A0A075QAN7_DROME Loading...

FI23611p1

AlphaFold DB , UniProt , Accession A0A075QAN7, Species DROME (Drosophila melanogaster, Fruit fly), Gene CG4467-RA, Length 989 aa.

						>A0A075QAN7_DROME|A0A075QAN7|CG4467-RA
MLPTSVRPLRYMVTIHPNLTTLDVKGQVTIDLHVEKETNFIVLHIQDLNVTEKAIVTPGPKGYALKIVKVLEFPPRQQLYIEVKERLKKKSNYTLNLRWYSKLNPEPEGFYVDQYESSNGVERLLAATVFRPNGARRAFPCFDEPHVRAPFRISVFRDRFHIGLSNSIVHTTEDVGFYMGTGLLRDDFIETPPLPADAVAWVVSDFQRESLQPSAAYIPTTPAPPGSGVGGKKSAQLNNYTQLKGKNPPVRNITALTHSLNVNLTPRQNLTVVQPTTTTAWPVNLNGNGKPSNLTSLSQSTGSSIKRAPSYTFYAPRDLLIRSSFILHTSRDVLEYLQTWLDISYPLTKVDFVALPSLDRNMISSLGLVTLKTSFLTDPSSITSEQYQFSALRIAEAMVRQFFGGITSRKVLKDVWLWEGLIQYLGIHALAPLQETWPLREMYLLKMATAALDIDAIQGWDSIMNGTSHDGNNEEFFVQKTAAIFSMLHTAIGEDRFRGCLGSFLKVNRFRTAEPTDLWTICTKKANGSKNIKDMMTLWTHQPGFPLLTVTKMGNSISISQRPFRPAEFLAIHDDSYDGNNYNKTTLNATDMPSTVATTTQGSKHKVAPHMKWIFPVTYVTDINNVSETLWMQNVDVTFNVPENVKWIKVNAIQNGYYRVVYNDDNWASLIEELAANPNRFTSEDRLGMLSDAFTLCHANLLPCEITMNMIQYLPSETHYGPMALALRHLEKWRRILKYSECFLMLSEFIKMKISTVMEKVGWSDDGDVATRLLRPEVLLASVLWEDIDSITKAKNMLNQYLYYNGTAIPPNLREVVYTGSILSGEYIYWQHCWERFVNLQRTSETFVERMQLLRALGRTKDAWLQNRLLSHVTMLPTEEVVQVLKAIAGTPTGGAMACRFLQAKWFELEKRLGPGTISFAKVISAITQYGATKFDYDELKSLVHRFGRGHGMSVLNMTLSSVASNVEWVARSQTSLYKWVEGNLHSHR
					

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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	80.9	Confident	93.4	Very high	169 Å²	169	55.8 Å²	55.8	83%	0.833	28%	0.278	S	S	*	.				0	103.6	0	-64.3	-46.4	-165.2	0	0	109	E144	M1-E144 WeakPolarHBondContact CA-OE1 3.45Å; M1-E144 PolarHBondContact N-OE1 3.44Å
2	L	90.5	Very high	93.8	Very high	18 Å²	18	56.3 Å²	56.3	9%	0.094	28%	0.281	C	S	.	.			trans	-82.7	159.1	173.9	-65.3	176.7	0	0	0	110.6	V42 H44 Q78 F142 E144	L2-V42 HydrophobicContact CD2-CB 4.25Å; L2-V42 HydrophobicContact CD2-CG1 3.78Å; L2-H44 WeakPolarHBondContact CG-CE1 3.19Å; L2-Q78 HydrophobicContact CD2-CG 4.19Å; L2-F142 HydrophobicContact CD1-CB 4.1Å; L2-F142 HydrophobicContact CD1-CD1 3.64Å; L2-F142 HydrophobicContact CD1-CE1 4.46Å; L2-F142 HydrophobicContact CD1-CG 4.17Å; L2-E144 HydrophobicContact CD1-CG 4.38Å; L2-E144 HydrophobicContact CG-CG 4.45Å; L2-E144 PolarHBondContact N-OE1 3.32Å
3	P	92.1	Very high	94.1	Very high	48 Å²	48	52.1 Å²	52.1	31%	0.312	26%	0.26	S	S	.	.			trans	-62.3	141.6	169.6	-18.8	31.8	0	0	0	111.7	S5 F40 V42	P3-S5 PolarHBondContact O-N 3.3Å; P3-F40 HydrophobicContact CB-CE2 4.45Å; P3-F40 HydrophobicContact CG-CE2 4.01Å; P3-V42 HydrophobicContact CG-CB 4.1Å; P3-V42 HydrophobicContact CG-CG2 3.94Å
4	T	91.3	Very high	94.4	Very high	97 Å²	97	51.2 Å²	51.2	60%	0.595	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	12.1	176.2	53.5	0	0	0	0	113.8
5	S	93.6	Very high	94.5	Very high	15 Å²	15	47.9 Å²	47.9	11%	0.105	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-28.2	-178.9	48.5	0	0	0	0	113.1	P3 V34 E35 K36	P3-S5 PolarHBondContact O-N 3.3Å; S5-V34 CarbonylContact O-C 3.58Å; S5-E35 PolarHBondContact O-N 3Å; S5-K36 PolarHBondContact O-N 2.98Å
6	V	95.1	Very high	94.6	Very high	9 Å²	9	46.8 Å²	46.8	6%	0.055	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.5	-177.7	-176.4	0	0	0	0	109	L32 H33 V34 T38 I41 F142	V6-L32 HydrophobicContact CG1-CB 3.85Å; V6-L32 HydrophobicContact CG1-CD1 4.07Å; V6-L32 HydrophobicContact CG1-CD2 3.96Å; V6-L32 HydrophobicContact CG1-CG 4.18Å; V6-H33 WeakPolarHBondContact CA-O 3.45Å; V6-V34 HydrophobicContact CG2-CG2 4.39Å; V6-T38 HydrophobicContact CG2-CG2 3.85Å; V6-I41 HydrophobicContact CG2-CG1 4.39Å; V6-F142 HydrophobicContact CG1-CZ 4.29Å
7	R	94.8	Very high	94.7	Very high	118 Å²	118	44.5 Å²	44.5	45%	0.445	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.5	173.3	66.3	176	174.4	115.9	-1.4	111.7	L32 H33 E35	R7-L32 WeakPolarHBondContact O-CA 3.43Å; R7-H33 HydrophobicContact CG-CB 4.05Å; R7-H33 PolarHBondContact N-O 3.07Å; R7-H33 PolarHBondContact O-N 2.86Å; R7-E35 HydrophobicContact CG-CG 4.37Å; R7-E35 IonicContact CZ-OE1 2.96Å; R7-E35 IonicContact NE-OE1 3.66Å; R7-E35 PolarHBondContact NE-OE1 2.83Å; R7-E35 IonicContact NH2-OE1 2.74Å; R7-E35 PolarHBondContact NH2-OE1 2.94Å
8	P	96.9	Very high	94.6	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.039	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	141.6	173	32.3	-35.7	0	0	0	110.9	Y11 I30 D31 F142 V147 A149	P8-Y11 HydrophobicContact CB-CD2 4.45Å; P8-Y11 HydrophobicContact CB-CE2 3.54Å; P8-Y11 HydrophobicContact CG-CE2 3.91Å; P8-I30 HydrophobicContact CB-CG2 3.82Å; P8-D31 CarbonylContact C-O 3.35Å; P8-F142 HydrophobicContact CB-CD2 4.12Å; P8-F142 HydrophobicContact CB-CE2 4.48Å; P8-F142 HydrophobicContact CG-CB 4.12Å; P8-F142 HydrophobicContact CG-CD2 4Å; P8-F142 HydrophobicContact CG-CG 4.09Å; P8-V147 HydrophobicContact CG-CG1 3.34Å; P8-A149 HydrophobicContact CB-CB 4.36Å; P8-A149 HydrophobicContact CG-CB 4.45Å
9	L	96.2	Very high	94.5	Very high	54 Å²	54	41.7 Å²	41.7	28%	0.283	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-35.3	171.9	-66.5	-178.1	0	0	0	111.9	D31 H33 P150	L9-D31 HydrophobicContact CB-CB 4.22Å; L9-D31 PolarHBondContact N-O 3.18Å; L9-H33 HydrophobicContact CD1-CB 3.95Å; L9-H33 HydrophobicContact CD2-CB 3.85Å; L9-H33 HydrophobicContact CG-CB 3.83Å; L9-P150 WeakPolarHBondContact O-CD 2.91Å
10	R	97.3	Very high	94.3	Very high	77 Å²	77	46 Å²	46	29%	0.291	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	145.9	-175.3	-173.3	-173.9	-175	-179.1	8.8	110.2	I30 D31 E190	R10-I30 WeakPolarHBondContact O-CA 3.21Å; R10-D31 HydrophobicContact CB-CB 4.13Å; R10-D31 PolarHBondContact O-N 2.95Å; R10-E190 IonicContact CZ-OE2 3.47Å; R10-E190 IonicContact NE-OE2 3.31Å; R10-E190 PolarHBondContact NE-OE2 3.32Å; R10-E190 IonicContact NH2-OE2 2.73Å; R10-E190 PolarHBondContact NH2-OE2 2.8Å
11	Y	98.4	Very high	94.2	Very high	3 Å²	3	46.7 Å²	46.7	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.3	171.2	-69.4	-98.1	0	0	0	110.8	P8 V28 I30 F139 C141 F142 A149 P150 F151 R152	P8-Y11 HydrophobicContact CB-CD2 4.45Å; P8-Y11 HydrophobicContact CB-CE2 3.54Å; P8-Y11 HydrophobicContact CG-CE2 3.91Å; Y11-V28 HydrophobicContact CD1-CG2 4.01Å; Y11-I30 HydrophobicContact CD1-CB 4.44Å; Y11-I30 HydrophobicContact CD1-CD1 4.05Å; Y11-I30 HydrophobicContact CD1-CG1 3.72Å; Y11-I30 HydrophobicContact CD1-CG2 4.12Å; Y11-I30 HydrophobicContact CE1-CB 4.43Å; Y11-I30 HydrophobicContact CE1-CD1 3.54Å; Y11-I30 HydrophobicContact CE1-CG1 3.72Å; Y11-I30 HydrophobicContact CE1-CG2 3.87Å; Y11-F139 HydrophobicContact CD1-CE2 4.46Å; Y11-C141 HydrophobicContact CE1-CB 3.94Å; Y11-F142 WeakPolarHBondContact OH-CB 3.47Å; Y11-F142 WeakPolarHBondContact OH-CD2 3.44Å; Y11-F142 PolarHBondContact OH-N 2.91Å; Y11-F142 VanDerWaalsContact OH-N 3.1Å; Y11-A149 HydrophobicContact CD2-CB 3.63Å; Y11-A149 HydrophobicContact CE2-CB 3.61Å; Y11-P150 PolarHBondContact N-O 3.19Å; Y11-F151 VanDerWaalsContact CB-CD1 3.42Å; Y11-F151 AromaticContact CD1-CE1 3.94Å; Y11-F151 HydrophobicContact CD1-CE1 3.94Å; Y11-F151 HydrophobicContact CD2-CD1 4.15Å; Y11-F151 AromaticContact CD2-CE1 3.55Å; Y11-F151 HydrophobicContact CD2-CE1 3.55Å; Y11-F151 HydrophobicContact CD2-CE2 4.1Å; Y11-F151 AromaticContact CD2-CZ 3.52Å; Y11-F151 HydrophobicContact CD2-CZ 3.52Å; Y11-F151 HydrophobicContact CE2-CE1 4.17Å; Y11-F151 AromaticContact CE2-CZ 3.82Å; Y11-F151 HydrophobicContact CE2-CZ 3.82Å; Y11-F151 AromaticContact CG-CD1 3.86Å; Y11-F151 HydrophobicContact CG-CD1 3.86Å; Y11-F151 AromaticContact CG-CE1 3.41Å; Y11-F151 HydrophobicContact CG-CE1 3.41Å; Y11-F151 VanDerWaalsContact CG-CE1 3.41Å; Y11-F151 AromaticContact CG-CZ 3.91Å; Y11-F151 HydrophobicContact CG-CZ 3.91Å; Y11-F151 WeakPolarHBondContact O-CA 3.4Å; Y11-R152 PolarHBondContact O-N 2.93Å
12	M	98.2	Very high	94.9	Very high	62 Å²	62	41.3 Å²	41.3	31%	0.305	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	110.8	163	-55.3	171	54.3	0	0	107.6	V28 T29 R152	M12-V28 WeakPolarHBondContact O-CA 3.27Å; M12-T29 PolarHBondContact N-O 2.89Å; M12-T29 PolarHBondContact O-N 2.78Å; M12-R152 CarbonylContact C-O 3.49Å; M12-R152 WeakPolarHBondContact CA-O 3.45Å; M12-R152 HydrophobicContact CG-CB 4.33Å
13	V	97.9	Very high	95.1	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.7	-174.6	-169.9	0	0	0	0	108.6	I15 V28 W99 F139 F151 R152 I153 S154	V13-I15 HydrophobicContact CG1-CD1 3.88Å; V13-I15 HydrophobicContact CG1-CG1 3.77Å; V13-V28 HydrophobicContact CG2-CG2 4.12Å; V13-W99 HydrophobicContact CG1-CH2 4.14Å; V13-F139 HydrophobicContact CG2-CD2 4.31Å; V13-F139 HydrophobicContact CG2-CE2 4.39Å; V13-F151 HydrophobicContact CG2-CD1 4.18Å; V13-R152 PolarHBondContact N-O 3.1Å; V13-I153 CarbonylContact O-C 3.52Å; V13-I153 WeakPolarHBondContact O-CA 3.35Å; V13-S154 PolarHBondContact O-N 3.33Å
14	T	97.8	Very high	95.3	Very high	40 Å²	40	39.9 Å²	39.9	25%	0.245	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.1	177.4	-57.1	0	0	0	0	109	G26 Q27 S154 F156	T14-G26 CarbonylContact O-C 3.54Å; T14-G26 WeakPolarHBondContact O-CA 3.44Å; T14-Q27 PolarHBondContact N-O 3.29Å; T14-Q27 PolarHBondContact O-N 3.21Å; T14-S154 CarbonylContact C-O 3.56Å; T14-S154 WeakPolarHBondContact CA-O 3.49Å; T14-F156 HydrophobicContact CG2-CD2 3.94Å; T14-F156 HydrophobicContact CG2-CE2 3.44Å; T14-F156 VanDerWaalsContact CG2-CE2 3.44Å
15	I	96.9	Very high	95.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	130.3	-170.4	-45.9	-179.2	0	0	0	109	V13 V24 F110 S154 V155 F156 W201	V13-I15 HydrophobicContact CG1-CD1 3.88Å; V13-I15 HydrophobicContact CG1-CG1 3.77Å; I15-V24 HydrophobicContact CG2-CG1 3.93Å; I15-F110 HydrophobicContact CG2-CE1 3.8Å; I15-F110 HydrophobicContact CG2-CZ 4.36Å; I15-S154 PolarHBondContact N-O 3.36Å; I15-V155 WeakPolarHBondContact O-CA 3.24Å; I15-F156 PolarHBondContact O-N 2.91Å; I15-W201 HydrophobicContact CD1-CD2 3.54Å; I15-W201 HydrophobicContact CD1-CE3 3.9Å; I15-W201 HydrophobicContact CD1-CG 4.26Å; I15-W201 HydrophobicContact CD1-CH2 3.56Å; I15-W201 HydrophobicContact CD1-CZ2 3.17Å; I15-W201 HydrophobicContact CD1-CZ3 3.9Å
16	H	95.8	Very high	95.8	Very high	30 Å²	30	40 Å²	40	14%	0.139	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	87.8	175	-177.5	-176.6	0	0	0	108.8	K25 F156 Y178	H16-K25 HydrophobicContact CB-CB 4.42Å; H16-K25 PolarHBondContact N-O 3.27Å; H16-K25 PolarHBondContact O-N 2.86Å; H16-F156 HydrophobicContact CB-CB 3.85Å; H16-F156 HydrophobicContact CB-CD2 4.17Å; H16-F156 HydrophobicContact CB-CG 4.28Å; H16-Y178 AromaticContact CE1-CD1 3.72Å; H16-Y178 AromaticContact CE1-CE1 3.54Å; H16-Y178 AromaticContact CE1-CZ 3.92Å; H16-Y178 AromaticContact NE2-CE1 3.96Å
17	P	95.7	Very high	95.9	Very high	9 Å²	9	42.4 Å²	42.4	6%	0.058	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	139.1	168.3	32.9	-31.9	0	0	0	110.4	V24 F110 F156 V203	P17-V24 HydrophobicContact CB-CG2 4.41Å; P17-F110 HydrophobicContact CB-CE1 3.94Å; P17-F110 HydrophobicContact CB-CZ 3.8Å; P17-F110 HydrophobicContact CG-CE1 4.44Å; P17-F110 HydrophobicContact CG-CZ 4.01Å; P17-F156 WeakPolarHBondContact CD-O 3.42Å; P17-V203 HydrophobicContact CG-CB 4.49Å; P17-V203 HydrophobicContact CG-CG2 3.94Å
18	N	93.1	Very high	96.1	Very high	26 Å²	26	36.8 Å²	36.8	14%	0.139	19%	0.192	C	C	.	.			trans	-110.4	110	167.1	-176.1	-50	0	0	0	108.3	T20 T21 L22 D23	N18-T20 PolarHBondContact O-N 2.73Å; N18-T20 WeakPolarHBondContact OD1-CA 2.91Å; N18-T20 VanDerWaalsContact OD1-CB 3.3Å; N18-T20 WeakPolarHBondContact OD1-CB 3.49Å; N18-T20 PolarHBondContact OD1-N 3.08Å; N18-T21 WeakPolarHBondContact CB-OG1 3.38Å; N18-T21 PolarHBondContact OD1-N 3.41Å; N18-L22 WeakPolarHBondContact O-CA 3.37Å; N18-L22 PolarHBondContact O-N 2.8Å; N18-D23 PolarHBondContact N-O 3.07Å
19	L	92.5	Very high	96.1	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.052	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-10.6	-177.1	-65.6	177.8	0	0	0	113.4	L103 L124 A126 V203	L19-L103 HydrophobicContact CD2-CD1 3.88Å; L19-L124 VanDerWaalsContact O-CD1 3.29Å; L19-L124 WeakPolarHBondContact O-CD1 3.46Å; L19-A126 HydrophobicContact CD2-CB 3.61Å; L19-V203 HydrophobicContact CD1-CG1 4.3Å
20	T	90.2	Very high	96.2	Very high	127 Å²	127	35 Å²	35	78%	0.779	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-45.1	174.4	-48.8	0	0	0	0	111.8	N18	N18-T20 PolarHBondContact O-N 2.73Å; N18-T20 WeakPolarHBondContact OD1-CA 2.91Å; N18-T20 VanDerWaalsContact OD1-CB 3.3Å; N18-T20 WeakPolarHBondContact OD1-CB 3.49Å; N18-T20 PolarHBondContact OD1-N 3.08Å
21	T	92.9	Very high	96.2	Very high	60 Å²	60	33.4 Å²	33.4	37%	0.368	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-13.9	179.1	67	0	0	0	0	113.3	N18 D23	N18-T21 WeakPolarHBondContact CB-OG1 3.38Å; N18-T21 PolarHBondContact OD1-N 3.41Å; T21-D23 PolarHBondContact O-N 3.06Å; T21-D23 WeakPolarHBondContact OG1-CB 3.48Å; T21-D23 PolarHBondContact OG1-N 3.03Å
22	L	95	Very high	96.1	Very high	57 Å²	57	33.3 Å²	33.3	30%	0.298	18%	0.18	S	C	.	.			trans	63.4	14.9	-171.5	-50.7	179.7	0	0	0	114.2	N18 K102 L103 V112 L124	N18-L22 WeakPolarHBondContact O-CA 3.37Å; N18-L22 PolarHBondContact O-N 2.8Å; L22-K102 CarbonylContact O-C 3.59Å; L22-K102 WeakPolarHBondContact O-CA 3.31Å; L22-L103 HydrophobicContact CB-CB 4.48Å; L22-L103 HydrophobicContact CD2-CD1 4.22Å; L22-L103 PolarHBondContact O-N 3.28Å; L22-V112 HydrophobicContact CD2-CB 4.31Å; L22-V112 HydrophobicContact CD2-CG2 3.9Å; L22-L124 HydrophobicContact CD2-CD1 4.33Å
23	D	95.4	Very high	96	Very high	35 Å²	35	31.8 Å²	31.8	19%	0.187	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	147.3	178.7	-69.7	-15.2	0	0	0	111.4	N18 T21 Y100 K102	N18-D23 PolarHBondContact N-O 3.07Å; T21-D23 PolarHBondContact O-N 3.06Å; T21-D23 WeakPolarHBondContact OG1-CB 3.48Å; T21-D23 PolarHBondContact OG1-N 3.03Å; D23-Y100 HydrophobicContact CB-CE2 3.75Å; D23-Y100 PolarHBondContact OD1-OH 3.34Å; D23-Y100 PolarHBondContact OD2-OH 2.9Å; D23-K102 WeakPolarHBondContact OD1-CE 3.19Å
24	V	96.9	Very high	95.9	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122	174.9	-176.7	0	0	0	0	108.8	I15 P17 Y100 S101 L103 F110	I15-V24 HydrophobicContact CG2-CG1 3.93Å; P17-V24 HydrophobicContact CB-CG2 4.41Å; V24-Y100 WeakPolarHBondContact O-CA 3.43Å; V24-S101 PolarHBondContact N-O 3.1Å; V24-S101 PolarHBondContact O-N 2.76Å; V24-L103 HydrophobicContact CG2-CD2 3.63Å; V24-L103 HydrophobicContact CG2-CG 3.79Å; V24-F110 HydrophobicContact CB-CE1 4.47Å; V24-F110 HydrophobicContact CG1-CD1 4.07Å; V24-F110 HydrophobicContact CG1-CE1 3.88Å; V24-F110 HydrophobicContact CG2-CD1 3.84Å; V24-F110 HydrophobicContact CG2-CE1 3.69Å
25	K	97	Very high	95.8	Very high	106 Å²	106	33.2 Å²	33.2	46%	0.461	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.7	165.8	-67	177	-176.5	176.1	0	108.3	H16 Y100 Y178	H16-K25 HydrophobicContact CB-CB 4.42Å; H16-K25 PolarHBondContact N-O 3.27Å; H16-K25 PolarHBondContact O-N 2.86Å; K25-Y100 HydrophobicContact CG-CD2 4.15Å; K25-Y178 PolarHBondContact NZ-OH 2.72Å; K25-Y178 VanDerWaalsContact NZ-OH 3.1Å
26	G	97.3	Very high	95.7	Very high	8 Å²	8	39 Å²	39	8%	0.082	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	151.4	-177.8	0	0	0	0	0	113.2	T14 R98 W99	T14-G26 CarbonylContact O-C 3.54Å; T14-G26 WeakPolarHBondContact O-CA 3.44Å; G26-R98 WeakPolarHBondContact O-CA 3.06Å; G26-W99 PolarHBondContact N-O 2.92Å; G26-W99 PolarHBondContact O-N 3.49Å
27	Q	98.1	Very high	95.7	Very high	59 Å²	59	42.9 Å²	42.9	28%	0.276	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.4	168.4	178.4	174.3	-25.4	0	0	109.3	T14 L97 R98 W99	T14-Q27 PolarHBondContact N-O 3.29Å; T14-Q27 PolarHBondContact O-N 3.21Å; Q27-L97 CarbonylContact C-O 3.25Å; Q27-L97 WeakPolarHBondContact CA-O 3.42Å; Q27-R98 HydrophobicContact CB-CG 4.06Å; Q27-R98 HydrophobicContact CG-CG 3.97Å; Q27-W99 VanDerWaalsContact N-CZ3 3.33Å
28	V	98	Very high	95.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.2	174	62.2	0	0	0	0	108.8	Y11 M12 V13 I30 N96 L97 W99 P140	Y11-V28 HydrophobicContact CD1-CG2 4.01Å; M12-V28 WeakPolarHBondContact O-CA 3.27Å; V13-V28 HydrophobicContact CG2-CG2 4.12Å; V28-I30 HydrophobicContact CG2-CD1 4.21Å; V28-I30 HydrophobicContact CG2-CG1 3.68Å; V28-N96 WeakPolarHBondContact O-CA 3.47Å; V28-L97 HydrophobicContact CG1-CB 3.81Å; V28-L97 HydrophobicContact CG1-CD1 4.38Å; V28-L97 PolarHBondContact N-O 2.9Å; V28-L97 PolarHBondContact O-N 2.67Å; V28-W99 HydrophobicContact CB-CH2 4.47Å; V28-W99 HydrophobicContact CB-CZ3 3.79Å; V28-W99 HydrophobicContact CG1-CE3 4.33Å; V28-W99 HydrophobicContact CG1-CZ3 3.85Å; V28-P140 HydrophobicContact CG1-CB 4.49Å; V28-P140 HydrophobicContact CG1-CG 4.39Å
29	T	97.7	Very high	95.8	Very high	23 Å²	23	44 Å²	44	14%	0.141	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119	171.5	-55.3	0	0	0	0	107.3	M12 T94 L95 N96	M12-T29 PolarHBondContact N-O 2.89Å; M12-T29 PolarHBondContact O-N 2.78Å; T29-T94 HydrophobicContact CG2-CG2 3.35Å; T29-L95 CarbonylContact C-O 3.46Å; T29-L95 WeakPolarHBondContact CA-O 3.32Å; T29-N96 WeakPolarHBondContact CG2-OD1 3.39Å; T29-N96 PolarHBondContact OG1-OD1 2.82Å
30	I	97.8	Very high	96	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	116.7	-178.2	-44.8	177.9	0	0	0	108	P8 R10 Y11 V28 L32 T94 L95	P8-I30 HydrophobicContact CB-CG2 3.82Å; R10-I30 WeakPolarHBondContact O-CA 3.21Å; Y11-I30 HydrophobicContact CD1-CB 4.44Å; Y11-I30 HydrophobicContact CD1-CD1 4.05Å; Y11-I30 HydrophobicContact CD1-CG1 3.72Å; Y11-I30 HydrophobicContact CD1-CG2 4.12Å; Y11-I30 HydrophobicContact CE1-CB 4.43Å; Y11-I30 HydrophobicContact CE1-CD1 3.54Å; Y11-I30 HydrophobicContact CE1-CG1 3.72Å; Y11-I30 HydrophobicContact CE1-CG2 3.87Å; V28-I30 HydrophobicContact CG2-CD1 4.21Å; V28-I30 HydrophobicContact CG2-CG1 3.68Å; I30-L32 HydrophobicContact CB-CD2 4.15Å; I30-L32 HydrophobicContact CG2-CD2 3.51Å; I30-L32 HydrophobicContact CG2-CG 4.26Å; I30-T94 WeakPolarHBondContact O-CA 3.48Å; I30-L95 HydrophobicContact CB-CB 4.43Å; I30-L95 HydrophobicContact CD1-CD2 4.34Å; I30-L95 PolarHBondContact N-O 2.99Å; I30-L95 PolarHBondContact O-N 3.3Å
31	D	96.9	Very high	96.3	Very high	44 Å²	44	40.4 Å²	40.4	24%	0.235	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.8	166.8	-66.4	-31.1	0	0	0	108	P8 L9 R10 T94	P8-D31 CarbonylContact C-O 3.35Å; L9-D31 HydrophobicContact CB-CB 4.22Å; L9-D31 PolarHBondContact N-O 3.18Å; R10-D31 HydrophobicContact CB-CB 4.13Å; R10-D31 PolarHBondContact O-N 2.95Å; D31-T94 PolarHBondContact OD1-OG1 2.94Å
32	L	96.4	Very high	96.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	145.6	-172.1	-60.2	174.6	0	0	0	110.4	V6 R7 I30 I41 N92 Y93 L95 F142	V6-L32 HydrophobicContact CG1-CB 3.85Å; V6-L32 HydrophobicContact CG1-CD1 4.07Å; V6-L32 HydrophobicContact CG1-CD2 3.96Å; V6-L32 HydrophobicContact CG1-CG 4.18Å; R7-L32 WeakPolarHBondContact O-CA 3.43Å; I30-L32 HydrophobicContact CB-CD2 4.15Å; I30-L32 HydrophobicContact CG2-CD2 3.51Å; I30-L32 HydrophobicContact CG2-CG 4.26Å; L32-I41 HydrophobicContact CD1-CD1 3.64Å; L32-N92 CarbonylContact O-C 3.53Å; L32-N92 WeakPolarHBondContact O-CA 3.43Å; L32-Y93 WeakPolarHBondContact CB-O 3.49Å; L32-Y93 PolarHBondContact N-O 3.43Å; L32-Y93 PolarHBondContact O-N 3.41Å; L32-L95 HydrophobicContact CD1-CB 3.68Å; L32-L95 HydrophobicContact CD1-CD2 4.38Å; L32-L95 HydrophobicContact CG-CB 4.39Å; L32-F142 HydrophobicContact CD2-CE2 3.6Å; L32-F142 HydrophobicContact CD2-CZ 3.86Å
33	H	96.3	Very high	96.6	Very high	30 Å²	30	35.6 Å²	35.6	14%	0.139	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.3	167.8	-170.9	71.2	0	0	0	110.4	V6 R7 L9 E35 N92	V6-H33 WeakPolarHBondContact CA-O 3.45Å; R7-H33 HydrophobicContact CG-CB 4.05Å; R7-H33 PolarHBondContact N-O 3.07Å; R7-H33 PolarHBondContact O-N 2.86Å; L9-H33 HydrophobicContact CD1-CB 3.95Å; L9-H33 HydrophobicContact CD2-CB 3.85Å; L9-H33 HydrophobicContact CG-CB 3.83Å; H33-E35 IonicContact CD2-OE1 3.63Å; H33-E35 PolarHBondContact CD2-OE1 2.61Å; H33-N92 PolarHBondContact ND1-OD1 2.63Å
34	V	96.3	Very high	96.7	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	107	-178	-178.3	0	0	0	0	109.9	S5 V6 K36 T38 L87 K88 K90 S91 Y93	S5-V34 CarbonylContact O-C 3.58Å; V6-V34 HydrophobicContact CG2-CG2 4.39Å; V34-K36 WeakPolarHBondContact CG1-O 3.3Å; V34-T38 HydrophobicContact CG1-CG2 4.41Å; V34-L87 HydrophobicContact CG1-CB 4.22Å; V34-L87 HydrophobicContact CG2-CB 3.91Å; V34-L87 HydrophobicContact CG2-CD1 4.44Å; V34-K88 WeakPolarHBondContact CB-O 3.49Å; V34-K88 WeakPolarHBondContact CG1-O 3.35Å; V34-K90 PolarHBondContact O-N 3.13Å; V34-S91 PolarHBondContact N-O 2.89Å; V34-Y93 HydrophobicContact CG2-CD2 3.58Å; V34-Y93 HydrophobicContact CG2-CE2 3.73Å
35	E	95	Very high	96.6	Very high	70 Å²	70	34.5 Å²	34.5	33%	0.327	17%	0.165	S	C	.	.	S	Bend	trans	-78	-36.3	178.5	-69.2	-65.4	166.7	0	0	112.3	S5 R7 H33 K89	S5-E35 PolarHBondContact O-N 3Å; R7-E35 HydrophobicContact CG-CG 4.37Å; R7-E35 IonicContact CZ-OE1 2.96Å; R7-E35 IonicContact NE-OE1 3.66Å; R7-E35 PolarHBondContact NE-OE1 2.83Å; R7-E35 IonicContact NH2-OE1 2.74Å; R7-E35 PolarHBondContact NH2-OE1 2.94Å; H33-E35 IonicContact CD2-OE1 3.63Å; H33-E35 PolarHBondContact CD2-OE1 2.61Å; E35-K89 VanDerWaalsContact O-CE 3.27Å; E35-K89 WeakPolarHBondContact O-CE 3.45Å; E35-K89 WeakPolarHBondContact O-CG 3.49Å
36	K	95.1	Very high	96.5	Very high	123 Å²	123	31.7 Å²	31.7	54%	0.535	15%	0.154	S	C	.	.	S	Bend	trans	-132.2	135.6	178.1	-61.6	179.3	-177.1	173.2	0	109.1	S5 V34 T38	S5-K36 PolarHBondContact O-N 2.98Å; V34-K36 WeakPolarHBondContact CG1-O 3.3Å; K36-T38 PolarHBondContact O-N 3.43Å
37	E	95.4	Very high	96.3	Very high	110 Å²	110	36.4 Å²	36.4	51%	0.514	18%	0.177	S	C	.	.			trans	-54.8	129.6	177.3	-168.8	-176.8	158.3	0	0	110.1	R86 L87 K89	E37-R86 HydrophobicContact CG-CB 4.33Å; E37-R86 WeakPolarHBondContact OE1-CD 3.38Å; E37-R86 IonicContact OE1-NH1 2.62Å; E37-R86 PolarHBondContact OE1-NH1 3.03Å; E37-L87 WeakPolarHBondContact CA-O 3.29Å; E37-L87 WeakPolarHBondContact CG-O 3.41Å; E37-K89 HydrophobicContact CB-CB 4.38Å
38	T	96.4	Very high	96.1	Very high	9 Å²	9	33.8 Å²	33.8	6%	0.055	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	153.6	-174.1	-179.6	0	0	0	0	109.6	V6 V34 K36 F40 L87	V6-T38 HydrophobicContact CG2-CG2 3.85Å; V34-T38 HydrophobicContact CG1-CG2 4.41Å; K36-T38 PolarHBondContact O-N 3.43Å; T38-F40 WeakPolarHBondContact CG2-O 3.4Å; T38-F40 WeakPolarHBondContact OG1-CD1 3.43Å; T38-F40 WeakPolarHBondContact OG1-CE1 3.49Å; T38-F40 PolarHBondContact OG1-N 3.16Å; T38-F40 VanDerWaalsContact OG1-N 3.13Å; T38-F40 PolarHBondContact OG1-O 3.46Å; T38-L87 HydrophobicContact CG2-CB 4.26Å; T38-L87 HydrophobicContact CG2-CD1 4.14Å; T38-L87 PolarHBondContact N-O 3.12Å; T38-L87 WeakPolarHBondContact O-CA 3.1Å; T38-L87 VanDerWaalsContact O-CB 3.24Å; T38-L87 WeakPolarHBondContact O-CB 3.48Å; T38-L87 PolarHBondContact O-N 3.26Å
39	N	95.6	Very high	95.9	Very high	50 Å²	50	38.8 Å²	38.8	27%	0.267	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	6.9	170.2	64.2	-39	0	0	0	112.5	E82 V83 R86	N39-E82 PolarHBondContact ND2-OE1 3.06Å; N39-E82 VanDerWaalsContact ND2-OE1 3.13Å; N39-E82 CarbonylContact O-C 3.52Å; N39-E82 WeakPolarHBondContact O-CA 3.45Å; N39-V83 VanDerWaalsContact O-CG2 3.22Å; N39-V83 WeakPolarHBondContact O-CG2 3.23Å; N39-V83 PolarHBondContact O-N 2.88Å; N39-R86 HydrophobicContact CB-CG 4.24Å
40	F	96.2	Very high	95.8	Very high	60 Å²	60	39.3 Å²	39.3	26%	0.263	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	157.1	-178.8	66.6	-93.2	0	0	0	113.4	P3 T38 V42 Y80 I81	P3-F40 HydrophobicContact CB-CE2 4.45Å; P3-F40 HydrophobicContact CG-CE2 4.01Å; T38-F40 WeakPolarHBondContact CG2-O 3.4Å; T38-F40 WeakPolarHBondContact OG1-CD1 3.43Å; T38-F40 WeakPolarHBondContact OG1-CE1 3.49Å; T38-F40 PolarHBondContact OG1-N 3.16Å; T38-F40 VanDerWaalsContact OG1-N 3.13Å; T38-F40 PolarHBondContact OG1-O 3.46Å; F40-V42 HydrophobicContact CD2-CG2 3.84Å; F40-V42 HydrophobicContact CE2-CG2 4.09Å; F40-Y80 HydrophobicContact CB-CD2 4.19Å; F40-Y80 HydrophobicContact CB-CE2 3.39Å; F40-Y80 HydrophobicContact CD1-CE2 4.17Å; F40-Y80 HydrophobicContact CD2-CD2 4.11Å; F40-Y80 AromaticContact CD2-CE2 3.66Å; F40-Y80 HydrophobicContact CD2-CE2 3.66Å; F40-Y80 HydrophobicContact CE2-CE2 4.5Å; F40-Y80 HydrophobicContact CG-CD2 4.32Å; F40-Y80 AromaticContact CG-CE2 3.47Å; F40-Y80 HydrophobicContact CG-CE2 3.47Å; F40-Y80 VanDerWaalsContact CG-CE2 3.47Å; F40-I81 CarbonylContact C-O 3.51Å; F40-I81 WeakPolarHBondContact CA-O 3.31Å
41	I	96.4	Very high	95.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136	173.2	-58.4	169.4	0	0	0	107.8	V6 L32 L43 I55 I81 L87 F142	V6-I41 HydrophobicContact CG2-CG1 4.39Å; L32-I41 HydrophobicContact CD1-CD1 3.64Å; I41-L43 HydrophobicContact CG2-CD2 4.18Å; I41-I55 HydrophobicContact CD1-CD1 3.72Å; I41-I55 HydrophobicContact CD1-CG1 4.28Å; I41-I81 PolarHBondContact N-O 2.89Å; I41-I81 PolarHBondContact O-N 3.16Å; I41-L87 HydrophobicContact CD1-CD1 3.91Å; I41-L87 HydrophobicContact CG1-CD1 3.73Å; I41-F142 HydrophobicContact CG2-CZ 4.12Å
42	V	96.9	Very high	95.4	Very high	17 Å²	17	46.3 Å²	46.3	10%	0.103	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.4	171.3	-169.7	0	0	0	0	108.9	L2 P3 F40 Q78 L79 Y80	L2-V42 HydrophobicContact CD2-CB 4.25Å; L2-V42 HydrophobicContact CD2-CG1 3.78Å; P3-V42 HydrophobicContact CG-CB 4.1Å; P3-V42 HydrophobicContact CG-CG2 3.94Å; F40-V42 HydrophobicContact CD2-CG2 3.84Å; F40-V42 HydrophobicContact CE2-CG2 4.09Å; V42-Q78 HydrophobicContact CG1-CB 4.06Å; V42-Q78 HydrophobicContact CG1-CG 4.1Å; V42-L79 VanDerWaalsContact CA-O 3.3Å; V42-L79 WeakPolarHBondContact CA-O 3.02Å; V42-Y80 HydrophobicContact CG2-CD2 3.82Å
43	L	97	Very high	95.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	173.3	173.2	61.8	131.7	0	0	0	110.5	I41 Q78 L79 I81 L95 L97 P140 F142	I41-L43 HydrophobicContact CG2-CD2 4.18Å; L43-Q78 CarbonylContact O-C 3.59Å; L43-Q78 WeakPolarHBondContact O-CA 3.14Å; L43-L79 HydrophobicContact CG-CB 4.35Å; L43-L79 PolarHBondContact N-O 2.75Å; L43-L79 VanDerWaalsContact N-O 3.08Å; L43-L79 PolarHBondContact O-N 2.9Å; L43-I81 HydrophobicContact CD2-CD1 4.31Å; L43-L95 HydrophobicContact CD2-CD2 3.78Å; L43-L97 HydrophobicContact CD1-CD1 4.03Å; L43-L97 HydrophobicContact CD2-CD1 4.46Å; L43-P140 HydrophobicContact CD1-CB 3.42Å; L43-P140 VanDerWaalsContact CD1-CB 3.42Å; L43-F142 HydrophobicContact CB-CD2 4.43Å; L43-F142 HydrophobicContact CB-CE2 4.35Å
