.1	-178.5	14.2	114.2	D594 Q633 S635 L639	D594-R637 IonicContact OD2-NH1 2.74Å; D594-R637 PolarHBondContact OD2-NH1 3Å; Q633-R637 WeakPolarHBondContact O-CG 3.27Å; Q633-R637 PolarHBondContact O-N 3.12Å; S635-R637 VanDerWaalsContact C-N 3.27Å; S635-R637 PolarHBondContact O-N 2.83Å; R637-L639 HydrophobicContact CB-CD1 3.82Å; R637-L639 HydrophobicContact CB-CG 3.75Å; R637-L639 PolarHBondContact O-N 3.34Å
638	V	78.9	Confident	82.4	Confident	128 Å²	128	44.6 Å²	44.6	78%	0.776	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	33.7	-177.8	-157.2	0	0	0	0	112.6	L634 S635 E636	L634-V638 PolarHBondContact O-N 2.77Å; S635-V638 PolarHBondContact O-N 3.24Å; E636-V638 VanDerWaalsContact C-N 3.27Å; E636-V638 PolarHBondContact O-N 2.87Å
639	L	78.4	Confident	82.2	Confident	46 Å²	46	47.2 Å²	47.2	24%	0.241	25%	0.25	C	C	.	.	S	Bend	trans	-90.2	-23.4	-179.2	-64.9	175.5	0	0	0	113.4	A593 D594 L604 L634 R637	A593-L639 HydrophobicContact CB-CD1 3.83Å; D594-L639 WeakPolarHBondContact OD1-CD1 3.4Å; L604-L639 HydrophobicContact CD2-CB 3.9Å; L634-L639 HydrophobicContact CD2-CD1 4.01Å; L634-L639 PolarHBondContact O-N 2.93Å; R637-L639 HydrophobicContact CB-CD1 3.82Å; R637-L639 HydrophobicContact CB-CG 3.75Å; R637-L639 PolarHBondContact O-N 3.34Å
640	I	81.1	Confident	82.1	Confident	15 Å²	15	45.2 Å²	45.2	8%	0.077	24%	0.239	C	C	.	.	S	Bend	trans	-134.3	157	177.3	65.3	175.5	0	0	0	110.5	L604 V608 L634	L604-I640 HydrophobicContact CB-CG2 4.36Å; L604-I640 HydrophobicContact CD2-CG2 3.63Å; L604-I640 HydrophobicContact CG-CG2 3.66Å; V608-I640 HydrophobicContact CG1-CD1 4.01Å; V608-I640 HydrophobicContact CG2-CD1 4.45Å; V608-I640 HydrophobicContact CG2-CG2 4.49Å; L634-I640 HydrophobicContact CB-CD1 3.63Å; L634-I640 HydrophobicContact CB-CG1 3.73Å; L634-I640 HydrophobicContact CB-CG2 4.44Å; L634-I640 HydrophobicContact CD1-CD1 4.06Å; L634-I640 HydrophobicContact CD1-CG2 4.4Å
641	A	78.6	Confident	81.9	Confident	63 Å²	63	45 Å²	45	52%	0.521	24%	0.238	S	C	.	.			trans	-76.7	134.3	157.3	0	0	0	0	0	108.2	Q605 P643	Q605-A641 PolarHBondContact NE2-O 3.34Å; Q605-A641 PolarHBondContact OE1-O 3.06Å; A641-P643 WeakPolarHBondContact O-CD 3.26Å
642	P	76.6	Confident	81.8	Confident	50 Å²	50	45.3 Å²	45.3	33%	0.325	24%	0.239	S	C	.	.			trans	-63.4	125.3	-179	25	-33.1	0	0	0	110.2	I644 V676	P642-I644 VanDerWaalsContact C-N 3.31Å; P642-I644 WeakPolarHBondContact O-CG1 3.44Å; P642-I644 PolarHBondContact O-N 3.13Å; P642-V676 HydrophobicContact CB-CB 4.46Å; P642-V676 HydrophobicContact CB-CG1 4.07Å; P642-V676 HydrophobicContact CB-CG2 3.6Å; P642-V676 HydrophobicContact CG-CG2 4.48Å
643	P	82.3	Confident	81.7	Confident	13 Å²	13	46.2 Å²	46.2	8%	0.084	25%	0.245	C	C	.	.			trans	-76.5	81.9	179.7	30.9	-34.9	0	0	0	110.5	V608 F627 V631 A641 E645 H646 V647	V608-P643 HydrophobicContact CG1-CG 4.34Å; F627-P643 HydrophobicContact CZ-CG 4.37Å; V631-P643 HydrophobicContact CG1-CG 4.43Å; V631-P643 HydrophobicContact CG2-CG 4.09Å; A641-P643 WeakPolarHBondContact O-CD 3.26Å; P643-E645 VanDerWaalsContact C-N 3.29Å; P643-E645 PolarHBondContact O-N 3.32Å; P643-H646 HydrophobicContact CB-CB 4.29Å; P643-H646 PolarHBondContact O-N 2.96Å; P643-H646 VanDerWaalsContact O-N 3.1Å; P643-V647 HydrophobicContact CG-CG2 4.42Å; P643-V647 WeakPolarHBondContact O-CG2 3.44Å; P643-V647 PolarHBondContact O-N 3.26Å
644	I	79.6	Confident	81.5	Confident	54 Å²	54	43.2 Å²	43.2	28%	0.277	23%	0.231	S	C	.	.	H	α-helix	trans	-50.7	-46	-171.7	-55.8	177.9	0	0	0	111.9	P642 V647 Q648 V676	P642-I644 VanDerWaalsContact C-N 3.31Å; P642-I644 WeakPolarHBondContact O-CG1 3.44Å; P642-I644 PolarHBondContact O-N 3.13Å; I644-V647 PolarHBondContact O-N 3.11Å; I644-Q648 WeakPolarHBondContact O-CB 3.32Å; I644-Q648 PolarHBondContact O-N 3.11Å; I644-V676 HydrophobicContact CB-CG1 4.49Å; I644-V676 HydrophobicContact CG1-CG1 4.08Å
645	E	82.3	Confident	81.3	Confident	134 Å²	134	43.5 Å²	43.5	63%	0.626	23%	0.233	S	C	*	.	H	α-helix	trans	-60.6	-49.7	179.2	-174.1	174.3	-164.9	0	0	112.2	P643 Q648 D649	P643-E645 VanDerWaalsContact C-N 3.29Å; P643-E645 PolarHBondContact O-N 3.32Å; E645-Q648 PolarHBondContact O-N 2.88Å; E645-D649 PolarHBondContact O-N 2.9Å
646	H	81.8	Confident	81.1	Confident	26 Å²	26	51.2 Å²	51.2	12%	0.12	26%	0.258	C	S	.	.	H	α-helix	trans	-71.1	-32.7	-178.7	-60.6	-29.3	0	0	0	113	Q613 F627 P643 S650	Q613-H646 VanDerWaalsContact CG-CE1 3.5Å; Q613-H646 WeakPolarHBondContact CG-CE1 3.29Å; Q613-H646 PolarHBondContact NE2-NE2 3.27Å; F627-H646 HydrophobicContact CE1-CB 4.25Å; F627-H646 HydrophobicContact CZ-CB 4.21Å; P643-H646 HydrophobicContact CB-CB 4.29Å; P643-H646 PolarHBondContact O-N 2.96Å; P643-H646 VanDerWaalsContact O-N 3.1Å; H646-S650 VanDerWaalsContact O-CB 3.26Å; H646-S650 WeakPolarHBondContact O-CB 3.43Å; H646-S650 PolarHBondContact O-N 2.73Å; H646-S650 PolarHBondContact O-OG 3.34Å
647	V	81.9	Confident	80.8	Confident	5 Å²	5	48.3 Å²	48.3	3%	0.03	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-47	171	170.9	0	0	0	0	110.5	L628 V631 P643 I644 S650 V651 A672 V676	L628-V647 HydrophobicContact CD2-CB 4.37Å; L628-V647 HydrophobicContact CD2-CG1 3.9Å; L628-V647 HydrophobicContact CD2-CG2 4.4Å; V631-V647 HydrophobicContact CB-CG2 4.35Å; V631-V647 HydrophobicContact CG1-CG2 3.76Å; V631-V647 HydrophobicContact CG2-CG2 4.37Å; P643-V647 HydrophobicContact CG-CG2 4.42Å; P643-V647 WeakPolarHBondContact O-CG2 3.44Å; P643-V647 PolarHBondContact O-N 3.26Å; I644-V647 PolarHBondContact O-N 3.11Å; V647-S650 PolarHBondContact O-N 3.29Å; V647-V651 WeakPolarHBondContact O-CG2 3.5Å; V647-V651 PolarHBondContact O-N 3.41Å; V647-A672 HydrophobicContact CG1-CB 4.44Å; V647-V676 HydrophobicContact CB-CG1 4.4Å; V647-V676 HydrophobicContact CG1-CB 4.21Å; V647-V676 HydrophobicContact CG1-CG1 4.22Å
648	Q	82.1	Confident	80.1	Confident	18 Å²	18	45.6 Å²	45.6	8%	0.084	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-47.4	178.6	-179.5	178.4	-83.4	0	0	111.7	I644 E645 S650 V651 I652 I684	I644-Q648 WeakPolarHBondContact O-CB 3.32Å; I644-Q648 PolarHBondContact O-N 3.11Å; E645-Q648 PolarHBondContact O-N 2.88Å; Q648-S650 VanDerWaalsContact C-N 3.33Å; Q648-S650 PolarHBondContact O-N 2.83Å; Q648-V651 PolarHBondContact O-N 2.63Å; Q648-I652 HydrophobicContact CG-CD1 3.78Å; Q648-I652 WeakPolarHBondContact O-CB 3.39Å; Q648-I652 VanDerWaalsContact O-CG1 3.27Å; Q648-I652 WeakPolarHBondContact O-CG1 3.27Å; Q648-I652 PolarHBondContact O-N 3.07Å; Q648-I684 HydrophobicContact CG-CD1 4.44Å
649	D	83	Confident	79.6	Confident	57 Å²	57	45 Å²	45	31%	0.305	24%	0.244	S	C	.	.	H	α-helix	trans	-66.7	-34	178.1	-79.7	-13.5	0	0	0	112.4	V616 E645 T653	V616-D649 HydrophobicContact CG1-CB 4.42Å; V616-D649 HydrophobicContact CG2-CB 4.28Å; E645-D649 PolarHBondContact O-N 2.9Å; D649-T653 VanDerWaalsContact O-CB 3.26Å; D649-T653 WeakPolarHBondContact O-CB 3.26Å; D649-T653 PolarHBondContact O-N 3.19Å; D649-T653 PolarHBondContact O-OG1 2.97Å
650	S	82.3	Confident	79.7	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-47.9	173.1	-62.5	0	0	0	0	111.7	H646 V647 Q648 T653 L654	H646-S650 VanDerWaalsContact O-CB 3.26Å; H646-S650 WeakPolarHBondContact O-CB 3.43Å; H646-S650 PolarHBondContact O-N 2.73Å; H646-S650 PolarHBondContact O-OG 3.34Å; V647-S650 PolarHBondContact O-N 3.29Å; Q648-S650 VanDerWaalsContact C-N 3.33Å; Q648-S650 PolarHBondContact O-N 2.83Å; S650-T653 PolarHBondContact O-N 3.36Å; S650-L654 WeakPolarHBondContact O-CG 3.32Å; S650-L654 PolarHBondContact O-N 2.84Å
651	V	83.4	Confident	79.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-43.5	176.5	169.5	0	0	0	0	111.5	L628 V647 Q648 T653 L654 L655 I669 I684	L628-V651 HydrophobicContact CD1-CG2 3.95Å; L628-V651 HydrophobicContact CD2-CG2 4.21Å; V647-V651 WeakPolarHBondContact O-CG2 3.5Å; V647-V651 PolarHBondContact O-N 3.41Å; Q648-V651 PolarHBondContact O-N 2.63Å; V651-T653 VanDerWaalsContact C-N 3.31Å; V651-T653 PolarHBondContact O-N 3.19Å; V651-L654 PolarHBondContact O-N 2.83Å; V651-L655 HydrophobicContact CG1-CD1 3.74Å; V651-L655 HydrophobicContact CG1-CG 4.35Å; V651-L655 WeakPolarHBondContact O-CB 3.45Å; V651-L655 VanDerWaalsContact O-CG 3.29Å; V651-L655 WeakPolarHBondContact O-CG 3.44Å; V651-L655 PolarHBondContact O-N 2.82Å; V651-I669 HydrophobicContact CG1-CG2 3.86Å; V651-I669 HydrophobicContact CG2-CG2 4.37Å; V651-I684 HydrophobicContact CG1-CG1 4.46Å; V651-I684 HydrophobicContact CG1-CG2 4.26Å
652	I	82.6	Confident	79	Confident	8 Å²	8	51.9 Å²	51.9	4%	0.041	26%	0.262	C	S	.	.	H	α-helix	trans	-64.4	-36.5	176.5	-70.5	170.3	0	0	0	111.2	Q648 R656 R683 I684	Q648-I652 HydrophobicContact CG-CD1 3.78Å; Q648-I652 WeakPolarHBondContact O-CB 3.39Å; Q648-I652 VanDerWaalsContact O-CG1 3.27Å; Q648-I652 WeakPolarHBondContact O-CG1 3.27Å; Q648-I652 PolarHBondContact O-N 3.07Å; I652-R656 WeakPolarHBondContact O-CD 3.43Å; I652-R656 VanDerWaalsContact O-CG 3.26Å; I652-R656 WeakPolarHBondContact O-CG 3.2Å; I652-R656 PolarHBondContact O-N 3.46Å; I652-R683 HydrophobicContact CD1-CB 4.05Å; I652-I684 HydrophobicContact CG1-CG1 4.19Å
653	T	83.1	Confident	78.8	Confident	27 Å²	27	55.2 Å²	55.2	17%	0.166	29%	0.286	C	S	.	.	H	α-helix	trans	-68.4	-47.3	177.1	-59.1	0	0	0	0	110.8	L624 D649 S650 V651 L655 R656 M657	L624-T653 HydrophobicContact CD1-CG2 3.73Å; D649-T653 VanDerWaalsContact O-CB 3.26Å; D649-T653 WeakPolarHBondContact O-CB 3.26Å; D649-T653 PolarHBondContact O-N 3.19Å; D649-T653 PolarHBondContact O-OG1 2.97Å; S650-T653 PolarHBondContact O-N 3.36Å; V651-T653 VanDerWaalsContact C-N 3.31Å; V651-T653 PolarHBondContact O-N 3.19Å; T653-L655 PolarHBondContact O-N 3.18Å; T653-R656 PolarHBondContact O-N 2.97Å; T653-R656 VanDerWaalsContact O-N 3.15Å; T653-M657 HydrophobicContact CG2-SD 4.16Å; T653-M657 WeakPolarHBondContact O-CG 3.24Å; T653-M657 PolarHBondContact O-N 3.38Å; T653-M657 VanDerWaalsContact O-N 3.13Å
654	L	81.8	Confident	78.4	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.4	-41.2	175.4	-72.4	173.3	0	0	0	112.9	E621 L624 I625 L628 S650 V651 R656 M657 W660 T665 I669	E621-L654 HydrophobicContact CG-CD2 4.04Å; L624-L654 HydrophobicContact CB-CD1 4.06Å; L624-L654 HydrophobicContact CB-CD2 3.86Å; L624-L654 HydrophobicContact CB-CG 3.93Å; L624-L654 HydrophobicContact CD1-CD2 4.06Å; L624-L654 HydrophobicContact CD1-CG 4.16Å; I625-L654 HydrophobicContact CG1-CD1 4.37Å; I625-L654 HydrophobicContact CG1-CD2 4.38Å; L628-L654 HydrophobicContact CD1-CD1 3.74Å; S650-L654 WeakPolarHBondContact O-CG 3.32Å; S650-L654 PolarHBondContact O-N 2.84Å; V651-L654 PolarHBondContact O-N 2.83Å; L654-R656 PolarHBondContact O-N 3.11Å; L654-M657 PolarHBondContact O-N 3.36Å; L654-W660 PolarHBondContact O-NE1 3.28Å; L654-T665 HydrophobicContact CB-CG2 4.43Å; L654-T665 HydrophobicContact CD1-CG2 4.39Å; L654-T665 HydrophobicContact CD2-CG2 4.09Å; L654-I669 HydrophobicContact CB-CD1 4.01Å; L654-I669 HydrophobicContact CD1-CD1 4.41Å; L654-I669 HydrophobicContact CD1-CG1 4.16Å
655	L	79.6	Confident	78.4	Confident	7 Å²	7	54.4 Å²	54.4	4%	0.037	29%	0.286	C	S	.	.	H	α-helix	trans	-66.1	-24.8	176.7	-73.1	168.1	0	0	0	113.2	V651 T653 W660 I669 I684 A687 A688 I696	V651-L655 HydrophobicContact CG1-CD1 3.74Å; V651-L655 HydrophobicContact CG1-CG 4.35Å; V651-L655 WeakPolarHBondContact O-CB 3.45Å; V651-L655 VanDerWaalsContact O-CG 3.29Å; V651-L655 WeakPolarHBondContact O-CG 3.44Å; V651-L655 PolarHBondContact O-N 2.82Å; T653-L655 PolarHBondContact O-N 3.18Å; L655-W660 HydrophobicContact CD2-CZ2 4.23Å; L655-I669 HydrophobicContact CD2-CD1 4.36Å; L655-I669 HydrophobicContact CG-CD1 4.43Å; L655-I684 HydrophobicContact CD1-CG2 3.93Å; L655-A687 HydrophobicContact CB-CB 3.82Å; L655-A687 HydrophobicContact CD1-CB 3.91Å; L655-A687 HydrophobicContact CG-CB 4.48Å; L655-A688 HydrophobicContact CD2-CB 4.36Å; L655-I696 HydrophobicContact CD2-CD1 3.97Å
656	R	80.3	Confident	78.3	Confident	186 Å²	186	50 Å²	50	70%	0.702	27%	0.265	S	S	*	.	H	α-helix	trans	-83.7	-20.8	174.4	-73.1	170.8	179.3	172.5	3	113.4	I652 T653 L654 S658	I652-R656 WeakPolarHBondContact O-CD 3.43Å; I652-R656 VanDerWaalsContact O-CG 3.26Å; I652-R656 WeakPolarHBondContact O-CG 3.2Å; I652-R656 PolarHBondContact O-N 3.46Å; T653-R656 PolarHBondContact O-N 2.97Å; T653-R656 VanDerWaalsContact O-N 3.15Å; L654-R656 PolarHBondContact O-N 3.11Å; R656-S658 PolarHBondContact O-N 3.13Å
657	M	75.6	Confident	78.3	Confident	54 Å²	54	53.9 Å²	53.9	27%	0.266	29%	0.287	S	S	.	.	S	Bend	trans	-81.3	93.6	174.3	-67.9	172.2	72.4	0	0	108.2	K619 E621 L624 T653 L654 W660	K619-M657 WeakPolarHBondContact O-CE 3.32Å; E621-M657 HydrophobicContact CB-CE 3.87Å; L624-M657 HydrophobicContact CD1-SD 4.39Å; T653-M657 HydrophobicContact CG2-SD 4.16Å; T653-M657 WeakPolarHBondContact O-CG 3.24Å; T653-M657 PolarHBondContact O-N 3.38Å; T653-M657 VanDerWaalsContact O-N 3.13Å; L654-M657 PolarHBondContact O-N 3.36Å; M657-W660 PolarHBondContact O-NE1 3.22Å; M657-W660 VanDerWaalsContact O-NE1 3.1Å
658	S	66.1	Low	78.2	Confident	67 Å²	67	54 Å²	54	47%	0.469	29%	0.288	S	S	.	.			trans	-129.1	127.3	177.2	178.4	0	0	0	0	109.7	R656	R656-S658 PolarHBondContact O-N 3.13Å
659	P	70.1	Confident	78.3	Confident	115 Å²	115	53.1 Å²	53.1	75%	0.747	28%	0.284	S	S	*	.	S	Bend	cis	-71.7	162.6	1.9	32	-36.7	0	0	0	113.7
660	W	78.6	Confident	78.2	Confident	37 Å²	37	51.8 Å²	51.8	14%	0.14	28%	0.276	C	S	.	.			trans	-84.2	140.6	167.4	-64.7	-35.2	0	0	0	109.7	L654 L655 M657 T665 E666 I669 R693 I696	L654-W660 PolarHBondContact O-NE1 3.28Å; L655-W660 HydrophobicContact CD2-CZ2 4.23Å; M657-W660 PolarHBondContact O-NE1 3.22Å; M657-W660 VanDerWaalsContact O-NE1 3.1Å; W660-T665 HydrophobicContact CD2-CG2 3.77Å; W660-T665 HydrophobicContact CE3-CG2 4.42Å; W660-T665 HydrophobicContact CG-CG2 3.83Å; W660-T665 HydrophobicContact CZ2-CG2 4.34Å; W660-E666 HydrophobicContact CH2-CB 4.23Å; W660-E666 HydrophobicContact CH2-CG 4.41Å; W660-E666 HydrophobicContact CZ3-CB 3.69Å; W660-E666 HydrophobicContact CZ3-CG 4.15Å; W660-I669 HydrophobicContact CH2-CD1 4.37Å; W660-I669 HydrophobicContact CZ2-CD1 3.92Å; W660-R693 HydrophobicContact CH2-CG 4.33Å; W660-R693 VanDerWaalsContact CZ3-NH1 3.26Å; W660-I696 HydrophobicContact CH2-CD1 4.08Å
661	E	70.9	Confident	78.1	Confident	165 Å²	165	54.4 Å²	54.4	77%	0.771	29%	0.293	S	S	*	.	S	Bend	trans	-79.7	-28.2	173.2	-66.2	179.9	172.6	0	0	111.6	E621	E621-E661 PolarHBondContact OE1-N 3.14Å; E621-E661 PolarHBondContact OE2-N 3.03Å
662	H	74.7	Confident	78	Confident	66 Å²	66	54.5 Å²	54.5	31%	0.306	29%	0.293	S	S	.	.			trans	-114.6	136.8	-173.7	-60	77.4	0	0	0	112.1	E621 I625 S664 T665	E621-H662 PolarHBondContact OE1-N 2.91Å; E621-H662 VanDerWaalsContact OE1-N 3.12Å; E621-H662 IonicContact OE1-ND1 2.64Å; I625-H662 HydrophobicContact CD1-CB 4.29Å; H662-S664 VanDerWaalsContact C-N 3.28Å; H662-S664 PolarHBondContact O-N 2.85Å; H662-T665 WeakPolarHBondContact O-CB 3.23Å; H662-T665 PolarHBondContact O-OG1 3.36Å
663	S	72	Confident	77.9	Confident	120 Å²	120	54.7 Å²	54.7	84%	0.839	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.5	177.7	65.4	0	0	0	0	113.7	T665	S663-T665 PolarHBondContact O-N 2.94Å
664	S	74.9	Confident	77.7	Confident	50 Å²	50	61.2 Å²	61.2	35%	0.35	32%	0.317	S	S	.	.	H	α-helix	trans	-73.6	-11.7	177.4	51.8	0	0	0	0	113.9	H662 N667 S668	H662-S664 VanDerWaalsContact C-N 3.28Å; H662-S664 PolarHBondContact O-N 2.85Å; S664-N667 PolarHBondContact O-N 3.21Å; S664-S668 PolarHBondContact O-N 2.9Å; S664-S668 PolarHBondContact O-OG 3.05Å; S664-S668 VanDerWaalsContact O-OG 3.04Å
665	T	80.1	Confident	77.3	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63	-42.1	-176.4	-51.1	0	0	0	0	112	E621 I625 L654 W660 H662 S663 I669	E621-T665 PolarHBondContact OE1-OG1 3.21Å; I625-T665 HydrophobicContact CD1-CG2 4.29Å; I625-T665 WeakPolarHBondContact CD1-OG1 3.25Å; I625-T665 HydrophobicContact CG1-CG2 4.34Å; L654-T665 HydrophobicContact CB-CG2 4.43Å; L654-T665 HydrophobicContact CD1-CG2 4.39Å; L654-T665 HydrophobicContact CD2-CG2 4.09Å; W660-T665 HydrophobicContact CD2-CG2 3.77Å; W660-T665 HydrophobicContact CE3-CG2 4.42Å; W660-T665 HydrophobicContact CG-CG2 3.83Å; W660-T665 HydrophobicContact CZ2-CG2 4.34Å; H662-T665 WeakPolarHBondContact O-CB 3.23Å; H662-T665 PolarHBondContact O-OG1 3.36Å; S663-T665 PolarHBondContact O-N 2.94Å; T665-I669 HydrophobicContact CG2-CD1 4.18Å; T665-I669 WeakPolarHBondContact O-CD1 3.39Å; T665-I669 VanDerWaalsContact O-CG1 3.29Å; T665-I669 WeakPolarHBondContact O-CG1 3.23Å; T665-I669 PolarHBondContact O-N 3.25Å; T665-I669 VanDerWaalsContact O-N 3.15Å
666	E	79.7	Confident	77.2	Confident	43 Å²	43	64.2 Å²	64.2	20%	0.201	33%	0.331	C	S	.	.	H	α-helix	trans	-63.3	-47.4	177.5	-165.7	158.6	-175	0	0	112	W660 I669 L670 T695 I696	W660-E666 HydrophobicContact CH2-CB 4.23Å; W660-E666 HydrophobicContact CH2-CG 4.41Å; W660-E666 HydrophobicContact CZ3-CB 3.69Å; W660-E666 HydrophobicContact CZ3-CG 4.15Å; E666-I669 PolarHBondContact O-N 3.1Å; E666-L670 WeakPolarHBondContact O-CG 3.3Å; E666-L670 PolarHBondContact O-N 2.9Å; E666-L670 VanDerWaalsContact O-N 3.08Å; E666-T695 WeakPolarHBondContact OE1-CB 3.44Å; E666-T695 PolarHBondContact OE1-OG1 3.36Å; E666-I696 HydrophobicContact CG-CD1 4.19Å; E666-I696 HydrophobicContact CG-CG1 4.15Å
667	N	80.6	Confident	76.8	Confident	106 Å²	106	60.2 Å²	60.2	57%	0.567	33%	0.327	S	S	*	.	H	α-helix	trans	-62.9	-46.8	178.6	-71.7	-21.9	0	0	0	111.5	S664 I669 L670 T671	S664-N667 PolarHBondContact O-N 3.21Å; N667-I669 VanDerWaalsContact C-N 3.27Å; N667-I669 PolarHBondContact O-N 3.28Å; N667-L670 WeakPolarHBondContact O-CB 3.12Å; N667-L670 PolarHBondContact O-N 3.22Å; N667-L670 VanDerWaalsContact O-N 3.08Å; N667-T671 PolarHBondContact O-N 3.01Å; N667-T671 PolarHBondContact O-OG1 3.47Å
668	S	81.1	Confident	76.7	Confident	7 Å²	7	58.3 Å²	58.3	5%	0.049	32%	0.319	C	S	.	.	H	α-helix	trans	-64.5	-31.7	-178.6	-56.9	0	0	0	0	112.6	N629 S664 A672	N629-S668 PolarHBondContact ND2-OG 3.44Å; N629-S668 VanDerWaalsContact ND2-OG 3.15Å; S664-S668 PolarHBondContact O-N 2.9Å; S664-S668 PolarHBondContact O-OG 3.05Å; S664-S668 VanDerWaalsContact O-OG 3.04Å; S668-A672 WeakPolarHBondContact O-CB 3.4Å; S668-A672 PolarHBondContact O-N 2.7Å; S668-A672 VanDerWaalsContact O-N 3.14Å
669	I	82.8	Confident	77	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-66.6	-46.3	171.2	-68.3	164.4	0	0	0	110.7	L628 V651 L654 L655 W660 T665 E666 N667 A672 L673 I696	L628-I669 HydrophobicContact CD1-CG1 4.47Å; V651-I669 HydrophobicContact CG1-CG2 3.86Å; V651-I669 HydrophobicContact CG2-CG2 4.37Å; L654-I669 HydrophobicContact CB-CD1 4.01Å; L654-I669 HydrophobicContact CD1-CD1 4.41Å; L654-I669 HydrophobicContact CD1-CG1 4.16Å; L655-I669 HydrophobicContact CD2-CD1 4.36Å; L655-I669 HydrophobicContact CG-CD1 4.43Å; W660-I669 HydrophobicContact CH2-CD1 4.37Å; W660-I669 HydrophobicContact CZ2-CD1 3.92Å; T665-I669 HydrophobicContact CG2-CD1 4.18Å; T665-I669 WeakPolarHBondContact O-CD1 3.39Å; T665-I669 VanDerWaalsContact O-CG1 3.29Å; T665-I669 WeakPolarHBondContact O-CG1 3.23Å; T665-I669 PolarHBondContact O-N 3.25Å; T665-I669 VanDerWaalsContact O-N 3.15Å; E666-I669 PolarHBondContact O-N 3.1Å; N667-I669 VanDerWaalsContact C-N 3.27Å; N667-I669 PolarHBondContact O-N 3.28Å; I669-A672 PolarHBondContact O-N 2.88Å; I669-L673 HydrophobicContact CG2-CD1 3.7Å; I669-L673 HydrophobicContact CG2-CG 4.29Å; I669-L673 WeakPolarHBondContact O-CB 3.47Å; I669-L673 VanDerWaalsContact O-CG 3.28Å; I669-L673 WeakPolarHBondContact O-CG 3.42Å; I669-L673 PolarHBondContact O-N 3.42Å; I669-I696 HydrophobicContact CB-CD1 4.49Å; I669-I696 HydrophobicContact CD1-CD1 4.47Å; I669-I696 HydrophobicContact CG2-CD1 4.05Å
670	L	81.8	Confident	77	Confident	29 Å²	29	59.1 Å²	59.1	15%	0.152	31%	0.312	C	S	.	.	H	α-helix	trans	-60.6	-47.6	177.6	-72.7	169.6	0	0	0	112	E666 N667 A672 L673 Y674 T695 I696 F699	E666-L670 WeakPolarHBondContact O-CG 3.3Å; E666-L670 PolarHBondContact O-N 2.9Å; E666-L670 VanDerWaalsContact O-N 3.08Å; N667-L670 WeakPolarHBondContact O-CB 3.12Å; N667-L670 PolarHBondContact O-N 3.22Å; N667-L670 VanDerWaalsContact O-N 3.08Å; L670-A672 VanDerWaalsContact C-N 3.3Å; L670-A672 PolarHBondContact O-N 3.47Å; L670-L673 PolarHBondContact O-N 2.91Å; L670-Y674 PolarHBondContact O-N 3.26Å; L670-T695 HydrophobicContact CD1-CG2 4.07Å; L670-I696 HydrophobicContact CD2-CG1 4.2Å; L670-I696 HydrophobicContact CG-CG1 4.34Å; L670-F699 HydrophobicContact CD2-CB 3.72Å; L670-F699 HydrophobicContact CD2-CD1 4.21Å; L670-F699 HydrophobicContact CD2-CG 3.95Å
671	T	80.6	Confident	76.6	Confident	56 Å²	56	60.8 Å²	60.8	34%	0.344	32%	0.32	S	S	.	.	H	α-helix	trans	-62.6	-37.4	179.1	-32.3	0	0	0	0	111.9	V632 N667 H675	V632-T671 HydrophobicContact CG1-CG2 4.18Å; N667-T671 PolarHBondContact O-N 3.01Å; N667-T671 PolarHBondContact O-OG1 3.47Å; T671-H675 PolarHBondContact O-N 2.96Å; T671-H675 PolarHBondContact O-ND1 2.69Å
672	A	80.9	Confident	76.7	Confident	2 Å²	2	62.4 Å²	62.4	2%	0.017	32%	0.319	C	S	.	.	H	α-helix	trans	-67.8	-43.7	175.7	0	0	0	0	0	112.4	L628 V632 V647 S668 I669 L670 Y674 H675 V676	L628-A672 HydrophobicContact CB-CB 4.24Å; L628-A672 HydrophobicContact CD1-CB 4.29Å; L628-A672 HydrophobicContact CD2-CB 3.99Å; L628-A672 HydrophobicContact CG-CB 4.41Å; V632-A672 HydrophobicContact CG2-CB 4.4Å; V647-A672 HydrophobicContact CG1-CB 4.44Å; S668-A672 WeakPolarHBondContact O-CB 3.4Å; S668-A672 PolarHBondContact O-N 2.7Å; S668-A672 VanDerWaalsContact O-N 3.14Å; I669-A672 PolarHBondContact O-N 2.88Å; L670-A672 VanDerWaalsContact C-N 3.3Å; L670-A672 PolarHBondContact O-N 3.47Å; A672-Y674 VanDerWaalsContact C-N 3.29Å; A672-Y674 PolarHBondContact O-N 3.36Å; A672-H675 PolarHBondContact O-N 3.28Å; A672-V676 WeakPolarHBondContact O-CB 3.4Å; A672-V676 PolarHBondContact O-N 3.15Å
673	L	80	Confident	76.7	Confident	12 Å²	12	65.8 Å²	65.8	6%	0.063	33%	0.329	C	S	.	.	H	α-helix	trans	-70.1	-23.3	179.2	-69.3	173.8	0	0	0	113.6	I669 L670 P678 I684 I696 F699	I669-L673 HydrophobicContact CG2-CD1 3.7Å; I669-L673 HydrophobicContact CG2-CG 4.29Å; I669-L673 WeakPolarHBondContact O-CB 3.47Å; I669-L673 VanDerWaalsContact O-CG 3.28Å; I669-L673 WeakPolarHBondContact O-CG 3.42Å; I669-L673 PolarHBondContact O-N 3.42Å; L670-L673 PolarHBondContact O-N 2.91Å; L673-P678 HydrophobicContact CD2-CG 3.99Å; L673-I684 HydrophobicContact CD1-CG2 4.33Å; L673-I684 HydrophobicContact CD2-CD1 3.99Å; L673-I696 HydrophobicContact CD1-CG2 4.34Å; L673-F699 HydrophobicContact CB-CD1 4.48Å; L673-F699 HydrophobicContact CB-CE1 3.99Å
674	Y	78.8	Confident	77	Confident	163 Å²	163	60 Å²	60	64%	0.639	29%	0.289	S	S	*	.	H	α-helix	trans	-72.1	-43	171.6	-178.8	-93.2	0	0	0	112.3	L670 A672 F699	L670-Y674 PolarHBondContact O-N 3.26Å; A672-Y674 VanDerWaalsContact C-N 3.29Å; A672-Y674 PolarHBondContact O-N 3.36Å; Y674-F699 AromaticContact CD2-CE2 3.94Å; Y674-F699 HydrophobicContact CD2-CE2 3.94Å; Y674-F699 AromaticContact CD2-CZ 3.91Å; Y674-F699 HydrophobicContact CD2-CZ 3.91Å; Y674-F699 HydrophobicContact CG-CZ 4.38Å
675	H	74.1	Confident	76.9	Confident	65 Å²	65	59 Å²	59	30%	0.301	28%	0.279	S	S	.	.	H	α-helix	trans	-84.9	-27.1	-177.7	-68.6	97.6	0	0	0	114	V632 E636 T671 A672	V632-H675 HydrophobicContact CG2-CB 4.37Å; E636-H675 IonicContact OE1-CE1 3.13Å; E636-H675 PolarHBondContact OE1-CE1 3.36Å; E636-H675 IonicContact OE1-NE2 2.71Å; E636-H675 PolarHBondContact OE1-NE2 2.98Å; T671-H675 PolarHBondContact O-N 2.96Å; T671-H675 PolarHBondContact O-ND1 2.69Å; A672-H675 PolarHBondContact O-N 3.28Å
676	V	76.7	Confident	76.7	Confident	5 Å²	5	67.3 Å²	67.3	3%	0.03	31%	0.311	C	S	.	.	S	Bend	trans	-124.8	106.4	-176.4	-173.1	0	0	0	0	109.6	V631 P642 I644 V647 A672 P678	V631-V676 HydrophobicContact CG1-CG2 4.45Å; P642-V676 HydrophobicContact CB-CB 4.46Å; P642-V676 HydrophobicContact CB-CG1 4.07Å; P642-V676 HydrophobicContact CB-CG2 3.6Å; P642-V676 HydrophobicContact CG-CG2 4.48Å; I644-V676 HydrophobicContact CB-CG1 4.49Å; I644-V676 HydrophobicContact CG1-CG1 4.08Å; V647-V676 HydrophobicContact CB-CG1 4.4Å; V647-V676 HydrophobicContact CG1-CB 4.21Å; V647-V676 HydrophobicContact CG1-CG1 4.22Å; A672-V676 WeakPolarHBondContact O-CB 3.4Å; A672-V676 PolarHBondContact O-N 3.15Å; V676-P678 VanDerWaalsContact O-CD 3.26Å; V676-P678 WeakPolarHBondContact O-CD 3.38Å
677	T	72.5	Confident	76.5	Confident	102 Å²	102	66 Å²	66	63%	0.626	31%	0.307	S	S	*	.			trans	-68.7	116.2	172.2	52	0	0	0	0	109.9
678	P	73.5	Confident	76.1	Confident	15 Å²	15	61 Å²	61	10%	0.097	28%	0.28	C	S	.	.			trans	-79.1	138.7	179.8	32.1	-33.7	0	0	0	110.8	L673 V676 D680 K681 I684	L673-P678 HydrophobicContact CD2-CG 3.99Å; V676-P678 VanDerWaalsContact O-CD 3.26Å; V676-P678 WeakPolarHBondContact O-CD 3.38Å; P678-D680 VanDerWaalsContact C-N 3.28Å; P678-D680 PolarHBondContact O-N 2.96Å; P678-K681 HydrophobicContact CG-CG 4.05Å; P678-I684 HydrophobicContact CB-CD1 3.5Å; P678-I684 HydrophobicContact CG-CD1 3.44Å; P678-I684 VanDerWaalsContact CG-CD1 3.44Å
679	D	71.7	Confident	75.8	Confident	136 Å²	136	64.5 Å²	64.5	73%	0.727	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-38.5	177.4	-70.9	-33.4	0	0	0	111.8
680	D	71.8	Confident	75	Confident	62 Å²	62	70.9 Å²	70.9	33%	0.332	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	47	-169.8	-125	-17.4	0	0	0	112	P678 R682 R683	P678-D680 VanDerWaalsContact C-N 3.28Å; P678-D680 PolarHBondContact O-N 2.96Å; D680-R682 PolarHBondContact O-N 2.69Å; D680-R683 WeakPolarHBondContact O-CB 3.48Å; D680-R683 PolarHBondContact O-N 2.98Å; D680-R683 WeakPolarHBondContact OD2-CD 3.35Å; D680-R683 IonicContact OD2-CZ 3.71Å; D680-R683 IonicContact OD2-NE 2.7Å; D680-R683 IonicContact OD2-NH1 3.82Å; D680-R683 PolarHBondContact OD2-NH1 3.3Å
681	K	69.8	Low	74.2	Confident	72 Å²	72	72.1 Å²	72.1	31%	0.313	34%	0.34	S	S	.	.	H	α-helix	trans	-38.9	-39.4	178.2	-78.1	-174.6	171.3	-174.5	0	114.1	P678 R683 I684 I685 D704	P678-K681 HydrophobicContact CG-CG 4.05Å; K681-R683 VanDerWaalsContact C-N 3.3Å; K681-R683 PolarHBondContact O-N 3.48Å; K681-I684 PolarHBondContact O-N 3.4Å; K681-I685 WeakPolarHBondContact O-CG1 3.33Å; K681-I685 PolarHBondContact O-N 3.04Å; K681-D704 IonicContact NZ-OD1 3.67Å; K681-D704 PolarHBondContact NZ-OD1 3.38Å
682	R	71.8	Confident	73.5	Confident	200 Å²	200	73.9 Å²	73.9	76%	0.755	35%	0.345	S	S	*	.	H	α-helix	trans	-61	-30.8	-179.7	-65.5	179.4	179.2	177	0.2	114	D680 R686	D680-R682 PolarHBondContact O-N 2.69Å; R682-R686 WeakPolarHBondContact O-CG 3.49Å; R682-R686 PolarHBondContact O-N 3.3Å
683	R	76.1	Confident	73.1	Confident	136 Å²	136	76.2 Å²	76.2	51%	0.513	35%	0.354	S	S	.	.	H	α-helix	trans	-74.5	-38.1	176.7	-81.7	166.7	137.9	175.9	-11.9	111.7	I652 D680 K681 R686 A687	I652-R683 HydrophobicContact CD1-CB 4.05Å; D680-R683 WeakPolarHBondContact O-CB 3.48Å; D680-R683 PolarHBondContact O-N 2.98Å; D680-R683 WeakPolarHBondContact OD2-CD 3.35Å; D680-R683 IonicContact OD2-CZ 3.71Å; D680-R683 IonicContact OD2-NE 2.7Å; D680-R683 IonicContact OD2-NH1 3.82Å; D680-R683 PolarHBondContact OD2-NH1 3.3Å; K681-R683 VanDerWaalsContact C-N 3.3Å; K681-R683 PolarHBondContact O-N 3.48Å; R683-R686 PolarHBondContact O-N 2.91Å; R683-A687 PolarHBondContact O-N 2.85Å; R683-A687 VanDerWaalsContact O-N 3.08Å
684	I	77.3	Confident	72.3	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-68	-45.5	178.4	-62.9	164.7	0	0	0	110	Q648 V651 I652 L655 L673 P678 K681 R686 A687 A688 L700	Q648-I684 HydrophobicContact CG-CD1 4.44Å; V651-I684 HydrophobicContact CG1-CG1 4.46Å; V651-I684 HydrophobicContact CG1-CG2 4.26Å; I652-I684 HydrophobicContact CG1-CG1 4.19Å; L655-I684 HydrophobicContact CD1-CG2 3.93Å; L673-I684 HydrophobicContact CD1-CG2 4.33Å; L673-I684 HydrophobicContact CD2-CD1 3.99Å; P678-I684 HydrophobicContact CB-CD1 3.5Å; P678-I684 HydrophobicContact CG-CD1 3.44Å; P678-I684 VanDerWaalsContact CG-CD1 3.44Å; K681-I684 PolarHBondContact O-N 3.4Å; I684-R686 VanDerWaalsContact C-N 3.34Å; I684-R686 PolarHBondContact O-N 3.42Å; I684-A687 PolarHBondContact O-N 3.08Å; I684-A687 VanDerWaalsContact O-N 3.1Å; I684-A688 WeakPolarHBondContact O-CB 3.14Å; I684-A688 PolarHBondContact O-N 2.94Å; I684-L700 HydrophobicContact CG2-CD1 4.14Å
685	I	73.7	Confident	71.9	Confident	28 Å²	28	73.9 Å²	73.9	14%	0.144	36%	0.358	C	S	.	.	H	α-helix	trans	-56.9	-46.4	175	-65.4	166.6	0	0	0	111.1	K681 A687 A688 Q689 L697 L700	K681-I685 WeakPolarHBondContact O-CG1 3.33Å; K681-I685 PolarHBondContact O-N 3.04Å; I685-A687 VanDerWaalsContact C-N 3.29Å; I685-A687 PolarHBondContact O-N 3.34Å; I685-A688 PolarHBondContact O-N 3.21Å; I685-Q689 VanDerWaalsContact O-CG 3.29Å; I685-Q689 WeakPolarHBondContact O-CG 3.37Å; I685-Q689 PolarHBondContact O-N 3.05Å; I685-L697 HydrophobicContact CG2-CD2 4.31Å; I685-L700 HydrophobicContact CG1-CD1 3.91Å
686	R	75.2	Confident	71.8	Confident	174 Å²	174	70.8 Å²	70.8	66%	0.657	34%	0.344	S	S	*	.	H	α-helix	trans	-63.2	-32.9	177.3	-74	174.6	-177.1	172.9	1.5	113.5	R682 R683 I684	R682-R686 WeakPolarHBondContact O-CG 3.49Å; R682-R686 PolarHBondContact O-N 3.3Å; R683-R686 PolarHBondContact O-N 2.91Å; I684-R686 VanDerWaalsContact C-N 3.34Å; I684-R686 PolarHBondContact O-N 3.42Å
687	A	75.5	Confident	71.5	Confident	16 Å²	16	70.9 Å²	70.9	13%	0.132	34%	0.344	C	S	.	.	H	α-helix	trans	-75.3	-38.7	176.2	0	0	0	0	0	111.7	L655 R683 I684 I685 Q689 N690	L655-A687 HydrophobicContact CB-CB 3.82Å; L655-A687 HydrophobicContact CD1-CB 3.91Å; L655-A687 HydrophobicContact CG-CB 4.48Å; R683-A687 PolarHBondContact O-N 2.85Å; R683-A687 VanDerWaalsContact O-N 3.08Å; I684-A687 PolarHBondContact O-N 3.08Å; I684-A687 VanDerWaalsContact O-N 3.1Å; I685-A687 VanDerWaalsContact C-N 3.29Å; I685-A687 PolarHBondContact O-N 3.34Å; A687-Q689 VanDerWaalsContact C-N 3.26Å; A687-Q689 PolarHBondContact O-N 3.15Å; A687-N690 PolarHBondContact O-N 2.77Å
688	A	73.3	Confident	71.2	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-75.3	-8.4	176.3	0	0	0	0	0	114.6	L655 I684 I685 P691 M692 R693 I696 L697	L655-A688 HydrophobicContact CD2-CB 4.36Å; I684-A688 WeakPolarHBondContact O-CB 3.14Å; I684-A688 PolarHBondContact O-N 2.94Å; I685-A688 PolarHBondContact O-N 3.21Å; A688-P691 CarbonylContact C-O 3.57Å; A688-M692 WeakPolarHBondContact O-CA 3.32Å; A688-R693 PolarHBondContact O-N 3.47Å; A688-I696 HydrophobicContact CB-CG2 4.14Å; A688-L697 HydrophobicContact CB-CD2 3.96Å; A688-L697 HydrophobicContact CB-CG 4.23Å
689	Q	73.3	Confident	71.1	Confident	82 Å²	82	68.1 Å²	68.1	38%	0.383	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-85.5	-22	171.7	-79.1	171.8	-23.1	0	0	113.3	I685 A687 P691 M692 L697	I685-Q689 VanDerWaalsContact O-CG 3.29Å; I685-Q689 WeakPolarHBondContact O-CG 3.37Å; I685-Q689 PolarHBondContact O-N 3.05Å; A687-Q689 VanDerWaalsContact C-N 3.26Å; A687-Q689 PolarHBondContact O-N 3.15Å; Q689-P691 VanDerWaalsContact C-C 3.44Å; Q689-P691 CarbonylContact C-O 3.52Å; Q689-P691 CarbonylContact O-C 3.54Å; Q689-M692 PolarHBondContact O-N 3.19Å; Q689-L697 HydrophobicContact CG-CD1 4.45Å; Q689-L697 HydrophobicContact CG-CD2 4.24Å
690	N	66	Low	71.1	Confident	134 Å²	134	62.1 Å²	62.1	72%	0.717	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.5	88.9	-173.3	-74.5	-59.1	0	0	0	111	A687	A687-N690 PolarHBondContact O-N 2.77Å
691	P	66	Low	71	Confident	55 Å²	55	60.5 Å²	60.5	36%	0.357	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	cis	-76.1	156.5	0.8	32.8	-36.8	0	0	0	113.1	A688 Q689 R693	A688-P691 CarbonylContact C-O 3.57Å; Q689-P691 VanDerWaalsContact C-C 3.44Å; Q689-P691 CarbonylContact C-O 3.52Å; Q689-P691 CarbonylContact O-C 3.54Å; P691-R693 PolarHBondContact O-N 2.94Å
692	M	65.6	Low	70.9	Confident	92 Å²	92	60.9 Å²	60.9	45%	0.453	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-64.5	118.2	-179.6	-176.4	177.8	178.5	0	0	111.6	A688 Q689 L697 C713	A688-M692 WeakPolarHBondContact O-CA 3.32Å; Q689-M692 PolarHBondContact O-N 3.19Å; M692-L697 HydrophobicContact CG-CD1 4.08Å; M692-C713 HydrophobicContact CE-CB 4.1Å
693	R	72.4	Confident	70.6	Confident	52 Å²	52	56 Å²	56	20%	0.196	28%	0.275	C	S	.	.			trans	-111.6	94.9	176.5	-61.5	-58.7	-172.1	152.7	5.3	110.4	W660 A688 P691 T695 I696 L697	W660-R693 HydrophobicContact CH2-CG 4.33Å; W660-R693 VanDerWaalsContact CZ3-NH1 3.26Å; A688-R693 PolarHBondContact O-N 3.47Å; P691-R693 PolarHBondContact O-N 2.94Å; R693-T695 PolarHBondContact O-N 3.32Å; R693-I696 HydrophobicContact CB-CB 4.24Å; R693-I696 HydrophobicContact CB-CD1 4.21Å; R693-I696 HydrophobicContact CB-CG1 4.35Å; R693-I696 HydrophobicContact CG-CD1 4.5Å; R693-I696 PolarHBondContact O-N 3.19Å; R693-L697 WeakPolarHBondContact O-CB 3.43Å; R693-L697 WeakPolarHBondContact O-CG 3.37Å; R693-L697 PolarHBondContact O-N 2.92Å
694	P	63.9	Low	70.2	Confident	59 Å²	59	52.2 Å²	52.2	38%	0.383	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-38.4	-170.3	23.4	-33	0	0	0	113.3	L697 S698	P694-L697 PolarHBondContact O-N 3.39Å; P694-S698 WeakPolarHBondContact O-CB 3.3Å; P694-S698 PolarHBondContact O-N 3.36Å; P694-S698 PolarHBondContact O-OG 3.04Å
695	T	69.8	Low	69.7	Low	67 Å²	67	58.5 Å²	58.5	41%	0.411	29%	0.289	S	S	.	.	H	α-helix	trans	-65.2	-40.4	179.9	-20.1	0	0	0	0	113.4	E666 L670 R693 S698 F699	E666-T695 WeakPolarHBondContact OE1-CB 3.44Å; E666-T695 PolarHBondContact OE1-OG1 3.36Å; L670-T695 HydrophobicContact CD1-CG2 4.07Å; R693-T695 PolarHBondContact O-N 3.32Å; T695-S698 PolarHBondContact O-OG 3.41Å; T695-F699 PolarHBondContact O-N 3.26Å
696	I	72.8	Confident	69.5	Low	0 Å²	0	62 Å²	62	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-73.7	-39.3	178.1	-58.7	177.8	0	0	0	110	L655 W660 E666 I669 L670 L673 A688 R693 L700	L655-I696 HydrophobicContact CD2-CD1 3.97Å; W660-I696 HydrophobicContact CH2-CD1 4.08Å; E666-I696 HydrophobicContact CG-CD1 4.19Å; E666-I696 HydrophobicContact CG-CG1 4.15Å; I669-I696 HydrophobicContact CB-CD1 4.49Å; I669-I696 HydrophobicContact CD1-CD1 4.47Å; I669-I696 HydrophobicContact CG2-CD1 4.05Å; L670-I696 HydrophobicContact CD2-CG1 4.2Å; L670-I696 HydrophobicContact CG-CG1 4.34Å; L673-I696 HydrophobicContact CD1-CG2 4.34Å; A688-I696 HydrophobicContact CB-CG2 4.14Å; R693-I696 HydrophobicContact CB-CB 4.24Å; R693-I696 HydrophobicContact CB-CD1 4.21Å; R693-I696 HydrophobicContact CB-CG1 4.35Å; R693-I696 HydrophobicContact CG-CD1 4.5Å; R693-I696 PolarHBondContact O-N 3.19Å; I696-L700 HydrophobicContact CG2-CD1 4.13Å; I696-L700 VanDerWaalsContact O-CG 3.27Å; I696-L700 WeakPolarHBondContact O-CG 3.35Å; I696-L700 PolarHBondContact O-N 3.3Å