44	H	97.5	Very high	95.2	Very high	4 Å²	4	51 Å²	51	2%	0.019	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	141.5	178.3	-63.2	116.2	0	0	0	112.1	L2 Q77 R136 P140 C141 D143 E144	L2-H44 WeakPolarHBondContact CG-CE1 3.19Å; H44-Q77 CarbonylContact C-O 3.55Å; H44-Q77 VanDerWaalsContact CA-O 3.23Å; H44-Q77 WeakPolarHBondContact CA-O 3.49Å; H44-Q77 PolarHBondContact CD2-O 2.94Å; H44-R136 HydrophobicContact CB-CB 3.75Å; H44-R136 VanDerWaalsContact CD2-CZ 3.43Å; H44-R136 PolarHBondContact CD2-NH1 2.95Å; H44-R136 PolarHBondContact CD2-NH2 2.79Å; H44-R136 PolarHBondContact CE1-NH2 2.86Å; H44-R136 VanDerWaalsContact CG-CZ 3.43Å; H44-R136 VanDerWaalsContact CG-NH2 3.33Å; H44-R136 PolarHBondContact ND1-NH2 2.93Å; H44-R136 PolarHBondContact NE2-NH2 2.82Å; H44-P140 WeakPolarHBondContact O-CA 3.45Å; H44-C141 WeakPolarHBondContact CA-O 2.99Å; H44-C141 WeakPolarHBondContact CB-O 3.43Å; H44-C141 PolarHBondContact N-O 3.46Å; H44-C141 PolarHBondContact O-N 2.92Å; H44-C141 VanDerWaalsContact O-N 3.08Å; H44-D143 HydrophobicContact CB-CB 3.96Å; H44-D143 PolarHBondContact ND1-N 2.9Å; H44-D143 PolarHBondContact ND1-O 3.41Å; H44-E144 IonicContact CE1-OE1 3.85Å
45	I	96.1	Very high	95.1	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.041	26%	0.258	C	S	.	.			trans	-151.8	140.8	174.2	-164.2	169.7	0	0	0	109.3	L48 V50 Q77 L79 P140	I45-L48 HydrophobicContact CD1-CB 3.94Å; I45-L48 HydrophobicContact CG1-CB 3.83Å; I45-L48 HydrophobicContact CG1-CD1 4.13Å; I45-L48 HydrophobicContact CG1-CG 4.25Å; I45-V50 HydrophobicContact CD1-CG2 3.35Å; I45-Q77 PolarHBondContact N-O 3.43Å; I45-Q77 CarbonylContact O-C 3.55Å; I45-Q77 VanDerWaalsContact O-CA 3.31Å; I45-Q77 WeakPolarHBondContact O-CA 3.23Å; I45-Q77 WeakPolarHBondContact O-CB 3.27Å; I45-Q77 VanDerWaalsContact O-O 3.1Å; I45-L79 HydrophobicContact CB-CB 4.36Å; I45-L79 HydrophobicContact CG2-CB 3.74Å; I45-P140 HydrophobicContact CD1-CB 4.37Å; I45-P140 HydrophobicContact CD1-CG 4Å; I45-P140 HydrophobicContact CG1-CB 4.49Å; I45-P140 HydrophobicContact CG1-CG 4.35Å
46	Q	94.6	Very high	95	Very high	47 Å²	47	49.2 Å²	49.2	22%	0.22	25%	0.252	C	S	.	.	S	Bend	trans	-150.1	131	173.6	-176.5	-176.5	-7.1	0	0	109.8	L48 Q77 R136 R137	Q46-L48 WeakPolarHBondContact O-CG 3.46Å; Q46-L48 PolarHBondContact O-N 2.96Å; Q46-Q77 HydrophobicContact CB-CB 4.28Å; Q46-Q77 HydrophobicContact CB-CG 4.23Å; Q46-Q77 HydrophobicContact CG-CG 4.2Å; Q46-R136 HydrophobicContact CB-CG 4.03Å; Q46-R136 PolarHBondContact N-O 3.31Å; Q46-R137 HydrophobicContact CB-CG 4.05Å; Q46-R137 HydrophobicContact CG-CG 4.13Å; Q46-R137 WeakPolarHBondContact O-CA 3.42Å
47	D	91.7	Very high	94.7	Very high	107 Å²	107	44.2 Å²	44.2	57%	0.572	23%	0.232	S	C	*	.	S	Bend	trans	59.2	26.8	176.5	-47.6	-32.5	0	0	0	114.5	R137	D47-R137 IonicContact OD2-CZ 3.51Å; D47-R137 IonicContact OD2-NE 2.97Å; D47-R137 PolarHBondContact OD2-NE 3.18Å; D47-R137 IonicContact OD2-NH2 3.88Å
48	L	94.9	Very high	93.9	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.026	23%	0.233	C	C	.	.			trans	-122.8	132.6	178.9	-53.7	-179.2	0	0	0	111.1	I45 Q46 W99 F139 P140	I45-L48 HydrophobicContact CD1-CB 3.94Å; I45-L48 HydrophobicContact CG1-CB 3.83Å; I45-L48 HydrophobicContact CG1-CD1 4.13Å; I45-L48 HydrophobicContact CG1-CG 4.25Å; Q46-L48 WeakPolarHBondContact O-CG 3.46Å; Q46-L48 PolarHBondContact O-N 2.96Å; L48-W99 HydrophobicContact CB-CB 4.49Å; L48-W99 HydrophobicContact CB-CG 4.39Å; L48-W99 HydrophobicContact CD1-CG 4.46Å; L48-F139 VanDerWaalsContact CD1-CA 3.5Å; L48-P140 HydrophobicContact CD1-CG 4.08Å
49	N	94.7	Very high	92.7	Very high	105 Å²	105	45 Å²	45	56%	0.561	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	107.7	178.7	-66.3	-16.1	0	0	0	110.7	T51 W99 Y100	N49-T51 PolarHBondContact O-N 3.29Å; N49-W99 CarbonylContact O-C 3.58Å; N49-W99 WeakPolarHBondContact O-CA 3.33Å; N49-W99 WeakPolarHBondContact O-CB 3.26Å; N49-Y100 WeakPolarHBondContact CB-O 3.41Å; N49-Y100 PolarHBondContact N-O 3.25Å; N49-Y100 PolarHBondContact O-N 2.86Å
50	V	94.8	Very high	91	Very high	34 Å²	34	49.6 Å²	49.6	21%	0.206	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	118.9	179.4	-177.8	0	0	0	0	111	I45 L79 L97 R98	I45-V50 HydrophobicContact CD1-CG2 3.35Å; V50-L79 HydrophobicContact CG2-CD2 4.29Å; V50-L97 HydrophobicContact CG1-CD2 4.09Å; V50-R98 CarbonylContact C-O 3.58Å; V50-R98 WeakPolarHBondContact CA-O 3.13Å
51	T	93.4	Very high	89.5	Confident	90 Å²	90	56.3 Å²	56.3	55%	0.552	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	-43.4	-177.8	54.8	0	0	0	0	112.7	N49 R98	N49-T51 PolarHBondContact O-N 3.29Å; T51-R98 PolarHBondContact N-O 3.26Å; T51-R98 PolarHBondContact OG1-O 3.44Å
52	E	93.4	Very high	88.4	Confident	100 Å²	100	57.6 Å²	57.6	47%	0.467	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.5	178.7	-63.5	175.9	-152.8	0	0	111.1	L97 R98	E52-L97 WeakPolarHBondContact O-CA 3.4Å; E52-R98 HydrophobicContact CB-CB 3.97Å; E52-R98 HydrophobicContact CB-CG 4.16Å; E52-R98 VanDerWaalsContact CD-NH1 3.32Å; E52-R98 HydrophobicContact CG-CB 4.47Å; E52-R98 PolarHBondContact N-O 2.92Å; E52-R98 PolarHBondContact O-N 3.39Å; E52-R98 IonicContact OE1-CZ 3.77Å; E52-R98 IonicContact OE1-NH1 3.47Å; E52-R98 PolarHBondContact OE1-NH1 3.31Å; E52-R98 WeakPolarHBondContact OE2-CD 3.06Å; E52-R98 IonicContact OE2-CZ 2.76Å; E52-R98 IonicContact OE2-NE 3.1Å; E52-R98 IonicContact OE2-NH1 3.35Å; E52-R98 PolarHBondContact OE2-NH1 2.92Å
53	K	94.1	Very high	87.8	Confident	98 Å²	98	62.8 Å²	62.8	43%	0.426	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	126.1	-178.2	48.2	176.4	175	-74.2	0	110.6	I67 V70 N96 L97	K53-I67 HydrophobicContact CB-CD1 3.98Å; K53-I67 HydrophobicContact CD-CD1 4.08Å; K53-I67 HydrophobicContact CD-CG2 4.48Å; K53-I67 HydrophobicContact CG-CD1 3.97Å; K53-V70 HydrophobicContact CD-CB 4.3Å; K53-V70 HydrophobicContact CD-CG2 3.38Å; K53-N96 WeakPolarHBondContact CA-O 3.37Å; K53-L97 HydrophobicContact CB-CD2 3.89Å
54	A	94.3	Very high	87.4	Confident	31 Å²	31	66 Å²	66	26%	0.256	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	140.8	174.7	0	0	0	0	0	110.5	N96	A54-N96 HydrophobicContact CB-CB 4.36Å; A54-N96 PolarHBondContact N-O 2.84Å; A54-N96 PolarHBondContact O-N 2.87Å
55	I	93.8	Very high	87.2	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.2	170.2	-63.8	161.5	0	0	0	107	I41 A64 L65 I67 I81 V83 Y93 T94 L95	I41-I55 HydrophobicContact CD1-CD1 3.72Å; I41-I55 HydrophobicContact CD1-CG1 4.28Å; I55-A64 CarbonylContact O-C 3.48Å; I55-A64 WeakPolarHBondContact O-CA 3.31Å; I55-L65 HydrophobicContact CB-CB 4.46Å; I55-L65 HydrophobicContact CG2-CD1 3.87Å; I55-L65 HydrophobicContact CG2-CG 4.39Å; I55-L65 PolarHBondContact O-N 3.07Å; I55-I67 HydrophobicContact CD1-CG1 4.5Å; I55-I81 HydrophobicContact CD1-CG2 3.74Å; I55-V83 HydrophobicContact CD1-CG1 3.44Å; I55-V83 VanDerWaalsContact CD1-CG1 3.44Å; I55-Y93 HydrophobicContact CG2-CD1 4.42Å; I55-T94 CarbonylContact C-O 3.56Å; I55-T94 WeakPolarHBondContact CA-O 3.33Å; I55-L95 HydrophobicContact CD1-CD1 4.34Å; I55-L95 HydrophobicContact CG1-CD1 3.62Å
56	V	93.6	Very high	87	Confident	34 Å²	34	72.7 Å²	72.7	21%	0.206	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.5	-173.1	-172.7	0	0	0	0	109.9	T94	V56-T94 PolarHBondContact N-O 3.47Å; V56-T94 PolarHBondContact O-N 3.03Å
57	T	88.3	Confident	87.1	Confident	18 Å²	18	72.3 Å²	72.3	11%	0.11	41%	0.406	C	S	.	.			trans	-69.9	154.7	174.2	61.7	0	0	0	0	111.5	G62 Y63 L65 Y93	T57-G62 WeakPolarHBondContact O-CA 3.26Å; T57-G62 WeakPolarHBondContact OG1-CA 3.3Å; T57-Y63 HydrophobicContact CG2-CD1 4.08Å; T57-Y63 HydrophobicContact CG2-CD2 4.44Å; T57-Y63 HydrophobicContact CG2-CE1 3.71Å; T57-Y63 HydrophobicContact CG2-CE2 4.12Å; T57-Y63 HydrophobicContact CG2-CG 4.43Å; T57-Y63 PolarHBondContact N-O 3.15Å; T57-Y63 VanDerWaalsContact N-O 3.13Å; T57-Y63 WeakPolarHBondContact OG1-CD1 3.33Å; T57-Y63 PolarHBondContact OG1-N 3.37Å; T57-L65 HydrophobicContact CG2-CD2 3.6Å; T57-L65 HydrophobicContact CG2-CG 4.13Å; T57-Y93 HydrophobicContact CG2-CD1 4.47Å; T57-Y93 HydrophobicContact CG2-CE1 4.14Å
58	P	78.5	Confident	87.2	Confident	81 Å²	81	71.3 Å²	71.3	53%	0.526	40%	0.403	S	S	.	.	S	Bend	trans	-71.1	143.3	-177.6	30.6	-30.3	0	0	0	110.9	N92	P58-N92 HydrophobicContact CB-CB 4.49Å; P58-N92 WeakPolarHBondContact CD-O 3.41Å; P58-N92 WeakPolarHBondContact CG-O 3.24Å
59	G	71.1	Confident	87.1	Confident	55 Å²	55	75.9 Å²	75.9	57%	0.567	42%	0.423	S	S	*	.	S	Bend	trans	124.2	164.8	172.7	0	0	0	0	0	114.9	K61 G62	G59-K61 PolarHBondContact O-N 2.87Å; G59-K61 VanDerWaalsContact O-N 3.15Å; G59-G62 PolarHBondContact O-N 3.07Å
60	P	58.9	Low	87.1	Confident	146 Å²	146	73.1 Å²	73.1	95%	0.948	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.3	-175.8	24.6	-32.8	0	0	0	114.5
61	K	64.8	Low	87.1	Confident	202 Å²	202	75.4 Å²	75.4	88%	0.878	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.8	37.8	171.3	-63.7	-174.8	178.8	-178.5	0	111.1	G59 Y63	G59-K61 PolarHBondContact O-N 2.87Å; G59-K61 VanDerWaalsContact O-N 3.15Å; K61-Y63 PolarHBondContact O-N 2.85Å
62	G	73.8	Confident	87.2	Confident	28 Å²	28	76.3 Å²	76.3	29%	0.289	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-55.1	132.6	177.4	0	0	0	0	0	111	T57 G59	T57-G62 WeakPolarHBondContact O-CA 3.26Å; T57-G62 WeakPolarHBondContact OG1-CA 3.3Å; G59-G62 PolarHBondContact O-N 3.07Å
63	Y	84.8	Confident	87.2	Confident	125 Å²	125	76.4 Å²	76.4	49%	0.49	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-100.1	149.3	176.4	65.9	-87	0	0	0	110.1	T57 K61 L65 E85	T57-Y63 HydrophobicContact CG2-CD1 4.08Å; T57-Y63 HydrophobicContact CG2-CD2 4.44Å; T57-Y63 HydrophobicContact CG2-CE1 3.71Å; T57-Y63 HydrophobicContact CG2-CE2 4.12Å; T57-Y63 HydrophobicContact CG2-CG 4.43Å; T57-Y63 PolarHBondContact N-O 3.15Å; T57-Y63 VanDerWaalsContact N-O 3.13Å; T57-Y63 WeakPolarHBondContact OG1-CD1 3.33Å; T57-Y63 PolarHBondContact OG1-N 3.37Å; K61-Y63 PolarHBondContact O-N 2.85Å; Y63-L65 HydrophobicContact CD2-CD2 4.29Å; Y63-L65 HydrophobicContact CE2-CD2 3.61Å; Y63-L65 PolarHBondContact O-N 3.36Å; Y63-E85 PolarHBondContact OH-OE2 3.38Å
64	A	89.1	Confident	87.1	Confident	69 Å²	69	76.3 Å²	76.3	57%	0.57	43%	0.427	S	S	*	.	B	Isolated β-bridge	trans	-74.3	123.4	176.1	0	0	0	0	0	109.8	I55	I55-A64 CarbonylContact O-C 3.48Å; I55-A64 WeakPolarHBondContact O-CA 3.31Å
65	L	92	Very high	87	Confident	10 Å²	10	79.9 Å²	79.9	5%	0.052	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-67.3	141	172.3	-61.3	-175.3	0	0	0	110	I55 T57 Y63 I67 V83 E85 L87 Y93	I55-L65 HydrophobicContact CB-CB 4.46Å; I55-L65 HydrophobicContact CG2-CD1 3.87Å; I55-L65 HydrophobicContact CG2-CG 4.39Å; I55-L65 PolarHBondContact O-N 3.07Å; T57-L65 HydrophobicContact CG2-CD2 3.6Å; T57-L65 HydrophobicContact CG2-CG 4.13Å; Y63-L65 HydrophobicContact CD2-CD2 4.29Å; Y63-L65 HydrophobicContact CE2-CD2 3.61Å; Y63-L65 PolarHBondContact O-N 3.36Å; L65-I67 PolarHBondContact O-N 3.24Å; L65-I67 VanDerWaalsContact O-N 3.14Å; L65-V83 HydrophobicContact CB-CG1 4.14Å; L65-V83 HydrophobicContact CD1-CG1 4.39Å; L65-E85 HydrophobicContact CD2-CB 4.38Å; L65-L87 HydrophobicContact CD1-CD2 3.48Å; L65-L87 VanDerWaalsContact CD1-CD2 3.48Å; L65-Y93 HydrophobicContact CD1-CD1 4.04Å; L65-Y93 HydrophobicContact CD1-CE1 3.89Å
66	K	93.5	Very high	86.8	Confident	141 Å²	141	87.7 Å²	87.7	61%	0.613	48%	0.477	S	S	*	.			trans	-70.5	110.8	175.4	-174.8	171.8	-178.4	173.1	0	110.2	V68 V83 K84	K66-V68 PolarHBondContact O-N 3.26Å; K66-V83 WeakPolarHBondContact O-CA 3.45Å; K66-K84 HydrophobicContact CB-CB 4.24Å; K66-K84 HydrophobicContact CD-CD 4.3Å; K66-K84 PolarHBondContact O-N 3.03Å
67	I	95	Very high	86.9	Confident	39 Å²	39	88.9 Å²	88.9	20%	0.2	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	121.5	171	-60.4	175.5	0	0	0	108.4	K53 I55 L65 V70 I81 E82 V83	K53-I67 HydrophobicContact CB-CD1 3.98Å; K53-I67 HydrophobicContact CD-CD1 4.08Å; K53-I67 HydrophobicContact CD-CG2 4.48Å; K53-I67 HydrophobicContact CG-CD1 3.97Å; I55-I67 HydrophobicContact CD1-CG1 4.5Å; L65-I67 PolarHBondContact O-N 3.24Å; L65-I67 VanDerWaalsContact O-N 3.14Å; I67-V70 HydrophobicContact CG2-CG2 3.66Å; I67-I81 HydrophobicContact CD1-CG2 4.17Å; I67-I81 HydrophobicContact CG1-CG2 4.29Å; I67-I81 HydrophobicContact CG2-CG2 3.94Å; I67-E82 CarbonylContact C-O 3.46Å; I67-E82 WeakPolarHBondContact CA-O 3.4Å; I67-V83 HydrophobicContact CG1-CG1 4.39Å
68	V	94.1	Very high	87.3	Confident	87 Å²	87	89.2 Å²	89.2	53%	0.527	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-42.5	-179.7	176.9	0	0	0	0	110.5	K66 E82 K84	K66-V68 PolarHBondContact O-N 3.26Å; V68-E82 PolarHBondContact N-O 2.88Å; V68-K84 HydrophobicContact CG2-CB 3.63Å; V68-K84 HydrophobicContact CG2-CG 4.37Å
69	K	94.1	Very high	88.1	Confident	101 Å²	101	85.4 Å²	85.4	44%	0.439	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	141.6	-170.5	-161	179	-172.5	-177.4	0	111	L71 E82	K69-L71 HydrophobicContact CD-CD1 4.09Å; K69-L71 HydrophobicContact CD-CG 4.18Å; K69-L71 HydrophobicContact CG-CG 4.16Å; K69-E82 HydrophobicContact CB-CB 4.02Å; K69-E82 PolarHBondContact N-O 3.39Å; K69-E82 PolarHBondContact O-N 2.87Å
70	V	94.4	Very high	89.4	Confident	46 Å²	46	85.5 Å²	85.5	28%	0.279	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131	166.8	178.7	0	0	0	0	109.1	K53 I67 L79 Y80 I81	K53-V70 HydrophobicContact CD-CB 4.3Å; K53-V70 HydrophobicContact CD-CG2 3.38Å; I67-V70 HydrophobicContact CG2-CG2 3.66Å; V70-L79 HydrophobicContact CG1-CD1 3.57Å; V70-L79 HydrophobicContact CG1-CG 4.32Å; V70-Y80 CarbonylContact C-O 3.48Å; V70-Y80 VanDerWaalsContact CA-O 3.24Å; V70-Y80 WeakPolarHBondContact CA-O 3.08Å; V70-I81 HydrophobicContact CG1-CG1 4.43Å; V70-I81 HydrophobicContact CG2-CB 4.44Å; V70-I81 HydrophobicContact CG2-CG1 4.2Å; V70-I81 HydrophobicContact CG2-CG2 4.12Å
71	L	94.8	Very high	91.1	Very high	82 Å²	82	78.6 Å²	78.6	43%	0.429	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	134.1	-179.5	-65.7	176.2	0	0	0	109.9	K69 Y80	K69-L71 HydrophobicContact CD-CD1 4.09Å; K69-L71 HydrophobicContact CD-CG 4.18Å; K69-L71 HydrophobicContact CG-CG 4.16Å; L71-Y80 HydrophobicContact CB-CD1 4.32Å; L71-Y80 HydrophobicContact CD1-CD1 4.28Å; L71-Y80 HydrophobicContact CG-CD1 4.41Å; L71-Y80 PolarHBondContact N-O 3.47Å; L71-Y80 PolarHBondContact O-N 3.33Å
72	E	94.1	Very high	92.7	Very high	109 Å²	109	71.2 Å²	71.2	51%	0.509	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	140.8	166.5	-72	177.8	-160.6	0	0	109.7	Q78 L79	E72-Q78 WeakPolarHBondContact CA-O 3.38Å; E72-L79 HydrophobicContact CG-CD1 3.58Å
73	F	94.7	Very high	93.7	Very high	103 Å²	103	70 Å²	70	45%	0.452	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	82.6	174.6	-170	-120.2	0	0	0	109.7	P75 R76 Q77 Q78	F73-P75 HydrophobicContact CE1-CB 4.25Å; F73-P75 HydrophobicContact CE2-CG 4.15Å; F73-P75 HydrophobicContact CZ-CB 4.13Å; F73-P75 HydrophobicContact CZ-CG 4.16Å; F73-R76 HydrophobicContact CD1-CB 3.78Å; F73-R76 HydrophobicContact CD1-CG 3.92Å; F73-R76 HydrophobicContact CE1-CB 4.02Å; F73-R76 HydrophobicContact CE1-CG 3.61Å; F73-R76 PolarHBondContact O-N 2.87Å; F73-R76 VanDerWaalsContact O-N 3.16Å; F73-Q77 PolarHBondContact O-N 3.05Å; F73-Q78 HydrophobicContact CB-CB 4.48Å; F73-Q78 PolarHBondContact N-O 3.46Å; F73-Q78 PolarHBondContact O-N 2.98Å
74	P	91.5	Very high	94.1	Very high	95 Å²	95	71.1 Å²	71.1	62%	0.617	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-53.4	-38.9	-175.4	-26.5	34.1	0	0	0	115.3	R76 Q77	P74-R76 PolarHBondContact O-N 3.05Å; P74-Q77 PolarHBondContact O-N 2.83Å
75	P	91.8	Very high	94.2	Very high	107 Å²	107	72 Å²	72	70%	0.695	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-60.4	-22	-179.8	-26.7	36.1	0	0	0	115.2	F73	F73-P75 HydrophobicContact CE1-CB 4.25Å; F73-P75 HydrophobicContact CE2-CG 4.15Å; F73-P75 HydrophobicContact CZ-CB 4.13Å; F73-P75 HydrophobicContact CZ-CG 4.16Å
76	R	90.8	Very high	94.3	Very high	163 Å²	163	79.4 Å²	79.4	62%	0.615	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-116.1	7.1	171.4	-64.7	-179.7	178.1	-176.6	-2.2	113.1	F73 P74 Q78	F73-R76 HydrophobicContact CD1-CB 3.78Å; F73-R76 HydrophobicContact CD1-CG 3.92Å; F73-R76 HydrophobicContact CE1-CB 4.02Å; F73-R76 HydrophobicContact CE1-CG 3.61Å; F73-R76 PolarHBondContact O-N 2.87Å; F73-R76 VanDerWaalsContact O-N 3.16Å; P74-R76 PolarHBondContact O-N 3.05Å; R76-Q78 VanDerWaalsContact C-N 3.32Å; R76-Q78 HydrophobicContact CB-CG 4.18Å; R76-Q78 WeakPolarHBondContact O-CG 3.42Å; R76-Q78 PolarHBondContact O-N 3.33Å
77	Q	95	Very high	94.3	Very high	59 Å²	59	72.8 Å²	72.8	28%	0.276	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	49	-179.9	-57.2	161.1	-14.2	0	0	111.5	H44 I45 Q46 F73 P74	H44-Q77 CarbonylContact C-O 3.55Å; H44-Q77 VanDerWaalsContact CA-O 3.23Å; H44-Q77 WeakPolarHBondContact CA-O 3.49Å; H44-Q77 PolarHBondContact CD2-O 2.94Å; I45-Q77 PolarHBondContact N-O 3.43Å; I45-Q77 CarbonylContact O-C 3.55Å; I45-Q77 VanDerWaalsContact O-CA 3.31Å; I45-Q77 WeakPolarHBondContact O-CA 3.23Å; I45-Q77 WeakPolarHBondContact O-CB 3.27Å; I45-Q77 VanDerWaalsContact O-O 3.1Å; Q46-Q77 HydrophobicContact CB-CB 4.28Å; Q46-Q77 HydrophobicContact CB-CG 4.23Å; Q46-Q77 HydrophobicContact CG-CG 4.2Å; F73-Q77 PolarHBondContact O-N 3.05Å; P74-Q77 PolarHBondContact O-N 2.83Å
78	Q	96.4	Very high	94.2	Very high	25 Å²	25	77.5 Å²	77.5	12%	0.117	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.6	-172.9	-79.6	172	-6.7	0	0	112.3	L2 V42 L43 E72 F73 R76	L2-Q78 HydrophobicContact CD2-CG 4.19Å; V42-Q78 HydrophobicContact CG1-CB 4.06Å; V42-Q78 HydrophobicContact CG1-CG 4.1Å; L43-Q78 CarbonylContact O-C 3.59Å; L43-Q78 WeakPolarHBondContact O-CA 3.14Å; E72-Q78 WeakPolarHBondContact CA-O 3.38Å; F73-Q78 HydrophobicContact CB-CB 4.48Å; F73-Q78 PolarHBondContact N-O 3.46Å; F73-Q78 PolarHBondContact O-N 2.98Å; R76-Q78 VanDerWaalsContact C-N 3.32Å; R76-Q78 HydrophobicContact CB-CG 4.18Å; R76-Q78 WeakPolarHBondContact O-CG 3.42Å; R76-Q78 PolarHBondContact O-N 3.33Å
79	L	96.3	Very high	94.2	Very high	1 Å²	1	79.3 Å²	79.3	1%	0.005	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.3	169.4	-174.2	68.7	0	0	0	109.1	V42 L43 I45 V50 V70 E72 I81 L97	V42-L79 VanDerWaalsContact CA-O 3.3Å; V42-L79 WeakPolarHBondContact CA-O 3.02Å; L43-L79 HydrophobicContact CG-CB 4.35Å; L43-L79 PolarHBondContact N-O 2.75Å; L43-L79 VanDerWaalsContact N-O 3.08Å; L43-L79 PolarHBondContact O-N 2.9Å; I45-L79 HydrophobicContact CB-CB 4.36Å; I45-L79 HydrophobicContact CG2-CB 3.74Å; V50-L79 HydrophobicContact CG2-CD2 4.29Å; V70-L79 HydrophobicContact CG1-CD1 3.57Å; V70-L79 HydrophobicContact CG1-CG 4.32Å; E72-L79 HydrophobicContact CG-CD1 3.58Å; L79-I81 HydrophobicContact CD2-CD1 4.05Å; L79-I81 HydrophobicContact CD2-CG1 4.26Å; L79-I81 HydrophobicContact CG-CG1 4.19Å; L79-L97 HydrophobicContact CD2-CD1 4.4Å
80	Y	96.9	Very high	94.2	Very high	58 Å²	58	82.2 Å²	82.2	23%	0.227	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.4	174.8	171.6	-87.3	0	0	0	109.7	F40 V42 V70 L71 E82	F40-Y80 HydrophobicContact CB-CD2 4.19Å; F40-Y80 HydrophobicContact CB-CE2 3.39Å; F40-Y80 HydrophobicContact CD1-CE2 4.17Å; F40-Y80 HydrophobicContact CD2-CD2 4.11Å; F40-Y80 AromaticContact CD2-CE2 3.66Å; F40-Y80 HydrophobicContact CD2-CE2 3.66Å; F40-Y80 HydrophobicContact CE2-CE2 4.5Å; F40-Y80 HydrophobicContact CG-CD2 4.32Å; F40-Y80 AromaticContact CG-CE2 3.47Å; F40-Y80 HydrophobicContact CG-CE2 3.47Å; F40-Y80 VanDerWaalsContact CG-CE2 3.47Å; V42-Y80 HydrophobicContact CG2-CD2 3.82Å; V70-Y80 CarbonylContact C-O 3.48Å; V70-Y80 VanDerWaalsContact CA-O 3.24Å; V70-Y80 WeakPolarHBondContact CA-O 3.08Å; L71-Y80 HydrophobicContact CB-CD1 4.32Å; L71-Y80 HydrophobicContact CD1-CD1 4.28Å; L71-Y80 HydrophobicContact CG-CD1 4.41Å; L71-Y80 PolarHBondContact N-O 3.47Å; L71-Y80 PolarHBondContact O-N 3.33Å; Y80-E82 HydrophobicContact CE1-CB 3.6Å; Y80-E82 HydrophobicContact CE1-CG 4.45Å; Y80-E82 VanDerWaalsContact OH-CD 3.28Å; Y80-E82 PolarHBondContact OH-OE2 3.43Å
81	I	96.6	Very high	94.1	Very high	1 Å²	1	81.7 Å²	81.7	1%	0.005	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.2	177.7	-54.6	174.8	0	0	0	108.6	F40 I41 L43 I55 I67 V70 L79 L95 L97	F40-I81 CarbonylContact C-O 3.51Å; F40-I81 WeakPolarHBondContact CA-O 3.31Å; I41-I81 PolarHBondContact N-O 2.89Å; I41-I81 PolarHBondContact O-N 3.16Å; L43-I81 HydrophobicContact CD2-CD1 4.31Å; I55-I81 HydrophobicContact CD1-CG2 3.74Å; I67-I81 HydrophobicContact CD1-CG2 4.17Å; I67-I81 HydrophobicContact CG1-CG2 4.29Å; I67-I81 HydrophobicContact CG2-CG2 3.94Å; V70-I81 HydrophobicContact CG1-CG1 4.43Å; V70-I81 HydrophobicContact CG2-CB 4.44Å; V70-I81 HydrophobicContact CG2-CG1 4.2Å; V70-I81 HydrophobicContact CG2-CG2 4.12Å; L79-I81 HydrophobicContact CD2-CD1 4.05Å; L79-I81 HydrophobicContact CD2-CG1 4.26Å; L79-I81 HydrophobicContact CG-CG1 4.19Å; I81-L95 HydrophobicContact CD1-CD1 3.95Å; I81-L95 HydrophobicContact CD1-CD2 4.44Å; I81-L97 HydrophobicContact CD1-CD2 4.08Å
82	E	96.6	Very high	94.1	Very high	46 Å²	46	81.2 Å²	81.2	22%	0.215	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135.2	178.9	-172.4	170.8	177.7	0	0	111.4	N39 I67 V68 K69 Y80	N39-E82 PolarHBondContact ND2-OE1 3.06Å; N39-E82 VanDerWaalsContact ND2-OE1 3.13Å; N39-E82 CarbonylContact O-C 3.52Å; N39-E82 WeakPolarHBondContact O-CA 3.45Å; I67-E82 CarbonylContact C-O 3.46Å; I67-E82 WeakPolarHBondContact CA-O 3.4Å; V68-E82 PolarHBondContact N-O 2.88Å; K69-E82 HydrophobicContact CB-CB 4.02Å; K69-E82 PolarHBondContact N-O 3.39Å; K69-E82 PolarHBondContact O-N 2.87Å; Y80-E82 HydrophobicContact CE1-CB 3.6Å; Y80-E82 HydrophobicContact CE1-CG 4.45Å; Y80-E82 VanDerWaalsContact OH-CD 3.28Å; Y80-E82 PolarHBondContact OH-OE2 3.43Å
83	V	95.8	Very high	94.2	Very high	2 Å²	2	76.9 Å²	76.9	1%	0.012	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	148.8	178.9	-71.9	0	0	0	0	111.1	N39 I55 L65 K66 I67 E85 L87	N39-V83 VanDerWaalsContact O-CG2 3.22Å; N39-V83 WeakPolarHBondContact O-CG2 3.23Å; N39-V83 PolarHBondContact O-N 2.88Å; I55-V83 HydrophobicContact CD1-CG1 3.44Å; I55-V83 VanDerWaalsContact CD1-CG1 3.44Å; L65-V83 HydrophobicContact CB-CG1 4.14Å; L65-V83 HydrophobicContact CD1-CG1 4.39Å; K66-V83 WeakPolarHBondContact O-CA 3.45Å; I67-V83 HydrophobicContact CG1-CG1 4.39Å; V83-E85 WeakPolarHBondContact CG2-O 3.44Å; V83-L87 HydrophobicContact CG2-CD2 3.97Å; V83-L87 HydrophobicContact CG2-CG 3.97Å
84	K	93.2	Very high	94.2	Very high	150 Å²	150	73.6 Å²	73.6	65%	0.652	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	-42.3	-179.7	-172.5	-179.5	177.2	-172.1	0	111.7	K66 V68	K66-K84 HydrophobicContact CB-CB 4.24Å; K66-K84 HydrophobicContact CD-CD 4.3Å; K66-K84 PolarHBondContact O-N 3.03Å; V68-K84 HydrophobicContact CG2-CB 3.63Å; V68-K84 HydrophobicContact CG2-CG 4.37Å
85	E	91.8	Very high	94.5	Very high	86 Å²	86	69.1 Å²	69.1	40%	0.402	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	133.4	178	-70.2	171	-150.6	0	0	109.5	Y63 L65 V83 L87	Y63-E85 PolarHBondContact OH-OE2 3.38Å; L65-E85 HydrophobicContact CD2-CB 4.38Å; V83-E85 WeakPolarHBondContact CG2-O 3.44Å; E85-L87 PolarHBondContact O-N 3.08Å
86	R	92.4	Very high	94.7	Very high	167 Å²	167	66.2 Å²	66.2	63%	0.63	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	133.7	177.2	-73.5	-172.6	170.3	-176.6	-2.9	110.9	E37 N39 K88	E37-R86 HydrophobicContact CG-CB 4.33Å; E37-R86 WeakPolarHBondContact OE1-CD 3.38Å; E37-R86 IonicContact OE1-NH1 2.62Å; E37-R86 PolarHBondContact OE1-NH1 3.03Å; N39-R86 HydrophobicContact CB-CG 4.24Å; R86-K88 PolarHBondContact O-N 2.92Å
87	L	93.7	Very high	95	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	116.2	169.8	-54.3	-179.5	0	0	0	108.4	V34 E37 T38 I41 L65 V83 E85 Y93	V34-L87 HydrophobicContact CG1-CB 4.22Å; V34-L87 HydrophobicContact CG2-CB 3.91Å; V34-L87 HydrophobicContact CG2-CD1 4.44Å; E37-L87 WeakPolarHBondContact CA-O 3.29Å; E37-L87 WeakPolarHBondContact CG-O 3.41Å; T38-L87 HydrophobicContact CG2-CB 4.26Å; T38-L87 HydrophobicContact CG2-CD1 4.14Å; T38-L87 PolarHBondContact N-O 3.12Å; T38-L87 WeakPolarHBondContact O-CA 3.1Å; T38-L87 VanDerWaalsContact O-CB 3.24Å; T38-L87 WeakPolarHBondContact O-CB 3.48Å; T38-L87 PolarHBondContact O-N 3.26Å; I41-L87 HydrophobicContact CD1-CD1 3.91Å; I41-L87 HydrophobicContact CG1-CD1 3.73Å; L65-L87 HydrophobicContact CD1-CD2 3.48Å; L65-L87 VanDerWaalsContact CD1-CD2 3.48Å; V83-L87 HydrophobicContact CG2-CD2 3.97Å; V83-L87 HydrophobicContact CG2-CG 3.97Å; E85-L87 PolarHBondContact O-N 3.08Å; L87-Y93 HydrophobicContact CB-CE2 3.99Å; L87-Y93 HydrophobicContact CD2-CD1 3.9Å; L87-Y93 HydrophobicContact CD2-CD2 4.17Å; L87-Y93 HydrophobicContact CD2-CE1 3.75Å; L87-Y93 HydrophobicContact CD2-CE2 4.04Å; L87-Y93 HydrophobicContact CD2-CG 4.1Å
88	K	93.3	Very high	95.2	Very high	139 Å²	139	60.6 Å²	60.6	60%	0.604	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-72.8	137.8	-174.5	-65.8	-176.7	-178.4	178.7	0	110.4	V34 R86 S91 Y93	V34-K88 WeakPolarHBondContact CB-O 3.49Å; V34-K88 WeakPolarHBondContact CG1-O 3.35Å; R86-K88 PolarHBondContact O-N 2.92Å; K88-S91 WeakPolarHBondContact CB-OG 3.42Å; K88-S91 VanDerWaalsContact O-CB 3.27Å; K88-S91 WeakPolarHBondContact O-CB 3.28Å; K88-S91 PolarHBondContact O-N 3.35Å; K88-S91 PolarHBondContact O-OG 2.89Å; K88-Y93 PolarHBondContact N-OH 3.25Å
89	K	94.8	Very high	95.2	Very high	124 Å²	124	59.7 Å²	59.7	54%	0.539	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	144.8	172.6	177.7	170.2	-177.3	-177	0	111	E35 E37 S91	E35-K89 VanDerWaalsContact O-CE 3.27Å; E35-K89 WeakPolarHBondContact O-CE 3.45Å; E35-K89 WeakPolarHBondContact O-CG 3.49Å; E37-K89 HydrophobicContact CB-CB 4.38Å; K89-S91 PolarHBondContact O-N 2.93Å
90	K	92.8	Very high	95.2	Very high	162 Å²	162	63.2 Å²	63.2	70%	0.704	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	20.6	-177.5	-65.7	174.7	178.4	-173.9	0	114.3	V34	V34-K90 PolarHBondContact O-N 3.13Å
91	S	93.1	Very high	95.2	Very high	35 Å²	35	61 Å²	61	25%	0.245	27%	0.273	C	S	.	.			trans	-109.2	151.6	176.3	-55.9	0	0	0	0	110.9	V34 K88 K89	V34-S91 PolarHBondContact N-O 2.89Å; K88-S91 WeakPolarHBondContact CB-OG 3.42Å; K88-S91 VanDerWaalsContact O-CB 3.27Å; K88-S91 WeakPolarHBondContact O-CB 3.28Å; K88-S91 PolarHBondContact O-N 3.35Å; K88-S91 PolarHBondContact O-OG 2.89Å; K89-S91 PolarHBondContact O-N 2.93Å
92	N	94.9	Very high	95.2	Very high	73 Å²	73	67.7 Å²	67.7	39%	0.39	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	148.4	177.4	-64.5	-8.9	0	0	0	110.5	L32 H33 P58	L32-N92 CarbonylContact O-C 3.53Å; L32-N92 WeakPolarHBondContact O-CA 3.43Å; H33-N92 PolarHBondContact ND1-OD1 2.63Å; P58-N92 HydrophobicContact CB-CB 4.49Å; P58-N92 WeakPolarHBondContact CD-O 3.41Å; P58-N92 WeakPolarHBondContact CG-O 3.24Å
93	Y	95.8	Very high	95.1	Very high	17 Å²	17	65.9 Å²	65.9	7%	0.067	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	159.4	175.8	-65.8	-93.3	0	0	0	109.3	L32 V34 I55 T57 L65 L87 K88	L32-Y93 WeakPolarHBondContact CB-O 3.49Å; L32-Y93 PolarHBondContact N-O 3.43Å; L32-Y93 PolarHBondContact O-N 3.41Å; V34-Y93 HydrophobicContact CG2-CD2 3.58Å; V34-Y93 HydrophobicContact CG2-CE2 3.73Å; I55-Y93 HydrophobicContact CG2-CD1 4.42Å; T57-Y93 HydrophobicContact CG2-CD1 4.47Å; T57-Y93 HydrophobicContact CG2-CE1 4.14Å; L65-Y93 HydrophobicContact CD1-CD1 4.04Å; L65-Y93 HydrophobicContact CD1-CE1 3.89Å; L87-Y93 HydrophobicContact CB-CE2 3.99Å; L87-Y93 HydrophobicContact CD2-CD1 3.9Å; L87-Y93 HydrophobicContact CD2-CD2 4.17Å; L87-Y93 HydrophobicContact CD2-CE1 3.75Å; L87-Y93 HydrophobicContact CD2-CE2 4.04Å; L87-Y93 HydrophobicContact CD2-CG 4.1Å; K88-Y93 PolarHBondContact N-OH 3.25Å
94	T	96.1	Very high	95	Very high	35 Å²	35	67 Å²	67	22%	0.215	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.8	176.3	-59.4	0	0	0	0	109.7	T29 I30 D31 I55 V56	T29-T94 HydrophobicContact CG2-CG2 3.35Å; I30-T94 WeakPolarHBondContact O-CA 3.48Å; D31-T94 PolarHBondContact OD1-OG1 2.94Å; I55-T94 CarbonylContact C-O 3.56Å; I55-T94 WeakPolarHBondContact CA-O 3.33Å; V56-T94 PolarHBondContact N-O 3.47Å; V56-T94 PolarHBondContact O-N 3.03Å
95	L	96.6	Very high	94.8	Very high	0 Å²	0	65 Å²	65	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	119.9	175.8	171.5	64.2	0	0	0	109.7	T29 I30 L32 L43 I55 I81 L97	T29-L95 CarbonylContact C-O 3.46Å; T29-L95 WeakPolarHBondContact CA-O 3.32Å; I30-L95 HydrophobicContact CB-CB 4.43Å; I30-L95 HydrophobicContact CD1-CD2 4.34Å; I30-L95 PolarHBondContact N-O 2.99Å; I30-L95 PolarHBondContact O-N 3.3Å; L32-L95 HydrophobicContact CD1-CB 3.68Å; L32-L95 HydrophobicContact CD1-CD2 4.38Å; L32-L95 HydrophobicContact CG-CB 4.39Å; L43-L95 HydrophobicContact CD2-CD2 3.78Å; I55-L95 HydrophobicContact CD1-CD1 4.34Å; I55-L95 HydrophobicContact CG1-CD1 3.62Å; I81-L95 HydrophobicContact CD1-CD1 3.95Å; I81-L95 HydrophobicContact CD1-CD2 4.44Å; L95-L97 HydrophobicContact CD1-CD2 4Å; L95-L97 HydrophobicContact CD1-CG 4.09Å; L95-L97 HydrophobicContact CD2-CD1 4.15Å; L95-L97 HydrophobicContact CD2-CG 4.43Å; L95-L97 HydrophobicContact CG-CD1 4.35Å; L95-L97 HydrophobicContact CG-CG 4.09Å
96	N	96.8	Very high	94.7	Very high	46 Å²	46	66.8 Å²	66.8	25%	0.246	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124	175.2	-64.6	-37.7	0	0	0	109.5	V28 T29 K53 A54	V28-N96 WeakPolarHBondContact O-CA 3.47Å; T29-N96 WeakPolarHBondContact CG2-OD1 3.39Å; T29-N96 PolarHBondContact OG1-OD1 2.82Å; K53-N96 WeakPolarHBondContact CA-O 3.37Å; A54-N96 HydrophobicContact CB-CB 4.36Å; A54-N96 PolarHBondContact N-O 2.84Å; A54-N96 PolarHBondContact O-N 2.87Å
97	L	97.4	Very high	94.5	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	133.5	173.4	-60.7	173.1	0	0	0	109.3	Q27 V28 L43 V50 E52 K53 L79 I81 L95 P140	Q27-L97 CarbonylContact C-O 3.25Å; Q27-L97 WeakPolarHBondContact CA-O 3.42Å; V28-L97 HydrophobicContact CG1-CB 3.81Å; V28-L97 HydrophobicContact CG1-CD1 4.38Å; V28-L97 PolarHBondContact N-O 2.9Å; V28-L97 PolarHBondContact O-N 2.67Å; L43-L97 HydrophobicContact CD1-CD1 4.03Å; L43-L97 HydrophobicContact CD2-CD1 4.46Å; V50-L97 HydrophobicContact CG1-CD2 4.09Å; E52-L97 WeakPolarHBondContact O-CA 3.4Å; K53-L97 HydrophobicContact CB-CD2 3.89Å; L79-L97 HydrophobicContact CD2-CD1 4.4Å; I81-L97 HydrophobicContact CD1-CD2 4.08Å; L95-L97 HydrophobicContact CD1-CD2 4Å; L95-L97 HydrophobicContact CD1-CG 4.09Å; L95-L97 HydrophobicContact CD2-CD1 4.15Å; L95-L97 HydrophobicContact CD2-CG 4.43Å; L95-L97 HydrophobicContact CG-CD1 4.35Å; L95-L97 HydrophobicContact CG-CG 4.09Å; L97-P140 HydrophobicContact CD1-CB 3.78Å; L97-P140 HydrophobicContact CD1-CG 4.21Å
98	R	98	Very high	94.4	Very high	104 Å²	104	61.9 Å²	61.9	39%	0.392	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	141	163.7	-63.7	-169	176	156.3	-6.2	109.4	G26 Q27 V50 T51 E52	G26-R98 WeakPolarHBondContact O-CA 3.06Å; Q27-R98 HydrophobicContact CB-CG 4.06Å; Q27-R98 HydrophobicContact CG-CG 3.97Å; V50-R98 CarbonylContact C-O 3.58Å; V50-R98 WeakPolarHBondContact CA-O 3.13Å; T51-R98 PolarHBondContact N-O 3.26Å; T51-R98 PolarHBondContact OG1-O 3.44Å; E52-R98 HydrophobicContact CB-CB 3.97Å; E52-R98 HydrophobicContact CB-CG 4.16Å; E52-R98 VanDerWaalsContact CD-NH1 3.32Å; E52-R98 HydrophobicContact CG-CB 4.47Å; E52-R98 PolarHBondContact N-O 2.92Å; E52-R98 PolarHBondContact O-N 3.39Å; E52-R98 IonicContact OE1-CZ 3.77Å; E52-R98 IonicContact OE1-NH1 3.47Å; E52-R98 PolarHBondContact OE1-NH1 3.31Å; E52-R98 WeakPolarHBondContact OE2-CD 3.06Å; E52-R98 IonicContact OE2-CZ 2.76Å; E52-R98 IonicContact OE2-NE 3.1Å; E52-R98 IonicContact OE2-NH1 3.35Å; E52-R98 PolarHBondContact OE2-NH1 2.92Å
99	W	97.2	Very high	94.3	Very high	5 Å²	5	55.3 Å²	55.3	2%	0.019	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	162.4	177.8	77.9	95.7	0	0	0	111.9	V13 G26 Q27 V28 L48 N49 A138 F139 P140	V13-W99 HydrophobicContact CG1-CH2 4.14Å; G26-W99 PolarHBondContact N-O 2.92Å; G26-W99 PolarHBondContact O-N 3.49Å; Q27-W99 VanDerWaalsContact N-CZ3 3.33Å; V28-W99 HydrophobicContact CB-CH2 4.47Å; V28-W99 HydrophobicContact CB-CZ3 3.79Å; V28-W99 HydrophobicContact CG1-CE3 4.33Å; V28-W99 HydrophobicContact CG1-CZ3 3.85Å; L48-W99 HydrophobicContact CB-CB 4.49Å; L48-W99 HydrophobicContact CB-CG 4.39Å; L48-W99 HydrophobicContact CD1-CG 4.46Å; N49-W99 CarbonylContact O-C 3.58Å; N49-W99 WeakPolarHBondContact O-CA 3.33Å; N49-W99 WeakPolarHBondContact O-CB 3.26Å; W99-A138 VanDerWaalsContact CZ2-O 3.26Å; W99-A138 WeakPolarHBondContact CZ2-O 3.34Å; W99-A138 PolarHBondContact NE1-O 3.31Å; W99-F139 HydrophobicContact CH2-CB 3.54Å; W99-F139 HydrophobicContact CZ2-CB 3.65Å; W99-F139 HydrophobicContact CZ3-CB 4.23Å; W99-P140 HydrophobicContact CE3-CG 4.33Å
100	Y	96.8	Very high	94.4	Very high	76 Å²	76	49.8 Å²	49.8	30%	0.298	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.1	170	173.4	-94.7	0	0	0	109	D23 V24 K25 N49	D23-Y100 HydrophobicContact CB-CE2 3.75Å; D23-Y100 PolarHBondContact OD1-OH 3.34Å; D23-Y100 PolarHBondContact OD2-OH 2.9Å; V24-Y100 WeakPolarHBondContact O-CA 3.43Å; K25-Y100 HydrophobicContact CG-CD2 4.15Å; N49-Y100 WeakPolarHBondContact CB-O 3.41Å; N49-Y100 PolarHBondContact N-O 3.25Å; N49-Y100 PolarHBondContact O-N 2.86Å
101	S	96.1	Very high	94.5	Very high	11 Å²	11	42.1 Å²	42.1	8%	0.077	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	179.1	174.7	62.5	0	0	0	0	110.6	V24	V24-S101 PolarHBondContact N-O 3.1Å; V24-S101 PolarHBondContact O-N 2.76Å
102	K	96.2	Very high	94.7	Very high	142 Å²	142	41.5 Å²	41.5	62%	0.617	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	153	168.9	-69.8	-164	170.4	-162.1	0	110.4	L22 D23 N104	L22-K102 CarbonylContact O-C 3.59Å; L22-K102 WeakPolarHBondContact O-CA 3.31Å; D23-K102 WeakPolarHBondContact OD1-CE 3.19Å; K102-N104 PolarHBondContact O-N 3.41Å
103	L	95.3	Very high	94.6	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.042	19%	0.188	C	C	.	.			trans	-62	132.8	169.7	-68.5	171.8	0	0	0	109.7	L19 L22 V24 F110 V112 A126	L19-L103 HydrophobicContact CD2-CD1 3.88Å; L22-L103 HydrophobicContact CB-CB 4.48Å; L22-L103 HydrophobicContact CD2-CD1 4.22Å; L22-L103 PolarHBondContact O-N 3.28Å; V24-L103 HydrophobicContact CG2-CD2 3.63Å; V24-L103 HydrophobicContact CG2-CG 3.79Å; L103-F110 HydrophobicContact CD2-CD1 3.6Å; L103-F110 HydrophobicContact CD2-CD2 4.04Å; L103-F110 HydrophobicContact CD2-CE1 3.6Å; L103-F110 HydrophobicContact CD2-CE2 4.03Å; L103-F110 HydrophobicContact CD2-CG 3.82Å; L103-F110 HydrophobicContact CD2-CZ 3.81Å; L103-V112 HydrophobicContact CB-CB 3.96Å; L103-V112 HydrophobicContact CB-CG1 4.26Å; L103-V112 HydrophobicContact CD1-CB 4Å; L103-A126 HydrophobicContact CD1-CB 3.9Å; L103-A126 HydrophobicContact CD2-CB 3.89Å
104	N	92.2	Very high	94.4	Very high	26 Å²	26	42.9 Å²	42.9	14%	0.139	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-69.1	136	175.1	-172.6	4.3	0	0	0	109.6	K102 E106 E108 F110 Y111 V112 R137	K102-N104 PolarHBondContact O-N 3.41Å; N104-E106 VanDerWaalsContact C-N 3.31Å; N104-E106 PolarHBondContact ND2-O 3.16Å; N104-E106 PolarHBondContact OD1-N 3.5Å; N104-E108 PolarHBondContact ND2-O 3.39Å; N104-F110 PolarHBondContact N-O 3.32Å; N104-Y111 CarbonylContact O-C 3.54Å; N104-Y111 WeakPolarHBondContact O-CA 3.23Å; N104-Y111 WeakPolarHBondContact O-CB 3.34Å; N104-V112 PolarHBondContact O-N 2.87Å; N104-R137 PolarHBondContact ND2-NH1 3.38Å; N104-R137 PolarHBondContact ND2-NH2 2.93Å; N104-R137 VanDerWaalsContact ND2-NH2 3.18Å
105	P	90.3	Very high	94.1	Very high	107 Å²	107	42.5 Å²	42.5	70%	0.695	21%	0.205	S	C	*	.	S	Bend	trans	-73.8	-22	170.1	28.3	-36.7	0	0	0	113.3
106	E	89.2	Confident	93.6	Very high	124 Å²	124	48.9 Å²	48.9	58%	0.579	24%	0.235	S	C	*	.	S	Bend	trans	-88.9	148.6	177	-64.7	-174.7	170.7	0	0	111.3	N104 E108 Y111	N104-E106 VanDerWaalsContact C-N 3.31Å; N104-E106 PolarHBondContact ND2-O 3.16Å; N104-E106 PolarHBondContact OD1-N 3.5Å; E106-E108 PolarHBondContact O-N 3.21Å; E106-Y111 WeakPolarHBondContact O-CB 3.13Å
107	P	89.1	Confident	92.8	Very high	28 Å²	28	47.7 Å²	47.7	18%	0.182	23%	0.23	C	C	.	.	S	Bend	trans	-72.9	58.3	-176.5	33.7	-39.6	0	0	0	113.3	Y111 V129 S357	P107-Y111 HydrophobicContact CB-CD2 4.26Å; P107-Y111 HydrophobicContact CB-CE1 4.46Å; P107-Y111 HydrophobicContact CB-CE2 3.98Å; P107-V129 WeakPolarHBondContact O-CG1 3.39Å; P107-S357 WeakPolarHBondContact CB-O 3.33Å; P107-S357 WeakPolarHBondContact CG-O 3.29Å
108	E	89.7	Confident	91.7	Very high	37 Å²	37	51.5 Å²	51.5	17%	0.173	26%	0.257	C	S	.	.	S	Bend	trans	-149.4	142.3	177	-177.1	171.8	-128.5	0	0	111.7	N104 E106 V129 R131 R137	N104-E108 PolarHBondContact ND2-O 3.39Å; E106-E108 PolarHBondContact O-N 3.21Å; E108-V129 CarbonylContact C-O 3.6Å; E108-V129 WeakPolarHBondContact CA-O 3.37Å; E108-R131 WeakPolarHBondContact OE1-CD 3.5Å; E108-R131 IonicContact OE1-CZ 3.58Å; E108-R131 IonicContact OE1-NE 3.01Å; E108-R131 IonicContact OE1-NH1 3.59Å; E108-R131 PolarHBondContact OE1-NH1 3.32Å; E108-R131 IonicContact OE2-NH1 2.77Å; E108-R131 PolarHBondContact OE2-NH1 2.91Å; E108-R137 IonicContact OE2-CZ 3.05Å; E108-R137 IonicContact OE2-NH1 3.35Å; E108-R137 PolarHBondContact OE2-NH1 3.31Å
109	G	92.8	Very high	90.9	Very high	1 Å²	1	53 Å²	53	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76	-134	-175.6	0	0	0	0	0	109.7	T128 V129 F130	G109-T128 VanDerWaalsContact O-CA 3.26Å; G109-T128 WeakPolarHBondContact O-CA 3.41Å; G109-V129 PolarHBondContact N-O 3.36Å; G109-V129 PolarHBondContact O-N 2.83Å; G109-F130 WeakPolarHBondContact O-CE1 3.39Å
110	F	95.9	Very high	90.1	Very high	8 Å²	8	54.9 Å²	54.9	4%	0.035	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	110.3	170.3	-173.4	-148.1	0	0	0	108.9	I15 P17 V24 L103 N104 A126 A127 T128 A138 W201	I15-F110 HydrophobicContact CG2-CE1 3.8Å; I15-F110 HydrophobicContact CG2-CZ 4.36Å; P17-F110 HydrophobicContact CB-CE1 3.94Å; P17-F110 HydrophobicContact CB-CZ 3.8Å; P17-F110 HydrophobicContact CG-CE1 4.44Å; P17-F110 HydrophobicContact CG-CZ 4.01Å; V24-F110 HydrophobicContact CB-CE1 4.47Å; V24-F110 HydrophobicContact CG1-CD1 4.07Å; V24-F110 HydrophobicContact CG1-CE1 3.88Å; V24-F110 HydrophobicContact CG2-CD1 3.84Å; V24-F110 HydrophobicContact CG2-CE1 3.69Å; L103-F110 HydrophobicContact CD2-CD1 3.6Å; L103-F110 HydrophobicContact CD2-CD2 4.04Å; L103-F110 HydrophobicContact CD2-CE1 3.6Å; L103-F110 HydrophobicContact CD2-CE2 4.03Å; L103-F110 HydrophobicContact CD2-CG 3.82Å; L103-F110 HydrophobicContact CD2-CZ 3.81Å; N104-F110 PolarHBondContact N-O 3.32Å; F110-A126 HydrophobicContact CD2-CB 4.45Å; F110-A126 HydrophobicContact CE2-CB 3.55Å; F110-A126 HydrophobicContact CZ-CB 3.79Å; F110-A127 WeakPolarHBondContact CD2-O 3.31Å; F110-T128 HydrophobicContact CB-CG2 4.37Å; F110-T128 HydrophobicContact CD2-CG2 3.85Å; F110-T128 HydrophobicContact CG-CG2 4.39Å; F110-A138 HydrophobicContact CB-CB 3.76Å; F110-W201 AromaticContact CD2-NE1 3.45Å; F110-W201 AromaticContact CE1-NE1 3.86Å; F110-W201 AromaticContact CE2-CD1 3.7Å; F110-W201 AromaticContact CE2-NE1 3.18Å; F110-W201 HydrophobicContact CG-CZ2 4.31Å; F110-W201 AromaticContact CG-NE1 3.92Å; F110-W201 AromaticContact CZ-NE1 3.41Å
111	Y	95.7	Very high	89.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	158.6	-164.2	84.9	-83.4	0	0	0	111.8	N104 E106 P107 D113 A126 A127 V129	N104-Y111 CarbonylContact O-C 3.54Å; N104-Y111 WeakPolarHBondContact O-CA 3.23Å; N104-Y111 WeakPolarHBondContact O-CB 3.34Å; E106-Y111 WeakPolarHBondContact O-CB 3.13Å; P107-Y111 HydrophobicContact CB-CD2 4.26Å; P107-Y111 HydrophobicContact CB-CE1 4.46Å; P107-Y111 HydrophobicContact CB-CE2 3.98Å; Y111-D113 HydrophobicContact CD2-CB 4.37Å; Y111-D113 HydrophobicContact CE2-CB 3.56Å; Y111-D113 WeakPolarHBondContact CE2-OD2 3.13Å; Y111-D113 PolarHBondContact OH-OD2 3.38Å; Y111-A126 VanDerWaalsContact O-CA 3.26Å; Y111-A126 WeakPolarHBondContact O-CA 3.39Å; Y111-A127 HydrophobicContact CD1-CB 4.45Å; Y111-A127 WeakPolarHBondContact CD1-O 3.29Å; Y111-A127 HydrophobicContact CE1-CB 3.78Å; Y111-A127 PolarHBondContact N-O 3.43Å; Y111-A127 PolarHBondContact O-N 2.95Å; Y111-V129 HydrophobicContact CD1-CG2 4.46Å; Y111-V129 HydrophobicContact CE1-CB 4.2Å; Y111-V129 HydrophobicContact CE1-CG2 3.7Å
112	V	96.4	Very high	89.3	Confident	22 Å²	22	61.7 Å²	61.7	13%	0.133	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.8	172.2	60	0	0	0	0	109.2	L22 L103 N104 L124 L125	L22-V112 HydrophobicContact CD2-CB 4.31Å; L22-V112 HydrophobicContact CD2-CG2 3.9Å; L103-V112 HydrophobicContact CB-CB 3.96Å; L103-V112 HydrophobicContact CB-CG1 4.26Å; L103-V112 HydrophobicContact CD1-CB 4Å; N104-V112 PolarHBondContact O-N 2.87Å; V112-L124 HydrophobicContact CG2-CB 4.47Å; V112-L124 HydrophobicContact CG2-CD2 4.07Å; V112-L125 WeakPolarHBondContact CA-O 3.38Å
113	D	93.7	Very high	89.1	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.016	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	160.3	172.7	-147.1	-23.3	0	0	0	109.3	Y111 L125 P356 S357	Y111-D113 HydrophobicContact CD2-CB 4.37Å; Y111-D113 HydrophobicContact CE2-CB 3.56Å; Y111-D113 WeakPolarHBondContact CE2-OD2 3.13Å; Y111-D113 PolarHBondContact OH-OD2 3.38Å; D113-L125 HydrophobicContact CB-CD1 3.76Å; D113-L125 HydrophobicContact CB-CD2 4.09Å; D113-L125 HydrophobicContact CB-CG 3.73Å; D113-L125 PolarHBondContact N-O 3.32Å; D113-L125 PolarHBondContact O-N 3.38Å; D113-P356 WeakPolarHBondContact OD2-CD 3.21Å; D113-S357 VanDerWaalsContact OD1-CB 3.23Å; D113-S357 WeakPolarHBondContact OD1-CB 3.46Å; D113-S357 PolarHBondContact OD1-N 3.2Å; D113-S357 PolarHBondContact OD1-OG 3.03Å; D113-S357 PolarHBondContact OD2-N 3.43Å
114	Q	92	Very high	89	Confident	117 Å²	117	62.5 Å²	62.5	55%	0.547	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.6	-177.6	66.7	-177.3	16.8	0	0	111.3	R123 L124 P356	Q114-R123 WeakPolarHBondContact CA-O 3.38Å; Q114-L124 HydrophobicContact CB-CD2 3.92Å; Q114-P356 WeakPolarHBondContact O-CG 3.26Å
115	Y	89.8	Confident	89.2	Confident	27 Å²	27	61.2 Å²	61.2	11%	0.106	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156	174.2	74.1	-79.7	0	0	0	111.2	R123 L125 D205 F206 P316	Y115-R123 HydrophobicContact CD1-CB 3.89Å; Y115-R123 HydrophobicContact CE1-CB 3.39Å; Y115-R123 HydrophobicContact CE1-CG 4.32Å; Y115-R123 HydrophobicContact CE2-CB 4.14Å; Y115-R123 HydrophobicContact CE2-CG 4.35Å; Y115-R123 HydrophobicContact CG-CB 4.48Å; Y115-R123 PolarHBondContact N-O 3.15Å; Y115-R123 PolarHBondContact O-N 3.48Å; Y115-L125 HydrophobicContact CD1-CD2 3.78Å; Y115-L125 HydrophobicContact CE1-CD2 4.13Å; Y115-D205 PolarHBondContact OH-OD1 3.36Å; Y115-F206 AromaticContact CD1-CE1 3.9Å; Y115-F206 HydrophobicContact CD1-CE1 3.9Å; Y115-F206 HydrophobicContact CE1-CD1 4.08Å; Y115-F206 AromaticContact CE1-CE1 3.5Å; Y115-F206 HydrophobicContact CE1-CE1 3.5Å; Y115-F206 HydrophobicContact CE2-CE1 4.45Å; Y115-F206 HydrophobicContact CG-CE1 4.48Å; Y115-F206 AromaticContact CZ-CE1 3.8Å; Y115-P316 HydrophobicContact CD2-CB 3.92Å; Y115-P316 HydrophobicContact CD2-CG 3.46Å; Y115-P316 VanDerWaalsContact CD2-CG 3.46Å; Y115-P316 HydrophobicContact CE2-CB 3.78Å; Y115-P316 HydrophobicContact CE2-CG 3.59Å; Y115-P316 HydrophobicContact CG-CG 4.02Å
116	E	85.6	Confident	89.5	Confident	133 Å²	133	56.1 Å²	56.1	62%	0.621	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	123	172.6	-167.3	177.8	175.4	0	0	109.1	G120	E116-G120 WeakPolarHBondContact OE1-CA 3.41Å
117	S	79.8	Confident	89.9	Confident	21 Å²	21	50.2 Å²	50.2	15%	0.147	27%	0.268	C	S	.	.			trans	-72.8	166.2	174.6	64.4	0	0	0	0	111.5	N119 G120 V121	S117-N119 PolarHBondContact O-N 2.98Å; S117-G120 PolarHBondContact O-N 3.32Å; S117-V121 WeakPolarHBondContact CB-O 3.36Å; S117-V121 PolarHBondContact N-O 3.31Å; S117-V121 PolarHBondContact OG-N 2.08Å; S117-V121 PolarHBondContact OG-O 2.82Å
118	S	75	Confident	90.2	Very high	82 Å²	82	49.1 Å²	49.1	57%	0.573	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-16.3	178.2	61.1	0	0	0	0	115.4
119	N	80.4	Confident	90.3	Very high	136 Å²	136	47.5 Å²	47.5	73%	0.727	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	10.9	-178.5	-59.5	4.3	0	0	0	112.5	S117 V121	S117-N119 PolarHBondContact O-N 2.98Å; N119-V121 VanDerWaalsContact C-N 3.28Å; N119-V121 PolarHBondContact O-N 3.45Å
120	G	80.3	Confident	90.2	Very high	44 Å²	44	48.4 Å²	48.4	45%	0.454	26%	0.257	S	S	.	.	S	Bend	trans	75.6	11.8	-178.2	0	0	0	0	0	114.8	E116 S117	E116-G120 WeakPolarHBondContact OE1-CA 3.41Å; S117-G120 PolarHBondContact O-N 3.32Å
121	V	86.3	Confident	89.6	Confident	75 Å²	75	51.7 Å²	51.7	46%	0.455	27%	0.269	S	S	.	.			trans	-94.2	125.6	179.8	-178.8	0	0	0	0	109.2	S117 N119	S117-V121 WeakPolarHBondContact CB-O 3.36Å; S117-V121 PolarHBondContact N-O 3.31Å; S117-V121 PolarHBondContact OG-N 2.08Å; S117-V121 PolarHBondContact OG-O 2.82Å; N119-V121 VanDerWaalsContact C-N 3.28Å; N119-V121 PolarHBondContact O-N 3.45Å
122	E	89.2	Confident	88.9	Confident	154 Å²	154	53.7 Å²	53.7	72%	0.72	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	132.5	172.3	-67.4	-174.9	162.1	0	0	111
123	R	92	Very high	88.4	Confident	101 Å²	101	54.9 Å²	54.9	38%	0.381	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140.1	179.2	-66.5	-68.5	179.2	131.6	-10.4	109.2	Q114 Y115 D205	Q114-R123 WeakPolarHBondContact CA-O 3.38Å; Y115-R123 HydrophobicContact CD1-CB 3.89Å; Y115-R123 HydrophobicContact CE1-CB 3.39Å; Y115-R123 HydrophobicContact CE1-CG 4.32Å; Y115-R123 HydrophobicContact CE2-CB 4.14Å; Y115-R123 HydrophobicContact CE2-CG 4.35Å; Y115-R123 HydrophobicContact CG-CB 4.48Å; Y115-R123 PolarHBondContact N-O 3.15Å; Y115-R123 PolarHBondContact O-N 3.48Å; R123-D205 WeakPolarHBondContact CD-OD2 3.39Å; R123-D205 IonicContact CZ-OD2 3.59Å; R123-D205 IonicContact NE-OD2 3.82Å; R123-D205 IonicContact NH1-OD2 2.74Å; R123-D205 PolarHBondContact NH1-OD2 2.88Å
124	L	94.6	Very high	88.2	Confident	66 Å²	66	54.9 Å²	54.9	35%	0.346	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	146	176.5	-63.1	178.1	0	0	0	110.2	L19 L22 V112 Q114	L19-L124 VanDerWaalsContact O-CD1 3.29Å; L19-L124 WeakPolarHBondContact O-CD1 3.46Å; L22-L124 HydrophobicContact CD2-CD1 4.33Å; V112-L124 HydrophobicContact CG2-CB 4.47Å; V112-L124 HydrophobicContact CG2-CD2 4.07Å; Q114-L124 HydrophobicContact CB-CD2 3.92Å
125	L	95.8	Very high	88.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	162.8	168.6	69.1	107.3	0	0	0	109.4	V112 D113 Y115 A127 V202 V203 F206 L355	V112-L125 WeakPolarHBondContact CA-O 3.38Å; D113-L125 HydrophobicContact CB-CD1 3.76Å; D113-L125 HydrophobicContact CB-CD2 4.09Å; D113-L125 HydrophobicContact CB-CG 3.73Å; D113-L125 PolarHBondContact N-O 3.32Å; D113-L125 PolarHBondContact O-N 3.38Å; Y115-L125 HydrophobicContact CD1-CD2 3.78Å; Y115-L125 HydrophobicContact CE1-CD2 4.13Å; L125-A127 HydrophobicContact CD1-CB 4.04Å; L125-V202 HydrophobicContact CD1-CG1 4.41Å; L125-V203 CarbonylContact C-O 3.49Å; L125-V203 WeakPolarHBondContact CA-O 3.38Å; L125-V203 WeakPolarHBondContact CB-O 3.5Å; L125-F206 HydrophobicContact CD2-CE1 3.87Å; L125-F206 HydrophobicContact CD2-CE2 4.5Å; L125-F206 HydrophobicContact CD2-CZ 3.6Å; L125-L355 HydrophobicContact CD1-CD2 3.81Å
126	A	97.2	Very high	88.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.4	169.6	0	0	0	0	0	110.4	L19 L103 F110 Y111 V202 V203	L19-A126 HydrophobicContact CD2-CB 3.61Å; L103-A126 HydrophobicContact CD1-CB 3.9Å; L103-A126 HydrophobicContact CD2-CB 3.89Å; F110-A126 HydrophobicContact CD2-CB 4.45Å; F110-A126 HydrophobicContact CE2-CB 3.55Å; F110-A126 HydrophobicContact CZ-CB 3.79Å; Y111-A126 VanDerWaalsContact O-CA 3.26Å; Y111-A126 WeakPolarHBondContact O-CA 3.39Å; A126-V202 CarbonylContact O-C 3.57Å; A126-V202 WeakPolarHBondContact O-CA 3.3Å; A126-V203 PolarHBondContact N-O 3.33Å; A126-V203 PolarHBondContact O-N 3.34Å
127	A	96.6	Very high	89.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155.7	-178.3	0	0	0	0	0	110.9	F110 Y111 L125 V202 L355	F110-A127 WeakPolarHBondContact CD2-O 3.31Å; Y111-A127 HydrophobicContact CD1-CB 4.45Å; Y111-A127 WeakPolarHBondContact CD1-O 3.29Å; Y111-A127 HydrophobicContact CE1-CB 3.78Å; Y111-A127 PolarHBondContact N-O 3.43Å; Y111-A127 PolarHBondContact O-N 2.95Å; L125-A127 HydrophobicContact CD1-CB 4.04Å; A127-V202 HydrophobicContact CB-CG1 4.27Å; A127-V202 HydrophobicContact CB-CG2 4.01Å; A127-L355 HydrophobicContact CB-CD1 3.97Å; A127-L355 HydrophobicContact CB-CD2 3.95Å
128	T	95.6	Very high	89.9	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	131.6	169.7	53.5	0	0	0	0	111.6	G109 F110 F130 A200 W201	G109-T128 VanDerWaalsContact O-CA 3.26Å; G109-T128 WeakPolarHBondContact O-CA 3.41Å; F110-T128 HydrophobicContact CB-CG2 4.37Å; F110-T128 HydrophobicContact CD2-CG2 3.85Å; F110-T128 HydrophobicContact CG-CG2 4.39Å; T128-F130 HydrophobicContact CG2-CE1 4.05Å; T128-F130 HydrophobicContact CG2-CE2 4.44Å; T128-F130 HydrophobicContact CG2-CZ 3.66Å; T128-A200 WeakPolarHBondContact OG1-CA 3.41Å; T128-A200 WeakPolarHBondContact OG1-CB 3.36Å; T128-W201 HydrophobicContact CG2-CD2 3.49Å; T128-W201 VanDerWaalsContact CG2-CD2 3.49Å; T128-W201 HydrophobicContact CG2-CE3 3.98Å; T128-W201 HydrophobicContact CG2-CG 3.98Å; T128-W201 HydrophobicContact CG2-CH2 3.86Å; T128-W201 HydrophobicContact CG2-CZ2 3.33Å; T128-W201 HydrophobicContact CG2-CZ3 4.16Å; T128-W201 PolarHBondContact N-O 3.34Å; T128-W201 PolarHBondContact OG1-N 2.95Å; T128-W201 PolarHBondContact OG1-O 3.37Å
129	V	91.9	Very high	90.9	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	109.7	166.9	168.5	0	0	0	0	107.6	P107 E108 G109 Y111 L355 L358 I363	P107-V129 WeakPolarHBondContact O-CG1 3.39Å; E108-V129 CarbonylContact C-O 3.6Å; E108-V129 WeakPolarHBondContact CA-O 3.37Å; G109-V129 PolarHBondContact N-O 3.36Å; G109-V129 PolarHBondContact O-N 2.83Å; Y111-V129 HydrophobicContact CD1-CG2 4.46Å; Y111-V129 HydrophobicContact CE1-CB 4.2Å; Y111-V129 HydrophobicContact CE1-CG2 3.7Å; V129-L355 HydrophobicContact CG2-CD1 4.31Å; V129-L358 HydrophobicContact CG1-CD1 4.2Å; V129-L358 HydrophobicContact CG2-CD1 3.58Å; V129-I363 HydrophobicContact CG1-CD1 3.57Å
130	F	90.6	Very high	91.7	Very high	20 Å²	20	33.4 Å²	33.4	9%	0.088	17%	0.171	C	C	.	.			trans	-104.5	120.1	-179.9	-58.6	-29.6	0	0	0	110.5	G109 T128 A135 A138 F139 D197 V199 W201	G109-F130 WeakPolarHBondContact O-CE1 3.39Å; T128-F130 HydrophobicContact CG2-CE1 4.05Å; T128-F130 HydrophobicContact CG2-CE2 4.44Å; T128-F130 HydrophobicContact CG2-CZ 3.66Å; F130-A135 HydrophobicContact CD2-CB 3.97Å; F130-A135 HydrophobicContact CE2-CB 4.08Å; F130-A135 HydrophobicContact CG-CB 4.28Å; F130-A135 HydrophobicContact CZ-CB 4.5Å; F130-A138 HydrophobicContact CE1-CB 3.56Å; F130-A138 HydrophobicContact CZ-CB 3.59Å; F130-F139 HydrophobicContact CE2-CE1 4.28Å; F130-F139 HydrophobicContact CZ-CE1 4.33Å; F130-D197 HydrophobicContact CB-CB 4.39Å; F130-D197 WeakPolarHBondContact CB-O 3.47Å; F130-V199 WeakPolarHBondContact CD2-O 3.42Å; F130-V199 HydrophobicContact CE2-CB 4.38Å; F130-V199 WeakPolarHBondContact CE2-O 3.34Å; F130-W201 HydrophobicContact CE2-CZ3 4.47Å; F130-W201 AromaticContact CZ-CH2 3.94Å; F130-W201 HydrophobicContact CZ-CH2 3.94Å; F130-W201 HydrophobicContact CZ-CZ2 4.49Å; F130-W201 HydrophobicContact CZ-CZ3 4.3Å
131	R	82.5	Confident	92.5	Very high	76 Å²	76	31.3 Å²	31.3	29%	0.287	15%	0.149	S	C	.	.			trans	-75.7	166.9	158	-61.9	-166.4	-174	106.9	0.1	108.8	E108 N133 G134 D359	E108-R131 WeakPolarHBondContact OE1-CD 3.5Å; E108-R131 IonicContact OE1-CZ 3.58Å; E108-R131 IonicContact OE1-NE 3.01Å; E108-R131 IonicContact OE1-NH1 3.59Å; E108-R131 PolarHBondContact OE1-NH1 3.32Å; E108-R131 IonicContact OE2-NH1 2.77Å; E108-R131 PolarHBondContact OE2-NH1 2.91Å; R131-N133 PolarHBondContact O-N 3.47Å; R131-G134 WeakPolarHBondContact O-CA 3.44Å; R131-G134 PolarHBondContact O-N 3.46Å; R131-D359 IonicContact CZ-OD2 3.94Å; R131-D359 IonicContact NE-OD2 3.42Å; R131-D359 IonicContact NH2-OD2 3.38Å; R131-D359 PolarHBondContact NH2-OD2 3.01Å
132	P	82.4	Confident	93	Very high	43 Å²	43	28 Å²	28	28%	0.279	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	129.8	170	-26.7	35.6	0	0	0	110.4	G134 L412	P132-G134 VanDerWaalsContact C-N 3.26Å; P132-G134 PolarHBondContact O-N 3.33Å; P132-L412 HydrophobicContact CB-CD1 4.14Å; P132-L412 HydrophobicContact CB-CD2 3.88Å
133	N	86.1	Confident	93.3	Very high	46 Å²	46	20.8 Å²	20.8	25%	0.246	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	19	-174.7	-47.1	-33.5	0	0	0	115.2	R131 R136 D143	R131-N133 PolarHBondContact O-N 3.47Å; N133-R136 VanDerWaalsContact O-CD 3.24Å; N133-R136 WeakPolarHBondContact O-CD 3.39Å; N133-R136 WeakPolarHBondContact O-CG 3.48Å; N133-R136 PolarHBondContact O-NE 2.84Å; N133-D143 VanDerWaalsContact CA-OD2 3.22Å; N133-D143 WeakPolarHBondContact CA-OD2 3.18Å
134	G	89.5	Confident	93.2	Very high	3 Å²	3	16.6 Å²	16.6	3%	0.031	8%	0.08	C	C	.	.			trans	-91.6	-15.8	-178.7	0	0	0	0	0	115.2	R131 P132 R136 R137 D143	R131-G134 WeakPolarHBondContact O-CA 3.44Å; R131-G134 PolarHBondContact O-N 3.46Å; P132-G134 VanDerWaalsContact C-N 3.26Å; P132-G134 PolarHBondContact O-N 3.33Å; G134-R136 PolarHBondContact O-N 3.2Å; G134-R137 WeakPolarHBondContact O-CB 3.42Å; G134-R137 PolarHBondContact O-N 3.47Å; G134-R137 VanDerWaalsContact O-N 3.14Å; G134-D143 PolarHBondContact N-OD2 3.06Å
135	A	94.6	Very high	92.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-64.2	-30.2	-175.6	0	0	0	0	0	112.5	F130 R137 A138 F139 D143 A196	F130-A135 HydrophobicContact CD2-CB 3.97Å; F130-A135 HydrophobicContact CE2-CB 4.08Å; F130-A135 HydrophobicContact CG-CB 4.28Å; F130-A135 HydrophobicContact CZ-CB 4.5Å; A135-R137 PolarHBondContact O-N 2.97Å; A135-R137 VanDerWaalsContact O-N 3.07Å; A135-A138 PolarHBondContact O-N 3.45Å; A135-F139 HydrophobicContact CB-CE1 4.09Å; A135-F139 HydrophobicContact CB-CZ 4.34Å; A135-F139 PolarHBondContact O-N 3.06Å; A135-F139 VanDerWaalsContact O-N 3.16Å; A135-D143 PolarHBondContact N-OD2 3.18Å; A135-A196 HydrophobicContact CB-CB 3.69Å; A135-A196 WeakPolarHBondContact CB-O 3.38Å