697	L	69.6	Low	69.3	Low	6 Å²	6	55 Å²	55	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-67.3	-38.8	175.9	-69.2	171.7	0	0	0	112.1	I685 A688 Q689 M692 R693 P694 L700 Y701	I685-L697 HydrophobicContact CG2-CD2 4.31Å; A688-L697 HydrophobicContact CB-CD2 3.96Å; A688-L697 HydrophobicContact CB-CG 4.23Å; Q689-L697 HydrophobicContact CG-CD1 4.45Å; Q689-L697 HydrophobicContact CG-CD2 4.24Å; M692-L697 HydrophobicContact CG-CD1 4.08Å; R693-L697 WeakPolarHBondContact O-CB 3.43Å; R693-L697 WeakPolarHBondContact O-CG 3.37Å; R693-L697 PolarHBondContact O-N 2.92Å; P694-L697 PolarHBondContact O-N 3.39Å; L697-L700 PolarHBondContact O-N 2.74Å; L697-Y701 HydrophobicContact CB-CD2 4.27Å; L697-Y701 HydrophobicContact CB-CE2 4.09Å; L697-Y701 HydrophobicContact CD2-CE2 4.34Å; L697-Y701 WeakPolarHBondContact O-CD2 3.28Å; L697-Y701 PolarHBondContact O-N 2.96Å
698	S	66.7	Low	68.9	Low	16 Å²	16	58.4 Å²	58.4	11%	0.112	29%	0.29	C	S	.	.	H	α-helix	trans	-65.8	-44.1	179	65.6	0	0	0	0	112	P694 T695 L700 Y701 L702 Y714	P694-S698 WeakPolarHBondContact O-CB 3.3Å; P694-S698 PolarHBondContact O-N 3.36Å; P694-S698 PolarHBondContact O-OG 3.04Å; T695-S698 PolarHBondContact O-OG 3.41Å; S698-L700 VanDerWaalsContact C-N 3.31Å; S698-L700 PolarHBondContact O-N 2.89Å; S698-Y701 PolarHBondContact O-N 3.18Å; S698-L702 WeakPolarHBondContact O-CB 3.43Å; S698-L702 VanDerWaalsContact O-CG 3.29Å; S698-L702 WeakPolarHBondContact O-CG 3.49Å; S698-L702 PolarHBondContact O-N 2.78Å; S698-Y714 WeakPolarHBondContact CB-OH 3.17Å
699	F	70.5	Confident	68.7	Low	44 Å²	44	61.3 Å²	61.3	19%	0.193	31%	0.306	C	S	.	.	H	α-helix	trans	-57	-42	172.6	-179.3	-103.1	0	0	0	112.9	L670 L673 Y674 T695 N703	L670-F699 HydrophobicContact CD2-CB 3.72Å; L670-F699 HydrophobicContact CD2-CD1 4.21Å; L670-F699 HydrophobicContact CD2-CG 3.95Å; L673-F699 HydrophobicContact CB-CD1 4.48Å; L673-F699 HydrophobicContact CB-CE1 3.99Å; Y674-F699 AromaticContact CD2-CE2 3.94Å; Y674-F699 HydrophobicContact CD2-CE2 3.94Å; Y674-F699 AromaticContact CD2-CZ 3.91Å; Y674-F699 HydrophobicContact CD2-CZ 3.91Å; Y674-F699 HydrophobicContact CG-CZ 4.38Å; T695-F699 PolarHBondContact O-N 3.26Å; F699-N703 WeakPolarHBondContact CE1-ND2 3.38Å; F699-N703 WeakPolarHBondContact CE2-ND2 3.35Å; F699-N703 WeakPolarHBondContact CZ-ND2 3.38Å; F699-N703 PolarHBondContact O-N 3.27Å; F699-N703 PolarHBondContact O-ND2 3.21Å
700	L	71.2	Confident	68.5	Low	9 Å²	9	57.6 Å²	57.6	5%	0.047	29%	0.289	C	S	.	.	H	α-helix	trans	-71.1	-42.6	179.2	-69.5	169.9	0	0	0	112.4	I684 I685 I696 L697 S698 D704	I684-L700 HydrophobicContact CG2-CD1 4.14Å; I685-L700 HydrophobicContact CG1-CD1 3.91Å; I696-L700 HydrophobicContact CG2-CD1 4.13Å; I696-L700 VanDerWaalsContact O-CG 3.27Å; I696-L700 WeakPolarHBondContact O-CG 3.35Å; I696-L700 PolarHBondContact O-N 3.3Å; L697-L700 PolarHBondContact O-N 2.74Å; S698-L700 VanDerWaalsContact C-N 3.31Å; S698-L700 PolarHBondContact O-N 2.89Å; L700-D704 WeakPolarHBondContact O-CB 3.39Å; L700-D704 PolarHBondContact O-N 3.16Å; L700-D704 VanDerWaalsContact O-N 3.11Å
701	Y	70.9	Confident	68.7	Low	29 Å²	29	51.4 Å²	51.4	11%	0.114	26%	0.256	C	S	.	.	H	α-helix	trans	-73.6	-32.2	180	-69.3	-50.2	0	0	0	113.7	L697 S698 D704 R705 K706	L697-Y701 HydrophobicContact CB-CD2 4.27Å; L697-Y701 HydrophobicContact CB-CE2 4.09Å; L697-Y701 HydrophobicContact CD2-CE2 4.34Å; L697-Y701 WeakPolarHBondContact O-CD2 3.28Å; L697-Y701 PolarHBondContact O-N 2.96Å; S698-Y701 PolarHBondContact O-N 3.18Å; Y701-D704 PolarHBondContact O-N 3.17Å; Y701-R705 PolarHBondContact O-N 3.41Å; Y701-R705 VanDerWaalsContact O-N 3.17Å; Y701-K706 HydrophobicContact CD1-CB 4.25Å; Y701-K706 HydrophobicContact CD1-CD 4.4Å; Y701-K706 PolarHBondContact O-N 2.87Å
702	L	67.6	Low	68.9	Low	80 Å²	80	52.2 Å²	52.2	42%	0.419	25%	0.254	S	S	.	.	H	α-helix	trans	-64.2	-47.8	172.4	-76.6	166.3	0	0	0	111.2	S698 D704 R705 F707 L710 I729	S698-L702 WeakPolarHBondContact O-CB 3.43Å; S698-L702 VanDerWaalsContact O-CG 3.29Å; S698-L702 WeakPolarHBondContact O-CG 3.49Å; S698-L702 PolarHBondContact O-N 2.78Å; L702-D704 VanDerWaalsContact C-N 3.31Å; L702-D704 PolarHBondContact O-N 3.46Å; L702-R705 PolarHBondContact O-N 3.13Å; L702-R705 VanDerWaalsContact O-N 3.09Å; L702-F707 HydrophobicContact CD2-CD1 4.39Å; L702-F707 HydrophobicContact CD2-CE1 4.27Å; L702-L710 HydrophobicContact CD2-CD2 3.76Å; L702-L710 HydrophobicContact CG-CD2 3.94Å; L702-I729 HydrophobicContact CD2-CD1 4.46Å; L702-I729 HydrophobicContact CD2-CG1 4.19Å
703	N	66.2	Low	69	Low	97 Å²	97	49.2 Å²	49.2	52%	0.519	24%	0.241	S	C	.	.	H	α-helix	trans	-62	-35.9	176.3	-83.5	-44.6	0	0	0	113.2	F699 R705	F699-N703 WeakPolarHBondContact CE1-ND2 3.38Å; F699-N703 WeakPolarHBondContact CE2-ND2 3.35Å; F699-N703 WeakPolarHBondContact CZ-ND2 3.38Å; F699-N703 PolarHBondContact O-N 3.27Å; F699-N703 PolarHBondContact O-ND2 3.21Å; N703-R705 VanDerWaalsContact C-N 3.27Å; N703-R705 PolarHBondContact O-N 3.09Å
704	D	67.8	Low	68.7	Low	56 Å²	56	47.7 Å²	47.7	30%	0.299	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	8	177.2	-76.6	6.9	0	0	0	113.2	K681 L700 Y701 L702 K706	K681-D704 IonicContact NZ-OD1 3.67Å; K681-D704 PolarHBondContact NZ-OD1 3.38Å; L700-D704 WeakPolarHBondContact O-CB 3.39Å; L700-D704 PolarHBondContact O-N 3.16Å; L700-D704 VanDerWaalsContact O-N 3.11Å; Y701-D704 PolarHBondContact O-N 3.17Å; L702-D704 VanDerWaalsContact C-N 3.31Å; L702-D704 PolarHBondContact O-N 3.46Å; D704-K706 VanDerWaalsContact C-N 3.3Å; D704-K706 PolarHBondContact O-N 3.4Å
705	R	66.4	Low	68.8	Low	133 Å²	133	46.7 Å²	46.7	50%	0.502	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	32.1	-178.9	-64.5	-171.9	173.4	-146.4	-4.1	115.5	Y701 L702 N703 F707 E739	Y701-R705 PolarHBondContact O-N 3.41Å; Y701-R705 VanDerWaalsContact O-N 3.17Å; L702-R705 PolarHBondContact O-N 3.13Å; L702-R705 VanDerWaalsContact O-N 3.09Å; N703-R705 VanDerWaalsContact C-N 3.27Å; N703-R705 PolarHBondContact O-N 3.09Å; R705-F707 HydrophobicContact CB-CE2 4.01Å; R705-F707 HydrophobicContact CB-CZ 4.07Å; R705-F707 HydrophobicContact CG-CE2 4.49Å; R705-F707 HydrophobicContact CG-CZ 4.19Å; R705-F707 PolarHBondContact O-N 3.45Å; R705-E739 IonicContact NH1-OE1 2.76Å; R705-E739 IonicContact NH1-OE2 3.34Å
706	K	69.8	Low	68.6	Low	101 Å²	101	51.2 Å²	51.2	44%	0.439	24%	0.244	S	C	.	.			trans	-98.2	67.9	-178.6	-69.6	-175.5	178.3	-177.7	0	112.7	Y701 D704 E708 D709 L710	Y701-K706 HydrophobicContact CD1-CB 4.25Å; Y701-K706 HydrophobicContact CD1-CD 4.4Å; Y701-K706 PolarHBondContact O-N 2.87Å; D704-K706 VanDerWaalsContact C-N 3.3Å; D704-K706 PolarHBondContact O-N 3.4Å; K706-E708 PolarHBondContact O-N 3.41Å; K706-D709 HydrophobicContact CB-CB 4.42Å; K706-D709 PolarHBondContact O-N 3.42Å; K706-L710 PolarHBondContact O-N 3.21Å
707	F	69	Low	68	Low	28 Å²	28	54.3 Å²	54.3	12%	0.123	27%	0.265	C	S	.	.	H	α-helix	trans	-65.9	-33.3	-173	-49.9	-66.5	0	0	0	114	L702 R705 I711 I729 L735 F743	L702-F707 HydrophobicContact CD2-CD1 4.39Å; L702-F707 HydrophobicContact CD2-CE1 4.27Å; R705-F707 HydrophobicContact CB-CE2 4.01Å; R705-F707 HydrophobicContact CB-CZ 4.07Å; R705-F707 HydrophobicContact CG-CE2 4.49Å; R705-F707 HydrophobicContact CG-CZ 4.19Å; R705-F707 PolarHBondContact O-N 3.45Å; F707-I711 WeakPolarHBondContact O-CG1 3.39Å; F707-I711 PolarHBondContact O-N 2.88Å; F707-I711 VanDerWaalsContact O-N 3.13Å; F707-I729 HydrophobicContact CD1-CD1 3.93Å; F707-I729 HydrophobicContact CD1-CG1 4.1Å; F707-I729 HydrophobicContact CD1-CG2 4.12Å; F707-I729 HydrophobicContact CE1-CG1 4.47Å; F707-I729 HydrophobicContact CE1-CG2 4.41Å; F707-I729 HydrophobicContact CG-CG2 4.47Å; F707-L735 HydrophobicContact CD2-CD2 4.39Å; F707-L735 HydrophobicContact CE2-CD2 3.94Å; F707-L735 HydrophobicContact CZ-CD2 4.41Å; F707-F743 HydrophobicContact CB-CD2 4.1Å; F707-F743 HydrophobicContact CB-CE2 3.79Å
708	E	68.6	Low	67.7	Low	86 Å²	86	60 Å²	60	40%	0.402	30%	0.296	S	S	.	.	H	α-helix	trans	-66.2	-46.1	175.6	-71.2	-166.8	-171	0	0	112.8	K706 L710 I711 K712 Y746	K706-E708 PolarHBondContact O-N 3.41Å; E708-L710 VanDerWaalsContact C-N 3.27Å; E708-L710 PolarHBondContact O-N 3.08Å; E708-I711 PolarHBondContact O-N 2.93Å; E708-K712 VanDerWaalsContact O-CG 3.28Å; E708-K712 WeakPolarHBondContact O-CG 3.31Å; E708-K712 PolarHBondContact O-N 2.76Å; E708-K712 IonicContact OE2-NZ 2.85Å; E708-K712 PolarHBondContact OE2-NZ 2.84Å; E708-Y746 HydrophobicContact CG-CE1 4.38Å
709	D	68.2	Low	67.7	Low	62 Å²	62	60.4 Å²	60.4	33%	0.332	30%	0.299	S	S	.	.	H	α-helix	trans	-68	-33.5	-176.8	-64.5	-21.9	0	0	0	110.6	K706 K712 C713	K706-D709 HydrophobicContact CB-CB 4.42Å; K706-D709 PolarHBondContact O-N 3.42Å; D709-K712 PolarHBondContact O-N 2.93Å; D709-K712 IonicContact OD1-NZ 2.76Å; D709-K712 PolarHBondContact OD1-NZ 3.3Å; D709-C713 PolarHBondContact O-N 2.81Å; D709-C713 PolarHBondContact O-SG 3.13Å
710	L	70.2	Confident	67.4	Low	3 Å²	3	62.2 Å²	62.2	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-58.7	-51.3	168.9	-176.5	70.5	0	0	0	112.1	L702 K706 E708 K712 C713 Y714 I729	L702-L710 HydrophobicContact CD2-CD2 3.76Å; L702-L710 HydrophobicContact CG-CD2 3.94Å; K706-L710 PolarHBondContact O-N 3.21Å; E708-L710 VanDerWaalsContact C-N 3.27Å; E708-L710 PolarHBondContact O-N 3.08Å; L710-K712 PolarHBondContact O-N 2.85Å; L710-C713 PolarHBondContact O-N 3.32Å; L710-Y714 HydrophobicContact CD1-CD2 4.16Å; L710-Y714 HydrophobicContact CD1-CE2 3.63Å; L710-Y714 HydrophobicContact CG-CD2 4.09Å; L710-Y714 HydrophobicContact CG-CE2 3.92Å; L710-Y714 VanDerWaalsContact O-CD2 3.27Å; L710-Y714 WeakPolarHBondContact O-CD2 3.36Å; L710-Y714 PolarHBondContact O-N 3.15Å; L710-I729 HydrophobicContact CD2-CD1 4Å
711	I	69.7	Low	67.1	Low	4 Å²	4	66.8 Å²	66.8	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-65.4	-39.3	179.8	-70.8	178.5	0	0	0	111.1	F707 E708 C713 Y714 L715 I726 F743 Y746 L747	F707-I711 WeakPolarHBondContact O-CG1 3.39Å; F707-I711 PolarHBondContact O-N 2.88Å; F707-I711 VanDerWaalsContact O-N 3.13Å; E708-I711 PolarHBondContact O-N 2.93Å; I711-C713 PolarHBondContact O-N 3.42Å; I711-Y714 PolarHBondContact O-N 3.04Å; I711-L715 HydrophobicContact CG2-CD1 3.62Å; I711-L715 HydrophobicContact CG2-CG 3.97Å; I711-L715 WeakPolarHBondContact O-CB 3.5Å; I711-L715 VanDerWaalsContact O-CG 3.32Å; I711-L715 WeakPolarHBondContact O-CG 3.49Å; I711-L715 PolarHBondContact O-N 3.23Å; I711-I726 HydrophobicContact CD1-CD1 4.44Å; I711-I726 HydrophobicContact CD1-CG1 3.91Å; I711-I726 HydrophobicContact CG1-CG1 4.46Å; I711-F743 HydrophobicContact CD1-CE2 3.46Å; I711-F743 VanDerWaalsContact CD1-CE2 3.46Å; I711-F743 HydrophobicContact CD1-CZ 3.66Å; I711-Y746 HydrophobicContact CB-CE1 4.28Å; I711-Y746 HydrophobicContact CD1-CE1 4.29Å; I711-Y746 HydrophobicContact CG2-CE1 4.03Å; I711-L747 HydrophobicContact CD1-CD2 4.16Å
712	K	70.7	Confident	67.2	Low	72 Å²	72	65.4 Å²	65.4	31%	0.313	33%	0.329	S	S	.	.	H	α-helix	trans	-57.9	-46.7	174.1	-69.1	163.5	-160.3	156	0	111.1	E708 D709 L710 Y714 L715 E716	E708-K712 VanDerWaalsContact O-CG 3.28Å; E708-K712 WeakPolarHBondContact O-CG 3.31Å; E708-K712 PolarHBondContact O-N 2.76Å; E708-K712 IonicContact OE2-NZ 2.85Å; E708-K712 PolarHBondContact OE2-NZ 2.84Å; D709-K712 PolarHBondContact O-N 2.93Å; D709-K712 IonicContact OD1-NZ 2.76Å; D709-K712 PolarHBondContact OD1-NZ 3.3Å; L710-K712 PolarHBondContact O-N 2.85Å; K712-Y714 VanDerWaalsContact C-N 3.29Å; K712-Y714 PolarHBondContact O-N 3.38Å; K712-L715 PolarHBondContact O-N 2.61Å; K712-E716 WeakPolarHBondContact O-CB 3.32Å; K712-E716 WeakPolarHBondContact O-CG 3.38Å; K712-E716 PolarHBondContact O-N 2.77Å
713	C	66.8	Low	67.3	Low	29 Å²	29	62.3 Å²	62.3	20%	0.196	31%	0.312	C	S	.	.	H	α-helix	trans	-59	-34.9	175.9	-71.3	0	0	0	0	114	M692 D709 L710 I711 S717	M692-C713 HydrophobicContact CE-CB 4.1Å; D709-C713 PolarHBondContact O-N 2.81Å; D709-C713 PolarHBondContact O-SG 3.13Å; L710-C713 PolarHBondContact O-N 3.32Å; I711-C713 PolarHBondContact O-N 3.42Å; C713-S717 PolarHBondContact O-OG 2.81Å
714	Y	66.6	Low	67.2	Low	20 Å²	20	61.5 Å²	61.5	8%	0.078	31%	0.314	C	S	.	.	H	α-helix	trans	-84.4	-26.6	178.7	-74.8	-64.4	0	0	0	113.9	S698 L710 I711 K712 S717 N718 S719 E721 S725	S698-Y714 WeakPolarHBondContact CB-OH 3.17Å; L710-Y714 HydrophobicContact CD1-CD2 4.16Å; L710-Y714 HydrophobicContact CD1-CE2 3.63Å; L710-Y714 HydrophobicContact CG-CD2 4.09Å; L710-Y714 HydrophobicContact CG-CE2 3.92Å; L710-Y714 VanDerWaalsContact O-CD2 3.27Å; L710-Y714 WeakPolarHBondContact O-CD2 3.36Å; L710-Y714 PolarHBondContact O-N 3.15Å; I711-Y714 PolarHBondContact O-N 3.04Å; K712-Y714 VanDerWaalsContact C-N 3.29Å; K712-Y714 PolarHBondContact O-N 3.38Å; Y714-S717 PolarHBondContact O-OG 2.86Å; Y714-N718 PolarHBondContact O-N 2.84Å; Y714-S719 VanDerWaalsContact CD1-OG 3.31Å; Y714-S719 WeakPolarHBondContact CD1-OG 3.23Å; Y714-S719 PolarHBondContact O-N 3.26Å; Y714-S719 PolarHBondContact O-OG 2.88Å; Y714-E721 HydrophobicContact CD1-CB 4.39Å; Y714-E721 HydrophobicContact CE1-CB 4.09Å; Y714-S725 WeakPolarHBondContact CE2-OG 3.26Å
715	L	66.9	Low	67.1	Low	39 Å²	39	60 Å²	60	20%	0.204	31%	0.308	C	S	.	.	H	α-helix	trans	-74.4	-40.1	172.3	-73.1	173.9	0	0	0	111.9	I711 K712 S717 N718 V722 I750 I757	I711-L715 HydrophobicContact CG2-CD1 3.62Å; I711-L715 HydrophobicContact CG2-CG 3.97Å; I711-L715 WeakPolarHBondContact O-CB 3.5Å; I711-L715 VanDerWaalsContact O-CG 3.32Å; I711-L715 WeakPolarHBondContact O-CG 3.49Å; I711-L715 PolarHBondContact O-N 3.23Å; K712-L715 PolarHBondContact O-N 2.61Å; L715-S717 PolarHBondContact O-N 2.76Å; L715-N718 PolarHBondContact O-N 2.67Å; L715-N718 VanDerWaalsContact O-N 3.15Å; L715-V722 HydrophobicContact CD2-CG2 4.46Å; L715-I750 HydrophobicContact CD1-CD1 4.25Å; L715-I750 HydrophobicContact CD1-CG2 4.13Å; L715-I750 HydrophobicContact CD2-CG2 4.43Å; L715-I757 HydrophobicContact CD2-CD1 4.12Å
716	E	65.3	Low	67.3	Low	162 Å²	162	53.7 Å²	53.7	76%	0.757	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.7	175	-75.1	176.4	-176.9	0	0	112.8	K712	K712-E716 WeakPolarHBondContact O-CB 3.32Å; K712-E716 WeakPolarHBondContact O-CG 3.38Å; K712-E716 PolarHBondContact O-N 2.77Å
717	S	60.4	Low	67.1	Low	65 Å²	65	49.6 Å²	49.6	46%	0.455	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-0.4	177.4	63.2	0	0	0	0	115	C713 Y714 L715 S719	C713-S717 PolarHBondContact O-OG 2.81Å; Y714-S717 PolarHBondContact O-OG 2.86Å; L715-S717 PolarHBondContact O-N 2.76Å; S717-S719 PolarHBondContact O-N 3.22Å; S717-S719 PolarHBondContact OG-OG 3.17Å
718	N	62.4	Low	66.8	Low	126 Å²	126	49.5 Å²	49.5	67%	0.674	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	33.8	-174.1	-76.6	-27.3	0	0	0	114	Y714 L715	Y714-N718 PolarHBondContact O-N 2.84Å; L715-N718 PolarHBondContact O-N 2.67Å; L715-N718 VanDerWaalsContact O-N 3.15Å
719	S	65.8	Low	66.8	Low	24 Å²	24	45.7 Å²	45.7	17%	0.168	26%	0.259	C	S	.	.			trans	-79.4	142.9	-175.8	61.2	0	0	0	0	112.9	Y714 S717 E721 V722	Y714-S719 VanDerWaalsContact CD1-OG 3.31Å; Y714-S719 WeakPolarHBondContact CD1-OG 3.23Å; Y714-S719 PolarHBondContact O-N 3.26Å; Y714-S719 PolarHBondContact O-OG 2.88Å; S717-S719 PolarHBondContact O-N 3.22Å; S717-S719 PolarHBondContact OG-OG 3.17Å; S719-E721 PolarHBondContact O-N 2.8Å; S719-V722 WeakPolarHBondContact O-CG2 3.46Å
720	T	64.8	Low	66.7	Low	81 Å²	81	44.1 Å²	44.1	50%	0.497	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-11.2	172.3	49	0	0	0	0	112.9	V722 Y723 L761	T720-V722 PolarHBondContact O-N 2.58Å; T720-Y723 WeakPolarHBondContact O-CD2 3.2Å; T720-Y723 PolarHBondContact O-N 2.85Å; T720-L761 HydrophobicContact CG2-CD1 4.36Å
721	E	65.4	Low	66.4	Low	105 Å²	105	50.2 Å²	50.2	49%	0.491	28%	0.277	S	S	.	.	H	α-helix	trans	-67.7	-10.1	173.5	-61.9	-179.1	179.9	0	0	113.6	Y714 S719 Y723 S724 S725	Y714-E721 HydrophobicContact CD1-CB 4.39Å; Y714-E721 HydrophobicContact CE1-CB 4.09Å; S719-E721 PolarHBondContact O-N 2.8Å; E721-Y723 VanDerWaalsContact C-N 3.27Å; E721-Y723 PolarHBondContact O-N 2.75Å; E721-S724 PolarHBondContact O-OG 2.95Å; E721-S725 WeakPolarHBondContact O-CB 3.12Å; E721-S725 PolarHBondContact O-N 2.8Å; E721-S725 PolarHBondContact O-OG 3.32Å
722	V	72.4	Confident	65.6	Low	1 Å²	1	58.2 Å²	58.2	1%	0.006	32%	0.315	C	S	.	.	H	α-helix	trans	-53.1	-45.2	167.7	174.9	0	0	0	0	110.8	L715 S719 T720 S725 I726 L754	L715-V722 HydrophobicContact CD2-CG2 4.46Å; S719-V722 WeakPolarHBondContact O-CG2 3.46Å; T720-V722 PolarHBondContact O-N 2.58Å; V722-S725 PolarHBondContact O-N 2.66Å; V722-I726 HydrophobicContact CG1-CD1 3.5Å; V722-I726 VanDerWaalsContact CG1-CD1 3.5Å; V722-I726 HydrophobicContact CG1-CG1 4.31Å; V722-I726 VanDerWaalsContact O-CG1 3.24Å; V722-I726 WeakPolarHBondContact O-CG1 3.43Å; V722-I726 PolarHBondContact O-N 3.13Å; V722-L754 HydrophobicContact CG1-CD2 3.88Å
723	Y	70.1	Confident	64.8	Low	14 Å²	14	56.8 Å²	56.8	6%	0.055	32%	0.316	C	S	.	.	H	α-helix	trans	-70.9	-39.7	-173.3	-61.7	-79.7	0	0	0	113	T720 E721 G727 L754 I757 D758 L761 C762	T720-Y723 WeakPolarHBondContact O-CD2 3.2Å; T720-Y723 PolarHBondContact O-N 2.85Å; E721-Y723 VanDerWaalsContact C-N 3.27Å; E721-Y723 PolarHBondContact O-N 2.75Å; Y723-G727 PolarHBondContact O-N 3.23Å; Y723-L754 HydrophobicContact CE1-CB 4.14Å; Y723-L754 HydrophobicContact CE1-CD2 3.92Å; Y723-L754 HydrophobicContact CE1-CG 4.45Å; Y723-L754 PolarHBondContact OH-O 3.18Å; Y723-I757 HydrophobicContact CE2-CG2 4.02Å; Y723-D758 HydrophobicContact CE2-CB 3.92Å; Y723-D758 PolarHBondContact OH-N 2.83Å; Y723-D758 VanDerWaalsContact OH-N 3.16Å; Y723-D758 PolarHBondContact OH-O 3.15Å; Y723-L761 HydrophobicContact CD1-CB 3.97Å; Y723-L761 HydrophobicContact CD2-CB 3.61Å; Y723-L761 HydrophobicContact CD2-CD1 3.59Å; Y723-L761 HydrophobicContact CD2-CG 4.25Å; Y723-L761 HydrophobicContact CE1-CB 4.22Å; Y723-L761 HydrophobicContact CE2-CB 3.89Å; Y723-L761 HydrophobicContact CE2-CD1 4.06Å; Y723-L761 HydrophobicContact CG-CB 3.66Å; Y723-L761 HydrophobicContact CG-CD1 4.28Å; Y723-C762 HydrophobicContact CE1-CB 4.01Å
724	S	65	Low	64.2	Low	81 Å²	81	63.7 Å²	63.7	57%	0.566	35%	0.345	S	S	*	.	H	α-helix	trans	-68.3	-39.2	174.4	49.2	0	0	0	0	111.3	E721 G727 G728	E721-S724 PolarHBondContact O-OG 2.95Å; S724-G727 PolarHBondContact O-N 3.1Å; S724-G728 PolarHBondContact O-N 3.19Å
725	S	65	Low	63.9	Low	24 Å²	24	64.3 Å²	64.3	17%	0.168	35%	0.35	C	S	.	.	H	α-helix	trans	-62.8	-47.2	175.8	-58.9	0	0	0	0	112	Y714 E721 V722 G728 I729	Y714-S725 WeakPolarHBondContact CE2-OG 3.26Å; E721-S725 WeakPolarHBondContact O-CB 3.12Å; E721-S725 PolarHBondContact O-N 2.8Å; E721-S725 PolarHBondContact O-OG 3.32Å; V722-S725 PolarHBondContact O-N 2.66Å; S725-G728 PolarHBondContact O-N 2.85Å; S725-I729 WeakPolarHBondContact O-CD1 3.43Å; S725-I729 WeakPolarHBondContact O-CG1 3.25Å; S725-I729 PolarHBondContact O-N 3.48Å
726	I	70.8	Confident	63.8	Low	1 Å²	1	66 Å²	66	1%	0.005	36%	0.362	C	S	.	.	H	α-helix	trans	-63.4	-44	175.4	-64.6	164.3	0	0	0	110.7	I711 V722 G728 I729 L730 L747 L754 L765	I711-I726 HydrophobicContact CD1-CD1 4.44Å; I711-I726 HydrophobicContact CD1-CG1 3.91Å; I711-I726 HydrophobicContact CG1-CG1 4.46Å; V722-I726 HydrophobicContact CG1-CD1 3.5Å; V722-I726 VanDerWaalsContact CG1-CD1 3.5Å; V722-I726 HydrophobicContact CG1-CG1 4.31Å; V722-I726 VanDerWaalsContact O-CG1 3.24Å; V722-I726 WeakPolarHBondContact O-CG1 3.43Å; V722-I726 PolarHBondContact O-N 3.13Å; I726-G728 PolarHBondContact O-N 3.27Å; I726-I729 PolarHBondContact O-N 2.87Å; I726-L730 HydrophobicContact CG2-CD1 3.77Å; I726-L730 HydrophobicContact CG2-CG 4.3Å; I726-L730 WeakPolarHBondContact O-CB 3.22Å; I726-L730 WeakPolarHBondContact O-CG 3.41Å; I726-L730 PolarHBondContact O-N 3.31Å; I726-L747 HydrophobicContact CD1-CD2 3.67Å; I726-L747 HydrophobicContact CG1-CD2 3.94Å; I726-L747 HydrophobicContact CG2-CD1 3.75Å; I726-L747 HydrophobicContact CG2-CD2 3.85Å; I726-L747 HydrophobicContact CG2-CG 4.48Å; I726-L754 HydrophobicContact CD1-CD1 4.38Å; I726-L765 HydrophobicContact CB-CD1 4.41Å; I726-L765 HydrophobicContact CG2-CD1 3.92Å; I726-L765 HydrophobicContact CG2-CD2 4.32Å
727	G	64.3	Low	63.7	Low	14 Å²	14	65.3 Å²	65.3	14%	0.144	36%	0.364	C	S	.	.	H	α-helix	trans	-61.8	-40.4	178.1	0	0	0	0	0	113.2	Y723 S724 L730 K731	Y723-G727 PolarHBondContact O-N 3.23Å; S724-G727 PolarHBondContact O-N 3.1Å; G727-L730 PolarHBondContact O-N 2.84Å; G727-K731 VanDerWaalsContact O-CB 3.31Å; G727-K731 WeakPolarHBondContact O-CB 3.42Å; G727-K731 WeakPolarHBondContact O-CG 3.49Å; G727-K731 PolarHBondContact O-N 3.13Å
728	G	64.1	Low	63.8	Low	26 Å²	26	68.6 Å²	68.6	27%	0.268	38%	0.376	S	S	.	.	H	α-helix	trans	-64.9	-48.1	174.3	0	0	0	0	0	112.1	S724 S725 I726 L730 K731 E732	S724-G728 PolarHBondContact O-N 3.19Å; S725-G728 PolarHBondContact O-N 2.85Å; I726-G728 PolarHBondContact O-N 3.27Å; G728-L730 VanDerWaalsContact C-N 3.27Å; G728-L730 PolarHBondContact O-N 3.43Å; G728-K731 PolarHBondContact O-N 3.02Å; G728-K731 VanDerWaalsContact O-N 3.14Å; G728-E732 PolarHBondContact O-N 3.06Å
729	I	68.1	Low	64	Low	7 Å²	7	65.6 Å²	65.6	4%	0.036	36%	0.358	C	S	.	.	H	α-helix	trans	-59.2	-38.6	176.3	-65.2	162.1	0	0	0	111.2	L702 F707 L710 S725 I726 A733 L735 F743	L702-I729 HydrophobicContact CD2-CD1 4.46Å; L702-I729 HydrophobicContact CD2-CG1 4.19Å; F707-I729 HydrophobicContact CD1-CD1 3.93Å; F707-I729 HydrophobicContact CD1-CG1 4.1Å; F707-I729 HydrophobicContact CD1-CG2 4.12Å; F707-I729 HydrophobicContact CE1-CG1 4.47Å; F707-I729 HydrophobicContact CE1-CG2 4.41Å; F707-I729 HydrophobicContact CG-CG2 4.47Å; L710-I729 HydrophobicContact CD2-CD1 4Å; S725-I729 WeakPolarHBondContact O-CD1 3.43Å; S725-I729 WeakPolarHBondContact O-CG1 3.25Å; S725-I729 PolarHBondContact O-N 3.48Å; I726-I729 PolarHBondContact O-N 2.87Å; I729-A733 VanDerWaalsContact O-CB 3.32Å; I729-A733 WeakPolarHBondContact O-CB 3.42Å; I729-L735 HydrophobicContact CG2-CD1 4.05Å; I729-L735 WeakPolarHBondContact O-CD1 3.44Å; I729-F743 HydrophobicContact CB-CE1 4.25Å; I729-F743 HydrophobicContact CB-CZ 4.22Å; I729-F743 HydrophobicContact CD1-CZ 4.05Å; I729-F743 HydrophobicContact CG2-CD1 4.25Å; I729-F743 HydrophobicContact CG2-CE1 3.58Å; I729-F743 HydrophobicContact CG2-CE2 4.44Å; I729-F743 HydrophobicContact CG2-CZ 3.69Å
730	L	66.7	Low	63.9	Low	28 Å²	28	65.5 Å²	65.5	15%	0.147	36%	0.357	C	S	.	.	H	α-helix	trans	-79.5	-15.2	178.6	-68.9	175.2	0	0	0	115	I726 G727 G728 F743 L747 H769 F770	I726-L730 HydrophobicContact CG2-CD1 3.77Å; I726-L730 HydrophobicContact CG2-CG 4.3Å; I726-L730 WeakPolarHBondContact O-CB 3.22Å; I726-L730 WeakPolarHBondContact O-CG 3.41Å; I726-L730 PolarHBondContact O-N 3.31Å; G727-L730 PolarHBondContact O-N 2.84Å; G728-L730 VanDerWaalsContact C-N 3.27Å; G728-L730 PolarHBondContact O-N 3.43Å; L730-F743 HydrophobicContact CD2-CD1 4.04Å; L730-F743 HydrophobicContact CD2-CE1 4.05Å; L730-F743 HydrophobicContact CG-CE1 4.23Å; L730-L747 HydrophobicContact CD1-CD1 4.11Å; L730-L747 HydrophobicContact CD2-CD1 4.49Å; L730-H769 HydrophobicContact CD1-CB 4.28Å; L730-F770 HydrophobicContact CD1-CE2 3.88Å; L730-F770 HydrophobicContact CD1-CZ 4.2Å
731	K	62.7	Low	64	Low	132 Å²	132	64.3 Å²	64.3	57%	0.574	36%	0.356	S	S	*	.	H	α-helix	trans	-108.9	-33.4	-178.4	-74.5	-179.1	174.1	167.7	0	114.3	G727 G728 D768 H769	G727-K731 VanDerWaalsContact O-CB 3.31Å; G727-K731 WeakPolarHBondContact O-CB 3.42Å; G727-K731 WeakPolarHBondContact O-CG 3.49Å; G727-K731 PolarHBondContact O-N 3.13Å; G728-K731 PolarHBondContact O-N 3.02Å; G728-K731 VanDerWaalsContact O-N 3.14Å; K731-D768 IonicContact NZ-OD2 3.83Å; K731-D768 PolarHBondContact NZ-OD2 3.45Å; K731-H769 VanDerWaalsContact CE-NE2 3.28Å; K731-H769 WeakPolarHBondContact CE-NE2 3.47Å
732	E	54.5	Low	64.3	Low	172 Å²	172	66 Å²	66	80%	0.804	36%	0.363	S	S	*	.	H	α-helix	trans	-114.8	-18.5	-169.7	-62.8	-173.1	149.5	0	0	114.5	G728	G728-E732 PolarHBondContact O-N 3.06Å
733	A	53.6	Low	64.3	Low	42 Å²	42	66.4 Å²	66.4	35%	0.347	37%	0.365	S	S	.	.			trans	-82.4	130.9	-179.5	0	0	0	0	0	112.2	I729 L735	I729-A733 VanDerWaalsContact O-CB 3.32Å; I729-A733 WeakPolarHBondContact O-CB 3.42Å; A733-L735 HydrophobicContact CB-CD1 4.26Å; A733-L735 HydrophobicContact CB-CG 3.95Å; A733-L735 PolarHBondContact O-N 2.99Å
734	E	53	Low	64.4	Low	173 Å²	173	71.1 Å²	71.1	81%	0.808	38%	0.383	S	S	*	.			trans	-69.4	63.8	162.8	-63.6	-177.1	156.5	0	0	110.5
735	L	60.9	Low	64.8	Low	34 Å²	34	75 Å²	75	18%	0.178	39%	0.389	C	S	.	.			trans	-67	134.1	172.1	-74.8	158	0	0	0	109.4	F707 I729 A733 E739	F707-L735 HydrophobicContact CD2-CD2 4.39Å; F707-L735 HydrophobicContact CE2-CD2 3.94Å; F707-L735 HydrophobicContact CZ-CD2 4.41Å; I729-L735 HydrophobicContact CG2-CD1 4.05Å; I729-L735 WeakPolarHBondContact O-CD1 3.44Å; A733-L735 HydrophobicContact CB-CD1 4.26Å; A733-L735 HydrophobicContact CB-CG 3.95Å; A733-L735 PolarHBondContact O-N 2.99Å; L735-E739 HydrophobicContact CD2-CB 3.89Å
736	T	65.2	Low	65.4	Low	73 Å²	73	75.9 Å²	75.9	45%	0.448	39%	0.389	S	S	.	.			trans	-67.9	157	166	58.7	0	0	0	0	110.6	D738 E739 S740	T736-D738 PolarHBondContact O-N 3.33Å; T736-E739 WeakPolarHBondContact CB-OE2 3.34Å; T736-E739 WeakPolarHBondContact CG2-OE2 3.49Å; T736-E739 PolarHBondContact N-OE2 3.13Å; T736-E739 PolarHBondContact O-N 3.37Å; T736-E739 WeakPolarHBondContact OG1-CB 3.45Å; T736-E739 WeakPolarHBondContact OG1-CG 3.33Å; T736-E739 PolarHBondContact OG1-N 3.22Å; T736-E739 PolarHBondContact OG1-OE2 3.36Å; T736-S740 WeakPolarHBondContact O-CB 3.47Å; T736-S740 PolarHBondContact O-N 3.43Å
737	D	61.7	Low	65.5	Low	149 Å²	149	76 Å²	76	80%	0.797	39%	0.39	S	S	*	.	H	α-helix	trans	-56.7	-37.5	-178.5	-68.8	-43.1	0	0	0	112.2	A741	D737-A741 WeakPolarHBondContact O-CB 3.34Å; D737-A741 PolarHBondContact O-N 2.79Å
738	D	63.7	Low	65.7	Low	134 Å²	134	79.6 Å²	79.6	72%	0.717	40%	0.404	S	S	*	.	H	α-helix	trans	-68.7	-48.1	176.7	-67.3	-34	0	0	0	112.1	T736 S740 A741 E742	T736-D738 PolarHBondContact O-N 3.33Å; D738-S740 VanDerWaalsContact C-N 3.3Å; D738-S740 PolarHBondContact O-N 2.97Å; D738-A741 PolarHBondContact O-N 2.96Å; D738-E742 WeakPolarHBondContact O-CB 3.14Å; D738-E742 PolarHBondContact O-N 3.43Å
739	E	65.4	Low	66.3	Low	62 Å²	62	82.4 Å²	82.4	29%	0.29	42%	0.42	S	S	.	.	H	α-helix	trans	-59.9	-40.4	175.3	-73	166	141.6	0	0	111.1	R705 L735 T736 F743	R705-E739 IonicContact NH1-OE1 2.76Å; R705-E739 IonicContact NH1-OE2 3.34Å; L735-E739 HydrophobicContact CD2-CB 3.89Å; T736-E739 WeakPolarHBondContact CB-OE2 3.34Å; T736-E739 WeakPolarHBondContact CG2-OE2 3.49Å; T736-E739 PolarHBondContact N-OE2 3.13Å; T736-E739 PolarHBondContact O-N 3.37Å; T736-E739 WeakPolarHBondContact OG1-CB 3.45Å; T736-E739 WeakPolarHBondContact OG1-CG 3.33Å; T736-E739 PolarHBondContact OG1-N 3.22Å; T736-E739 PolarHBondContact OG1-OE2 3.36Å; E739-F743 WeakPolarHBondContact O-CB 3.45Å; E739-F743 PolarHBondContact O-N 3.39Å
740	S	65.1	Low	66.7	Low	23 Å²	23	82.8 Å²	82.8	16%	0.161	42%	0.422	C	S	.	.	H	α-helix	trans	-66.6	-40.5	177.4	-163.5	0	0	0	0	111.7	T736 D738 R744	T736-S740 WeakPolarHBondContact O-CB 3.47Å; T736-S740 PolarHBondContact O-N 3.43Å; D738-S740 VanDerWaalsContact C-N 3.3Å; D738-S740 PolarHBondContact O-N 2.97Å; S740-R744 VanDerWaalsContact O-CB 3.23Å; S740-R744 WeakPolarHBondContact O-CB 3.42Å; S740-R744 WeakPolarHBondContact O-CD 3.41Å; S740-R744 WeakPolarHBondContact O-CG 3.39Å; S740-R744 PolarHBondContact O-N 3.08Å; S740-R744 PolarHBondContact OG-NE 3.14Å
741	A	66.9	Low	66.9	Low	56 Å²	56	82 Å²	82	46%	0.463	42%	0.418	S	S	.	.	H	α-helix	trans	-67.2	-43.8	176.4	0	0	0	0	0	112.3	D737 D738 K745	D737-A741 WeakPolarHBondContact O-CB 3.34Å; D737-A741 PolarHBondContact O-N 2.79Å; D738-A741 PolarHBondContact O-N 2.96Å; A741-K745 WeakPolarHBondContact O-CB 3.47Å; A741-K745 PolarHBondContact O-N 3.12Å
742	E	71.8	Confident	67.3	Low	139 Å²	139	81.8 Å²	81.8	65%	0.65	42%	0.418	S	S	*	.	H	α-helix	trans	-67.5	-44.1	178	-171.2	159	-129.9	0	0	111.5	D738 K745 Y746	D738-E742 WeakPolarHBondContact O-CB 3.14Å; D738-E742 PolarHBondContact O-N 3.43Å; E742-K745 WeakPolarHBondContact O-CB 3.46Å; E742-K745 PolarHBondContact O-N 3Å; E742-Y746 PolarHBondContact O-N 3.18Å
743	F	72.8	Confident	68.1	Low	11 Å²	11	77.5 Å²	77.5	5%	0.048	40%	0.401	C	S	.	.	H	α-helix	trans	-63.9	-43.1	175.2	-173.1	-112	0	0	0	112.4	F707 I711 I729 L730 E739 K745 Y746 L747	F707-F743 HydrophobicContact CB-CD2 4.1Å; F707-F743 HydrophobicContact CB-CE2 3.79Å; I711-F743 HydrophobicContact CD1-CE2 3.46Å; I711-F743 VanDerWaalsContact CD1-CE2 3.46Å; I711-F743 HydrophobicContact CD1-CZ 3.66Å; I729-F743 HydrophobicContact CB-CE1 4.25Å; I729-F743 HydrophobicContact CB-CZ 4.22Å; I729-F743 HydrophobicContact CD1-CZ 4.05Å; I729-F743 HydrophobicContact CG2-CD1 4.25Å; I729-F743 HydrophobicContact CG2-CE1 3.58Å; I729-F743 HydrophobicContact CG2-CE2 4.44Å; I729-F743 HydrophobicContact CG2-CZ 3.69Å; L730-F743 HydrophobicContact CD2-CD1 4.04Å; L730-F743 HydrophobicContact CD2-CE1 4.05Å; L730-F743 HydrophobicContact CG-CE1 4.23Å; E739-F743 WeakPolarHBondContact O-CB 3.45Å; E739-F743 PolarHBondContact O-N 3.39Å; F743-K745 VanDerWaalsContact C-N 3.32Å; F743-K745 PolarHBondContact O-N 2.66Å; F743-Y746 WeakPolarHBondContact O-CB 3.35Å; F743-Y746 PolarHBondContact O-N 3.24Å; F743-L747 HydrophobicContact CD1-CD1 3.82Å; F743-L747 HydrophobicContact CD1-CG 4.35Å; F743-L747 HydrophobicContact CE1-CD1 3.62Å; F743-L747 HydrophobicContact CE1-CG 4.21Å; F743-L747 HydrophobicContact CZ-CD1 4.26Å; F743-L747 HydrophobicContact CZ-CD2 4.41Å; F743-L747 HydrophobicContact CZ-CG 4.43Å; F743-L747 WeakPolarHBondContact O-CG 3.36Å; F743-L747 PolarHBondContact O-N 3.28Å
744	R	70.6	Confident	69	Low	113 Å²	113	75.7 Å²	75.7	43%	0.426	39%	0.386	S	S	.	.	H	α-helix	trans	-60.2	-41.4	172.7	-75.6	168.9	-175	-127	0.3	111.5	S740 L747 M748 F770	S740-R744 VanDerWaalsContact O-CB 3.23Å; S740-R744 WeakPolarHBondContact O-CB 3.42Å; S740-R744 WeakPolarHBondContact O-CD 3.41Å; S740-R744 WeakPolarHBondContact O-CG 3.39Å; S740-R744 PolarHBondContact O-N 3.08Å; S740-R744 PolarHBondContact OG-NE 3.14Å; R744-L747 PolarHBondContact O-N 3.05Å; R744-M748 VanDerWaalsContact O-CG 3.28Å; R744-M748 WeakPolarHBondContact O-CG 3.36Å; R744-M748 PolarHBondContact O-N 3.41Å; R744-F770 HydrophobicContact CB-CE1 4.35Å; R744-F770 HydrophobicContact CG-CE1 4.03Å; R744-F770 HydrophobicContact CG-CZ 4.21Å
745	K	74.9	Confident	69.9	Low	161 Å²	161	69.1 Å²	69.1	70%	0.7	35%	0.354	S	S	*	.	H	α-helix	trans	-64.5	-39.4	176.6	-172.3	-176.9	179.4	-173.1	0	112	A741 E742 F743 M748 S749	A741-K745 WeakPolarHBondContact O-CB 3.47Å; A741-K745 PolarHBondContact O-N 3.12Å; E742-K745 WeakPolarHBondContact O-CB 3.46Å; E742-K745 PolarHBondContact O-N 3Å; F743-K745 VanDerWaalsContact C-N 3.32Å; F743-K745 PolarHBondContact O-N 2.66Å; K745-M748 PolarHBondContact O-N 2.82Å; K745-S749 PolarHBondContact O-N 3.49Å
746	Y	76.9	Confident	70.2	Confident	43 Å²	43	74.6 Å²	74.6	17%	0.169	38%	0.377	C	S	.	.	H	α-helix	trans	-63.3	-47.6	172.2	-179.8	-110	0	0	0	111.6	E708 I711 E742 F743 M748 S749 I750	E708-Y746 HydrophobicContact CG-CE1 4.38Å; I711-Y746 HydrophobicContact CB-CE1 4.28Å; I711-Y746 HydrophobicContact CD1-CE1 4.29Å; I711-Y746 HydrophobicContact CG2-CE1 4.03Å; E742-Y746 PolarHBondContact O-N 3.18Å; F743-Y746 WeakPolarHBondContact O-CB 3.35Å; F743-Y746 PolarHBondContact O-N 3.24Å; Y746-M748 PolarHBondContact O-N 3.01Å; Y746-S749 WeakPolarHBondContact O-CB 3.44Å; Y746-S749 PolarHBondContact O-N 3.14Å; Y746-S749 PolarHBondContact O-OG 3.44Å; Y746-I750 HydrophobicContact CD1-CD1 3.96Å; Y746-I750 HydrophobicContact CD2-CD1 4.05Å; Y746-I750 HydrophobicContact CE1-CD1 3.47Å; Y746-I750 VanDerWaalsContact CE1-CD1 3.47Å; Y746-I750 HydrophobicContact CE2-CD1 3.56Å; Y746-I750 HydrophobicContact CG-CD1 4.23Å; Y746-I750 PolarHBondContact O-N 3.17Å
747	L	71.9	Confident	70.5	Confident	4 Å²	4	73.6 Å²	73.6	2%	0.021	37%	0.368	C	S	.	.	H	α-helix	trans	-57.4	-45.6	174.4	-70.1	175.2	0	0	0	112.5	I711 I726 L730 F743 R744 S749 I750 M751 F770	I711-L747 HydrophobicContact CD1-CD2 4.16Å; I726-L747 HydrophobicContact CD1-CD2 3.67Å; I726-L747 HydrophobicContact CG1-CD2 3.94Å; I726-L747 HydrophobicContact CG2-CD1 3.75Å; I726-L747 HydrophobicContact CG2-CD2 3.85Å; I726-L747 HydrophobicContact CG2-CG 4.48Å; L730-L747 HydrophobicContact CD1-CD1 4.11Å; L730-L747 HydrophobicContact CD2-CD1 4.49Å; F743-L747 HydrophobicContact CD1-CD1 3.82Å; F743-L747 HydrophobicContact CD1-CG 4.35Å; F743-L747 HydrophobicContact CE1-CD1 3.62Å; F743-L747 HydrophobicContact CE1-CG 4.21Å; F743-L747 HydrophobicContact CZ-CD1 4.26Å; F743-L747 HydrophobicContact CZ-CD2 4.41Å; F743-L747 HydrophobicContact CZ-CG 4.43Å; F743-L747 WeakPolarHBondContact O-CG 3.36Å; F743-L747 PolarHBondContact O-N 3.28Å; R744-L747 PolarHBondContact O-N 3.05Å; L747-S749 PolarHBondContact O-N 3.02Å; L747-I750 CarbonylContact O-C 3.59Å; L747-I750 PolarHBondContact O-N 3.37Å; L747-M751 VanDerWaalsContact O-CG 3.3Å; L747-M751 WeakPolarHBondContact O-CG 3.41Å; L747-M751 PolarHBondContact O-N 3.25Å; L747-F770 HydrophobicContact CD1-CE2 4.36Å; L747-F770 HydrophobicContact CD1-CZ 3.91Å
748	M	69	Low	71	Confident	89 Å²	89	68.7 Å²	68.7	44%	0.438	34%	0.342	S	S	.	.	H	α-helix	trans	-55.4	-36.5	174.9	-72.6	-57.4	-53.3	0	0	112.3	R744 K745 Y746 I750 M751 F770 V773	R744-M748 VanDerWaalsContact O-CG 3.28Å; R744-M748 WeakPolarHBondContact O-CG 3.36Å; R744-M748 PolarHBondContact O-N 3.41Å; K745-M748 PolarHBondContact O-N 2.82Å; Y746-M748 PolarHBondContact O-N 3.01Å; M748-I750 VanDerWaalsContact C-N 3.27Å; M748-I750 PolarHBondContact O-N 3.11Å; M748-M751 HydrophobicContact CE-SD 3.67Å; M748-M751 HydrophobicContact SD-SD 3.45Å; M748-F770 HydrophobicContact SD-CD1 4.38Å; M748-V773 HydrophobicContact CE-CG2 3.9Å; M748-V773 HydrophobicContact SD-CG2 3.84Å
749	S	76.4	Confident	71.3	Confident	85 Å²	85	62.8 Å²	62.8	59%	0.594	31%	0.313	S	S	*	.	H	α-helix	trans	-72.6	-15.7	176.9	75.1	0	0	0	0	114.5	K745 Y746 L747	K745-S749 PolarHBondContact O-N 3.49Å; Y746-S749 WeakPolarHBondContact O-CB 3.44Å; Y746-S749 PolarHBondContact O-N 3.14Å; Y746-S749 PolarHBondContact O-OG 3.44Å; L747-S749 PolarHBondContact O-N 3.02Å
750	I	76.9	Confident	72	Confident	16 Å²	16	63.7 Å²	63.7	8%	0.082	31%	0.313	C	S	.	.	H	α-helix	trans	-109.5	-7	-176.1	-69.1	164.4	0	0	0	112	L715 Y746 L747 M748 E752 N753 L754	L715-I750 HydrophobicContact CD1-CD1 4.25Å; L715-I750 HydrophobicContact CD1-CG2 4.13Å; L715-I750 HydrophobicContact CD2-CG2 4.43Å; Y746-I750 HydrophobicContact CD1-CD1 3.96Å; Y746-I750 HydrophobicContact CD2-CD1 4.05Å; Y746-I750 HydrophobicContact CE1-CD1 3.47Å; Y746-I750 VanDerWaalsContact CE1-CD1 3.47Å; Y746-I750 HydrophobicContact CE2-CD1 3.56Å; Y746-I750 HydrophobicContact CG-CD1 4.23Å; Y746-I750 PolarHBondContact O-N 3.17Å; L747-I750 CarbonylContact O-C 3.59Å; L747-I750 PolarHBondContact O-N 3.37Å; M748-I750 VanDerWaalsContact C-N 3.27Å; M748-I750 PolarHBondContact O-N 3.11Å; I750-E752 VanDerWaalsContact C-N 3.25Å; I750-E752 PolarHBondContact O-N 2.99Å; I750-E752 VanDerWaalsContact O-N 3.14Å; I750-N753 HydrophobicContact CG2-CB 4.4Å; I750-N753 WeakPolarHBondContact O-CA 3.37Å; I750-N753 WeakPolarHBondContact O-CB 3.2Å; I750-N753 PolarHBondContact O-N 3.24Å; I750-L754 HydrophobicContact CG2-CG 4.16Å; I750-L754 PolarHBondContact O-N 3.21Å
751	M	71.3	Confident	72.5	Confident	12 Å²	12	65.3 Å²	65.3	6%	0.059	32%	0.32	C	S	.	.	H	α-helix	trans	-53.7	-37.4	-179.5	-66.4	-169.1	82	0	0	113.7	L747 M748 N753 L754 F755 I766 V773	L747-M751 VanDerWaalsContact O-CG 3.3Å; L747-M751 WeakPolarHBondContact O-CG 3.41Å; L747-M751 PolarHBondContact O-N 3.25Å; M748-M751 HydrophobicContact CE-SD 3.67Å; M748-M751 HydrophobicContact SD-SD 3.45Å; M751-N753 VanDerWaalsContact C-N 3.25Å; M751-N753 PolarHBondContact O-N 2.91Å; M751-L754 PolarHBondContact O-N 2.93Å; M751-L754 VanDerWaalsContact O-N 3.15Å; M751-F755 HydrophobicContact CB-CE2 4.37Å; M751-F755 HydrophobicContact CB-CZ 4.15Å; M751-F755 HydrophobicContact CE-CE1 4.34Å; M751-F755 HydrophobicContact CE-CZ 4.28Å; M751-F755 WeakPolarHBondContact O-CD1 3.12Å; M751-F755 WeakPolarHBondContact O-CD2 3.36Å; M751-F755 WeakPolarHBondContact O-CG 3.29Å; M751-F755 PolarHBondContact O-N 3.1Å; M751-I766 HydrophobicContact CE-CD1 3.39Å; M751-I766 HydrophobicContact CE-CG1 3.59Å; M751-V773 HydrophobicContact CE-CG1 4.06Å; M751-V773 HydrophobicContact CE-CG2 4.49Å; M751-V773 HydrophobicContact SD-CG1 4.29Å; M751-V773 HydrophobicContact SD-CG2 4.38Å
752	E	69.9	Low	73.1	Confident	126 Å²	126	62.6 Å²	62.6	59%	0.589	30%	0.298	S	S	*	.	H	α-helix	trans	-65	-26.9	176.8	-68.1	-174.5	-171.3	0	0	113.9	I750 K756 M787	I750-E752 VanDerWaalsContact C-N 3.25Å; I750-E752 PolarHBondContact O-N 2.99Å; I750-E752 VanDerWaalsContact O-N 3.14Å; E752-K756 WeakPolarHBondContact O-CG 3.37Å; E752-M787 HydrophobicContact CB-CE 4.07Å; E752-M787 HydrophobicContact CG-CE 4.33Å
753	N	72.3	Confident	73.3	Confident	83 Å²	83	56 Å²	56	44%	0.444	27%	0.267	S	S	.	.	H	α-helix	trans	-81.1	-37.4	172.4	-66.9	-25.6	0	0	0	110.6	I750 M751 F755 K756 I757	I750-N753 HydrophobicContact CG2-CB 4.4Å; I750-N753 WeakPolarHBondContact O-CA 3.37Å; I750-N753 WeakPolarHBondContact O-CB 3.2Å; I750-N753 PolarHBondContact O-N 3.24Å; M751-N753 VanDerWaalsContact C-N 3.25Å; M751-N753 PolarHBondContact O-N 2.91Å; N753-F755 PolarHBondContact O-N 2.9Å; N753-K756 PolarHBondContact O-N 3.4Å; N753-K756 VanDerWaalsContact O-N 3.11Å; N753-I757 WeakPolarHBondContact O-CG1 3.26Å; N753-I757 PolarHBondContact O-N 2.86Å; N753-I757 VanDerWaalsContact O-N 3.15Å
754	L	71.8	Confident	73.6	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-38.9	173.4	-62.1	174.4	0	0	0	111.9	V722 Y723 I726 I750 M751 K756 I757 D758	V722-L754 HydrophobicContact CG1-CD2 3.88Å; Y723-L754 HydrophobicContact CE1-CB 4.14Å; Y723-L754 HydrophobicContact CE1-CD2 3.92Å; Y723-L754 HydrophobicContact CE1-CG 4.45Å; Y723-L754 PolarHBondContact OH-O 3.18Å; I726-L754 HydrophobicContact CD1-CD1 4.38Å; I750-L754 HydrophobicContact CG2-CG 4.16Å; I750-L754 PolarHBondContact O-N 3.21Å; M751-L754 PolarHBondContact O-N 2.93Å; M751-L754 VanDerWaalsContact O-N 3.15Å; L754-K756 PolarHBondContact O-N 2.86Å; L754-I757 PolarHBondContact O-N 3.06Å; L754-I757 VanDerWaalsContact O-N 3.16Å; L754-D758 PolarHBondContact O-N 3.34Å
755	F	71.7	Confident	73.9	Confident	35 Å²	35	53.2 Å²	53.2	15%	0.154	26%	0.261	C	S	.	.	H	α-helix	trans	-57.3	-30.8	172.8	-62.7	-27.5	0	0	0	113.1	M751 N753 C762 I766 M777 M787 V791	M751-F755 HydrophobicContact CB-CE2 4.37Å; M751-F755 HydrophobicContact CB-CZ 4.15Å; M751-F755 HydrophobicContact CE-CE1 4.34Å; M751-F755 HydrophobicContact CE-CZ 4.28Å; M751-F755 WeakPolarHBondContact O-CD1 3.12Å; M751-F755 WeakPolarHBondContact O-CD2 3.36Å; M751-F755 WeakPolarHBondContact O-CG 3.29Å; M751-F755 PolarHBondContact O-N 3.1Å; N753-F755 PolarHBondContact O-N 2.9Å; F755-C762 VanDerWaalsContact CD1-SG 3.55Å; F755-I766 HydrophobicContact CE1-CD1 3.77Å; F755-I766 HydrophobicContact CZ-CD1 4.48Å; F755-M777 HydrophobicContact CE1-CE 4.42Å; F755-M777 HydrophobicContact CZ-CE 4.31Å; F755-M787 HydrophobicContact CB-CE 4.37Å; F755-M787 HydrophobicContact CD2-CE 4.22Å; F755-V791 HydrophobicContact CD1-CG2 3.7Å; F755-V791 HydrophobicContact CE1-CG2 4.07Å
756	K	68.2	Low	74	Confident	150 Å²	150	45.5 Å²	45.5	65%	0.652	23%	0.228	S	C	*	.	H	α-helix	trans	-85.1	-24.3	179.5	-67	169.7	-173.2	164.8	0	113.7	E752 N753 L754	E752-K756 WeakPolarHBondContact O-CG 3.37Å; N753-K756 PolarHBondContact O-N 3.4Å; N753-K756 VanDerWaalsContact O-N 3.11Å; L754-K756 PolarHBondContact O-N 2.86Å
757	I	71.2	Confident	74	Confident	52 Å²	52	44.1 Å²	44.1	27%	0.267	22%	0.223	S	C	.	.	H	α-helix	trans	-80.3	-54.7	-179	-66.7	164.5	0	0	0	110.4	L715 Y723 N753 L754	L715-I757 HydrophobicContact CD2-CD1 4.12Å; Y723-I757 HydrophobicContact CE2-CG2 4.02Å; N753-I757 WeakPolarHBondContact O-CG1 3.26Å; N753-I757 PolarHBondContact O-N 2.86Å; N753-I757 VanDerWaalsContact O-N 3.15Å; L754-I757 PolarHBondContact O-N 3.06Å; L754-I757 VanDerWaalsContact O-N 3.16Å
758	D	72.1	Confident	74	Confident	45 Å²	45	47.8 Å²	47.8	24%	0.241	24%	0.243	C	C	.	.			trans	-157.5	113	177.6	-171.9	-36.9	0	0	0	111.4	Y723 L754 W760 L761 C762	Y723-D758 HydrophobicContact CE2-CB 3.92Å; Y723-D758 PolarHBondContact OH-N 2.83Å; Y723-D758 VanDerWaalsContact OH-N 3.16Å; Y723-D758 PolarHBondContact OH-O 3.15Å; L754-D758 PolarHBondContact O-N 3.34Å; D758-W760 PolarHBondContact O-N 3.1Å; D758-W760 WeakPolarHBondContact OD1-CA 3.35Å; D758-W760 WeakPolarHBondContact OD1-CB 3.4Å; D758-W760 PolarHBondContact OD1-N 3.37Å; D758-L761 HydrophobicContact CB-CB 4.18Å; D758-L761 HydrophobicContact CB-CD1 4.28Å; D758-L761 HydrophobicContact CB-CG 4.39Å; D758-L761 PolarHBondContact OD1-N 2.94Å; D758-L761 WeakPolarHBondContact OD2-CD1 3.37Å; D758-L761 WeakPolarHBondContact OD2-CG 2.98Å; D758-C762 WeakPolarHBondContact O-CB 3.44Å; D758-C762 PolarHBondContact O-N 3.01Å; D758-C762 VanDerWaalsContact O-N 3.11Å
759	G	71.3	Confident	74	Confident	10 Å²	10	45.6 Å²	45.6	10%	0.103	23%	0.231	C	C	.	.	H	α-helix	trans	-68.8	-27.1	-179.9	0	0	0	0	0	115.1	A763	G759-A763 WeakPolarHBondContact O-CB 3.14Å; G759-A763 PolarHBondContact O-N 2.84Å
760	W	78.4	Confident	73.9	Confident	81 Å²	81	42.3 Å²	42.3	31%	0.307	21%	0.206	S	C	.	.	H	α-helix	trans	-81.2	-45.2	-179.8	174.2	-100.7	0	0	0	111.8	D758 C762 A763 N764 Q797 L798 W832	D758-W760 PolarHBondContact O-N 3.1Å; D758-W760 WeakPolarHBondContact OD1-CA 3.35Å; D758-W760 WeakPolarHBondContact OD1-CB 3.4Å; D758-W760 PolarHBondContact OD1-N 3.37Å; W760-C762 VanDerWaalsContact C-N 3.29Å; W760-C762 PolarHBondContact O-N 3.33Å; W760-A763 WeakPolarHBondContact O-CB 3.12Å; W760-A763 PolarHBondContact O-N 3.35Å; W760-N764 PolarHBondContact NE1-ND2 2.97Å; W760-N764 PolarHBondContact O-N 2.8Å; W760-N764 VanDerWaalsContact O-N 3.13Å; W760-N764 PolarHBondContact O-ND2 2.9Å; W760-Q797 HydrophobicContact CH2-CG 4.44Å; W760-Q797 HydrophobicContact CZ3-CB 4.18Å; W760-Q797 HydrophobicContact CZ3-CG 4.37Å; W760-L798 HydrophobicContact CH2-CD2 3.8Å; W760-L798 HydrophobicContact CH2-CG 4Å; W760-L798 HydrophobicContact CZ2-CD2 4.04Å; W760-L798 HydrophobicContact CZ3-CG 4.35Å; W760-W832 HydrophobicContact CB-CD2 4.29Å; W760-W832 HydrophobicContact CB-CG 4.02Å; W760-W832 HydrophobicContact CE3-CD2 4.12Å; W760-W832 AromaticContact CE3-CE2 3.71Å; W760-W832 HydrophobicContact CE3-CE3 4.3Å; W760-W832 AromaticContact CE3-CH2 3.79Å; W760-W832 HydrophobicContact CE3-CH2 3.79Å; W760-W832 AromaticContact CE3-CZ2 3.57Å; W760-W832 HydrophobicContact CE3-CZ2 3.57Å; W760-W832 HydrophobicContact CE3-CZ3 4.14Å; W760-W832 AromaticContact CZ3-CH2 3.74Å; W760-W832 HydrophobicContact CZ3-CH2 3.74Å; W760-W832 AromaticContact CZ3-CZ2 3.83Å; W760-W832 HydrophobicContact CZ3-CZ2 3.83Å; W760-W832 HydrophobicContact CZ3-CZ3 4.3Å
761	L	76.4	Confident	73.5	Confident	57 Å²	57	48.2 Å²	48.2	30%	0.298	23%	0.227	S	C	.	.	H	α-helix	trans	-65.5	-36.5	174.8	-65.9	177.3	0	0	0	111.2	T720 Y723 D758 N764 L765	T720-L761 HydrophobicContact CG2-CD1 4.36Å; Y723-L761 HydrophobicContact CD1-CB 3.97Å; Y723-L761 HydrophobicContact CD2-CB 3.61Å; Y723-L761 HydrophobicContact CD2-CD1 3.59Å; Y723-L761 HydrophobicContact CD2-CG 4.25Å; Y723-L761 HydrophobicContact CE1-CB 4.22Å; Y723-L761 HydrophobicContact CE2-CB 3.89Å; Y723-L761 HydrophobicContact CE2-CD1 4.06Å; Y723-L761 HydrophobicContact CG-CB 3.66Å; Y723-L761 HydrophobicContact CG-CD1 4.28Å; D758-L761 HydrophobicContact CB-CB 4.18Å; D758-L761 HydrophobicContact CB-CD1 4.28Å; D758-L761 HydrophobicContact CB-CG 4.39Å; D758-L761 PolarHBondContact OD1-N 2.94Å; D758-L761 WeakPolarHBondContact OD2-CD1 3.37Å; D758-L761 WeakPolarHBondContact OD2-CG 2.98Å; L761-N764 PolarHBondContact O-N 2.91Å; L761-L765 PolarHBondContact O-N 3.24Å; L761-L765 VanDerWaalsContact O-N 3.16Å
762	C	78.9	Confident	73.4	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-40	172.3	-163.4	0	0	0	0	112.7	Y723 F755 D758 W760 N764 L765 I766	Y723-C762 HydrophobicContact CE1-CB 4.01Å; F755-C762 VanDerWaalsContact CD1-SG 3.55Å; D758-C762 WeakPolarHBondContact O-CB 3.44Å; D758-C762 PolarHBondContact O-N 3.01Å; D758-C762 VanDerWaalsContact O-N 3.11Å; W760-C762 VanDerWaalsContact C-N 3.29Å; W760-C762 PolarHBondContact O-N 3.33Å; C762-N764 VanDerWaalsContact C-N 3.34Å; C762-N764 PolarHBondContact O-N 3.44Å; C762-L765 PolarHBondContact O-N 3.48Å; C762-I766 WeakPolarHBondContact O-CG1 3.27Å; C762-I766 PolarHBondContact O-N 2.92Å
763	A	76.1	Confident	73.6	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.5	-41.3	174.9	0	0	0	0	0	113	G759 W760 I766 N767 V791 I795 L798	G759-A763 WeakPolarHBondContact O-CB 3.14Å; G759-A763 PolarHBondContact O-N 2.84Å; W760-A763 WeakPolarHBondContact O-CB 3.12Å; W760-A763 PolarHBondContact O-N 3.35Å; A763-I766 PolarHBondContact O-N 3.3Å; A763-N767 VanDerWaalsContact O-CB 3.3Å; A763-N767 WeakPolarHBondContact O-CB 3.39Å; A763-N767 PolarHBondContact O-N 2.83Å; A763-V791 HydrophobicContact CB-CG1 4.11Å; A763-V791 WeakPolarHBondContact CB-O 3.4Å; A763-I795 HydrophobicContact CB-CG1 4.16Å; A763-L798 HydrophobicContact CB-CD1 4.44Å
764	N	79.4	Confident	73.7	Confident	50 Å²	50	45.6 Å²	45.6	27%	0.267	22%	0.219	S	C	.	.	H	α-helix	trans	-62.2	-48.3	174.6	-76	-73.1	0	0	0	111.6	W760 L761 C762 I766 N767 D768 L798	W760-N764 PolarHBondContact NE1-ND2 2.97Å; W760-N764 PolarHBondContact O-N 2.8Å; W760-N764 VanDerWaalsContact O-N 3.13Å; W760-N764 PolarHBondContact O-ND2 2.9Å; L761-N764 PolarHBondContact O-N 2.91Å; C762-N764 VanDerWaalsContact C-N 3.34Å; C762-N764 PolarHBondContact O-N 3.44Å; N764-I766 VanDerWaalsContact C-N 3.29Å; N764-I766 PolarHBondContact O-N 3.39Å; N764-N767 PolarHBondContact O-N 3.05Å; N764-D768 PolarHBondContact O-N 3.43Å; N764-D768 VanDerWaalsContact O-N 3.14Å; N764-L798 WeakPolarHBondContact OD1-CD1 3.49Å; N764-L798 WeakPolarHBondContact OD1-CD2 3.42Å
765	L	76.8	Confident	73.8	Confident	15 Å²	15	47.6 Å²	47.6	8%	0.079	24%	0.236	C	C	.	.	H	α-helix	trans	-56.6	-42.7	178.2	-167.9	82.2	0	0	0	112.1	I726 L761 C762 H769	I726-L765 HydrophobicContact CB-CD1 4.41Å; I726-L765 HydrophobicContact CG2-CD1 3.92Å; I726-L765 HydrophobicContact CG2-CD2 4.32Å; L761-L765 PolarHBondContact O-N 3.24Å; L761-L765 VanDerWaalsContact O-N 3.16Å; C762-L765 PolarHBondContact O-N 3.48Å; L765-H769 PolarHBondContact O-N 2.87Å
766	I	77.5	Confident	73.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-73.7	-41.9	-176.6	-69.4	168.6	0	0	0	111.8	M751 F755 C762 A763 N764 D768 F770 R771 I774 M777 V791 I795	M751-I766 HydrophobicContact CE-CD1 3.39Å; M751-I766 HydrophobicContact CE-CG1 3.59Å; F755-I766 HydrophobicContact CE1-CD1 3.77Å; F755-I766 HydrophobicContact CZ-CD1 4.48Å; C762-I766 WeakPolarHBondContact O-CG1 3.27Å; C762-I766 PolarHBondContact O-N 2.92Å; A763-I766 PolarHBondContact O-N 3.3Å; N764-I766 VanDerWaalsContact C-N 3.29Å; N764-I766 PolarHBondContact O-N 3.39Å; I766-D768 VanDerWaalsContact C-N 3.31Å; I766-D768 PolarHBondContact O-N 3.07Å; I766-F770 HydrophobicContact CG2-CB 4.5Å; I766-F770 CarbonylContact O-C 3.51Å; I766-F770 VanDerWaalsContact O-C 3.23Å; I766-F770 WeakPolarHBondContact O-CA 3.29Å; I766-F770 PolarHBondContact O-N 3.46Å; I766-R771 PolarHBondContact O-N 2.79Å; I766-I774 HydrophobicContact CG2-CD1 4.32Å; I766-I774 HydrophobicContact CG2-CG1 3.75Å; I766-M777 HydrophobicContact CD1-CE 3.78Å; I766-M777 HydrophobicContact CG2-CE 4.2Å; I766-V791 HydrophobicContact CD1-CG1 3.88Å; I766-I795 HydrophobicContact CG2-CD1 4.24Å
767	N	76.6	Confident	74.2	Confident	13 Å²	13	41.9 Å²	41.9	7%	0.07	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-36.5	178.1	-177.9	58	0	0	0	112.9	A763 N764 R771 L798 R799	A763-N767 VanDerWaalsContact O-CB 3.3Å; A763-N767 WeakPolarHBondContact O-CB 3.39Å; A763-N767 PolarHBondContact O-N 2.83Å; N764-N767 PolarHBondContact O-N 3.05Å; N767-R771 PolarHBondContact O-NE 3.06Å; N767-R771 VanDerWaalsContact O-NE 3.08Å; N767-L798 HydrophobicContact CB-CD1 4.41Å; N767-R799 VanDerWaalsContact OD1-CZ 3.27Å; N767-R799 PolarHBondContact OD1-NH1 2.97Å; N767-R799 PolarHBondContact OD1-NH2 3.2Å
768	D	71.9	Confident	74.2	Confident	82 Å²	82	41 Å²	41	44%	0.439	22%	0.219	S	C	.	.	H	α-helix	trans	-76.6	-48.2	177.5	-86.3	18.7	0	0	0	112.7	K731 N764 I766	K731-D768 IonicContact NZ-OD2 3.83Å; K731-D768 PolarHBondContact NZ-OD2 3.45Å; N764-D768 PolarHBondContact O-N 3.43Å; N764-D768 VanDerWaalsContact O-N 3.14Å; I766-D768 VanDerWaalsContact C-N 3.31Å; I766-D768 PolarHBondContact O-N 3.07Å
769	H	69.7	Low	74.4	Confident	42 Å²	42	42.7 Å²	42.7	19%	0.194	22%	0.224	C	C	.	.	H	α-helix	trans	-117.7	-20.6	-164.7	-64.8	-77.9	0	0	0	116.4	L730 K731 L765	L730-H769 HydrophobicContact CD1-CB 4.28Å; K731-H769 VanDerWaalsContact CE-NE2 3.28Å; K731-H769 WeakPolarHBondContact CE-NE2 3.47Å; L765-H769 PolarHBondContact O-N 2.87Å
770	F	74.2	Confident	74	Confident	17 Å²	17	47.6 Å²	47.6	8%	0.075	26%	0.257	C	S	.	.			trans	-133.1	48	-168.1	-64.1	-81.8	0	0	0	113	L730 R744 L747 M748 I766 D772 V773	L730-F770 HydrophobicContact CD1-CE2 3.88Å; L730-F770 HydrophobicContact CD1-CZ 4.2Å; R744-F770 HydrophobicContact CB-CE1 4.35Å; R744-F770 HydrophobicContact CG-CE1 4.03Å; R744-F770 HydrophobicContact CG-CZ 4.21Å; L747-F770 HydrophobicContact CD1-CE2 4.36Å; L747-F770 HydrophobicContact CD1-CZ 3.91Å; M748-F770 HydrophobicContact SD-CD1 4.38Å; I766-F770 HydrophobicContact CG2-CB 4.5Å; I766-F770 CarbonylContact O-C 3.51Å; I766-F770 VanDerWaalsContact O-C 3.23Å; I766-F770 WeakPolarHBondContact O-CA 3.29Å; I766-F770 PolarHBondContact O-N 3.46Å; F770-D772 PolarHBondContact O-N 3.19Å; F770-V773 HydrophobicContact CB-CB 4.49Å; F770-V773 HydrophobicContact CB-CG2 3.91Å; F770-V773 WeakPolarHBondContact O-CB 3.31Å; F770-V773 PolarHBondContact O-N 3.2Å
771	R	67.6	Low	74.1	Confident	139 Å²	139	48.3 Å²	48.3	53%	0.525	27%	0.266	S	S	.	.	H	α-helix	trans	-58.4	-32.9	-177.3	-65.2	-176	-174.9	169	6.4	113.9	I766 N767 V773 I774	I766-R771 PolarHBondContact O-N 2.79Å; N767-R771 PolarHBondContact O-NE 3.06Å; N767-R771 VanDerWaalsContact O-NE 3.08Å; R771-V773 PolarHBondContact O-N 3.11Å; R771-I774 HydrophobicContact CB-CD1 4.46Å; R771-I774 VanDerWaalsContact O-CB 3.27Å; R771-I774 WeakPolarHBondContact O-CB 3.42Å; R771-I774 WeakPolarHBondContact O-CG1 3.47Å; R771-I774 PolarHBondContact O-N 2.99Å
772	D	69.7	Low	74	Confident	149 Å²	149	49.3 Å²	49.3	80%	0.797	27%	0.27	S	S	*	.	H	α-helix	trans	-60.8	-27	177.8	-50.9	-41.5	0	0	0	112.5	F770 I774	F770-D772 PolarHBondContact O-N 3.19Å; D772-I774 VanDerWaalsContact C-N 3.29Å; D772-I774 PolarHBondContact O-N 3.04Å
773	V	73.6	Confident	73.8	Confident	17 Å²	17	55.5 Å²	55.5	10%	0.103	30%	0.298	C	S	.	.	H	α-helix	trans	-70.5	-27.6	177.3	-173.4	0	0	0	0	111.1	M748 M751 F770 R771 A775 S776 M777	M748-V773 HydrophobicContact CE-CG2 3.9Å; M748-V773 HydrophobicContact SD-CG2 3.84Å; M751-V773 HydrophobicContact CE-CG1 4.06Å; M751-V773 HydrophobicContact CE-CG2 4.49Å; M751-V773 HydrophobicContact SD-CG1 4.29Å; M751-V773 HydrophobicContact SD-CG2 4.38Å; F770-V773 HydrophobicContact CB-CB 4.49Å; F770-V773 HydrophobicContact CB-CG2 3.91Å; F770-V773 WeakPolarHBondContact O-CB 3.31Å; F770-V773 PolarHBondContact O-N 3.2Å; R771-V773 PolarHBondContact O-N 3.11Å; V773-A775 VanDerWaalsContact C-N 3.33Å; V773-A775 PolarHBondContact O-N 3.19Å; V773-S776 WeakPolarHBondContact O-CA 3.45Å; V773-S776 WeakPolarHBondContact O-CB 3.39Å; V773-S776 PolarHBondContact O-N 2.98Å; V773-S776 PolarHBondContact O-OG 3.3Å; V773-M777 HydrophobicContact CG1-CE 4.17Å; V773-M777 WeakPolarHBondContact O-CG 3.48Å; V773-M777 PolarHBondContact O-N 2.84Å
774	I	74.8	Confident	73.7	Confident	1 Å²	1	59 Å²	59	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-62.3	-39.7	179.4	-52.6	175.1	0	0	0	110.7	I766 R771 D772 S776 M777 L792 I795 F807 L817	I766-I774 HydrophobicContact CG2-CD1 4.32Å; I766-I774 HydrophobicContact CG2-CG1 3.75Å; R771-I774 HydrophobicContact CB-CD1 4.46Å; R771-I774 VanDerWaalsContact O-CB 3.27Å; R771-I774 WeakPolarHBondContact O-CB 3.42Å; R771-I774 WeakPolarHBondContact O-CG1 3.47Å; R771-I774 PolarHBondContact O-N 2.99Å; D772-I774 VanDerWaalsContact C-N 3.29Å; D772-I774 PolarHBondContact O-N 3.04Å; I774-S776 VanDerWaalsContact C-N 3.26Å; I774-S776 PolarHBondContact O-N 3.08Å; I774-M777 VanDerWaalsContact O-CB 3.31Å; I774-M777 WeakPolarHBondContact O-CB 3.3Å; I774-M777 PolarHBondContact O-N 3.42Å; I774-M777 VanDerWaalsContact O-N 3.14Å; I774-L792 HydrophobicContact CG2-CD2 4.5Å; I774-I795 HydrophobicContact CD1-CD1 4.13Å; I774-I795 HydrophobicContact CD1-CG2 4.39Å; I774-I795 HydrophobicContact CG1-CD1 4.05Å; I774-F807 HydrophobicContact CG2-CB 4.32Å; I774-L817 HydrophobicContact CG2-CD1 4.08Å
775	A	74.1	Confident	73.7	Confident	45 Å²	45	58.5 Å²	58.5	37%	0.372	31%	0.309	S	S	.	.	H	α-helix	trans	-62.6	-33.7	173.9	0	0	0	0	0	112.3	V773 M777	V773-A775 VanDerWaalsContact C-N 3.33Å; V773-A775 PolarHBondContact O-N 3.19Å; A775-M777 PolarHBondContact O-N 3.14Å
776	S	74.4	Confident	73.7	Confident	60 Å²	60	60.8 Å²	60.8	42%	0.42	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-9.4	177.9	84.3	0	0	0	0	114.5	V773 I774 K779	V773-S776 WeakPolarHBondContact O-CA 3.45Å; V773-S776 WeakPolarHBondContact O-CB 3.39Å; V773-S776 PolarHBondContact O-N 2.98Å; V773-S776 PolarHBondContact O-OG 3.3Å; I774-S776 VanDerWaalsContact C-N 3.26Å; I774-S776 PolarHBondContact O-N 3.08Å; S776-K779 WeakPolarHBondContact O-CD 3.4Å; S776-K779 VanDerWaalsContact O-CE 3.23Å; S776-K779 WeakPolarHBondContact O-CE 3.32Å; S776-K779 PolarHBondContact O-NZ 3.24Å
777	M	73.8	Confident	73.6	Confident	5 Å²	5	64 Å²	64	3%	0.025	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-9.2	179	-68.9	-178.7	178.4	0	0	113.9	F755 I766 V773 I774 A775 K779 V788 V791 L792 I795 L817	F755-M777 HydrophobicContact CE1-CE 4.42Å; F755-M777 HydrophobicContact CZ-CE 4.31Å; I766-M777 HydrophobicContact CD1-CE 3.78Å; I766-M777 HydrophobicContact CG2-CE 4.2Å; V773-M777 HydrophobicContact CG1-CE 4.17Å; V773-M777 WeakPolarHBondContact O-CG 3.48Å; V773-M777 PolarHBondContact O-N 2.84Å; I774-M777 VanDerWaalsContact O-CB 3.31Å; I774-M777 WeakPolarHBondContact O-CB 3.3Å; I774-M777 PolarHBondContact O-N 3.42Å; I774-M777 VanDerWaalsContact O-N 3.14Å; A775-M777 PolarHBondContact O-N 3.14Å; M777-K779 PolarHBondContact O-N 3.32Å; M777-V788 HydrophobicContact CB-CG1 3.66Å; M777-V788 HydrophobicContact CE-CG1 4.48Å; M777-V788 HydrophobicContact CG-CG1 3.55Å; M777-V788 HydrophobicContact SD-CG1 3.67Å; M777-V791 HydrophobicContact CE-CG1 3.89Å; M777-V791 HydrophobicContact SD-CG1 4.49Å; M777-L792 HydrophobicContact CB-CD1 4.3Å; M777-L792 HydrophobicContact CB-CD2 4.12Å; M777-L792 HydrophobicContact CB-CG 4.43Å; M777-L792 HydrophobicContact SD-CD2 3.71Å; M777-L792 HydrophobicContact SD-CG 4.04Å; M777-I795 HydrophobicContact SD-CD1 4.39Å; M777-L817 HydrophobicContact CB-CD2 4.06Å
778	A	69.9	Low	73.8	Confident	34 Å²	34	64 Å²	64	28%	0.281	34%	0.335	S	S	.	.			trans	-73.4	62.8	175.8	0	0	0	0	0	112.1	L817	A778-L817 HydrophobicContact CB-CD2 4.03Å; A778-L817 HydrophobicContact CB-CG 4.47Å
779	K	77.3	Confident	74.3	Confident	80 Å²	80	60.2 Å²	60.2	35%	0.348	31%	0.314	S	S	.	.			trans	-78.7	145.1	-176.8	-57.9	-55.7	-162.4	-157.6	0	112.1	S776 M777 E784 R785	S776-K779 WeakPolarHBondContact O-CD 3.4Å; S776-K779 VanDerWaalsContact O-CE 3.23Å; S776-K779 WeakPolarHBondContact O-CE 3.32Å; S776-K779 PolarHBondContact O-NZ 3.24Å; M777-K779 PolarHBondContact O-N 3.32Å; K779-E784 HydrophobicContact CB-CB 3.82Å; K779-E784 WeakPolarHBondContact CD-OE2 3.44Å; K779-E784 HydrophobicContact CG-CB 3.95Å; K779-E784 WeakPolarHBondContact CG-OE2 3.35Å; K779-R785 HydrophobicContact CB-CG 4.3Å; K779-R785 VanDerWaalsContact O-CD 3.27Å; K779-R785 WeakPolarHBondContact O-CD 3.22Å; K779-R785 VanDerWaalsContact O-CG 3.32Å; K779-R785 WeakPolarHBondContact O-CG 3.45Å
780	S	63.7	Low	74.8	Confident	113 Å²	113	59.1 Å²	59.1	79%	0.79	31%	0.311	S	S	*	.	S	Bend	trans	-87.3	-21.6	178.3	-48.7	0	0	0	0	114
781	N	80.2	Confident	75.1	Confident	95 Å²	95	58.3 Å²	58.3	51%	0.508	31%	0.308	S	S	.	.	S	Bend	trans	-87.6	139	-176.3	-70.7	-26.3	0	0	0	112	E783 E784 R785	N781-E783 PolarHBondContact O-N 3.11Å; N781-E784 HydrophobicContact CB-CB 4.23Å; N781-E784 HydrophobicContact CB-CG 4.05Å; N781-E784 PolarHBondContact ND2-OE1 3Å; N781-E784 PolarHBondContact O-N 2.71Å; N781-R785 VanDerWaalsContact O-CG 3.3Å; N781-R785 WeakPolarHBondContact O-CG 3.3Å; N781-R785 PolarHBondContact O-N 2.92Å
782	E	74.1	Confident	75.8	Confident	78 Å²	78	51.7 Å²	51.7	36%	0.364	28%	0.283	S	S	.	.	H	α-helix	trans	-65.3	-41	-176.6	-170.5	169.3	175.6	0	0	114	E784 R785 K786 K827 W829	E782-E784 VanDerWaalsContact C-N 3.33Å; E782-E784 PolarHBondContact O-N 3.21Å; E782-R785 PolarHBondContact O-N 3.02Å; E782-K786 WeakPolarHBondContact O-CG 3.42Å; E782-K786 PolarHBondContact O-N 3.39Å; E782-K827 VanDerWaalsContact CD-NZ 3.29Å; E782-K827 IonicContact OE1-NZ 3.59Å; E782-K827 PolarHBondContact OE1-NZ 3.02Å; E782-K827 IonicContact OE2-NZ 2.66Å; E782-K827 PolarHBondContact OE2-NZ 3.36Å; E782-W829 HydrophobicContact CG-CH2 4.4Å; E782-W829 HydrophobicContact CG-CZ2 3.83Å
783	E	73.3	Confident	76.3	Confident	130 Å²	130	44.6 Å²	44.6	61%	0.607	25%	0.245	S	C	*	.	H	α-helix	trans	-66.4	-34.3	177.6	-63.9	-54.6	127.6	0	0	112.8	N781 K786 M787	N781-E783 PolarHBondContact O-N 3.11Å; E783-K786 PolarHBondContact O-N 3.22Å; E783-K786 IonicContact OE1-NZ 3.57Å; E783-K786 PolarHBondContact OE1-NZ 3.19Å; E783-K786 IonicContact OE2-NZ 3.67Å; E783-M787 PolarHBondContact O-N 2.89Å; E783-M787 VanDerWaalsContact O-N 3.15Å
784	E	75.9	Confident	76.4	Confident	75 Å²	75	43.8 Å²	43.8	35%	0.35	24%	0.24	S	C	.	.	H	α-helix	trans	-69.4	-39.5	173.5	-66.2	172.4	-143.6	0	0	111.2	K779 N781 E782 M787 V788	K779-E784 HydrophobicContact CB-CB 3.82Å; K779-E784 WeakPolarHBondContact CD-OE2 3.44Å; K779-E784 HydrophobicContact CG-CB 3.95Å; K779-E784 WeakPolarHBondContact CG-OE2 3.35Å; N781-E784 HydrophobicContact CB-CB 4.23Å; N781-E784 HydrophobicContact CB-CG 4.05Å; N781-E784 PolarHBondContact ND2-OE1 3Å; N781-E784 PolarHBondContact O-N 2.71Å; E782-E784 VanDerWaalsContact C-N 3.33Å; E782-E784 PolarHBondContact O-N 3.21Å; E784-M787 PolarHBondContact O-N 2.77Å; E784-V788 WeakPolarHBondContact O-CG2 3.46Å; E784-V788 PolarHBondContact O-N 2.79Å
785	R	77.7	Confident	76.7	Confident	39 Å²	39	43.8 Å²	43.8	15%	0.147	24%	0.24	C	C	.	.	H	α-helix	trans	-63	-39.7	174.4	-70.5	-174.5	-64.2	155.4	23.6	111.9	K779 N781 E782 V788 F789 I820 E823 W829	K779-R785 HydrophobicContact CB-CG 4.3Å; K779-R785 VanDerWaalsContact O-CD 3.27Å; K779-R785 WeakPolarHBondContact O-CD 3.22Å; K779-R785 VanDerWaalsContact O-CG 3.32Å; K779-R785 WeakPolarHBondContact O-CG 3.45Å; N781-R785 VanDerWaalsContact O-CG 3.3Å; N781-R785 WeakPolarHBondContact O-CG 3.3Å; N781-R785 PolarHBondContact O-N 2.92Å; E782-R785 PolarHBondContact O-N 3.02Å; R785-V788 PolarHBondContact O-N 3.45Å; R785-F789 WeakPolarHBondContact O-CB 3.05Å; R785-F789 PolarHBondContact O-N 2.81Å; R785-I820 HydrophobicContact CB-CG2 4.07Å; R785-I820 HydrophobicContact CG-CD1 4.11Å; R785-I820 HydrophobicContact CG-CG1 4.1Å; R785-I820 HydrophobicContact CG-CG2 4.32Å; R785-E823 IonicContact CZ-OE1 2.87Å; R785-E823 IonicContact CZ-OE2 3.71Å; R785-E823 IonicContact NH1-OE1 3.67Å; R785-E823 IonicContact NH1-OE2 3.63Å; R785-E823 PolarHBondContact NH1-OE2 2.81Å; R785-E823 VanDerWaalsContact NH2-CD 3.33Å; R785-E823 IonicContact NH2-OE1 2.66Å; R785-E823 PolarHBondContact NH2-OE1 3.46Å; R785-E823 IonicContact NH2-OE2 3.72Å; R785-E823 PolarHBondContact NH2-OE2 3.41Å; R785-E823 VanDerWaalsContact NH2-OE2 3.13Å; R785-W829 HydrophobicContact CB-CH2 3.74Å; R785-W829 HydrophobicContact CB-CZ3 3.82Å
786	K	77.3	Confident	77	Confident	62 Å²	62	41.7 Å²	41.7	27%	0.27	22%	0.223	S	C	.	.	H	α-helix	trans	-59.9	-45.2	172.6	-74.9	170.7	-176.3	169.5	0	112.8	E782 E783 V788 P790 W829	E782-K786 WeakPolarHBondContact O-CG 3.42Å; E782-K786 PolarHBondContact O-N 3.39Å; E783-K786 PolarHBondContact O-N 3.22Å; E783-K786 IonicContact OE1-NZ 3.57Å; E783-K786 PolarHBondContact OE1-NZ 3.19Å; E783-K786 IonicContact OE2-NZ 3.67Å; K786-V788 VanDerWaalsContact C-N 3.29Å; K786-V788 PolarHBondContact O-N 3.45Å; K786-P790 WeakPolarHBondContact O-CD 3.32Å; K786-W829 HydrophobicContact CB-CD2 4.39Å; K786-W829 HydrophobicContact CB-CE3 4.47Å; K786-W829 HydrophobicContact CG-CD2 3.54Å; K786-W829 VanDerWaalsContact CG-CE2 3.5Å; K786-W829 HydrophobicContact CG-CE3 4Å; K786-W829 HydrophobicContact CG-CG 3.91Å; K786-W829 HydrophobicContact CG-CH2 4.36Å; K786-W829 HydrophobicContact CG-CZ2 3.93Å; K786-W829 HydrophobicContact CG-CZ3 4.39Å
787	M	76.5	Confident	77.2	Confident	69 Å²	69	42 Å²	42	34%	0.34	22%	0.217	S	C	.	.	H	α-helix	trans	-64	-35.5	-179.2	-172	179.2	-170.8	0	0	112.5	E752 F755 E783 E784	E752-M787 HydrophobicContact CB-CE 4.07Å; E752-M787 HydrophobicContact CG-CE 4.33Å; F755-M787 HydrophobicContact CB-CE 4.37Å; F755-M787 HydrophobicContact CD2-CE 4.22Å; E783-M787 PolarHBondContact O-N 2.89Å; E783-M787 VanDerWaalsContact O-N 3.15Å; E784-M787 PolarHBondContact O-N 2.77Å
788	V	80.2	Confident	77.5	Confident	11 Å²	11	42.8 Å²	42.8	7%	0.067	22%	0.222	C	C	.	.	H	α-helix	trans	-92.1	-17.6	-174.2	178.8	0	0	0	0	112.5	M777 E784 R785 K786 V791 L792	M777-V788 HydrophobicContact CB-CG1 3.66Å; M777-V788 HydrophobicContact CE-CG1 4.48Å; M777-V788 HydrophobicContact CG-CG1 3.55Å; M777-V788 HydrophobicContact SD-CG1 3.67Å; E784-V788 WeakPolarHBondContact O-CG2 3.46Å; E784-V788 PolarHBondContact O-N 2.79Å; R785-V788 PolarHBondContact O-N 3.45Å; K786-V788 VanDerWaalsContact C-N 3.29Å; K786-V788 PolarHBondContact O-N 3.45Å; V788-V791 WeakPolarHBondContact O-CB 3.39Å; V788-V791 PolarHBondContact O-N 3.32Å; V788-V791 VanDerWaalsContact O-N 3.1Å; V788-L792 HydrophobicContact CG1-CD1 3.8Å; V788-L792 HydrophobicContact CG1-CG 3.86Å; V788-L792 PolarHBondContact O-N 2.99Å
789	F	82	Confident	78	Confident	3 Å²	3	41.7 Å²	41.7	1%	0.013	21%	0.21	C	C	.	.	H	α-helix	trans	-51.8	-47.9	-179.8	166.8	-106.1	0	0	0	115.2	R785 V791 L792 A793 I825 W829	R785-F789 WeakPolarHBondContact O-CB 3.05Å; R785-F789 PolarHBondContact O-N 2.81Å; F789-V791 PolarHBondContact O-N 2.84Å; F789-L792 PolarHBondContact O-N 3.37Å; F789-A793 HydrophobicContact CE2-CB 4.23Å; F789-A793 HydrophobicContact CZ-CB 4.47Å; F789-A793 WeakPolarHBondContact O-CB 3.22Å; F789-A793 PolarHBondContact O-N 3.39Å; F789-I825 HydrophobicContact CE2-CG1 4.21Å; F789-I825 HydrophobicContact CZ-CG1 4.17Å; F789-W829 HydrophobicContact CB-CE3 3.71Å; F789-W829 HydrophobicContact CB-CZ3 4.27Å; F789-W829 HydrophobicContact CD1-CB 3.66Å; F789-W829 HydrophobicContact CD1-CE3 4.41Å; F789-W829 HydrophobicContact CD2-CE3 4.21Å; F789-W829 HydrophobicContact CE1-CB 3.89Å; F789-W829 WeakPolarHBondContact CE1-O 3.44Å; F789-W829 HydrophobicContact CG-CB 4.27Å; F789-W829 AromaticContact CG-CE3 3.86Å; F789-W829 HydrophobicContact CG-CE3 3.86Å
790	P	80.4	Confident	78	Confident	19 Å²	19	41 Å²	41	12%	0.123	21%	0.207	C	C	.	.	H	α-helix	trans	-58.4	-33.8	179.2	-25.2	35.3	0	0	0	112.9	K786 G794 P830 W832	K786-P790 WeakPolarHBondContact O-CD 3.32Å; P790-G794 PolarHBondContact O-N 3.26Å; P790-P830 WeakPolarHBondContact CG-O 3.35Å; P790-W832 PolarHBondContact O-NE1 2.83Å
791	V	80.8	Confident	78.6	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-77.2	-46.3	-179.3	-175.7	0	0	0	0	110.6	F755 A763 I766 M777 V788 F789 A793 G794 I795	F755-V791 HydrophobicContact CD1-CG2 3.7Å; F755-V791 HydrophobicContact CE1-CG2 4.07Å; A763-V791 HydrophobicContact CB-CG1 4.11Å; A763-V791 WeakPolarHBondContact CB-O 3.4Å; I766-V791 HydrophobicContact CD1-CG1 3.88Å; M777-V791 HydrophobicContact CE-CG1 3.89Å; M777-V791 HydrophobicContact SD-CG1 4.49Å; V788-V791 WeakPolarHBondContact O-CB 3.39Å; V788-V791 PolarHBondContact O-N 3.32Å; V788-V791 VanDerWaalsContact O-N 3.1Å; F789-V791 PolarHBondContact O-N 2.84Å; V791-A793 PolarHBondContact O-N 2.89Å; V791-G794 WeakPolarHBondContact O-CA 3.28Å; V791-G794 PolarHBondContact O-N 3.26Å; V791-G794 VanDerWaalsContact O-N 3.13Å; V791-I795 HydrophobicContact CG1-CD1 4.12Å; V791-I795 WeakPolarHBondContact O-CG1 3.49Å; V791-I795 PolarHBondContact O-N 2.89Å
792	L	81.3	Confident	78.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-39.7	176.5	-75	173.1	0	0	0	112.6	I774 M777 V788 F789 G794 I795 A796 L817 I820 V821	I774-L792 HydrophobicContact CG2-CD2 4.5Å; M777-L792 HydrophobicContact CB-CD1 4.3Å; M777-L792 HydrophobicContact CB-CD2 4.12Å; M777-L792 HydrophobicContact CB-CG 4.43Å; M777-L792 HydrophobicContact SD-CD2 3.71Å; M777-L792 HydrophobicContact SD-CG 4.04Å; V788-L792 HydrophobicContact CG1-CD1 3.8Å; V788-L792 HydrophobicContact CG1-CG 3.86Å; V788-L792 PolarHBondContact O-N 2.99Å; F789-L792 PolarHBondContact O-N 3.37Å; L792-G794 VanDerWaalsContact C-N 3.26Å; L792-G794 PolarHBondContact O-N 3.32Å; L792-I795 PolarHBondContact O-N 2.83Å; L792-A796 WeakPolarHBondContact O-CB 3.19Å; L792-A796 PolarHBondContact O-N 3.3Å; L792-L817 HydrophobicContact CD1-CD2 4.23Å; L792-L817 HydrophobicContact CD2-CD2 3.92Å; L792-I820 HydrophobicContact CD1-CB 4.16Å; L792-I820 HydrophobicContact CD1-CD1 4.15Å; L792-I820 HydrophobicContact CD1-CG2 3.88Å; L792-V821 HydrophobicContact CB-CG2 3.77Å
793	A	80.2	Confident	78.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-36.7	173.1	0	0	0	0	0	111.4	F789 V791 Q797 V821 W832 M833	F789-A793 HydrophobicContact CE2-CB 4.23Å; F789-A793 HydrophobicContact CZ-CB 4.47Å; F789-A793 WeakPolarHBondContact O-CB 3.22Å; F789-A793 PolarHBondContact O-N 3.39Å; V791-A793 PolarHBondContact O-N 2.89Å; A793-Q797 PolarHBondContact O-N 3.44Å; A793-V821 HydrophobicContact CB-CG1 4.47Å; A793-W832 HydrophobicContact CB-CZ2 4.37Å; A793-M833 HydrophobicContact CB-CE 3.75Å; A793-M833 HydrophobicContact CB-SD 4.01Å
794	G	76.5	Confident	78.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63	-50.7	171.7	0	0	0	0	0	112.3	P790 V791 L792 A796 Q797 L798	P790-G794 PolarHBondContact O-N 3.26Å; V791-G794 WeakPolarHBondContact O-CA 3.28Å; V791-G794 PolarHBondContact O-N 3.26Å; V791-G794 VanDerWaalsContact O-N 3.13Å; L792-G794 VanDerWaalsContact C-N 3.26Å; L792-G794 PolarHBondContact O-N 3.32Å; G794-A796 VanDerWaalsContact C-N 3.34Å; G794-A796 PolarHBondContact O-N 3.4Å; G794-Q797 PolarHBondContact O-N 2.73Å; G794-L798 VanDerWaalsContact O-CG 3.31Å; G794-L798 WeakPolarHBondContact O-CG 3.23Å; G794-L798 PolarHBondContact O-N 3.47Å
795	I	81.3	Confident	78	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.3	-42.5	178.3	-64.9	163.8	0	0	0	111.1	A763 I766 I774 M777 V791 L792 Q797 L798 R799 F807	A763-I795 HydrophobicContact CB-CG1 4.16Å; I766-I795 HydrophobicContact CG2-CD1 4.24Å; I774-I795 HydrophobicContact CD1-CD1 4.13Å; I774-I795 HydrophobicContact CD1-CG2 4.39Å; I774-I795 HydrophobicContact CG1-CD1 4.05Å; M777-I795 HydrophobicContact SD-CD1 4.39Å; V791-I795 HydrophobicContact CG1-CD1 4.12Å; V791-I795 WeakPolarHBondContact O-CG1 3.49Å; V791-I795 PolarHBondContact O-N 2.89Å; L792-I795 PolarHBondContact O-N 2.83Å; I795-Q797 VanDerWaalsContact C-N 3.31Å; I795-Q797 PolarHBondContact O-N 2.72Å; I795-L798 PolarHBondContact O-N 3Å; I795-R799 HydrophobicContact CG2-CG 4.17Å; I795-R799 WeakPolarHBondContact O-CB 3.4Å; I795-R799 WeakPolarHBondContact O-CG 3.42Å; I795-R799 PolarHBondContact O-N 3.3Å; I795-F807 HydrophobicContact CG2-CD1 3.79Å; I795-F807 HydrophobicContact CG2-CE1 4.13Å
796	A	79.6	Confident	78	Confident	2 Å²	2	39 Å²	39	2%	0.017	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-40	177.6	0	0	0	0	0	112.4	L792 G794 K800 F807	L792-A796 WeakPolarHBondContact O-CB 3.19Å; L792-A796 PolarHBondContact O-N 3.3Å; G794-A796 VanDerWaalsContact C-N 3.34Å; G794-A796 PolarHBondContact O-N 3.4Å; A796-K800 WeakPolarHBondContact O-CB 3.25Å; A796-K800 PolarHBondContact O-N 3.28Å; A796-K800 VanDerWaalsContact O-N 3.08Å; A796-F807 HydrophobicContact CB-CE1 3.85Å; A796-F807 HydrophobicContact CB-CZ 3.69Å
797	Q	80.2	Confident	78	Confident	65 Å²	65	36.3 Å²	36.3	30%	0.304	20%	0.2	S	C	.	.	H	α-helix	trans	-71.9	-42	176.8	-167.9	75.6	-23	0	0	111.6	W760 A793 G794 I795 K800 V801 W832	W760-Q797 HydrophobicContact CH2-CG 4.44Å; W760-Q797 HydrophobicContact CZ3-CB 4.18Å; W760-Q797 HydrophobicContact CZ3-CG 4.37Å; A793-Q797 PolarHBondContact O-N 3.44Å; G794-Q797 PolarHBondContact O-N 2.73Å; I795-Q797 VanDerWaalsContact C-N 3.31Å; I795-Q797 PolarHBondContact O-N 2.72Å; Q797-K800 PolarHBondContact O-N 3.23Å; Q797-V801 WeakPolarHBondContact O-CG2 3.28Å; Q797-V801 PolarHBondContact O-N 3.36Å; Q797-W832 HydrophobicContact CB-CH2 4.48Å