136	R	95.3	Very high	92.5	Very high	14 Å²	14	17.5 Å²	17.5	5%	0.053	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-57.3	-18.1	174.5	68.2	-170.9	64.3	-167.5	-3.5	115.3	H44 Q46 N133 G134 D143	H44-R136 HydrophobicContact CB-CB 3.75Å; H44-R136 VanDerWaalsContact CD2-CZ 3.43Å; H44-R136 PolarHBondContact CD2-NH1 2.95Å; H44-R136 PolarHBondContact CD2-NH2 2.79Å; H44-R136 PolarHBondContact CE1-NH2 2.86Å; H44-R136 VanDerWaalsContact CG-CZ 3.43Å; H44-R136 VanDerWaalsContact CG-NH2 3.33Å; H44-R136 PolarHBondContact ND1-NH2 2.93Å; H44-R136 PolarHBondContact NE2-NH2 2.82Å; Q46-R136 HydrophobicContact CB-CG 4.03Å; Q46-R136 PolarHBondContact N-O 3.31Å; N133-R136 VanDerWaalsContact O-CD 3.24Å; N133-R136 WeakPolarHBondContact O-CD 3.39Å; N133-R136 WeakPolarHBondContact O-CG 3.48Å; N133-R136 PolarHBondContact O-NE 2.84Å; G134-R136 PolarHBondContact O-N 3.2Å; R136-D143 HydrophobicContact CB-CB 4.27Å; R136-D143 IonicContact CZ-OD2 3.06Å; R136-D143 PolarHBondContact N-OD2 3.34Å; R136-D143 VanDerWaalsContact N-OD2 3.1Å; R136-D143 IonicContact NE-OD2 3.99Å; R136-D143 PolarHBondContact NE-OD2 2.88Å; R136-D143 PolarHBondContact NH2-O 3.09Å; R136-D143 IonicContact NH2-OD2 3.48Å
137	R	95.3	Very high	92.3	Very high	49 Å²	49	18.7 Å²	18.7	19%	0.185	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-83.5	-11.8	175.3	-60.3	-173.9	74.8	-158.1	-7.5	113.1	Q46 D47 N104 E108 G134 A135	Q46-R137 HydrophobicContact CB-CG 4.05Å; Q46-R137 HydrophobicContact CG-CG 4.13Å; Q46-R137 WeakPolarHBondContact O-CA 3.42Å; D47-R137 IonicContact OD2-CZ 3.51Å; D47-R137 IonicContact OD2-NE 2.97Å; D47-R137 PolarHBondContact OD2-NE 3.18Å; D47-R137 IonicContact OD2-NH2 3.88Å; N104-R137 PolarHBondContact ND2-NH1 3.38Å; N104-R137 PolarHBondContact ND2-NH2 2.93Å; N104-R137 VanDerWaalsContact ND2-NH2 3.18Å; E108-R137 IonicContact OE2-CZ 3.05Å; E108-R137 IonicContact OE2-NH1 3.35Å; E108-R137 PolarHBondContact OE2-NH1 3.31Å; G134-R137 WeakPolarHBondContact O-CB 3.42Å; G134-R137 PolarHBondContact O-N 3.47Å; G134-R137 VanDerWaalsContact O-N 3.14Å; A135-R137 PolarHBondContact O-N 2.97Å; A135-R137 VanDerWaalsContact O-N 3.07Å
138	A	96.2	Very high	92.2	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.017	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-36.5	179.9	0	0	0	0	0	112.5	W99 F110 F130 A135 W201	W99-A138 VanDerWaalsContact CZ2-O 3.26Å; W99-A138 WeakPolarHBondContact CZ2-O 3.34Å; W99-A138 PolarHBondContact NE1-O 3.31Å; F110-A138 HydrophobicContact CB-CB 3.76Å; F130-A138 HydrophobicContact CE1-CB 3.56Å; F130-A138 HydrophobicContact CZ-CB 3.59Å; A135-A138 PolarHBondContact O-N 3.45Å; A138-W201 HydrophobicContact CB-CH2 3.98Å; A138-W201 HydrophobicContact CB-CZ2 3.98Å
139	F	96.8	Very high	92.2	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-155.3	150.5	176.7	63.2	-74.6	0	0	0	111.6	Y11 V13 L48 W99 F130 A135 C141 F151 A196 W201	Y11-F139 HydrophobicContact CD1-CE2 4.46Å; V13-F139 HydrophobicContact CG2-CD2 4.31Å; V13-F139 HydrophobicContact CG2-CE2 4.39Å; L48-F139 VanDerWaalsContact CD1-CA 3.5Å; W99-F139 HydrophobicContact CH2-CB 3.54Å; W99-F139 HydrophobicContact CZ2-CB 3.65Å; W99-F139 HydrophobicContact CZ3-CB 4.23Å; F130-F139 HydrophobicContact CE2-CE1 4.28Å; F130-F139 HydrophobicContact CZ-CE1 4.33Å; A135-F139 HydrophobicContact CB-CE1 4.09Å; A135-F139 HydrophobicContact CB-CZ 4.34Å; A135-F139 PolarHBondContact O-N 3.06Å; A135-F139 VanDerWaalsContact O-N 3.16Å; F139-C141 HydrophobicContact CD2-CB 3.73Å; F139-C141 HydrophobicContact CE2-CB 3.41Å; F139-C141 VanDerWaalsContact CE2-CB 3.41Å; F139-C141 HydrophobicContact CZ-CB 4.19Å; F139-C141 PolarHBondContact O-N 2.97Å; F139-C141 PolarHBondContact O-SG 3.41Å; F139-C141 VanDerWaalsContact O-SG 3.36Å; F139-F151 AromaticContact CE2-CE1 3.85Å; F139-F151 HydrophobicContact CE2-CE1 3.85Å; F139-F151 AromaticContact CZ-CE1 3.88Å; F139-F151 HydrophobicContact CZ-CE1 3.88Å; F139-A196 HydrophobicContact CZ-CB 4.43Å; F139-W201 AromaticContact CD1-CH2 3.67Å; F139-W201 HydrophobicContact CD1-CH2 3.67Å; F139-W201 HydrophobicContact CD1-CZ3 4.27Å; F139-W201 AromaticContact CE1-CH2 3.91Å; F139-W201 HydrophobicContact CE1-CH2 3.91Å; F139-W201 HydrophobicContact CE1-CZ3 4.1Å
140	P	96.9	Very high	92.5	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.			trans	-66	124.6	176	-17.1	30.6	0	0	0	111.3	V28 L43 H44 I45 L48 L97 W99	V28-P140 HydrophobicContact CG1-CB 4.49Å; V28-P140 HydrophobicContact CG1-CG 4.39Å; L43-P140 HydrophobicContact CD1-CB 3.42Å; L43-P140 VanDerWaalsContact CD1-CB 3.42Å; H44-P140 WeakPolarHBondContact O-CA 3.45Å; I45-P140 HydrophobicContact CD1-CB 4.37Å; I45-P140 HydrophobicContact CD1-CG 4Å; I45-P140 HydrophobicContact CG1-CB 4.49Å; I45-P140 HydrophobicContact CG1-CG 4.35Å; L48-P140 HydrophobicContact CD1-CG 4.08Å; L97-P140 HydrophobicContact CD1-CB 3.78Å; L97-P140 HydrophobicContact CD1-CG 4.21Å; W99-P140 HydrophobicContact CE3-CG 4.33Å
141	C	97.1	Very high	92.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-159	168.8	-174.2	58	0	0	0	0	114.9	Y11 H44 F139 D143	Y11-C141 HydrophobicContact CE1-CB 3.94Å; H44-C141 WeakPolarHBondContact CA-O 2.99Å; H44-C141 WeakPolarHBondContact CB-O 3.43Å; H44-C141 PolarHBondContact N-O 3.46Å; H44-C141 PolarHBondContact O-N 2.92Å; H44-C141 VanDerWaalsContact O-N 3.08Å; F139-C141 HydrophobicContact CD2-CB 3.73Å; F139-C141 HydrophobicContact CE2-CB 3.41Å; F139-C141 VanDerWaalsContact CE2-CB 3.41Å; F139-C141 HydrophobicContact CZ-CB 4.19Å; F139-C141 PolarHBondContact O-N 2.97Å; F139-C141 PolarHBondContact O-SG 3.41Å; F139-C141 VanDerWaalsContact O-SG 3.36Å; C141-D143 VanDerWaalsContact C-N 3.25Å; C141-D143 PolarHBondContact O-N 3.24Å
142	F	96.6	Very high	93.6	Very high	7 Å²	7	20.6 Å²	20.6	3%	0.031	10%	0.1	C	C	.	.			trans	-81.4	74.2	170	-66	-104.4	0	0	0	109.9	L2 V6 P8 Y11 L32 I41 L43 E144 V147	L2-F142 HydrophobicContact CD1-CB 4.1Å; L2-F142 HydrophobicContact CD1-CD1 3.64Å; L2-F142 HydrophobicContact CD1-CE1 4.46Å; L2-F142 HydrophobicContact CD1-CG 4.17Å; V6-F142 HydrophobicContact CG1-CZ 4.29Å; P8-F142 HydrophobicContact CB-CD2 4.12Å; P8-F142 HydrophobicContact CB-CE2 4.48Å; P8-F142 HydrophobicContact CG-CB 4.12Å; P8-F142 HydrophobicContact CG-CD2 4Å; P8-F142 HydrophobicContact CG-CG 4.09Å; Y11-F142 WeakPolarHBondContact OH-CB 3.47Å; Y11-F142 WeakPolarHBondContact OH-CD2 3.44Å; Y11-F142 PolarHBondContact OH-N 2.91Å; Y11-F142 VanDerWaalsContact OH-N 3.1Å; L32-F142 HydrophobicContact CD2-CE2 3.6Å; L32-F142 HydrophobicContact CD2-CZ 3.86Å; I41-F142 HydrophobicContact CG2-CZ 4.12Å; L43-F142 HydrophobicContact CB-CD2 4.43Å; L43-F142 HydrophobicContact CB-CE2 4.35Å; F142-E144 VanDerWaalsContact C-N 3.33Å; F142-E144 PolarHBondContact O-N 3.02Å; F142-V147 HydrophobicContact CB-CB 4.47Å; F142-V147 HydrophobicContact CB-CG1 3.82Å
143	D	94.9	Very high	94.3	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	9%	0.087	C	C	.	.			trans	-80.9	70.4	-172.5	-166.2	12.9	0	0	0	113.1	H44 N133 G134 A135 R136 C141	H44-D143 HydrophobicContact CB-CB 3.96Å; H44-D143 PolarHBondContact ND1-N 2.9Å; H44-D143 PolarHBondContact ND1-O 3.41Å; N133-D143 VanDerWaalsContact CA-OD2 3.22Å; N133-D143 WeakPolarHBondContact CA-OD2 3.18Å; G134-D143 PolarHBondContact N-OD2 3.06Å; A135-D143 PolarHBondContact N-OD2 3.18Å; R136-D143 HydrophobicContact CB-CB 4.27Å; R136-D143 IonicContact CZ-OD2 3.06Å; R136-D143 PolarHBondContact N-OD2 3.34Å; R136-D143 VanDerWaalsContact N-OD2 3.1Å; R136-D143 IonicContact NE-OD2 3.99Å; R136-D143 PolarHBondContact NE-OD2 2.88Å; R136-D143 PolarHBondContact NH2-O 3.09Å; R136-D143 IonicContact NH2-OD2 3.48Å; C141-D143 VanDerWaalsContact C-N 3.25Å; C141-D143 PolarHBondContact O-N 3.24Å
144	E	90.9	Very high	94.9	Very high	14 Å²	14	17 Å²	17	7%	0.065	8%	0.079	C	C	.	.			trans	-133.4	143	175	-58.8	-164.8	152.2	0	0	110.6	M1 L2 H44 F142 H146 V147	M1-E144 WeakPolarHBondContact CA-OE1 3.45Å; M1-E144 PolarHBondContact N-OE1 3.44Å; L2-E144 HydrophobicContact CD1-CG 4.38Å; L2-E144 HydrophobicContact CG-CG 4.45Å; L2-E144 PolarHBondContact N-OE1 3.32Å; H44-E144 IonicContact CE1-OE1 3.85Å; F142-E144 VanDerWaalsContact C-N 3.33Å; F142-E144 PolarHBondContact O-N 3.02Å; E144-H146 PolarHBondContact O-N 3.49Å; E144-H146 VanDerWaalsContact O-N 3.1Å; E144-H146 IonicContact OE2-CE1 2.8Å; E144-H146 PolarHBondContact OE2-CE1 2.93Å; E144-H146 IonicContact OE2-NE2 3.75Å; E144-V147 HydrophobicContact CB-CG2 4.12Å; E144-V147 PolarHBondContact O-N 2.86Å
145	P	86.1	Confident	95.3	Very high	13 Å²	13	16.9 Å²	16.9	8%	0.084	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.6	-169.5	24.8	-37.8	0	0	0	114.5	R409 L412 T512	P145-R409 HydrophobicContact CB-CG 4.42Å; P145-L412 HydrophobicContact CB-CD2 4.08Å; P145-L412 HydrophobicContact CG-CD2 4.03Å; P145-L412 HydrophobicContact CG-CG 4.04Å; P145-T512 WeakPolarHBondContact O-CG2 3.49Å
146	H	89.3	Confident	95.3	Very high	72 Å²	72	18.8 Å²	18.8	33%	0.333	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-12.9	178.9	66.4	-85.5	0	0	0	113.9	E144 K410	E144-H146 PolarHBondContact O-N 3.49Å; E144-H146 VanDerWaalsContact O-N 3.1Å; E144-H146 IonicContact OE2-CE1 2.8Å; E144-H146 PolarHBondContact OE2-CE1 2.93Å; E144-H146 IonicContact OE2-NE2 3.75Å; H146-K410 HydrophobicContact CB-CG 3.93Å; H146-K410 WeakPolarHBondContact CB-O 3.47Å
147	V	93.3	Very high	95.3	Very high	24 Å²	24	19.3 Å²	19.3	15%	0.145	9%	0.088	C	C	.	.			trans	-91.6	114.1	-177.7	-178.4	0	0	0	0	108.8	P8 F142 E144 P195	P8-V147 HydrophobicContact CG-CG1 3.34Å; F142-V147 HydrophobicContact CB-CB 4.47Å; F142-V147 HydrophobicContact CB-CG1 3.82Å; E144-V147 HydrophobicContact CB-CG2 4.12Å; E144-V147 PolarHBondContact O-N 2.86Å; V147-P195 WeakPolarHBondContact O-CA 3.25Å
148	R	93.9	Very high	95.2	Very high	32 Å²	32	18 Å²	18	12%	0.121	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138.7	177.8	-59.2	-178.5	69.3	130.4	-0.5	110.5	P193 L194 P195 G405 S408 T512	R148-P193 HydrophobicContact CB-CB 4.19Å; R148-P193 PolarHBondContact NE-O 3.32Å; R148-P193 VanDerWaalsContact NE-O 3.1Å; R148-P193 PolarHBondContact NH2-O 3Å; R148-L194 VanDerWaalsContact CA-O 3.26Å; R148-L194 WeakPolarHBondContact CA-O 3.33Å; R148-P195 HydrophobicContact CG-CB 4.34Å; R148-G405 PolarHBondContact NH2-O 3.47Å; R148-S408 VanDerWaalsContact NH1-CB 3.31Å; R148-S408 PolarHBondContact NH1-OG 2.83Å; R148-T512 HydrophobicContact CG-CG2 4.28Å
149	A	96.4	Very high	94.9	Very high	2 Å²	2	24 Å²	24	2%	0.017	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	155.2	174.5	0	0	0	0	0	110.8	P8 Y11 F151 P193 L194	P8-A149 HydrophobicContact CB-CB 4.36Å; P8-A149 HydrophobicContact CG-CB 4.45Å; Y11-A149 HydrophobicContact CD2-CB 3.63Å; Y11-A149 HydrophobicContact CE2-CB 3.61Å; A149-F151 WeakPolarHBondContact O-CD2 3.38Å; A149-F151 WeakPolarHBondContact O-CE2 3.27Å; A149-P193 WeakPolarHBondContact O-CA 3.5Å; A149-L194 PolarHBondContact N-O 3.15Å; A149-L194 PolarHBondContact O-N 3.27Å
150	P	97.5	Very high	94.6	Very high	23 Å²	23	29.7 Å²	29.7	15%	0.149	13%	0.132	C	C	.	.			trans	-63.6	145.4	168.3	-21.4	35.1	0	0	0	111.7	L9 Y11 E190 T191 P193	L9-P150 WeakPolarHBondContact O-CD 2.91Å; Y11-P150 PolarHBondContact N-O 3.19Å; P150-E190 HydrophobicContact CB-CG 3.69Å; P150-T191 WeakPolarHBondContact CB-O 3.09Å; P150-P193 HydrophobicContact CG-CG 4.16Å
151	F	97.8	Very high	94.5	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.009	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.6	176.5	-70.7	-98.1	0	0	0	110.6	Y11 V13 F139 A149 I153 E190 T191 L194 V199	Y11-F151 VanDerWaalsContact CB-CD1 3.42Å; Y11-F151 AromaticContact CD1-CE1 3.94Å; Y11-F151 HydrophobicContact CD1-CE1 3.94Å; Y11-F151 HydrophobicContact CD2-CD1 4.15Å; Y11-F151 AromaticContact CD2-CE1 3.55Å; Y11-F151 HydrophobicContact CD2-CE1 3.55Å; Y11-F151 HydrophobicContact CD2-CE2 4.1Å; Y11-F151 AromaticContact CD2-CZ 3.52Å; Y11-F151 HydrophobicContact CD2-CZ 3.52Å; Y11-F151 HydrophobicContact CE2-CE1 4.17Å; Y11-F151 AromaticContact CE2-CZ 3.82Å; Y11-F151 HydrophobicContact CE2-CZ 3.82Å; Y11-F151 AromaticContact CG-CD1 3.86Å; Y11-F151 HydrophobicContact CG-CD1 3.86Å; Y11-F151 AromaticContact CG-CE1 3.41Å; Y11-F151 HydrophobicContact CG-CE1 3.41Å; Y11-F151 VanDerWaalsContact CG-CE1 3.41Å; Y11-F151 AromaticContact CG-CZ 3.91Å; Y11-F151 HydrophobicContact CG-CZ 3.91Å; Y11-F151 WeakPolarHBondContact O-CA 3.4Å; V13-F151 HydrophobicContact CG2-CD1 4.18Å; F139-F151 AromaticContact CE2-CE1 3.85Å; F139-F151 HydrophobicContact CE2-CE1 3.85Å; F139-F151 AromaticContact CZ-CE1 3.88Å; F139-F151 HydrophobicContact CZ-CE1 3.88Å; A149-F151 WeakPolarHBondContact O-CD2 3.38Å; A149-F151 WeakPolarHBondContact O-CE2 3.27Å; F151-I153 HydrophobicContact CB-CD1 4.4Å; F151-I153 HydrophobicContact CB-CG1 4.35Å; F151-E190 WeakPolarHBondContact O-CA 3.41Å; F151-T191 HydrophobicContact CB-CG2 4.45Å; F151-T191 PolarHBondContact N-OG1 2.84Å; F151-T191 PolarHBondContact O-N 3.42Å; F151-T191 PolarHBondContact O-OG1 3.37Å; F151-L194 HydrophobicContact CD2-CB 4.27Å; F151-L194 HydrophobicContact CE2-CB 4.31Å; F151-V199 HydrophobicContact CD1-CG2 3.79Å; F151-V199 HydrophobicContact CD2-CG2 3.56Å; F151-V199 HydrophobicContact CE1-CG2 3.77Å; F151-V199 HydrophobicContact CE2-CG2 3.52Å; F151-V199 HydrophobicContact CG-CG2 3.71Å; F151-V199 HydrophobicContact CZ-CG2 3.63Å
152	R	97.8	Very high	94.4	Very high	86 Å²	86	33 Å²	33	33%	0.325	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	115.8	163.3	-176.2	178.1	179.3	178.7	-0.3	108.1	Y11 M12 V13	Y11-R152 PolarHBondContact O-N 2.93Å; M12-R152 CarbonylContact C-O 3.49Å; M12-R152 WeakPolarHBondContact CA-O 3.45Å; M12-R152 HydrophobicContact CG-CB 4.33Å; V13-R152 PolarHBondContact N-O 3.1Å
153	I	97.9	Very high	94.4	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.8	-175.2	-64.7	164.5	0	0	0	108.7	V13 F151 V155 S165 F188 V199 W201	V13-I153 CarbonylContact O-C 3.52Å; V13-I153 WeakPolarHBondContact O-CA 3.35Å; F151-I153 HydrophobicContact CB-CD1 4.4Å; F151-I153 HydrophobicContact CB-CG1 4.35Å; I153-V155 HydrophobicContact CG2-CG2 3.88Å; I153-S165 WeakPolarHBondContact CD1-OG 3.3Å; I153-F188 HydrophobicContact CB-CD2 4.29Å; I153-F188 HydrophobicContact CG2-CD2 4.15Å; I153-F188 WeakPolarHBondContact O-CD2 3.3Å; I153-F188 PolarHBondContact O-N 2.72Å; I153-V199 HydrophobicContact CD1-CG1 3.54Å; I153-W201 HydrophobicContact CD1-CE3 4.35Å
154	S	98.1	Very high	94.5	Very high	12 Å²	12	33.2 Å²	33.2	8%	0.084	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.2	172.9	-61.9	0	0	0	0	108.8	V13 T14 I15 D186 D187	V13-S154 PolarHBondContact O-N 3.33Å; T14-S154 CarbonylContact C-O 3.56Å; T14-S154 WeakPolarHBondContact CA-O 3.49Å; I15-S154 PolarHBondContact N-O 3.36Å; S154-D186 CarbonylContact C-O 3.49Å; S154-D186 VanDerWaalsContact CA-O 3.25Å; S154-D186 WeakPolarHBondContact CA-O 2.84Å; S154-D187 VanDerWaalsContact CB-OD1 3.23Å; S154-D187 WeakPolarHBondContact CB-OD1 3.4Å; S154-D187 PolarHBondContact OG-OD1 3.25Å
155	V	97.7	Very high	94.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123	-178.2	-179.4	0	0	0	0	109.7	I15 I153 R185 D186 F188 V203	I15-V155 WeakPolarHBondContact O-CA 3.24Å; I153-V155 HydrophobicContact CG2-CG2 3.88Å; V155-R185 WeakPolarHBondContact O-CA 3.41Å; V155-D186 PolarHBondContact N-O 3.06Å; V155-D186 PolarHBondContact O-N 3.47Å; V155-F188 HydrophobicContact CB-CE2 4.24Å; V155-F188 HydrophobicContact CG2-CE2 3.91Å; V155-V203 HydrophobicContact CG1-CG2 3.5Å; V155-V203 VanDerWaalsContact CG1-CG2 3.5Å
156	F	96.3	Very high	95.2	Very high	40 Å²	40	32 Å²	32	18%	0.175	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	134.8	167.8	-71.7	-93.2	0	0	0	109.6	T14 I15 H16 P17 V175 L183 L184 R185	T14-F156 HydrophobicContact CG2-CD2 3.94Å; T14-F156 HydrophobicContact CG2-CE2 3.44Å; T14-F156 VanDerWaalsContact CG2-CE2 3.44Å; I15-F156 PolarHBondContact O-N 2.91Å; H16-F156 HydrophobicContact CB-CB 3.85Å; H16-F156 HydrophobicContact CB-CD2 4.17Å; H16-F156 HydrophobicContact CB-CG 4.28Å; P17-F156 WeakPolarHBondContact CD-O 3.42Å; F156-V175 HydrophobicContact CD1-CG2 3.97Å; F156-V175 HydrophobicContact CE1-CB 4.36Å; F156-V175 HydrophobicContact CE1-CG1 4.05Å; F156-V175 HydrophobicContact CE1-CG2 3.91Å; F156-L183 HydrophobicContact CB-CD1 4.36Å; F156-L183 HydrophobicContact CB-CD2 4.46Å; F156-L183 HydrophobicContact CD1-CD2 3.75Å; F156-L183 HydrophobicContact CD1-CG 4.16Å; F156-L183 HydrophobicContact CE1-CD2 4.47Å; F156-L184 CarbonylContact C-O 3.56Å; F156-L184 VanDerWaalsContact CA-O 3.32Å; F156-L184 WeakPolarHBondContact CA-O 3.47Å; F156-R185 HydrophobicContact CD1-CB 3.97Å; F156-R185 HydrophobicContact CD1-CG 4.23Å; F156-R185 HydrophobicContact CD2-CG 4.3Å; F156-R185 HydrophobicContact CE1-CB 3.85Å; F156-R185 HydrophobicContact CE1-CG 4Å; F156-R185 HydrophobicContact CE2-CG 4.05Å; F156-R185 HydrophobicContact CG-CG 4.4Å; F156-R185 HydrophobicContact CZ-CB 4.26Å; F156-R185 VanDerWaalsContact CZ-CD 3.46Å; F156-R185 HydrophobicContact CZ-CG 3.91Å
157	R	94.8	Very high	95.4	Very high	25 Å²	25	29 Å²	29	9%	0.094	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	159.2	180	59.1	166.6	175.7	77.6	11	111.4	H161 L183 L184 D186 V203	R157-H161 HydrophobicContact CB-CB 4.28Å; R157-H161 WeakPolarHBondContact CD-O 3.29Å; R157-H161 VanDerWaalsContact CZ-O 3.29Å; R157-H161 PolarHBondContact NE-O 3.17Å; R157-H161 PolarHBondContact NH1-O 3.38Å; R157-L183 WeakPolarHBondContact O-CD1 3.2Å; R157-L184 PolarHBondContact N-O 2.73Å; R157-L184 PolarHBondContact O-N 3.32Å; R157-D186 IonicContact CZ-OD1 3.92Å; R157-D186 IonicContact CZ-OD2 2.82Å; R157-D186 VanDerWaalsContact CZ-OD2 3.26Å; R157-D186 IonicContact NE-OD1 3.76Å; R157-D186 IonicContact NE-OD2 3.7Å; R157-D186 PolarHBondContact NE-OD2 3.19Å; R157-D186 VanDerWaalsContact NH2-CG 3.29Å; R157-D186 IonicContact NH2-OD1 3.81Å; R157-D186 PolarHBondContact NH2-OD1 3.23Å; R157-D186 IonicContact NH2-OD2 2.68Å; R157-D186 PolarHBondContact NH2-OD2 2.88Å; R157-V203 HydrophobicContact CB-CG1 4.01Å
158	D	92.6	Very high	95.5	Very high	21 Å²	21	31 Å²	31	11%	0.112	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	155.2	169.8	-62.6	-46.3	0	0	0	111.8	F160 H161 T181	D158-F160 HydrophobicContact CB-CD1 3.84Å; D158-F160 HydrophobicContact CB-CE1 3.42Å; D158-F160 VanDerWaalsContact CB-CE1 3.42Å; D158-F160 HydrophobicContact CB-CE2 4.26Å; D158-F160 HydrophobicContact CB-CG 4.4Å; D158-F160 HydrophobicContact CB-CZ 3.64Å; D158-F160 PolarHBondContact O-N 3.16Å; D158-F160 VanDerWaalsContact O-N 3.1Å; D158-F160 WeakPolarHBondContact OD2-CZ 3.4Å; D158-H161 PolarHBondContact O-N 3.45Å; D158-H161 VanDerWaalsContact O-N 3.07Å; D158-H161 IonicContact OD2-CE1 2.72Å; D158-H161 IonicContact OD2-ND1 2.94Å; D158-T181 WeakPolarHBondContact OD1-CB 3.44Å; D158-T181 PolarHBondContact OD1-OG1 2.74Å
159	R	90.6	Very high	95.5	Very high	127 Å²	127	32.1 Å²	32.1	48%	0.479	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-27.8	179.1	-80.1	175.6	-166.7	-121.7	5.8	115.3	D174 G182 L184	R159-D174 IonicContact CZ-OD1 3.87Å; R159-D174 IonicContact CZ-OD2 3.42Å; R159-D174 IonicContact NH1-OD2 3.62Å; R159-D174 IonicContact NH2-OD1 2.9Å; R159-D174 PolarHBondContact NH2-OD1 2.95Å; R159-D174 IonicContact NH2-OD2 2.6Å; R159-D174 PolarHBondContact NH2-OD2 3.21Å; R159-G182 WeakPolarHBondContact CG-O 3.15Å; R159-G182 PolarHBondContact N-O 3.4Å; R159-G182 VanDerWaalsContact N-O 3.08Å; R159-L184 HydrophobicContact CB-CD1 4.48Å; R159-L184 HydrophobicContact CG-CD1 3.92Å; R159-L184 HydrophobicContact CG-CD2 4.18Å; R159-L184 HydrophobicContact CG-CG 3.8Å
160	F	89.2	Confident	95.3	Very high	121 Å²	121	38 Å²	38	53%	0.531	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-8.7	-178.1	54.5	-92.8	0	0	0	113.8	D158 T181	D158-F160 HydrophobicContact CB-CD1 3.84Å; D158-F160 HydrophobicContact CB-CE1 3.42Å; D158-F160 VanDerWaalsContact CB-CE1 3.42Å; D158-F160 HydrophobicContact CB-CE2 4.26Å; D158-F160 HydrophobicContact CB-CG 4.4Å; D158-F160 HydrophobicContact CB-CZ 3.64Å; D158-F160 PolarHBondContact O-N 3.16Å; D158-F160 VanDerWaalsContact O-N 3.1Å; D158-F160 WeakPolarHBondContact OD2-CZ 3.4Å; F160-T181 HydrophobicContact CE1-CG2 4.39Å
161	H	94.8	Very high	95.2	Very high	17 Å²	17	39.4 Å²	39.4	8%	0.079	19%	0.186	C	C	.	.	S	Bend	trans	-92.8	166.6	170.5	-65.7	122.6	0	0	0	110.9	R157 D158 V203 S204	R157-H161 HydrophobicContact CB-CB 4.28Å; R157-H161 WeakPolarHBondContact CD-O 3.29Å; R157-H161 VanDerWaalsContact CZ-O 3.29Å; R157-H161 PolarHBondContact NE-O 3.17Å; R157-H161 PolarHBondContact NH1-O 3.38Å; D158-H161 PolarHBondContact O-N 3.45Å; D158-H161 VanDerWaalsContact O-N 3.07Å; D158-H161 IonicContact OD2-CE1 2.72Å; D158-H161 IonicContact OD2-ND1 2.94Å; H161-V203 HydrophobicContact CB-CG1 3.91Å; H161-S204 CarbonylContact C-O 3.56Å; H161-S204 VanDerWaalsContact CA-O 3.22Å; H161-S204 WeakPolarHBondContact CA-O 3.32Å; H161-S204 WeakPolarHBondContact CB-O 3.22Å
162	I	95.7	Very high	95.1	Very high	51 Å²	51	42.7 Å²	42.7	26%	0.262	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	149.9	168.4	58.9	166.5	0	0	0	109.7	L164 V203 S204 Y314	I162-L164 HydrophobicContact CD1-CD1 4.42Å; I162-L164 HydrophobicContact CD1-CD2 4.26Å; I162-L164 HydrophobicContact CD1-CG 4.35Å; I162-V203 WeakPolarHBondContact O-CA 3.36Å; I162-S204 VanDerWaalsContact CG1-O 3.3Å; I162-S204 WeakPolarHBondContact CG1-O 3.31Å; I162-S204 PolarHBondContact N-O 3.19Å; I162-S204 PolarHBondContact O-N 3.1Å; I162-Y314 HydrophobicContact CD1-CD1 3.57Å; I162-Y314 HydrophobicContact CD1-CE1 3.66Å
163	G	96	Very high	94.9	Very high	6 Å²	6	42.7 Å²	42.7	6%	0.062	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.6	171.5	0	0	0	0	0	110.2	D186 F188 V202	G163-D186 PolarHBondContact N-OD2 3.45Å; G163-F188 WeakPolarHBondContact O-CZ 3.47Å; G163-V202 WeakPolarHBondContact CA-O 3.22Å
164	L	97.2	Very high	94.5	Very high	8 Å²	8	47 Å²	47	4%	0.042	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	149.1	172.1	-54.8	175.9	0	0	0	109.6	I162 W201 V202 Y314 V353	I162-L164 HydrophobicContact CD1-CD1 4.42Å; I162-L164 HydrophobicContact CD1-CD2 4.26Å; I162-L164 HydrophobicContact CD1-CG 4.35Å; L164-W201 CarbonylContact O-C 3.59Å; L164-W201 WeakPolarHBondContact O-CA 3.32Å; L164-W201 VanDerWaalsContact O-CB 3.29Å; L164-W201 WeakPolarHBondContact O-CB 3.48Å; L164-V202 HydrophobicContact CB-CB 4.25Å; L164-V202 PolarHBondContact N-O 3.48Å; L164-V202 PolarHBondContact O-N 3.48Å; L164-Y314 HydrophobicContact CD1-CD1 3.88Å; L164-Y314 HydrophobicContact CD1-CD2 3.82Å; L164-Y314 HydrophobicContact CD1-CE1 4.21Å; L164-Y314 HydrophobicContact CD1-CE2 4.17Å; L164-Y314 HydrophobicContact CD1-CG 3.66Å; L164-Y314 HydrophobicContact CD2-CD1 4.2Å; L164-Y314 HydrophobicContact CD2-CD2 4.4Å; L164-Y314 HydrophobicContact CD2-CE1 3.66Å; L164-Y314 HydrophobicContact CD2-CE2 3.91Å; L164-V353 HydrophobicContact CD1-CG2 3.68Å
165	S	97	Very high	94.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	-173.4	172.3	-169.1	0	0	0	0	110.7	I153 S167 A200 K349	I153-S165 WeakPolarHBondContact CD1-OG 3.3Å; S165-S167 VanDerWaalsContact C-N 3.28Å; S165-S167 PolarHBondContact O-N 3.28Å; S165-A200 VanDerWaalsContact CA-O 3.23Å; S165-A200 WeakPolarHBondContact CA-O 3.31Å; S165-A200 WeakPolarHBondContact CB-O 3.39Å; S165-A200 PolarHBondContact OG-O 3.33Å; S165-K349 PolarHBondContact O-NZ 2.83Å
166	N	95.9	Very high	93.4	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.26	C	S	.	.	S	Bend	trans	-57.9	-37.9	179.3	-63.3	93.5	0	0	0	113	T191 L194 A198 V199 A200 K349 L366	N166-T191 HydrophobicContact CB-CG2 3.88Å; N166-L194 HydrophobicContact CB-CD1 4.42Å; N166-A198 PolarHBondContact ND2-O 3.25Å; N166-V199 WeakPolarHBondContact OD1-CA 3.31Å; N166-A200 PolarHBondContact N-O 2.93Å; N166-A200 PolarHBondContact OD1-N 3.06Å; N166-A200 PolarHBondContact OD1-O 2.91Å; N166-K349 WeakPolarHBondContact O-CE 3.23Å; N166-K349 PolarHBondContact O-NZ 3Å; N166-L366 WeakPolarHBondContact CB-O 3.37Å; N166-L366 PolarHBondContact ND2-O 2.95Å
167	S	93.8	Very high	92.5	Very high	8 Å²	8	57 Å²	57	6%	0.056	29%	0.288	C	S	.	.	S	Bend	trans	-108.1	175.8	-177.4	56.2	0	0	0	0	112	S165 F188 I189 K349	S165-S167 VanDerWaalsContact C-N 3.28Å; S165-S167 PolarHBondContact O-N 3.28Å; S167-F188 WeakPolarHBondContact O-CD1 3.38Å; S167-I189 VanDerWaalsContact CB-O 3.25Å; S167-I189 WeakPolarHBondContact CB-O 3.33Å; S167-I189 PolarHBondContact OG-O 3.23Å; S167-K349 WeakPolarHBondContact O-CE 3.35Å
168	I	93.6	Very high	91.2	Very high	68 Å²	68	59.2 Å²	59.2	35%	0.349	30%	0.297	S	S	.	.			trans	-76.7	152.8	175.9	59	172.6	0	0	0	111.5	H170 F188 I189 K349	I168-H170 PolarHBondContact O-N 2.89Å; I168-F188 WeakPolarHBondContact O-CA 3.29Å; I168-I189 HydrophobicContact CD1-CD1 3.61Å; I168-I189 HydrophobicContact CG1-CB 4.46Å; I168-I189 HydrophobicContact CG1-CD1 3.45Å; I168-I189 VanDerWaalsContact CG1-CD1 3.45Å; I168-I189 HydrophobicContact CG1-CG1 3.96Å; I168-I189 PolarHBondContact O-N 2.87Å; I168-K349 HydrophobicContact CG2-CB 4.19Å; I168-K349 HydrophobicContact CG2-CG 3.49Å; I168-K349 VanDerWaalsContact CG2-CG 3.49Å
169	V	94.4	Very high	89.8	Confident	55 Å²	55	65.1 Å²	65.1	33%	0.333	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	128.8	168.4	-179.2	0	0	0	0	108.8	D186 F188	V169-D186 HydrophobicContact CG1-CB 4.33Å; V169-D186 HydrophobicContact CG2-CB 4.43Å; V169-F188 HydrophobicContact CG2-CD1 3.91Å; V169-F188 HydrophobicContact CG2-CE1 3.47Å; V169-F188 VanDerWaalsContact CG2-CE1 3.47Å; V169-F188 HydrophobicContact CG2-CZ 3.95Å
170	H	92.8	Very high	88.6	Confident	125 Å²	125	62.4 Å²	62.4	58%	0.579	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	-51.7	172.8	178.6	-103.5	0	0	0	110.6	I168 D187 I189	I168-H170 PolarHBondContact O-N 2.89Å; H170-D187 WeakPolarHBondContact CA-O 3.33Å; H170-D187 WeakPolarHBondContact CB-O 3.12Å; H170-D187 PolarHBondContact N-O 3.35Å; H170-I189 HydrophobicContact CB-CG1 3.8Å
171	T	95.3	Very high	87.7	Confident	52 Å²	52	58.9 Å²	58.9	32%	0.319	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	142.7	-177.3	41.5	0	0	0	0	110.6	D187	T171-D187 PolarHBondContact N-O 2.95Å; T171-D187 PolarHBondContact O-N 2.96Å
172	T	95.4	Very high	87.1	Confident	72 Å²	72	58.6 Å²	58.6	44%	0.442	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	116.6	168.9	-61	0	0	0	0	108.1	L184 R185 D186	T172-L184 HydrophobicContact CG2-CB 4.08Å; T172-L184 HydrophobicContact CG2-CD1 4.09Å; T172-L184 HydrophobicContact CG2-CG 4.48Å; T172-R185 CarbonylContact C-O 3.53Å; T172-R185 VanDerWaalsContact CA-O 3.31Å; T172-R185 WeakPolarHBondContact CA-O 3.47Å; T172-D186 WeakPolarHBondContact CB-OD1 3.2Å; T172-D186 WeakPolarHBondContact CG2-OD1 3.14Å; T172-D186 PolarHBondContact OG1-OD1 2.67Å
173	E	93.6	Very high	86.9	Confident	86 Å²	86	56.6 Å²	56.6	40%	0.402	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	139.4	179.4	-70.2	178.5	-170.6	0	0	111	L184 R185	E173-L184 CarbonylContact O-C 3.56Å; E173-L184 WeakPolarHBondContact O-CA 3.2Å; E173-R185 PolarHBondContact N-O 2.73Å; E173-R185 PolarHBondContact O-N 3.43Å; E173-R185 IonicContact OE1-NH2 3.51Å; E173-R185 PolarHBondContact OE1-NH2 2.95Å; E173-R185 IonicContact OE2-CZ 2.74Å; E173-R185 IonicContact OE2-NH1 2.67Å; E173-R185 PolarHBondContact OE2-NH1 2.81Å; E173-R185 IonicContact OE2-NH2 3.72Å; E173-R185 PolarHBondContact OE2-NH2 2.89Å