798	L	78.3	Confident	78	Confident	23 Å²	23	34.8 Å²	34.8	12%	0.12	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-42	176.2	-69	168.4	0	0	0	112.2	W760 A763 N764 N767 G794 I795 V801 S802	W760-L798 HydrophobicContact CH2-CD2 3.8Å; W760-L798 HydrophobicContact CH2-CG 4Å; W760-L798 HydrophobicContact CZ2-CD2 4.04Å; W760-L798 HydrophobicContact CZ3-CG 4.35Å; A763-L798 HydrophobicContact CB-CD1 4.44Å; N764-L798 WeakPolarHBondContact OD1-CD1 3.49Å; N764-L798 WeakPolarHBondContact OD1-CD2 3.42Å; N767-L798 HydrophobicContact CB-CD1 4.41Å; G794-L798 VanDerWaalsContact O-CG 3.31Å; G794-L798 WeakPolarHBondContact O-CG 3.23Å; G794-L798 PolarHBondContact O-N 3.47Å; I795-L798 PolarHBondContact O-N 3Å; L798-V801 PolarHBondContact O-N 3.13Å; L798-S802 VanDerWaalsContact O-CB 3.31Å; L798-S802 WeakPolarHBondContact O-CB 3.16Å; L798-S802 PolarHBondContact O-N 3.01Å; L798-S802 PolarHBondContact O-OG 2.93Å
799	R	80.4	Confident	77.6	Confident	11 Å²	11	40.6 Å²	40.6	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-40.3	174.6	-77.1	-72.2	-162.9	-104.7	-19.7	112.2	N767 I795 S802 N803 Q804 S806 F807 W853	N767-R799 VanDerWaalsContact OD1-CZ 3.27Å; N767-R799 PolarHBondContact OD1-NH1 2.97Å; N767-R799 PolarHBondContact OD1-NH2 3.2Å; I795-R799 HydrophobicContact CG2-CG 4.17Å; I795-R799 WeakPolarHBondContact O-CB 3.4Å; I795-R799 WeakPolarHBondContact O-CG 3.42Å; I795-R799 PolarHBondContact O-N 3.3Å; R799-S802 CarbonylContact O-C 3.57Å; R799-S802 PolarHBondContact O-N 2.98Å; R799-N803 PolarHBondContact O-N 2.87Å; R799-Q804 VanDerWaalsContact CD-OE1 3.31Å; R799-Q804 PolarHBondContact O-N 2.87Å; R799-S806 WeakPolarHBondContact CD-O 3.49Å; R799-S806 PolarHBondContact NE-O 3.3Å; R799-F807 PolarHBondContact NH2-O 3.29Å; R799-W853 HydrophobicContact CB-CH2 4.08Å; R799-W853 HydrophobicContact CB-CZ2 3.85Å
800	K	78.2	Confident	77.3	Confident	66 Å²	66	43.9 Å²	43.9	29%	0.287	25%	0.245	S	C	.	.	H	α-helix	trans	-60.8	-45.9	171.8	177	179.3	171.2	-175.9	0	112.1	A796 Q797 S802 N803 A848 L849 F852	A796-K800 WeakPolarHBondContact O-CB 3.25Å; A796-K800 PolarHBondContact O-N 3.28Å; A796-K800 VanDerWaalsContact O-N 3.08Å; Q797-K800 PolarHBondContact O-N 3.23Å; K800-S802 VanDerWaalsContact C-N 3.3Å; K800-S802 PolarHBondContact O-N 3.19Å; K800-N803 PolarHBondContact O-N 3.29Å; K800-A848 PolarHBondContact NZ-O 3.43Å; K800-L849 HydrophobicContact CD-CD2 4.3Å; K800-F852 HydrophobicContact CB-CD1 4.05Å; K800-F852 HydrophobicContact CB-CE1 4.42Å; K800-F852 HydrophobicContact CB-CG 4.43Å; K800-F852 HydrophobicContact CG-CB 4.23Å; K800-F852 HydrophobicContact CG-CD1 4.3Å; K800-F852 HydrophobicContact CG-CG 4.18Å
801	V	76.9	Confident	76.9	Confident	119 Å²	119	49.1 Å²	49.1	72%	0.721	27%	0.271	S	S	*	.	H	α-helix	trans	-64.1	-36.4	174.8	172.9	0	0	0	0	111.6	Q797 L798 N803	Q797-V801 WeakPolarHBondContact O-CG2 3.28Å; Q797-V801 PolarHBondContact O-N 3.36Å; L798-V801 PolarHBondContact O-N 3.13Å; V801-N803 VanDerWaalsContact C-N 3.28Å; V801-N803 PolarHBondContact O-N 3.3Å
802	S	73.3	Confident	76.6	Confident	65 Å²	65	55.4 Å²	55.4	46%	0.455	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	0.9	179.2	-51.4	0	0	0	0	114.2	L798 R799 K800 Q804	L798-S802 VanDerWaalsContact O-CB 3.31Å; L798-S802 WeakPolarHBondContact O-CB 3.16Å; L798-S802 PolarHBondContact O-N 3.01Å; L798-S802 PolarHBondContact O-OG 2.93Å; R799-S802 CarbonylContact O-C 3.57Å; R799-S802 PolarHBondContact O-N 2.98Å; K800-S802 VanDerWaalsContact C-N 3.3Å; K800-S802 PolarHBondContact O-N 3.19Å; S802-Q804 VanDerWaalsContact C-N 3.28Å; S802-Q804 PolarHBondContact O-N 2.91Å
803	N	74.8	Confident	76.5	Confident	124 Å²	124	57.8 Å²	57.8	66%	0.663	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	39.8	-176.4	-162	66.1	0	0	0	114.1	R799 K800 V801	R799-N803 PolarHBondContact O-N 2.87Å; K800-N803 PolarHBondContact O-N 3.29Å; V801-N803 VanDerWaalsContact C-N 3.28Å; V801-N803 PolarHBondContact O-N 3.3Å
804	Q	75.2	Confident	76.5	Confident	78 Å²	78	57.8 Å²	57.8	36%	0.364	31%	0.313	S	S	.	.			trans	-109	108.4	176	-74.8	176.7	-11.4	0	0	110.8	R799 S802 S806 F852	R799-Q804 VanDerWaalsContact CD-OE1 3.31Å; R799-Q804 PolarHBondContact O-N 2.87Å; S802-Q804 VanDerWaalsContact C-N 3.28Å; S802-Q804 PolarHBondContact O-N 2.91Å; Q804-S806 PolarHBondContact O-N 3.43Å; Q804-F852 VanDerWaalsContact C-CZ 3.43Å; Q804-F852 WeakPolarHBondContact O-CE1 3.35Å; Q804-F852 WeakPolarHBondContact O-CZ 3.27Å
805	P	67.8	Low	76.6	Confident	84 Å²	84	59.8 Å²	59.8	55%	0.545	32%	0.323	S	S	.	.			trans	-81.6	26.3	-169.9	35.2	-37.9	0	0	0	114	F852 L856	P805-F852 HydrophobicContact CB-CE1 4.37Å; P805-F852 HydrophobicContact CB-CZ 4.08Å; P805-L856 VanDerWaalsContact O-CD1 3.31Å; P805-L856 WeakPolarHBondContact O-CD1 3.36Å
806	S	77.8	Confident	76.5	Confident	17 Å²	17	64.7 Å²	64.7	12%	0.119	34%	0.344	C	S	.	.			trans	-146.2	149.3	-173.2	54.7	0	0	0	0	111	R799 Q804 N809 D814	R799-S806 WeakPolarHBondContact CD-O 3.49Å; R799-S806 PolarHBondContact NE-O 3.3Å; Q804-S806 PolarHBondContact O-N 3.43Å; S806-N809 PolarHBondContact OG-OD1 3.11Å; S806-D814 WeakPolarHBondContact CA-OD2 3.16Å; S806-D814 WeakPolarHBondContact CB-OD2 3.13Å
807	F	75.9	Confident	76.6	Confident	5 Å²	5	64.6 Å²	64.6	2%	0.022	34%	0.343	C	S	.	.	S	Bend	trans	-89.3	-50.3	170.9	-67.6	-98.4	0	0	0	110	I774 I795 A796 R799 D814 L817 F818 W853	I774-F807 HydrophobicContact CG2-CB 4.32Å; I795-F807 HydrophobicContact CG2-CD1 3.79Å; I795-F807 HydrophobicContact CG2-CE1 4.13Å; A796-F807 HydrophobicContact CB-CE1 3.85Å; A796-F807 HydrophobicContact CB-CZ 3.69Å; R799-F807 PolarHBondContact NH2-O 3.29Å; F807-D814 WeakPolarHBondContact CB-OD1 3.41Å; F807-D814 HydrophobicContact CD2-CB 4.25Å; F807-D814 VanDerWaalsContact N-CG 3.27Å; F807-D814 PolarHBondContact N-OD1 3.36Å; F807-D814 PolarHBondContact N-OD2 3.48Å; F807-L817 HydrophobicContact CB-CD1 3.85Å; F807-L817 HydrophobicContact CD2-CB 4.43Å; F807-L817 HydrophobicContact CG-CB 4.35Å; F807-L817 HydrophobicContact CG-CD1 4.38Å; F807-F818 HydrophobicContact CE2-CB 4.03Å; F807-F818 HydrophobicContact CE2-CD2 4.19Å; F807-F818 HydrophobicContact CZ-CD2 4.3Å; F807-W853 AromaticContact CD2-CH2 3.98Å; F807-W853 HydrophobicContact CD2-CH2 3.98Å; F807-W853 HydrophobicContact CD2-CZ3 4.01Å; F807-W853 HydrophobicContact CE2-CE3 4.17Å; F807-W853 AromaticContact CE2-CH2 3.56Å; F807-W853 HydrophobicContact CE2-CH2 3.56Å; F807-W853 HydrophobicContact CE2-CZ2 4.12Å; F807-W853 AromaticContact CE2-CZ3 3.59Å; F807-W853 HydrophobicContact CE2-CZ3 3.59Å; F807-W853 AromaticContact CZ-CH2 3.99Å; F807-W853 HydrophobicContact CZ-CH2 3.99Å; F807-W853 HydrophobicContact CZ-CZ2 4.11Å; F807-W853 HydrophobicContact CZ-CZ3 4.38Å
808	C	76.3	Confident	76.7	Confident	37 Å²	37	61.6 Å²	61.6	25%	0.25	33%	0.329	C	S	.	.	S	Bend	trans	-124.2	-7.5	-174	-65.6	0	0	0	0	114	D810 D814	C808-D810 VanDerWaalsContact C-N 3.34Å; C808-D814 WeakPolarHBondContact CB-OD1 3.48Å; C808-D814 PolarHBondContact N-OD1 3.11Å; C808-D814 PolarHBondContact N-OD2 3.4Å
809	N	72	Confident	76.8	Confident	134 Å²	134	60.5 Å²	60.5	72%	0.717	32%	0.323	S	S	*	.	S	Bend	trans	67.9	28.9	-171.5	-44.8	-64.6	0	0	0	114.1	S806 D814	S806-N809 PolarHBondContact OG-OD1 3.11Å; N809-D814 PolarHBondContact N-OD2 3.4Å
810	D	76.6	Confident	76.9	Confident	72 Å²	72	60.2 Å²	60.2	39%	0.385	32%	0.323	S	S	.	.			trans	-126.5	109.8	171	176.8	-25.5	0	0	0	106.3	C808 E812 L813 D814	C808-D810 VanDerWaalsContact C-N 3.34Å; D810-E812 PolarHBondContact O-N 3.23Å; D810-E812 PolarHBondContact OD1-N 3.3Å; D810-L813 HydrophobicContact CB-CB 4.1Å; D810-L813 HydrophobicContact CB-CD1 4.11Å; D810-L813 HydrophobicContact CB-CG 4.25Å; D810-L813 PolarHBondContact O-N 3.5Å; D810-L813 VanDerWaalsContact O-N 3.1Å; D810-L813 PolarHBondContact OD1-N 2.93Å; D810-L813 WeakPolarHBondContact OD2-CD1 3.44Å; D810-D814 VanDerWaalsContact O-CB 3.29Å; D810-D814 WeakPolarHBondContact O-CB 3.49Å; D810-D814 PolarHBondContact O-N 3.4Å
811	D	72.5	Confident	77	Confident	128 Å²	128	57.1 Å²	57.1	68%	0.684	31%	0.309	S	S	*	.	H	α-helix	trans	-59.9	-32.9	-172.1	-62.2	-32.7	0	0	0	112.1	E815	D811-E815 VanDerWaalsContact O-CB 3.27Å; D811-E815 WeakPolarHBondContact O-CB 2.93Å; D811-E815 PolarHBondContact O-N 3.36Å
812	E	74.3	Confident	77.2	Confident	134 Å²	134	51.5 Å²	51.5	63%	0.626	28%	0.275	S	S	*	.	H	α-helix	trans	-76.1	-26.1	178.9	-68.3	-167.3	-164.4	0	0	113.5	D810 K816	D810-E812 PolarHBondContact O-N 3.23Å; D810-E812 PolarHBondContact OD1-N 3.3Å; E812-K816 VanDerWaalsContact O-CD 3.28Å; E812-K816 WeakPolarHBondContact O-CD 3.1Å; E812-K816 WeakPolarHBondContact O-CE 3.37Å; E812-K816 WeakPolarHBondContact O-CG 3.29Å; E812-K816 PolarHBondContact O-NZ 3.19Å; E812-K816 IonicContact OE2-NZ 3.3Å
813	L	78.6	Confident	77.7	Confident	50 Å²	50	48.9 Å²	48.9	26%	0.262	26%	0.256	S	S	.	.	H	α-helix	trans	-87.1	-39.8	174.9	-68.5	178.4	0	0	0	110.8	D810 E815 K816 L817	D810-L813 HydrophobicContact CB-CB 4.1Å; D810-L813 HydrophobicContact CB-CD1 4.11Å; D810-L813 HydrophobicContact CB-CG 4.25Å; D810-L813 PolarHBondContact O-N 3.5Å; D810-L813 VanDerWaalsContact O-N 3.1Å; D810-L813 PolarHBondContact OD1-N 2.93Å; D810-L813 WeakPolarHBondContact OD2-CD1 3.44Å; L813-E815 VanDerWaalsContact C-N 3.31Å; L813-E815 PolarHBondContact O-N 3.42Å; L813-K816 PolarHBondContact O-N 3.39Å; L813-K816 VanDerWaalsContact O-N 3.12Å; L813-L817 WeakPolarHBondContact O-CB 3.21Å; L813-L817 VanDerWaalsContact O-CG 3.25Å; L813-L817 WeakPolarHBondContact O-CG 3.28Å; L813-L817 PolarHBondContact O-N 3.01Å
814	D	79.8	Confident	77.9	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66	-35.1	179.2	-70.7	-0.5	0	0	0	111	S806 F807 C808 N809 D810 F818 L856	S806-D814 WeakPolarHBondContact CA-OD2 3.16Å; S806-D814 WeakPolarHBondContact CB-OD2 3.13Å; F807-D814 WeakPolarHBondContact CB-OD1 3.41Å; F807-D814 HydrophobicContact CD2-CB 4.25Å; F807-D814 VanDerWaalsContact N-CG 3.27Å; F807-D814 PolarHBondContact N-OD1 3.36Å; F807-D814 PolarHBondContact N-OD2 3.48Å; C808-D814 WeakPolarHBondContact CB-OD1 3.48Å; C808-D814 PolarHBondContact N-OD1 3.11Å; C808-D814 PolarHBondContact N-OD2 3.4Å; N809-D814 PolarHBondContact N-OD2 3.4Å; D810-D814 VanDerWaalsContact O-CB 3.29Å; D810-D814 WeakPolarHBondContact O-CB 3.49Å; D810-D814 PolarHBondContact O-N 3.4Å; D814-F818 VanDerWaalsContact O-CB 3.25Å; D814-F818 WeakPolarHBondContact O-CB 3.49Å; D814-F818 PolarHBondContact O-N 2.98Å; D814-L856 HydrophobicContact CB-CD2 4.07Å
815	E	78.4	Confident	78.1	Confident	42 Å²	42	39.9 Å²	39.9	20%	0.196	21%	0.21	C	C	.	.	H	α-helix	trans	-59.4	-48.9	168.1	-174.4	-158.9	142	0	0	111.8	D811 L813 F818 G819 S859 T860	D811-E815 VanDerWaalsContact O-CB 3.27Å; D811-E815 WeakPolarHBondContact O-CB 2.93Å; D811-E815 PolarHBondContact O-N 3.36Å; L813-E815 VanDerWaalsContact C-N 3.31Å; L813-E815 PolarHBondContact O-N 3.42Å; E815-F818 PolarHBondContact O-N 2.83Å; E815-G819 PolarHBondContact O-N 3Å; E815-S859 WeakPolarHBondContact CG-OG 3.3Å; E815-T860 VanDerWaalsContact CD-CG2 3.41Å; E815-T860 WeakPolarHBondContact OE1-CB 2.96Å; E815-T860 WeakPolarHBondContact OE1-CG2 3.41Å; E815-T860 PolarHBondContact OE1-OG1 2.91Å; E815-T860 VanDerWaalsContact OE2-CG2 3.25Å; E815-T860 WeakPolarHBondContact OE2-CG2 3.18Å
816	K	79.5	Confident	78.6	Confident	102 Å²	102	36.9 Å²	36.9	44%	0.443	19%	0.191	S	C	.	.	H	α-helix	trans	-64.9	-42.5	-179.9	-69.4	167.5	-167.9	122.1	0	111.4	E812 L813 G819 I820	E812-K816 VanDerWaalsContact O-CD 3.28Å; E812-K816 WeakPolarHBondContact O-CD 3.1Å; E812-K816 WeakPolarHBondContact O-CE 3.37Å; E812-K816 WeakPolarHBondContact O-CG 3.29Å; E812-K816 PolarHBondContact O-NZ 3.19Å; E812-K816 IonicContact OE2-NZ 3.3Å; L813-K816 PolarHBondContact O-N 3.39Å; L813-K816 VanDerWaalsContact O-N 3.12Å; K816-G819 PolarHBondContact O-N 3.13Å; K816-I820 WeakPolarHBondContact O-CG1 3.43Å; K816-I820 PolarHBondContact O-N 2.91Å; K816-I820 VanDerWaalsContact O-N 3.08Å
817	L	81.2	Confident	78.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.4	-44.2	177.6	-68.7	169.7	0	0	0	111.5	I774 M777 A778 L792 F807 L813 G819 I820 V821	I774-L817 HydrophobicContact CG2-CD1 4.08Å; M777-L817 HydrophobicContact CB-CD2 4.06Å; A778-L817 HydrophobicContact CB-CD2 4.03Å; A778-L817 HydrophobicContact CB-CG 4.47Å; L792-L817 HydrophobicContact CD1-CD2 4.23Å; L792-L817 HydrophobicContact CD2-CD2 3.92Å; F807-L817 HydrophobicContact CB-CD1 3.85Å; F807-L817 HydrophobicContact CD2-CB 4.43Å; F807-L817 HydrophobicContact CG-CB 4.35Å; F807-L817 HydrophobicContact CG-CD1 4.38Å; L813-L817 WeakPolarHBondContact O-CB 3.21Å; L813-L817 VanDerWaalsContact O-CG 3.25Å; L813-L817 WeakPolarHBondContact O-CG 3.28Å; L813-L817 PolarHBondContact O-N 3.01Å; L817-G819 VanDerWaalsContact C-N 3.33Å; L817-I820 PolarHBondContact O-N 2.86Å; L817-V821 PolarHBondContact O-N 3.48Å
818	F	82.9	Confident	78.4	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.009	24%	0.236	C	C	.	.	H	α-helix	trans	-65.9	-36.8	173.5	-171.5	-97.6	0	0	0	111.8	F807 D814 E815 I820 V821 F822 W853 A857	F807-F818 HydrophobicContact CE2-CB 4.03Å; F807-F818 HydrophobicContact CE2-CD2 4.19Å; F807-F818 HydrophobicContact CZ-CD2 4.3Å; D814-F818 VanDerWaalsContact O-CB 3.25Å; D814-F818 WeakPolarHBondContact O-CB 3.49Å; D814-F818 PolarHBondContact O-N 2.98Å; E815-F818 PolarHBondContact O-N 2.83Å; F818-I820 VanDerWaalsContact C-N 3.28Å; F818-I820 PolarHBondContact O-N 3.32Å; F818-V821 WeakPolarHBondContact O-CB 3.5Å; F818-V821 PolarHBondContact O-N 3.4Å; F818-F822 HydrophobicContact CE1-CB 4.38Å; F818-F822 HydrophobicContact CE1-CD2 4.01Å; F818-F822 WeakPolarHBondContact O-CB 3.27Å; F818-F822 PolarHBondContact O-N 3.43Å; F818-W853 HydrophobicContact CD2-CB 4.07Å; F818-W853 AromaticContact CD2-CD2 3.98Å; F818-W853 HydrophobicContact CD2-CD2 3.98Å; F818-W853 HydrophobicContact CD2-CE3 4.21Å; F818-W853 AromaticContact CD2-CG 3.94Å; F818-W853 HydrophobicContact CD2-CG 3.94Å; F818-W853 HydrophobicContact CE1-CB 4.32Å; F818-W853 HydrophobicContact CE2-CB 3.4Å; F818-W853 AromaticContact CE2-CD1 3.74Å; F818-W853 AromaticContact CE2-CD2 3.94Å; F818-W853 HydrophobicContact CE2-CD2 3.94Å; F818-W853 AromaticContact CE2-CG 3.41Å; F818-W853 HydrophobicContact CE2-CG 3.41Å; F818-W853 VanDerWaalsContact CE2-CG 3.41Å; F818-W853 HydrophobicContact CZ-CB 3.55Å; F818-W853 HydrophobicContact CZ-CG 4.08Å; F818-A857 HydrophobicContact CD1-CB 4.25Å; F818-A857 HydrophobicContact CE1-CB 3.68Å
819	G	80.2	Confident	78.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-35.7	174	0	0	0	0	0	113.3	E815 K816 L817 F822 E823	E815-G819 PolarHBondContact O-N 3Å; K816-G819 PolarHBondContact O-N 3.13Å; L817-G819 VanDerWaalsContact C-N 3.33Å; G819-F822 PolarHBondContact O-N 3.27Å; G819-E823 VanDerWaalsContact O-CB 3.27Å; G819-E823 WeakPolarHBondContact O-CB 3.32Å; G819-E823 PolarHBondContact O-N 3.02Å
820	I	81.9	Confident	78.6	Confident	6 Å²	6	41.6 Å²	41.6	3%	0.031	23%	0.227	C	C	.	.	H	α-helix	trans	-65.5	-41.8	172.7	-63.4	167.4	0	0	0	111	R785 L792 K816 L817 F818 G824 W829	R785-I820 HydrophobicContact CB-CG2 4.07Å; R785-I820 HydrophobicContact CG-CD1 4.11Å; R785-I820 HydrophobicContact CG-CG1 4.1Å; R785-I820 HydrophobicContact CG-CG2 4.32Å; L792-I820 HydrophobicContact CD1-CB 4.16Å; L792-I820 HydrophobicContact CD1-CD1 4.15Å; L792-I820 HydrophobicContact CD1-CG2 3.88Å; K816-I820 WeakPolarHBondContact O-CG1 3.43Å; K816-I820 PolarHBondContact O-N 2.91Å; K816-I820 VanDerWaalsContact O-N 3.08Å; L817-I820 PolarHBondContact O-N 2.86Å; F818-I820 VanDerWaalsContact C-N 3.28Å; F818-I820 PolarHBondContact O-N 3.32Å; I820-G824 PolarHBondContact O-N 2.86Å; I820-W829 HydrophobicContact CG2-CZ3 4.26Å
821	V	81.1	Confident	78.5	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-66.5	-42.8	176.5	179.2	0	0	0	0	110.8	L792 A793 L817 F818 G824 I825	L792-V821 HydrophobicContact CB-CG2 3.77Å; A793-V821 HydrophobicContact CB-CG1 4.47Å; L817-V821 PolarHBondContact O-N 3.48Å; F818-V821 WeakPolarHBondContact O-CB 3.5Å; F818-V821 PolarHBondContact O-N 3.4Å; V821-G824 PolarHBondContact O-N 2.78Å; V821-I825 HydrophobicContact CG1-CD1 3.95Å; V821-I825 WeakPolarHBondContact O-CG1 3.47Å; V821-I825 PolarHBondContact O-N 2.96Å
822	F	81.9	Confident	78.5	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-48.6	177	-165.2	-86.8	0	0	0	111.6	F818 G819 G824 I825 C826 L846 F850 C863 I866 A867 T876 L880	F818-F822 HydrophobicContact CE1-CB 4.38Å; F818-F822 HydrophobicContact CE1-CD2 4.01Å; F818-F822 WeakPolarHBondContact O-CB 3.27Å; F818-F822 PolarHBondContact O-N 3.43Å; G819-F822 PolarHBondContact O-N 3.27Å; F822-G824 PolarHBondContact O-N 3.37Å; F822-I825 PolarHBondContact O-N 3Å; F822-C826 PolarHBondContact O-N 2.76Å; F822-C826 PolarHBondContact O-SG 2.86Å; F822-L846 HydrophobicContact CD2-CD1 4.47Å; F822-L846 HydrophobicContact CD2-CD2 3.64Å; F822-L846 HydrophobicContact CE1-CD1 4.49Å; F822-L846 HydrophobicContact CE2-CD1 3.92Å; F822-L846 HydrophobicContact CE2-CD2 3.78Å; F822-L846 HydrophobicContact CE2-CG 4.29Å; F822-L846 HydrophobicContact CG-CD2 4.3Å; F822-L846 HydrophobicContact CZ-CD1 3.94Å; F822-F850 HydrophobicContact CD2-CE1 4.48Å; F822-F850 AromaticContact CE2-CE1 3.86Å; F822-F850 HydrophobicContact CE2-CE1 3.86Å; F822-F850 AromaticContact CE2-CZ 3.87Å; F822-F850 HydrophobicContact CE2-CZ 3.87Å; F822-C863 HydrophobicContact CD1-CB 4.05Å; F822-C863 HydrophobicContact CD2-CB 4.38Å; F822-C863 HydrophobicContact CE1-CB 4.01Å; F822-C863 WeakPolarHBondContact CE1-O 3.26Å; F822-C863 HydrophobicContact CE2-CB 4.35Å; F822-C863 HydrophobicContact CG-CB 4.24Å; F822-C863 HydrophobicContact CZ-CB 4.16Å; F822-I866 HydrophobicContact CD1-CB 4.25Å; F822-I866 HydrophobicContact CD1-CG2 3.99Å; F822-I866 HydrophobicContact CE1-CB 4.12Å; F822-I866 HydrophobicContact CE1-CG2 3.97Å; F822-A867 HydrophobicContact CE1-CB 4.2Å; F822-A867 HydrophobicContact CZ-CB 4.05Å; F822-T876 HydrophobicContact CE2-CG2 4.15Å; F822-T876 HydrophobicContact CZ-CG2 3.87Å; F822-L880 HydrophobicContact CZ-CD1 4.25Å
823	E	82.6	Confident	78.4	Confident	11 Å²	11	33.4 Å²	33.4	5%	0.051	18%	0.184	C	C	.	.	H	α-helix	trans	-61.4	-43	176.6	-173	176.2	165	0	0	111.9	R785 G819 C826 K827 W829 I866	R785-E823 IonicContact CZ-OE1 2.87Å; R785-E823 IonicContact CZ-OE2 3.71Å; R785-E823 IonicContact NH1-OE1 3.67Å; R785-E823 IonicContact NH1-OE2 3.63Å; R785-E823 PolarHBondContact NH1-OE2 2.81Å; R785-E823 VanDerWaalsContact NH2-CD 3.33Å; R785-E823 IonicContact NH2-OE1 2.66Å; R785-E823 PolarHBondContact NH2-OE1 3.46Å; R785-E823 IonicContact NH2-OE2 3.72Å; R785-E823 PolarHBondContact NH2-OE2 3.41Å; R785-E823 VanDerWaalsContact NH2-OE2 3.13Å; G819-E823 VanDerWaalsContact O-CB 3.27Å; G819-E823 WeakPolarHBondContact O-CB 3.32Å; G819-E823 PolarHBondContact O-N 3.02Å; E823-C826 PolarHBondContact O-N 3.05Å; E823-K827 HydrophobicContact CG-CD 3.88Å; E823-K827 HydrophobicContact CG-CG 4.36Å; E823-K827 VanDerWaalsContact O-CB 3.3Å; E823-K827 WeakPolarHBondContact O-CB 3.48Å; E823-K827 WeakPolarHBondContact O-CG 3.38Å; E823-K827 PolarHBondContact O-N 3.44Å; E823-K827 WeakPolarHBondContact OE1-CE 3.29Å; E823-K827 IonicContact OE1-NZ 2.64Å; E823-K827 PolarHBondContact OE1-NZ 2.7Å; E823-W829 HydrophobicContact CG-CH2 4.18Å; E823-W829 HydrophobicContact CG-CZ2 4.22Å; E823-I866 HydrophobicContact CB-CD1 4.07Å; E823-I866 HydrophobicContact CG-CD1 4.32Å
824	G	78.7	Confident	77.7	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.1	-34.4	179.8	0	0	0	0	0	114.1	I820 V821 F822 G828 W829	I820-G824 PolarHBondContact O-N 2.86Å; V821-G824 PolarHBondContact O-N 2.78Å; F822-G824 PolarHBondContact O-N 3.37Å; G824-G828 PolarHBondContact O-N 3.47Å; G824-W829 VanDerWaalsContact CA-CE3 3.41Å; G824-W829 PolarHBondContact O-N 3.32Å
825	I	80.5	Confident	76.8	Confident	13 Å²	13	40.8 Å²	40.8	7%	0.067	24%	0.237	C	C	.	.	H	α-helix	trans	-69.7	-46.6	171.9	-65.9	165.4	0	0	0	110.2	F789 V821 F822 K827 G828 A842 Q845 L846 L849	F789-I825 HydrophobicContact CE2-CG1 4.21Å; F789-I825 HydrophobicContact CZ-CG1 4.17Å; V821-I825 HydrophobicContact CG1-CD1 3.95Å; V821-I825 WeakPolarHBondContact O-CG1 3.47Å; V821-I825 PolarHBondContact O-N 2.96Å; F822-I825 PolarHBondContact O-N 3Å; I825-K827 VanDerWaalsContact C-N 3.3Å; I825-K827 PolarHBondContact O-N 3.46Å; I825-G828 PolarHBondContact O-N 3.42Å; I825-A842 HydrophobicContact CG2-CB 4.38Å; I825-Q845 HydrophobicContact CG2-CB 4.28Å; I825-L846 HydrophobicContact CB-CD2 4.03Å; I825-L846 HydrophobicContact CD1-CD2 3.93Å; I825-L846 HydrophobicContact CG2-CD1 4.39Å; I825-L846 HydrophobicContact CG2-CD2 3.83Å; I825-L846 HydrophobicContact CG2-CG 3.84Å; I825-L849 HydrophobicContact CD1-CD1 3.69Å
826	C	77.8	Confident	76	Confident	21 Å²	21	41.5 Å²	41.5	14%	0.142	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-31.9	177.4	-74.4	0	0	0	0	113.9	F822 E823 L846 I866	F822-C826 PolarHBondContact O-N 2.76Å; F822-C826 PolarHBondContact O-SG 2.86Å; E823-C826 PolarHBondContact O-N 3.05Å; C826-L846 VanDerWaalsContact SG-CD1 3.57Å; C826-I866 HydrophobicContact CB-CG2 3.81Å
827	K	78.9	Confident	75.1	Confident	100 Å²	100	46.1 Å²	46.1	44%	0.435	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-1.8	179.4	-71.1	-175.4	173.2	177.1	0	114.4	E782 E823 I825 W829	E782-K827 VanDerWaalsContact CD-NZ 3.29Å; E782-K827 IonicContact OE1-NZ 3.59Å; E782-K827 PolarHBondContact OE1-NZ 3.02Å; E782-K827 IonicContact OE2-NZ 2.66Å; E782-K827 PolarHBondContact OE2-NZ 3.36Å; E823-K827 HydrophobicContact CG-CD 3.88Å; E823-K827 HydrophobicContact CG-CG 4.36Å; E823-K827 VanDerWaalsContact O-CB 3.3Å; E823-K827 WeakPolarHBondContact O-CB 3.48Å; E823-K827 WeakPolarHBondContact O-CG 3.38Å; E823-K827 PolarHBondContact O-N 3.44Å; E823-K827 WeakPolarHBondContact OE1-CE 3.29Å; E823-K827 IonicContact OE1-NZ 2.64Å; E823-K827 PolarHBondContact OE1-NZ 2.7Å; I825-K827 VanDerWaalsContact C-N 3.3Å; I825-K827 PolarHBondContact O-N 3.46Å; K827-W829 HydrophobicContact CD-CZ2 3.87Å
828	G	71.7	Confident	74.3	Confident	64 Å²	64	50.8 Å²	50.8	66%	0.66	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	42.3	180	0	0	0	0	0	114.1	G824 I825	G824-G828 PolarHBondContact O-N 3.47Å; I825-G828 PolarHBondContact O-N 3.42Å
829	W	81.8	Confident	73.3	Confident	19 Å²	19	54.2 Å²	54.2	7%	0.072	32%	0.317	C	S	.	.			trans	-66.6	143.8	179	-69.4	-8.5	0	0	0	111.9	E782 R785 K786 F789 I820 E823 G824 K827 S831	E782-W829 HydrophobicContact CG-CH2 4.4Å; E782-W829 HydrophobicContact CG-CZ2 3.83Å; R785-W829 HydrophobicContact CB-CH2 3.74Å; R785-W829 HydrophobicContact CB-CZ3 3.82Å; K786-W829 HydrophobicContact CB-CD2 4.39Å; K786-W829 HydrophobicContact CB-CE3 4.47Å; K786-W829 HydrophobicContact CG-CD2 3.54Å; K786-W829 VanDerWaalsContact CG-CE2 3.5Å; K786-W829 HydrophobicContact CG-CE3 4Å; K786-W829 HydrophobicContact CG-CG 3.91Å; K786-W829 HydrophobicContact CG-CH2 4.36Å; K786-W829 HydrophobicContact CG-CZ2 3.93Å; K786-W829 HydrophobicContact CG-CZ3 4.39Å; F789-W829 HydrophobicContact CB-CE3 3.71Å; F789-W829 HydrophobicContact CB-CZ3 4.27Å; F789-W829 HydrophobicContact CD1-CB 3.66Å; F789-W829 HydrophobicContact CD1-CE3 4.41Å; F789-W829 HydrophobicContact CD2-CE3 4.21Å; F789-W829 HydrophobicContact CE1-CB 3.89Å; F789-W829 WeakPolarHBondContact CE1-O 3.44Å; F789-W829 HydrophobicContact CG-CB 4.27Å; F789-W829 AromaticContact CG-CE3 3.86Å; F789-W829 HydrophobicContact CG-CE3 3.86Å; I820-W829 HydrophobicContact CG2-CZ3 4.26Å; E823-W829 HydrophobicContact CG-CH2 4.18Å; E823-W829 HydrophobicContact CG-CZ2 4.22Å; G824-W829 VanDerWaalsContact CA-CE3 3.41Å; G824-W829 PolarHBondContact O-N 3.32Å; K827-W829 HydrophobicContact CD-CZ2 3.87Å; W829-S831 PolarHBondContact O-N 3.32Å
830	P	70.8	Confident	72.6	Confident	108 Å²	108	57.4 Å²	57.4	70%	0.701	33%	0.332	S	S	*	.			trans	-65.2	130	-174.8	26.4	-34.7	0	0	0	111.3	P790	P790-P830 WeakPolarHBondContact CG-O 3.35Å
831	S	73.9	Confident	72.2	Confident	42 Å²	42	60.4 Å²	60.4	29%	0.294	34%	0.344	S	S	.	.	S	Bend	trans	-157.2	-177.8	178.4	70.6	0	0	0	0	111.7	W829 M833	W829-S831 PolarHBondContact O-N 3.32Å; S831-M833 WeakPolarHBondContact OG-CB 3.36Å; S831-M833 PolarHBondContact OG-N 3.31Å; S831-M833 VanDerWaalsContact OG-N 3.17Å
832	W	73	Confident	71.7	Confident	92 Å²	92	61.1 Å²	61.1	35%	0.348	35%	0.35	S	S	.	.	S	Bend	trans	-74.5	-10.8	170.8	59	-95.2	0	0	0	113.2	W760 P790 A793 Q797	W760-W832 HydrophobicContact CB-CD2 4.29Å; W760-W832 HydrophobicContact CB-CG 4.02Å; W760-W832 HydrophobicContact CE3-CD2 4.12Å; W760-W832 AromaticContact CE3-CE2 3.71Å; W760-W832 HydrophobicContact CE3-CE3 4.3Å; W760-W832 AromaticContact CE3-CH2 3.79Å; W760-W832 HydrophobicContact CE3-CH2 3.79Å; W760-W832 AromaticContact CE3-CZ2 3.57Å; W760-W832 HydrophobicContact CE3-CZ2 3.57Å; W760-W832 HydrophobicContact CE3-CZ3 4.14Å; W760-W832 AromaticContact CZ3-CH2 3.74Å; W760-W832 HydrophobicContact CZ3-CH2 3.74Å; W760-W832 AromaticContact CZ3-CZ2 3.83Å; W760-W832 HydrophobicContact CZ3-CZ2 3.83Å; W760-W832 HydrophobicContact CZ3-CZ3 4.3Å; P790-W832 PolarHBondContact O-NE1 2.83Å; A793-W832 HydrophobicContact CB-CZ2 4.37Å; Q797-W832 HydrophobicContact CB-CH2 4.48Å
833	M	70.8	Confident	71.4	Confident	28 Å²	28	61.1 Å²	61.1	14%	0.138	35%	0.35	C	S	.	.	S	Bend	trans	-69.6	144.2	176.4	-68.4	-175.1	156.6	0	0	109.9	A793 S831 S835	A793-M833 HydrophobicContact CB-CE 3.75Å; A793-M833 HydrophobicContact CB-SD 4.01Å; S831-M833 WeakPolarHBondContact OG-CB 3.36Å; S831-M833 PolarHBondContact OG-N 3.31Å; S831-M833 VanDerWaalsContact OG-N 3.17Å; M833-S835 PolarHBondContact O-N 3Å
834	P	64.1	Low	71.1	Confident	90 Å²	90	67.2 Å²	67.2	58%	0.584	37%	0.373	S	S	*	.			trans	-61.5	138	174.9	-15.2	28.1	0	0	0	110	Y841 Q845	P834-Y841 VanDerWaalsContact O-CE1 3.3Å; P834-Y841 WeakPolarHBondContact O-CE1 3.15Å; P834-Q845 PolarHBondContact O-NE2 3Å
835	S	60.3	Low	71	Confident	115 Å²	115	69.2 Å²	69.2	80%	0.804	38%	0.382	S	S	*	.			trans	-117.5	132.8	173.5	57	0	0	0	0	109.8	M833	M833-S835 PolarHBondContact O-N 3Å
836	S	63	Low	70.9	Confident	57 Å²	57	68.6 Å²	68.6	40%	0.399	38%	0.379	S	S	.	.			trans	-107.4	156.5	170.6	-168.6	0	0	0	0	110.4	D838	S836-D838 PolarHBondContact OG-N 2.8Å; S836-D838 PolarHBondContact OG-OD2 2.76Å
837	E	59.3	Low	70.8	Confident	199 Å²	199	70 Å²	70	93%	0.93	39%	0.385	S	S	*	.	S	Bend	trans	-74.8	-13.3	167.4	-63.9	-175	166.9	0	0	112.2	P839	E837-P839 WeakPolarHBondContact O-CD 3.34Å
838	D	64.7	Low	70.7	Confident	98 Å²	98	67.9 Å²	67.9	52%	0.524	39%	0.386	S	S	.	.			trans	-63.1	120.5	176.1	-76.7	-44.1	0	0	0	112.1	S836 E840 Y841	S836-D838 PolarHBondContact OG-N 2.8Å; S836-D838 PolarHBondContact OG-OD2 2.76Å; D838-E840 VanDerWaalsContact C-N 3.27Å; D838-E840 PolarHBondContact O-N 3.45Å; D838-Y841 WeakPolarHBondContact O-CB 3.42Å; D838-Y841 PolarHBondContact O-N 3.13Å
839	P	61.4	Low	70.8	Confident	74 Å²	74	65.5 Å²	65.5	48%	0.481	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-29.1	-179.9	-22.8	33.5	0	0	0	114.1	E837 Y841 H872	E837-P839 WeakPolarHBondContact O-CD 3.34Å; P839-Y841 PolarHBondContact O-N 3.23Å; P839-H872 HydrophobicContact CB-CB 4.12Å; P839-H872 WeakPolarHBondContact CB-CD2 3.09Å
840	E	65.9	Low	70.6	Confident	67 Å²	67	65.1 Å²	65.1	31%	0.313	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-9	175.1	-61.4	-162	161.1	0	0	113.9	D838 A842 D843 R844 R875	D838-E840 VanDerWaalsContact C-N 3.27Å; D838-E840 PolarHBondContact O-N 3.45Å; E840-A842 VanDerWaalsContact C-N 3.31Å; E840-A842 PolarHBondContact O-N 2.95Å; E840-D843 WeakPolarHBondContact O-CB 3.25Å; E840-D843 PolarHBondContact O-N 3.38Å; E840-R844 PolarHBondContact O-N 3.29Å; E840-R844 VanDerWaalsContact O-N 3.14Å; E840-R844 IonicContact OE2-CZ 3.86Å; E840-R844 IonicContact OE2-NE 3.48Å; E840-R844 IonicContact OE2-NH2 3.97Å; E840-R844 PolarHBondContact OE2-NH2 3.28Å; E840-R875 IonicContact OE1-NH1 3.78Å; E840-R875 IonicContact OE2-NH1 3.26Å; E840-R875 PolarHBondContact OE2-NH1 2.92Å
841	Y	73.4	Confident	70.8	Confident	69 Å²	69	65.5 Å²	65.5	27%	0.271	36%	0.359	S	S	.	.	H	α-helix	trans	-66.8	-34.8	-172.5	-173.6	-104.3	0	0	0	112.4	P834 D838 P839 R844 Q845	P834-Y841 VanDerWaalsContact O-CE1 3.3Å; P834-Y841 WeakPolarHBondContact O-CE1 3.15Å; D838-Y841 WeakPolarHBondContact O-CB 3.42Å; D838-Y841 PolarHBondContact O-N 3.13Å; P839-Y841 PolarHBondContact O-N 3.23Å; Y841-R844 PolarHBondContact O-N 3.41Å; Y841-Q845 HydrophobicContact CD1-CG 4.34Å; Y841-Q845 HydrophobicContact CE1-CG 3.91Å; Y841-Q845 PolarHBondContact O-N 3.39Å; Y841-Q845 PolarHBondContact OH-NE2 3.3Å; Y841-Q845 VanDerWaalsContact OH-NE2 3.08Å
842	A	70.7	Confident	70.8	Confident	17 Å²	17	65.6 Å²	65.6	14%	0.14	35%	0.354	C	S	.	.	H	α-helix	trans	-62	-43.2	172.5	0	0	0	0	0	112	I825 E840 R844 Q845 L846	I825-A842 HydrophobicContact CG2-CB 4.38Å; E840-A842 VanDerWaalsContact C-N 3.31Å; E840-A842 PolarHBondContact O-N 2.95Å; A842-R844 VanDerWaalsContact C-N 3.34Å; A842-R844 PolarHBondContact O-N 3.41Å; A842-Q845 PolarHBondContact O-N 3.05Å; A842-L846 VanDerWaalsContact O-CG 3.3Å; A842-L846 WeakPolarHBondContact O-CG 3.29Å; A842-L846 PolarHBondContact O-N 3.39Å
843	D	76	Confident	71.1	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-57.7	-47.2	176.1	-167.8	45.1	0	0	0	110.4	E840 Q845 L846 I847 C873 R875 T876	E840-D843 WeakPolarHBondContact O-CB 3.25Å; E840-D843 PolarHBondContact O-N 3.38Å; D843-Q845 PolarHBondContact O-N 3.04Å; D843-L846 PolarHBondContact O-N 3.32Å; D843-I847 WeakPolarHBondContact O-CB 3.41Å; D843-I847 WeakPolarHBondContact O-CD1 3.43Å; D843-I847 WeakPolarHBondContact O-CG1 3.44Å; D843-I847 PolarHBondContact O-N 2.93Å; D843-C873 VanDerWaalsContact OD1-C 3.25Å; D843-C873 WeakPolarHBondContact OD1-CA 3.46Å; D843-R875 PolarHBondContact OD1-N 2.96Å; D843-R875 VanDerWaalsContact OD2-CB 3.28Å; D843-R875 WeakPolarHBondContact OD2-CB 3.23Å; D843-R875 WeakPolarHBondContact OD2-CD 3.22Å; D843-R875 WeakPolarHBondContact OD2-CG 3.19Å; D843-R875 IonicContact OD2-NH1 3.78Å; D843-T876 PolarHBondContact O-OG1 2.99Å; D843-T876 WeakPolarHBondContact OD1-CB 3.46Å; D843-T876 PolarHBondContact OD1-N 3.13Å; D843-T876 PolarHBondContact OD1-OG1 3.34Å
844	R	76.8	Confident	71.5	Confident	139 Å²	139	62.1 Å²	62.1	53%	0.525	34%	0.343	S	S	.	.	H	α-helix	trans	-64.8	-39.6	178.3	-62.9	177.2	-166.5	-177.5	4.7	112.8	E840 Y841 A842 A848	E840-R844 PolarHBondContact O-N 3.29Å; E840-R844 VanDerWaalsContact O-N 3.14Å; E840-R844 IonicContact OE2-CZ 3.86Å; E840-R844 IonicContact OE2-NE 3.48Å; E840-R844 IonicContact OE2-NH2 3.97Å; E840-R844 PolarHBondContact OE2-NH2 3.28Å; Y841-R844 PolarHBondContact O-N 3.41Å; A842-R844 VanDerWaalsContact C-N 3.34Å; A842-R844 PolarHBondContact O-N 3.41Å; R844-A848 PolarHBondContact O-N 3.12Å
845	Q	75.8	Confident	72	Confident	41 Å²	41	66.5 Å²	66.5	19%	0.192	36%	0.355	C	S	.	.	H	α-helix	trans	-66.7	-43	176.4	-76.9	-163.8	-14.7	0	0	112.5	I825 P834 Y841 A842 D843 A848 L849	I825-Q845 HydrophobicContact CG2-CB 4.28Å; P834-Q845 PolarHBondContact O-NE2 3Å; Y841-Q845 HydrophobicContact CD1-CG 4.34Å; Y841-Q845 HydrophobicContact CE1-CG 3.91Å; Y841-Q845 PolarHBondContact O-N 3.39Å; Y841-Q845 PolarHBondContact OH-NE2 3.3Å; Y841-Q845 VanDerWaalsContact OH-NE2 3.08Å; A842-Q845 PolarHBondContact O-N 3.05Å; D843-Q845 PolarHBondContact O-N 3.04Å; Q845-A848 WeakPolarHBondContact O-CB 3.42Å; Q845-A848 PolarHBondContact O-N 3.22Å; Q845-L849 PolarHBondContact O-N 2.83Å
846	L	78.9	Confident	72.8	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.3	-42.9	179.4	-68	171.1	0	0	0	111.8	F822 I825 C826 A842 D843 A848 L849 F850 T876	F822-L846 HydrophobicContact CD2-CD1 4.47Å; F822-L846 HydrophobicContact CD2-CD2 3.64Å; F822-L846 HydrophobicContact CE1-CD1 4.49Å; F822-L846 HydrophobicContact CE2-CD1 3.92Å; F822-L846 HydrophobicContact CE2-CD2 3.78Å; F822-L846 HydrophobicContact CE2-CG 4.29Å; F822-L846 HydrophobicContact CG-CD2 4.3Å; F822-L846 HydrophobicContact CZ-CD1 3.94Å; I825-L846 HydrophobicContact CB-CD2 4.03Å; I825-L846 HydrophobicContact CD1-CD2 3.93Å; I825-L846 HydrophobicContact CG2-CD1 4.39Å; I825-L846 HydrophobicContact CG2-CD2 3.83Å; I825-L846 HydrophobicContact CG2-CG 3.84Å; C826-L846 VanDerWaalsContact SG-CD1 3.57Å; A842-L846 VanDerWaalsContact O-CG 3.3Å; A842-L846 WeakPolarHBondContact O-CG 3.29Å; A842-L846 PolarHBondContact O-N 3.39Å; D843-L846 PolarHBondContact O-N 3.32Å; L846-A848 PolarHBondContact O-N 2.92Å; L846-L849 WeakPolarHBondContact O-CB 3.47Å; L846-L849 PolarHBondContact O-N 3.29Å; L846-F850 WeakPolarHBondContact O-CD1 3.49Å; L846-F850 WeakPolarHBondContact O-CG 3.14Å; L846-F850 PolarHBondContact O-N 2.99Å; L846-F850 VanDerWaalsContact O-N 3.12Å; L846-T876 HydrophobicContact CB-CG2 4.1Å; L846-T876 HydrophobicContact CD1-CG2 4.07Å
847	I	76.2	Confident	73.3	Confident	52 Å²	52	59.5 Å²	59.5	27%	0.267	30%	0.304	S	S	.	.	H	α-helix	trans	-58.3	-34.9	173.3	-66	159.6	0	0	0	111.5	D843 L849 F850 P851 R875	D843-I847 WeakPolarHBondContact O-CB 3.41Å; D843-I847 WeakPolarHBondContact O-CD1 3.43Å; D843-I847 WeakPolarHBondContact O-CG1 3.44Å; D843-I847 PolarHBondContact O-N 2.93Å; I847-L849 VanDerWaalsContact C-N 3.27Å; I847-L849 PolarHBondContact O-N 3.28Å; I847-F850 PolarHBondContact O-N 3.14Å; I847-P851 WeakPolarHBondContact O-CD 3.33Å; I847-R875 HydrophobicContact CD1-CB 3.55Å; I847-R875 HydrophobicContact CD1-CG 4.47Å
848	A	75.1	Confident	74	Confident	55 Å²	55	50.7 Å²	50.7	46%	0.455	27%	0.265	S	S	.	.	H	α-helix	trans	-71.4	-17.6	176.5	0	0	0	0	0	113.9	K800 R844 Q845 L846	K800-A848 PolarHBondContact NZ-O 3.43Å; R844-A848 PolarHBondContact O-N 3.12Å; Q845-A848 WeakPolarHBondContact O-CB 3.42Å; Q845-A848 PolarHBondContact O-N 3.22Å; L846-A848 PolarHBondContact O-N 2.92Å
849	L	74.9	Confident	74.4	Confident	14 Å²	14	49 Å²	49	7%	0.073	26%	0.261	C	S	.	.	H	α-helix	trans	-91	-28.8	175.2	-66.8	173.5	0	0	0	112.6	K800 I825 Q845 L846 I847 P851 F852 W853	K800-L849 HydrophobicContact CD-CD2 4.3Å; I825-L849 HydrophobicContact CD1-CD1 3.69Å; Q845-L849 PolarHBondContact O-N 2.83Å; L846-L849 WeakPolarHBondContact O-CB 3.47Å; L846-L849 PolarHBondContact O-N 3.29Å; I847-L849 VanDerWaalsContact C-N 3.27Å; I847-L849 PolarHBondContact O-N 3.28Å; L849-P851 VanDerWaalsContact C-CD 3.5Å; L849-F852 PolarHBondContact O-N 3.46Å; L849-F852 VanDerWaalsContact O-N 3.16Å; L849-W853 PolarHBondContact O-N 3.05Å