174	D	90.4	Very high	86.9	Confident	93 Å²	93	57.6 Å²	57.6	50%	0.497	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	113.1	170.8	-170.6	-10.3	0	0	0	109.2	R159 G176 L184	R159-D174 IonicContact CZ-OD1 3.87Å; R159-D174 IonicContact CZ-OD2 3.42Å; R159-D174 IonicContact NH1-OD2 3.62Å; R159-D174 IonicContact NH2-OD1 2.9Å; R159-D174 PolarHBondContact NH2-OD1 2.95Å; R159-D174 IonicContact NH2-OD2 2.6Å; R159-D174 PolarHBondContact NH2-OD2 3.21Å; D174-G176 PolarHBondContact OD1-N 2.91Å; D174-L184 HydrophobicContact CB-CD2 4.04Å
175	V	88.5	Confident	86.8	Confident	60 Å²	60	60 Å²	60	36%	0.364	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	13.1	-174.5	-64.1	0	0	0	0	112.4	F156 L183 R185	F156-V175 HydrophobicContact CD1-CG2 3.97Å; F156-V175 HydrophobicContact CE1-CB 4.36Å; F156-V175 HydrophobicContact CE1-CG1 4.05Å; F156-V175 HydrophobicContact CE1-CG2 3.91Å; V175-L183 HydrophobicContact CG2-CB 3.74Å; V175-L183 HydrophobicContact CG2-CD2 3.7Å; V175-L183 HydrophobicContact CG2-CG 3.66Å; V175-L183 WeakPolarHBondContact CG2-O 3.44Å; V175-L183 PolarHBondContact N-O 3.44Å; V175-R185 HydrophobicContact CG1-CB 4.03Å
176	G	84.3	Confident	86.8	Confident	27 Å²	27	60.2 Å²	60.2	28%	0.278	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	90.3	-152	175.3	0	0	0	0	0	113.7	D174 L183	D174-G176 PolarHBondContact OD1-N 2.91Å; G176-L183 PolarHBondContact O-N 2.91Å
177	F	76.1	Confident	86.9	Confident	173 Å²	173	60.3 Å²	60.3	76%	0.759	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	131	-178.2	-67.7	-85.9	0	0	0	111.2	T181	F177-T181 WeakPolarHBondContact CA-O 3.4Å
178	Y	68.6	Low	87	Confident	73 Å²	73	60.1 Å²	60.1	29%	0.286	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123.2	173.5	-177	-96.3	0	0	0	108.4	H16 K25 G180 T181 L183	H16-Y178 AromaticContact CE1-CD1 3.72Å; H16-Y178 AromaticContact CE1-CE1 3.54Å; H16-Y178 AromaticContact CE1-CZ 3.92Å; H16-Y178 AromaticContact NE2-CE1 3.96Å; K25-Y178 PolarHBondContact NZ-OH 2.72Å; K25-Y178 VanDerWaalsContact NZ-OH 3.1Å; Y178-G180 PolarHBondContact O-N 2.55Å; Y178-G180 VanDerWaalsContact O-N 3.11Å; Y178-T181 PolarHBondContact N-O 2.81Å; Y178-T181 PolarHBondContact O-N 2.82Å; Y178-T181 PolarHBondContact O-OG1 3.04Å; Y178-L183 HydrophobicContact CG-CD2 4.33Å
179	M	62.5	Low	87.2	Confident	144 Å²	144	60.3 Å²	60.3	71%	0.709	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	32.7	-177.2	-66.6	-172.8	149.3	0	0	115
180	G	65.1	Low	87.3	Confident	71 Å²	71	61.3 Å²	61.3	73%	0.732	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	-5	176	0	0	0	0	0	115.5	Y178	Y178-G180 PolarHBondContact O-N 2.55Å; Y178-G180 VanDerWaalsContact O-N 3.11Å
181	T	70.7	Confident	87.4	Confident	47 Å²	47	55.6 Å²	55.6	29%	0.288	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	149.6	171.4	57.7	0	0	0	0	110.8	D158 F160 F177 Y178	D158-T181 WeakPolarHBondContact OD1-CB 3.44Å; D158-T181 PolarHBondContact OD1-OG1 2.74Å; F160-T181 HydrophobicContact CE1-CG2 4.39Å; F177-T181 WeakPolarHBondContact CA-O 3.4Å; Y178-T181 PolarHBondContact N-O 2.81Å; Y178-T181 PolarHBondContact O-N 2.82Å; Y178-T181 PolarHBondContact O-OG1 3.04Å
182	G	83.3	Confident	87.5	Confident	10 Å²	10	54.3 Å²	54.3	10%	0.103	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	125.7	169.2	0	0	0	0	0	109.7	R159	R159-G182 WeakPolarHBondContact CG-O 3.15Å; R159-G182 PolarHBondContact N-O 3.4Å; R159-G182 VanDerWaalsContact N-O 3.08Å
183	L	90.9	Very high	87.5	Confident	10 Å²	10	52.7 Å²	52.7	5%	0.052	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.9	-175	-170.7	74.7	0	0	0	110	F156 R157 V175 G176 Y178	F156-L183 HydrophobicContact CB-CD1 4.36Å; F156-L183 HydrophobicContact CB-CD2 4.46Å; F156-L183 HydrophobicContact CD1-CD2 3.75Å; F156-L183 HydrophobicContact CD1-CG 4.16Å; F156-L183 HydrophobicContact CE1-CD2 4.47Å; R157-L183 WeakPolarHBondContact O-CD1 3.2Å; V175-L183 HydrophobicContact CG2-CB 3.74Å; V175-L183 HydrophobicContact CG2-CD2 3.7Å; V175-L183 HydrophobicContact CG2-CG 3.66Å; V175-L183 WeakPolarHBondContact CG2-O 3.44Å; V175-L183 PolarHBondContact N-O 3.44Å; G176-L183 PolarHBondContact O-N 2.91Å; Y178-L183 HydrophobicContact CG-CD2 4.33Å
184	L	94.7	Very high	87.5	Confident	26 Å²	26	48.7 Å²	48.7	14%	0.136	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	148.5	175.9	-60.6	-178.1	0	0	0	109.9	F156 R157 R159 T172 E173 D174	F156-L184 CarbonylContact C-O 3.56Å; F156-L184 VanDerWaalsContact CA-O 3.32Å; F156-L184 WeakPolarHBondContact CA-O 3.47Å; R157-L184 PolarHBondContact N-O 2.73Å; R157-L184 PolarHBondContact O-N 3.32Å; R159-L184 HydrophobicContact CB-CD1 4.48Å; R159-L184 HydrophobicContact CG-CD1 3.92Å; R159-L184 HydrophobicContact CG-CD2 4.18Å; R159-L184 HydrophobicContact CG-CG 3.8Å; T172-L184 HydrophobicContact CG2-CB 4.08Å; T172-L184 HydrophobicContact CG2-CD1 4.09Å; T172-L184 HydrophobicContact CG2-CG 4.48Å; E173-L184 CarbonylContact O-C 3.56Å; E173-L184 WeakPolarHBondContact O-CA 3.2Å; D174-L184 HydrophobicContact CB-CD2 4.04Å
185	R	95.9	Very high	87.7	Confident	60 Å²	60	44.3 Å²	44.3	23%	0.226	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116	170.4	-170.9	-177	85.6	-138.2	-4.8	109.9	V155 F156 T172 E173 V175 D187	V155-R185 WeakPolarHBondContact O-CA 3.41Å; F156-R185 HydrophobicContact CD1-CB 3.97Å; F156-R185 HydrophobicContact CD1-CG 4.23Å; F156-R185 HydrophobicContact CD2-CG 4.3Å; F156-R185 HydrophobicContact CE1-CB 3.85Å; F156-R185 HydrophobicContact CE1-CG 4Å; F156-R185 HydrophobicContact CE2-CG 4.05Å; F156-R185 HydrophobicContact CG-CG 4.4Å; F156-R185 HydrophobicContact CZ-CB 4.26Å; F156-R185 VanDerWaalsContact CZ-CD 3.46Å; F156-R185 HydrophobicContact CZ-CG 3.91Å; T172-R185 CarbonylContact C-O 3.53Å; T172-R185 VanDerWaalsContact CA-O 3.31Å; T172-R185 WeakPolarHBondContact CA-O 3.47Å; E173-R185 PolarHBondContact N-O 2.73Å; E173-R185 PolarHBondContact O-N 3.43Å; E173-R185 IonicContact OE1-NH2 3.51Å; E173-R185 PolarHBondContact OE1-NH2 2.95Å; E173-R185 IonicContact OE2-CZ 2.74Å; E173-R185 IonicContact OE2-NH1 2.67Å; E173-R185 PolarHBondContact OE2-NH1 2.81Å; E173-R185 IonicContact OE2-NH2 3.72Å; E173-R185 PolarHBondContact OE2-NH2 2.89Å; V175-R185 HydrophobicContact CG1-CB 4.03Å; R185-D187 IonicContact CZ-OD1 3.17Å; R185-D187 IonicContact CZ-OD2 2.98Å; R185-D187 IonicContact NE-OD1 3.24Å; R185-D187 PolarHBondContact NE-OD1 3.1Å; R185-D187 IonicContact NE-OD2 3.26Å; R185-D187 PolarHBondContact NE-OD2 3.48Å; R185-D187 VanDerWaalsContact NE-OD2 3.1Å; R185-D187 IonicContact NH2-OD1 2.66Å; R185-D187 IonicContact NH2-OD2 3.8Å; R185-D187 PolarHBondContact NH2-OD2 2.89Å
186	D	97.6	Very high	87.9	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	119.8	169.8	-68.2	-25	0	0	0	109.6	S154 V155 R157 G163 V169 T172 F188	S154-D186 CarbonylContact C-O 3.49Å; S154-D186 VanDerWaalsContact CA-O 3.25Å; S154-D186 WeakPolarHBondContact CA-O 2.84Å; V155-D186 PolarHBondContact N-O 3.06Å; V155-D186 PolarHBondContact O-N 3.47Å; R157-D186 IonicContact CZ-OD1 3.92Å; R157-D186 IonicContact CZ-OD2 2.82Å; R157-D186 VanDerWaalsContact CZ-OD2 3.26Å; R157-D186 IonicContact NE-OD1 3.76Å; R157-D186 IonicContact NE-OD2 3.7Å; R157-D186 PolarHBondContact NE-OD2 3.19Å; R157-D186 VanDerWaalsContact NH2-CG 3.29Å; R157-D186 IonicContact NH2-OD1 3.81Å; R157-D186 PolarHBondContact NH2-OD1 3.23Å; R157-D186 IonicContact NH2-OD2 2.68Å; R157-D186 PolarHBondContact NH2-OD2 2.88Å; G163-D186 PolarHBondContact N-OD2 3.45Å; V169-D186 HydrophobicContact CG1-CB 4.33Å; V169-D186 HydrophobicContact CG2-CB 4.43Å; T172-D186 WeakPolarHBondContact CB-OD1 3.2Å; T172-D186 WeakPolarHBondContact CG2-OD1 3.14Å; T172-D186 PolarHBondContact OG1-OD1 2.67Å; D186-F188 HydrophobicContact CB-CE2 3.95Å; D186-F188 HydrophobicContact CB-CZ 4.24Å
187	D	97.4	Very high	88.3	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118.8	171.7	-65.9	-44.1	0	0	0	109.4	S154 H170 T171 R185	S154-D187 VanDerWaalsContact CB-OD1 3.23Å; S154-D187 WeakPolarHBondContact CB-OD1 3.4Å; S154-D187 PolarHBondContact OG-OD1 3.25Å; H170-D187 WeakPolarHBondContact CA-O 3.33Å; H170-D187 WeakPolarHBondContact CB-O 3.12Å; H170-D187 PolarHBondContact N-O 3.35Å; T171-D187 PolarHBondContact N-O 2.95Å; T171-D187 PolarHBondContact O-N 2.96Å; R185-D187 IonicContact CZ-OD1 3.17Å; R185-D187 IonicContact CZ-OD2 2.98Å; R185-D187 IonicContact NE-OD1 3.24Å; R185-D187 PolarHBondContact NE-OD1 3.1Å; R185-D187 IonicContact NE-OD2 3.26Å; R185-D187 PolarHBondContact NE-OD2 3.48Å; R185-D187 VanDerWaalsContact NE-OD2 3.1Å; R185-D187 IonicContact NH2-OD1 2.66Å; R185-D187 IonicContact NH2-OD2 3.8Å; R185-D187 PolarHBondContact NH2-OD2 2.89Å
188	F	97.1	Very high	89.1	Confident	4 Å²	4	34 Å²	34	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	150.3	-179.6	-64.8	-93.1	0	0	0	111.6	I153 V155 G163 S167 I168 V169 D186	I153-F188 HydrophobicContact CB-CD2 4.29Å; I153-F188 HydrophobicContact CG2-CD2 4.15Å; I153-F188 WeakPolarHBondContact O-CD2 3.3Å; I153-F188 PolarHBondContact O-N 2.72Å; V155-F188 HydrophobicContact CB-CE2 4.24Å; V155-F188 HydrophobicContact CG2-CE2 3.91Å; G163-F188 WeakPolarHBondContact O-CZ 3.47Å; S167-F188 WeakPolarHBondContact O-CD1 3.38Å; I168-F188 WeakPolarHBondContact O-CA 3.29Å; V169-F188 HydrophobicContact CG2-CD1 3.91Å; V169-F188 HydrophobicContact CG2-CE1 3.47Å; V169-F188 VanDerWaalsContact CG2-CE1 3.47Å; V169-F188 HydrophobicContact CG2-CZ 3.95Å; D186-F188 HydrophobicContact CB-CE2 3.95Å; D186-F188 HydrophobicContact CB-CZ 4.24Å
189	I	95.8	Very high	90.3	Very high	72 Å²	72	30.6 Å²	30.6	37%	0.369	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-60.4	143.1	171.6	-65.1	-173.4	0	0	0	109.3	S167 I168 H170 T191	S167-I189 VanDerWaalsContact CB-O 3.25Å; S167-I189 WeakPolarHBondContact CB-O 3.33Å; S167-I189 PolarHBondContact OG-O 3.23Å; I168-I189 HydrophobicContact CD1-CD1 3.61Å; I168-I189 HydrophobicContact CG1-CB 4.46Å; I168-I189 HydrophobicContact CG1-CD1 3.45Å; I168-I189 VanDerWaalsContact CG1-CD1 3.45Å; I168-I189 HydrophobicContact CG1-CG1 3.96Å; I168-I189 PolarHBondContact O-N 2.87Å; H170-I189 HydrophobicContact CB-CG1 3.8Å; I189-T191 PolarHBondContact O-N 3.49Å
190	E	96.4	Very high	91.8	Very high	75 Å²	75	24 Å²	24	35%	0.35	15%	0.148	S	C	.	.	P	Polyproline II helix	trans	-57.8	131.3	175.6	-178.8	162.2	110.2	0	0	112.3	R10 P150 F151	R10-E190 IonicContact CZ-OE2 3.47Å; R10-E190 IonicContact NE-OE2 3.31Å; R10-E190 PolarHBondContact NE-OE2 3.32Å; R10-E190 IonicContact NH2-OE2 2.73Å; R10-E190 PolarHBondContact NH2-OE2 2.8Å; P150-E190 HydrophobicContact CB-CG 3.69Å; F151-E190 WeakPolarHBondContact O-CA 3.41Å
191	T	96.6	Very high	93.4	Very high	6 Å²	6	20.6 Å²	20.6	4%	0.037	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-73.5	155.5	177	65	0	0	0	0	111.3	P150 F151 N166 I189 L194	P150-T191 WeakPolarHBondContact CB-O 3.09Å; F151-T191 HydrophobicContact CB-CG2 4.45Å; F151-T191 PolarHBondContact N-OG1 2.84Å; F151-T191 PolarHBondContact O-N 3.42Å; F151-T191 PolarHBondContact O-OG1 3.37Å; N166-T191 HydrophobicContact CB-CG2 3.88Å; I189-T191 PolarHBondContact O-N 3.49Å; T191-L194 HydrophobicContact CG2-CD1 4.14Å
192	P	95.7	Very high	94.6	Very high	24 Å²	24	18.4 Å²	18.4	16%	0.156	10%	0.1	C	C	.	.	S	Bend	trans	-56.4	164.1	157.8	-19.9	32.1	0	0	0	111.1	L194 P346 L347 F510	P192-L194 WeakPolarHBondContact O-CG 3.16Å; P192-L194 PolarHBondContact O-N 3.01Å; P192-L194 VanDerWaalsContact O-N 3.08Å; P192-P346 HydrophobicContact CG-CB 4.46Å; P192-L347 HydrophobicContact CG-CD2 3.93Å; P192-F510 HydrophobicContact CB-CD1 3.68Å; P192-F510 HydrophobicContact CB-CD2 4.21Å; P192-F510 HydrophobicContact CB-CE1 3.34Å; P192-F510 HydrophobicContact CB-CE2 3.91Å; P192-F510 HydrophobicContact CB-CG 4.1Å; P192-F510 HydrophobicContact CB-CZ 3.46Å; P192-F510 VanDerWaalsContact CB-CZ 3.46Å; P192-F510 HydrophobicContact CG-CE1 3.95Å; P192-F510 HydrophobicContact CG-CZ 3.86Å
193	P	96	Very high	95.3	Very high	39 Å²	39	18 Å²	18	25%	0.253	10%	0.095	S	C	.	.	S	Bend	trans	-56.9	118.6	179.1	-22.4	29.7	0	0	0	113.1	R148 A149 P150 F510	R148-P193 HydrophobicContact CB-CB 4.19Å; R148-P193 PolarHBondContact NE-O 3.32Å; R148-P193 VanDerWaalsContact NE-O 3.1Å; R148-P193 PolarHBondContact NH2-O 3Å; A149-P193 WeakPolarHBondContact O-CA 3.5Å; P150-P193 HydrophobicContact CG-CG 4.16Å; P193-F510 HydrophobicContact CB-CB 4.01Å; P193-F510 HydrophobicContact CG-CB 3.92Å
194	L	94.2	Very high	95.5	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	150.9	178.6	-67	177.2	0	0	0	110.2	R148 A149 F151 N166 T191 P192 A198 L366	R148-L194 VanDerWaalsContact CA-O 3.26Å; R148-L194 WeakPolarHBondContact CA-O 3.33Å; A149-L194 PolarHBondContact N-O 3.15Å; A149-L194 PolarHBondContact O-N 3.27Å; F151-L194 HydrophobicContact CD2-CB 4.27Å; F151-L194 HydrophobicContact CE2-CB 4.31Å; N166-L194 HydrophobicContact CB-CD1 4.42Å; T191-L194 HydrophobicContact CG2-CD1 4.14Å; P192-L194 WeakPolarHBondContact O-CG 3.16Å; P192-L194 PolarHBondContact O-N 3.01Å; P192-L194 VanDerWaalsContact O-N 3.08Å; L194-A198 HydrophobicContact CB-CB 4.49Å; L194-L366 HydrophobicContact CD2-CB 3.92Å; L194-L366 HydrophobicContact CD2-CD2 3.8Å
195	P	93.8	Very high	95.5	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.013	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	155.8	160.3	33.5	-35	0	0	0	110.1	V147 R148 D197 A198	V147-P195 WeakPolarHBondContact O-CA 3.25Å; R148-P195 HydrophobicContact CG-CB 4.34Å; P195-D197 VanDerWaalsContact C-N 3.27Å; P195-D197 VanDerWaalsContact CB-OD1 3.28Å; P195-D197 WeakPolarHBondContact CB-OD1 3.45Å; P195-D197 VanDerWaalsContact CG-OD1 3.27Å; P195-D197 WeakPolarHBondContact CG-OD1 3.28Å; P195-D197 PolarHBondContact O-N 3.37Å; P195-A198 HydrophobicContact CG-CB 3.74Å; P195-A198 PolarHBondContact O-N 2.98Å; P195-A198 VanDerWaalsContact O-N 3.08Å
196	A	94.1	Very high	95.5	Very high	3 Å²	3	15.5 Å²	15.5	3%	0.025	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-60.6	-36.3	-176	0	0	0	0	0	112.5	A135 F139 A198 V199	A135-A196 HydrophobicContact CB-CB 3.69Å; A135-A196 WeakPolarHBondContact CB-O 3.38Å; F139-A196 HydrophobicContact CZ-CB 4.43Å; A196-A198 PolarHBondContact O-N 3.47Å; A196-V199 PolarHBondContact O-N 3.37Å
197	D	91.2	Very high	95.3	Very high	24 Å²	24	19.6 Å²	19.6	13%	0.128	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-68.5	-12.3	177.5	67.3	-15.6	0	0	0	114.2	F130 P195 R409	F130-D197 HydrophobicContact CB-CB 4.39Å; F130-D197 WeakPolarHBondContact CB-O 3.47Å; P195-D197 VanDerWaalsContact C-N 3.27Å; P195-D197 VanDerWaalsContact CB-OD1 3.28Å; P195-D197 WeakPolarHBondContact CB-OD1 3.45Å; P195-D197 VanDerWaalsContact CG-OD1 3.27Å; P195-D197 WeakPolarHBondContact CG-OD1 3.28Å; P195-D197 PolarHBondContact O-N 3.37Å; D197-R409 IonicContact OD2-CZ 2.66Å; D197-R409 IonicContact OD2-NH1 2.97Å; D197-R409 IonicContact OD2-NH2 3.36Å; D197-R409 PolarHBondContact OD2-NH2 3.49Å
198	A	92.8	Very high	95.2	Very high	15 Å²	15	27.4 Å²	27.4	12%	0.124	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-97.6	-5.4	176.1	0	0	0	0	0	113.8	N166 L194 P195 A196 S365	N166-A198 PolarHBondContact ND2-O 3.25Å; L194-A198 HydrophobicContact CB-CB 4.49Å; P195-A198 HydrophobicContact CG-CB 3.74Å; P195-A198 PolarHBondContact O-N 2.98Å; P195-A198 VanDerWaalsContact O-N 3.08Å; A196-A198 PolarHBondContact O-N 3.47Å; A198-S365 WeakPolarHBondContact O-CB 3.22Å; A198-S365 PolarHBondContact O-OG 3.34Å
199	V	94.5	Very high	95.1	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.012	15%	0.15	C	C	.	.			trans	-72.5	141.3	174.7	-178.7	0	0	0	0	109.1	F130 F151 I153 N166 A196 W201	F130-V199 WeakPolarHBondContact CD2-O 3.42Å; F130-V199 HydrophobicContact CE2-CB 4.38Å; F130-V199 WeakPolarHBondContact CE2-O 3.34Å; F151-V199 HydrophobicContact CD1-CG2 3.79Å; F151-V199 HydrophobicContact CD2-CG2 3.56Å; F151-V199 HydrophobicContact CE1-CG2 3.77Å; F151-V199 HydrophobicContact CE2-CG2 3.52Å; F151-V199 HydrophobicContact CG-CG2 3.71Å; F151-V199 HydrophobicContact CZ-CG2 3.63Å; I153-V199 HydrophobicContact CD1-CG1 3.54Å; N166-V199 WeakPolarHBondContact OD1-CA 3.31Å; A196-V199 PolarHBondContact O-N 3.37Å; V199-W201 HydrophobicContact CG1-CE3 3.92Å; V199-W201 HydrophobicContact CG1-CZ3 3.7Å
200	A	95	Very high	95.1	Very high	5 Å²	5	30.2 Å²	30.2	4%	0.041	15%	0.153	C	C	.	.			trans	-148.2	148.3	176.5	0	0	0	0	0	112.6	T128 S165 N166 L368	T128-A200 WeakPolarHBondContact OG1-CA 3.41Å; T128-A200 WeakPolarHBondContact OG1-CB 3.36Å; S165-A200 VanDerWaalsContact CA-O 3.23Å; S165-A200 WeakPolarHBondContact CA-O 3.31Å; S165-A200 WeakPolarHBondContact CB-O 3.39Å; S165-A200 PolarHBondContact OG-O 3.33Å; N166-A200 PolarHBondContact N-O 2.93Å; N166-A200 PolarHBondContact OD1-N 3.06Å; N166-A200 PolarHBondContact OD1-O 2.91Å; A200-L368 HydrophobicContact CB-CD2 3.76Å
201	W	96.8	Very high	95	Very high	1 Å²	1	28 Å²	28	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	155.6	168.1	60.4	84.7	0	0	0	111.8	I15 F110 T128 F130 A138 F139 I153 L164 V199	I15-W201 HydrophobicContact CD1-CD2 3.54Å; I15-W201 HydrophobicContact CD1-CE3 3.9Å; I15-W201 HydrophobicContact CD1-CG 4.26Å; I15-W201 HydrophobicContact CD1-CH2 3.56Å; I15-W201 HydrophobicContact CD1-CZ2 3.17Å; I15-W201 HydrophobicContact CD1-CZ3 3.9Å; F110-W201 AromaticContact CD2-NE1 3.45Å; F110-W201 AromaticContact CE1-NE1 3.86Å; F110-W201 AromaticContact CE2-CD1 3.7Å; F110-W201 AromaticContact CE2-NE1 3.18Å; F110-W201 HydrophobicContact CG-CZ2 4.31Å; F110-W201 AromaticContact CG-NE1 3.92Å; F110-W201 AromaticContact CZ-NE1 3.41Å; T128-W201 HydrophobicContact CG2-CD2 3.49Å; T128-W201 VanDerWaalsContact CG2-CD2 3.49Å; T128-W201 HydrophobicContact CG2-CE3 3.98Å; T128-W201 HydrophobicContact CG2-CG 3.98Å; T128-W201 HydrophobicContact CG2-CH2 3.86Å; T128-W201 HydrophobicContact CG2-CZ2 3.33Å; T128-W201 HydrophobicContact CG2-CZ3 4.16Å; T128-W201 PolarHBondContact N-O 3.34Å; T128-W201 PolarHBondContact OG1-N 2.95Å; T128-W201 PolarHBondContact OG1-O 3.37Å; F130-W201 HydrophobicContact CE2-CZ3 4.47Å; F130-W201 AromaticContact CZ-CH2 3.94Å; F130-W201 HydrophobicContact CZ-CH2 3.94Å; F130-W201 HydrophobicContact CZ-CZ2 4.49Å; F130-W201 HydrophobicContact CZ-CZ3 4.3Å; A138-W201 HydrophobicContact CB-CH2 3.98Å; A138-W201 HydrophobicContact CB-CZ2 3.98Å; F139-W201 AromaticContact CD1-CH2 3.67Å; F139-W201 HydrophobicContact CD1-CH2 3.67Å; F139-W201 HydrophobicContact CD1-CZ3 4.27Å; F139-W201 AromaticContact CE1-CH2 3.91Å; F139-W201 HydrophobicContact CE1-CH2 3.91Å; F139-W201 HydrophobicContact CE1-CZ3 4.1Å; I153-W201 HydrophobicContact CD1-CE3 4.35Å; L164-W201 CarbonylContact O-C 3.59Å; L164-W201 WeakPolarHBondContact O-CA 3.32Å; L164-W201 VanDerWaalsContact O-CB 3.29Å; L164-W201 WeakPolarHBondContact O-CB 3.48Å; V199-W201 HydrophobicContact CG1-CE3 3.92Å; V199-W201 HydrophobicContact CG1-CZ3 3.7Å
202	V	97.4	Very high	94.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	138.6	179	-177.3	0	0	0	0	109.6	L125 A126 A127 G163 L164 V353 L368	L125-V202 HydrophobicContact CD1-CG1 4.41Å; A126-V202 CarbonylContact O-C 3.57Å; A126-V202 WeakPolarHBondContact O-CA 3.3Å; A127-V202 HydrophobicContact CB-CG1 4.27Å; A127-V202 HydrophobicContact CB-CG2 4.01Å; G163-V202 WeakPolarHBondContact CA-O 3.22Å; L164-V202 HydrophobicContact CB-CB 4.25Å; L164-V202 PolarHBondContact N-O 3.48Å; L164-V202 PolarHBondContact O-N 3.48Å; V202-V353 HydrophobicContact CG1-CG1 4.36Å; V202-V353 HydrophobicContact CG2-CG1 4.43Å; V202-L368 HydrophobicContact CG2-CD2 4.48Å
203	V	97.6	Very high	94.1	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	115.4	169.7	-177.1	0	0	0	0	108	P17 L19 L125 A126 V155 R157 H161 I162	P17-V203 HydrophobicContact CG-CB 4.49Å; P17-V203 HydrophobicContact CG-CG2 3.94Å; L19-V203 HydrophobicContact CD1-CG1 4.3Å; L125-V203 CarbonylContact C-O 3.49Å; L125-V203 WeakPolarHBondContact CA-O 3.38Å; L125-V203 WeakPolarHBondContact CB-O 3.5Å; A126-V203 PolarHBondContact N-O 3.33Å; A126-V203 PolarHBondContact O-N 3.34Å; V155-V203 HydrophobicContact CG1-CG2 3.5Å; V155-V203 VanDerWaalsContact CG1-CG2 3.5Å; R157-V203 HydrophobicContact CB-CG1 4.01Å; H161-V203 HydrophobicContact CB-CG1 3.91Å; I162-V203 WeakPolarHBondContact O-CA 3.36Å
204	S	95.7	Very high	93.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	174.1	-176.5	64.6	0	0	0	0	110.7	H161 I162 F206	H161-S204 CarbonylContact C-O 3.56Å; H161-S204 VanDerWaalsContact CA-O 3.22Å; H161-S204 WeakPolarHBondContact CA-O 3.32Å; H161-S204 WeakPolarHBondContact CB-O 3.22Å; I162-S204 VanDerWaalsContact CG1-O 3.3Å; I162-S204 WeakPolarHBondContact CG1-O 3.31Å; I162-S204 PolarHBondContact N-O 3.19Å; I162-S204 PolarHBondContact O-N 3.1Å; S204-F206 WeakPolarHBondContact OG-CG 2.89Å; S204-F206 PolarHBondContact OG-N 2.85Å
205	D	94.1	Very high	92.8	Very high	34 Å²	34	37.2 Å²	37.2	18%	0.182	20%	0.2	C	C	.	.			trans	-105.2	25.3	168.5	60	-27.7	0	0	0	111.8	Y115 R123	Y115-D205 PolarHBondContact OH-OD1 3.36Å; R123-D205 WeakPolarHBondContact CD-OD2 3.39Å; R123-D205 IonicContact CZ-OD2 3.59Å; R123-D205 IonicContact NE-OD2 3.82Å; R123-D205 IonicContact NH1-OD2 2.74Å; R123-D205 PolarHBondContact NH1-OD2 2.88Å
206	F	95	Very high	91.8	Very high	9 Å²	9	41.2 Å²	41.2	4%	0.039	23%	0.233	C	C	.	.			trans	-61.2	148	-179.4	-74	-7.4	0	0	0	113.2	Y115 L125 S204 P316 V353 A354	Y115-F206 AromaticContact CD1-CE1 3.9Å; Y115-F206 HydrophobicContact CD1-CE1 3.9Å; Y115-F206 HydrophobicContact CE1-CD1 4.08Å; Y115-F206 AromaticContact CE1-CE1 3.5Å; Y115-F206 HydrophobicContact CE1-CE1 3.5Å; Y115-F206 HydrophobicContact CE2-CE1 4.45Å; Y115-F206 HydrophobicContact CG-CE1 4.48Å; Y115-F206 AromaticContact CZ-CE1 3.8Å; L125-F206 HydrophobicContact CD2-CE1 3.87Å; L125-F206 HydrophobicContact CD2-CE2 4.5Å; L125-F206 HydrophobicContact CD2-CZ 3.6Å; S204-F206 WeakPolarHBondContact OG-CG 2.89Å; S204-F206 PolarHBondContact OG-N 2.85Å; F206-P316 HydrophobicContact CD1-CG 4.22Å; F206-P316 HydrophobicContact CE1-CG 3.69Å; F206-P316 HydrophobicContact CZ-CG 4.25Å; F206-V353 HydrophobicContact CD2-CG1 4.01Å; F206-V353 HydrophobicContact CE2-CG1 3.77Å; F206-A354 VanDerWaalsContact CE2-O 3.23Å; F206-A354 WeakPolarHBondContact CE2-O 3.34Å; F206-A354 WeakPolarHBondContact CZ-O 3.43Å
207	Q	94.4	Very high	90.5	Very high	89 Å²	89	42.4 Å²	42.4	42%	0.416	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	169.4	169.6	-63.8	-170.1	16.5	0	0	109.8	Y314 A315 L320	Q207-Y314 VanDerWaalsContact O-CA 3.32Å; Q207-Y314 WeakPolarHBondContact O-CA 3.2Å; Q207-A315 PolarHBondContact N-O 2.71Å; Q207-A315 PolarHBondContact O-N 3.44Å; Q207-A315 VanDerWaalsContact O-N 3.15Å; Q207-L320 HydrophobicContact CB-CD1 3.45Å; Q207-L320 VanDerWaalsContact CB-CD1 3.45Å; Q207-L320 HydrophobicContact CB-CG 4.46Å
208	R	95.2	Very high	89.2	Confident	169 Å²	169	45.7 Å²	45.7	64%	0.638	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	149.1	-176.2	69.6	178.8	177.3	-178.5	-2.7	114.5	T312 F313 Y314	R208-T312 HydrophobicContact CB-CG2 3.8Å; R208-T312 HydrophobicContact CG-CG2 4.37Å; R208-F313 CarbonylContact C-O 3.59Å; R208-F313 WeakPolarHBondContact CA-O 3.3Å; R208-Y314 HydrophobicContact CB-CD1 3.72Å; R208-Y314 HydrophobicContact CB-CE1 3.63Å; R208-Y314 HydrophobicContact CB-CG 4.33Å; R208-Y314 HydrophobicContact CG-CE1 4.33Å
209	E	95.9	Very high	87.3	Confident	74 Å²	74	49.6 Å²	49.6	35%	0.346	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.6	166.2	-174.5	173.7	168.7	0	0	108.7	T312 F313 L320 S323 L327	E209-T312 CarbonylContact O-C 3.54Å; E209-T312 WeakPolarHBondContact O-CA 3.23Å; E209-F313 PolarHBondContact N-O 3.48Å; E209-F313 PolarHBondContact O-N 3.04Å; E209-L320 HydrophobicContact CB-CD2 4.38Å; E209-L320 VanDerWaalsContact OE2-O 3.07Å; E209-S323 VanDerWaalsContact CD-OG 3.23Å; E209-S323 PolarHBondContact OE2-OG 3.27Å; E209-L327 HydrophobicContact CB-CD1 4.42Å; E209-L327 HydrophobicContact CG-CD1 4.17Å
210	S	94.2	Very high	84.8	Confident	61 Å²	61	55.7 Å²	55.7	43%	0.427	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.8	-177.9	-63.6	0	0	0	0	111.1	Y311 T312	S210-Y311 CarbonylContact C-O 3.58Å; S210-Y311 VanDerWaalsContact CA-O 3.31Å; S210-Y311 WeakPolarHBondContact CA-O 3.49Å; S210-T312 VanDerWaalsContact OG-CG2 3.32Å; S210-T312 WeakPolarHBondContact OG-CG2 3.43Å; S210-T312 PolarHBondContact OG-OG1 2.89Å
211	L	94.1	Very high	82	Confident	27 Å²	27	61.5 Å²	61.5	14%	0.141	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.3	172.8	-176.2	65.3	0	0	0	109.7	Y311 L327 H328 R331	L211-Y311 PolarHBondContact N-O 2.78Å; L211-Y311 PolarHBondContact O-N 3.32Å; L211-L327 HydrophobicContact CB-CB 4.04Å; L211-L327 HydrophobicContact CB-CD1 4.27Å; L211-L327 HydrophobicContact CD2-CB 3.89Å; L211-H328 HydrophobicContact CD2-CB 4.37Å; L211-R331 HydrophobicContact CD2-CB 4.22Å
212	Q	88.1	Confident	79	Confident	129 Å²	129	67.1 Å²	67.1	60%	0.603	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-74.7	153.2	175.5	-64.6	-59.1	-34.2	0	0	111.1	R331	Q212-R331 WeakPolarHBondContact O-CD 3.36Å
213	P	86.3	Confident	75.8	Confident	21 Å²	21	71.3 Å²	71.3	14%	0.136	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-50.4	158.8	168.7	-29.2	36.5	0	0	0	113.9	A308	P213-A308 HydrophobicContact CB-CB 3.44Å; P213-A308 VanDerWaalsContact CB-CB 3.44Å; P213-A308 HydrophobicContact CG-CB 3.6Å
214	S	85.1	Confident	72.8	Confident	30 Å²	30	77 Å²	77	21%	0.21	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-65.5	159.9	173.6	82.3	0	0	0	0	111.8	A216 Y217 I218 E335	S214-A216 PolarHBondContact O-N 2.85Å; S214-Y217 PolarHBondContact O-N 3.48Å; S214-I218 PolarHBondContact O-N 2.89Å; S214-E335 WeakPolarHBondContact CB-OE2 3.46Å; S214-E335 PolarHBondContact N-OE1 3.27Å; S214-E335 PolarHBondContact OG-OE2 3.39Å
215	A	77.7	Confident	69.8	Low	85 Å²	85	82.9 Å²	82.9	70%	0.702	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-55.7	-27	-179	0	0	0	0	0	113.8	Y217 I218	A215-Y217 PolarHBondContact O-N 3.42Å; A215-I218 PolarHBondContact O-N 2.76Å
216	A	71.8	Confident	67.1	Low	86 Å²	86	85.2 Å²	85.2	71%	0.711	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-62.8	-21.9	176	0	0	0	0	0	113.1	S214	S214-A216 PolarHBondContact O-N 2.85Å
217	Y	68.8	Low	64	Low	27 Å²	27	90.4 Å²	90.4	11%	0.106	57%	0.566	C	S	.	*	G	3₁₀ helix	trans	-112.3	-1.7	-177.1	-69.4	-97.3	0	0	0	113.7	S214 A215 I305 A308 E335 T339	S214-Y217 PolarHBondContact O-N 3.48Å; A215-Y217 PolarHBondContact O-N 3.42Å; Y217-I305 HydrophobicContact CD1-CG2 4.46Å; Y217-I305 HydrophobicContact CE1-CB 4.24Å; Y217-I305 HydrophobicContact CE1-CG2 3.56Å; Y217-A308 VanDerWaalsContact CB-CB 3.44Å; Y217-A308 HydrophobicContact CD1-CB 3.63Å; Y217-A308 HydrophobicContact CD2-CB 4.47Å; Y217-A308 HydrophobicContact CE1-CB 4.46Å; Y217-A308 HydrophobicContact CG-CB 3.62Å; Y217-E335 HydrophobicContact CD2-CG 4.15Å; Y217-E335 VanDerWaalsContact CD2-OE2 3.29Å; Y217-E335 WeakPolarHBondContact CD2-OE2 3.43Å; Y217-E335 HydrophobicContact CE2-CB 3.86Å; Y217-E335 HydrophobicContact CE2-CG 3.89Å; Y217-E335 WeakPolarHBondContact CE2-OE2 3.23Å; Y217-E335 PolarHBondContact OH-O 3.29Å; Y217-T339 PolarHBondContact OH-OG1 3.34Å
218	I	62.6	Low	60.8	Low	93 Å²	93	89.5 Å²	89.5	48%	0.477	58%	0.581	S	S	.	*	S	Bend	trans	-80.5	128.8	174.3	-60.3	175.4	0	0	0	108.4	S214 A215 T220	S214-I218 PolarHBondContact O-N 2.89Å; A215-I218 PolarHBondContact O-N 2.76Å; I218-T220 PolarHBondContact O-N 3.35Å; I218-T220 VanDerWaalsContact O-N 3.14Å
219	P	53.6	Low	57.7	Low	97 Å²	97	88.7 Å²	88.7	63%	0.63	60%	0.595	S	S	*	*			trans	-60.5	119	173.1	-18.1	29.4	0	0	0	110.3	T221	P219-T221 PolarHBondContact O-N 3.3Å
220	T	41.4	Very low	54.4	Low	131 Å²	131	89 Å²	89	80%	0.804	62%	0.618	S	S	*	*			trans	-68.1	98.4	163.9	40.4	0	0	0	0	107.9	I218 P222	I218-T220 PolarHBondContact O-N 3.35Å; I218-T220 VanDerWaalsContact O-N 3.14Å; T220-P222 VanDerWaalsContact O-CD 3.28Å; T220-P222 WeakPolarHBondContact O-CD 3.5Å
221	T	36.2	Very low	51.2	Low	127 Å²	127	89.8 Å²	89.8	78%	0.779	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-65.3	120.5	166.9	38.9	0	0	0	0	108.5	P219 A223	P219-T221 PolarHBondContact O-N 3.3Å; T221-A223 PolarHBondContact O-N 3.07Å
222	P	34	Very low	48	Very low	118 Å²	118	97.8 Å²	97.8	77%	0.766	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-62.7	133.4	166.5	-13.5	28.2	0	0	0	108.1	T220	T220-P222 VanDerWaalsContact O-CD 3.28Å; T220-P222 WeakPolarHBondContact O-CD 3.5Å
223	A	29.3	Very low	45.1	Very low	89 Å²	89	100.7 Å²	100.7	74%	0.736	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-55.1	138	171.7	0	0	0	0	0	109.5	T221	T221-A223 PolarHBondContact O-N 3.07Å
224	P	34.8	Very low	42.2	Very low	120 Å²	120	105.8 Å²	105.8	78%	0.779	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-62.7	137.5	175.9	-14.7	27.3	0	0	0	109.7	G226	P224-G226 PolarHBondContact O-N 3.06Å
225	P	33.2	Very low	39.4	Very low	124 Å²	124	108.8 Å²	108.8	81%	0.805	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-63.1	135.1	172.2	25.4	-30.2	0	0	0	109.6	S227	P225-S227 PolarHBondContact O-N 2.89Å
226	G	36.8	Very low	36.9	Very low	84 Å²	84	114.5 Å²	114.5	87%	0.866	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-64.5	130.3	178.8	0	0	0	0	0	112.7	P224	P224-G226 PolarHBondContact O-N 3.06Å
227	S	30.8	Very low	34.6	Very low	117 Å²	117	116.7 Å²	116.7	82%	0.818	75%	0.754	S	S	*	*			trans	-161	114	154.2	56.2	0	0	0	0	104.9	P225	P225-S227 PolarHBondContact O-N 2.89Å
228	G	27.7	Very low	32.5	Very low	71 Å²	71	123.6 Å²	123.6	73%	0.732	79%	0.793	S	S	*	*				97.3	91.5	67.8	0	0	0	0	0	108.9
229	V	29.9	Very low	30.5	Very low	151 Å²	151	125 Å²	125	92%	0.915	80%	0.801	S	S	*	*			trans	65.8	112.1	150.5	-167.4	0	0	0	0	119.5
230	G	26.7	Very low	29.1	Very low	81 Å²	81	131.4 Å²	131.4	84%	0.835	81%	0.814	S	S	*	*				103.2	108.8	126.2	0	0	0	0	0	119.1
231	G	26.7	Very low	28.3	Very low	78 Å²	78	131.4 Å²	131.4	80%	0.804	81%	0.814	S	S	*	*			trans	136	85.5	148.1	0	0	0	0	0	118.4
232	K	27	Very low	27.7	Very low	195 Å²	195	133.8 Å²	133.8	85%	0.848	82%	0.817	S	S	*	*			trans	0.5	148.4	146.1	-61.5	173.4	-178.4	173.1	0	117.8
233	K	26.7	Very low	27.4	Very low	190 Å²	190	136.7 Å²	136.7	83%	0.826	83%	0.825	S	S	*	*			cis	-179	139.7	1.1	-104.9	179.5	179.4	-172.4	0	105.3
234	S	26.2	Very low	27.3	Very low	127 Å²	127	142 Å²	142	89%	0.888	83%	0.832	S	S	*	*				-176.8	139.3	116.4	62.3	0	0	0	0	110.2
235	A	24.8	Very low	26.9	Very low	93 Å²	93	139.9 Å²	139.9	77%	0.769	83%	0.831	S	S	*	*			trans	-100.6	151.6	-166.1	0	0	0	0	0	111
236	Q	25.7	Very low	26.6	Very low	205 Å²	205	144.1 Å²	144.1	96%	0.958	84%	0.837	S	S	*	*				-155.8	147.7	125.8	-108.5	179.9	7.1	0	0	111.2
237	L	24	Very low	26.2	Very low	133 Å²	133	147.5 Å²	147.5	70%	0.696	84%	0.835	S	S	*	*			trans	-106.7	126.3	-146.4	-173.8	86.3	0	0	0	109.3
238	N	24.1	Very low	26.1	Very low	171 Å²	171	147.8 Å²	147.8	91%	0.914	83%	0.834	S	S	*	*			trans	-115.4	104.6	157.4	-87.7	-13	0	0	0	108.1
239	N	21.2	Very low	26	Very low	123 Å²	123	148.1 Å²	148.1	66%	0.658	82%	0.823	S	S	*	*			trans	-84.3	127.1	163.5	-83.1	-15.5	0	0	0	108.1
240	Y	24.1	Very low	26.3	Very low	231 Å²	231	148.4 Å²	148.4	91%	0.906	83%	0.825	S	S	*	*				-156.2	137.7	120.1	-100.1	-74.3	0	0	0	109.8
241	T	25.6	Very low	26.5	Very low	131 Å²	131	154.2 Å²	154.2	80%	0.804	82%	0.822	S	S	*	*			trans	-67.1	127	-157	1.7	0	0	0	0	114.9
242	Q	23.3	Very low	26.7	Very low	178 Å²	178	155.8 Å²	155.8	83%	0.832	81%	0.811	S	S	*	*			trans	-71.4	137.6	156.2	-72.2	176.6	-18.2	0	0	110.2
243	L	27.2	Very low	27	Very low	179 Å²	179	149.9 Å²	149.9	94%	0.937	79%	0.788	S	S	*	*			trans	-107.1	126.3	156.2	-87.2	162.9	0	0	0	109.1
244	K	26.9	Very low	27.3	Very low	201 Å²	201	144.2 Å²	144.2	87%	0.874	77%	0.77	S	S	*	*			trans	-74	127.8	-171.9	-78.5	175.7	170.8	177.2	0	113.4
245	G	26.7	Very low	27.4	Very low	74 Å²	74	142.3 Å²	142.3	76%	0.763	76%	0.762	S	S	*	*			trans	37.5	130.8	130.8	0	0	0	0	0	123.4
246	K	27.1	Very low	27.7	Very low	214 Å²	214	145.9 Å²	145.9	93%	0.93	77%	0.767	S	S	*	*			trans	-142.3	146.3	135.4	-89.5	-174.1	178.8	177.9	0	110.3
247	N	28.2	Very low	27.9	Very low	155 Å²	155	141.1 Å²	141.1	83%	0.829	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-47.4	158.1	-170.9	-70.1	-17.8	0	0	0	117.3
248	P	27.9	Very low	28.1	Very low	122 Å²	122	143.8 Å²	143.8	79%	0.792	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-80	138	-172.3	33.7	-32.4	0	0	0	111.2
249	P	27.1	Very low	28.2	Very low	79 Å²	79	141.1 Å²	141.1	51%	0.513	76%	0.755	S	S	.	*	P	Polyproline II helix	trans	-90.4	137.2	157.2	31.9	-24.6	0	0	0	109.2	R251	P249-R251 HydrophobicContact CB-CG 4.29Å; P249-R251 HydrophobicContact CG-CG 3.94Å; P249-R251 PolarHBondContact O-N 3.49Å
250	V	35.6	Very low	28.4	Very low	156 Å²	156	143.1 Å²	143.1	95%	0.945	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-54.8	119.8	158.1	177.3	0	0	0	0	106.8
251	R	30.7	Very low	28.4	Very low	204 Å²	204	139.2 Å²	139.2	77%	0.77	76%	0.76	S	S	*	*			trans	-121.6	116.2	-175.2	-79.6	-174.4	177.8	178	4.3	112.1	P249	P249-R251 HydrophobicContact CB-CG 4.29Å; P249-R251 HydrophobicContact CG-CG 3.94Å; P249-R251 PolarHBondContact O-N 3.49Å
252	N	30.2	Very low	28.5	Very low	110 Å²	110	139.7 Å²	139.7	59%	0.588	76%	0.762	S	S	*	*			trans	-66.4	135.5	161.3	-155.7	-10.9	0	0	0	108.8	T254	N252-T254 PolarHBondContact O-N 3.37Å
253	I	34	Very low	28.6	Very low	71 Å²	71	138.3 Å²	138.3	36%	0.364	76%	0.761	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.7	17.1	-165.4	-65.2	165.5	0	0	0	113.4	Q434	I253-Q434 VanDerWaalsContact CG2-NE2 3.27Å
254	T	32	Very low	28.5	Very low	71 Å²	71	137.4 Å²	137.4	44%	0.436	76%	0.756	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.7	4.4	-170.2	-7.8	0	0	0	0	116.4	N252 V769	N252-T254 PolarHBondContact O-N 3.37Å; T254-V769 HydrophobicContact CG2-CG2 3.54Å
255	A	29	Very low	28.4	Very low	88 Å²	88	134.7 Å²	134.7	73%	0.727	76%	0.756	S	S	*	*			trans	-126.6	80.7	-175.1	0	0	0	0	0	113.5
256	L	30.6	Very low	28.6	Very low	167 Å²	167	136.6 Å²	136.6	87%	0.874	76%	0.756	S	S	*	*			trans	-138.2	63.3	163.7	-88.7	171.4	0	0	0	110.5
257	T	30.9	Very low	28.5	Very low	105 Å²	105	138 Å²	138	64%	0.644	76%	0.755	S	S	*	*			trans	-146.9	111.4	156.5	50.1	0	0	0	0	107.4
258	H	28.5	Very low	28.3	Very low	190 Å²	190	140.2 Å²	140.2	88%	0.88	76%	0.761	S	S	*	*			trans	146.7	101.1	155.9	-80.1	-60.4	0	0	0	109.7
259	S	25	Very low	28	Very low	114 Å²	114	141.5 Å²	141.5	80%	0.797	76%	0.761	S	S	*	*				175.7	119.4	126.8	57.1	0	0	0	0	109.2
260	L	25.5	Very low	27.9	Very low	165 Å²	165	145.3 Å²	145.3	86%	0.864	78%	0.776	S	S	*	*			trans	-170.8	101.8	138.7	-100.2	163	0	0	0	108.8
261	N	25.1	Very low	27.2	Very low	149 Å²	149	143.9 Å²	143.9	80%	0.797	77%	0.768	S	S	*	*				172.5	127.1	128	-90.2	-18.8	0	0	0	110.4
262	V	26.9	Very low	26.9	Very low	141 Å²	141	140.7 Å²	140.7	86%	0.855	77%	0.77	S	S	*	*				166.8	146.2	115.8	165.8	0	0	0	0	110.1
263	N	25.4	Very low	26.5	Very low	149 Å²	149	142 Å²	142	80%	0.797	78%	0.782	S	S	*	*			trans	-65.9	157.4	-166.4	-70.9	-43.8	0	0	0	118.5
264	L	26.1	Very low	26	Very low	160 Å²	160	146.6 Å²	146.6	84%	0.838	80%	0.802	S	S	*	*			trans	-17.4	137.9	156.7	-68.1	150.2	0	0	0	119.7
265	T	23.5	Very low	25.7	Very low	144 Å²	144	148.8 Å²	148.8	88%	0.883	82%	0.817	S	S	*	*				-172.2	158.6	127	26.7	0	0	0	0	111.2
266	P	31.3	Very low	25.4	Very low	115 Å²	115	150.9 Å²	150.9	75%	0.747	82%	0.821	S	S	*	*			trans	-107.9	152.1	-159	38.3	-29.7	0	0	0	116.7
267	R	24.9	Very low	25	Very low	244 Å²	244	149 Å²	149	92%	0.921	82%	0.817	S	S	*	*			trans	47.9	124.6	150.9	-81.9	-175.5	171.1	174.3	-1.9	120.4
268	Q	24.8	Very low	24.6	Very low	201 Å²	201	150.1 Å²	150.1	94%	0.939	82%	0.824	S	S	*	*				-157.1	153.9	128.6	-107.9	172.6	11.4	0	0	112.4
269	N	22	Very low	24.3	Very low	149 Å²	149	147.8 Å²	147.8	80%	0.797	82%	0.823	S	S	*	*			trans	-79.9	176.2	-166.6	-83.3	-23.2	0	0	0	115.5
270	L	23.6	Very low	24.2	Very low	158 Å²	158	145.8 Å²	145.8	83%	0.827	81%	0.814	S	S	*	*			trans	98.2	135.8	156.8	-53.3	164	0	0	0	113.6
271	T	22	Very low	23.9	Very low	127 Å²	127	149.3 Å²	149.3	78%	0.779	82%	0.816	S	S	*	*			cis	-164.8	150.1	2.9	10.1	0	0	0	0	108
272	V	23	Very low	24.2	Very low	136 Å²	136	147.7 Å²	147.7	82%	0.824	81%	0.813	S	S	*	*			trans	-77.9	129.5	177	170.6	0	0	0	0	110.6
273	V	23.1	Very low	24.1	Very low	137 Å²	137	147.7 Å²	147.7	83%	0.83	81%	0.813	S	S	*	*			trans	-144.7	123	153.9	-179.2	0	0	0	0	109.2
274	Q	23.2	Very low	23.9	Very low	169 Å²	169	148 Å²	148	79%	0.79	82%	0.815	S	S	*	*			trans	-73.9	163.8	171.2	-76.8	-175.6	-29.9	0	0	111.9
275	P	25.9	Very low	24	Very low	116 Å²	116	147.4 Å²	147.4	75%	0.753	81%	0.812	S	S	*	*				-142.1	133.3	117.4	21.2	0.5	0	0	0	116.6
276	T	21.8	Very low	24	Very low	132 Å²	132	148.5 Å²	148.5	81%	0.81	81%	0.812	S	S	*	*			trans	44.3	123.3	131.5	58.1	0	0	0	0	123.2
277	T	22.6	Very low	23.6	Very low	127 Å²	127	146.5 Å²	146.5	78%	0.779	81%	0.812	S	S	*	*			trans	-81.2	168.6	161.9	42.3	0	0	0	0	114.7
278	T	22.7	Very low	23.6	Very low	130 Å²	130	143.3 Å²	143.3	80%	0.798	81%	0.814	S	S	*	*			trans	113.6	131.2	161.2	69.2	0	0	0	0	112.2
279	T	21.6	Very low	23.6	Very low	140 Å²	140	137.6 Å²	137.6	86%	0.859	81%	0.808	S	S	*	*			cis	-156	169.1	39.1	38.9	0	0	0	0	111.1
280	A	22.4	Very low	23.7	Very low	73 Å²	73	140.4 Å²	140.4	60%	0.603	81%	0.813	S	S	*	*			trans	-131.6	168.2	-177.6	0	0	0	0	0	112.2
281	W	20.4	Very low	23.9	Very low	238 Å²	238	138.6 Å²	138.6	90%	0.902	81%	0.811	S	S	*	*			trans	88.4	158.1	157.9	-56.8	88.3	0	0	0	118.8
282	P	30.1	Very low	23.9	Very low	115 Å²	115	137.9 Å²	137.9	75%	0.747	81%	0.811	S	S	*	*			cis	-136.5	174.4	-10.7	21.7	3.6	0	0	0	116.1
283	V	24.8	Very low	23.9	Very low	141 Å²	141	138.4 Å²	138.4	86%	0.855	81%	0.81	S	S	*	*			trans	-93.9	145.5	165	170.1	0	0	0	0	110
284	N	21.7	Very low	23.9	Very low	156 Å²	156	140.6 Å²	140.6	83%	0.834	82%	0.816	S	S	*	*			trans	-130.9	144.8	167.4	-144.6	-4.1	0	0	0	112.1
285	L	28.9	Very low	24	Very low	148 Å²	148	138.5 Å²	138.5	78%	0.775	82%	0.815	S	S	*	*			trans	-85.9	145.5	-169	-71.1	131.9	0	0	0	113.5
286	N	22.9	Very low	23.9	Very low	167 Å²	167	138.9 Å²	138.9	89%	0.893	82%	0.82	S	S	*	*			trans	171.5	138.8	130.9	-90.9	-18.7	0	0	0	114.1
287	G	23.6	Very low	24.3	Very low	72 Å²	72	141.1 Å²	141.1	74%	0.742	83%	0.826	S	S	*	*			trans	100.2	88.6	136	0	0	0	0	0	121.1
288	N	25.1	Very low	24.8	Very low	178 Å²	178	140.2 Å²	140.2	95%	0.952	83%	0.825	S	S	*	*			trans	39.1	112.5	140.8	-70.5	-12.2	0	0	0	122.7
289	G	23.1	Very low	25.1	Very low	80 Å²	80	143.2 Å²	143.2	83%	0.825	83%	0.83	S	S	*	*			trans	175.1	102	152	0	0	0	0	0	112.8
290	K	25.6	Very low	25.5	Very low	208 Å²	208	142.2 Å²	142.2	90%	0.904	83%	0.829	S	S	*	*			trans	-74.6	151.3	168.7	-87	-176.8	178.6	178.5	0	110
291	P	26.6	Very low	25.8	Very low	120 Å²	120	145.4 Å²	145.4	78%	0.779	84%	0.841	S	S	*	*				-141.8	178.3	61.6	34.2	-12.4	0	0	0	112.8
292	S	22.3	Very low	26.7	Very low	112 Å²	112	137.8 Å²	137.8	78%	0.783	84%	0.837	S	S	*	*			cis	-165.4	148.9	-3.3	32.7	0	0	0	0	107.6
293	N	22.4	Very low	27	Very low	148 Å²	148	136.9 Å²	136.9	79%	0.791	83%	0.833	S	S	*	*			trans	-68.4	141.8	-167.2	-66.9	-26.8	0	0	0	116.8
294	L	24.2	Very low	28	Very low	182 Å²	182	135 Å²	135	95%	0.953	83%	0.826	S	S	*	*			trans	-135.1	73.4	149.1	-102.5	159	0	0	0	108.1
295	T	25.1	Very low	29.4	Very low	126 Å²	126	129.4 Å²	129.4	77%	0.773	80%	0.795	S	S	*	*			trans	-144	103.5	167.2	26.5	0	0	0	0	108.5
296	S	22.9	Very low	30.6	Very low	123 Å²	123	129.9 Å²	129.9	86%	0.86	79%	0.791	S	S	*	*			trans	-151.1	70.6	156	68.4	0	0	0	0	110.1
297	L	31.9	Very low	32.4	Very low	179 Å²	179	130.1 Å²	130.1	94%	0.937	78%	0.78	S	S	*	*			trans	-126.9	67	158.3	-123.3	145.4	0	0	0	107.2
298	S	32.7	Very low	34.6	Very low	108 Å²	108	127.6 Å²	127.6	76%	0.755	75%	0.752	S	S	*	*			trans	-169.2	108.2	156	52.7	0	0	0	0	109.3
299	Q	29.2	Very low	37.5	Very low	193 Å²	193	119.1 Å²	119.1	90%	0.902	71%	0.707	S	S	*	*			trans	166.5	87.3	134.8	-89.4	173.7	14	0	0	108.3
300	S	28.8	Very low	40.7	Very low	120 Å²	120	117.3 Å²	117.3	84%	0.839	68%	0.681	S	S	*	*			trans	-118.7	102.4	148.2	66.8	0	0	0	0	107.8
301	T	30.1	Very low	44.1	Very low	139 Å²	139	107.4 Å²	107.4	85%	0.853	64%	0.638	S	S	*	*			trans	-62.2	121.9	170.8	42.3	0	0	0	0	111.3
302	G	38.2	Very low	47.4	Very low	79 Å²	79	102.1 Å²	102.1	81%	0.814	60%	0.603	S	S	*	*			trans	82.5	93.2	147.9	0	0	0	0	0	119.5
303	S	37.3	Very low	51	Low	96 Å²	96	96.8 Å²	96.8	67%	0.671	57%	0.566	S	S	*	*			trans	-167.1	111.2	150.1	171.9	0	0	0	0	109.6	I305	S303-I305 PolarHBondContact O-N 3.47Å
304	S	44.4	Very low	54.6	Low	100 Å²	100	90.6 Å²	90.6	70%	0.699	53%	0.532	S	S	*	.			trans	-80	106.8	-176.3	57.1	0	0	0	0	111.9	K306	S304-K306 PolarHBondContact O-N 2.8Å
305	I	51.3	Low	57.9	Low	39 Å²	39	81.9 Å²	81.9	20%	0.2	49%	0.486	C	S	.	.			trans	-76.9	107.2	170.1	-47.8	178.1	0	0	0	108.2	Y217 S303	Y217-I305 HydrophobicContact CD1-CG2 4.46Å; Y217-I305 HydrophobicContact CE1-CB 4.24Å; Y217-I305 HydrophobicContact CE1-CG2 3.56Å; S303-I305 PolarHBondContact O-N 3.47Å
306	K	54.1	Low	61.1	Low	159 Å²	159	76.2 Å²	76.2	69%	0.691	45%	0.451	S	S	*	.			trans	-135.8	50.3	-178.3	-71.6	-167	177.4	-175.5	0	114.3	S304	S304-K306 PolarHBondContact O-N 2.8Å
307	R	61.8	Low	64.2	Low	172 Å²	172	78.4 Å²	78.4	65%	0.649	44%	0.441	S	S	*	.			trans	-146.8	101.3	155	-84.2	-169.4	-174.4	170.2	1.6	108.8	Q338	R307-Q338 PolarHBondContact O-OE1 3.03Å
308	A	68.9	Low	66.8	Low	19 Å²	19	73.7 Å²	73.7	16%	0.157	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-90.9	142.3	159.9	0	0	0	0	0	109.2	P213 Y217	P213-A308 HydrophobicContact CB-CB 3.44Å; P213-A308 VanDerWaalsContact CB-CB 3.44Å; P213-A308 HydrophobicContact CG-CB 3.6Å; Y217-A308 VanDerWaalsContact CB-CB 3.44Å; Y217-A308 HydrophobicContact CD1-CB 3.63Å; Y217-A308 HydrophobicContact CD2-CB 4.47Å; Y217-A308 HydrophobicContact CE1-CB 4.46Å; Y217-A308 HydrophobicContact CG-CB 3.62Å
309	P	86.8	Confident	69.4	Low	0 Å²	0	69.6 Å²	69.6	0%	0	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-72.6	152.6	173.9	29.9	-31.9	0	0	0	111	Y311 L334 Y345 T348 V350	P309-Y311 HydrophobicContact CG-CE1 4.14Å; P309-Y311 HydrophobicContact CG-CE2 4.22Å; P309-Y311 WeakPolarHBondContact O-CD2 3.45Å; P309-Y311 WeakPolarHBondContact O-CE2 3.4Å; P309-L334 HydrophobicContact CG-CD2 3.55Å; P309-Y345 HydrophobicContact CB-CD1 3.81Å; P309-Y345 HydrophobicContact CB-CE1 3.88Å; P309-Y345 HydrophobicContact CG-CD1 3.64Å; P309-Y345 HydrophobicContact CG-CE1 3.99Å; P309-Y345 HydrophobicContact CG-CG 4.43Å; P309-T348 CarbonylContact C-O 3.4Å; P309-T348 VanDerWaalsContact CA-O 3.24Å; P309-T348 WeakPolarHBondContact CA-O 3.23Å; P309-V350 HydrophobicContact CB-CG2 4.06Å; P309-V350 HydrophobicContact CG-CG2 3.94Å
310	S	90.6	Very high	72.3	Confident	42 Å²	42	61.3 Å²	61.3	29%	0.294	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	139.5	160.3	58.8	0	0	0	0	110.1	T348 K349 V350	S310-T348 PolarHBondContact N-O 3.04Å; S310-T348 PolarHBondContact OG-O 3.31Å; S310-K349 CarbonylContact O-C 3.55Å; S310-K349 VanDerWaalsContact O-CA 3.23Å; S310-K349 WeakPolarHBondContact O-CA 3.27Å; S310-K349 WeakPolarHBondContact OG-CB 3.44Å; S310-V350 PolarHBondContact O-N 2.92Å
311	Y	95.6	Very high	75.1	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.6	176.6	-55.3	-95.5	0	0	0	108.7	S210 L211 P309 R331 L334 V350 F352	S210-Y311 CarbonylContact C-O 3.58Å; S210-Y311 VanDerWaalsContact CA-O 3.31Å; S210-Y311 WeakPolarHBondContact CA-O 3.49Å; L211-Y311 PolarHBondContact N-O 2.78Å; L211-Y311 PolarHBondContact O-N 3.32Å; P309-Y311 HydrophobicContact CG-CE1 4.14Å; P309-Y311 HydrophobicContact CG-CE2 4.22Å; P309-Y311 WeakPolarHBondContact O-CD2 3.45Å; P309-Y311 WeakPolarHBondContact O-CE2 3.4Å; Y311-R331 HydrophobicContact CD1-CB 4.41Å; Y311-R331 HydrophobicContact CD2-CB 3.96Å; Y311-R331 HydrophobicContact CD2-CG 4.05Å; Y311-R331 HydrophobicContact CE1-CB 4.17Å; Y311-R331 HydrophobicContact CE2-CB 3.72Å; Y311-R331 HydrophobicContact CE2-CG 3.53Å; Y311-R331 HydrophobicContact CG-CB 4.31Å; Y311-R331 VanDerWaalsContact CZ-CA 3.46Å; Y311-L334 HydrophobicContact CE1-CB 4.32Å; Y311-L334 HydrophobicContact CE1-CD2 3.81Å; Y311-L334 WeakPolarHBondContact OH-CD2 3.37Å; Y311-V350 WeakPolarHBondContact CA-O 3.41Å; Y311-V350 HydrophobicContact CD1-CB 4.21Å; Y311-V350 HydrophobicContact CE1-CG2 4.46Å; Y311-F352 HydrophobicContact CD1-CE2 4.39Å
312	T	97	Very high	77.9	Confident	8 Å²	8	60.1 Å²	60.1	5%	0.049	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.8	179.7	-53.3	0	0	0	0	111	R208 E209 S210 Y314 V350 D351 F352	R208-T312 HydrophobicContact CB-CG2 3.8Å; R208-T312 HydrophobicContact CG-CG2 4.37Å; E209-T312 CarbonylContact O-C 3.54Å; E209-T312 WeakPolarHBondContact O-CA 3.23Å; S210-T312 VanDerWaalsContact OG-CG2 3.32Å; S210-T312 WeakPolarHBondContact OG-CG2 3.43Å; S210-T312 PolarHBondContact OG-OG1 2.89Å; T312-Y314 HydrophobicContact CG2-CD2 3.97Å; T312-Y314 HydrophobicContact CG2-CE1 4.38Å; T312-Y314 HydrophobicContact CG2-CE2 3.31Å; T312-V350 PolarHBondContact N-O 3.47Å; T312-V350 VanDerWaalsContact N-O 3.11Å; T312-D351 WeakPolarHBondContact CB-OD1 3.33Å; T312-D351 CarbonylContact O-C 3.59Å; T312-D351 VanDerWaalsContact O-CA 3.27Å; T312-D351 WeakPolarHBondContact O-CA 3.44Å; T312-F352 PolarHBondContact O-N 2.83Å
313	F	97.6	Very high	80.4	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	133	177.7	-162.7	-86.1	0	0	0	110.1	R208 E209 A315 L320 S323 I326 L327 F352 A354 L371 L376	R208-F313 CarbonylContact C-O 3.59Å; R208-F313 WeakPolarHBondContact CA-O 3.3Å; E209-F313 PolarHBondContact N-O 3.48Å; E209-F313 PolarHBondContact O-N 3.04Å; F313-A315 HydrophobicContact CD1-CB 4.11Å; F313-A315 HydrophobicContact CE1-CB 3.66Å; F313-L320 HydrophobicContact CD1-CD2 4.17Å; F313-S323 VanDerWaalsContact CD1-CB 3.4Å; F313-I326 HydrophobicContact CD2-CB 4.4Å; F313-I326 HydrophobicContact CD2-CG2 4.22Å; F313-I326 HydrophobicContact CE2-CB 4.24Å; F313-I326 HydrophobicContact CE2-CD1 3.58Å; F313-I326 HydrophobicContact CE2-CG2 4.11Å; F313-I326 HydrophobicContact CZ-CD1 4.13Å; F313-L327 HydrophobicContact CB-CD1 3.98Å; F313-L327 HydrophobicContact CB-CD2 3.99Å; F313-L327 HydrophobicContact CB-CG 4.02Å; F313-F352 CarbonylContact C-O 3.4Å; F313-F352 HydrophobicContact CD2-CB 3.37Å; F313-F352 HydrophobicContact CD2-CG 4.1Å; F313-F352 HydrophobicContact CE2-CB 3.74Å; F313-F352 HydrophobicContact CG-CB 4.16Å; F313-A354 HydrophobicContact CE1-CB 4.21Å; F313-A354 HydrophobicContact CZ-CB 4.13Å; F313-L371 HydrophobicContact CE2-CD1 4.4Å; F313-L371 HydrophobicContact CE2-CD2 3.61Å; F313-L371 HydrophobicContact CZ-CD1 4.13Å; F313-L371 HydrophobicContact CZ-CD2 4Å; F313-L371 HydrophobicContact CZ-CG 4.49Å; F313-L376 HydrophobicContact CE1-CD1 3.99Å; F313-L376 HydrophobicContact CE1-CD2 4.36Å; F313-L376 HydrophobicContact CE2-CD2 4.28Å; F313-L376 HydrophobicContact CZ-CD1 3.85Å; F313-L376 HydrophobicContact CZ-CD2 3.66Å; F313-L376 HydrophobicContact CZ-CG 4.29Å
314	Y	96.9	Very high	83.1	Confident	18 Å²	18	53.9 Å²	53.9	7%	0.071	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.1	-178.8	-66.1	-95.2	0	0	0	110.4	I162 L164 Q207 R208 T312 D351 F352 V353 A354	I162-Y314 HydrophobicContact CD1-CD1 3.57Å; I162-Y314 HydrophobicContact CD1-CE1 3.66Å; L164-Y314 HydrophobicContact CD1-CD1 3.88Å; L164-Y314 HydrophobicContact CD1-CD2 3.82Å; L164-Y314 HydrophobicContact CD1-CE1 4.21Å; L164-Y314 HydrophobicContact CD1-CE2 4.17Å; L164-Y314 HydrophobicContact CD1-CG 3.66Å; L164-Y314 HydrophobicContact CD2-CD1 4.2Å; L164-Y314 HydrophobicContact CD2-CD2 4.4Å; L164-Y314 HydrophobicContact CD2-CE1 3.66Å; L164-Y314 HydrophobicContact CD2-CE2 3.91Å; Q207-Y314 VanDerWaalsContact O-CA 3.32Å; Q207-Y314 WeakPolarHBondContact O-CA 3.2Å; R208-Y314 HydrophobicContact CB-CD1 3.72Å; R208-Y314 HydrophobicContact CB-CE1 3.63Å; R208-Y314 HydrophobicContact CB-CG 4.33Å; R208-Y314 HydrophobicContact CG-CE1 4.33Å; T312-Y314 HydrophobicContact CG2-CD2 3.97Å; T312-Y314 HydrophobicContact CG2-CE1 4.38Å; T312-Y314 HydrophobicContact CG2-CE2 3.31Å; Y314-D351 HydrophobicContact CD2-CB 4.29Å; Y314-D351 HydrophobicContact CE2-CB 4.02Å; Y314-F352 PolarHBondContact N-O 2.89Å; Y314-V353 WeakPolarHBondContact O-CA 3.43Å; Y314-A354 PolarHBondContact O-N 3.33Å
315	A	94.9	Very high	85.4	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	171.3	179.6	0	0	0	0	0	111.7	Q207 F313 L319 L320 A354	Q207-A315 PolarHBondContact N-O 2.71Å; Q207-A315 PolarHBondContact O-N 3.44Å; Q207-A315 VanDerWaalsContact O-N 3.15Å; F313-A315 HydrophobicContact CD1-CB 4.11Å; F313-A315 HydrophobicContact CE1-CB 3.66Å; A315-L319 HydrophobicContact CB-CB 4.14Å; A315-L320 HydrophobicContact CB-CD2 4.12Å; A315-A354 HydrophobicContact CB-CB 3.88Å
316	P	90.9	Very high	87.4	Confident	6 Å²	6	49.5 Å²	49.5	4%	0.039	23%	0.229	C	C	.	.			trans	-51.4	147.2	160.3	-27.1	37.6	0	0	0	111.8	Y115 F206 D318 L319 L320	Y115-P316 HydrophobicContact CD2-CB 3.92Å; Y115-P316 HydrophobicContact CD2-CG 3.46Å; Y115-P316 VanDerWaalsContact CD2-CG 3.46Å; Y115-P316 HydrophobicContact CE2-CB 3.78Å; Y115-P316 HydrophobicContact CE2-CG 3.59Å; Y115-P316 HydrophobicContact CG-CG 4.02Å; F206-P316 HydrophobicContact CD1-CG 4.22Å; F206-P316 HydrophobicContact CE1-CG 3.69Å; F206-P316 HydrophobicContact CZ-CG 4.25Å; P316-D318 VanDerWaalsContact C-N 3.27Å; P316-D318 WeakPolarHBondContact CB-OD1 3.31Å; P316-D318 PolarHBondContact O-N 3.48Å; P316-L319 HydrophobicContact CG-CD1 4.38Å; P316-L319 PolarHBondContact O-N 2.98Å; P316-L320 PolarHBondContact O-N 3.4Å
317	R	88.3	Confident	89.4	Confident	170 Å²	170	42 Å²	42	64%	0.642	20%	0.197	S	C	*	.	H	α-helix	trans	-57.5	-38.4	-170	-175.9	178.1	-171.3	174.9	0.4	113.5	L319 L320	R317-L319 VanDerWaalsContact C-N 3.29Å; R317-L319 PolarHBondContact O-N 3.19Å; R317-L320 PolarHBondContact O-N 2.88Å
318	D	86.6	Confident	91	Very high	80 Å²	80	37 Å²	37	43%	0.428	18%	0.181	S	C	.	.	H	α-helix	trans	-65.9	-28.1	178.6	56.9	-53.6	0	0	0	113.1	P316	P316-D318 VanDerWaalsContact C-N 3.27Å; P316-D318 WeakPolarHBondContact CB-OD1 3.31Å; P316-D318 PolarHBondContact O-N 3.48Å
319	L	88.6	Confident	92.3	Very high	22 Å²	22	36.7 Å²	36.7	12%	0.115	18%	0.177	C	C	.	.	H	α-helix	trans	-91.2	-17.7	179.7	-63	-177.7	0	0	0	113.5	A315 P316 R317 I321 R322 T373 L376	A315-L319 HydrophobicContact CB-CB 4.14Å; P316-L319 HydrophobicContact CG-CD1 4.38Å; P316-L319 PolarHBondContact O-N 2.98Å; R317-L319 VanDerWaalsContact C-N 3.29Å; R317-L319 PolarHBondContact O-N 3.19Å; L319-I321 VanDerWaalsContact C-N 3.26Å; L319-I321 PolarHBondContact O-N 3.28Å; L319-R322 WeakPolarHBondContact O-CB 3.38Å; L319-R322 PolarHBondContact O-N 2.96Å; L319-T373 HydrophobicContact CD1-CG2 3.78Å; L319-L376 HydrophobicContact CB-CD1 3.92Å; L319-L376 HydrophobicContact CD1-CD1 4.3Å
320	L	89.7	Confident	92.7	Very high	18 Å²	18	36.7 Å²	36.7	9%	0.094	18%	0.177	C	C	.	.	H	α-helix	trans	-57.9	-36.5	-177.8	-79	-177.2	0	0	0	113.4	Q207 E209 F313 A315 P316 R317 R322 S323	Q207-L320 HydrophobicContact CB-CD1 3.45Å; Q207-L320 VanDerWaalsContact CB-CD1 3.45Å; Q207-L320 HydrophobicContact CB-CG 4.46Å; E209-L320 HydrophobicContact CB-CD2 4.38Å; E209-L320 VanDerWaalsContact OE2-O 3.07Å; F313-L320 HydrophobicContact CD1-CD2 4.17Å; A315-L320 HydrophobicContact CB-CD2 4.12Å; P316-L320 PolarHBondContact O-N 3.4Å; R317-L320 PolarHBondContact O-N 2.88Å; L320-R322 PolarHBondContact O-N 3.14Å; L320-S323 WeakPolarHBondContact O-CB 3.42Å; L320-S323 PolarHBondContact O-N 3.4Å; L320-S323 PolarHBondContact O-OG 3.48Å
321	I	87.3	Confident	93	Very high	142 Å²	142	36.8 Å²	36.8	73%	0.728	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.2	179.4	-163.8	163.7	0	0	0	112.9	L319	L319-I321 VanDerWaalsContact C-N 3.26Å; L319-I321 PolarHBondContact O-N 3.28Å
322	R	88.3	Confident	92.9	Very high	93 Å²	93	38.7 Å²	38.7	35%	0.351	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-1.7	179.2	-53	-172.2	-175.5	172.1	1.1	113	L319 L320 S324 L376 E845	L319-R322 WeakPolarHBondContact O-CB 3.38Å; L319-R322 PolarHBondContact O-N 2.96Å; L320-R322 PolarHBondContact O-N 3.14Å; R322-S324 PolarHBondContact O-N 3.34Å; R322-L376 HydrophobicContact CB-CB 4.12Å; R322-L376 WeakPolarHBondContact CD-O 3.4Å; R322-L376 PolarHBondContact NH1-O 3.03Å; R322-E845 IonicContact NH1-OE1 3.94Å
323	S	92.5	Very high	92.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.179	C	C	.	.			trans	-73	-26.1	-175.7	80	0	0	0	0	114.1	E209 F313 L320 F325 I326 L327	E209-S323 VanDerWaalsContact CD-OG 3.23Å; E209-S323 PolarHBondContact OE2-OG 3.27Å; F313-S323 VanDerWaalsContact CD1-CB 3.4Å; L320-S323 WeakPolarHBondContact O-CB 3.42Å; L320-S323 PolarHBondContact O-N 3.4Å; L320-S323 PolarHBondContact O-OG 3.48Å; S323-F325 VanDerWaalsContact C-N 3.3Å; S323-F325 PolarHBondContact O-N 3.5Å; S323-I326 PolarHBondContact O-N 3.2Å; S323-L327 PolarHBondContact O-N 3.38Å
324	S	92.9	Very high	92.8	Very high	43 Å²	43	38.3 Å²	38.3	30%	0.301	18%	0.179	S	C	.	.	H	α-helix	trans	-54.1	-43.6	-171.2	178.7	0	0	0	0	112.9	R322 I326 L327 H328	R322-S324 PolarHBondContact O-N 3.34Å; S324-I326 PolarHBondContact O-N 2.84Å; S324-L327 PolarHBondContact O-N 2.9Å; S324-H328 WeakPolarHBondContact O-CB 3.42Å; S324-H328 PolarHBondContact O-N 3.5Å; S324-H328 PolarHBondContact O-ND1 3.34Å; S324-H328 PolarHBondContact OG-CE1 3.03Å; S324-H328 PolarHBondContact OG-ND1 3.4Å