850	F	77.5	Confident	74.9	Confident	10 Å²	10	47.9 Å²	47.9	4%	0.044	25%	0.253	C	S	.	.	H	α-helix	trans	-58.1	-34.8	-176.6	-76.3	-1	0	0	0	116.9	F822 L846 I847 F852 W853 L854 A857 T876 R879 L880	F822-F850 HydrophobicContact CD2-CE1 4.48Å; F822-F850 AromaticContact CE2-CE1 3.86Å; F822-F850 HydrophobicContact CE2-CE1 3.86Å; F822-F850 AromaticContact CE2-CZ 3.87Å; F822-F850 HydrophobicContact CE2-CZ 3.87Å; L846-F850 WeakPolarHBondContact O-CD1 3.49Å; L846-F850 WeakPolarHBondContact O-CG 3.14Å; L846-F850 PolarHBondContact O-N 2.99Å; L846-F850 VanDerWaalsContact O-N 3.12Å; I847-F850 PolarHBondContact O-N 3.14Å; F850-F852 PolarHBondContact O-N 2.97Å; F850-W853 PolarHBondContact O-N 2.66Å; F850-L854 HydrophobicContact CB-CB 4.15Å; F850-L854 HydrophobicContact CB-CD1 4.39Å; F850-L854 HydrophobicContact CD2-CD1 3.96Å; F850-L854 HydrophobicContact CE2-CD1 4.27Å; F850-L854 HydrophobicContact CG-CD1 4.07Å; F850-L854 WeakPolarHBondContact O-CB 3.48Å; F850-L854 PolarHBondContact O-N 2.7Å; F850-A857 HydrophobicContact CE1-CB 3.95Å; F850-T876 HydrophobicContact CE2-CG2 3.66Å; F850-T876 HydrophobicContact CZ-CG2 3.51Å; F850-R879 HydrophobicContact CD2-CB 3.91Å; F850-R879 HydrophobicContact CE2-CB 4.01Å; F850-L880 HydrophobicContact CE1-CD2 4.47Å; F850-L880 HydrophobicContact CE2-CD2 4.26Å; F850-L880 HydrophobicContact CE2-CG 4.06Å; F850-L880 HydrophobicContact CZ-CD1 4.16Å; F850-L880 HydrophobicContact CZ-CD2 3.82Å; F850-L880 HydrophobicContact CZ-CG 3.86Å
851	P	74.2	Confident	75.3	Confident	116 Å²	116	49.4 Å²	49.4	75%	0.753	26%	0.263	S	S	*	.	H	α-helix	trans	-53.9	-18.8	174.5	-29.6	35.3	0	0	0	114.9	I847 L849	I847-P851 WeakPolarHBondContact O-CD 3.33Å; L849-P851 VanDerWaalsContact C-CD 3.5Å
852	F	73.9	Confident	75.5	Confident	44 Å²	44	50.1 Å²	50.1	19%	0.193	27%	0.268	C	S	.	.	H	α-helix	trans	-115	-43.7	178	-165.1	-103	0	0	0	113.1	K800 Q804 P805 L849 F850	K800-F852 HydrophobicContact CB-CD1 4.05Å; K800-F852 HydrophobicContact CB-CE1 4.42Å; K800-F852 HydrophobicContact CB-CG 4.43Å; K800-F852 HydrophobicContact CG-CB 4.23Å; K800-F852 HydrophobicContact CG-CD1 4.3Å; K800-F852 HydrophobicContact CG-CG 4.18Å; Q804-F852 VanDerWaalsContact C-CZ 3.43Å; Q804-F852 WeakPolarHBondContact O-CE1 3.35Å; Q804-F852 WeakPolarHBondContact O-CZ 3.27Å; P805-F852 HydrophobicContact CB-CE1 4.37Å; P805-F852 HydrophobicContact CB-CZ 4.08Å; L849-F852 PolarHBondContact O-N 3.46Å; L849-F852 VanDerWaalsContact O-N 3.16Å; F850-F852 PolarHBondContact O-N 2.97Å
853	W	80.9	Confident	75.9	Confident	1 Å²	1	49.5 Å²	49.5	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-99.4	0.9	-171.9	-63.4	111.3	0	0	0	115.4	R799 F807 F818 L849 F850 Q855 L856 A857	R799-W853 HydrophobicContact CB-CH2 4.08Å; R799-W853 HydrophobicContact CB-CZ2 3.85Å; F807-W853 AromaticContact CD2-CH2 3.98Å; F807-W853 HydrophobicContact CD2-CH2 3.98Å; F807-W853 HydrophobicContact CD2-CZ3 4.01Å; F807-W853 HydrophobicContact CE2-CE3 4.17Å; F807-W853 AromaticContact CE2-CH2 3.56Å; F807-W853 HydrophobicContact CE2-CH2 3.56Å; F807-W853 HydrophobicContact CE2-CZ2 4.12Å; F807-W853 AromaticContact CE2-CZ3 3.59Å; F807-W853 HydrophobicContact CE2-CZ3 3.59Å; F807-W853 AromaticContact CZ-CH2 3.99Å; F807-W853 HydrophobicContact CZ-CH2 3.99Å; F807-W853 HydrophobicContact CZ-CZ2 4.11Å; F807-W853 HydrophobicContact CZ-CZ3 4.38Å; F818-W853 HydrophobicContact CD2-CB 4.07Å; F818-W853 AromaticContact CD2-CD2 3.98Å; F818-W853 HydrophobicContact CD2-CD2 3.98Å; F818-W853 HydrophobicContact CD2-CE3 4.21Å; F818-W853 AromaticContact CD2-CG 3.94Å; F818-W853 HydrophobicContact CD2-CG 3.94Å; F818-W853 HydrophobicContact CE1-CB 4.32Å; F818-W853 HydrophobicContact CE2-CB 3.4Å; F818-W853 AromaticContact CE2-CD1 3.74Å; F818-W853 AromaticContact CE2-CD2 3.94Å; F818-W853 HydrophobicContact CE2-CD2 3.94Å; F818-W853 AromaticContact CE2-CG 3.41Å; F818-W853 HydrophobicContact CE2-CG 3.41Å; F818-W853 VanDerWaalsContact CE2-CG 3.41Å; F818-W853 HydrophobicContact CZ-CB 3.55Å; F818-W853 HydrophobicContact CZ-CG 4.08Å; L849-W853 PolarHBondContact O-N 3.05Å; F850-W853 PolarHBondContact O-N 2.66Å; W853-Q855 VanDerWaalsContact C-N 3.3Å; W853-Q855 PolarHBondContact O-N 2.75Å; W853-L856 HydrophobicContact CE3-CD1 3.59Å; W853-L856 HydrophobicContact CZ3-CD1 3.63Å; W853-L856 PolarHBondContact O-N 3.31Å; W853-A857 PolarHBondContact O-N 3.25Å
854	L	77.9	Confident	76.1	Confident	47 Å²	47	50.4 Å²	50.4	25%	0.246	27%	0.267	C	S	.	.	H	α-helix	trans	-58.6	-34.7	-173.3	179.4	66.1	0	0	0	114	F850 A857 A858 L880 A883	F850-L854 HydrophobicContact CB-CB 4.15Å; F850-L854 HydrophobicContact CB-CD1 4.39Å; F850-L854 HydrophobicContact CD2-CD1 3.96Å; F850-L854 HydrophobicContact CE2-CD1 4.27Å; F850-L854 HydrophobicContact CG-CD1 4.07Å; F850-L854 WeakPolarHBondContact O-CB 3.48Å; F850-L854 PolarHBondContact O-N 2.7Å; L854-A857 PolarHBondContact O-N 2.95Å; L854-A858 WeakPolarHBondContact O-CB 3.34Å; L854-A858 PolarHBondContact O-N 3.43Å; L854-L880 HydrophobicContact CD1-CD2 4.1Å; L854-A883 HydrophobicContact CD1-CB 4.08Å; L854-A883 HydrophobicContact CD2-CB 4.19Å; L854-A883 HydrophobicContact CG-CB 4.06Å
855	Q	75.5	Confident	76.3	Confident	182 Å²	182	49 Å²	49	85%	0.85	27%	0.27	S	S	*	.	H	α-helix	trans	-65.8	-43	179.6	-70.2	-173.9	-22.8	0	0	112.1	W853 S859	W853-Q855 VanDerWaalsContact C-N 3.3Å; W853-Q855 PolarHBondContact O-N 2.75Å; Q855-S859 PolarHBondContact O-N 2.93Å
856	L	76.3	Confident	76.4	Confident	25 Å²	25	48.9 Å²	48.9	13%	0.131	27%	0.27	C	S	.	.	H	α-helix	trans	-67.6	-42.8	173.8	-83.2	158	0	0	0	111.4	P805 D814 W853 A858 S859	P805-L856 VanDerWaalsContact O-CD1 3.31Å; P805-L856 WeakPolarHBondContact O-CD1 3.36Å; D814-L856 HydrophobicContact CB-CD2 4.07Å; W853-L856 HydrophobicContact CE3-CD1 3.59Å; W853-L856 HydrophobicContact CZ3-CD1 3.63Å; W853-L856 PolarHBondContact O-N 3.31Å; L856-A858 VanDerWaalsContact C-N 3.3Å; L856-A858 PolarHBondContact O-N 3.32Å; L856-S859 WeakPolarHBondContact O-CB 3.2Å; L856-S859 PolarHBondContact O-N 3.35Å; L856-S859 PolarHBondContact O-OG 2.82Å
857	A	74.8	Confident	76.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-31.5	177.3	0	0	0	0	0	113.5	F818 F850 W853 L854 C863 L880	F818-A857 HydrophobicContact CD1-CB 4.25Å; F818-A857 HydrophobicContact CE1-CB 3.68Å; F850-A857 HydrophobicContact CE1-CB 3.95Å; W853-A857 PolarHBondContact O-N 3.25Å; L854-A857 PolarHBondContact O-N 2.95Å; A857-C863 WeakPolarHBondContact O-CB 3.31Å; A857-L880 HydrophobicContact CB-CD2 3.92Å
858	A	73.6	Confident	76.4	Confident	13 Å²	13	50.7 Å²	50.7	11%	0.107	28%	0.284	C	S	.	.	H	α-helix	trans	-87.2	-6.5	-178.4	0	0	0	0	0	113.9	L854 L856 L880 A883 R884	L854-A858 WeakPolarHBondContact O-CB 3.34Å; L854-A858 PolarHBondContact O-N 3.43Å; L856-A858 VanDerWaalsContact C-N 3.3Å; L856-A858 PolarHBondContact O-N 3.32Å; A858-L880 HydrophobicContact CB-CD2 4.41Å; A858-A883 HydrophobicContact CB-CB 3.63Å; A858-R884 PolarHBondContact O-NE 2.85Å; A858-R884 PolarHBondContact O-NH2 3.43Å; A858-R884 VanDerWaalsContact O-NH2 3.15Å
859	S	71.9	Confident	76.1	Confident	63 Å²	63	51.4 Å²	51.4	44%	0.441	30%	0.296	S	S	.	.	S	Bend	trans	-60	-47.1	-175.5	60	0	0	0	0	114.6	E815 Q855 L856	E815-S859 WeakPolarHBondContact CG-OG 3.3Å; Q855-S859 PolarHBondContact O-N 2.93Å; L856-S859 WeakPolarHBondContact O-CB 3.2Å; L856-S859 PolarHBondContact O-N 3.35Å; L856-S859 PolarHBondContact O-OG 2.82Å
860	T	72.3	Confident	76	Confident	50 Å²	50	52.5 Å²	52.5	31%	0.307	30%	0.302	S	S	.	.	S	Bend	trans	-134.3	160.4	-175.7	74	0	0	0	0	113.4	E815 F862 R884	E815-T860 VanDerWaalsContact CD-CG2 3.41Å; E815-T860 WeakPolarHBondContact OE1-CB 2.96Å; E815-T860 WeakPolarHBondContact OE1-CG2 3.41Å; E815-T860 PolarHBondContact OE1-OG1 2.91Å; E815-T860 VanDerWaalsContact OE2-CG2 3.25Å; E815-T860 WeakPolarHBondContact OE2-CG2 3.18Å; T860-F862 PolarHBondContact O-N 3.38Å; T860-R884 VanDerWaalsContact C-NH2 3.33Å; T860-R884 PolarHBondContact O-NH2 2.87Å
861	D	74.4	Confident	75.4	Confident	99 Å²	99	60.2 Å²	60.2	53%	0.529	34%	0.338	S	S	.	.	H	α-helix	trans	-61.3	-9	-178.3	-65.4	-36.1	0	0	0	115.2	L864 N865 R884	D861-L864 PolarHBondContact O-N 3.15Å; D861-N865 VanDerWaalsContact O-CB 3.28Å; D861-N865 WeakPolarHBondContact O-CB 3.34Å; D861-N865 PolarHBondContact O-N 3.41Å; D861-N865 PolarHBondContact O-ND2 3.47Å; D861-N865 VanDerWaalsContact O-ND2 3.12Å; D861-R884 IonicContact OD1-CZ 2.93Å; D861-R884 IonicContact OD1-NH1 3.34Å; D861-R884 PolarHBondContact OD1-NH1 2.85Å
862	F	78.7	Confident	75.2	Confident	85 Å²	85	58.9 Å²	58.9	37%	0.373	32%	0.322	S	S	.	.	H	α-helix	trans	-55.9	-58.6	-179.6	-173.6	-102.4	0	0	0	113.4	T860 L864 N865 I866	T860-F862 PolarHBondContact O-N 3.38Å; F862-L864 VanDerWaalsContact C-N 3.32Å; F862-L864 PolarHBondContact O-N 3.01Å; F862-N865 PolarHBondContact O-N 2.74Å; F862-I866 HydrophobicContact CD1-CD1 3.91Å; F862-I866 HydrophobicContact CE1-CD1 3.41Å; F862-I866 VanDerWaalsContact CE1-CD1 3.41Å; F862-I866 HydrophobicContact CE2-CD1 4.11Å; F862-I866 HydrophobicContact CG-CD1 4.44Å; F862-I866 HydrophobicContact CZ-CD1 3.53Å; F862-I866 WeakPolarHBondContact O-CG1 3.35Å; F862-I866 PolarHBondContact O-N 2.94Å; F862-I866 VanDerWaalsContact O-N 3.12Å
863	C	79.1	Confident	75.3	Confident	4 Å²	4	56.8 Å²	56.8	3%	0.027	31%	0.313	C	S	.	.	H	α-helix	trans	-67.2	-33.5	-178.6	-61.8	0	0	0	0	112.2	F822 A857 A867 L880	F822-C863 HydrophobicContact CD1-CB 4.05Å; F822-C863 HydrophobicContact CD2-CB 4.38Å; F822-C863 HydrophobicContact CE1-CB 4.01Å; F822-C863 WeakPolarHBondContact CE1-O 3.26Å; F822-C863 HydrophobicContact CE2-CB 4.35Å; F822-C863 HydrophobicContact CG-CB 4.24Å; F822-C863 HydrophobicContact CZ-CB 4.16Å; A857-C863 WeakPolarHBondContact O-CB 3.31Å; C863-A867 WeakPolarHBondContact O-CB 3.4Å; C863-A867 PolarHBondContact O-N 3.34Å; C863-L880 HydrophobicContact CB-CD1 4.49Å
864	L	79.5	Confident	75.1	Confident	18 Å²	18	57.9 Å²	57.9	9%	0.094	32%	0.319	C	S	.	.	H	α-helix	trans	-66.8	-43.8	176.4	-178	64.6	0	0	0	111.4	D861 F862 I866 A867 V868 V877 L880 L881 R884	D861-L864 PolarHBondContact O-N 3.15Å; F862-L864 VanDerWaalsContact C-N 3.32Å; F862-L864 PolarHBondContact O-N 3.01Å; L864-I866 VanDerWaalsContact C-N 3.35Å; L864-I866 PolarHBondContact O-N 3.36Å; L864-A867 PolarHBondContact O-N 3.48Å; L864-V868 HydrophobicContact CD1-CG2 4.1Å; L864-V868 HydrophobicContact CG-CG2 4.32Å; L864-V868 WeakPolarHBondContact O-CB 3.32Å; L864-V868 VanDerWaalsContact O-CG2 3.27Å; L864-V868 WeakPolarHBondContact O-CG2 3.39Å; L864-V868 PolarHBondContact O-N 3.02Å; L864-V877 HydrophobicContact CD1-CG1 4.18Å; L864-L880 HydrophobicContact CD1-CB 3.97Å; L864-L880 HydrophobicContact CD1-CD1 4.42Å; L864-L881 HydrophobicContact CD1-CD2 4.25Å; L864-L881 HydrophobicContact CD1-CG 4.25Å; L864-L881 HydrophobicContact CD2-CD2 4.06Å; L864-R884 VanDerWaalsContact CD2-NH1 3.3Å
865	N	81.1	Confident	74.9	Confident	109 Å²	109	57.6 Å²	57.6	58%	0.583	32%	0.315	S	S	*	.	H	α-helix	trans	-65.2	-37.6	178.6	-70.9	-24.9	0	0	0	112	D861 F862 G869	D861-N865 VanDerWaalsContact O-CB 3.28Å; D861-N865 WeakPolarHBondContact O-CB 3.34Å; D861-N865 PolarHBondContact O-N 3.41Å; D861-N865 PolarHBondContact O-ND2 3.47Å; D861-N865 VanDerWaalsContact O-ND2 3.12Å; F862-N865 PolarHBondContact O-N 2.74Å; N865-G869 PolarHBondContact O-N 3.1Å
866	I	77.9	Confident	75.1	Confident	39 Å²	39	49 Å²	49	20%	0.2	28%	0.275	C	S	.	.	H	α-helix	trans	-65.7	-44.3	173.7	-67.6	171.4	0	0	0	110.9	F822 E823 C826 F862 L864 G869	F822-I866 HydrophobicContact CD1-CB 4.25Å; F822-I866 HydrophobicContact CD1-CG2 3.99Å; F822-I866 HydrophobicContact CE1-CB 4.12Å; F822-I866 HydrophobicContact CE1-CG2 3.97Å; E823-I866 HydrophobicContact CB-CD1 4.07Å; E823-I866 HydrophobicContact CG-CD1 4.32Å; C826-I866 HydrophobicContact CB-CG2 3.81Å; F862-I866 HydrophobicContact CD1-CD1 3.91Å; F862-I866 HydrophobicContact CE1-CD1 3.41Å; F862-I866 VanDerWaalsContact CE1-CD1 3.41Å; F862-I866 HydrophobicContact CE2-CD1 4.11Å; F862-I866 HydrophobicContact CG-CD1 4.44Å; F862-I866 HydrophobicContact CZ-CD1 3.53Å; F862-I866 WeakPolarHBondContact O-CG1 3.35Å; F862-I866 PolarHBondContact O-N 2.94Å; F862-I866 VanDerWaalsContact O-N 3.12Å; L864-I866 VanDerWaalsContact C-N 3.35Å; L864-I866 PolarHBondContact O-N 3.36Å; I866-G869 PolarHBondContact O-N 3.16Å
867	A	76.3	Confident	75.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.8	-40.5	179.2	0	0	0	0	0	112.7	F822 C863 L864 G869 N870 T876 V877 L880	F822-A867 HydrophobicContact CE1-CB 4.2Å; F822-A867 HydrophobicContact CZ-CB 4.05Å; C863-A867 WeakPolarHBondContact O-CB 3.4Å; C863-A867 PolarHBondContact O-N 3.34Å; L864-A867 PolarHBondContact O-N 3.48Å; A867-G869 VanDerWaalsContact C-N 3.3Å; A867-G869 PolarHBondContact O-N 3.35Å; A867-N870 PolarHBondContact O-N 3.13Å; A867-N870 VanDerWaalsContact O-O 3.11Å; A867-T876 HydrophobicContact CB-CG2 4.22Å; A867-V877 HydrophobicContact CB-CG2 3.59Å; A867-L880 HydrophobicContact CB-CD1 4.24Å
868	V	78	Confident	75.5	Confident	91 Å²	91	48.7 Å²	48.7	55%	0.552	27%	0.274	S	S	*	.	H	α-helix	trans	-68.4	-29.6	175.4	170.4	0	0	0	0	111.7	L864 N870 V877	L864-V868 HydrophobicContact CD1-CG2 4.1Å; L864-V868 HydrophobicContact CG-CG2 4.32Å; L864-V868 WeakPolarHBondContact O-CB 3.32Å; L864-V868 VanDerWaalsContact O-CG2 3.27Å; L864-V868 WeakPolarHBondContact O-CG2 3.39Å; L864-V868 PolarHBondContact O-N 3.02Å; V868-N870 PolarHBondContact O-N 3.04Å; V868-V877 HydrophobicContact CG2-CG1 3.88Å; V868-V877 HydrophobicContact CG2-CG2 3.84Å
869	G	69.6	Low	75.7	Confident	69 Å²	69	51.3 Å²	51.3	71%	0.711	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-3.9	173.1	0	0	0	0	0	115	N865 I866 A867	N865-G869 PolarHBondContact O-N 3.1Å; I866-G869 PolarHBondContact O-N 3.16Å; A867-G869 VanDerWaalsContact C-N 3.3Å; A867-G869 PolarHBondContact O-N 3.35Å
870	N	73.6	Confident	76	Confident	38 Å²	38	48.3 Å²	48.3	20%	0.203	26%	0.26	C	S	.	.	S	Bend	trans	-120.6	108.7	177.2	-173.2	-21.2	0	0	0	110	A867 V868 H872 C873	A867-N870 PolarHBondContact O-N 3.13Å; A867-N870 VanDerWaalsContact O-O 3.11Å; V868-N870 PolarHBondContact O-N 3.04Å; N870-H872 PolarHBondContact O-N 3.46Å; N870-H872 PolarHBondContact OD1-N 2.86Å; N870-C873 HydrophobicContact CB-CB 4.27Å; N870-C873 PolarHBondContact O-N 2.73Å
871	E	64.7	Low	76.4	Confident	171 Å²	171	46.5 Å²	46.5	80%	0.799	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-19.9	-173.6	-61.8	-173.3	168.9	0	0	114.1	V874	E871-V874 WeakPolarHBondContact O-CG2 3.36Å
872	H	68.9	Low	76.5	Confident	88 Å²	88	43.1 Å²	43.1	41%	0.407	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-7.5	-177.9	-53.4	-63.2	0	0	0	114.3	P839 N870 V874	P839-H872 HydrophobicContact CB-CB 4.12Å; P839-H872 WeakPolarHBondContact CB-CD2 3.09Å; N870-H872 PolarHBondContact O-N 3.46Å; N870-H872 PolarHBondContact OD1-N 2.86Å; H872-V874 VanDerWaalsContact C-N 3.27Å; H872-V874 PolarHBondContact O-N 3.45Å
873	C	77.1	Confident	76.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.23	C	C	.	.			trans	-89.4	33.5	-177.7	-71.4	0	0	0	0	113.9	D843 N870 R875 T876 V877	D843-C873 VanDerWaalsContact OD1-C 3.25Å; D843-C873 WeakPolarHBondContact OD1-CA 3.46Å; N870-C873 HydrophobicContact CB-CB 4.27Å; N870-C873 PolarHBondContact O-N 2.73Å; C873-R875 PolarHBondContact O-N 3.4Å; C873-T876 WeakPolarHBondContact O-CB 3.23Å; C873-T876 PolarHBondContact O-N 3.28Å; C873-V877 WeakPolarHBondContact O-CG2 3.39Å; C873-V877 PolarHBondContact O-N 3.03Å
874	V	75.1	Confident	76.3	Confident	24 Å²	24	43.3 Å²	43.3	15%	0.145	24%	0.237	C	C	.	.	H	α-helix	trans	-64.8	-41.5	-167.6	-173.6	0	0	0	0	112.6	E871 H872 V877 I878 Q897 W911	E871-V874 WeakPolarHBondContact O-CG2 3.36Å; H872-V874 VanDerWaalsContact C-N 3.27Å; H872-V874 PolarHBondContact O-N 3.45Å; V874-V877 PolarHBondContact O-N 2.99Å; V874-I878 HydrophobicContact CG1-CD1 3.95Å; V874-I878 WeakPolarHBondContact O-CD1 3.41Å; V874-I878 VanDerWaalsContact O-CG1 3.32Å; V874-I878 WeakPolarHBondContact O-CG1 3.4Å; V874-I878 PolarHBondContact O-N 3.4Å; V874-Q897 HydrophobicContact CG1-CG 3.89Å; V874-W911 HydrophobicContact CB-CH2 4.13Å; V874-W911 HydrophobicContact CG1-CH2 4.01Å
875	R	75.6	Confident	75.9	Confident	42 Å²	42	50.3 Å²	50.3	16%	0.158	27%	0.27	C	S	.	.	H	α-helix	trans	-69.9	-36.2	180	-55.2	173.3	179.8	95	-7.1	110.7	E840 D843 I847 C873 I878 R879 E910 W911	E840-R875 IonicContact OE1-NH1 3.78Å; E840-R875 IonicContact OE2-NH1 3.26Å; E840-R875 PolarHBondContact OE2-NH1 2.92Å; D843-R875 PolarHBondContact OD1-N 2.96Å; D843-R875 VanDerWaalsContact OD2-CB 3.28Å; D843-R875 WeakPolarHBondContact OD2-CB 3.23Å; D843-R875 WeakPolarHBondContact OD2-CD 3.22Å; D843-R875 WeakPolarHBondContact OD2-CG 3.19Å; D843-R875 IonicContact OD2-NH1 3.78Å; I847-R875 HydrophobicContact CD1-CB 3.55Å; I847-R875 HydrophobicContact CD1-CG 4.47Å; C873-R875 PolarHBondContact O-N 3.4Å; R875-I878 PolarHBondContact O-N 3.49Å; R875-R879 WeakPolarHBondContact O-CG 3.33Å; R875-R879 PolarHBondContact O-N 3.29Å; R875-E910 IonicContact NH2-OE2 2.79Å; R875-W911 HydrophobicContact CG-CH2 3.54Å; R875-W911 HydrophobicContact CG-CZ2 4.42Å; R875-W911 HydrophobicContact CG-CZ3 3.92Å
876	T	79.2	Confident	75.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60	-46.3	171.6	-61.3	0	0	0	0	111.5	F822 D843 L846 F850 A867 C873 R879 L880	F822-T876 HydrophobicContact CE2-CG2 4.15Å; F822-T876 HydrophobicContact CZ-CG2 3.87Å; D843-T876 PolarHBondContact O-OG1 2.99Å; D843-T876 WeakPolarHBondContact OD1-CB 3.46Å; D843-T876 PolarHBondContact OD1-N 3.13Å; D843-T876 PolarHBondContact OD1-OG1 3.34Å; L846-T876 HydrophobicContact CB-CG2 4.1Å; L846-T876 HydrophobicContact CD1-CG2 4.07Å; F850-T876 HydrophobicContact CE2-CG2 3.66Å; F850-T876 HydrophobicContact CZ-CG2 3.51Å; A867-T876 HydrophobicContact CB-CG2 4.22Å; C873-T876 WeakPolarHBondContact O-CB 3.23Å; C873-T876 PolarHBondContact O-N 3.28Å; T876-R879 PolarHBondContact O-N 2.94Å; T876-L880 HydrophobicContact CG2-CD1 4.34Å; T876-L880 WeakPolarHBondContact O-CG 3.17Å; T876-L880 PolarHBondContact O-N 2.58Å; T876-L880 VanDerWaalsContact O-N 3.08Å
877	V	80.5	Confident	75.6	Confident	11 Å²	11	49 Å²	49	7%	0.067	26%	0.26	C	S	.	.	H	α-helix	trans	-59.9	-47.2	175.2	171.1	0	0	0	0	111.4	L864 A867 V868 C873 V874 R879 L880 L881 L893	L864-V877 HydrophobicContact CD1-CG1 4.18Å; A867-V877 HydrophobicContact CB-CG2 3.59Å; V868-V877 HydrophobicContact CG2-CG1 3.88Å; V868-V877 HydrophobicContact CG2-CG2 3.84Å; C873-V877 WeakPolarHBondContact O-CG2 3.39Å; C873-V877 PolarHBondContact O-N 3.03Å; V874-V877 PolarHBondContact O-N 2.99Å; V877-R879 VanDerWaalsContact C-N 3.31Å; V877-R879 PolarHBondContact O-N 3.05Å; V877-L880 PolarHBondContact O-N 3.12Å; V877-L881 HydrophobicContact CG1-CD1 3.83Å; V877-L881 HydrophobicContact CG1-CG 4.35Å; V877-L881 WeakPolarHBondContact O-CG 3.26Å; V877-L881 PolarHBondContact O-N 3.27Å; V877-L893 HydrophobicContact CG1-CD1 4.04Å
878	I	78.1	Confident	75.4	Confident	8 Å²	8	55.5 Å²	55.5	4%	0.041	29%	0.29	C	S	.	.	H	α-helix	trans	-57.7	-43.2	178.3	-69.7	157.6	0	0	0	111	V874 R875 L881 E882 A890 L893 L894 W911	V874-I878 HydrophobicContact CG1-CD1 3.95Å; V874-I878 WeakPolarHBondContact O-CD1 3.41Å; V874-I878 VanDerWaalsContact O-CG1 3.32Å; V874-I878 WeakPolarHBondContact O-CG1 3.4Å; V874-I878 PolarHBondContact O-N 3.4Å; R875-I878 PolarHBondContact O-N 3.49Å; I878-L881 PolarHBondContact O-N 3.45Å; I878-E882 WeakPolarHBondContact O-CG 3.26Å; I878-E882 PolarHBondContact O-N 3.3Å; I878-A890 HydrophobicContact CG2-CB 4.44Å; I878-L893 HydrophobicContact CG1-CB 4.4Å; I878-L894 HydrophobicContact CD1-CD2 3.67Å; I878-L894 HydrophobicContact CD1-CG 3.78Å; I878-L894 HydrophobicContact CG1-CG 4.34Å; I878-L894 HydrophobicContact CG2-CD1 4.14Å; I878-L894 HydrophobicContact CG2-CG 4.25Å; I878-W911 HydrophobicContact CD1-CZ3 3.99Å
879	R	77.3	Confident	75.3	Confident	68 Å²	68	59 Å²	59	26%	0.257	29%	0.294	S	S	.	.	H	α-helix	trans	-68	-34.8	178.1	-69	-51.9	-156	139.9	15.9	114.2	F850 R875 T876 V877 E882 A883 R921	F850-R879 HydrophobicContact CD2-CB 3.91Å; F850-R879 HydrophobicContact CE2-CB 4.01Å; R875-R879 WeakPolarHBondContact O-CG 3.33Å; R875-R879 PolarHBondContact O-N 3.29Å; T876-R879 PolarHBondContact O-N 2.94Å; V877-R879 VanDerWaalsContact C-N 3.31Å; V877-R879 PolarHBondContact O-N 3.05Å; R879-E882 WeakPolarHBondContact CD-OE2 3.38Å; R879-E882 IonicContact CZ-OE2 3.63Å; R879-E882 IonicContact NE-OE2 2.61Å; R879-E882 IonicContact NH1-OE1 2.73Å; R879-E882 IonicContact NH1-OE2 3.99Å; R879-E882 PolarHBondContact NH1-OE2 2.93Å; R879-A883 WeakPolarHBondContact O-CB 3.37Å; R879-A883 PolarHBondContact O-N 2.91Å; R879-A883 VanDerWaalsContact O-N 3.1Å; R879-R921 VanDerWaalsContact NH2-CZ 3.28Å; R879-R921 VanDerWaalsContact NH2-NH2 3.18Å
880	L	78.9	Confident	75.7	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-69.9	-36.5	173.7	-69.1	171.4	0	0	0	111.5	F822 F850 L854 A857 A858 C863 L864 A867 T876 V877 A883 R884	F822-L880 HydrophobicContact CZ-CD1 4.25Å; F850-L880 HydrophobicContact CE1-CD2 4.47Å; F850-L880 HydrophobicContact CE2-CD2 4.26Å; F850-L880 HydrophobicContact CE2-CG 4.06Å; F850-L880 HydrophobicContact CZ-CD1 4.16Å; F850-L880 HydrophobicContact CZ-CD2 3.82Å; F850-L880 HydrophobicContact CZ-CG 3.86Å; L854-L880 HydrophobicContact CD1-CD2 4.1Å; A857-L880 HydrophobicContact CB-CD2 3.92Å; A858-L880 HydrophobicContact CB-CD2 4.41Å; C863-L880 HydrophobicContact CB-CD1 4.49Å; L864-L880 HydrophobicContact CD1-CB 3.97Å; L864-L880 HydrophobicContact CD1-CD1 4.42Å; A867-L880 HydrophobicContact CB-CD1 4.24Å; T876-L880 HydrophobicContact CG2-CD1 4.34Å; T876-L880 WeakPolarHBondContact O-CG 3.17Å; T876-L880 PolarHBondContact O-N 2.58Å; T876-L880 VanDerWaalsContact O-N 3.08Å; V877-L880 PolarHBondContact O-N 3.12Å; L880-A883 PolarHBondContact O-N 2.78Å; L880-R884 WeakPolarHBondContact O-CG 3.44Å; L880-R884 PolarHBondContact O-N 3.21Å
881	L	79.9	Confident	76	Confident	13 Å²	13	54.2 Å²	54.2	7%	0.068	25%	0.251	C	S	.	.	H	α-helix	trans	-70.1	-38.6	173.9	-67.7	171.7	0	0	0	112.7	L864 V877 I878 R884 Q885 H886 R889 A890 L893	L864-L881 HydrophobicContact CD1-CD2 4.25Å; L864-L881 HydrophobicContact CD1-CG 4.25Å; L864-L881 HydrophobicContact CD2-CD2 4.06Å; V877-L881 HydrophobicContact CG1-CD1 3.83Å; V877-L881 HydrophobicContact CG1-CG 4.35Å; V877-L881 WeakPolarHBondContact O-CG 3.26Å; V877-L881 PolarHBondContact O-N 3.27Å; I878-L881 PolarHBondContact O-N 3.45Å; L881-R884 PolarHBondContact O-N 3.49Å; L881-Q885 PolarHBondContact O-N 3.43Å; L881-H886 HydrophobicContact CB-CB 4.35Å; L881-H886 HydrophobicContact CD2-CB 3.98Å; L881-H886 PolarHBondContact O-N 2.87Å; L881-R889 HydrophobicContact CD1-CB 4.42Å; L881-A890 HydrophobicContact CB-CB 3.95Å; L881-L893 HydrophobicContact CD1-CD1 3.64Å
882	E	77.1	Confident	76.7	Confident	27 Å²	27	50 Å²	50	13%	0.126	23%	0.234	C	C	.	.	H	α-helix	trans	-54.2	-52.9	169.4	-81.8	-177.9	179.6	0	0	110.5	I878 R879 R884 Q885 F918 R921	I878-E882 WeakPolarHBondContact O-CG 3.26Å; I878-E882 PolarHBondContact O-N 3.3Å; R879-E882 WeakPolarHBondContact CD-OE2 3.38Å; R879-E882 IonicContact CZ-OE2 3.63Å; R879-E882 IonicContact NE-OE2 2.61Å; R879-E882 IonicContact NH1-OE1 2.73Å; R879-E882 IonicContact NH1-OE2 3.99Å; R879-E882 PolarHBondContact NH1-OE2 2.93Å; E882-R884 PolarHBondContact O-N 3.3Å; E882-Q885 PolarHBondContact O-N 3.39Å; E882-F918 HydrophobicContact CG-CD2 3.85Å; E882-F918 HydrophobicContact CG-CE2 3.71Å; E882-F918 WeakPolarHBondContact OE1-CD2 3.4Å; E882-R921 IonicContact OE1-NH1 3.11Å; E882-R921 PolarHBondContact OE1-NH1 3.01Å
883	A	76.7	Confident	77.2	Confident	48 Å²	48	48.2 Å²	48.2	40%	0.397	23%	0.227	S	C	.	.	H	α-helix	trans	-61.9	-28.1	-177.6	0	0	0	0	0	113.2	L854 A858 R879 L880	L854-A883 HydrophobicContact CD1-CB 4.08Å; L854-A883 HydrophobicContact CD2-CB 4.19Å; L854-A883 HydrophobicContact CG-CB 4.06Å; A858-A883 HydrophobicContact CB-CB 3.63Å; R879-A883 WeakPolarHBondContact O-CB 3.37Å; R879-A883 PolarHBondContact O-N 2.91Å; R879-A883 VanDerWaalsContact O-N 3.1Å; L880-A883 PolarHBondContact O-N 2.78Å
884	R	76.4	Confident	77.2	Confident	45 Å²	45	48.4 Å²	48.4	17%	0.17	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	6.9	175.7	-68.1	-173	-174.4	154.2	24.7	114.9	A858 T860 D861 L864 L880 L881 E882 H886	A858-R884 PolarHBondContact O-NE 2.85Å; A858-R884 PolarHBondContact O-NH2 3.43Å; A858-R884 VanDerWaalsContact O-NH2 3.15Å; T860-R884 VanDerWaalsContact C-NH2 3.33Å; T860-R884 PolarHBondContact O-NH2 2.87Å; D861-R884 IonicContact OD1-CZ 2.93Å; D861-R884 IonicContact OD1-NH1 3.34Å; D861-R884 PolarHBondContact OD1-NH1 2.85Å; L864-R884 VanDerWaalsContact CD2-NH1 3.3Å; L880-R884 WeakPolarHBondContact O-CG 3.44Å; L880-R884 PolarHBondContact O-N 3.21Å; L881-R884 PolarHBondContact O-N 3.49Å; E882-R884 PolarHBondContact O-N 3.3Å; R884-H886 PolarHBondContact O-N 3.42Å
885	Q	72.1	Confident	77.2	Confident	166 Å²	166	48.7 Å²	48.7	78%	0.776	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	19.2	-177.9	-51	-177.4	-9.1	0	0	114.7	L881 E882 L887	L881-Q885 PolarHBondContact O-N 3.43Å; E882-Q885 PolarHBondContact O-N 3.39Å; Q885-L887 PolarHBondContact O-N 2.85Å
886	H	79.4	Confident	77.4	Confident	86 Å²	86	50.6 Å²	50.6	40%	0.398	24%	0.238	S	C	.	.			trans	-82.2	56.6	172.8	-72	-43.8	0	0	0	111.4	L881 R884 E888 R889 A890	L881-H886 HydrophobicContact CB-CB 4.35Å; L881-H886 HydrophobicContact CD2-CB 3.98Å; L881-H886 PolarHBondContact O-N 2.87Å; R884-H886 PolarHBondContact O-N 3.42Å; H886-E888 PolarHBondContact O-N 2.99Å; H886-R889 PolarHBondContact O-N 3.06Å; H886-A890 PolarHBondContact O-N 2.72Å
887	L	73	Confident	77.3	Confident	35 Å²	35	52.2 Å²	52.2	18%	0.183	25%	0.246	C	C	.	.	H	α-helix	trans	-63.9	-34.8	-168.1	-59.9	-178.8	0	0	0	113.9	Q885 F891 F918	Q885-L887 PolarHBondContact O-N 2.85Å; L887-F891 WeakPolarHBondContact O-CB 3.48Å; L887-F891 PolarHBondContact O-N 2.92Å; L887-F918 HydrophobicContact CB-CZ 4.4Å; L887-F918 HydrophobicContact CD2-CE2 4.48Å; L887-F918 HydrophobicContact CD2-CZ 4.26Å
888	E	71.9	Confident	77	Confident	136 Å²	136	51.8 Å²	51.8	64%	0.636	24%	0.243	S	C	*	.	H	α-helix	trans	-66.8	-49.9	176.7	-65.8	-174.1	146.6	0	0	111.2	H886 A890 F891 D892	H886-E888 PolarHBondContact O-N 2.99Å; E888-A890 VanDerWaalsContact C-N 3.28Å; E888-A890 PolarHBondContact O-N 3.17Å; E888-F891 CarbonylContact O-C 3.23Å; E888-F891 PolarHBondContact O-N 3.06Å; E888-D892 WeakPolarHBondContact O-CB 3.47Å; E888-D892 VanDerWaalsContact O-CG 3.24Å; E888-D892 PolarHBondContact O-N 3.42Å
889	R	76.1	Confident	76.7	Confident	165 Å²	165	55.2 Å²	55.2	62%	0.623	26%	0.259	S	S	*	.	H	α-helix	trans	-61.5	-35.7	177.2	-65.4	-177.5	179.7	175.8	-0.8	112.9	L881 H886 L893	L881-R889 HydrophobicContact CD1-CB 4.42Å; H886-R889 PolarHBondContact O-N 3.06Å; R889-L893 WeakPolarHBondContact O-CB 3.38Å; R889-L893 WeakPolarHBondContact O-CG 3.31Å; R889-L893 PolarHBondContact O-N 3.21Å; R889-L893 VanDerWaalsContact O-N 3.11Å
890	A	78.3	Confident	76.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.5	-41.3	174.1	0	0	0	0	0	111.9	I878 L881 H886 E888 L894 F918	I878-A890 HydrophobicContact CG2-CB 4.44Å; L881-A890 HydrophobicContact CB-CB 3.95Å; H886-A890 PolarHBondContact O-N 2.72Å; E888-A890 VanDerWaalsContact C-N 3.28Å; E888-A890 PolarHBondContact O-N 3.17Å; A890-L894 WeakPolarHBondContact O-CG 3.18Å; A890-L894 PolarHBondContact O-N 3.27Å; A890-L894 VanDerWaalsContact O-N 3.1Å; A890-F918 HydrophobicContact CB-CE2 3.68Å; A890-F918 HydrophobicContact CB-CZ 4.07Å
891	F	78.9	Confident	76.3	Confident	5 Å²	5	59.5 Å²	59.5	2%	0.022	28%	0.281	C	S	.	.	H	α-helix	trans	-69.8	-41.2	176	-179.5	-97	0	0	0	112.6	L887 E888 L893 L894 F895 T915 F918 R931 V935	L887-F891 WeakPolarHBondContact O-CB 3.48Å; L887-F891 PolarHBondContact O-N 2.92Å; E888-F891 CarbonylContact O-C 3.23Å; E888-F891 PolarHBondContact O-N 3.06Å; F891-L893 VanDerWaalsContact C-N 3.33Å; F891-L893 PolarHBondContact O-N 2.72Å; F891-L894 WeakPolarHBondContact O-CB 3.27Å; F891-L894 PolarHBondContact O-N 3.23Å; F891-F895 HydrophobicContact CE1-CB 4.48Å; F891-F895 HydrophobicContact CZ-CD2 4.37Å; F891-F895 WeakPolarHBondContact O-CB 3.26Å; F891-F895 PolarHBondContact O-N 3.29Å; F891-T915 HydrophobicContact CE2-CG2 4.17Å; F891-F918 HydrophobicContact CB-CE1 4.01Å; F891-F918 HydrophobicContact CB-CZ 4.27Å; F891-F918 HydrophobicContact CD2-CD1 4.39Å; F891-F918 HydrophobicContact CD2-CE1 4.19Å; F891-R931 HydrophobicContact CD1-CG 4.23Å; F891-R931 HydrophobicContact CD2-CB 4.26Å; F891-R931 HydrophobicContact CD2-CG 4.32Å; F891-R931 HydrophobicContact CE1-CB 4.3Å; F891-R931 HydrophobicContact CE1-CG 4.11Å; F891-R931 HydrophobicContact CE2-CB 3.76Å; F891-R931 HydrophobicContact CE2-CG 4.21Å; F891-R931 HydrophobicContact CG-CG 4.33Å; F891-R931 HydrophobicContact CZ-CB 3.78Å; F891-R931 HydrophobicContact CZ-CG 4.1Å; F891-V935 HydrophobicContact CE2-CG2 4.17Å; F891-V935 HydrophobicContact CZ-CG2 3.98Å
892	D	79.3	Confident	75.5	Confident	84 Å²	84	62.2 Å²	62.2	45%	0.449	29%	0.292	S	S	.	.	H	α-helix	trans	-63.2	-39.8	177.7	-67.3	-29.5	0	0	0	110.8	E888 F895 E896	E888-D892 WeakPolarHBondContact O-CB 3.47Å; E888-D892 VanDerWaalsContact O-CG 3.24Å; E888-D892 PolarHBondContact O-N 3.42Å; D892-F895 PolarHBondContact O-N 3.08Å; D892-E896 VanDerWaalsContact O-CB 3.29Å; D892-E896 WeakPolarHBondContact O-CB 3.2Å; D892-E896 PolarHBondContact O-N 3.14Å
893	L	79.1	Confident	74.6	Confident	50 Å²	50	67.1 Å²	67.1	26%	0.262	32%	0.319	S	S	.	.	H	α-helix	trans	-66.1	-40.8	172.6	-75.9	168.6	0	0	0	112.8	V877 I878 L881 R889 F891 F895 E896 Q897	V877-L893 HydrophobicContact CG1-CD1 4.04Å; I878-L893 HydrophobicContact CG1-CB 4.4Å; L881-L893 HydrophobicContact CD1-CD1 3.64Å; R889-L893 WeakPolarHBondContact O-CB 3.38Å; R889-L893 WeakPolarHBondContact O-CG 3.31Å; R889-L893 PolarHBondContact O-N 3.21Å; R889-L893 VanDerWaalsContact O-N 3.11Å; F891-L893 VanDerWaalsContact C-N 3.33Å; F891-L893 PolarHBondContact O-N 2.72Å; L893-F895 VanDerWaalsContact C-N 3.34Å; L893-E896 PolarHBondContact O-N 3.36Å; L893-Q897 WeakPolarHBondContact O-CG 3.49Å; L893-Q897 PolarHBondContact O-N 3.02Å
894	L	77.4	Confident	74.2	Confident	3 Å²	3	70.3 Å²	70.3	2%	0.016	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-44.2	172.9	-80.3	164.9	0	0	0	111.4	I878 A890 F891 Q897 L898 W911 F918	I878-L894 HydrophobicContact CD1-CD2 3.67Å; I878-L894 HydrophobicContact CD1-CG 3.78Å; I878-L894 HydrophobicContact CG1-CG 4.34Å; I878-L894 HydrophobicContact CG2-CD1 4.14Å; I878-L894 HydrophobicContact CG2-CG 4.25Å; A890-L894 WeakPolarHBondContact O-CG 3.18Å; A890-L894 PolarHBondContact O-N 3.27Å; A890-L894 VanDerWaalsContact O-N 3.1Å; F891-L894 WeakPolarHBondContact O-CB 3.27Å; F891-L894 PolarHBondContact O-N 3.23Å; L894-Q897 PolarHBondContact O-N 2.82Å; L894-L898 PolarHBondContact O-N 3.47Å; L894-W911 HydrophobicContact CD2-CE3 4Å; L894-W911 HydrophobicContact CD2-CZ3 4.12Å; L894-F918 HydrophobicContact CD1-CB 3.66Å; L894-F918 HydrophobicContact CD1-CD1 4.08Å; L894-F918 HydrophobicContact CD1-CD2 3.71Å; L894-F918 HydrophobicContact CD1-CE2 4.38Å; L894-F918 HydrophobicContact CD1-CG 3.55Å
895	F	75.7	Confident	73.5	Confident	31 Å²	31	72.3 Å²	72.3	14%	0.136	34%	0.34	C	S	.	.	H	α-helix	trans	-67	-40.7	178.2	-164.3	-96.3	0	0	0	111.4	F891 D892 L893 Q897 L898 E899 V935 F938	F891-F895 HydrophobicContact CE1-CB 4.48Å; F891-F895 HydrophobicContact CZ-CD2 4.37Å; F891-F895 WeakPolarHBondContact O-CB 3.26Å; F891-F895 PolarHBondContact O-N 3.29Å; D892-F895 PolarHBondContact O-N 3.08Å; L893-F895 VanDerWaalsContact C-N 3.34Å; F895-Q897 VanDerWaalsContact C-N 3.31Å; F895-Q897 PolarHBondContact O-N 3.45Å; F895-L898 CarbonylContact O-C 3.55Å; F895-L898 WeakPolarHBondContact O-CB 3.38Å; F895-L898 PolarHBondContact O-N 2.77Å; F895-E899 HydrophobicContact CD1-CG 3.91Å; F895-E899 HydrophobicContact CE1-CG 3.72Å; F895-E899 HydrophobicContact CZ-CG 4.42Å; F895-E899 WeakPolarHBondContact O-CB 3.22Å; F895-E899 WeakPolarHBondContact O-CG 3.38Å; F895-E899 PolarHBondContact O-N 3.37Å; F895-V935 HydrophobicContact CD2-CG2 4.22Å; F895-V935 HydrophobicContact CE2-CG2 4.37Å; F895-F938 HydrophobicContact CZ-CG 4.48Å
896	E	80.4	Confident	73.1	Confident	81 Å²	81	70.9 Å²	70.9	38%	0.379	34%	0.338	S	S	.	.	H	α-helix	trans	-63.5	-35	175.3	-164.9	-170.5	158.7	0	0	112	D892 L893 E899 K900	D892-E896 VanDerWaalsContact O-CB 3.29Å; D892-E896 WeakPolarHBondContact O-CB 3.2Å; D892-E896 PolarHBondContact O-N 3.14Å; L893-E896 PolarHBondContact O-N 3.36Å; E896-E899 PolarHBondContact O-N 3.28Å; E896-K900 HydrophobicContact CG-CD 4.23Å; E896-K900 WeakPolarHBondContact O-CB 3.23Å; E896-K900 VanDerWaalsContact O-CG 3.3Å; E896-K900 WeakPolarHBondContact O-CG 3.43Å; E896-K900 PolarHBondContact O-N 3.07Å; E896-K900 WeakPolarHBondContact OE1-CE 3.44Å; E896-K900 IonicContact OE1-NZ 2.72Å; E896-K900 PolarHBondContact OE1-NZ 2.93Å
897	Q	76.9	Confident	72.4	Confident	35 Å²	35	70.2 Å²	70.2	16%	0.164	34%	0.336	C	S	.	.	H	α-helix	trans	-72.2	-37.4	173.2	-67.8	-60.4	-23.9	0	0	112.8	V874 L893 L894 F895 E899 K900 N901 W911	V874-Q897 HydrophobicContact CG1-CG 3.89Å; L893-Q897 WeakPolarHBondContact O-CG 3.49Å; L893-Q897 PolarHBondContact O-N 3.02Å; L894-Q897 PolarHBondContact O-N 2.82Å; F895-Q897 VanDerWaalsContact C-N 3.31Å; F895-Q897 PolarHBondContact O-N 3.45Å; Q897-E899 VanDerWaalsContact C-N 3.27Å; Q897-E899 PolarHBondContact O-N 2.8Å; Q897-K900 PolarHBondContact O-N 3.07Å; Q897-N901 WeakPolarHBondContact O-CB 3.42Å; Q897-N901 PolarHBondContact O-N 3.39Å; Q897-N901 VanDerWaalsContact O-N 3.15Å; Q897-N901 PolarHBondContact O-ND2 2.99Å; Q897-W911 HydrophobicContact CB-CD2 3.97Å; Q897-W911 HydrophobicContact CB-CE3 4.2Å; Q897-W911 HydrophobicContact CB-CG 4.36Å; Q897-W911 HydrophobicContact CB-CZ2 4.39Å; Q897-W911 HydrophobicContact CG-CH2 4.29Å; Q897-W911 HydrophobicContact CG-CZ2 4.28Å; Q897-W911 HydrophobicContact CG-CZ3 4.48Å