325	F	92.2	Very high	92.7	Very high	45 Å²	45	38 Å²	38	20%	0.197	18%	0.178	C	C	.	.	H	α-helix	trans	-59.9	-42.9	178.5	169.9	-115	0	0	0	112.7	S323 T329 Y387 A391 I394	S323-F325 VanDerWaalsContact C-N 3.3Å; S323-F325 PolarHBondContact O-N 3.5Å; F325-T329 VanDerWaalsContact O-CB 3.27Å; F325-T329 WeakPolarHBondContact O-CB 3.21Å; F325-T329 PolarHBondContact O-N 3.33Å; F325-T329 VanDerWaalsContact O-N 3.13Å; F325-T329 PolarHBondContact O-OG1 3.48Å; F325-Y387 HydrophobicContact CD1-CE2 4.49Å; F325-Y387 AromaticContact CD2-CE2 3.89Å; F325-Y387 HydrophobicContact CD2-CE2 3.89Å; F325-Y387 AromaticContact CD2-CZ 3.78Å; F325-Y387 WeakPolarHBondContact CD2-OH 3.26Å; F325-Y387 HydrophobicContact CE1-CE2 4.28Å; F325-Y387 HydrophobicContact CE2-CE1 4.17Å; F325-Y387 AromaticContact CE2-CE2 3.65Å; F325-Y387 HydrophobicContact CE2-CE2 3.65Å; F325-Y387 AromaticContact CE2-CZ 3.43Å; F325-Y387 VanDerWaalsContact CE2-CZ 3.43Å; F325-Y387 VanDerWaalsContact CE2-OH 3.25Å; F325-Y387 WeakPolarHBondContact CE2-OH 3.39Å; F325-Y387 HydrophobicContact CG-CE2 4.3Å; F325-Y387 HydrophobicContact CZ-CD2 4.35Å; F325-Y387 AromaticContact CZ-CE2 3.84Å; F325-Y387 HydrophobicContact CZ-CE2 3.84Å; F325-A391 HydrophobicContact CE2-CB 4.34Å; F325-A391 HydrophobicContact CZ-CB 3.84Å; F325-I394 HydrophobicContact CD1-CD1 3.92Å; F325-I394 HydrophobicContact CE1-CD1 3.46Å; F325-I394 VanDerWaalsContact CE1-CD1 3.46Å; F325-I394 HydrophobicContact CZ-CD1 3.98Å
326	I	94.8	Very high	92.7	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-68.8	-46.8	179.7	-66.1	171.1	0	0	0	110.4	F313 S323 S324 S330 F352 L371 F375 L376 I394	F313-I326 HydrophobicContact CD2-CB 4.4Å; F313-I326 HydrophobicContact CD2-CG2 4.22Å; F313-I326 HydrophobicContact CE2-CB 4.24Å; F313-I326 HydrophobicContact CE2-CD1 3.58Å; F313-I326 HydrophobicContact CE2-CG2 4.11Å; F313-I326 HydrophobicContact CZ-CD1 4.13Å; S323-I326 PolarHBondContact O-N 3.2Å; S324-I326 PolarHBondContact O-N 2.84Å; I326-S330 WeakPolarHBondContact O-CB 3.46Å; I326-S330 PolarHBondContact O-N 3.34Å; I326-S330 PolarHBondContact O-OG 2.92Å; I326-F352 HydrophobicContact CG2-CD1 3.66Å; I326-F352 HydrophobicContact CG2-CE1 3.86Å; I326-F352 HydrophobicContact CG2-CG 4.08Å; I326-F352 HydrophobicContact CG2-CZ 4.45Å; I326-L371 HydrophobicContact CD1-CD1 3.96Å; I326-L371 HydrophobicContact CD1-CD2 4.16Å; I326-F375 HydrophobicContact CD1-CD1 4.09Å; I326-F375 HydrophobicContact CD1-CE1 4.25Å; I326-F375 HydrophobicContact CG1-CE1 4.43Å; I326-L376 HydrophobicContact CD1-CD2 3.36Å; I326-I394 HydrophobicContact CB-CD1 4.41Å; I326-I394 HydrophobicContact CG1-CD1 3.87Å; I326-I394 HydrophobicContact CG1-CG1 4.39Å
327	L	95.8	Very high	92.9	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-48.7	-178.2	-73.7	173.6	0	0	0	111.8	E209 L211 F313 S323 S324 R331 F352	E209-L327 HydrophobicContact CB-CD1 4.42Å; E209-L327 HydrophobicContact CG-CD1 4.17Å; L211-L327 HydrophobicContact CB-CB 4.04Å; L211-L327 HydrophobicContact CB-CD1 4.27Å; L211-L327 HydrophobicContact CD2-CB 3.89Å; F313-L327 HydrophobicContact CB-CD1 3.98Å; F313-L327 HydrophobicContact CB-CD2 3.99Å; F313-L327 HydrophobicContact CB-CG 4.02Å; S323-L327 PolarHBondContact O-N 3.38Å; S324-L327 PolarHBondContact O-N 2.9Å; L327-R331 WeakPolarHBondContact O-CB 3.46Å; L327-R331 PolarHBondContact O-N 3.02Å; L327-F352 HydrophobicContact CD2-CD2 4.19Å; L327-F352 HydrophobicContact CD2-CE2 4.46Å
328	H	94.8	Very high	93.1	Very high	68 Å²	68	32.3 Å²	32.3	32%	0.315	16%	0.156	S	C	.	.	H	α-helix	trans	-67.5	-49.1	-178.5	-71.2	84.4	0	0	0	111.8	L211 S324 S330 R331 D332	L211-H328 HydrophobicContact CD2-CB 4.37Å; S324-H328 WeakPolarHBondContact O-CB 3.42Å; S324-H328 PolarHBondContact O-N 3.5Å; S324-H328 PolarHBondContact O-ND1 3.34Å; S324-H328 PolarHBondContact OG-CE1 3.03Å; S324-H328 PolarHBondContact OG-ND1 3.4Å; H328-S330 VanDerWaalsContact C-N 3.29Å; H328-S330 PolarHBondContact O-N 3.42Å; H328-R331 PolarHBondContact O-N 3.34Å; H328-D332 PolarHBondContact O-N 3.47Å
329	T	95.6	Very high	93.4	Very high	12 Å²	12	32.1 Å²	32.1	7%	0.074	16%	0.158	C	C	.	.	H	α-helix	trans	-59.8	-42.3	178.7	-53.5	0	0	0	0	111.1	F325 V333 A391 I394 L430	F325-T329 VanDerWaalsContact O-CB 3.27Å; F325-T329 WeakPolarHBondContact O-CB 3.21Å; F325-T329 PolarHBondContact O-N 3.33Å; F325-T329 VanDerWaalsContact O-N 3.13Å; F325-T329 PolarHBondContact O-OG1 3.48Å; T329-V333 HydrophobicContact CG2-CG2 4.35Å; T329-V333 WeakPolarHBondContact O-CB 3.24Å; T329-V333 VanDerWaalsContact O-CG2 3.23Å; T329-V333 WeakPolarHBondContact O-CG2 3.11Å; T329-V333 PolarHBondContact O-N 3.19Å; T329-A391 HydrophobicContact CG2-CB 4.49Å; T329-I394 HydrophobicContact CG2-CB 4.14Å; T329-I394 HydrophobicContact CG2-CD1 4.43Å; T329-I394 HydrophobicContact CG2-CG2 3.85Å; T329-L430 HydrophobicContact CG2-CD1 4.43Å
330	S	96.6	Very high	93.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.2	-44.2	178.2	-61.3	0	0	0	0	112.4	I326 H328 L334 F352 I394	I326-S330 WeakPolarHBondContact O-CB 3.46Å; I326-S330 PolarHBondContact O-N 3.34Å; I326-S330 PolarHBondContact O-OG 2.92Å; H328-S330 VanDerWaalsContact C-N 3.29Å; H328-S330 PolarHBondContact O-N 3.42Å; S330-L334 WeakPolarHBondContact O-CB 3.31Å; S330-L334 PolarHBondContact O-N 2.96Å; S330-F352 VanDerWaalsContact CB-CZ 3.45Å; S330-F352 WeakPolarHBondContact OG-CE1 3.47Å; S330-F352 WeakPolarHBondContact OG-CZ 3.42Å; S330-I394 WeakPolarHBondContact OG-CG2 3.27Å
331	R	95.7	Very high	93.9	Very high	44 Å²	44	31.1 Å²	31.1	17%	0.166	15%	0.151	C	C	.	.	H	α-helix	trans	-59.3	-52.7	177.4	178.1	-166.6	70.3	-166.3	-4.1	111	L211 Q212 Y311 L327 H328 V333 L334 E335	L211-R331 HydrophobicContact CD2-CB 4.22Å; Q212-R331 WeakPolarHBondContact O-CD 3.36Å; Y311-R331 HydrophobicContact CD1-CB 4.41Å; Y311-R331 HydrophobicContact CD2-CB 3.96Å; Y311-R331 HydrophobicContact CD2-CG 4.05Å; Y311-R331 HydrophobicContact CE1-CB 4.17Å; Y311-R331 HydrophobicContact CE2-CB 3.72Å; Y311-R331 HydrophobicContact CE2-CG 3.53Å; Y311-R331 HydrophobicContact CG-CB 4.31Å; Y311-R331 VanDerWaalsContact CZ-CA 3.46Å; L327-R331 WeakPolarHBondContact O-CB 3.46Å; L327-R331 PolarHBondContact O-N 3.02Å; H328-R331 PolarHBondContact O-N 3.34Å; R331-V333 PolarHBondContact O-N 3.3Å; R331-L334 PolarHBondContact O-N 3.29Å; R331-E335 HydrophobicContact CG-CG 4.42Å; R331-E335 VanDerWaalsContact CG-OE1 3.24Å; R331-E335 WeakPolarHBondContact CG-OE1 3.3Å; R331-E335 WeakPolarHBondContact O-CB 3.48Å; R331-E335 WeakPolarHBondContact O-CG 3.11Å; R331-E335 PolarHBondContact O-N 3.04Å
332	D	95.2	Very high	94.1	Very high	39 Å²	39	27.5 Å²	27.5	21%	0.209	13%	0.134	C	C	.	.	H	α-helix	trans	-65.5	-42.2	-172.9	-60.2	-13.8	0	0	0	110.4	H328 Y336 L433	H328-D332 PolarHBondContact O-N 3.47Å; D332-Y336 VanDerWaalsContact O-CB 3.25Å; D332-Y336 WeakPolarHBondContact O-CB 3.45Å; D332-Y336 PolarHBondContact O-N 2.9Å; D332-L433 HydrophobicContact CB-CD1 4.07Å
333	V	97.1	Very high	94.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.6	-46.8	175.7	175.6	0	0	0	0	112.1	T329 R331 E335 Y336 L337 A395 M398 A429 L430 L433	T329-V333 HydrophobicContact CG2-CG2 4.35Å; T329-V333 WeakPolarHBondContact O-CB 3.24Å; T329-V333 VanDerWaalsContact O-CG2 3.23Å; T329-V333 WeakPolarHBondContact O-CG2 3.11Å; T329-V333 PolarHBondContact O-N 3.19Å; R331-V333 PolarHBondContact O-N 3.3Å; V333-E335 PolarHBondContact O-N 3.47Å; V333-Y336 PolarHBondContact O-N 3.31Å; V333-L337 HydrophobicContact CG1-CD1 3.86Å; V333-L337 HydrophobicContact CG1-CG 4.3Å; V333-L337 WeakPolarHBondContact O-CB 3.49Å; V333-L337 VanDerWaalsContact O-CG 3.29Å; V333-L337 WeakPolarHBondContact O-CG 3.44Å; V333-L337 PolarHBondContact O-N 3.47Å; V333-A395 HydrophobicContact CG1-CB 4.15Å; V333-A395 HydrophobicContact CG2-CB 4.08Å; V333-M398 HydrophobicContact CB-CB 4.32Å; V333-M398 HydrophobicContact CB-CG 4.31Å; V333-M398 HydrophobicContact CG1-CB 3.76Å; V333-M398 HydrophobicContact CG1-CG 4.28Å; V333-A429 HydrophobicContact CG1-CB 4.14Å; V333-L430 HydrophobicContact CG2-CD1 4.22Å; V333-L433 HydrophobicContact CB-CD1 4.33Å; V333-L433 HydrophobicContact CG2-CD1 3.7Å
334	L	95.4	Very high	94.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.8	-41.6	-176.9	-168.2	78.5	0	0	0	111.4	P309 Y311 S330 R331 L337 Q338 Y345 V350 M398 Q401 F402	P309-L334 HydrophobicContact CG-CD2 3.55Å; Y311-L334 HydrophobicContact CE1-CB 4.32Å; Y311-L334 HydrophobicContact CE1-CD2 3.81Å; Y311-L334 WeakPolarHBondContact OH-CD2 3.37Å; S330-L334 WeakPolarHBondContact O-CB 3.31Å; S330-L334 PolarHBondContact O-N 2.96Å; R331-L334 PolarHBondContact O-N 3.29Å; L334-L337 PolarHBondContact O-N 3.25Å; L334-Q338 WeakPolarHBondContact O-CG 3.46Å; L334-Q338 PolarHBondContact O-N 2.85Å; L334-Y345 HydrophobicContact CD1-CD2 4.23Å; L334-Y345 HydrophobicContact CD2-CD1 4.39Å; L334-Y345 HydrophobicContact CD2-CD2 4.25Å; L334-Y345 HydrophobicContact CD2-CG 4.18Å; L334-V350 HydrophobicContact CD2-CG2 3.91Å; L334-M398 HydrophobicContact CB-CG 4.35Å; L334-M398 HydrophobicContact CB-SD 4.05Å; L334-M398 HydrophobicContact CD1-CB 4.25Å; L334-M398 HydrophobicContact CD1-SD 4.05Å; L334-M398 HydrophobicContact CG-SD 4.47Å; L334-Q401 HydrophobicContact CD1-CB 4.15Å; L334-Q401 HydrophobicContact CD1-CG 4.27Å; L334-F402 HydrophobicContact CD1-CE2 3.69Å; L334-F402 HydrophobicContact CD1-CZ 4.39Å
335	E	93.6	Very high	94.3	Very high	12 Å²	12	24.4 Å²	24.4	6%	0.056	13%	0.125	C	C	.	.	H	α-helix	trans	-68.6	-38.2	177.1	-70	-177	-164	0	0	112.7	S214 Y217 R331 V333 Q338 T339	S214-E335 WeakPolarHBondContact CB-OE2 3.46Å; S214-E335 PolarHBondContact N-OE1 3.27Å; S214-E335 PolarHBondContact OG-OE2 3.39Å; Y217-E335 HydrophobicContact CD2-CG 4.15Å; Y217-E335 VanDerWaalsContact CD2-OE2 3.29Å; Y217-E335 WeakPolarHBondContact CD2-OE2 3.43Å; Y217-E335 HydrophobicContact CE2-CB 3.86Å; Y217-E335 HydrophobicContact CE2-CG 3.89Å; Y217-E335 WeakPolarHBondContact CE2-OE2 3.23Å; Y217-E335 PolarHBondContact OH-O 3.29Å; R331-E335 HydrophobicContact CG-CG 4.42Å; R331-E335 VanDerWaalsContact CG-OE1 3.24Å; R331-E335 WeakPolarHBondContact CG-OE1 3.3Å; R331-E335 WeakPolarHBondContact O-CB 3.48Å; R331-E335 WeakPolarHBondContact O-CG 3.11Å; R331-E335 PolarHBondContact O-N 3.04Å; V333-E335 PolarHBondContact O-N 3.47Å; E335-Q338 PolarHBondContact O-N 3.2Å; E335-T339 PolarHBondContact O-N 3.16Å; E335-T339 PolarHBondContact O-OG1 2.97Å
336	Y	94.5	Very high	94.3	Very high	55 Å²	55	23.6 Å²	23.6	22%	0.216	12%	0.124	C	C	.	.	H	α-helix	trans	-58.5	-49.6	169.7	173.8	-97.4	0	0	0	110.9	D332 V333 Q338 T339 W340 A429 P432	D332-Y336 VanDerWaalsContact O-CB 3.25Å; D332-Y336 WeakPolarHBondContact O-CB 3.45Å; D332-Y336 PolarHBondContact O-N 2.9Å; V333-Y336 PolarHBondContact O-N 3.31Å; Y336-Q338 VanDerWaalsContact C-N 3.35Å; Y336-Q338 PolarHBondContact O-N 2.96Å; Y336-T339 PolarHBondContact O-N 2.81Å; Y336-T339 VanDerWaalsContact O-N 3.15Å; Y336-W340 HydrophobicContact CD1-CB 4.47Å; Y336-W340 HydrophobicContact CE1-CB 4.04Å; Y336-W340 HydrophobicContact CE1-CG 4.16Å; Y336-W340 WeakPolarHBondContact O-CB 3.43Å; Y336-W340 PolarHBondContact O-N 3.42Å; Y336-A429 HydrophobicContact CD1-CB 4.02Å; Y336-A429 HydrophobicContact CE1-CB 4.13Å; Y336-P432 HydrophobicContact CE2-CB 4.25Å; Y336-P432 HydrophobicContact CE2-CG 4.23Å
337	L	95.3	Very high	94.1	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-61	-38.9	-179.9	-76.5	171.6	0	0	0	113.1	V333 L334 T339 W340 L341 M398 V399 F402 A429	V333-L337 HydrophobicContact CG1-CD1 3.86Å; V333-L337 HydrophobicContact CG1-CG 4.3Å; V333-L337 WeakPolarHBondContact O-CB 3.49Å; V333-L337 VanDerWaalsContact O-CG 3.29Å; V333-L337 WeakPolarHBondContact O-CG 3.44Å; V333-L337 PolarHBondContact O-N 3.47Å; L334-L337 PolarHBondContact O-N 3.25Å; L337-T339 VanDerWaalsContact C-N 3.3Å; L337-T339 PolarHBondContact O-N 2.86Å; L337-W340 HydrophobicContact CD2-CE3 4.4Å; L337-L341 HydrophobicContact CB-CD1 4.44Å; L337-L341 HydrophobicContact CD2-CD1 4.31Å; L337-L341 VanDerWaalsContact O-CB 3.23Å; L337-L341 WeakPolarHBondContact O-CB 3.46Å; L337-L341 WeakPolarHBondContact O-CG 3.06Å; L337-L341 PolarHBondContact O-N 3.29Å; L337-M398 HydrophobicContact CD1-CB 4.32Å; L337-V399 HydrophobicContact CD1-CB 4.46Å; L337-V399 HydrophobicContact CD1-CG2 3.79Å; L337-V399 HydrophobicContact CD2-CG2 4.39Å; L337-F402 HydrophobicContact CB-CD2 4.37Å; L337-F402 HydrophobicContact CB-CE2 3.67Å; L337-F402 HydrophobicContact CB-CZ 4.07Å; L337-F402 HydrophobicContact CD1-CD2 4.21Å; L337-F402 HydrophobicContact CD1-CE2 4.05Å; L337-A429 HydrophobicContact CD2-CB 3.83Å; L337-A429 HydrophobicContact CG-CB 4.14Å
338	Q	93.5	Very high	93.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.7	-43.9	175.6	-73.7	-175	97.2	0	0	111.7	R307 L334 E335 Y336 D342 I343 Y345 F402	R307-Q338 PolarHBondContact O-OE1 3.03Å; L334-Q338 WeakPolarHBondContact O-CG 3.46Å; L334-Q338 PolarHBondContact O-N 2.85Å; E335-Q338 PolarHBondContact O-N 3.2Å; Y336-Q338 VanDerWaalsContact C-N 3.35Å; Y336-Q338 PolarHBondContact O-N 2.96Å; Q338-D342 WeakPolarHBondContact O-CA 2.92Å; Q338-D342 PolarHBondContact O-N 3.16Å; Q338-D342 VanDerWaalsContact O-N 3.08Å; Q338-I343 WeakPolarHBondContact CA-O 3.45Å; Q338-I343 WeakPolarHBondContact CG-O 3.36Å; Q338-I343 PolarHBondContact O-N 3.35Å; Q338-I343 VanDerWaalsContact O-N 3.16Å; Q338-Y345 VanDerWaalsContact OE1-CB 3.31Å; Q338-F402 HydrophobicContact CG-CE1 4.45Å; Q338-F402 HydrophobicContact CG-CZ 3.8Å
339	T	91.8	Very high	93.8	Very high	76 Å²	76	24.3 Å²	24.3	47%	0.466	13%	0.133	S	C	.	.	H	α-helix	trans	-70.5	-46.6	-179.6	-49.9	0	0	0	0	111	Y217 E335 Y336 L337 D342	Y217-T339 PolarHBondContact OH-OG1 3.34Å; E335-T339 PolarHBondContact O-N 3.16Å; E335-T339 PolarHBondContact O-OG1 2.97Å; Y336-T339 PolarHBondContact O-N 2.81Å; Y336-T339 VanDerWaalsContact O-N 3.15Å; L337-T339 VanDerWaalsContact C-N 3.3Å; L337-T339 PolarHBondContact O-N 2.86Å; T339-D342 PolarHBondContact O-N 3.47Å
340	W	94.3	Very high	93.8	Very high	16 Å²	16	23.8 Å²	23.8	6%	0.061	13%	0.129	C	C	.	.	H	α-helix	trans	-66.1	-49.9	-179.4	-173.9	75.5	0	0	0	111	Y336 L337 D342 L425 H428 E494 F497 R498 L501	Y336-W340 HydrophobicContact CD1-CB 4.47Å; Y336-W340 HydrophobicContact CE1-CB 4.04Å; Y336-W340 HydrophobicContact CE1-CG 4.16Å; Y336-W340 WeakPolarHBondContact O-CB 3.43Å; Y336-W340 PolarHBondContact O-N 3.42Å; L337-W340 HydrophobicContact CD2-CE3 4.4Å; W340-D342 VanDerWaalsContact C-N 3.27Å; W340-D342 PolarHBondContact O-N 3.45Å; W340-L425 HydrophobicContact CH2-CD2 3.85Å; W340-L425 HydrophobicContact CZ3-CD2 3.89Å; W340-H428 AromaticContact CE2-CE1 3.62Å; W340-H428 AromaticContact CH2-CE1 3.97Å; W340-H428 AromaticContact CH2-ND1 3.9Å; W340-H428 AromaticContact CZ2-CE1 3.32Å; W340-H428 WeakPolarHBondContact CZ2-CE1 2.9Å; W340-H428 AromaticContact CZ2-ND1 3.71Å; W340-H428 AromaticContact NE1-CE1 3.87Å; W340-E494 PolarHBondContact NE1-OE1 3.42Å; W340-F497 HydrophobicContact CH2-CD1 4.05Å; W340-F497 HydrophobicContact CH2-CE1 4.07Å; W340-F497 HydrophobicContact CZ2-CD1 4.3Å; W340-R498 HydrophobicContact CD2-CG 4.17Å; W340-R498 HydrophobicContact CG-CG 4.32Å; W340-R498 HydrophobicContact CZ2-CB 3.97Å; W340-R498 HydrophobicContact CZ2-CG 4.36Å; W340-R498 WeakPolarHBondContact O-CD 3.36Å; W340-R498 WeakPolarHBondContact O-CG 3.48Å; W340-R498 PolarHBondContact O-NE 3.34Å; W340-L501 HydrophobicContact CH2-CD1 3.85Å; W340-L501 HydrophobicContact CZ3-CD1 3.98Å
341	L	94.7	Very high	93.8	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.016	13%	0.132	C	C	.	.	H	α-helix	trans	-74	-15.2	179.7	-65.1	168.1	0	0	0	113.9	L337 I343 F402 F403 L501 G502 L505	L337-L341 HydrophobicContact CB-CD1 4.44Å; L337-L341 HydrophobicContact CD2-CD1 4.31Å; L337-L341 VanDerWaalsContact O-CB 3.23Å; L337-L341 WeakPolarHBondContact O-CB 3.46Å; L337-L341 WeakPolarHBondContact O-CG 3.06Å; L337-L341 PolarHBondContact O-N 3.29Å; L341-I343 VanDerWaalsContact C-N 3.3Å; L341-I343 HydrophobicContact CB-CB 4.23Å; L341-I343 HydrophobicContact CB-CG1 3.88Å; L341-F402 HydrophobicContact CD1-CB 4.33Å; L341-F402 HydrophobicContact CD1-CD1 3.84Å; L341-F402 HydrophobicContact CD1-CD2 4.33Å; L341-F402 HydrophobicContact CD1-CE1 4.2Å; L341-F402 HydrophobicContact CD1-CG 3.92Å; L341-F403 HydrophobicContact CD1-CE2 4.1Å; L341-F403 HydrophobicContact CD2-CE2 4.43Å; L341-F403 HydrophobicContact CD2-CZ 4.32Å; L341-L501 HydrophobicContact CD2-CB 3.75Å; L341-L501 HydrophobicContact CD2-CD1 4.37Å; L341-G502 VanDerWaalsContact O-CA 3.32Å; L341-G502 WeakPolarHBondContact O-CA 3.36Å; L341-L505 HydrophobicContact CD1-CD1 3.82Å; L341-L505 HydrophobicContact CD2-CD1 4.38Å; L341-L505 HydrophobicContact CG-CD1 4.48Å
342	D	92.9	Very high	93.9	Very high	67 Å²	67	22.2 Å²	22.2	36%	0.358	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	48	-167.6	-177.7	48.2	0	0	0	111.6	Q338 T339 W340 K506	Q338-D342 WeakPolarHBondContact O-CA 2.92Å; Q338-D342 PolarHBondContact O-N 3.16Å; Q338-D342 VanDerWaalsContact O-N 3.08Å; T339-D342 PolarHBondContact O-N 3.47Å; W340-D342 VanDerWaalsContact C-N 3.27Å; W340-D342 PolarHBondContact O-N 3.45Å; D342-K506 WeakPolarHBondContact O-CE 3.15Å; D342-K506 PolarHBondContact O-NZ 2.95Å; D342-K506 IonicContact OD2-NZ 3.28Å; D342-K506 PolarHBondContact OD2-NZ 3.4Å
343	I	92.8	Very high	94	Very high	6 Å²	6	20.3 Å²	20.3	3%	0.031	11%	0.114	C	C	.	.			trans	-134.3	119.1	180	-56.6	-65.9	0	0	0	109.4	Q338 L341 F402 I406 G502 L505 K506	Q338-I343 WeakPolarHBondContact CA-O 3.45Å; Q338-I343 WeakPolarHBondContact CG-O 3.36Å; Q338-I343 PolarHBondContact O-N 3.35Å; Q338-I343 VanDerWaalsContact O-N 3.16Å; L341-I343 VanDerWaalsContact C-N 3.3Å; L341-I343 HydrophobicContact CB-CB 4.23Å; L341-I343 HydrophobicContact CB-CG1 3.88Å; I343-F402 HydrophobicContact CB-CD1 4.28Å; I343-F402 HydrophobicContact CB-CE1 4.01Å; I343-F402 HydrophobicContact CG2-CD1 4.04Å; I343-F402 HydrophobicContact CG2-CE1 3.95Å; I343-I406 HydrophobicContact CG2-CD1 3.78Å; I343-G502 WeakPolarHBondContact CD1-O 3.49Å; I343-L505 HydrophobicContact CD1-CB 4Å; I343-L505 HydrophobicContact CG1-CB 4.05Å; I343-L505 HydrophobicContact CG1-CD1 4Å; I343-K506 HydrophobicContact CD1-CD 4.03Å; I343-K506 VanDerWaalsContact CD1-CE 3.47Å; I343-K506 HydrophobicContact CD1-CG 3.4Å
344	S	90.9	Very high	93.9	Very high	60 Å²	60	20.3 Å²	20.3	42%	0.42	11%	0.114	S	C	.	.			trans	-71.2	135.7	172.1	-49.1	0	0	0	0	111.6
345	Y	92.8	Very high	93.7	Very high	5 Å²	5	20.3 Å²	20.3	2%	0.02	11%	0.114	C	C	.	.			trans	-61.3	132	171.9	-175.6	-110.8	0	0	0	109.8	P309 L334 Q338 L347 V350 L366 G367 Q401	P309-Y345 HydrophobicContact CB-CD1 3.81Å; P309-Y345 HydrophobicContact CB-CE1 3.88Å; P309-Y345 HydrophobicContact CG-CD1 3.64Å; P309-Y345 HydrophobicContact CG-CE1 3.99Å; P309-Y345 HydrophobicContact CG-CG 4.43Å; L334-Y345 HydrophobicContact CD1-CD2 4.23Å; L334-Y345 HydrophobicContact CD2-CD1 4.39Å; L334-Y345 HydrophobicContact CD2-CD2 4.25Å; L334-Y345 HydrophobicContact CD2-CG 4.18Å; Q338-Y345 VanDerWaalsContact OE1-CB 3.31Å; Y345-L347 HydrophobicContact CD1-CB 4.36Å; Y345-L347 WeakPolarHBondContact CD1-O 3.32Å; Y345-L347 HydrophobicContact CE1-CB 3.61Å; Y345-L347 HydrophobicContact CE1-CG 4.47Å; Y345-L347 WeakPolarHBondContact CE1-O 3.45Å; Y345-L347 PolarHBondContact O-N 3.29Å; Y345-V350 HydrophobicContact CD1-CG2 4.49Å; Y345-V350 HydrophobicContact CE1-CG2 3.61Å; Y345-V350 HydrophobicContact CE2-CG2 4.47Å; Y345-L366 HydrophobicContact CE2-CD1 3.91Å; Y345-G367 VanDerWaalsContact OH-CA 3.3Å; Y345-G367 WeakPolarHBondContact OH-CA 3.2Å; Y345-G367 PolarHBondContact OH-N 2.95Å; Y345-Q401 HydrophobicContact CD2-CB 4.48Å; Y345-Q401 HydrophobicContact CE2-CB 3.89Å; Y345-Q401 HydrophobicContact CE2-CG 4.3Å; Y345-Q401 PolarHBondContact OH-OE1 3.29Å
346	P	91.7	Very high	93.4	Very high	27 Å²	27	21.1 Å²	21.1	18%	0.175	12%	0.12	C	C	.	.	S	Bend	trans	-78.6	-18	-168.1	29.6	-37.8	0	0	0	115.3	P192 L366 I406 F510	P192-P346 HydrophobicContact CG-CB 4.46Å; P346-L366 HydrophobicContact CG-CD1 4.03Å; P346-L366 HydrophobicContact CG-CD2 4.12Å; P346-I406 HydrophobicContact CG-CD1 4.48Å; P346-I406 HydrophobicContact CG-CG1 4.08Å; P346-F510 HydrophobicContact CB-CE1 4.06Å; P346-F510 HydrophobicContact CB-CZ 3.61Å; P346-F510 HydrophobicContact CG-CE1 4.2Å; P346-F510 HydrophobicContact CG-CZ 4.25Å
347	L	92.2	Very high	93.1	Very high	20 Å²	20	21.2 Å²	21.2	11%	0.105	13%	0.129	C	C	.	.	S	Bend	trans	-109.7	162	-176.2	-57.2	179.7	0	0	0	111.6	P192 Y345 K349 L366	P192-L347 HydrophobicContact CG-CD2 3.93Å; Y345-L347 HydrophobicContact CD1-CB 4.36Å; Y345-L347 WeakPolarHBondContact CD1-O 3.32Å; Y345-L347 HydrophobicContact CE1-CB 3.61Å; Y345-L347 HydrophobicContact CE1-CG 4.47Å; Y345-L347 WeakPolarHBondContact CE1-O 3.45Å; Y345-L347 PolarHBondContact O-N 3.29Å; L347-K349 VanDerWaalsContact C-N 3.33Å; L347-L366 HydrophobicContact CD1-CD2 4.25Å; L347-L366 HydrophobicContact CD1-CG 3.84Å; L347-L366 HydrophobicContact CG-CD2 4.47Å; L347-L366 HydrophobicContact CG-CG 4.4Å
348	T	90.1	Very high	92.8	Very high	64 Å²	64	21.2 Å²	21.2	39%	0.393	13%	0.129	S	C	.	.	S	Bend	trans	-87.2	-3.8	178.3	54.4	0	0	0	0	113.3	P309 S310	P309-T348 CarbonylContact C-O 3.4Å; P309-T348 VanDerWaalsContact CA-O 3.24Å; P309-T348 WeakPolarHBondContact CA-O 3.23Å; S310-T348 PolarHBondContact N-O 3.04Å; S310-T348 PolarHBondContact OG-O 3.31Å
349	K	92.9	Very high	92.2	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.017	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	159.3	-179.1	67.5	82	167.3	-170.8	0	112.6	S165 N166 S167 I168 S310 L347 D351 G367	S165-K349 PolarHBondContact O-NZ 2.83Å; N166-K349 WeakPolarHBondContact O-CE 3.23Å; N166-K349 PolarHBondContact O-NZ 3Å; S167-K349 WeakPolarHBondContact O-CE 3.35Å; I168-K349 HydrophobicContact CG2-CB 4.19Å; I168-K349 HydrophobicContact CG2-CG 3.49Å; I168-K349 VanDerWaalsContact CG2-CG 3.49Å; S310-K349 CarbonylContact O-C 3.55Å; S310-K349 VanDerWaalsContact O-CA 3.23Å; S310-K349 WeakPolarHBondContact O-CA 3.27Å; S310-K349 WeakPolarHBondContact OG-CB 3.44Å; L347-K349 VanDerWaalsContact C-N 3.33Å; K349-D351 HydrophobicContact CD-CB 4.37Å; K349-D351 WeakPolarHBondContact CD-OD2 3.36Å; K349-D351 WeakPolarHBondContact CE-OD2 3.27Å; K349-D351 VanDerWaalsContact NZ-CG 3.34Å; K349-D351 IonicContact NZ-OD2 2.7Å; K349-D351 PolarHBondContact NZ-OD2 2.92Å; K349-G367 WeakPolarHBondContact CD-O 3.33Å; K349-G367 PolarHBondContact NZ-O 2.91Å
350	V	95.9	Very high	91.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	117.1	162.5	-175.8	0	0	0	0	107.2	P309 S310 Y311 T312 L334 Y345 F352 V369 M398	P309-V350 HydrophobicContact CB-CG2 4.06Å; P309-V350 HydrophobicContact CG-CG2 3.94Å; S310-V350 PolarHBondContact O-N 2.92Å; Y311-V350 WeakPolarHBondContact CA-O 3.41Å; Y311-V350 HydrophobicContact CD1-CB 4.21Å; Y311-V350 HydrophobicContact CE1-CG2 4.46Å; T312-V350 PolarHBondContact N-O 3.47Å; T312-V350 VanDerWaalsContact N-O 3.11Å; L334-V350 HydrophobicContact CD2-CG2 3.91Å; Y345-V350 HydrophobicContact CD1-CG2 4.49Å; Y345-V350 HydrophobicContact CE1-CG2 3.61Å; Y345-V350 HydrophobicContact CE2-CG2 4.47Å; V350-F352 HydrophobicContact CB-CE2 4.42Å; V350-F352 HydrophobicContact CG1-CE2 3.82Å; V350-F352 HydrophobicContact CG1-CZ 3.82Å; V350-V369 HydrophobicContact CG1-CG2 4.26Å; V350-M398 HydrophobicContact CG1-CE 4.42Å
351	D	97.3	Very high	91.5	Very high	11 Å²	11	30.4 Å²	30.4	6%	0.059	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	147.2	177.3	-67.4	-22.1	0	0	0	110.8	T312 Y314 K349 G367 L368 V369	T312-D351 WeakPolarHBondContact CB-OD1 3.33Å; T312-D351 CarbonylContact O-C 3.59Å; T312-D351 VanDerWaalsContact O-CA 3.27Å; T312-D351 WeakPolarHBondContact O-CA 3.44Å; Y314-D351 HydrophobicContact CD2-CB 4.29Å; Y314-D351 HydrophobicContact CE2-CB 4.02Å; K349-D351 HydrophobicContact CD-CB 4.37Å; K349-D351 WeakPolarHBondContact CD-OD2 3.36Å; K349-D351 WeakPolarHBondContact CE-OD2 3.27Å; K349-D351 VanDerWaalsContact NZ-CG 3.34Å; K349-D351 IonicContact NZ-OD2 2.7Å; K349-D351 PolarHBondContact NZ-OD2 2.92Å; D351-G367 PolarHBondContact N-O 3.48Å; D351-L368 HydrophobicContact CB-CD1 3.58Å; D351-L368 CarbonylContact O-C 3.57Å; D351-L368 WeakPolarHBondContact O-CA 3.49Å; D351-V369 PolarHBondContact O-N 2.68Å
352	F	97.6	Very high	91.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.7	174.7	-61.3	-94.5	0	0	0	109	Y311 T312 F313 Y314 I326 L327 S330 V350 V369 L371 M398	Y311-F352 HydrophobicContact CD1-CE2 4.39Å; T312-F352 PolarHBondContact O-N 2.83Å; F313-F352 CarbonylContact C-O 3.4Å; F313-F352 HydrophobicContact CD2-CB 3.37Å; F313-F352 HydrophobicContact CD2-CG 4.1Å; F313-F352 HydrophobicContact CE2-CB 3.74Å; F313-F352 HydrophobicContact CG-CB 4.16Å; Y314-F352 PolarHBondContact N-O 2.89Å; I326-F352 HydrophobicContact CG2-CD1 3.66Å; I326-F352 HydrophobicContact CG2-CE1 3.86Å; I326-F352 HydrophobicContact CG2-CG 4.08Å; I326-F352 HydrophobicContact CG2-CZ 4.45Å; L327-F352 HydrophobicContact CD2-CD2 4.19Å; L327-F352 HydrophobicContact CD2-CE2 4.46Å; S330-F352 VanDerWaalsContact CB-CZ 3.45Å; S330-F352 WeakPolarHBondContact OG-CE1 3.47Å; S330-F352 WeakPolarHBondContact OG-CZ 3.42Å; V350-F352 HydrophobicContact CB-CE2 4.42Å; V350-F352 HydrophobicContact CG1-CE2 3.82Å; V350-F352 HydrophobicContact CG1-CZ 3.82Å; F352-V369 CarbonylContact C-O 3.48Å; F352-V369 WeakPolarHBondContact CA-O 3.33Å; F352-V369 HydrophobicContact CD1-CB 3.71Å; F352-V369 HydrophobicContact CD1-CG1 3.91Å; F352-V369 HydrophobicContact CD1-CG2 4.32Å; F352-V369 HydrophobicContact CE1-CB 3.9Å; F352-V369 HydrophobicContact CE1-CG1 4.07Å; F352-V369 HydrophobicContact CE1-CG2 4.01Å; F352-V369 HydrophobicContact CG-CB 4.48Å; F352-L371 HydrophobicContact CB-CD2 4.08Å; F352-L371 HydrophobicContact CD1-CD2 4.28Å; F352-M398 HydrophobicContact CE1-CE 3.77Å; F352-M398 HydrophobicContact CZ-CE 3.64Å; F352-M398 HydrophobicContact CZ-SD 4.4Å
353	V	96.6	Very high	91.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	124.5	-180	-174	0	0	0	0	110	L164 V202 F206 Y314 L355 L368 V369 T370 L371	L164-V353 HydrophobicContact CD1-CG2 3.68Å; V202-V353 HydrophobicContact CG1-CG1 4.36Å; V202-V353 HydrophobicContact CG2-CG1 4.43Å; F206-V353 HydrophobicContact CD2-CG1 4.01Å; F206-V353 HydrophobicContact CE2-CG1 3.77Å; Y314-V353 WeakPolarHBondContact O-CA 3.43Å; V353-L355 HydrophobicContact CG1-CD2 3.76Å; V353-L355 HydrophobicContact CG1-CG 4.26Å; V353-L368 HydrophobicContact CG2-CD1 3.69Å; V353-V369 PolarHBondContact N-O 2.93Å; V353-T370 HydrophobicContact CB-CG2 4.44Å; V353-T370 CarbonylContact O-C 3.58Å; V353-T370 WeakPolarHBondContact O-CA 3.36Å; V353-L371 PolarHBondContact O-N 2.76Å
354	A	94.5	Very high	91.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	111.8	177	0	0	0	0	0	111.2	F206 F313 Y314 A315 L371 T373 L376	F206-A354 VanDerWaalsContact CE2-O 3.23Å; F206-A354 WeakPolarHBondContact CE2-O 3.34Å; F206-A354 WeakPolarHBondContact CZ-O 3.43Å; F313-A354 HydrophobicContact CE1-CB 4.21Å; F313-A354 HydrophobicContact CZ-CB 4.13Å; Y314-A354 PolarHBondContact O-N 3.33Å; A315-A354 HydrophobicContact CB-CB 3.88Å; A354-L371 CarbonylContact C-O 3.57Å; A354-L371 WeakPolarHBondContact CA-O 3.33Å; A354-L371 HydrophobicContact CB-CD1 4.43Å; A354-T373 HydrophobicContact CB-CG2 4.05Å; A354-L376 HydrophobicContact CB-CD1 3.89Å