898	L	73.6	Confident	72.2	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-60.4	-39.6	167.9	-78.6	167.9	0	0	0	111.3	L894 F895 M908 W911 L912 T915	L894-L898 PolarHBondContact O-N 3.47Å; F895-L898 CarbonylContact O-C 3.55Å; F895-L898 WeakPolarHBondContact O-CB 3.38Å; F895-L898 PolarHBondContact O-N 2.77Å; L898-M908 HydrophobicContact CD2-CG 4.39Å; L898-M908 HydrophobicContact CD2-SD 4.3Å; L898-W911 HydrophobicContact CD2-CB 3.78Å; L898-W911 HydrophobicContact CG-CB 4.08Å; L898-L912 HydrophobicContact CD2-CB 4.46Å; L898-L912 HydrophobicContact CD2-CD2 4.13Å; L898-L912 HydrophobicContact CD2-CG 3.85Å; L898-T915 HydrophobicContact CD1-CG2 4.27Å
899	E	73	Confident	71.9	Confident	79 Å²	79	65.3 Å²	65.3	37%	0.369	32%	0.318	S	S	.	.	H	α-helix	trans	-73	-34.8	179.3	-74.5	-149.4	107.2	0	0	113.9	F895 E896 Q897 K902	F895-E899 HydrophobicContact CD1-CG 3.91Å; F895-E899 HydrophobicContact CE1-CG 3.72Å; F895-E899 HydrophobicContact CZ-CG 4.42Å; F895-E899 WeakPolarHBondContact O-CB 3.22Å; F895-E899 WeakPolarHBondContact O-CG 3.38Å; F895-E899 PolarHBondContact O-N 3.37Å; E896-E899 PolarHBondContact O-N 3.28Å; Q897-E899 VanDerWaalsContact C-N 3.27Å; Q897-E899 PolarHBondContact O-N 2.8Å; E899-K902 VanDerWaalsContact O-CD 3.23Å; E899-K902 WeakPolarHBondContact O-CD 3.4Å; E899-K902 WeakPolarHBondContact O-CE 3.26Å; E899-K902 WeakPolarHBondContact O-CG 3.24Å; E899-K902 WeakPolarHBondContact OE1-CE 3.43Å; E899-K902 IonicContact OE1-NZ 3.36Å; E899-K902 PolarHBondContact OE1-NZ 2.85Å
900	K	76.3	Confident	71.6	Confident	130 Å²	130	62.8 Å²	62.8	57%	0.565	31%	0.313	S	S	*	.	H	α-helix	trans	-71.3	-31.8	176.6	-80.2	167.8	167.2	169.8	0	112.6	E896 Q897 K902	E896-K900 HydrophobicContact CG-CD 4.23Å; E896-K900 WeakPolarHBondContact O-CB 3.23Å; E896-K900 VanDerWaalsContact O-CG 3.3Å; E896-K900 WeakPolarHBondContact O-CG 3.43Å; E896-K900 PolarHBondContact O-N 3.07Å; E896-K900 WeakPolarHBondContact OE1-CE 3.44Å; E896-K900 IonicContact OE1-NZ 2.72Å; E896-K900 PolarHBondContact OE1-NZ 2.93Å; Q897-K900 PolarHBondContact O-N 3.07Å; K900-K902 VanDerWaalsContact C-N 3.33Å; K900-K902 PolarHBondContact O-N 2.9Å
901	N	71.6	Confident	71.4	Confident	28 Å²	28	63.3 Å²	63.3	15%	0.15	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	25.8	-179.1	-63.6	-65.9	0	0	0	113.3	Q897 D903 H904 I907	Q897-N901 WeakPolarHBondContact O-CB 3.42Å; Q897-N901 PolarHBondContact O-N 3.39Å; Q897-N901 VanDerWaalsContact O-N 3.15Å; Q897-N901 PolarHBondContact O-ND2 2.99Å; N901-D903 PolarHBondContact O-N 2.91Å; N901-H904 PolarHBondContact O-N 3.42Å; N901-H904 VanDerWaalsContact O-N 3.16Å; N901-I907 HydrophobicContact CB-CG2 3.95Å
902	K	62.2	Low	71	Confident	70 Å²	70	63.6 Å²	63.6	30%	0.304	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-23.8	-176.8	-93.9	173.5	-152	-168.3	0	116	E899 K900 F938	E899-K902 VanDerWaalsContact O-CD 3.23Å; E899-K902 WeakPolarHBondContact O-CD 3.4Å; E899-K902 WeakPolarHBondContact O-CE 3.26Å; E899-K902 WeakPolarHBondContact O-CG 3.24Å; E899-K902 WeakPolarHBondContact OE1-CE 3.43Å; E899-K902 IonicContact OE1-NZ 3.36Å; E899-K902 PolarHBondContact OE1-NZ 2.85Å; K900-K902 VanDerWaalsContact C-N 3.33Å; K900-K902 PolarHBondContact O-N 2.9Å; K902-F938 HydrophobicContact CD-CE2 4.3Å; K902-F938 HydrophobicContact CD-CZ 3.99Å; K902-F938 HydrophobicContact CG-CZ 3.77Å
903	D	59.1	Low	70.6	Confident	131 Å²	131	63.4 Å²	63.4	70%	0.701	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	13.2	-173	-49.5	-37.4	0	0	0	112.7	N901	N901-D903 PolarHBondContact O-N 2.91Å
904	H	67.8	Low	70.2	Confident	114 Å²	114	63.7 Å²	63.7	53%	0.528	32%	0.316	S	S	.	.			trans	-131.8	80.7	-175	-71.9	-22.8	0	0	0	112.9	N901 N906 I907 M908	N901-H904 PolarHBondContact O-N 3.42Å; N901-H904 VanDerWaalsContact O-N 3.16Å; H904-N906 VanDerWaalsContact C-N 3.33Å; H904-N906 PolarHBondContact O-N 3.48Å; H904-N906 VanDerWaalsContact O-N 3.08Å; H904-I907 HydrophobicContact CB-CB 4.32Å; H904-I907 HydrophobicContact CB-CD1 4.32Å; H904-I907 PolarHBondContact O-N 3.26Å; H904-M908 WeakPolarHBondContact O-CB 3.33Å; H904-M908 PolarHBondContact O-N 3.38Å
905	D	62.1	Low	70	Confident	87 Å²	87	63.7 Å²	63.7	47%	0.465	32%	0.316	S	S	.	.	H	α-helix	trans	-41	-48.4	-173.7	-53.5	-16.8	0	0	0	115.5	S909	D905-S909 WeakPolarHBondContact O-CB 3.44Å; D905-S909 PolarHBondContact O-N 2.92Å
906	N	62.7	Low	69.7	Low	137 Å²	137	63.5 Å²	63.5	73%	0.733	32%	0.316	S	S	*	.	H	α-helix	trans	-67	-44.4	-177.7	-75.2	-18.5	0	0	0	112.5	H904 S909 E910	H904-N906 VanDerWaalsContact C-N 3.33Å; H904-N906 PolarHBondContact O-N 3.48Å; H904-N906 VanDerWaalsContact O-N 3.08Å; N906-S909 PolarHBondContact O-N 3.48Å; N906-E910 PolarHBondContact O-N 2.99Å; N906-E910 VanDerWaalsContact O-N 3.14Å
907	I	65.4	Low	69.3	Low	71 Å²	71	63.3 Å²	63.3	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-71.5	-39.5	-179.4	-64.3	169.4	0	0	0	109.5	N901 H904 S909 E910 W911	N901-I907 HydrophobicContact CB-CG2 3.95Å; H904-I907 HydrophobicContact CB-CB 4.32Å; H904-I907 HydrophobicContact CB-CD1 4.32Å; H904-I907 PolarHBondContact O-N 3.26Å; I907-S909 VanDerWaalsContact C-N 3.32Å; I907-S909 PolarHBondContact O-N 3.27Å; I907-E910 PolarHBondContact O-N 2.85Å; I907-W911 PolarHBondContact O-N 2.87Å
908	M	68.1	Low	69.1	Low	18 Å²	18	61.7 Å²	61.7	9%	0.089	31%	0.307	C	S	.	.	H	α-helix	trans	-60.4	-40.7	174.3	-166.1	-76.2	-60.6	0	0	111.3	L898 H904 W911 L912 M956	L898-M908 HydrophobicContact CD2-CG 4.39Å; L898-M908 HydrophobicContact CD2-SD 4.3Å; H904-M908 WeakPolarHBondContact O-CB 3.33Å; H904-M908 PolarHBondContact O-N 3.38Å; M908-W911 PolarHBondContact O-N 3Å; M908-L912 HydrophobicContact CE-CD1 3.92Å; M908-L912 WeakPolarHBondContact O-CB 3.4Å; M908-L912 WeakPolarHBondContact O-CG 3.37Å; M908-L912 PolarHBondContact O-N 3.45Å; M908-L912 HydrophobicContact SD-CD1 3.38Å; M908-L912 WeakPolarHBondContact SD-CD1 3.29Å; M908-L912 HydrophobicContact SD-CG 3.73Å; M908-M956 HydrophobicContact CE-CE 3.82Å; M908-M956 HydrophobicContact CE-SD 4.22Å
909	S	65.8	Low	68.9	Low	51 Å²	51	61.9 Å²	61.9	36%	0.357	31%	0.308	S	S	.	.	H	α-helix	trans	-63.1	-41.9	173.2	-168.6	0	0	0	0	113.3	D905 N906 I907 W911 L912 D913	D905-S909 WeakPolarHBondContact O-CB 3.44Å; D905-S909 PolarHBondContact O-N 2.92Å; N906-S909 PolarHBondContact O-N 3.48Å; I907-S909 VanDerWaalsContact C-N 3.32Å; I907-S909 PolarHBondContact O-N 3.27Å; S909-W911 PolarHBondContact O-N 2.91Å; S909-L912 WeakPolarHBondContact O-CB 3.34Å; S909-L912 PolarHBondContact O-N 3.38Å; S909-D913 PolarHBondContact O-N 3.19Å
910	E	70.2	Confident	68.6	Low	111 Å²	111	61.3 Å²	61.3	52%	0.519	31%	0.313	S	S	.	.	H	α-helix	trans	-63.6	-41.3	175.4	-72.5	-173.7	-173.8	0	0	112.7	R875 N906 I907 D913 E914	R875-E910 IonicContact NH2-OE2 2.79Å; N906-E910 PolarHBondContact O-N 2.99Å; N906-E910 VanDerWaalsContact O-N 3.14Å; I907-E910 PolarHBondContact O-N 2.85Å; E910-D913 PolarHBondContact O-N 3.05Å; E910-E914 PolarHBondContact O-N 3.22Å
911	W	74.4	Confident	68.2	Low	11 Å²	11	60.1 Å²	60.1	4%	0.042	31%	0.305	C	S	.	.	H	α-helix	trans	-72.7	-29.9	176.1	-73	111.4	0	0	0	112.8	V874 R875 I878 L894 Q897 L898 I907 M908 S909 T915	V874-W911 HydrophobicContact CB-CH2 4.13Å; V874-W911 HydrophobicContact CG1-CH2 4.01Å; R875-W911 HydrophobicContact CG-CH2 3.54Å; R875-W911 HydrophobicContact CG-CZ2 4.42Å; R875-W911 HydrophobicContact CG-CZ3 3.92Å; I878-W911 HydrophobicContact CD1-CZ3 3.99Å; L894-W911 HydrophobicContact CD2-CE3 4Å; L894-W911 HydrophobicContact CD2-CZ3 4.12Å; Q897-W911 HydrophobicContact CB-CD2 3.97Å; Q897-W911 HydrophobicContact CB-CE3 4.2Å; Q897-W911 HydrophobicContact CB-CG 4.36Å; Q897-W911 HydrophobicContact CB-CZ2 4.39Å; Q897-W911 HydrophobicContact CG-CH2 4.29Å; Q897-W911 HydrophobicContact CG-CZ2 4.28Å; Q897-W911 HydrophobicContact CG-CZ3 4.48Å; L898-W911 HydrophobicContact CD2-CB 3.78Å; L898-W911 HydrophobicContact CG-CB 4.08Å; I907-W911 PolarHBondContact O-N 2.87Å; M908-W911 PolarHBondContact O-N 3Å; S909-W911 PolarHBondContact O-N 2.91Å; W911-T915 VanDerWaalsContact O-CB 3.31Å; W911-T915 WeakPolarHBondContact O-CB 3.39Å; W911-T915 PolarHBondContact O-N 3.47Å; W911-T915 PolarHBondContact O-OG1 3.26Å
912	L	71.3	Confident	67.8	Low	12 Å²	12	61.2 Å²	61.2	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-48.2	168.9	-87.5	174.9	0	0	0	110.2	L898 M908 S909 E914 T915 M916 V935 V939 M963	L898-L912 HydrophobicContact CD2-CB 4.46Å; L898-L912 HydrophobicContact CD2-CD2 4.13Å; L898-L912 HydrophobicContact CD2-CG 3.85Å; M908-L912 HydrophobicContact CE-CD1 3.92Å; M908-L912 WeakPolarHBondContact O-CB 3.4Å; M908-L912 WeakPolarHBondContact O-CG 3.37Å; M908-L912 PolarHBondContact O-N 3.45Å; M908-L912 HydrophobicContact SD-CD1 3.38Å; M908-L912 WeakPolarHBondContact SD-CD1 3.29Å; M908-L912 HydrophobicContact SD-CG 3.73Å; S909-L912 WeakPolarHBondContact O-CB 3.34Å; S909-L912 PolarHBondContact O-N 3.38Å; L912-E914 PolarHBondContact O-N 2.93Å; L912-T915 PolarHBondContact O-N 3.46Å; L912-M916 WeakPolarHBondContact O-CB 3.48Å; L912-M916 VanDerWaalsContact O-CG 3.3Å; L912-M916 WeakPolarHBondContact O-CG 3.42Å; L912-M916 PolarHBondContact O-N 3.02Å; L912-V935 HydrophobicContact CD2-CG1 3.74Å; L912-V939 HydrophobicContact CD1-CG2 4.46Å; L912-V939 HydrophobicContact CD2-CG2 4.01Å; L912-M963 HydrophobicContact CD2-CE 4.17Å
913	D	69.8	Low	67.4	Low	80 Å²	80	63.4 Å²	63.4	43%	0.428	33%	0.333	S	S	.	.	H	α-helix	trans	-61.1	-43.9	178.2	-103.6	12.5	0	0	0	112.4	S909 E910 M916 K917	S909-D913 PolarHBondContact O-N 3.19Å; E910-D913 PolarHBondContact O-N 3.05Å; D913-M916 PolarHBondContact O-N 3.43Å; D913-K917 WeakPolarHBondContact O-CB 3.38Å; D913-K917 WeakPolarHBondContact O-CD 3.37Å; D913-K917 WeakPolarHBondContact O-CG 3.47Å; D913-K917 PolarHBondContact O-N 3.5Å
914	E	71.3	Confident	67.3	Low	55 Å²	55	59.3 Å²	59.3	26%	0.257	32%	0.315	S	S	.	.	H	α-helix	trans	-67.9	-33.5	174.3	-75	-53.3	130.8	0	0	112.9	E910 L912 K917 F918	E910-E914 PolarHBondContact O-N 3.22Å; L912-E914 PolarHBondContact O-N 2.93Å; E914-K917 PolarHBondContact O-N 2.66Å; E914-K917 VanDerWaalsContact OE1-CD 3.24Å; E914-K917 WeakPolarHBondContact OE1-CD 3.38Å; E914-K917 WeakPolarHBondContact OE1-CE 3.33Å; E914-K917 IonicContact OE1-NZ 3.73Å; E914-K917 PolarHBondContact OE1-NZ 3.37Å; E914-F918 WeakPolarHBondContact O-CB 3.39Å; E914-F918 PolarHBondContact O-N 2.69Å
915	T	72.4	Confident	66.8	Low	4 Å²	4	60.1 Å²	60.1	3%	0.025	32%	0.317	C	S	.	.	H	α-helix	trans	-68	-39.1	174	-55.7	0	0	0	0	111.5	F891 L898 W911 L912 F918 C919 V935	F891-T915 HydrophobicContact CE2-CG2 4.17Å; L898-T915 HydrophobicContact CD1-CG2 4.27Å; W911-T915 VanDerWaalsContact O-CB 3.31Å; W911-T915 WeakPolarHBondContact O-CB 3.39Å; W911-T915 PolarHBondContact O-N 3.47Å; W911-T915 PolarHBondContact O-OG1 3.26Å; L912-T915 PolarHBondContact O-N 3.46Å; T915-F918 WeakPolarHBondContact O-CB 3.42Å; T915-F918 PolarHBondContact O-N 2.74Å; T915-C919 PolarHBondContact O-N 3.05Å; T915-C919 PolarHBondContact O-SG 3.37Å; T915-C919 VanDerWaalsContact O-SG 3.36Å; T915-V935 HydrophobicContact CG2-CG2 4.22Å
916	M	68.8	Low	66.5	Low	27 Å²	27	61.9 Å²	61.9	13%	0.133	33%	0.326	C	S	.	.	H	α-helix	trans	-66.1	-39.9	173.2	-73	-63.7	-75.4	0	0	111.7	L912 D913 C919 S920 M963 Q966	L912-M916 WeakPolarHBondContact O-CB 3.48Å; L912-M916 VanDerWaalsContact O-CG 3.3Å; L912-M916 WeakPolarHBondContact O-CG 3.42Å; L912-M916 PolarHBondContact O-N 3.02Å; D913-M916 PolarHBondContact O-N 3.43Å; M916-C919 PolarHBondContact O-N 3.28Å; M916-S920 WeakPolarHBondContact O-CB 3.38Å; M916-S920 PolarHBondContact O-N 3.19Å; M916-S920 PolarHBondContact O-OG 2.95Å; M916-M963 HydrophobicContact CE-CB 3.94Å; M916-M963 HydrophobicContact CE-CG 3.95Å; M916-M963 HydrophobicContact CG-CE 4.44Å; M916-M963 HydrophobicContact SD-CB 4.35Å; M916-M963 HydrophobicContact SD-CE 3.87Å; M916-M963 HydrophobicContact SD-CG 3.85Å; M916-M963 HydrophobicContact SD-SD 4.46Å; M916-Q966 HydrophobicContact CE-CB 4.37Å; M916-Q966 HydrophobicContact CE-CG 4.36Å
917	K	72.1	Confident	66.4	Low	76 Å²	76	60.1 Å²	60.1	33%	0.33	31%	0.313	S	S	.	.	H	α-helix	trans	-66.7	-35.6	172.4	-69.3	165.6	-150.6	165	0	112.3	D913 E914 S920 R921	D913-K917 WeakPolarHBondContact O-CB 3.38Å; D913-K917 WeakPolarHBondContact O-CD 3.37Å; D913-K917 WeakPolarHBondContact O-CG 3.47Å; D913-K917 PolarHBondContact O-N 3.5Å; E914-K917 PolarHBondContact O-N 2.66Å; E914-K917 VanDerWaalsContact OE1-CD 3.24Å; E914-K917 WeakPolarHBondContact OE1-CD 3.38Å; E914-K917 WeakPolarHBondContact OE1-CE 3.33Å; E914-K917 IonicContact OE1-NZ 3.73Å; E914-K917 PolarHBondContact OE1-NZ 3.37Å; K917-S920 WeakPolarHBondContact CA-OG 3.28Å; K917-S920 PolarHBondContact O-OG 2.85Å; K917-R921 WeakPolarHBondContact O-CD 3.39Å; K917-R921 WeakPolarHBondContact O-CG 3.4Å; K917-R921 PolarHBondContact O-N 2.82Å; K917-R921 PolarHBondContact O-NE 3.41Å
918	F	74.3	Confident	66.1	Low	2 Å²	2	57 Å²	57	1%	0.009	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-53.9	172.2	174.4	-88.4	0	0	0	110.5	E882 L887 A890 F891 L894 E914 T915 S920 R921	E882-F918 HydrophobicContact CG-CD2 3.85Å; E882-F918 HydrophobicContact CG-CE2 3.71Å; E882-F918 WeakPolarHBondContact OE1-CD2 3.4Å; L887-F918 HydrophobicContact CB-CZ 4.4Å; L887-F918 HydrophobicContact CD2-CE2 4.48Å; L887-F918 HydrophobicContact CD2-CZ 4.26Å; A890-F918 HydrophobicContact CB-CE2 3.68Å; A890-F918 HydrophobicContact CB-CZ 4.07Å; F891-F918 HydrophobicContact CB-CE1 4.01Å; F891-F918 HydrophobicContact CB-CZ 4.27Å; F891-F918 HydrophobicContact CD2-CD1 4.39Å; F891-F918 HydrophobicContact CD2-CE1 4.19Å; L894-F918 HydrophobicContact CD1-CB 3.66Å; L894-F918 HydrophobicContact CD1-CD1 4.08Å; L894-F918 HydrophobicContact CD1-CD2 3.71Å; L894-F918 HydrophobicContact CD1-CE2 4.38Å; L894-F918 HydrophobicContact CD1-CG 3.55Å; E914-F918 WeakPolarHBondContact O-CB 3.39Å; E914-F918 PolarHBondContact O-N 2.69Å; T915-F918 WeakPolarHBondContact O-CB 3.42Å; T915-F918 PolarHBondContact O-N 2.74Å; F918-S920 PolarHBondContact O-N 3.23Å; F918-R921 PolarHBondContact O-N 3.07Å
919	C	69.1	Low	65.9	Low	5 Å²	5	56.3 Å²	56.3	3%	0.034	30%	0.295	C	S	.	.	H	α-helix	trans	-65.5	-36.5	-176.4	-68	0	0	0	0	113.1	T915 M916 R921 Q922 M932	T915-C919 PolarHBondContact O-N 3.05Å; T915-C919 PolarHBondContact O-SG 3.37Å; T915-C919 VanDerWaalsContact O-SG 3.36Å; M916-C919 PolarHBondContact O-N 3.28Å; C919-R921 VanDerWaalsContact C-N 3.33Å; C919-R921 PolarHBondContact O-N 3.38Å; C919-Q922 PolarHBondContact O-N 3.46Å; C919-M932 HydrophobicContact CB-CE 3.51Å; C919-M932 HydrophobicContact CB-CG 4.09Å
920	S	65.2	Low	65.9	Low	68 Å²	68	57 Å²	57	48%	0.476	30%	0.295	S	S	.	.	H	α-helix	trans	-74.1	-16.9	178.8	55	0	0	0	0	114.8	M916 K917 F918 Q922	M916-S920 WeakPolarHBondContact O-CB 3.38Å; M916-S920 PolarHBondContact O-N 3.19Å; M916-S920 PolarHBondContact O-OG 2.95Å; K917-S920 WeakPolarHBondContact CA-OG 3.28Å; K917-S920 PolarHBondContact O-OG 2.85Å; F918-S920 PolarHBondContact O-N 3.23Å; S920-Q922 VanDerWaalsContact C-N 3.31Å
921	R	68.3	Low	65.9	Low	105 Å²	105	53.1 Å²	53.1	40%	0.396	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-13	172.9	-71.5	162.9	-168.2	144.2	6.4	113.2	R879 E882 K917 F918 C919	R879-R921 VanDerWaalsContact NH2-CZ 3.28Å; R879-R921 VanDerWaalsContact NH2-NH2 3.18Å; E882-R921 IonicContact OE1-NH1 3.11Å; E882-R921 PolarHBondContact OE1-NH1 3.01Å; K917-R921 WeakPolarHBondContact O-CD 3.39Å; K917-R921 WeakPolarHBondContact O-CG 3.4Å; K917-R921 PolarHBondContact O-N 2.82Å; K917-R921 PolarHBondContact O-NE 3.41Å; F918-R921 PolarHBondContact O-N 3.07Å; C919-R921 VanDerWaalsContact C-N 3.33Å; C919-R921 PolarHBondContact O-N 3.38Å
922	Q	64.7	Low	65.5	Low	50 Å²	50	52.9 Å²	52.9	23%	0.234	27%	0.274	C	S	.	.			trans	-97.4	140.6	-174.3	-57.3	-59	-24.4	0	0	112	C919 S920 T928	C919-Q922 PolarHBondContact O-N 3.46Å; S920-Q922 VanDerWaalsContact C-N 3.31Å; Q922-T928 HydrophobicContact CB-CG2 3.76Å
923	S	52.2	Low	65.4	Low	116 Å²	116	52.7 Å²	52.7	81%	0.811	27%	0.273	S	S	*	.			trans	-94.8	-7.4	-174.3	56.2	0	0	0	0	114.9	K925	S923-K925 PolarHBondContact O-N 2.9Å
924	S	57.5	Low	65.4	Low	45 Å²	45	55.7 Å²	55.7	32%	0.315	28%	0.279	S	S	.	.			trans	-83.8	74.8	-175.7	50.9	0	0	0	0	113	N926 E927 T928	S924-N926 PolarHBondContact O-N 2.91Å; S924-E927 PolarHBondContact O-N 3.17Å; S924-E927 VanDerWaalsContact O-N 3.1Å; S924-T928 PolarHBondContact O-N 3.03Å; S924-T928 VanDerWaalsContact O-N 3.17Å; S924-T928 PolarHBondContact O-OG1 2.93Å
925	K	56.7	Low	65.3	Low	132 Å²	132	53.3 Å²	53.3	57%	0.574	27%	0.268	S	S	*	.	H	α-helix	trans	-36.4	-40.1	-174	-66.8	-169.2	174.9	-163.3	0	117.4	S923 T928 S929	S923-K925 PolarHBondContact O-N 2.9Å; K925-T928 VanDerWaalsContact C-OG1 3.3Å; K925-T928 WeakPolarHBondContact CA-OG1 3.14Å; K925-T928 PolarHBondContact O-OG1 3.4Å; K925-S929 PolarHBondContact O-N 3.45Å; K925-S929 PolarHBondContact O-OG 2.98Å
926	N	56.6	Low	65.1	Low	124 Å²	124	53.5 Å²	53.5	66%	0.663	27%	0.268	S	S	*	.	H	α-helix	trans	-76.9	-50.8	-176.8	-67.9	-2.5	0	0	0	112.2	S924 T928 S929 D930	S924-N926 PolarHBondContact O-N 2.91Å; N926-T928 VanDerWaalsContact C-N 3.31Å; N926-T928 PolarHBondContact O-N 3.45Å; N926-S929 PolarHBondContact O-N 3.35Å; N926-S929 PolarHBondContact O-OG 2.64Å; N926-D930 PolarHBondContact O-N 3.04Å; N926-D930 VanDerWaalsContact O-N 3.1Å
927	E	59.8	Low	65	Low	99 Å²	99	56.1 Å²	56.1	46%	0.463	28%	0.28	S	S	.	.	H	α-helix	trans	-66.6	-33.3	179.3	-70.9	179.6	-157.3	0	0	112.5	S924 S929 D930 R931	S924-E927 PolarHBondContact O-N 3.17Å; S924-E927 VanDerWaalsContact O-N 3.1Å; E927-S929 VanDerWaalsContact C-N 3.33Å; E927-D930 PolarHBondContact O-N 3.2Å; E927-R931 WeakPolarHBondContact O-CB 3.45Å; E927-R931 WeakPolarHBondContact O-CG 3.39Å; E927-R931 PolarHBondContact O-N 3.46Å; E927-R931 IonicContact OE2-CZ 2.63Å; E927-R931 IonicContact OE2-NH1 3.66Å; E927-R931 IonicContact OE2-NH2 3.9Å; E927-R931 PolarHBondContact OE2-NH2 2.81Å
928	T	60.6	Low	64.8	Low	5 Å²	5	54.6 Å²	54.6	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-40.2	173.9	51.8	0	0	0	0	111.5	Q922 S924 K925 N926 R931 M932	Q922-T928 HydrophobicContact CB-CG2 3.76Å; S924-T928 PolarHBondContact O-N 3.03Å; S924-T928 VanDerWaalsContact O-N 3.17Å; S924-T928 PolarHBondContact O-OG1 2.93Å; K925-T928 VanDerWaalsContact C-OG1 3.3Å; K925-T928 WeakPolarHBondContact CA-OG1 3.14Å; K925-T928 PolarHBondContact O-OG1 3.4Å; N926-T928 VanDerWaalsContact C-N 3.31Å; N926-T928 PolarHBondContact O-N 3.45Å; T928-R931 PolarHBondContact O-N 2.9Å; T928-M932 VanDerWaalsContact O-CB 3.32Å; T928-M932 WeakPolarHBondContact O-CB 3.27Å; T928-M932 VanDerWaalsContact O-CG 3.25Å; T928-M932 WeakPolarHBondContact O-CG 3.31Å; T928-M932 PolarHBondContact O-N 3.47Å
929	S	62.6	Low	64.4	Low	4 Å²	4	54.9 Å²	54.9	3%	0.028	28%	0.276	C	S	.	.	H	α-helix	trans	-69.3	-38.3	177	64.2	0	0	0	0	112.6	K925 N926 E927 M932 M933	K925-S929 PolarHBondContact O-N 3.45Å; K925-S929 PolarHBondContact O-OG 2.98Å; N926-S929 PolarHBondContact O-N 3.35Å; N926-S929 PolarHBondContact O-OG 2.64Å; E927-S929 VanDerWaalsContact C-N 3.33Å; S929-M932 PolarHBondContact O-N 3.1Å; S929-M933 WeakPolarHBondContact O-CB 3.1Å; S929-M933 VanDerWaalsContact O-CG 3.26Å; S929-M933 WeakPolarHBondContact O-CG 3.41Å; S929-M933 PolarHBondContact O-N 2.71Å
930	D	66.4	Low	64.1	Low	67 Å²	67	55.8 Å²	55.8	36%	0.358	28%	0.282	S	S	.	.	H	α-helix	trans	-64.2	-42.1	174.3	-71.1	-25.2	0	0	0	111.7	N926 E927 R934 K973 Y974	N926-D930 PolarHBondContact O-N 3.04Å; N926-D930 VanDerWaalsContact O-N 3.1Å; E927-D930 PolarHBondContact O-N 3.2Å; D930-R934 PolarHBondContact O-N 3.3Å; D930-K973 IonicContact OD1-NZ 3.82Å; D930-K973 PolarHBondContact OD1-NZ 2.92Å; D930-Y974 WeakPolarHBondContact OD1-CE2 3.44Å; D930-Y974 VanDerWaalsContact OD1-CZ 3.25Å; D930-Y974 PolarHBondContact OD1-OH 3.17Å
931	R	70.8	Confident	64	Low	29 Å²	29	58 Å²	58	11%	0.109	29%	0.285	C	S	.	.	H	α-helix	trans	-66.7	-45.2	175.2	-72.2	178.7	-167.7	129.9	15.9	112.4	F891 E927 T928 R934 V935	F891-R931 HydrophobicContact CD1-CG 4.23Å; F891-R931 HydrophobicContact CD2-CB 4.26Å; F891-R931 HydrophobicContact CD2-CG 4.32Å; F891-R931 HydrophobicContact CE1-CB 4.3Å; F891-R931 HydrophobicContact CE1-CG 4.11Å; F891-R931 HydrophobicContact CE2-CB 3.76Å; F891-R931 HydrophobicContact CE2-CG 4.21Å; F891-R931 HydrophobicContact CG-CG 4.33Å; F891-R931 HydrophobicContact CZ-CB 3.78Å; F891-R931 HydrophobicContact CZ-CG 4.1Å; E927-R931 WeakPolarHBondContact O-CB 3.45Å; E927-R931 WeakPolarHBondContact O-CG 3.39Å; E927-R931 PolarHBondContact O-N 3.46Å; E927-R931 IonicContact OE2-CZ 2.63Å; E927-R931 IonicContact OE2-NH1 3.66Å; E927-R931 IonicContact OE2-NH2 3.9Å; E927-R931 PolarHBondContact OE2-NH2 2.81Å; T928-R931 PolarHBondContact O-N 2.9Å; R931-R934 WeakPolarHBondContact O-CB 3.43Å; R931-R934 PolarHBondContact O-N 2.99Å; R931-V935 PolarHBondContact O-N 2.71Å
932	M	65.9	Low	63.7	Low	5 Å²	5	57 Å²	57	3%	0.025	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-40.8	176	-75.1	179	171.8	0	0	112	C919 T928 S929 R934 V935 F936 Q966 I967	C919-M932 HydrophobicContact CB-CE 3.51Å; C919-M932 HydrophobicContact CB-CG 4.09Å; T928-M932 VanDerWaalsContact O-CB 3.32Å; T928-M932 WeakPolarHBondContact O-CB 3.27Å; T928-M932 VanDerWaalsContact O-CG 3.25Å; T928-M932 WeakPolarHBondContact O-CG 3.31Å; T928-M932 PolarHBondContact O-N 3.47Å; S929-M932 PolarHBondContact O-N 3.1Å; M932-R934 VanDerWaalsContact C-N 3.29Å; M932-R934 PolarHBondContact O-N 3.4Å; M932-V935 PolarHBondContact O-N 3.45Å; M932-F936 WeakPolarHBondContact O-CB 3.24Å; M932-F936 PolarHBondContact O-N 3.27Å; M932-Q966 HydrophobicContact CE-CB 4.21Å; M932-Q966 HydrophobicContact SD-CB 4.4Å; M932-I967 HydrophobicContact CB-CD1 4.07Å; M932-I967 HydrophobicContact CB-CG1 3.72Å; M932-I967 HydrophobicContact CG-CG1 4.45Å; M932-I967 HydrophobicContact SD-CG1 3.92Å
933	M	67.8	Low	63.3	Low	8 Å²	8	55.9 Å²	55.9	4%	0.039	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-34.7	175.9	-78.6	-61.2	-60.2	0	0	112.7	S929 F936 Q937 I967 Y974 L978	S929-M933 WeakPolarHBondContact O-CB 3.1Å; S929-M933 VanDerWaalsContact O-CG 3.26Å; S929-M933 WeakPolarHBondContact O-CG 3.41Å; S929-M933 PolarHBondContact O-N 2.71Å; M933-F936 PolarHBondContact O-N 3.12Å; M933-Q937 WeakPolarHBondContact O-CB 3.21Å; M933-Q937 VanDerWaalsContact O-CG 3.29Å; M933-Q937 WeakPolarHBondContact O-CG 3.38Å; M933-Q937 PolarHBondContact O-N 2.95Å; M933-I967 HydrophobicContact CG-CG2 4.49Å; M933-I967 HydrophobicContact SD-CD1 4.07Å; M933-I967 HydrophobicContact SD-CG2 4.24Å; M933-Y974 HydrophobicContact CE-CD1 4.35Å; M933-Y974 HydrophobicContact CE-CG 4.18Å; M933-Y974 HydrophobicContact CG-CD1 4.41Å; M933-Y974 HydrophobicContact CG-CD2 3.52Å; M933-Y974 HydrophobicContact CG-CE2 4Å; M933-Y974 HydrophobicContact CG-CG 3.74Å; M933-Y974 HydrophobicContact SD-CD2 4.4Å; M933-Y974 HydrophobicContact SD-CG 4.12Å; M933-L978 HydrophobicContact SD-CD1 4.08Å; M933-L978 HydrophobicContact SD-CD2 4.34Å; M933-L978 HydrophobicContact SD-CG 4.08Å
934	R	70.4	Confident	63.3	Low	144 Å²	144	54.4 Å²	54.4	54%	0.543	27%	0.272	S	S	.	.	H	α-helix	trans	-66.5	-37.1	176.4	-159.2	176.5	-170	-172.5	-0.7	112.2	D930 R931 M932 F938	D930-R934 PolarHBondContact O-N 3.3Å; R931-R934 WeakPolarHBondContact O-CB 3.43Å; R931-R934 PolarHBondContact O-N 2.99Å; M932-R934 VanDerWaalsContact C-N 3.29Å; M932-R934 PolarHBondContact O-N 3.4Å; R934-F938 PolarHBondContact O-N 3.47Å
935	V	68.9	Low	63.1	Low	4 Å²	4	58.8 Å²	58.8	2%	0.024	29%	0.287	C	S	.	.	H	α-helix	trans	-71.3	-44	171.9	179.8	0	0	0	0	110.8	F891 F895 L912 T915 R931 M932 Q937 F938 V939 M963	F891-V935 HydrophobicContact CE2-CG2 4.17Å; F891-V935 HydrophobicContact CZ-CG2 3.98Å; F895-V935 HydrophobicContact CD2-CG2 4.22Å; F895-V935 HydrophobicContact CE2-CG2 4.37Å; L912-V935 HydrophobicContact CD2-CG1 3.74Å; T915-V935 HydrophobicContact CG2-CG2 4.22Å; R931-V935 PolarHBondContact O-N 2.71Å; M932-V935 PolarHBondContact O-N 3.45Å; V935-Q937 PolarHBondContact O-N 3.35Å; V935-F938 PolarHBondContact O-N 3.22Å; V935-V939 HydrophobicContact CG1-CG2 4.38Å; V935-V939 WeakPolarHBondContact O-CG2 3.25Å; V935-V939 PolarHBondContact O-N 3Å; V935-M963 HydrophobicContact CG1-CE 4.01Å; V935-M963 HydrophobicContact CG1-SD 4.47Å
936	F	67.6	Low	62.9	Low	8 Å²	8	58.8 Å²	58.8	4%	0.035	29%	0.288	C	S	.	.	H	α-helix	trans	-59.3	-48.2	179	-174.5	-97.3	0	0	0	112	M932 M933 F938 V939 S940 L960 M963 C964 I967 L978	M932-F936 WeakPolarHBondContact O-CB 3.24Å; M932-F936 PolarHBondContact O-N 3.27Å; M933-F936 PolarHBondContact O-N 3.12Å; F936-F938 VanDerWaalsContact C-N 3.34Å; F936-F938 PolarHBondContact O-N 3.47Å; F936-V939 PolarHBondContact O-N 2.85Å; F936-S940 WeakPolarHBondContact CE1-OG 3.42Å; F936-S940 WeakPolarHBondContact CZ-OG 3.38Å; F936-S940 WeakPolarHBondContact O-CB 3.44Å; F936-S940 PolarHBondContact O-N 3.27Å; F936-S940 PolarHBondContact O-OG 2.86Å; F936-S940 VanDerWaalsContact O-OG 3.09Å; F936-L960 HydrophobicContact CD2-CD2 3.75Å; F936-L960 HydrophobicContact CE2-CB 4.46Å; F936-L960 HydrophobicContact CE2-CD2 3.73Å; F936-M963 HydrophobicContact CB-SD 3.78Å; F936-M963 HydrophobicContact CD2-CG 4.4Å; F936-M963 HydrophobicContact CD2-SD 3.88Å; F936-M963 HydrophobicContact CG-SD 4.34Å; F936-C964 WeakPolarHBondContact CE2-SG 3.49Å; F936-I967 HydrophobicContact CB-CD1 4.29Å; F936-I967 HydrophobicContact CG-CD1 4.46Å; F936-L978 HydrophobicContact CD1-CD2 3.98Å; F936-L978 HydrophobicContact CD2-CD2 4.46Å; F936-L978 HydrophobicContact CE1-CD2 3.58Å; F936-L978 HydrophobicContact CE2-CD2 4.1Å; F936-L978 HydrophobicContact CG-CD2 4.41Å; F936-L978 HydrophobicContact CZ-CD2 3.65Å
937	Q	66.8	Low	62.6	Low	83 Å²	83	61.9 Å²	61.9	39%	0.388	30%	0.298	S	S	.	.	H	α-helix	trans	-56.5	-47.2	176.6	-76.2	172.1	-9.4	0	0	111.8	M933 V935 V939 S940 E941	M933-Q937 WeakPolarHBondContact O-CB 3.21Å; M933-Q937 VanDerWaalsContact O-CG 3.29Å; M933-Q937 WeakPolarHBondContact O-CG 3.38Å; M933-Q937 PolarHBondContact O-N 2.95Å; V935-Q937 PolarHBondContact O-N 3.35Å; Q937-V939 PolarHBondContact O-N 3.14Å; Q937-S940 PolarHBondContact O-N 3.09Å; Q937-E941 WeakPolarHBondContact O-CB 3.27Å; Q937-E941 WeakPolarHBondContact O-CG 3.37Å; Q937-E941 PolarHBondContact O-N 3.4Å
938	F	69.4	Low	62.1	Low	44 Å²	44	66.2 Å²	66.2	19%	0.193	32%	0.319	C	S	.	.	H	α-helix	trans	-61.1	-41	178.9	174.5	-101.9	0	0	0	113.2	F895 K902 R934 V935 F936	F895-F938 HydrophobicContact CZ-CG 4.48Å; K902-F938 HydrophobicContact CD-CE2 4.3Å; K902-F938 HydrophobicContact CD-CZ 3.99Å; K902-F938 HydrophobicContact CG-CZ 3.77Å; R934-F938 PolarHBondContact O-N 3.47Å; V935-F938 PolarHBondContact O-N 3.22Å; F936-F938 VanDerWaalsContact C-N 3.34Å; F936-F938 PolarHBondContact O-N 3.47Å
939	V	65.4	Low	61.8	Low	8 Å²	8	70.1 Å²	70.1	5%	0.048	34%	0.339	C	S	.	.	H	α-helix	trans	-75.7	-42.5	178	-178.7	0	0	0	0	111.6	L912 V935 F936 Q937 E941 R942 V943 M956 L960	L912-V939 HydrophobicContact CD1-CG2 4.46Å; L912-V939 HydrophobicContact CD2-CG2 4.01Å; V935-V939 HydrophobicContact CG1-CG2 4.38Å; V935-V939 WeakPolarHBondContact O-CG2 3.25Å; V935-V939 PolarHBondContact O-N 3Å; F936-V939 PolarHBondContact O-N 2.85Å; Q937-V939 PolarHBondContact O-N 3.14Å; V939-E941 PolarHBondContact O-N 3.45Å; V939-R942 WeakPolarHBondContact O-CB 3.26Å; V939-R942 PolarHBondContact O-N 3.38Å; V939-R942 VanDerWaalsContact O-N 3.15Å; V939-V943 HydrophobicContact CG1-CG2 4.46Å; V939-V943 PolarHBondContact O-N 3.03Å; V939-V943 VanDerWaalsContact O-N 3.08Å; V939-M956 HydrophobicContact CG1-CE 3.64Å; V939-L960 HydrophobicContact CB-CD2 4.08Å; V939-L960 HydrophobicContact CG1-CD1 4.27Å; V939-L960 HydrophobicContact CG1-CD2 3.76Å; V939-L960 HydrophobicContact CG1-CG 4.19Å
940	S	62	Low	61.5	Low	23 Å²	23	73.8 Å²	73.8	16%	0.161	37%	0.365	C	S	.	.	H	α-helix	trans	-66.5	-34.2	-179.5	-64.5	0	0	0	0	113.4	F936 Q937 R942	F936-S940 WeakPolarHBondContact CE1-OG 3.42Å; F936-S940 WeakPolarHBondContact CZ-OG 3.38Å; F936-S940 WeakPolarHBondContact O-CB 3.44Å; F936-S940 PolarHBondContact O-N 3.27Å; F936-S940 PolarHBondContact O-OG 2.86Å; F936-S940 VanDerWaalsContact O-OG 3.09Å; Q937-S940 PolarHBondContact O-N 3.09Å; S940-R942 PolarHBondContact O-N 3.04Å
941	E	63.3	Low	61	Low	115 Å²	115	78.6 Å²	78.6	54%	0.537	39%	0.385	S	S	.	.	H	α-helix	trans	-65.9	-28.8	174.3	-76	170.9	-171.9	0	0	112.1	Q937 V939 K981	Q937-E941 WeakPolarHBondContact O-CB 3.27Å; Q937-E941 WeakPolarHBondContact O-CG 3.37Å; Q937-E941 PolarHBondContact O-N 3.4Å; V939-E941 PolarHBondContact O-N 3.45Å; E941-K981 IonicContact OE1-NZ 2.78Å
942	R	61.5	Low	60.3	Low	85 Å²	85	82.6 Å²	82.6	32%	0.321	40%	0.403	S	S	.	.	H	α-helix	trans	-79.1	-38.4	175.5	-86.2	-78.3	165.3	102.8	-9	114	V939 S940 A944 E945 F946	V939-R942 WeakPolarHBondContact O-CB 3.26Å; V939-R942 PolarHBondContact O-N 3.38Å; V939-R942 VanDerWaalsContact O-N 3.15Å; S940-R942 PolarHBondContact O-N 3.04Å; R942-A944 PolarHBondContact O-N 3.13Å; R942-E945 WeakPolarHBondContact CD-OE2 3.28Å; R942-E945 IonicContact NE-OE2 3.63Å; R942-E945 PolarHBondContact NE-OE2 3.2Å; R942-E945 VanDerWaalsContact NE-OE2 3.17Å; R942-E945 PolarHBondContact O-N 2.9Å; R942-F946 WeakPolarHBondContact O-CD2 3.13Å
943	V	56.7	Low	60	Low	25 Å²	25	84.4 Å²	84.4	15%	0.152	41%	0.412	C	S	.	.	H	α-helix	trans	-62.3	-24.6	179.2	173.2	0	0	0	0	112.3	V939 E945 M956 L960	V939-V943 HydrophobicContact CG1-CG2 4.46Å; V939-V943 PolarHBondContact O-N 3.03Å; V939-V943 VanDerWaalsContact O-N 3.08Å; V943-E945 VanDerWaalsContact C-N 3.3Å; V943-E945 PolarHBondContact O-N 3.16Å; V943-M956 HydrophobicContact CG2-CE 3.91Å; V943-L960 HydrophobicContact CG2-CD1 4.01Å
944	A	53	Low	59.6	Low	85 Å²	85	89.7 Å²	89.7	70%	0.702	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-10.6	173.8	0	0	0	0	0	114.8	R942	R942-A944 PolarHBondContact O-N 3.13Å
945	E	54.1	Low	59	Low	137 Å²	137	90.2 Å²	90.2	64%	0.64	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-6.1	-177.9	-61.8	-173.5	133	0	0	113.9	R942 V943	R942-E945 WeakPolarHBondContact CD-OE2 3.28Å; R942-E945 IonicContact NE-OE2 3.63Å; R942-E945 PolarHBondContact NE-OE2 3.2Å; R942-E945 VanDerWaalsContact NE-OE2 3.17Å; R942-E945 PolarHBondContact O-N 2.9Å; V943-E945 VanDerWaalsContact C-N 3.3Å; V943-E945 PolarHBondContact O-N 3.16Å
946	F	52.5	Low	58.6	Low	132 Å²	132	92.5 Å²	92.5	58%	0.579	45%	0.452	S	S	*	.			trans	-118.7	105.5	-175.1	-67	-85.4	0	0	0	112.4	R942 Q953	R942-F946 WeakPolarHBondContact O-CD2 3.13Å; F946-Q953 PolarHBondContact O-NE2 2.93Å
947	E	49.2	Very low	58.3	Low	189 Å²	189	92.8 Å²	92.8	88%	0.883	45%	0.453	S	S	*	.			trans	-96.9	-2.3	-178.9	-74.7	-168.1	138.8	0	0	115.6
948	E	50.3	Low	58.2	Low	191 Å²	191	94.6 Å²	94.6	89%	0.893	46%	0.462	S	S	*	.	S	Bend	trans	-116.5	-3.5	-160.3	-65.2	-165.9	145.4	0	0	118.9
949	D	53.6	Low	57.8	Low	87 Å²	87	94.3 Å²	94.3	47%	0.465	47%	0.466	S	S	.	.			trans	-133.3	81	-168.1	-132.4	-4.7	0	0	0	116.2	E951 K952 Q953	D949-E951 PolarHBondContact O-N 2.99Å; D949-E951 VanDerWaalsContact O-N 3.17Å; D949-K952 HydrophobicContact CB-CD 4.38Å; D949-K952 PolarHBondContact O-N 3.33Å; D949-K952 WeakPolarHBondContact OD2-CD 3.2Å; D949-K952 VanDerWaalsContact OD2-CE 3.23Å; D949-K952 WeakPolarHBondContact OD2-CE 3.21Å; D949-K952 IonicContact OD2-NZ 2.67Å; D949-K952 PolarHBondContact OD2-NZ 3.2Å; D949-Q953 PolarHBondContact O-N 2.88Å
950	S	55.7	Low	57.7	Low	81 Å²	81	94.7 Å²	94.7	57%	0.566	47%	0.467	S	S	*	.	H	α-helix	trans	-55	-32.6	-166.7	-173.3	0	0	0	0	117.8
951	E	55.6	Low	57.9	Low	167 Å²	167	96.4 Å²	96.4	78%	0.78	47%	0.47	S	S	*	.	H	α-helix	trans	-81.5	-29	-179.4	-77.1	-164.9	146.9	0	0	113.5	D949	D949-E951 PolarHBondContact O-N 2.99Å; D949-E951 VanDerWaalsContact O-N 3.17Å
952	K	56.8	Low	57.9	Low	113 Å²	113	94.2 Å²	94.2	49%	0.491	47%	0.465	S	S	.	.	H	α-helix	trans	-77.7	-40	-179.3	-64.1	175.5	-171.8	161.9	0	111	D949 K954 K955 M956	D949-K952 HydrophobicContact CB-CD 4.38Å; D949-K952 PolarHBondContact O-N 3.33Å; D949-K952 WeakPolarHBondContact OD2-CD 3.2Å; D949-K952 VanDerWaalsContact OD2-CE 3.23Å; D949-K952 WeakPolarHBondContact OD2-CE 3.21Å; D949-K952 IonicContact OD2-NZ 2.67Å; D949-K952 PolarHBondContact OD2-NZ 3.2Å; K952-K954 VanDerWaalsContact C-N 3.27Å; K952-K954 PolarHBondContact O-N 3.03Å; K952-K955 PolarHBondContact O-N 3.15Å; K952-M956 PolarHBondContact O-N 3.32Å
953	Q	58.8	Low	58.1	Low	43 Å²	43	90.4 Å²	90.4	20%	0.201	45%	0.451	C	S	.	.	H	α-helix	trans	-52.5	-45.7	174.2	-131.4	133.8	1.8	0	0	111.3	F946 D949 K955 M956 D957	F946-Q953 PolarHBondContact O-NE2 2.93Å; D949-Q953 PolarHBondContact O-N 2.88Å; Q953-K955 PolarHBondContact O-N 3.27Å; Q953-M956 PolarHBondContact O-N 2.84Å; Q953-D957 WeakPolarHBondContact O-CB 3.42Å; Q953-D957 PolarHBondContact O-N 3.21Å
954	K	59.7	Low	58.4	Low	120 Å²	120	89.2 Å²	89.2	52%	0.522	44%	0.444	S	S	.	.	H	α-helix	trans	-58	-41.2	179.4	-72.6	175.6	-177.2	175.6	0	114.2	K952 D957 E958	K952-K954 VanDerWaalsContact C-N 3.27Å; K952-K954 PolarHBondContact O-N 3.03Å; K954-D957 PolarHBondContact O-N 2.85Å; K954-E958 WeakPolarHBondContact O-CG 3.36Å; K954-E958 PolarHBondContact O-N 2.86Å
955	K	58.8	Low	58.9	Low	155 Å²	155	90.2 Å²	90.2	67%	0.674	43%	0.429	S	S	*	.	H	α-helix	trans	-68	-42.5	177.3	-84.1	-175.7	173.1	-179.6	0	112.1	K952 Q953 D957 E958 S959	K952-K955 PolarHBondContact O-N 3.15Å; Q953-K955 PolarHBondContact O-N 3.27Å; K955-D957 VanDerWaalsContact C-N 3.33Å; K955-E958 PolarHBondContact O-N 3.39Å; K955-S959 PolarHBondContact O-N 3.26Å; K955-S959 VanDerWaalsContact O-N 3.07Å; K955-S959 PolarHBondContact O-OG 3.35Å
956	M	59.6	Low	59.4	Low	52 Å²	52	86.8 Å²	86.8	26%	0.256	41%	0.413	S	S	.	.	H	α-helix	trans	-65.6	-37.9	174.9	-71.5	-168.5	63.6	0	0	111.6	M908 V939 V943 K952 Q953 E958 S959 L960	M908-M956 HydrophobicContact CE-CE 3.82Å; M908-M956 HydrophobicContact CE-SD 4.22Å; V939-M956 HydrophobicContact CG1-CE 3.64Å; V943-M956 HydrophobicContact CG2-CE 3.91Å; K952-M956 PolarHBondContact O-N 3.32Å; Q953-M956 PolarHBondContact O-N 2.84Å; M956-E958 PolarHBondContact O-N 3.39Å; M956-S959 PolarHBondContact O-N 3.36Å; M956-L960 WeakPolarHBondContact O-CB 3.37Å; M956-L960 WeakPolarHBondContact O-CG 3.38Å; M956-L960 PolarHBondContact O-N 3.47Å
957	D	61.7	Low	59.9	Low	13 Å²	13	80.5 Å²	80.5	7%	0.07	39%	0.386	C	S	.	.	H	α-helix	trans	-67.7	-30.9	175.4	-69.4	-23.8	0	0	0	113.2	Q953 K954 K955 R961 S987	Q953-D957 WeakPolarHBondContact O-CB 3.42Å; Q953-D957 PolarHBondContact O-N 3.21Å; K954-D957 PolarHBondContact O-N 2.85Å; K955-D957 VanDerWaalsContact C-N 3.33Å; D957-R961 WeakPolarHBondContact O-CB 3.48Å; D957-R961 WeakPolarHBondContact O-CG 3.31Å; D957-R961 PolarHBondContact O-N 3.39Å; D957-R961 PolarHBondContact O-NE 3.41Å; D957-S987 WeakPolarHBondContact OD2-CB 3.48Å; D957-S987 PolarHBondContact OD2-OG 3.36Å
958	E	63.8	Low	60.5	Low	122 Å²	122	72.4 Å²	72.4	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-69.7	-41.9	171.1	-78.5	178	172.7	0	0	111.8	K954 K955 M956 R961 T962	K954-E958 WeakPolarHBondContact O-CG 3.36Å; K954-E958 PolarHBondContact O-N 2.86Å; K955-E958 PolarHBondContact O-N 3.39Å; M956-E958 PolarHBondContact O-N 3.39Å; E958-R961 PolarHBondContact O-N 2.6Å; E958-T962 PolarHBondContact O-N 3.36Å; E958-T962 PolarHBondContact O-OG1 3.5Å
959	S	61.5	Low	61	Low	38 Å²	38	67.5 Å²	67.5	27%	0.266	34%	0.335	S	S	.	.	H	α-helix	trans	-65.4	-40.5	173.7	-62.2	0	0	0	0	112.1	K955 M956 T962 M963	K955-S959 PolarHBondContact O-N 3.26Å; K955-S959 VanDerWaalsContact O-N 3.07Å; K955-S959 PolarHBondContact O-OG 3.35Å; M956-S959 PolarHBondContact O-N 3.36Å; S959-T962 WeakPolarHBondContact CA-OG1 3.36Å; S959-T962 PolarHBondContact O-N 3.03Å; S959-T962 PolarHBondContact O-OG1 3.48Å; S959-M963 WeakPolarHBondContact O-CB 3.43Å; S959-M963 PolarHBondContact O-N 2.92Å
960	L	64.6	Low	61.1	Low	16 Å²	16	65.1 Å²	65.1	8%	0.084	32%	0.324	C	S	.	.	H	α-helix	trans	-66.3	-43.1	172.8	-74.4	173.8	0	0	0	111.5	F936 V939 V943 M956 T962 M963 C964	F936-L960 HydrophobicContact CD2-CD2 3.75Å; F936-L960 HydrophobicContact CE2-CB 4.46Å; F936-L960 HydrophobicContact CE2-CD2 3.73Å; V939-L960 HydrophobicContact CB-CD2 4.08Å; V939-L960 HydrophobicContact CG1-CD1 4.27Å; V939-L960 HydrophobicContact CG1-CD2 3.76Å; V939-L960 HydrophobicContact CG1-CG 4.19Å; V943-L960 HydrophobicContact CG2-CD1 4.01Å; M956-L960 WeakPolarHBondContact O-CB 3.37Å; M956-L960 WeakPolarHBondContact O-CG 3.38Å; M956-L960 PolarHBondContact O-N 3.47Å; L960-T962 VanDerWaalsContact C-N 3.33Å; L960-T962 PolarHBondContact O-N 3.41Å; L960-M963 WeakPolarHBondContact O-CB 3.33Å; L960-M963 PolarHBondContact O-N 2.91Å; L960-M963 VanDerWaalsContact O-N 3.17Å; L960-C964 PolarHBondContact O-N 2.8Å; L960-C964 PolarHBondContact O-SG 3.23Å
961	R	64.4	Low	61.2	Low	58 Å²	58	62.2 Å²	62.2	22%	0.219	31%	0.306	C	S	.	.	H	α-helix	trans	-62.1	-37.8	175.8	-82.4	-175.3	-95.7	-160.3	-4.7	112.8	D957 E958 R965 N996 L999	D957-R961 WeakPolarHBondContact O-CB 3.48Å; D957-R961 WeakPolarHBondContact O-CG 3.31Å; D957-R961 PolarHBondContact O-N 3.39Å; D957-R961 PolarHBondContact O-NE 3.41Å; E958-R961 PolarHBondContact O-N 2.6Å; R961-R965 WeakPolarHBondContact O-CG 3.3Å; R961-R965 PolarHBondContact O-N 3.18Å; R961-N996 PolarHBondContact NH1-OD1 3.34Å; R961-L999 HydrophobicContact CB-CD1 3.75Å; R961-L999 HydrophobicContact CG-CD1 3.58Å
962	T	65.2	Low	61.2	Low	70 Å²	70	58.5 Å²	58.5	43%	0.429	30%	0.295	S	S	.	.	H	α-helix	trans	-70.9	-35.9	173.4	40.5	0	0	0	0	112.5	E958 S959 L960 R965 Q966	E958-T962 PolarHBondContact O-N 3.36Å; E958-T962 PolarHBondContact O-OG1 3.5Å; S959-T962 WeakPolarHBondContact CA-OG1 3.36Å; S959-T962 PolarHBondContact O-N 3.03Å; S959-T962 PolarHBondContact O-OG1 3.48Å; L960-T962 VanDerWaalsContact C-N 3.33Å; L960-T962 PolarHBondContact O-N 3.41Å; T962-R965 PolarHBondContact O-N 3.27Å; T962-Q966 PolarHBondContact O-N 2.87Å; T962-Q966 VanDerWaalsContact O-N 3.11Å
963	M	64.8	Low	61.3	Low	5 Å²	5	60 Å²	60	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-46.3	171.2	-165.1	-178.9	-60.3	0	0	112	L912 M916 V935 F936 S959 L960 R965 Q966 I967	L912-M963 HydrophobicContact CD2-CE 4.17Å; M916-M963 HydrophobicContact CE-CB 3.94Å; M916-M963 HydrophobicContact CE-CG 3.95Å; M916-M963 HydrophobicContact CG-CE 4.44Å; M916-M963 HydrophobicContact SD-CB 4.35Å; M916-M963 HydrophobicContact SD-CE 3.87Å; M916-M963 HydrophobicContact SD-CG 3.85Å; M916-M963 HydrophobicContact SD-SD 4.46Å; V935-M963 HydrophobicContact CG1-CE 4.01Å; V935-M963 HydrophobicContact CG1-SD 4.47Å; F936-M963 HydrophobicContact CB-SD 3.78Å; F936-M963 HydrophobicContact CD2-CG 4.4Å; F936-M963 HydrophobicContact CD2-SD 3.88Å; F936-M963 HydrophobicContact CG-SD 4.34Å; S959-M963 WeakPolarHBondContact O-CB 3.43Å; S959-M963 PolarHBondContact O-N 2.92Å; L960-M963 WeakPolarHBondContact O-CB 3.33Å; L960-M963 PolarHBondContact O-N 2.91Å; L960-M963 VanDerWaalsContact O-N 3.17Å; M963-R965 PolarHBondContact O-N 3.24Å; M963-Q966 PolarHBondContact O-N 3.45Å; M963-Q966 VanDerWaalsContact O-N 3.1Å; M963-I967 HydrophobicContact CG-CD1 3.97Å; M963-I967 WeakPolarHBondContact O-CG1 3.42Å; M963-I967 PolarHBondContact O-N 3.18Å
964	C	62.9	Low	61.3	Low	0 Å²	0	60 Å²	60	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-55.1	-47.7	174.7	-69.4	0	0	0	0	112.2	F936 L960 Q966 I967 L968 L999	F936-C964 WeakPolarHBondContact CE2-SG 3.49Å; L960-C964 PolarHBondContact O-N 2.8Å; L960-C964 PolarHBondContact O-SG 3.23Å; C964-Q966 VanDerWaalsContact C-N 3.32Å; C964-Q966 PolarHBondContact O-N 3.04Å; C964-I967 PolarHBondContact O-N 3.07Å; C964-L968 WeakPolarHBondContact O-CB 3.49Å; C964-L968 WeakPolarHBondContact O-CD1 3.29Å; C964-L968 VanDerWaalsContact O-CG 3.25Å; C964-L968 WeakPolarHBondContact O-CG 3.4Å; C964-L968 PolarHBondContact O-N 3.46Å; C964-L999 HydrophobicContact CB-CD2 4.23Å
965	R	64.2	Low	61.3	Low	105 Å²	105	54.5 Å²	54.5	40%	0.396	28%	0.277	S	S	.	.	H	α-helix	trans	-60.8	-38.9	176.6	-70.6	-179.9	-172.2	149.8	5.6	112.4	R961 T962 M963 S969 L999	R961-R965 WeakPolarHBondContact O-CG 3.3Å; R961-R965 PolarHBondContact O-N 3.18Å; T962-R965 PolarHBondContact O-N 3.27Å; M963-R965 PolarHBondContact O-N 3.24Å; R965-S969 WeakPolarHBondContact O-CB 3.38Å; R965-S969 PolarHBondContact O-N 3.08Å; R965-S969 PolarHBondContact O-OG 3.29Å; R965-L999 HydrophobicContact CG-CD1 4.49Å; R965-L999 HydrophobicContact CG-CD2 4.08Å; R965-L999 HydrophobicContact CG-CG 3.99Å
966	Q	63.5	Low	61.2	Low	66 Å²	66	54.5 Å²	54.5	31%	0.308	28%	0.277	S	S	.	.	H	α-helix	trans	-70	-39.2	176.9	-72	-167.8	7.1	0	0	112.7	M916 M932 T962 M963 C964 S969 T970	M916-Q966 HydrophobicContact CE-CB 4.37Å; M916-Q966 HydrophobicContact CE-CG 4.36Å; M932-Q966 HydrophobicContact CE-CB 4.21Å; M932-Q966 HydrophobicContact SD-CB 4.4Å; T962-Q966 PolarHBondContact O-N 2.87Å; T962-Q966 VanDerWaalsContact O-N 3.11Å; M963-Q966 PolarHBondContact O-N 3.45Å; M963-Q966 VanDerWaalsContact O-N 3.1Å; C964-Q966 VanDerWaalsContact C-N 3.32Å; C964-Q966 PolarHBondContact O-N 3.04Å; Q966-S969 PolarHBondContact O-N 2.06Å; Q966-S969 PolarHBondContact O-OG 3.4Å; Q966-T970 WeakPolarHBondContact O-CG2 3.47Å; Q966-T970 PolarHBondContact O-N 2.94Å; Q966-T970 PolarHBondContact O-OG1 3.42Å
967	I	63.7	Low	61.3	Low	0 Å²	0	57 Å²	57	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.7	-47.1	175	-60.9	162.3	0	0	0	110.4	M932 M933 F936 M963 C964 S969 T970 G971 L978	M932-I967 HydrophobicContact CB-CD1 4.07Å; M932-I967 HydrophobicContact CB-CG1 3.72Å; M932-I967 HydrophobicContact CG-CG1 4.45Å; M932-I967 HydrophobicContact SD-CG1 3.92Å; M933-I967 HydrophobicContact CG-CG2 4.49Å; M933-I967 HydrophobicContact SD-CD1 4.07Å; M933-I967 HydrophobicContact SD-CG2 4.24Å; F936-I967 HydrophobicContact CB-CD1 4.29Å; F936-I967 HydrophobicContact CG-CD1 4.46Å; M963-I967 HydrophobicContact CG-CD1 3.97Å; M963-I967 WeakPolarHBondContact O-CG1 3.42Å; M963-I967 PolarHBondContact O-N 3.18Å; C964-I967 PolarHBondContact O-N 3.07Å; I967-S969 VanDerWaalsContact C-N 3.32Å; I967-S969 PolarHBondContact O-N 2.91Å; I967-T970 PolarHBondContact O-N 2.83Å; I967-T970 VanDerWaalsContact O-N 3.07Å; I967-T970 PolarHBondContact O-OG1 3.18Å; I967-T970 VanDerWaalsContact O-OG1 3.07Å; I967-G971 PolarHBondContact O-N 3.4Å; I967-L978 HydrophobicContact CB-CD1 4.17Å; I967-L978 HydrophobicContact CD1-CD2 4.45Å; I967-L978 HydrophobicContact CG2-CD1 3.67Å
968	L	61.8	Low	61.3	Low	18 Å²	18	56.5 Å²	56.5	9%	0.094	29%	0.286	C	S	.	.	H	α-helix	trans	-59.5	-39.2	176.7	-70.5	165.5	0	0	0	112.7	C964 T970 A975 L999 I1003	C964-L968 WeakPolarHBondContact O-CB 3.49Å; C964-L968 WeakPolarHBondContact O-CD1 3.29Å; C964-L968 VanDerWaalsContact O-CG 3.25Å; C964-L968 WeakPolarHBondContact O-CG 3.4Å; C964-L968 PolarHBondContact O-N 3.46Å; L968-T970 VanDerWaalsContact C-N 3.27Å; L968-T970 PolarHBondContact O-N 3.29Å; L968-A975 HydrophobicContact CD2-CB 4.18Å; L968-L999 HydrophobicContact CD1-CD2 4.14Å; L968-I1003 HydrophobicContact CD1-CD1 4.32Å; L968-I1003 HydrophobicContact CD1-CG1 3.53Å; L968-I1003 HydrophobicContact CD2-CG1 4.22Å
969	S	60.2	Low	61.2	Low	89 Å²	89	52.6 Å²	52.6	62%	0.622	27%	0.27	S	S	*	.	H	α-helix	trans	-72.7	-16.7	177.1	69.8	0	0	0	0	114.4	R965 Q966 I967	R965-S969 WeakPolarHBondContact O-CB 3.38Å; R965-S969 PolarHBondContact O-N 3.08Å; R965-S969 PolarHBondContact O-OG 3.29Å; Q966-S969 PolarHBondContact O-N 2.06Å; Q966-S969 PolarHBondContact O-OG 3.4Å; I967-S969 VanDerWaalsContact C-N 3.32Å; I967-S969 PolarHBondContact O-N 2.91Å
970	T	55.9	Low	61.2	Low	37 Å²	37	54.4 Å²	54.4	23%	0.227	28%	0.277	C	S	.	.	H	α-helix	trans	-101.8	-31	-179	50.1	0	0	0	0	113.8	Q966 I967 L968	Q966-T970 WeakPolarHBondContact O-CG2 3.47Å; Q966-T970 PolarHBondContact O-N 2.94Å; Q966-T970 PolarHBondContact O-OG1 3.42Å; I967-T970 PolarHBondContact O-N 2.83Å; I967-T970 VanDerWaalsContact O-N 3.07Å; I967-T970 PolarHBondContact O-OG1 3.18Å; I967-T970 VanDerWaalsContact O-OG1 3.07Å; L968-T970 VanDerWaalsContact C-N 3.27Å; L968-T970 PolarHBondContact O-N 3.29Å
971	G	57.1	Low	60.9	Low	19 Å²	19	57.5 Å²	57.5	20%	0.196	29%	0.289	C	S	.	.			trans	-175.6	144.7	171.8	0	0	0	0	0	116.6	I967 K973	I967-G971 PolarHBondContact O-N 3.4Å; G971-K973 PolarHBondContact O-N 2.9Å
972	T	55.7	Low	60.7	Low	89 Å²	89	55.7 Å²	55.7	55%	0.546	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-80.3	-9.5	-174.2	53.5	0	0	0	0	115.4	Y974 A975 S1006	T972-Y974 PolarHBondContact O-N 2.97Å; T972-A975 WeakPolarHBondContact O-CB 3.29Å; T972-A975 PolarHBondContact O-N 2.77Å; T972-S1006 VanDerWaalsContact CG2-O 3.28Å; T972-S1006 WeakPolarHBondContact CG2-O 3.46Å
973	K	59.6	Low	60.4	Low	144 Å²	144	57.2 Å²	57.2	63%	0.626	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-53.7	-32.8	-171.1	-174.6	-173.5	172.3	-158.1	0	114.3	D930 G971	D930-K973 IonicContact OD1-NZ 3.82Å; D930-K973 PolarHBondContact OD1-NZ 2.92Å; G971-K973 PolarHBondContact O-N 2.9Å
974	Y	58.8	Low	59.9	Low	43 Å²	43	64 Å²	64	17%	0.169	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-109.4	5.9	-177.1	-59.7	-69.6	0	0	0	114	D930 M933 T972 K976 Q977 L978	D930-Y974 WeakPolarHBondContact OD1-CE2 3.44Å; D930-Y974 VanDerWaalsContact OD1-CZ 3.25Å; D930-Y974 PolarHBondContact OD1-OH 3.17Å; M933-Y974 HydrophobicContact CE-CD1 4.35Å; M933-Y974 HydrophobicContact CE-CG 4.18Å; M933-Y974 HydrophobicContact CG-CD1 4.41Å; M933-Y974 HydrophobicContact CG-CD2 3.52Å; M933-Y974 HydrophobicContact CG-CE2 4Å; M933-Y974 HydrophobicContact CG-CG 3.74Å; M933-Y974 HydrophobicContact SD-CD2 4.4Å; M933-Y974 HydrophobicContact SD-CG 4.12Å; T972-Y974 PolarHBondContact O-N 2.97Å; Y974-K976 PolarHBondContact O-N 3.43Å; Y974-K976 VanDerWaalsContact O-N 3.16Å; Y974-Q977 PolarHBondContact O-N 2.67Å; Y974-L978 PolarHBondContact O-N 2.54Å
975	A	59.3	Low	59.6	Low	5 Å²	5	65.2 Å²	65.2	4%	0.041	33%	0.329	C	S	.	.	H	α-helix	trans	-54.6	-39.3	-175	0	0	0	0	0	112.8	L968 T972 L978 V979	L968-A975 HydrophobicContact CD2-CB 4.18Å; T972-A975 WeakPolarHBondContact O-CB 3.29Å; T972-A975 PolarHBondContact O-N 2.77Å; A975-L978 PolarHBondContact O-N 3.15Å; A975-V979 WeakPolarHBondContact O-CG2 3.23Å; A975-V979 PolarHBondContact O-N 2.67Å
976	K	56.5	Low	58.9	Low	155 Å²	155	64.1 Å²	64.1	67%	0.674	34%	0.336	S	S	*	.	H	α-helix	trans	-63.3	-48.9	175.4	-175.8	171	-178.6	174	0	112.9	Y974 L978 V979 D980	Y974-K976 PolarHBondContact O-N 3.43Å; Y974-K976 VanDerWaalsContact O-N 3.16Å; K976-L978 VanDerWaalsContact C-N 3.26Å; K976-L978 PolarHBondContact O-N 2.88Å; K976-V979 PolarHBondContact O-N 2.83Å; K976-D980 WeakPolarHBondContact CG-OD2 3.36Å; K976-D980 WeakPolarHBondContact O-CB 3.41Å; K976-D980 PolarHBondContact O-N 3.04Å
977	Q	61.3	Low	58.4	Low	104 Å²	104	62.6 Å²	62.6	49%	0.486	33%	0.332	S	S	.	.	H	α-helix	trans	-65.1	-31	179	-69.6	-179	-14.5	0	0	112.5	Y974 K981	Y974-Q977 PolarHBondContact O-N 2.67Å; Q977-K981 WeakPolarHBondContact O-CB 3.36Å; Q977-K981 PolarHBondContact O-N 3.15Å
978	L	62.4	Low	57.9	Low	4 Å²	4	64.2 Å²	64.2	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-68.6	-45.4	172.3	-83.6	158.3	0	0	0	112	M933 F936 I967 Y974 A975 K976 L982	M933-L978 HydrophobicContact SD-CD1 4.08Å; M933-L978 HydrophobicContact SD-CD2 4.34Å; M933-L978 HydrophobicContact SD-CG 4.08Å; F936-L978 HydrophobicContact CD1-CD2 3.98Å; F936-L978 HydrophobicContact CD2-CD2 4.46Å; F936-L978 HydrophobicContact CE1-CD2 3.58Å; F936-L978 HydrophobicContact CE2-CD2 4.1Å; F936-L978 HydrophobicContact CG-CD2 4.41Å; F936-L978 HydrophobicContact CZ-CD2 3.65Å; I967-L978 HydrophobicContact CB-CD1 4.17Å; I967-L978 HydrophobicContact CD1-CD2 4.45Å; I967-L978 HydrophobicContact CG2-CD1 3.67Å; Y974-L978 PolarHBondContact O-N 2.54Å; A975-L978 PolarHBondContact O-N 3.15Å; K976-L978 VanDerWaalsContact C-N 3.26Å; K976-L978 PolarHBondContact O-N 2.88Å; L978-L982 VanDerWaalsContact O-CB 3.24Å; L978-L982 WeakPolarHBondContact O-CB 3.42Å; L978-L982 WeakPolarHBondContact O-CD1 3.4Å; L978-L982 WeakPolarHBondContact O-CG 3.42Å; L978-L982 PolarHBondContact O-N 3.18Å
979	V	61.1	Low	57.5	Low	39 Å²	39	68.7 Å²	68.7	24%	0.236	37%	0.367	C	S	.	.	H	α-helix	trans	-64	-48.4	176.9	169.4	0	0	0	0	110.9	A975 K976 K981 L982 L983 I1003	A975-V979 WeakPolarHBondContact O-CG2 3.23Å; A975-V979 PolarHBondContact O-N 2.67Å; K976-V979 PolarHBondContact O-N 2.83Å; V979-K981 PolarHBondContact O-N 2.94Å; V979-L982 PolarHBondContact O-N 3.31Å; V979-L983 HydrophobicContact CG1-CD1 3.71Å; V979-L983 HydrophobicContact CG1-CG 4.3Å; V979-L983 WeakPolarHBondContact O-CB 3.46Å; V979-L983 VanDerWaalsContact O-CG 3.31Å; V979-L983 WeakPolarHBondContact O-CG 3.21Å; V979-L983 PolarHBondContact O-N 3.2Å; V979-I1003 HydrophobicContact CG2-CD1 4.2Å; V979-I1003 HydrophobicContact CG2-CG2 3.79Å
980	D	61.6	Low	56.9	Low	76 Å²	76	73 Å²	73	41%	0.406	38%	0.378	S	S	.	.	H	α-helix	trans	-56.5	-48.9	179.5	-64.3	-22.2	0	0	0	110.4	K976 L983 E984	K976-D980 WeakPolarHBondContact CG-OD2 3.36Å; K976-D980 WeakPolarHBondContact O-CB 3.41Å; K976-D980 PolarHBondContact O-N 3.04Å; D980-L983 PolarHBondContact O-N 3.17Å; D980-E984 WeakPolarHBondContact O-CG 3.24Å; D980-E984 PolarHBondContact O-N 3Å
981	K	58.8	Low	56.9	Low	82 Å²	82	73 Å²	73	36%	0.357	38%	0.379	S	S	.	.	H	α-helix	trans	-72.8	-25.7	177.4	-75.8	-129.2	177.6	-175.6	0	115.2	E941 Q977 V979	E941-K981 IonicContact OE1-NZ 2.78Å; Q977-K981 WeakPolarHBondContact O-CB 3.36Å; Q977-K981 PolarHBondContact O-N 3.15Å; V979-K981 PolarHBondContact O-N 2.94Å
982	L	60.8	Low	56.8	Low	19 Å²	19	75.8 Å²	75.8	10%	0.099	39%	0.393	C	S	.	.	H	α-helix	trans	-72.9	-39.1	173.9	-82.4	165.6	0	0	0	111.4	L978 V979 E984 S985 F988	L978-L982 VanDerWaalsContact O-CB 3.24Å; L978-L982 WeakPolarHBondContact O-CB 3.42Å; L978-L982 WeakPolarHBondContact O-CD1 3.4Å; L978-L982 WeakPolarHBondContact O-CG 3.42Å; L978-L982 PolarHBondContact O-N 3.18Å; V979-L982 PolarHBondContact O-N 3.31Å; L982-E984 VanDerWaalsContact C-N 3.28Å; L982-E984 PolarHBondContact O-N 3.09Å; L982-S985 WeakPolarHBondContact O-CB 3.47Å; L982-S985 PolarHBondContact O-N 3.49Å; L982-S985 VanDerWaalsContact O-N 3.13Å; L982-S985 PolarHBondContact O-OG 2.98Å; L982-F988 WeakPolarHBondContact O-CB 3.11Å
983	L	57.5	Low	56.7	Low	102 Å²	102	77 Å²	77	53%	0.534	39%	0.391	S	S	.	.	H	α-helix	trans	-68.7	-27.2	175.9	-68.3	171.3	0	0	0	112.5	V979 D980 S985 F988	V979-L983 HydrophobicContact CG1-CD1 3.71Å; V979-L983 HydrophobicContact CG1-CG 4.3Å; V979-L983 WeakPolarHBondContact O-CB 3.46Å; V979-L983 VanDerWaalsContact O-CG 3.31Å; V979-L983 WeakPolarHBondContact O-CG 3.21Å; V979-L983 PolarHBondContact O-N 3.2Å; D980-L983 PolarHBondContact O-N 3.17Å; L983-S985 VanDerWaalsContact C-N 3.26Å; L983-S985 PolarHBondContact O-N 3.37Å; L983-F988 HydrophobicContact CD2-CD1 4.46Å; L983-F988 HydrophobicContact CD2-CE1 4.5Å
984	E	55.2	Low	56.4	Low	147 Å²	147	79.1 Å²	79.1	69%	0.687	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-11.1	171	-72.8	173.5	170.1	0	0	113.6	D980 L982	D980-E984 WeakPolarHBondContact O-CG 3.24Å; D980-E984 PolarHBondContact O-N 3Å; L982-E984 VanDerWaalsContact C-N 3.28Å; L982-E984 PolarHBondContact O-N 3.09Å
985	S	56.2	Low	56.1	Low	27 Å²	27	82 Å²	82	19%	0.189	42%	0.421	C	S	.	.			trans	-84.8	128.7	-177.5	73.4	0	0	0	0	112.6	L982 L983 S987 F988 V989	L982-S985 WeakPolarHBondContact O-CB 3.47Å; L982-S985 PolarHBondContact O-N 3.49Å; L982-S985 VanDerWaalsContact O-N 3.13Å; L982-S985 PolarHBondContact O-OG 2.98Å; L983-S985 VanDerWaalsContact C-N 3.26Å; L983-S985 PolarHBondContact O-N 3.37Å; S985-S987 VanDerWaalsContact C-N 3.25Å; S985-S987 PolarHBondContact O-N 2.8Å; S985-F988 PolarHBondContact O-N 3.18Å; S985-F988 WeakPolarHBondContact OG-CB 3.43Å; S985-V989 PolarHBondContact O-N 2.77Å
986	P	50.3	Low	55.8	Low	82 Å²	82	81.8 Å²	81.8	53%	0.532	42%	0.419	S	S	.	.	H	α-helix	trans	-61.6	-34.9	-175.3	23.5	-33.2	0	0	0	112.3	F988 V989 E990	P986-F988 PolarHBondContact O-N 3.17Å; P986-V989 PolarHBondContact O-N 3.31Å; P986-V989 VanDerWaalsContact O-N 3.16Å; P986-E990 PolarHBondContact O-N 3.44Å
987	S	52.5	Low	55.9	Low	34 Å²	34	74.8 Å²	74.8	24%	0.238	39%	0.391	C	S	.	.	H	α-helix	trans	-61.5	-20.8	176.6	-46	0	0	0	0	114.5	D957 S985 S991	D957-S987 WeakPolarHBondContact OD2-CB 3.48Å; D957-S987 PolarHBondContact OD2-OG 3.36Å; S985-S987 VanDerWaalsContact C-N 3.25Å; S985-S987 PolarHBondContact O-N 2.8Å; S987-S991 WeakPolarHBondContact O-CB 3.46Å
988	F	52.8	Low	55.7	Low	34 Å²	34	71.8 Å²	71.8	15%	0.149	39%	0.387	C	S	.	.	H	α-helix	trans	-90.1	-36.4	175.4	-150.8	-86.7	0	0	0	111.3	L982 L983 S985 P986 E990 S991 N996 L1000	L982-F988 WeakPolarHBondContact O-CB 3.11Å; L983-F988 HydrophobicContact CD2-CD1 4.46Å; L983-F988 HydrophobicContact CD2-CE1 4.5Å; S985-F988 PolarHBondContact O-N 3.18Å; S985-F988 WeakPolarHBondContact OG-CB 3.43Å; P986-F988 PolarHBondContact O-N 3.17Å; F988-E990 PolarHBondContact O-N 2.92Å; F988-S991 PolarHBondContact O-N 3.35Å; F988-S991 PolarHBondContact O-OG 3.12Å; F988-N996 WeakPolarHBondContact CD2-ND2 3.48Å; F988-N996 HydrophobicContact CE2-CB 3.82Å; F988-N996 VanDerWaalsContact CE2-CG 3.48Å; F988-N996 WeakPolarHBondContact CE2-ND2 3.34Å; F988-N996 HydrophobicContact CZ-CB 3.84Å; F988-L1000 HydrophobicContact CE1-CD2 4.38Å; F988-L1000 HydrophobicContact CZ-CD1 4.5Å; F988-L1000 HydrophobicContact CZ-CD2 4.01Å; F988-L1000 HydrophobicContact CZ-CG 4.21Å
989	V	53.7	Low	55.5	Low	112 Å²	112	71.7 Å²	71.7	68%	0.679	39%	0.387	S	S	*	.	H	α-helix	trans	-64.3	-35.7	178.9	179.2	0	0	0	0	112.5	S985 P986	S985-V989 PolarHBondContact O-N 2.77Å; P986-V989 PolarHBondContact O-N 3.31Å; P986-V989 VanDerWaalsContact O-N 3.16Å
990	E	47.9	Very low	55.5	Low	179 Å²	179	71.9 Å²	71.9	84%	0.836	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-1.1	178.3	-61.8	-165.1	152	0	0	114.5	P986 F988	P986-E990 PolarHBondContact O-N 3.44Å; F988-E990 PolarHBondContact O-N 2.92Å
991	S	54.9	Low	55.5	Low	38 Å²	38	73.3 Å²	73.3	27%	0.266	39%	0.394	S	S	.	.			trans	-91.2	152.7	-171	71.5	0	0	0	0	114.3	S987 F988 N996	S987-S991 WeakPolarHBondContact O-CB 3.46Å; F988-S991 PolarHBondContact O-N 3.35Å; F988-S991 PolarHBondContact O-OG 3.12Å; S991-N996 WeakPolarHBondContact CB-ND2 3.28Å; S991-N996 PolarHBondContact OG-ND2 3Å
992	T	55	Low	55.5	Low	77 Å²	77	73.2 Å²	73.2	47%	0.472	40%	0.397	S	S	.	.			trans	-84.2	156.5	176.3	76.4	0	0	0	0	111.9	E994 D995 N996	T992-E994 PolarHBondContact O-N 3.44Å; T992-D995 WeakPolarHBondContact CB-OD2 3.36Å; T992-D995 PolarHBondContact N-OD2 3Å; T992-D995 PolarHBondContact O-N 3.41Å; T992-D995 VanDerWaalsContact O-N 3.13Å; T992-D995 PolarHBondContact OG1-OD2 3.43Å; T992-N996 PolarHBondContact O-N 3.12Å
993	F	54.7	Low	55.4	Low	115 Å²	115	73 Å²	73	50%	0.504	40%	0.396	S	S	.	.	H	α-helix	trans	-60.2	-26.8	175.8	-173.4	-96.5	0	0	0	112.8	G997 L1000 M1017	F993-G997 VanDerWaalsContact O-CA 3.22Å; F993-G997 WeakPolarHBondContact O-CA 3.47Å; F993-G997 PolarHBondContact O-N 3.33Å; F993-L1000 HydrophobicContact CD2-CD1 3.9Å; F993-L1000 HydrophobicContact CE2-CD1 3.7Å; F993-M1017 HydrophobicContact CE2-CE 3.53Å; F993-M1017 HydrophobicContact CZ-CE 3.68Å
994	E	52.7	Low	55.3	Low	187 Å²	187	70.6 Å²	70.6	87%	0.874	38%	0.382	S	S	*	.	H	α-helix	trans	-68.9	-34.4	178	-142	171.8	-173.3	0	0	111.8	T992	T992-E994 PolarHBondContact O-N 3.44Å
995	D	52.8	Low	55.3	Low	103 Å²	103	68 Å²	68	55%	0.551	39%	0.386	S	S	*	.	H	α-helix	trans	-73.4	-37.1	-179.7	-59.8	-57.5	0	0	0	113.1	T992	T992-D995 WeakPolarHBondContact CB-OD2 3.36Å; T992-D995 PolarHBondContact N-OD2 3Å; T992-D995 PolarHBondContact O-N 3.41Å; T992-D995 VanDerWaalsContact O-N 3.13Å; T992-D995 PolarHBondContact OG1-OD2 3.43Å
996	N	54	Low	55.2	Low	2 Å²	2	68.2 Å²	68.2	1%	0.011	39%	0.388	C	S	.	.	H	α-helix	trans	-111.9	-3.2	-173.4	-78.8	-36.2	0	0	0	114.5	R961 F988 S991 T992 G998 L999 L1000	R961-N996 PolarHBondContact NH1-OD1 3.34Å; F988-N996 WeakPolarHBondContact CD2-ND2 3.48Å; F988-N996 HydrophobicContact CE2-CB 3.82Å; F988-N996 VanDerWaalsContact CE2-CG 3.48Å; F988-N996 WeakPolarHBondContact CE2-ND2 3.34Å; F988-N996 HydrophobicContact CZ-CB 3.84Å; S991-N996 WeakPolarHBondContact CB-ND2 3.28Å; S991-N996 PolarHBondContact OG-ND2 3Å; T992-N996 PolarHBondContact O-N 3.12Å; N996-G998 VanDerWaalsContact C-N 3.27Å; N996-G998 PolarHBondContact O-N 3.35Å; N996-G998 VanDerWaalsContact O-N 3.16Å; N996-L999 PolarHBondContact O-N 3.02Å; N996-L1000 PolarHBondContact O-N 2.77Å
997	G	56.6	Low	55.3	Low	8 Å²	8	66.2 Å²	66.2	8%	0.082	38%	0.375	C	S	.	.	H	α-helix	trans	-55.9	-34.7	-176.7	0	0	0	0	0	114.4	F993 L1000 L1001	F993-G997 VanDerWaalsContact O-CA 3.22Å; F993-G997 WeakPolarHBondContact O-CA 3.47Å; F993-G997 PolarHBondContact O-N 3.33Å; G997-L1000 PolarHBondContact O-N 3.49Å; G997-L1001 WeakPolarHBondContact O-CB 3.36Å; G997-L1001 WeakPolarHBondContact O-CD1 3.5Å; G997-L1001 WeakPolarHBondContact O-CG 3.25Å; G997-L1001 PolarHBondContact O-N 3.4Å
998	G	58.5	Low	55.1	Low	40 Å²	40	73.7 Å²	73.7	41%	0.412	41%	0.406	S	S	.	.	H	α-helix	trans	-64.7	-39.8	174.2	0	0	0	0	0	113.5	N996 L1001 D1002	N996-G998 VanDerWaalsContact C-N 3.27Å; N996-G998 PolarHBondContact O-N 3.35Å; N996-G998 VanDerWaalsContact O-N 3.16Å; G998-L1001 PolarHBondContact O-N 2.99Å; G998-D1002 VanDerWaalsContact O-CG 3.28Å; G998-D1002 PolarHBondContact O-N 3.24Å
999	L	58.9	Low	55.1	Low	2 Å²	2	80.7 Å²	80.7	1%	0.01	43%	0.433	C	S	.	.	H	α-helix	trans	-71.6	-38.4	178	-120.4	159.7	0	0	0	111.2	R961 C964 R965 L968 N996 D1002 I1003	R961-L999 HydrophobicContact CB-CD1 3.75Å; R961-L999 HydrophobicContact CG-CD1 3.58Å; C964-L999 HydrophobicContact CB-CD2 4.23Å; R965-L999 HydrophobicContact CG-CD1 4.49Å; R965-L999 HydrophobicContact CG-CD2 4.08Å; R965-L999 HydrophobicContact CG-CG 3.99Å; L968-L999 HydrophobicContact CD1-CD2 4.14Å; N996-L999 PolarHBondContact O-N 3.02Å; L999-D1002 PolarHBondContact O-N 3.4Å; L999-I1003 HydrophobicContact CD2-CD1 4.25Å; L999-I1003 WeakPolarHBondContact O-CD1 3.33Å; L999-I1003 VanDerWaalsContact O-CG1 3.22Å; L999-I1003 WeakPolarHBondContact O-CG1 3.33Å; L999-I1003 PolarHBondContact O-N 2.82Å
1000	L	60.4	Low	55	Low	43 Å²	43	82.3 Å²	82.3	23%	0.225	43%	0.433	C	S	.	.	H	α-helix	trans	-64.6	-41.3	173.6	-68.9	170.3	0	0	0	111.8	F988 F993 N996 G997 I1003 M1004	F988-L1000 HydrophobicContact CE1-CD2 4.38Å; F988-L1000 HydrophobicContact CZ-CD1 4.5Å; F988-L1000 HydrophobicContact CZ-CD2 4.01Å; F988-L1000 HydrophobicContact CZ-CG 4.21Å; F993-L1000 HydrophobicContact CD2-CD1 3.9Å; F993-L1000 HydrophobicContact CE2-CD1 3.7Å; N996-L1000 PolarHBondContact O-N 2.77Å; G997-L1000 PolarHBondContact O-N 3.49Å; L1000-I1003 PolarHBondContact O-N 3.14Å; L1000-M1004 WeakPolarHBondContact O-CB 3.39Å; L1000-M1004 VanDerWaalsContact O-CG 3.24Å; L1000-M1004 WeakPolarHBondContact O-CG 3.41Å; L1000-M1004 PolarHBondContact O-N 2.85Å
1001	L	61.4	Low	54.9	Low	106 Å²	106	77.4 Å²	77.4	56%	0.555	42%	0.423	S	S	*	.	H	α-helix	trans	-65.2	-39.5	174.9	-75.2	166.3	0	0	0	112.5	G997 G998 M1004 A1005	G997-L1001 WeakPolarHBondContact O-CB 3.36Å; G997-L1001 WeakPolarHBondContact O-CD1 3.5Å; G997-L1001 WeakPolarHBondContact O-CG 3.25Å; G997-L1001 PolarHBondContact O-N 3.4Å; G998-L1001 PolarHBondContact O-N 2.99Å; L1001-M1004 PolarHBondContact O-N 2.99Å; L1001-A1005 WeakPolarHBondContact O-CB 3.18Å; L1001-A1005 PolarHBondContact O-N 2.96Å
1002	D	58.5	Low	54.5	Low	80 Å²	80	82.4 Å²	82.4	43%	0.428	44%	0.442	S	S	.	.	H	α-helix	trans	-64.7	-38.5	174.3	-72.1	-24	0	0	0	111.8	G998 L999 S1006	G998-D1002 VanDerWaalsContact O-CG 3.28Å; G998-D1002 PolarHBondContact O-N 3.24Å; L999-D1002 PolarHBondContact O-N 3.4Å; D1002-S1006 PolarHBondContact O-N 2.99Å; D1002-S1006 PolarHBondContact O-OG 2.84Å
1003	I	59.1	Low	54.1	Low	15 Å²	15	82.3 Å²	82.3	8%	0.077	44%	0.439	C	S	.	.	H	α-helix	trans	-66.4	-45.3	173	-68.4	162.2	0	0	0	110.8	L968 V979 L999 L1000 A1005 S1006 C1007	L968-I1003 HydrophobicContact CD1-CD1 4.32Å; L968-I1003 HydrophobicContact CD1-CG1 3.53Å; L968-I1003 HydrophobicContact CD2-CG1 4.22Å; V979-I1003 HydrophobicContact CG2-CD1 4.2Å; V979-I1003 HydrophobicContact CG2-CG2 3.79Å; L999-I1003 HydrophobicContact CD2-CD1 4.25Å; L999-I1003 WeakPolarHBondContact O-CD1 3.33Å; L999-I1003 VanDerWaalsContact O-CG1 3.22Å; L999-I1003 WeakPolarHBondContact O-CG1 3.33Å; L999-I1003 PolarHBondContact O-N 2.82Å; L1000-I1003 PolarHBondContact O-N 3.14Å; I1003-A1005 VanDerWaalsContact C-N 3.31Å; I1003-A1005 PolarHBondContact O-N 2.95Å; I1003-S1006 CarbonylContact O-C 3.59Å; I1003-S1006 PolarHBondContact O-N 3.41Å; I1003-S1006 VanDerWaalsContact O-N 3.08Å; I1003-S1006 PolarHBondContact O-OG 3.22Å; I1003-C1007 WeakPolarHBondContact O-CB 3.4Å; I1003-C1007 PolarHBondContact O-N 3.48Å
1004	M	54.1	Low	53.9	Low	51 Å²	51	82.8 Å²	82.8	25%	0.251	44%	0.438	S	S	.	.	H	α-helix	trans	-61.7	-38.2	176.4	-73	173.9	71.9	0	0	112	L1000 L1001 S1006 Y1014 M1017	L1000-M1004 WeakPolarHBondContact O-CB 3.39Å; L1000-M1004 VanDerWaalsContact O-CG 3.24Å; L1000-M1004 WeakPolarHBondContact O-CG 3.41Å; L1000-M1004 PolarHBondContact O-N 2.85Å; L1001-M1004 PolarHBondContact O-N 2.99Å; M1004-S1006 PolarHBondContact O-N 3.35Å; M1004-Y1014 HydrophobicContact CE-CE2 4.12Å; M1004-M1017 HydrophobicContact SD-CE 4.12Å
1005	A	56.9	Low	53.6	Low	92 Å²	92	80.9 Å²	80.9	76%	0.76	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-12	176.2	0	0	0	0	0	114	L1001 I1003	L1001-A1005 WeakPolarHBondContact O-CB 3.18Å; L1001-A1005 PolarHBondContact O-N 2.96Å; I1003-A1005 VanDerWaalsContact C-N 3.31Å; I1003-A1005 PolarHBondContact O-N 2.95Å
1006	S	52.7	Low	53.4	Low	32 Å²	32	81.8 Å²	81.8	22%	0.224	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-0.9	-177	53.5	0	0	0	0	114.9	T972 D1002 I1003 M1004	T972-S1006 VanDerWaalsContact CG2-O 3.28Å; T972-S1006 WeakPolarHBondContact CG2-O 3.46Å; D1002-S1006 PolarHBondContact O-N 2.99Å; D1002-S1006 PolarHBondContact O-OG 2.84Å; I1003-S1006 CarbonylContact O-C 3.59Å; I1003-S1006 PolarHBondContact O-N 3.41Å; I1003-S1006 VanDerWaalsContact O-N 3.08Å; I1003-S1006 PolarHBondContact O-OG 3.22Å; M1004-S1006 PolarHBondContact O-N 3.35Å
1007	C	52.2	Low	52.9	Low	40 Å²	40	83.9 Å²	83.9	27%	0.27	44%	0.44	S	S	.	.			trans	-116.8	123	178.9	-76.8	0	0	0	0	112.3	I1003 Y1009	I1003-C1007 WeakPolarHBondContact O-CB 3.4Å; I1003-C1007 PolarHBondContact O-N 3.48Å; C1007-Y1009 PolarHBondContact O-N 2.78Å
1008	E	50.3	Low	52.7	Low	192 Å²	192	87.6 Å²	87.6	90%	0.897	46%	0.457	S	S	*	.	S	Bend	trans	-73.2	16.1	-179.7	-61.7	-174.7	146	0	0	115.2
1009	Y	50.8	Low	52.3	Low	181 Å²	181	92.5 Å²	92.5	71%	0.71	47%	0.465	S	S	*	.			trans	-111.6	64.9	-172.3	-89.2	-96.3	0	0	0	112.8	C1007 A1011	C1007-Y1009 PolarHBondContact O-N 2.78Å; Y1009-A1011 VanDerWaalsContact C-N 3.32Å; Y1009-A1011 PolarHBondContact O-N 3.04Å
1010	E	52	Low	51.8	Low	145 Å²	145	97 Å²	97	68%	0.678	49%	0.488	S	S	*	.	H	α-helix	trans	-70	-19.2	-178.6	-63.8	-176.8	142.9	0	0	114.4	Y1014	E1010-Y1014 WeakPolarHBondContact O-CD2 3.42Å
1011	A	46.8	Very low	51.3	Low	76 Å²	76	99.2 Å²	99.2	63%	0.628	50%	0.499	S	S	*	.	H	α-helix	trans	-78.1	-40.6	-166.9	0	0	0	0	0	115.4	Y1009	Y1009-A1011 VanDerWaalsContact C-N 3.32Å; Y1009-A1011 PolarHBondContact O-N 3.04Å
1012	E	46.2	Very low	50.8	Low	143 Å²	143	102.9 Å²	102.9	67%	0.668	51%	0.505	S	S	*	.	H	α-helix	trans	-86	-41.6	-172.9	-68.4	176.7	155	0	0	111.7	Y1014 Q1015 E1016	E1012-Y1014 VanDerWaalsContact C-N 3.26Å; E1012-Y1014 PolarHBondContact O-N 3.05Å; E1012-Q1015 PolarHBondContact O-N 3.44Å; E1012-E1016 PolarHBondContact O-N 2.95Å
1013	L	46.4	Very low	50.5	Low	76 Å²	76	104.7 Å²	104.7	40%	0.398	51%	0.511	S	S	.	.	H	α-helix	trans	-58.3	-35.2	176.6	-111.5	156.6	0	0	0	113	Q1015 M1017	L1013-Q1015 VanDerWaalsContact C-N 3.34Å; L1013-Q1015 PolarHBondContact O-N 2.96Å; L1013-M1017 WeakPolarHBondContact O-CB 3.46Å; L1013-M1017 PolarHBondContact O-N 3.45Å
1014	Y	49.8	Very low	50.2	Low	125 Å²	125	109.9 Å²	109.9	49%	0.49	54%	0.535	S	S	.	.	H	α-helix	trans	-68.3	-29	174.8	-93.4	-102.5	0	0	0	113.3	M1004 E1010 E1012 I1018	M1004-Y1014 HydrophobicContact CE-CE2 4.12Å; E1010-Y1014 WeakPolarHBondContact O-CD2 3.42Å; E1012-Y1014 VanDerWaalsContact C-N 3.26Å; E1012-Y1014 PolarHBondContact O-N 3.05Å; Y1014-I1018 WeakPolarHBondContact O-CB 3.23Å; Y1014-I1018 WeakPolarHBondContact O-CD1 3.35Å; Y1014-I1018 WeakPolarHBondContact O-CG1 3.35Å; Y1014-I1018 PolarHBondContact O-N 3.43Å; Y1014-I1018 VanDerWaalsContact O-N 3.14Å
1015	Q	47.9	Very low	50.1	Low	147 Å²	147	112 Å²	112	69%	0.687	55%	0.548	S	S	*	.	H	α-helix	trans	-74.6	-42.8	177.5	-68.4	-169.9	-3.2	0	0	111.4	E1012 L1013 I1018 Y1019	E1012-Q1015 PolarHBondContact O-N 3.44Å; L1013-Q1015 VanDerWaalsContact C-N 3.34Å; L1013-Q1015 PolarHBondContact O-N 2.96Å; Q1015-I1018 PolarHBondContact O-N 3.28Å; Q1015-Y1019 PolarHBondContact O-N 3Å
1016	E	47.9	Very low	49.7	Very low	121 Å²	121	112.7 Å²	112.7	57%	0.565	54%	0.538	S	S	*	.	H	α-helix	trans	-62.7	-44.1	173.3	-73.3	-61.7	145.2	0	0	112	E1012 I1018 Y1019 L1020	E1012-E1016 PolarHBondContact O-N 2.95Å; E1016-I1018 VanDerWaalsContact C-N 3.34Å; E1016-I1018 PolarHBondContact O-N 3.3Å; E1016-Y1019 WeakPolarHBondContact O-CB 3.48Å; E1016-Y1019 PolarHBondContact O-N 2.82Å; E1016-Y1019 VanDerWaalsContact O-N 3.1Å; E1016-L1020 PolarHBondContact O-N 3.47Å
1017	M	44.3	Very low	49.5	Very low	46 Å²	46	113.6 Å²	113.6	23%	0.227	54%	0.544	C	S	.	.	H	α-helix	trans	-58.3	-42.6	173.1	-90.7	-171.1	160.7	0	0	112.9	F993 M1004 L1013 Y1019 L1020 I1021	F993-M1017 HydrophobicContact CE2-CE 3.53Å; F993-M1017 HydrophobicContact CZ-CE 3.68Å; M1004-M1017 HydrophobicContact SD-CE 4.12Å; L1013-M1017 WeakPolarHBondContact O-CB 3.46Å; L1013-M1017 PolarHBondContact O-N 3.45Å; M1017-Y1019 VanDerWaalsContact C-N 3.26Å; M1017-Y1019 PolarHBondContact O-N 3.28Å; M1017-L1020 PolarHBondContact O-N 3.04Å; M1017-I1021 WeakPolarHBondContact O-CB 3.19Å; M1017-I1021 WeakPolarHBondContact O-CD1 3.24Å; M1017-I1021 WeakPolarHBondContact O-CG1 3.39Å; M1017-I1021 PolarHBondContact O-N 3.39Å
1018	I	51.5	Low	49.3	Very low	86 Å²	86	116.1 Å²	116.1	44%	0.441	56%	0.555	S	S	.	*	H	α-helix	trans	-66.7	-29.7	177.9	-72.4	167.4	0	0	0	111.5	Y1014 Q1015 E1016 R1022	Y1014-I1018 WeakPolarHBondContact O-CB 3.23Å; Y1014-I1018 WeakPolarHBondContact O-CD1 3.35Å; Y1014-I1018 WeakPolarHBondContact O-CG1 3.35Å; Y1014-I1018 PolarHBondContact O-N 3.43Å; Y1014-I1018 VanDerWaalsContact O-N 3.14Å; Q1015-I1018 PolarHBondContact O-N 3.28Å; E1016-I1018 VanDerWaalsContact C-N 3.34Å; E1016-I1018 PolarHBondContact O-N 3.3Å; I1018-R1022 WeakPolarHBondContact O-CD 3.37Å; I1018-R1022 VanDerWaalsContact O-CG 3.25Å; I1018-R1022 WeakPolarHBondContact O-CG 3.27Å; I1018-R1022 PolarHBondContact O-N 3.04Å
1019	Y	49.7	Very low	49.2	Very low	144 Å²	144	109.5 Å²	109.5	57%	0.565	53%	0.533	S	S	*	.	H	α-helix	trans	-69.5	-53.2	174.3	-172.9	-98.6	0	0	0	111.4	Q1015 E1016 M1017 I1021 R1022 E1023	Q1015-Y1019 PolarHBondContact O-N 3Å; E1016-Y1019 WeakPolarHBondContact O-CB 3.48Å; E1016-Y1019 PolarHBondContact O-N 2.82Å; E1016-Y1019 VanDerWaalsContact O-N 3.1Å; M1017-Y1019 VanDerWaalsContact C-N 3.26Å; M1017-Y1019 PolarHBondContact O-N 3.28Å; Y1019-I1021 PolarHBondContact O-N 3.1Å; Y1019-R1022 WeakPolarHBondContact O-CB 3.27Å; Y1019-R1022 PolarHBondContact O-N 3.39Å; Y1019-E1023 PolarHBondContact O-N 2.87Å; Y1019-E1023 VanDerWaalsContact O-N 3.12Å
1020	L	48.2	Very low	48.9	Very low	96 Å²	96	106 Å²	106	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-59.8	-45	179.4	-69	166.1	0	0	0	112.5	E1016 M1017 R1022 E1023 E1024	E1016-L1020 PolarHBondContact O-N 3.47Å; M1017-L1020 PolarHBondContact O-N 3.04Å; L1020-R1022 PolarHBondContact O-N 3.49Å; L1020-E1023 PolarHBondContact O-N 3.29Å; L1020-E1023 VanDerWaalsContact O-N 3.08Å; L1020-E1024 PolarHBondContact O-N 3.36Å
1021	I	50.9	Low	48.8	Very low	90 Å²	90	105.5 Å²	105.5	46%	0.462	52%	0.518	S	S	.	.	H	α-helix	trans	-60.6	-32.9	176.2	-69.5	167.4	0	0	0	111.3	M1017 Y1019 N1025	M1017-I1021 WeakPolarHBondContact O-CB 3.19Å; M1017-I1021 WeakPolarHBondContact O-CD1 3.24Å; M1017-I1021 WeakPolarHBondContact O-CG1 3.39Å; M1017-I1021 PolarHBondContact O-N 3.39Å; Y1019-I1021 PolarHBondContact O-N 3.1Å; I1021-N1025 WeakPolarHBondContact O-CB 3.28Å; I1021-N1025 PolarHBondContact O-N 3.09Å; I1021-N1025 PolarHBondContact O-ND2 3.49Å
1022	R	49.8	Very low	48.7	Very low	182 Å²	182	106.9 Å²	106.9	69%	0.687	52%	0.515	S	S	*	.	H	α-helix	trans	-72.6	-34.7	176	-78.6	172.7	174.6	-175.4	0.6	112.4	I1018 Y1019 L1020 L1026	I1018-R1022 WeakPolarHBondContact O-CD 3.37Å; I1018-R1022 VanDerWaalsContact O-CG 3.25Å; I1018-R1022 WeakPolarHBondContact O-CG 3.27Å; I1018-R1022 PolarHBondContact O-N 3.04Å; Y1019-R1022 WeakPolarHBondContact O-CB 3.27Å; Y1019-R1022 PolarHBondContact O-N 3.39Å; L1020-R1022 PolarHBondContact O-N 3.49Å; R1022-L1026 PolarHBondContact O-N 2.91Å
1023	E	52.8	Low	48.4	Very low	118 Å²	118	106.9 Å²	106.9	55%	0.551	52%	0.515	S	S	*	.	H	α-helix	trans	-72	-46.6	179.9	-153.6	175.2	-157.8	0	0	111.7	Y1019 L1020 N1025 L1026 S1027	Y1019-E1023 PolarHBondContact O-N 2.87Å; Y1019-E1023 VanDerWaalsContact O-N 3.12Å; L1020-E1023 PolarHBondContact O-N 3.29Å; L1020-E1023 VanDerWaalsContact O-N 3.08Å; E1023-N1025 PolarHBondContact O-N 3.39Å; E1023-L1026 WeakPolarHBondContact O-CB 3.37Å; E1023-L1026 PolarHBondContact O-N 2.99Å; E1023-L1026 VanDerWaalsContact O-N 3.15Å; E1023-S1027 PolarHBondContact O-N 3.28Å
1024	E	53.4	Low	48.1	Very low	124 Å²	124	109.4 Å²	109.4	58%	0.579	53%	0.526	S	S	*	.	H	α-helix	trans	-58.4	-46.1	175.5	-74.8	-166	127.9	0	0	112.2	L1020 L1026 S1027 L1028	L1020-E1024 PolarHBondContact O-N 3.36Å; E1024-L1026 VanDerWaalsContact C-N 3.26Å; E1024-L1026 PolarHBondContact O-N 2.89Å; E1024-S1027 PolarHBondContact O-N 2.9Å; E1024-S1027 VanDerWaalsContact O-N 3.13Å; E1024-S1027 PolarHBondContact O-OG 3.21Å; E1024-L1028 PolarHBondContact O-N 3.44Å; E1024-L1028 VanDerWaalsContact O-N 3.08Å
1025	N	51.7	Low	47.9	Very low	95 Å²	95	109.5 Å²	109.5	51%	0.508	53%	0.531	S	S	.	.	H	α-helix	trans	-63.4	-29.7	179	-83.9	-63.7	0	0	0	112.8	I1021 E1023 A1029	I1021-N1025 WeakPolarHBondContact O-CB 3.28Å; I1021-N1025 PolarHBondContact O-N 3.09Å; I1021-N1025 PolarHBondContact O-ND2 3.49Å; E1023-N1025 PolarHBondContact O-N 3.39Å; N1025-A1029 VanDerWaalsContact O-CB 3.3Å; N1025-A1029 WeakPolarHBondContact O-CB 3.4Å; N1025-A1029 PolarHBondContact O-N 3.31Å
1026	L	49.5	Very low	47.6	Very low	108 Å²	108	107.1 Å²	107.1	57%	0.565	53%	0.527	S	S	*	.	H	α-helix	trans	-66.3	-41.8	174.4	-148.6	89.1	0	0	0	111.1	R1022 E1023 E1024 A1029 Q1030	R1022-L1026 PolarHBondContact O-N 2.91Å; E1023-L1026 WeakPolarHBondContact O-CB 3.37Å; E1023-L1026 PolarHBondContact O-N 2.99Å; E1023-L1026 VanDerWaalsContact O-N 3.15Å; E1024-L1026 VanDerWaalsContact C-N 3.26Å; E1024-L1026 PolarHBondContact O-N 2.89Å; L1026-A1029 PolarHBondContact O-N 2.88Å; L1026-Q1030 WeakPolarHBondContact O-CG 3.27Å; L1026-Q1030 PolarHBondContact O-N 3.08Å
1027	S	48.4	Very low	47.1	Very low	50 Å²	50	105.5 Å²	105.5	35%	0.35	53%	0.528	S	S	.	.	H	α-helix	trans	-67.3	-37.5	178.2	86.3	0	0	0	0	112.6	E1023 E1024 K1031	E1023-S1027 PolarHBondContact O-N 3.28Å; E1024-S1027 PolarHBondContact O-N 2.9Å; E1024-S1027 VanDerWaalsContact O-N 3.13Å; E1024-S1027 PolarHBondContact O-OG 3.21Å; S1027-K1031 WeakPolarHBondContact O-CG 3.34Å; S1027-K1031 PolarHBondContact O-N 3.46Å; S1027-K1031 VanDerWaalsContact O-N 3.07Å
1028	L	48.1	Very low	47	Very low	94 Å²	94	114 Å²	114	49%	0.492	56%	0.558	S	S	.	*	H	α-helix	trans	-69.2	-41.2	175.2	-91.1	155.7	0	0	0	111.6	E1024 K1031 L1032	E1024-L1028 PolarHBondContact O-N 3.44Å; E1024-L1028 VanDerWaalsContact O-N 3.08Å; L1028-K1031 PolarHBondContact O-N 3.29Å; L1028-L1032 WeakPolarHBondContact O-CB 3.18Å; L1028-L1032 PolarHBondContact O-N 2.94Å
1029	A	47.2	Very low	46.7	Very low	53 Å²	53	119 Å²	119	44%	0.438	57%	0.571	S	S	.	*	H	α-helix	trans	-61	-45.1	174.5	0	0	0	0	0	111.8	N1025 L1026 L1032 E1033	N1025-A1029 VanDerWaalsContact O-CB 3.3Å; N1025-A1029 WeakPolarHBondContact O-CB 3.4Å; N1025-A1029 PolarHBondContact O-N 3.31Å; L1026-A1029 PolarHBondContact O-N 2.88Å; A1029-L1032 PolarHBondContact O-N 3.12Å; A1029-E1033 WeakPolarHBondContact O-CB 3.25Å; A1029-E1033 PolarHBondContact O-N 3.31Å
1030	Q	45.3	Very low	46.2	Very low	107 Å²	107	116.2 Å²	116.2	50%	0.5	58%	0.578	S	S	.	*	H	α-helix	trans	-66.6	-36.3	177.8	-71.9	176.1	-4.5	0	0	113.1	L1026 E1033 M1034	L1026-Q1030 WeakPolarHBondContact O-CG 3.27Å; L1026-Q1030 PolarHBondContact O-N 3.08Å; Q1030-E1033 PolarHBondContact O-N 2.65Å; Q1030-M1034 PolarHBondContact O-N 2.92Å
1031	K	48.9	Very low	46.1	Very low	134 Å²	134	117.2 Å²	117.2	58%	0.583	59%	0.59	S	S	*	*	H	α-helix	trans	-65.5	-43.5	172.2	-75.5	170.1	-178.7	168.6	0	111.6	S1027 L1028 M1034 E1035	S1027-K1031 WeakPolarHBondContact O-CG 3.34Å; S1027-K1031 PolarHBondContact O-N 3.46Å; S1027-K1031 VanDerWaalsContact O-N 3.07Å; L1028-K1031 PolarHBondContact O-N 3.29Å; K1031-M1034 PolarHBondContact O-N 2.93Å; K1031-E1035 PolarHBondContact O-N 3.44Å
1032	L	44.4	Very low	46	Very low	105 Å²	105	119.2 Å²	119.2	55%	0.55	60%	0.601	S	S	.	*	H	α-helix	trans	-63.2	-39.4	174	-84.7	159.8	0	0	0	112.1	L1028 A1029 E1035 V1036	L1028-L1032 WeakPolarHBondContact O-CB 3.18Å; L1028-L1032 PolarHBondContact O-N 2.94Å; A1029-L1032 PolarHBondContact O-N 3.12Å; L1032-E1035 PolarHBondContact O-N 3.34Å; L1032-V1036 VanDerWaalsContact O-CB 3.28Å; L1032-V1036 WeakPolarHBondContact O-CB 3.22Å; L1032-V1036 WeakPolarHBondContact O-CG2 3.33Å; L1032-V1036 PolarHBondContact O-N 3.11Å
1033	E	40.8	Very low	46	Very low	143 Å²	143	114.4 Å²	114.4	67%	0.668	59%	0.587	S	S	*	*	H	α-helix	trans	-66.9	-38.1	178.4	-163.9	167.1	-142.8	0	0	111.9	A1029 Q1030 S1037	A1029-E1033 WeakPolarHBondContact O-CB 3.25Å; A1029-E1033 PolarHBondContact O-N 3.31Å; Q1030-E1033 PolarHBondContact O-N 2.65Å; E1033-S1037 WeakPolarHBondContact O-CB 3.25Å; E1033-S1037 PolarHBondContact O-N 3.48Å; E1033-S1037 PolarHBondContact O-OG 3.04Å
1034	M	40	Very low	46.1	Very low	130 Å²	130	116.5 Å²	116.5	64%	0.64	60%	0.597	S	S	*	*	H	α-helix	trans	-70	-34.2	170.9	-88.7	-171.5	-85	0	0	114.2	Q1030 K1031 S1037	Q1030-M1034 PolarHBondContact O-N 2.92Å; K1031-M1034 PolarHBondContact O-N 2.93Å; M1034-S1037 WeakPolarHBondContact CA-OG 3.49Å; M1034-S1037 PolarHBondContact O-OG 2.93Å
1035	E	44.3	Very low	46.3	Very low	126 Å²	126	114.8 Å²	114.8	59%	0.589	59%	0.591	S	S	*	*	H	α-helix	trans	-73.2	-36.8	173.8	-76.9	-126.3	141.8	0	0	112.7	K1031 L1032 R1038	K1031-E1035 PolarHBondContact O-N 3.44Å; L1032-E1035 PolarHBondContact O-N 3.34Å; E1035-R1038 PolarHBondContact O-N 3.22Å
1036	V	42.2	Very low	46.7	Very low	98 Å²	98	114 Å²	114	59%	0.594	59%	0.591	S	S	*	*	H	α-helix	trans	-72	-39.3	178.6	168.6	0	0	0	0	111.1	L1032 R1038 R1039	L1032-V1036 VanDerWaalsContact O-CB 3.28Å; L1032-V1036 WeakPolarHBondContact O-CB 3.22Å; L1032-V1036 WeakPolarHBondContact O-CG2 3.33Å; L1032-V1036 PolarHBondContact O-N 3.11Å; V1036-R1038 PolarHBondContact O-N 3.17Å; V1036-R1039 PolarHBondContact O-N 3.04Å
1037	S	38.4	Very low	47.5	Very low	86 Å²	86	112 Å²	112	60%	0.601	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-11.3	176.5	51.8	0	0	0	0	114.3	E1033 M1034	E1033-S1037 WeakPolarHBondContact O-CB 3.25Å; E1033-S1037 PolarHBondContact O-N 3.48Å; E1033-S1037 PolarHBondContact O-OG 3.04Å; M1034-S1037 WeakPolarHBondContact CA-OG 3.49Å; M1034-S1037 PolarHBondContact O-OG 2.93Å
1038	R	42.1	Very low	48.5	Very low	226 Å²	226	109.7 Å²	109.7	85%	0.853	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-1.3	167.1	-82.6	-177.5	166.2	177.8	-2.6	114.9	E1035 V1036	E1035-R1038 PolarHBondContact O-N 3.22Å; V1036-R1038 PolarHBondContact O-N 3.17Å
1039	R	43.6	Very low	49.5	Very low	191 Å²	191	108.2 Å²	108.2	72%	0.721	56%	0.557	S	S	*	*	S	Bend	trans	-101.9	18.2	-177.8	-67	-173.8	-176.8	-178.2	5.2	115.5	V1036	V1036-R1039 PolarHBondContact O-N 3.04Å
1040	A	40.3	Very low	50.5	Low	84 Å²	84	109.3 Å²	109.3	69%	0.694	56%	0.559	S	S	*	*			trans	-115.7	91.4	170	0	0	0	0	0	110
1041	P	46.6	Very low	51.7	Low	117 Å²	117	106.5 Å²	106.5	76%	0.76	55%	0.55	S	S	*	*	S	Bend		-146.5	80.9	104.7	36.5	-18.7	0	0	0	112.7
1042	L	48.4	Very low	52.4	Low	132 Å²	132	107.6 Å²	107.6	69%	0.691	56%	0.557	S	S	*	*			trans	-131.9	17.6	174	-72.6	173.7	0	0	0	113.3
1043	M	50.3	Low	53.5	Low	81 Å²	81	107.7 Å²	107.7	40%	0.399	56%	0.555	S	S	.	*			trans	-122.3	123.9	174	-65.4	-175.9	64.8	0	0	109.4	M1055 V1061 G1065 F1067	M1043-M1055 HydrophobicContact CE-SD 3.82Å; M1043-M1055 HydrophobicContact SD-SD 4.39Å; M1043-V1061 HydrophobicContact CE-CG2 4.02Å; M1043-V1061 HydrophobicContact CG-CG1 4.24Å; M1043-V1061 HydrophobicContact SD-CG2 4.26Å; M1043-G1065 WeakPolarHBondContact CA-O 3.37Å; M1043-F1067 HydrophobicContact CE-CB 3.73Å; M1043-F1067 HydrophobicContact CE-CD2 4.48Å; M1043-F1067 HydrophobicContact CE-CG 4.32Å
1044	H	54.7	Low	54.4	Low	163 Å²	163	103.9 Å²	103.9	76%	0.755	54%	0.542	S	S	*	.	S	Bend	trans	-81.5	-20.4	178.5	-90.6	-47	0	0	0	113.1	G1065	H1044-G1065 PolarHBondContact N-O 3.26Å
1045	N	57	Low	55.3	Low	87 Å²	87	102.8 Å²	102.8	47%	0.465	54%	0.537	S	S	.	.			trans	-155.3	129.7	179	-143.7	-20.5	0	0	0	111.1	N1047	N1045-N1047 VanDerWaalsContact C-N 3.34Å
1046	P	60.2	Low	56	Low	79 Å²	79	102.4 Å²	102.4	51%	0.513	54%	0.535	S	S	.	.	S	Bend	trans	-84.5	-0.7	-177.4	33.6	-37.1	0	0	0	114.9	M1055	P1046-M1055 PolarHBondContact O-N 2.9Å
1047	N	66	Low	56.7	Low	65 Å²	65	102.2 Å²	102.2	35%	0.348	53%	0.526	S	S	.	.	B	Isolated β-bridge	trans	-98.1	147.3	179.2	-69.2	5.9	0	0	0	111.5	N1045 I1049 E1052	N1045-N1047 VanDerWaalsContact C-N 3.34Å; N1047-I1049 PolarHBondContact O-N 3.46Å; N1047-E1052 WeakPolarHBondContact CB-O 3.48Å; N1047-E1052 PolarHBondContact ND2-O 3.15Å; N1047-E1052 VanDerWaalsContact ND2-O 3.15Å
1048	C	70.3	Confident	57.5	Low	2 Å²	2	102.4 Å²	102.4	1%	0.014	53%	0.528	C	S	.	.	B	Isolated β-bridge	trans	-67.4	124.8	-179.9	172.8	0	0	0	0	111.5	T1050 C1051 E1052 Q1053 F1067 H1069	C1048-T1050 PolarHBondContact O-N 2.92Å; C1048-C1051 PolarHBondContact O-N 3.42Å; C1048-E1052 WeakPolarHBondContact O-CA 3.31Å; C1048-E1052 PolarHBondContact O-N 2.73Å; C1048-Q1053 WeakPolarHBondContact CB-O 3.32Å; C1048-Q1053 PolarHBondContact N-O 3.33Å; C1048-F1067 WeakPolarHBondContact CA-O 3.42Å; C1048-F1067 HydrophobicContact CB-CD1 4.12Å; C1048-F1067 HydrophobicContact CB-CE1 4.04Å; C1048-H1069 WeakPolarHBondContact CB-CE1 3.37Å; C1048-H1069 VanDerWaalsContact CB-ND1 3.27Å; C1048-H1069 WeakPolarHBondContact CB-ND1 3.34Å; C1048-H1069 PolarHBondContact SG-N 2.96Å; C1048-H1069 PolarHBondContact SG-ND1 3.38Å; C1048-H1069 VanDerWaalsContact SG-ND1 3.44Å
1049	I	69.1	Low	58.6	Low	64 Å²	64	92.9 Å²	92.9	33%	0.328	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-9.2	-177.8	60	156.1	0	0	0	115.6	N1047 H1066 F1067 Q1068	N1047-I1049 PolarHBondContact O-N 3.46Å; I1049-H1066 HydrophobicContact CG2-CB 3.97Å; I1049-F1067 PolarHBondContact N-O 2.87Å; I1049-Q1068 HydrophobicContact CG1-CB 3.99Å; I1049-Q1068 HydrophobicContact CG1-CG 4.1Å
1050	T	66.8	Low	59.6	Low	76 Å²	76	86.4 Å²	86.4	47%	0.466	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-23.4	-173.6	-48.9	0	0	0	0	113.8	C1048 Q1068 C1072	C1048-T1050 PolarHBondContact O-N 2.92Å; T1050-Q1068 PolarHBondContact OG1-NE2 2.92Å; T1050-C1072 HydrophobicContact CG2-CB 4.17Å
1051	C	70.9	Confident	60.6	Low	48 Å²	48	86 Å²	86	32%	0.324	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	0.7	178.4	69.6	0	0	0	0	113.6	C1048 Q1053 H1069	C1048-C1051 PolarHBondContact O-N 3.42Å; C1051-Q1053 PolarHBondContact O-N 2.88Å; C1051-H1069 PolarHBondContact SG-ND1 3Å
1052	E	64.9	Low	61.5	Low	156 Å²	156	81.7 Å²	81.7	73%	0.729	43%	0.434	S	S	*	.			trans	58.2	4.8	178.7	-57.6	-174.7	163.3	0	0	115.8	N1047 C1048	N1047-E1052 WeakPolarHBondContact CB-O 3.48Å; N1047-E1052 PolarHBondContact ND2-O 3.15Å; N1047-E1052 VanDerWaalsContact ND2-O 3.15Å; C1048-E1052 WeakPolarHBondContact O-CA 3.31Å; C1048-E1052 PolarHBondContact O-N 2.73Å
1053	Q	65.8	Low	61.9	Low	108 Å²	108	85.6 Å²	85.6	51%	0.505	44%	0.439	S	S	.	.			trans	-78.5	148.1	176.1	-64.4	-60.2	-48.8	0	0	112	C1048 C1051 H1069	C1048-Q1053 WeakPolarHBondContact CB-O 3.32Å; C1048-Q1053 PolarHBondContact N-O 3.33Å; C1051-Q1053 PolarHBondContact O-N 2.88Å; Q1053-H1069 PolarHBondContact O-CE1 2.7Å
1054	P	61.4	Low	62.5	Low	62 Å²	62	83 Å²	83	40%	0.403	43%	0.429	S	S	.	.	B	Isolated β-bridge	trans	-69.4	171.8	-177.5	28.2	-36.1	0	0	0	113.8	H1056 H1069	P1054-H1056 VanDerWaalsContact C-N 3.29Å; P1054-H1056 PolarHBondContact O-N 3.3Å; P1054-H1056 PolarHBondContact O-ND1 2.91Å; P1054-H1069 PolarHBondContact O-NE2 2.86Å
1055	M	58.5	Low	62.8	Low	108 Å²	108	75.6 Å²	75.6	53%	0.532	40%	0.397	S	S	.	.	S	Bend	trans	-64.2	76.2	172.8	-89.3	-165.3	74.2	0	0	113.8	M1043 P1046 F1067	M1043-M1055 HydrophobicContact CE-SD 3.82Å; M1043-M1055 HydrophobicContact SD-SD 4.39Å; P1046-M1055 PolarHBondContact O-N 2.9Å; M1055-F1067 HydrophobicContact CB-CE1 4.44Å; M1055-F1067 HydrophobicContact CB-CZ 4.43Å; M1055-F1067 HydrophobicContact CE-CD2 4.37Å; M1055-F1067 HydrophobicContact CE-CE2 3.92Å; M1055-F1067 HydrophobicContact CE-CZ 4.48Å; M1055-F1067 HydrophobicContact CG-CD1 3.68Å; M1055-F1067 HydrophobicContact CG-CD2 3.79Å; M1055-F1067 HydrophobicContact CG-CE1 3.45Å; M1055-F1067 VanDerWaalsContact CG-CE1 3.45Å; M1055-F1067 HydrophobicContact CG-CE2 3.53Å; M1055-F1067 HydrophobicContact CG-CG 3.87Å; M1055-F1067 HydrophobicContact CG-CZ 3.39Å; M1055-F1067 HydrophobicContact SD-CD2 3.79Å; M1055-F1067 HydrophobicContact SD-CE2 3.82Å; M1055-F1067 HydrophobicContact SD-CG 4.2Å; M1055-F1067 HydrophobicContact SD-CZ 4.31Å
1056	H	58.2	Low	63.3	Low	117 Å²	117	74 Å²	74	54%	0.542	39%	0.387	S	S	.	.	S	Bend	trans	-113.6	-0.7	171.9	69.4	-77.2	0	0	0	113.2	P1054 H1069	P1054-H1056 VanDerWaalsContact C-N 3.29Å; P1054-H1056 PolarHBondContact O-N 3.3Å; P1054-H1056 PolarHBondContact O-ND1 2.91Å; H1056-H1069 AromaticContact CE1-NE2 3.99Å; H1056-H1069 AromaticContact ND1-NE2 3.95Å
1057	K	56.9	Low	63.8	Low	94 Å²	94	70.3 Å²	70.3	41%	0.409	36%	0.363	S	S	.	.	S	Bend	trans	-141.2	158.6	177.7	-75.6	-175.1	173.8	-156.5	0	110	E1071	K1057-E1071 IonicContact NZ-OE1 2.74Å; K1057-E1071 PolarHBondContact NZ-OE1 2.91Å; K1057-E1071 IonicContact NZ-OE2 2.69Å; K1057-E1071 PolarHBondContact NZ-OE2 3.28Å
1058	S	55.1	Low	64.1	Low	90 Å²	90	68 Å²	68	63%	0.629	35%	0.35	S	S	*	.			trans	-60	138.4	176.4	44.2	0	0	0	0	112.3	I1070	S1058-I1070 PolarHBondContact O-N 3.25Å
1059	G	65.3	Low	64.3	Low	26 Å²	26	68.1 Å²	68.1	27%	0.268	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	162.9	-173.1	0	0	0	0	0	112.8	F1067 Q1068	G1059-F1067 VanDerWaalsContact CA-CE2 3.45Å; G1059-Q1068 CarbonylContact C-O 3.56Å; G1059-Q1068 VanDerWaalsContact C-O 3.31Å; G1059-Q1068 WeakPolarHBondContact CA-O 3.28Å
1060	Y	64.9	Low	64.2	Low	55 Å²	55	68.5 Å²	68.5	22%	0.216	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	134.9	172.4	-56.5	-68.1	0	0	0	109.6	F1062 F1067 Q1068 I1070 R1078	Y1060-F1062 HydrophobicContact CD2-CZ 4.49Å; Y1060-F1062 HydrophobicContact CG-CE1 4.41Å; Y1060-F1062 HydrophobicContact CG-CZ 4.41Å; Y1060-F1067 CarbonylContact O-C 3.39Å; Y1060-F1067 WeakPolarHBondContact O-CA 3.42Å; Y1060-Q1068 PolarHBondContact N-O 3.38Å; Y1060-Q1068 PolarHBondContact O-N 3.38Å; Y1060-I1070 HydrophobicContact CD2-CG1 4.24Å; Y1060-I1070 HydrophobicContact CE1-CG1 4.37Å; Y1060-I1070 HydrophobicContact CE2-CB 4.2Å; Y1060-I1070 HydrophobicContact CE2-CG1 3.81Å; Y1060-I1070 HydrophobicContact CE2-CG2 4.22Å; Y1060-R1078 PolarHBondContact OH-NE 2.97Å; Y1060-R1078 PolarHBondContact OH-NH1 3.35Å
1061	V	61.9	Low	64.1	Low	76 Å²	76	71.7 Å²	71.7	46%	0.461	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.8	164.8	-178.9	0	0	0	0	107.1	M1043 H1066 F1067	M1043-V1061 HydrophobicContact CE-CG2 4.02Å; M1043-V1061 HydrophobicContact CG-CG1 4.24Å; M1043-V1061 HydrophobicContact SD-CG2 4.26Å; V1061-H1066 WeakPolarHBondContact CA-O 3.28Å; V1061-F1067 HydrophobicContact CG2-CD2 3.91Å
1062	F	65.4	Low	63.8	Low	27 Å²	27	70.8 Å²	70.8	12%	0.118	36%	0.355	C	S	.	.			trans	-92.3	160.8	-174.9	-58.5	-66.7	0	0	0	112.1	Y1060 C1064 G1065 H1066 Q1068 R1078 C1080	Y1060-F1062 HydrophobicContact CD2-CZ 4.49Å; Y1060-F1062 HydrophobicContact CG-CE1 4.41Å; Y1060-F1062 HydrophobicContact CG-CZ 4.41Å; F1062-C1064 PolarHBondContact O-N 3.33Å; F1062-G1065 PolarHBondContact O-N 2.93Å; F1062-H1066 PolarHBondContact N-O 2.98Å; F1062-Q1068 HydrophobicContact CE2-CB 3.79Å; F1062-Q1068 HydrophobicContact CZ-CB 4.38Å; F1062-R1078 WeakPolarHBondContact CE1-O 3.44Å; F1062-C1080 HydrophobicContact CB-CB 3.73Å; F1062-C1080 HydrophobicContact CD1-CB 4.43Å; F1062-C1080 HydrophobicContact CD2-CB 3.45Å; F1062-C1080 VanDerWaalsContact CD2-CB 3.45Å; F1062-C1080 HydrophobicContact CE2-CB 4.11Å; F1062-C1080 HydrophobicContact CG-CB 3.62Å
1063	R	56.8	Low	63.6	Low	213 Å²	213	64.7 Å²	64.7	80%	0.804	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-13.8	-178.7	-70	-175.4	177.7	176.8	-1.6	115.1	G1065	R1063-G1065 VanDerWaalsContact C-N 3.33Å
1064	C	61.6	Low	63.1	Low	26 Å²	26	66 Å²	66	18%	0.176	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	12.1	170.1	69.8	0	0	0	0	113.9	F1062 H1066 C1080 C1082	F1062-C1064 PolarHBondContact O-N 3.33Å; C1064-H1066 PolarHBondContact O-N 3.43Å; C1064-H1066 PolarHBondContact O-ND1 3.19Å; C1064-H1066 PolarHBondContact SG-ND1 3Å; C1064-C1080 VanDerWaalsContact SG-SG 3.61Å; C1064-C1082 HydrophobicContact CB-CB 4.34Å; C1064-C1082 WeakPolarHBondContact CB-SG 3.42Å; C1064-C1082 WeakPolarHBondContact SG-CB 3.44Å; C1064-C1082 CovalentContact SG-SG 2.06Å; C1064-C1082 PolarHBondContact SG-SG 3.27Å
1065	G	61.6	Low	62.7	Low	9 Å²	9	67.2 Å²	67.2	9%	0.093	35%	0.349	C	S	.	.	S	Bend	trans	79.6	10.7	175	0	0	0	0	0	115.8	M1043 H1044 F1062 R1063	M1043-G1065 WeakPolarHBondContact CA-O 3.37Å; H1044-G1065 PolarHBondContact N-O 3.26Å; F1062-G1065 PolarHBondContact O-N 2.93Å; R1063-G1065 VanDerWaalsContact C-N 3.33Å
1066	H	67.6	Low	62.3	Low	53 Å²	53	69.6 Å²	69.6	25%	0.245	36%	0.362	C	S	.	.			trans	-102.2	149.9	-178.6	-69.4	110.8	0	0	0	113	I1049 V1061 F1062 C1064	I1049-H1066 HydrophobicContact CG2-CB 3.97Å; V1061-H1066 WeakPolarHBondContact CA-O 3.28Å; F1062-H1066 PolarHBondContact N-O 2.98Å; C1064-H1066 PolarHBondContact O-N 3.43Å; C1064-H1066 PolarHBondContact O-ND1 3.19Å; C1064-H1066 PolarHBondContact SG-ND1 3Å
1067	F	70.6	Confident	62	Low	1 Å²	1	70.3 Å²	70.3	0%	0.004	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	144.8	-177.7	172.2	-101.2	0	0	0	112.9	M1043 C1048 I1049 M1055 G1059 Y1060 V1061 H1069	M1043-F1067 HydrophobicContact CE-CB 3.73Å; M1043-F1067 HydrophobicContact CE-CD2 4.48Å; M1043-F1067 HydrophobicContact CE-CG 4.32Å; C1048-F1067 WeakPolarHBondContact CA-O 3.42Å; C1048-F1067 HydrophobicContact CB-CD1 4.12Å; C1048-F1067 HydrophobicContact CB-CE1 4.04Å; I1049-F1067 PolarHBondContact N-O 2.87Å; M1055-F1067 HydrophobicContact CB-CE1 4.44Å; M1055-F1067 HydrophobicContact CB-CZ 4.43Å; M1055-F1067 HydrophobicContact CE-CD2 4.37Å; M1055-F1067 HydrophobicContact CE-CE2 3.92Å; M1055-F1067 HydrophobicContact CE-CZ 4.48Å; M1055-F1067 HydrophobicContact CG-CD1 3.68Å; M1055-F1067 HydrophobicContact CG-CD2 3.79Å; M1055-F1067 HydrophobicContact CG-CE1 3.45Å; M1055-F1067 VanDerWaalsContact CG-CE1 3.45Å; M1055-F1067 HydrophobicContact CG-CE2 3.53Å; M1055-F1067 HydrophobicContact CG-CG 3.87Å; M1055-F1067 HydrophobicContact CG-CZ 3.39Å; M1055-F1067 HydrophobicContact SD-CD2 3.79Å; M1055-F1067 HydrophobicContact SD-CE2 3.82Å; M1055-F1067 HydrophobicContact SD-CG 4.2Å; M1055-F1067 HydrophobicContact SD-CZ 4.31Å; G1059-F1067 VanDerWaalsContact CA-CE2 3.45Å; Y1060-F1067 CarbonylContact O-C 3.39Å; Y1060-F1067 WeakPolarHBondContact O-CA 3.42Å; V1061-F1067 HydrophobicContact CG2-CD2 3.91Å; F1067-H1069 AromaticContact CE1-CD2 3.57Å; F1067-H1069 AromaticContact CE1-NE2 3.58Å; F1067-H1069 AromaticContact CZ-CD2 3.52Å; F1067-H1069 AromaticContact CZ-NE2 3.93Å
1068	Q	73.2	Confident	62	Low	16 Å²	16	72.9 Å²	72.9	8%	0.075	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	130.6	173.7	-169.7	-172.9	40.8	0	0	110.6	I1049 T1050 G1059 Y1060 F1062 C1072 S1073	I1049-Q1068 HydrophobicContact CG1-CB 3.99Å; I1049-Q1068 HydrophobicContact CG1-CG 4.1Å; T1050-Q1068 PolarHBondContact OG1-NE2 2.92Å; G1059-Q1068 CarbonylContact C-O 3.56Å; G1059-Q1068 VanDerWaalsContact C-O 3.31Å; G1059-Q1068 WeakPolarHBondContact CA-O 3.28Å; Y1060-Q1068 PolarHBondContact N-O 3.38Å; Y1060-Q1068 PolarHBondContact O-N 3.38Å; F1062-Q1068 HydrophobicContact CE2-CB 3.79Å; F1062-Q1068 HydrophobicContact CZ-CB 4.38Å; Q1068-C1072 HydrophobicContact CG-CB 4.39Å; Q1068-C1072 PolarHBondContact NE2-O 3.32Å; Q1068-S1073 PolarHBondContact OE1-OG 3.29Å
1069	H	73.4	Confident	62.2	Low	5 Å²	5	72.5 Å²	72.5	2%	0.023	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	144	172.1	-57.8	117.1	0	0	0	111.2	C1048 C1051 Q1053 P1054 H1056 F1067 E1071 C1072 S1073	C1048-H1069 WeakPolarHBondContact CB-CE1 3.37Å; C1048-H1069 VanDerWaalsContact CB-ND1 3.27Å; C1048-H1069 WeakPolarHBondContact CB-ND1 3.34Å; C1048-H1069 PolarHBondContact SG-N 2.96Å; C1048-H1069 PolarHBondContact SG-ND1 3.38Å; C1048-H1069 VanDerWaalsContact SG-ND1 3.44Å; C1051-H1069 PolarHBondContact SG-ND1 3Å; Q1053-H1069 PolarHBondContact O-CE1 2.7Å; P1054-H1069 PolarHBondContact O-NE2 2.86Å; H1056-H1069 AromaticContact CE1-NE2 3.99Å; H1056-H1069 AromaticContact ND1-NE2 3.95Å; F1067-H1069 AromaticContact CE1-CD2 3.57Å; F1067-H1069 AromaticContact CE1-NE2 3.58Å; F1067-H1069 AromaticContact CZ-CD2 3.52Å; F1067-H1069 AromaticContact CZ-NE2 3.93Å; H1069-E1071 PolarHBondContact O-N 3.19Å; H1069-C1072 HydrophobicContact CB-CB 4.35Å; H1069-C1072 PolarHBondContact O-N 2.89Å; H1069-S1073 PolarHBondContact O-N 3.1Å
1070	I	67.9	Low	61.8	Low	73 Å²	73	72.4 Å²	72.4	37%	0.374	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-57.1	-41.2	-179.9	-67.3	173	0	0	0	110.8	S1058 Y1060 C1072 S1073	S1058-I1070 PolarHBondContact O-N 3.25Å; Y1060-I1070 HydrophobicContact CD2-CG1 4.24Å; Y1060-I1070 HydrophobicContact CE1-CG1 4.37Å; Y1060-I1070 HydrophobicContact CE2-CB 4.2Å; Y1060-I1070 HydrophobicContact CE2-CG1 3.81Å; Y1060-I1070 HydrophobicContact CE2-CG2 4.22Å; I1070-C1072 PolarHBondContact O-N 3.16Å; I1070-S1073 PolarHBondContact O-N 3.21Å
1071	E	64.4	Low	61.5	Low	142 Å²	142	75.4 Å²	75.4	66%	0.664	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-64.8	-23.9	179.1	-62.3	172.4	-167.9	0	0	113.5	K1057 H1069	K1057-E1071 IonicContact NZ-OE1 2.74Å; K1057-E1071 PolarHBondContact NZ-OE1 2.91Å; K1057-E1071 IonicContact NZ-OE2 2.69Å; K1057-E1071 PolarHBondContact NZ-OE2 3.28Å; H1069-E1071 PolarHBondContact O-N 3.19Å
1072	C	63.8	Low	61.3	Low	29 Å²	29	73.6 Å²	73.6	20%	0.196	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-93	-2	-179.7	-59.6	0	0	0	0	113.2	T1050 Q1068 H1069 I1070 T1074	T1050-C1072 HydrophobicContact CG2-CB 4.17Å; Q1068-C1072 HydrophobicContact CG-CB 4.39Å; Q1068-C1072 PolarHBondContact NE2-O 3.32Å; H1069-C1072 HydrophobicContact CB-CB 4.35Å; H1069-C1072 PolarHBondContact O-N 2.89Å; I1070-C1072 PolarHBondContact O-N 3.16Å; C1072-T1074 PolarHBondContact O-N 3.41Å
1073	S	61.8	Low	60.8	Low	28 Å²	28	80.9 Å²	80.9	20%	0.196	42%	0.421	C	S	.	.			trans	-85.1	93.5	-178.9	-152.1	0	0	0	0	110.7	Q1068 H1069 I1070 N1075	Q1068-S1073 PolarHBondContact OE1-OG 3.29Å; H1069-S1073 PolarHBondContact O-N 3.1Å; I1070-S1073 PolarHBondContact O-N 3.21Å; S1073-N1075 VanDerWaalsContact C-N 3.31Å
1074	T	54.4	Low	60.4	Low	136 Å²	136	72.7 Å²	72.7	83%	0.834	40%	0.403	S	S	*	.			trans	-83.8	-3.1	178.2	51.1	0	0	0	0	113.9	C1072	C1072-T1074 PolarHBondContact O-N 3.41Å
1075	N	53.5	Low	59.7	Low	88 Å²	88	79.1 Å²	79.1	47%	0.471	43%	0.434	S	S	.	.			trans	-109.4	125.3	-172.4	-145.8	3	0	0	0	111.5	S1073 D1077 R1078	S1073-N1075 VanDerWaalsContact C-N 3.31Å; N1075-D1077 VanDerWaalsContact C-N 3.33Å; N1075-D1077 PolarHBondContact O-N 2.92Å; N1075-R1078 PolarHBondContact O-N 3.46Å
1076	I	50.5	Low	58.8	Low	158 Å²	158	82.9 Å²	82.9	81%	0.81	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-35.6	-164.2	-66.5	168.9	0	0	0	112.6	R1078	I1076-R1078 VanDerWaalsContact C-N 3.27Å; I1076-R1078 PolarHBondContact O-N 3.11Å
1077	D	50.4	Low	57.6	Low	131 Å²	131	86.2 Å²	86.2	70%	0.701	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.2	-175.1	-62.5	-31.3	0	0	0	114.1	N1075 T1079	N1075-D1077 VanDerWaalsContact C-N 3.33Å; N1075-D1077 PolarHBondContact O-N 2.92Å; D1077-T1079 VanDerWaalsContact C-N 3.32Å; D1077-T1079 HydrophobicContact CB-CG2 4.46Å; D1077-T1079 PolarHBondContact O-N 3.38Å
1078	R	58.6	Low	56.3	Low	149 Å²	149	97.2 Å²	97.2	56%	0.562	52%	0.517	S	S	*	.			trans	50.1	50.2	178.2	-55.2	177.9	-174.3	-177	-1.6	112.6	Y1060 F1062 N1075 I1076	Y1060-R1078 PolarHBondContact OH-NE 2.97Å; Y1060-R1078 PolarHBondContact OH-NH1 3.35Å; F1062-R1078 WeakPolarHBondContact CE1-O 3.44Å; N1075-R1078 PolarHBondContact O-N 3.46Å; I1076-R1078 VanDerWaalsContact C-N 3.27Å; I1076-R1078 PolarHBondContact O-N 3.11Å
1079	T	58.1	Low	54.8	Low	82 Å²	82	103.8 Å²	103.8	50%	0.503	55%	0.552	S	S	.	*			trans	-106.8	145.3	173.7	49.8	0	0	0	0	110.4	D1077	D1077-T1079 VanDerWaalsContact C-N 3.32Å; D1077-T1079 HydrophobicContact CB-CG2 4.46Å; D1077-T1079 PolarHBondContact O-N 3.38Å
1080	C	57.4	Low	53.1	Low	23 Å²	23	108.2 Å²	108.2	16%	0.155	58%	0.579	C	S	.	*			trans	-75.8	139	174.6	-165.4	0	0	0	0	110	F1062 C1064 C1082	F1062-C1080 HydrophobicContact CB-CB 3.73Å; F1062-C1080 HydrophobicContact CD1-CB 4.43Å; F1062-C1080 HydrophobicContact CD2-CB 3.45Å; F1062-C1080 VanDerWaalsContact CD2-CB 3.45Å; F1062-C1080 HydrophobicContact CE2-CB 4.11Å; F1062-C1080 HydrophobicContact CG-CB 3.62Å; C1064-C1080 VanDerWaalsContact SG-SG 3.61Å; C1080-C1082 HydrophobicContact CB-CB 4.45Å; C1080-C1082 VanDerWaalsContact CB-SG 3.54Å; C1080-C1082 PolarHBondContact O-N 3.19Å
1081	T	58.4	Low	51.6	Low	118 Å²	118	110.9 Å²	110.9	72%	0.724	60%	0.599	S	S	*	*			trans	-79.8	31	173.6	57.1	0	0	0	0	112.5
1082	C	58	Low	50.4	Low	38 Å²	38	109.6 Å²	109.6	26%	0.257	60%	0.603	S	S	.	*			trans	-89.2	125.2	174.7	60.5	0	0	0	0	108.3	C1064 C1080 G1084	C1064-C1082 HydrophobicContact CB-CB 4.34Å; C1064-C1082 WeakPolarHBondContact CB-SG 3.42Å; C1064-C1082 WeakPolarHBondContact SG-CB 3.44Å; C1064-C1082 CovalentContact SG-SG 2.06Å; C1064-C1082 PolarHBondContact SG-SG 3.27Å; C1080-C1082 HydrophobicContact CB-CB 4.45Å; C1080-C1082 VanDerWaalsContact CB-SG 3.54Å; C1080-C1082 PolarHBondContact O-N 3.19Å; C1082-G1084 PolarHBondContact O-N 2.91Å
1083	D	53.8	Low	48.9	Very low	181 Å²	181	119.6 Å²	119.6	97%	0.968	64%	0.636	S	S	*	*			trans	-74.1	28	169.8	-70.4	-35.2	0	0	0	112.2
1084	G	48.2	Very low	47.5	Very low	41 Å²	41	127.4 Å²	127.4	42%	0.423	67%	0.67	S	S	.	*	P	Polyproline II helix	trans	-94.2	127.8	-171.3	0	0	0	0	0	113	C1082	C1082-G1084 PolarHBondContact O-N 2.91Å
1085	I	47.6	Very low	46.6	Very low	161 Å²	161	128.2 Å²	128.2	83%	0.826	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-63.1	133.1	-179	-60	163.6	0	0	0	110.4	D1087	I1085-D1087 PolarHBondContact O-N 3.27Å
1086	P	42.5	Very low	45.6	Very low	88 Å²	88	130.4 Å²	130.4	57%	0.571	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-74.1	126.6	-178.4	28.7	-34.6	0	0	0	112.5
1087	D	41.9	Very low	45.1	Very low	123 Å²	123	128.1 Å²	128.1	66%	0.658	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-77.3	146.4	177.6	-158.5	-11.7	0	0	0	112	I1085	I1085-D1087 PolarHBondContact O-N 3.27Å
1088	R	44.3	Very low	44.5	Very low	232 Å²	232	130.2 Å²	130.2	88%	0.875	67%	0.668	S	S	*	*	S	Bend	trans	-89.4	1.9	-167.4	-73.5	-175.7	172.2	-176	-2.2	114.8	V1090	R1088-V1090 VanDerWaalsContact C-N 3.33Å; R1088-V1090 PolarHBondContact O-N 3.32Å
1089	L	41.7	Very low	43.2	Very low	153 Å²	153	129.5 Å²	129.5	80%	0.801	68%	0.683	S	S	*	*			trans	-87.5	17.1	-174	-72.7	165.5	0	0	0	115.2
1090	V	37.1	Very low	42.1	Very low	98 Å²	98	132.2 Å²	132.2	59%	0.594	69%	0.69	S	S	*	*			trans	-118	95.1	179.4	-174.5	0	0	0	0	112.4	R1088	R1088-V1090 VanDerWaalsContact C-N 3.33Å; R1088-V1090 PolarHBondContact O-N 3.32Å
1091	V	36.8	Very low	40.8	Very low	129 Å²	129	140.9 Å²	140.9	78%	0.782	73%	0.725	S	S	*	*			trans	-155.6	157.2	171.4	-134.8	0	0	0	0	106.3
1092	P	40.5	Very low	39.6	Very low	115 Å²	115	146.2 Å²	146.2	75%	0.747	73%	0.732	S	S	*	*			cis	-120.1	-148.9	2.7	35.7	-12.5	0	0	0	111.2
1093	R	31.7	Very low	38.9	Very low	240 Å²	240	149.1 Å²	149.1	91%	0.906	75%	0.745	S	S	*	*			cis	-154.3	173.1	4.1	-153.4	173	-175.5	171.9	2.2	110.8
1094	E	32.4	Very low	38.1	Very low	191 Å²	191	146.8 Å²	146.8	89%	0.893	73%	0.731	S	S	*	*			trans	-99.4	174.3	176.1	-63.8	177.3	131	0	0	114
1095	K	35.9	Very low	37.6	Very low	153 Å²	153	151.7 Å²	151.7	67%	0.665	74%	0.741	S	S	*	*			trans	-75.8	168.6	-174.7	-72.5	177.5	156	-163.6	0	115.2	D1097	K1095-D1097 WeakPolarHBondContact CD-OD2 3.43Å; K1095-D1097 WeakPolarHBondContact CE-OD1 3.45Å; K1095-D1097 IonicContact NZ-OD1 2.72Å; K1095-D1097 PolarHBondContact NZ-OD1 2.9Å; K1095-D1097 IonicContact NZ-OD2 3.52Å; K1095-D1097 PolarHBondContact NZ-OD2 3.25Å
1096	P	32.2	Very low	37.2	Very low	135 Å²	135	150.9 Å²	150.9	88%	0.877	73%	0.734	S	S	*	*				-123.4	162.4	103.8	35.6	-31.2	0	0	0	113.7
1097	D	38.8	Very low	36.9	Very low	110 Å²	110	154.4 Å²	154.4	59%	0.588	75%	0.747	S	S	*	*			trans	-98.3	154.8	-165.6	-100.2	-45.2	0	0	0	116.8	K1095	K1095-D1097 WeakPolarHBondContact CD-OD2 3.43Å; K1095-D1097 WeakPolarHBondContact CE-OD1 3.45Å; K1095-D1097 IonicContact NZ-OD1 2.72Å; K1095-D1097 PolarHBondContact NZ-OD1 2.9Å; K1095-D1097 IonicContact NZ-OD2 3.52Å; K1095-D1097 PolarHBondContact NZ-OD2 3.25Å
1098	R	39.2	Very low	36.3	Very low	175 Å²	175	158.3 Å²	158.3	66%	0.66	75%	0.753	S	S	*	*			trans	-32.1	157	175.7	-60.3	165.6	164.3	-149.3	-19.2	119.3	E1100	R1098-E1100 IonicContact CZ-OE1 2.8Å; R1098-E1100 IonicContact NH1-OE1 3.56Å; R1098-E1100 PolarHBondContact NH1-OE1 3.49Å; R1098-E1100 IonicContact NH1-OE2 2.76Å; R1098-E1100 PolarHBondContact NH1-OE2 3.29Å; R1098-E1100 VanDerWaalsContact NH1-OE2 3.08Å; R1098-E1100 IonicContact NH2-OE1 2.66Å; R1098-E1100 PolarHBondContact NH2-OE1 3.39Å
1099	P	30.6	Very low	36	Very low	134 Å²	134	154.2 Å²	154.2	87%	0.87	75%	0.749	S	S	*	*				-101.8	116.9	128.5	33.7	-25.9	0	0	0	111.4
1100	E	35.4	Very low	35.5	Very low	139 Å²	139	153.2 Å²	153.2	65%	0.65	75%	0.749	S	S	*	*			trans	-106.6	122.4	156.2	-108.2	177.7	-156.2	0	0	108	R1098	R1098-E1100 IonicContact CZ-OE1 2.8Å; R1098-E1100 IonicContact NH1-OE1 3.56Å; R1098-E1100 PolarHBondContact NH1-OE1 3.49Å; R1098-E1100 IonicContact NH1-OE2 2.76Å; R1098-E1100 PolarHBondContact NH1-OE2 3.29Å; R1098-E1100 VanDerWaalsContact NH1-OE2 3.08Å; R1098-E1100 IonicContact NH2-OE1 2.66Å; R1098-E1100 PolarHBondContact NH2-OE1 3.39Å
1101	K	29.6	Very low	35.6	Very low	204 Å²	204	157.7 Å²	157.7	89%	0.887	76%	0.761	S	S	*	*			trans	-134.3	92.1	159.2	-91.9	-168	179	175.1	0	112
1102	R	34.4	Very low	35.1	Very low	230 Å²	230	159.2 Å²	159.2	87%	0.868	76%	0.763	S	S	*	*			trans	54.9	115.1	136.9	-68.8	-174.8	173	178.1	-3.1	119	I1104	R1102-I1104 PolarHBondContact O-N 3.11Å
1103	N	42.6	Very low	34.5	Very low	99 Å²	99	160.1 Å²	160.1	53%	0.529	76%	0.762	S	S	.	*			trans	-42.3	123.3	150.3	-169.4	-6.4	0	0	0	112	F1105 E1106	N1103-F1105 PolarHBondContact OD1-N 3.27Å; N1103-E1106 WeakPolarHBondContact ND2-CB 3.43Å; N1103-E1106 WeakPolarHBondContact ND2-CG 3.44Å; N1103-E1106 PolarHBondContact ND2-OE2 3.1Å
1104	I	35.9	Very low	34.2	Very low	133 Å²	133	154.9 Å²	154.9	68%	0.682	76%	0.761	S	S	*	*	S	Bend	trans	-96	-5.4	-177.7	26.2	170.6	0	0	0	113.9	R1102	R1102-I1104 PolarHBondContact O-N 3.11Å
1105	F	38	Very low	33.9	Very low	143 Å²	143	155.6 Å²	155.6	63%	0.627	76%	0.755	S	S	*	*	S	Bend	trans	-116.2	-2.1	-174.3	-65.5	-69	0	0	0	115.1	N1103 N1107 W1108	N1103-F1105 PolarHBondContact OD1-N 3.27Å; F1105-N1107 PolarHBondContact O-N 2.89Å; F1105-W1108 HydrophobicContact CD1-CE3 4.33Å; F1105-W1108 HydrophobicContact CE1-CE3 4.34Å; F1105-W1108 PolarHBondContact O-N 3.02Å
1106	E	40.3	Very low	33.5	Very low	145 Å²	145	155.3 Å²	155.3	68%	0.678	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	1.6	-173.4	-134.3	169.9	163.2	0	0	115.7	N1103	N1103-E1106 WeakPolarHBondContact ND2-CB 3.43Å; N1103-E1106 WeakPolarHBondContact ND2-CG 3.44Å; N1103-E1106 PolarHBondContact ND2-OE2 3.1Å
1107	N	36.3	Very low	33.3	Very low	161 Å²	161	156.6 Å²	156.6	86%	0.861	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.2	26.7	175.1	-81.1	-72.1	0	0	0	113.7	F1105 D1109	F1105-N1107 PolarHBondContact O-N 2.89Å; N1107-D1109 VanDerWaalsContact C-N 3.3Å; N1107-D1109 PolarHBondContact O-N 3.43Å
1108	W	29.4	Very low	33.4	Very low	206 Å²	206	156.3 Å²	156.3	78%	0.78	76%	0.762	S	S	*	*			trans	-85.3	68.4	-179.6	-149.5	-52.1	0	0	0	113	F1105	F1105-W1108 HydrophobicContact CD1-CE3 4.33Å; F1105-W1108 HydrophobicContact CE1-CE3 4.34Å; F1105-W1108 PolarHBondContact O-N 3.02Å
1109	D	37.4	Very low	32.9	Very low	145 Å²	145	156.4 Å²	156.4	78%	0.775	77%	0.768	S	S	*	*			trans	-127.2	91.8	175.2	-143.8	-8.3	0	0	0	110.7	N1107	N1107-D1109 VanDerWaalsContact C-N 3.3Å; N1107-D1109 PolarHBondContact O-N 3.43Å
1110	T	30.8	Very low	33	Very low	133 Å²	133	156 Å²	156	82%	0.816	76%	0.758	S	S	*	*			trans	-159.7	129.3	159.7	9	0	0	0	0	111
1111	K	39.9	Very low	32.7	Very low	192 Å²	192	154.8 Å²	154.8	84%	0.835	77%	0.765	S	S	*	*			trans	-80.2	140.3	-179.7	-62	170.8	-178.5	176.2	0	111.5
1112	L	25.1	Very low	32.8	Very low	160 Å²	160	154.3 Å²	154.3	84%	0.838	79%	0.788	S	S	*	*			trans	-166.3	96.6	142.1	-108.8	162.5	0	0	0	114.5
1113	N	28.8	Very low	32.7	Very low	135 Å²	135	150.6 Å²	150.6	72%	0.722	78%	0.783	S	S	*	*			trans	33.1	122.8	140.8	-60.1	-17.7	0	0	0	122.8
1114	C	25.4	Very low	32.2	Very low	130 Å²	130	153.3 Å²	153.3	88%	0.878	80%	0.797	S	S	*	*				-138.7	95.4	127.1	-85.2	0	0	0	0	108
1115	R	26.6	Very low	32	Very low	205 Å²	205	154.4 Å²	154.4	77%	0.774	80%	0.803	S	S	*	*				72.5	109.8	96.5	-85.2	-167	175.3	-176.9	-0.3	115.7
1116	V	27.6	Very low	31.6	Very low	148 Å²	148	155.1 Å²	155.1	90%	0.897	81%	0.814	S	S	*	*			trans	-123.1	134.3	148.8	179	0	0	0	0	107.2
1117	F	27.6	Very low	31.1	Very low	161 Å²	161	155.7 Å²	155.7	71%	0.706	82%	0.822	S	S	*	*			trans	-86.4	-175.7	178.2	-83.6	-87.1	0	0	0	111.1
1118	P	41.1	Very low	30.7	Very low	104 Å²	104	155.3 Å²	155.3	68%	0.675	82%	0.82	S	S	*	*			cis	-130.4	171.6	-11	26.5	-4.7	0	0	0	114.6
1119	K	27.8	Very low	30.8	Very low	178 Å²	178	151.7 Å²	151.7	77%	0.774	82%	0.822	S	S	*	*				169.6	139.4	113	-95	-173.7	168.2	-162.2	0	116.5
1120	D	32.2	Very low	30.3	Very low	125 Å²	125	152.2 Å²	152.2	67%	0.668	83%	0.826	S	S	*	*			trans	64.1	120.5	142.1	-53	-17.8	0	0	0	124
1121	S	30.4	Very low	30.3	Very low	113 Å²	113	153.8 Å²	153.8	79%	0.79	83%	0.827	S	S	*	*			trans	100.8	135.6	134.7	72.1	0	0	0	0	121.4
1122	S	31.1	Very low	29.4	Very low	195 Å²	195	150.4 Å²	150.4	100%	1.364	83%	0.826	S	S	*	*			trans	57.5	0	177.6	63.9	0	0	0	0	117.9

Retrieved 1,122 of 1,122 residues in 926 ms (Link to these results)

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