355	L	92.8	Very high	91.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.3	-177.6	-60.3	179.8	0	0	0	110.7	L125 A127 V129 V353 L358 T370 L371 K372 T373	L125-L355 HydrophobicContact CD1-CD2 3.81Å; A127-L355 HydrophobicContact CB-CD1 3.97Å; A127-L355 HydrophobicContact CB-CD2 3.95Å; V129-L355 HydrophobicContact CG2-CD1 4.31Å; V353-L355 HydrophobicContact CG1-CD2 3.76Å; V353-L355 HydrophobicContact CG1-CG 4.26Å; L355-L358 HydrophobicContact CB-CB 4.25Å; L355-T370 HydrophobicContact CD1-CG2 3.76Å; L355-L371 PolarHBondContact N-O 2.99Å; L355-K372 WeakPolarHBondContact O-CA 3.41Å; L355-T373 PolarHBondContact O-N 2.67Å; L355-T373 VanDerWaalsContact O-N 3.15Å
356	P	87.6	Confident	91.3	Very high	28 Å²	28	28.9 Å²	28.9	18%	0.182	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-47.7	-178.4	-24.1	31.4	0	0	0	114.6	D113 Q114 L358 T373	D113-P356 WeakPolarHBondContact OD2-CD 3.21Å; Q114-P356 WeakPolarHBondContact O-CG 3.26Å; P356-L358 VanDerWaalsContact C-N 3.31Å; P356-L358 PolarHBondContact O-N 2.88Å; P356-T373 HydrophobicContact CB-CG2 4.42Å; P356-T373 HydrophobicContact CG-CG2 4.07Å
357	S	87.9	Confident	91.5	Very high	58 Å²	58	27.6 Å²	27.6	41%	0.406	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	8.4	-169.6	-58.8	0	0	0	0	114	P107 D113 D359	P107-S357 WeakPolarHBondContact CB-O 3.33Å; P107-S357 WeakPolarHBondContact CG-O 3.29Å; D113-S357 VanDerWaalsContact OD1-CB 3.23Å; D113-S357 WeakPolarHBondContact OD1-CB 3.46Å; D113-S357 PolarHBondContact OD1-N 3.2Å; D113-S357 PolarHBondContact OD1-OG 3.03Å; D113-S357 PolarHBondContact OD2-N 3.43Å; S357-D359 PolarHBondContact O-N 3.34Å
358	L	88.8	Confident	91.7	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.145	C	C	.	.			trans	-62.3	135.6	-178	-164	64.6	0	0	0	111.5	V129 L355 P356 R360 I363 K372	V129-L358 HydrophobicContact CG1-CD1 4.2Å; V129-L358 HydrophobicContact CG2-CD1 3.58Å; L355-L358 HydrophobicContact CB-CB 4.25Å; P356-L358 VanDerWaalsContact C-N 3.31Å; P356-L358 PolarHBondContact O-N 2.88Å; L358-R360 WeakPolarHBondContact CD2-O 3.45Å; L358-R360 VanDerWaalsContact CG-O 3.27Å; L358-R360 WeakPolarHBondContact CG-O 3.46Å; L358-I363 HydrophobicContact CD1-CD1 3.84Å; L358-K372 HydrophobicContact CB-CB 4.1Å; L358-K372 HydrophobicContact CB-CG 4.25Å; L358-K372 WeakPolarHBondContact O-CD 3.47Å; L358-K372 WeakPolarHBondContact O-CE 3.37Å
359	D	80.9	Confident	92	Very high	77 Å²	77	23.7 Å²	23.7	41%	0.412	13%	0.126	S	C	.	.	S	Bend	trans	-84.1	-23	-178.8	66	-20.7	0	0	0	113.1	R131 S357	R131-D359 IonicContact CZ-OD2 3.94Å; R131-D359 IonicContact NE-OD2 3.42Å; R131-D359 IonicContact NH2-OD2 3.38Å; R131-D359 PolarHBondContact NH2-OD2 3.01Å; S357-D359 PolarHBondContact O-N 3.34Å
360	R	83.3	Confident	92.1	Very high	121 Å²	121	23.9 Å²	23.9	46%	0.457	13%	0.127	S	C	.	.	S	Bend	trans	-109.5	153	177.4	-64.1	177.6	-175.4	-152.9	-1.4	110.6	L358 M362 I363	L358-R360 WeakPolarHBondContact CD2-O 3.45Å; L358-R360 VanDerWaalsContact CG-O 3.27Å; L358-R360 WeakPolarHBondContact CG-O 3.46Å; R360-M362 VanDerWaalsContact C-N 3.32Å; R360-M362 PolarHBondContact O-N 3.23Å; R360-I363 HydrophobicContact CB-CG1 4.26Å
361	N	86.9	Confident	92	Very high	87 Å²	87	23.9 Å²	23.9	47%	0.465	13%	0.127	S	C	.	.	S	Bend	trans	-59.7	-43.6	176.4	-74.4	-16.6	0	0	0	112	L371 K372 F375	N361-L371 CarbonylContact O-C 3.26Å; N361-L371 WeakPolarHBondContact O-CA 3.41Å; N361-L371 WeakPolarHBondContact O-CB 3.45Å; N361-K372 PolarHBondContact O-N 2.91Å; N361-F375 HydrophobicContact CB-CD2 3.85Å; N361-F375 HydrophobicContact CB-CE2 4.23Å
362	M	91	Very high	91.7	Very high	29 Å²	29	25.4 Å²	25.4	14%	0.143	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	145.1	179.1	-62.8	-179	69.6	0	0	111.3	R360 V369 T370 L371 F375 R393 I394 A397	R360-M362 VanDerWaalsContact C-N 3.32Å; R360-M362 PolarHBondContact O-N 3.23Å; M362-V369 HydrophobicContact CE-CG1 3.51Å; M362-T370 CarbonylContact C-O 3.55Å; M362-T370 VanDerWaalsContact CA-O 3.28Å; M362-T370 WeakPolarHBondContact CA-O 3.35Å; M362-L371 HydrophobicContact CG-CB 3.77Å; M362-F375 HydrophobicContact SD-CE1 4.02Å; M362-F375 HydrophobicContact SD-CZ 3.95Å; M362-R393 HydrophobicContact SD-CB 4.22Å; M362-I394 HydrophobicContact CE-CG1 4.44Å; M362-I394 HydrophobicContact SD-CG1 4.12Å; M362-A397 HydrophobicContact CE-CB 3.55Å; M362-A397 HydrophobicContact SD-CB 4.39Å
363	I	91	Very high	91.3	Very high	35 Å²	35	26.8 Å²	26.8	18%	0.179	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	123.3	168	-57.4	179.5	0	0	0	107.6	V129 L358 R360 V369 T370	V129-I363 HydrophobicContact CG1-CD1 3.57Å; L358-I363 HydrophobicContact CD1-CD1 3.84Å; R360-I363 HydrophobicContact CB-CG1 4.26Å; I363-V369 WeakPolarHBondContact O-CA 3.41Å; I363-T370 PolarHBondContact N-O 3.46Å; I363-T370 PolarHBondContact O-N 2.99Å
364	S	92.5	Very high	90.7	Very high	25 Å²	25	27.7 Å²	27.7	18%	0.175	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	98.2	-173	-172.7	0	0	0	0	110.6	A397 Q401	S364-A397 PolarHBondContact OG-O 3.46Å; S364-Q401 PolarHBondContact OG-NE2 3.45Å
365	S	91.6	Very high	90.4	Very high	17 Å²	17	28.5 Å²	28.5	12%	0.119	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	153.6	167.5	-69.1	0	0	0	0	109.8	A198 G367 L368 Q401	A198-S365 WeakPolarHBondContact O-CB 3.22Å; A198-S365 PolarHBondContact O-OG 3.34Å; S365-G367 PolarHBondContact O-N 3.32Å; S365-L368 CarbonylContact C-O 3.58Å; S365-L368 WeakPolarHBondContact CA-O 3.24Å; S365-L368 WeakPolarHBondContact CB-O 3.43Å; S365-L368 PolarHBondContact N-O 3.16Å; S365-L368 VanDerWaalsContact N-O 3.12Å; S365-L368 CarbonylContact O-C 3.31Å; S365-L368 PolarHBondContact O-N 3.09Å; S365-L368 VanDerWaalsContact O-N 3.12Å; S365-Q401 PolarHBondContact O-NE2 2.89Å
366	L	94.6	Very high	90.1	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	117.1	-178	-173.5	71.4	0	0	0	109.9	N166 L194 Y345 P346 L347 L368 Q401	N166-L366 WeakPolarHBondContact CB-O 3.37Å; N166-L366 PolarHBondContact ND2-O 2.95Å; L194-L366 HydrophobicContact CD2-CB 3.92Å; L194-L366 HydrophobicContact CD2-CD2 3.8Å; Y345-L366 HydrophobicContact CE2-CD1 3.91Å; P346-L366 HydrophobicContact CG-CD1 4.03Å; P346-L366 HydrophobicContact CG-CD2 4.12Å; L347-L366 HydrophobicContact CD1-CD2 4.25Å; L347-L366 HydrophobicContact CD1-CG 3.84Å; L347-L366 HydrophobicContact CG-CD2 4.47Å; L347-L366 HydrophobicContact CG-CG 4.4Å; L366-L368 VanDerWaalsContact C-N 3.29Å; L366-L368 PolarHBondContact O-N 3.22Å; L366-Q401 WeakPolarHBondContact CD1-O 3.49Å
367	G	94.9	Very high	89.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-9.4	178.8	0	0	0	0	0	116.1	Y345 K349 D351 S365	Y345-G367 VanDerWaalsContact OH-CA 3.3Å; Y345-G367 WeakPolarHBondContact OH-CA 3.2Å; Y345-G367 PolarHBondContact OH-N 2.95Å; K349-G367 WeakPolarHBondContact CD-O 3.33Å; K349-G367 PolarHBondContact NZ-O 2.91Å; D351-G367 PolarHBondContact N-O 3.48Å; S365-G367 PolarHBondContact O-N 3.32Å
368	L	96.3	Very high	89.5	Confident	2 Å²	2	29.2 Å²	29.2	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	114.2	178.7	-173.3	65.9	0	0	0	110.1	A200 V202 D351 V353 S365 L366	A200-L368 HydrophobicContact CB-CD2 3.76Å; V202-L368 HydrophobicContact CG2-CD2 4.48Å; D351-L368 HydrophobicContact CB-CD1 3.58Å; D351-L368 CarbonylContact O-C 3.57Å; D351-L368 WeakPolarHBondContact O-CA 3.49Å; V353-L368 HydrophobicContact CG2-CD1 3.69Å; S365-L368 CarbonylContact C-O 3.58Å; S365-L368 WeakPolarHBondContact CA-O 3.24Å; S365-L368 WeakPolarHBondContact CB-O 3.43Å; S365-L368 PolarHBondContact N-O 3.16Å; S365-L368 VanDerWaalsContact N-O 3.12Å; S365-L368 CarbonylContact O-C 3.31Å; S365-L368 PolarHBondContact O-N 3.09Å; S365-L368 VanDerWaalsContact O-N 3.12Å; L366-L368 VanDerWaalsContact C-N 3.29Å; L366-L368 PolarHBondContact O-N 3.22Å
369	V	96.8	Very high	89.2	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.9	179	-178.3	0	0	0	0	108.3	V350 D351 F352 V353 M362 I363 A397 M398	V350-V369 HydrophobicContact CG1-CG2 4.26Å; D351-V369 PolarHBondContact O-N 2.68Å; F352-V369 CarbonylContact C-O 3.48Å; F352-V369 WeakPolarHBondContact CA-O 3.33Å; F352-V369 HydrophobicContact CD1-CB 3.71Å; F352-V369 HydrophobicContact CD1-CG1 3.91Å; F352-V369 HydrophobicContact CD1-CG2 4.32Å; F352-V369 HydrophobicContact CE1-CB 3.9Å; F352-V369 HydrophobicContact CE1-CG1 4.07Å; F352-V369 HydrophobicContact CE1-CG2 4.01Å; F352-V369 HydrophobicContact CG-CB 4.48Å; V353-V369 PolarHBondContact N-O 2.93Å; M362-V369 HydrophobicContact CE-CG1 3.51Å; I363-V369 WeakPolarHBondContact O-CA 3.41Å; V369-A397 HydrophobicContact CG1-CB 4.43Å; V369-M398 HydrophobicContact CG2-CE 4.12Å
370	T	95.3	Very high	89.3	Confident	7 Å²	7	32 Å²	32	4%	0.043	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	143.4	172.1	58.5	0	0	0	0	109.3	V353 L355 M362 I363	V353-T370 HydrophobicContact CB-CG2 4.44Å; V353-T370 CarbonylContact O-C 3.58Å; V353-T370 WeakPolarHBondContact O-CA 3.36Å; L355-T370 HydrophobicContact CD1-CG2 3.76Å; M362-T370 CarbonylContact C-O 3.55Å; M362-T370 VanDerWaalsContact CA-O 3.28Å; M362-T370 WeakPolarHBondContact CA-O 3.35Å; I363-T370 PolarHBondContact N-O 3.46Å; I363-T370 PolarHBondContact O-N 2.99Å
371	L	94.1	Very high	89.3	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	154.4	178.8	65	114.2	0	0	0	111	F313 I326 F352 V353 A354 L355 N361 M362 F375 L376	F313-L371 HydrophobicContact CE2-CD1 4.4Å; F313-L371 HydrophobicContact CE2-CD2 3.61Å; F313-L371 HydrophobicContact CZ-CD1 4.13Å; F313-L371 HydrophobicContact CZ-CD2 4Å; F313-L371 HydrophobicContact CZ-CG 4.49Å; I326-L371 HydrophobicContact CD1-CD1 3.96Å; I326-L371 HydrophobicContact CD1-CD2 4.16Å; F352-L371 HydrophobicContact CB-CD2 4.08Å; F352-L371 HydrophobicContact CD1-CD2 4.28Å; V353-L371 PolarHBondContact O-N 2.76Å; A354-L371 CarbonylContact C-O 3.57Å; A354-L371 WeakPolarHBondContact CA-O 3.33Å; A354-L371 HydrophobicContact CB-CD1 4.43Å; L355-L371 PolarHBondContact N-O 2.99Å; N361-L371 CarbonylContact O-C 3.26Å; N361-L371 WeakPolarHBondContact O-CA 3.41Å; N361-L371 WeakPolarHBondContact O-CB 3.45Å; M362-L371 HydrophobicContact CG-CB 3.77Å; L371-F375 HydrophobicContact CD1-CB 4.14Å; L371-F375 HydrophobicContact CD1-CD1 4.13Å; L371-L376 HydrophobicContact CD1-CD2 4.02Å; L371-L376 HydrophobicContact CD1-CG 4.06Å
372	K	91.7	Very high	89.4	Confident	44 Å²	44	25 Å²	25	19%	0.191	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	138	-179.6	-166.1	176.5	-172.7	177.1	0	110.2	L355 L358 N361 S374 F375 S844	L355-K372 WeakPolarHBondContact O-CA 3.41Å; L358-K372 HydrophobicContact CB-CB 4.1Å; L358-K372 HydrophobicContact CB-CG 4.25Å; L358-K372 WeakPolarHBondContact O-CD 3.47Å; L358-K372 WeakPolarHBondContact O-CE 3.37Å; N361-K372 PolarHBondContact O-N 2.91Å; K372-S374 VanDerWaalsContact CD-OG 3.28Å; K372-S374 WeakPolarHBondContact CD-OG 3.42Å; K372-S374 WeakPolarHBondContact CG-OG 3.41Å; K372-S374 PolarHBondContact O-N 3.3Å; K372-S374 VanDerWaalsContact O-N 3.16Å; K372-F375 WeakPolarHBondContact O-CB 3.33Å; K372-F375 PolarHBondContact O-N 2.93Å; K372-S844 PolarHBondContact NZ-OG 3.22Å
373	T	88.3	Confident	89.4	Confident	29 Å²	29	24.3 Å²	24.3	18%	0.178	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-54.6	-37.3	178.9	51	0	0	0	0	113	L319 A354 L355 P356 F375 L376	L319-T373 HydrophobicContact CD1-CG2 3.78Å; A354-T373 HydrophobicContact CB-CG2 4.05Å; L355-T373 PolarHBondContact O-N 2.67Å; L355-T373 VanDerWaalsContact O-N 3.15Å; P356-T373 HydrophobicContact CB-CG2 4.42Å; P356-T373 HydrophobicContact CG-CG2 4.07Å; T373-F375 PolarHBondContact O-N 3.07Å; T373-F375 VanDerWaalsContact O-N 3.12Å; T373-L376 VanDerWaalsContact O-CB 3.24Å; T373-L376 WeakPolarHBondContact O-CB 3.33Å; T373-L376 PolarHBondContact O-N 3.08Å
374	S	84.2	Confident	89.5	Confident	18 Å²	18	23.1 Å²	23.1	13%	0.126	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-68	-7.2	176.5	67.6	0	0	0	0	114.8	K372 T377 S844	K372-S374 VanDerWaalsContact CD-OG 3.28Å; K372-S374 WeakPolarHBondContact CD-OG 3.42Å; K372-S374 WeakPolarHBondContact CG-OG 3.41Å; K372-S374 PolarHBondContact O-N 3.3Å; K372-S374 VanDerWaalsContact O-N 3.16Å; S374-T377 WeakPolarHBondContact O-CG2 3.37Å; S374-S844 WeakPolarHBondContact OG-CB 3.42Å
375	F	88.1	Confident	89.4	Confident	17 Å²	17	24.2 Å²	24.2	8%	0.075	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-74	-20.3	168.8	-170.2	-96.5	0	0	0	111.1	I326 N361 M362 L371 K372 T373 T377 R393 I394	I326-F375 HydrophobicContact CD1-CD1 4.09Å; I326-F375 HydrophobicContact CD1-CE1 4.25Å; I326-F375 HydrophobicContact CG1-CE1 4.43Å; N361-F375 HydrophobicContact CB-CD2 3.85Å; N361-F375 HydrophobicContact CB-CE2 4.23Å; M362-F375 HydrophobicContact SD-CE1 4.02Å; M362-F375 HydrophobicContact SD-CZ 3.95Å; L371-F375 HydrophobicContact CD1-CB 4.14Å; L371-F375 HydrophobicContact CD1-CD1 4.13Å; K372-F375 WeakPolarHBondContact O-CB 3.33Å; K372-F375 PolarHBondContact O-N 2.93Å; T373-F375 PolarHBondContact O-N 3.07Å; T373-F375 VanDerWaalsContact O-N 3.12Å; F375-T377 PolarHBondContact O-N 3.36Å; F375-R393 HydrophobicContact CE2-CB 4.13Å; F375-R393 HydrophobicContact CE2-CG 4.47Å; F375-R393 HydrophobicContact CZ-CB 4.07Å; F375-I394 HydrophobicContact CE1-CD1 4.22Å; F375-I394 HydrophobicContact CE1-CG1 4.07Å; F375-I394 HydrophobicContact CZ-CG1 4.23Å
376	L	85.6	Confident	89.3	Confident	4 Å²	4	25.7 Å²	25.7	2%	0.021	15%	0.149	C	C	.	.			trans	-82	56.2	174.9	-56.8	174.5	0	0	0	111.1	F313 L319 R322 I326 A354 L371 T373	F313-L376 HydrophobicContact CE1-CD1 3.99Å; F313-L376 HydrophobicContact CE1-CD2 4.36Å; F313-L376 HydrophobicContact CE2-CD2 4.28Å; F313-L376 HydrophobicContact CZ-CD1 3.85Å; F313-L376 HydrophobicContact CZ-CD2 3.66Å; F313-L376 HydrophobicContact CZ-CG 4.29Å; L319-L376 HydrophobicContact CB-CD1 3.92Å; L319-L376 HydrophobicContact CD1-CD1 4.3Å; R322-L376 HydrophobicContact CB-CB 4.12Å; R322-L376 WeakPolarHBondContact CD-O 3.4Å; R322-L376 PolarHBondContact NH1-O 3.03Å; I326-L376 HydrophobicContact CD1-CD2 3.36Å; A354-L376 HydrophobicContact CB-CD1 3.89Å; L371-L376 HydrophobicContact CD1-CD2 4.02Å; L371-L376 HydrophobicContact CD1-CG 4.06Å; T373-L376 VanDerWaalsContact O-CB 3.24Å; T373-L376 WeakPolarHBondContact O-CB 3.33Å; T373-L376 PolarHBondContact O-N 3.08Å
377	T	81.1	Confident	89.2	Confident	27 Å²	27	28.1 Å²	28.1	17%	0.166	16%	0.159	C	C	.	.			trans	-80.1	143.9	174.3	50	0	0	0	0	111.2	S374 F375 P379 I382 E845	S374-T377 WeakPolarHBondContact O-CG2 3.37Å; F375-T377 PolarHBondContact O-N 3.36Å; T377-P379 WeakPolarHBondContact O-CD 3.46Å; T377-I382 HydrophobicContact CG2-CG2 4.06Å; T377-E845 HydrophobicContact CG2-CG 4.24Å
378	D	81.8	Confident	89	Confident	70 Å²	70	28.2 Å²	28.2	37%	0.374	16%	0.159	S	C	.	.			trans	-60.3	127.1	168.7	-178.9	-1.4	0	0	0	109.9	S380 S381	D378-S380 PolarHBondContact O-N 3.49Å; D378-S380 PolarHBondContact OD1-N 3.02Å; D378-S380 PolarHBondContact OD1-OG 2.85Å; D378-S380 PolarHBondContact OD2-OG 2.93Å; D378-S381 PolarHBondContact O-N 3.02Å; D378-S381 PolarHBondContact O-OG 2.97Å
379	P	82.4	Confident	88.8	Confident	66 Å²	66	30.6 Å²	30.6	43%	0.429	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-26.4	173.8	-28.1	35.9	0	0	0	114.2	T377 S381 Y387	T377-P379 WeakPolarHBondContact O-CD 3.46Å; P379-S381 VanDerWaalsContact C-N 3.31Å; P379-Y387 HydrophobicContact CB-CD2 4.05Å; P379-Y387 HydrophobicContact CB-CE2 3.96Å; P379-Y387 HydrophobicContact CG-CD2 4.25Å; P379-Y387 HydrophobicContact CG-CE2 3.82Å
380	S	83.2	Confident	88.6	Confident	71 Å²	71	31.5 Å²	31.5	50%	0.497	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-18.8	177.4	84.3	0	0	0	0	114	D378 P811	D378-S380 PolarHBondContact O-N 3.49Å; D378-S380 PolarHBondContact OD1-N 3.02Å; D378-S380 PolarHBondContact OD1-OG 2.85Å; D378-S380 PolarHBondContact OD2-OG 2.93Å; S380-P811 WeakPolarHBondContact O-CG 3.41Å
381	S	84.5	Confident	88.6	Confident	48 Å²	48	31.2 Å²	31.2	34%	0.336	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-11.9	-174.1	73.8	0	0	0	0	114.4	D378 P379 P811 R814	D378-S381 PolarHBondContact O-N 3.02Å; D378-S381 PolarHBondContact O-OG 2.97Å; P379-S381 VanDerWaalsContact C-N 3.31Å; S381-P811 VanDerWaalsContact C-CG 3.43Å; S381-P811 WeakPolarHBondContact O-CG 3.36Å; S381-R814 PolarHBondContact O-NH1 2.89Å
382	I	88.7	Confident	88.6	Confident	12 Å²	12	31.5 Å²	31.5	6%	0.062	18%	0.176	C	C	.	.	S	Bend	trans	-112.4	163.1	-177.9	62.5	170.4	0	0	0	112.2	T377 Q386 Y387 P811	T377-I382 HydrophobicContact CG2-CG2 4.06Å; I382-Q386 HydrophobicContact CB-CB 4.07Å; I382-Q386 HydrophobicContact CD1-CB 4.2Å; I382-Y387 HydrophobicContact CD1-CD2 4.22Å; I382-P811 WeakPolarHBondContact O-CB 3.35Å; I382-P811 WeakPolarHBondContact O-CG 3.39Å
383	T	91.1	Very high	88.8	Confident	15 Å²	15	33.6 Å²	33.6	9%	0.092	18%	0.182	C	C	.	.			trans	-71.4	158.5	175.8	69.2	0	0	0	0	111.9	E385 Q386 Y387 P811 N812	T383-E385 PolarHBondContact O-N 2.91Å; T383-Q386 PolarHBondContact O-N 2.87Å; T383-Q386 WeakPolarHBondContact OG1-CB 3.15Å; T383-Q386 VanDerWaalsContact OG1-CG 3.26Å; T383-Q386 WeakPolarHBondContact OG1-CG 3.49Å; T383-Q386 PolarHBondContact OG1-N 3.33Å; T383-Q386 VanDerWaalsContact OG1-N 3.08Å; T383-Q386 PolarHBondContact OG1-OE1 3.01Å; T383-Y387 PolarHBondContact O-N 3.37Å; T383-P811 HydrophobicContact CG2-CB 4.2Å; T383-N812 WeakPolarHBondContact CA-OD1 3.36Å; T383-N812 WeakPolarHBondContact CB-OD1 3.48Å
384	S	92.3	Very high	89.2	Confident	11 Å²	11	32.2 Å²	32.2	8%	0.077	17%	0.174	C	C	.	.	H	α-helix	trans	-58.7	-37.3	173.4	-60.8	0	0	0	0	111.6	Y387 Q388 N812	S384-Y387 PolarHBondContact O-N 2.63Å; S384-Q388 WeakPolarHBondContact O-CG 3.19Å; S384-Q388 PolarHBondContact O-N 3.14Å; S384-Q388 VanDerWaalsContact O-N 3.15Å; S384-N812 PolarHBondContact N-OD1 3.33Å; S384-N812 PolarHBondContact OG-ND2 3.09Å; S384-N812 VanDerWaalsContact OG-ND2 3.09Å
385	E	90.9	Very high	89.8	Confident	47 Å²	47	31.4 Å²	31.4	22%	0.22	17%	0.168	C	C	.	.	H	α-helix	trans	-63.1	-46.9	175	-169.8	-168.4	-157.3	0	0	111.6	T383 Y387 Q388 F389 K446 L773	T383-E385 PolarHBondContact O-N 2.91Å; E385-Y387 VanDerWaalsContact C-N 3.3Å; E385-Y387 PolarHBondContact O-N 3.03Å; E385-Q388 PolarHBondContact O-N 3.32Å; E385-F389 HydrophobicContact CG-CD2 3.85Å; E385-F389 HydrophobicContact CG-CE2 3.59Å; E385-F389 VanDerWaalsContact O-CD2 3.26Å; E385-F389 WeakPolarHBondContact O-CD2 3.46Å; E385-F389 PolarHBondContact O-N 3.12Å; E385-K446 WeakPolarHBondContact OE1-CE 3.44Å; E385-K446 IonicContact OE1-NZ 3.94Å; E385-K446 PolarHBondContact OE1-NZ 3.16Å; E385-L773 HydrophobicContact CB-CD2 3.84Å
386	Q	89.8	Confident	90.2	Very high	48 Å²	48	31 Å²	31	22%	0.224	17%	0.167	C	C	.	.	H	α-helix	trans	-60.7	-40.1	177	-74.8	175.5	-69.1	0	0	112	I382 T383 Q388 F389 S390	I382-Q386 HydrophobicContact CB-CB 4.07Å; I382-Q386 HydrophobicContact CD1-CB 4.2Å; T383-Q386 PolarHBondContact O-N 2.87Å; T383-Q386 WeakPolarHBondContact OG1-CB 3.15Å; T383-Q386 VanDerWaalsContact OG1-CG 3.26Å; T383-Q386 WeakPolarHBondContact OG1-CG 3.49Å; T383-Q386 PolarHBondContact OG1-N 3.33Å; T383-Q386 VanDerWaalsContact OG1-N 3.08Å; T383-Q386 PolarHBondContact OG1-OE1 3.01Å; Q386-Q388 PolarHBondContact O-N 2.77Å; Q386-F389 PolarHBondContact O-N 2.83Å; Q386-S390 PolarHBondContact O-N 3.21Å; Q386-S390 PolarHBondContact O-OG 2.92Å
387	Y	91.6	Very high	90.7	Very high	54 Å²	54	31 Å²	31	21%	0.212	17%	0.167	C	C	.	.	H	α-helix	trans	-61.4	-43.9	177.5	-175.7	-106	0	0	0	111.9	F325 P379 I382 T383 S384 E385 S390 A391 W437	F325-Y387 HydrophobicContact CD1-CE2 4.49Å; F325-Y387 AromaticContact CD2-CE2 3.89Å; F325-Y387 HydrophobicContact CD2-CE2 3.89Å; F325-Y387 AromaticContact CD2-CZ 3.78Å; F325-Y387 WeakPolarHBondContact CD2-OH 3.26Å; F325-Y387 HydrophobicContact CE1-CE2 4.28Å; F325-Y387 HydrophobicContact CE2-CE1 4.17Å; F325-Y387 AromaticContact CE2-CE2 3.65Å; F325-Y387 HydrophobicContact CE2-CE2 3.65Å; F325-Y387 AromaticContact CE2-CZ 3.43Å; F325-Y387 VanDerWaalsContact CE2-CZ 3.43Å; F325-Y387 VanDerWaalsContact CE2-OH 3.25Å; F325-Y387 WeakPolarHBondContact CE2-OH 3.39Å; F325-Y387 HydrophobicContact CG-CE2 4.3Å; F325-Y387 HydrophobicContact CZ-CD2 4.35Å; F325-Y387 AromaticContact CZ-CE2 3.84Å; F325-Y387 HydrophobicContact CZ-CE2 3.84Å; P379-Y387 HydrophobicContact CB-CD2 4.05Å; P379-Y387 HydrophobicContact CB-CE2 3.96Å; P379-Y387 HydrophobicContact CG-CD2 4.25Å; P379-Y387 HydrophobicContact CG-CE2 3.82Å; I382-Y387 HydrophobicContact CD1-CD2 4.22Å; T383-Y387 PolarHBondContact O-N 3.37Å; S384-Y387 PolarHBondContact O-N 2.63Å; E385-Y387 VanDerWaalsContact C-N 3.3Å; E385-Y387 PolarHBondContact O-N 3.03Å; Y387-S390 PolarHBondContact O-N 3.12Å; Y387-A391 PolarHBondContact O-N 3.06Å; Y387-A391 VanDerWaalsContact O-N 3.09Å; Y387-W437 AromaticContact CD1-CH2 3.84Å; Y387-W437 HydrophobicContact CD1-CH2 3.84Å; Y387-W437 AromaticContact CD1-CZ2 3.94Å; Y387-W437 HydrophobicContact CD1-CZ2 3.94Å; Y387-W437 AromaticContact CE1-CH2 3.71Å; Y387-W437 HydrophobicContact CE1-CH2 3.71Å; Y387-W437 AromaticContact CE1-CZ2 3.69Å; Y387-W437 HydrophobicContact CE1-CZ2 3.69Å
388	Q	92.4	Very high	91.5	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	16%	0.159	C	C	.	.	H	α-helix	trans	-64.4	-40.5	175.2	-66.4	-171.2	-18.7	0	0	112.3	S384 E385 Q386 S390 A391 L392 W437 M442 V769	S384-Q388 WeakPolarHBondContact O-CG 3.19Å; S384-Q388 PolarHBondContact O-N 3.14Å; S384-Q388 VanDerWaalsContact O-N 3.15Å; E385-Q388 PolarHBondContact O-N 3.32Å; Q386-Q388 PolarHBondContact O-N 2.77Å; Q388-S390 VanDerWaalsContact C-N 3.33Å; Q388-S390 PolarHBondContact O-N 3.44Å; Q388-A391 WeakPolarHBondContact O-CB 3.12Å; Q388-A391 PolarHBondContact O-N 3.31Å; Q388-L392 PolarHBondContact O-N 2.72Å; Q388-W437 HydrophobicContact CB-CE3 4.12Å; Q388-W437 HydrophobicContact CB-CZ3 4.01Å; Q388-W437 HydrophobicContact CG-CD2 3.88Å; Q388-W437 HydrophobicContact CG-CE3 3.55Å; Q388-W437 HydrophobicContact CG-CH2 4.14Å; Q388-W437 HydrophobicContact CG-CZ2 4.45Å; Q388-W437 HydrophobicContact CG-CZ3 3.69Å; Q388-W437 VanDerWaalsContact NE2-CG 3.3Å; Q388-M442 HydrophobicContact CB-SD 4.44Å; Q388-V769 VanDerWaalsContact NE2-CG1 3.25Å
389	F	91.2	Very high	92.3	Very high	53 Å²	53	26.4 Å²	26.4	23%	0.232	14%	0.141	C	C	.	.	H	α-helix	trans	-62.8	-38.9	174.2	-83.5	-60.3	0	0	0	112.6	E385 Q386 L392 R393 M442 K446	E385-F389 HydrophobicContact CG-CD2 3.85Å; E385-F389 HydrophobicContact CG-CE2 3.59Å; E385-F389 VanDerWaalsContact O-CD2 3.26Å; E385-F389 WeakPolarHBondContact O-CD2 3.46Å; E385-F389 PolarHBondContact O-N 3.12Å; Q386-F389 PolarHBondContact O-N 2.83Å; F389-L392 HydrophobicContact CD1-CD2 4.41Å; F389-L392 WeakPolarHBondContact O-CB 3.46Å; F389-L392 PolarHBondContact O-N 3.3Å; F389-R393 WeakPolarHBondContact O-CG 3.45Å; F389-R393 PolarHBondContact O-N 2.97Å; F389-M442 HydrophobicContact CD1-SD 4.44Å; F389-M442 HydrophobicContact CE1-SD 4.11Å; F389-M442 HydrophobicContact CE2-SD 4.46Å; F389-M442 HydrophobicContact CZ-CG 4.42Å; F389-M442 HydrophobicContact CZ-SD 4.13Å; F389-K446 HydrophobicContact CZ-CD 4.06Å; F389-K446 HydrophobicContact CZ-CG 3.96Å
390	S	92.6	Very high	92.9	Very high	18 Å²	18	26 Å²	26	13%	0.126	13%	0.131	C	C	.	.	H	α-helix	trans	-61.8	-43.8	174.5	-66.1	0	0	0	0	111.5	Q386 Y387 Q388 L392 R393 I394	Q386-S390 PolarHBondContact O-N 3.21Å; Q386-S390 PolarHBondContact O-OG 2.92Å; Y387-S390 PolarHBondContact O-N 3.12Å; Q388-S390 VanDerWaalsContact C-N 3.33Å; Q388-S390 PolarHBondContact O-N 3.44Å; S390-L392 VanDerWaalsContact C-N 3.31Å; S390-L392 PolarHBondContact O-N 2.98Å; S390-R393 PolarHBondContact O-N 3.41Å; S390-I394 WeakPolarHBondContact O-CD1 3.42Å; S390-I394 WeakPolarHBondContact O-CG1 3.21Å; S390-I394 PolarHBondContact O-N 3.49Å; S390-I394 VanDerWaalsContact O-N 3.11Å
391	A	94.6	Very high	93.6	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-59.2	-42	173.2	0	0	0	0	0	112	F325 T329 Y387 Q388 R393 I394 A395 L430 W437	F325-A391 HydrophobicContact CE2-CB 4.34Å; F325-A391 HydrophobicContact CZ-CB 3.84Å; T329-A391 HydrophobicContact CG2-CB 4.49Å; Y387-A391 PolarHBondContact O-N 3.06Å; Y387-A391 VanDerWaalsContact O-N 3.09Å; Q388-A391 WeakPolarHBondContact O-CB 3.12Å; Q388-A391 PolarHBondContact O-N 3.31Å; A391-R393 PolarHBondContact O-N 3.26Å; A391-I394 WeakPolarHBondContact O-CB 3.36Å; A391-I394 PolarHBondContact O-N 2.89Å; A391-A395 PolarHBondContact O-N 3.36Å; A391-L430 HydrophobicContact CB-CD2 3.9Å; A391-W437 HydrophobicContact CB-CH2 4.01Å; A391-W437 HydrophobicContact CB-CZ3 3.7Å
392	L	95	Very high	94.1	Very high	7 Å²	7	20.4 Å²	20.4	4%	0.037	9%	0.092	C	C	.	.	H	α-helix	trans	-63.1	-41.1	177.1	178.8	56.9	0	0	0	112.2	Q388 F389 S390 I394 A395 E396 I427 M442	Q388-L392 PolarHBondContact O-N 2.72Å; F389-L392 HydrophobicContact CD1-CD2 4.41Å; F389-L392 WeakPolarHBondContact O-CB 3.46Å; F389-L392 PolarHBondContact O-N 3.3Å; S390-L392 VanDerWaalsContact C-N 3.31Å; S390-L392 PolarHBondContact O-N 2.98Å; L392-I394 VanDerWaalsContact C-N 3.3Å; L392-I394 PolarHBondContact O-N 3.26Å; L392-A395 WeakPolarHBondContact O-CB 3.21Å; L392-A395 PolarHBondContact O-N 3.36Å; L392-A395 VanDerWaalsContact O-N 3.14Å; L392-E396 HydrophobicContact CD1-CG 4.35Å; L392-E396 WeakPolarHBondContact O-CG 3.3Å; L392-E396 PolarHBondContact O-N 3.42Å; L392-I427 HydrophobicContact CD1-CB 4.39Å; L392-I427 HydrophobicContact CD1-CD1 4.47Å; L392-I427 HydrophobicContact CD1-CG1 3.42Å; L392-I427 VanDerWaalsContact CD1-CG1 3.42Å; L392-I427 HydrophobicContact CD2-CD1 4.03Å; L392-I427 HydrophobicContact CD2-CG1 3.83Å; L392-I427 HydrophobicContact CG-CG1 4.29Å; L392-M442 HydrophobicContact CD2-CE 3.96Å
393	R	94.9	Very high	94.4	Very high	88 Å²	88	19.9 Å²	19.9	33%	0.332	9%	0.089	S	C	.	.	H	α-helix	trans	-64.3	-35.9	176.5	-64.2	-62.5	157.2	-179.9	3.4	112.5	M362 F375 F389 S390 A391 E396 A397	M362-R393 HydrophobicContact SD-CB 4.22Å; F375-R393 HydrophobicContact CE2-CB 4.13Å; F375-R393 HydrophobicContact CE2-CG 4.47Å; F375-R393 HydrophobicContact CZ-CB 4.07Å; F389-R393 WeakPolarHBondContact O-CG 3.45Å; F389-R393 PolarHBondContact O-N 2.97Å; S390-R393 PolarHBondContact O-N 3.41Å; A391-R393 PolarHBondContact O-N 3.26Å; R393-E396 WeakPolarHBondContact CD-OE2 3.38Å; R393-E396 IonicContact CZ-OE1 3.84Å; R393-E396 IonicContact CZ-OE2 3.46Å; R393-E396 IonicContact NE-OE2 3.94Å; R393-E396 IonicContact NH1-OE1 3.85Å; R393-E396 PolarHBondContact NH1-OE1 3.3Å; R393-E396 IonicContact NH1-OE2 3.52Å; R393-E396 PolarHBondContact NH1-OE2 3.39Å; R393-A397 WeakPolarHBondContact O-CB 3.24Å; R393-A397 PolarHBondContact O-N 2.86Å
394	I	96.8	Very high	94.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.9	-44.7	172.3	-63.5	157.8	0	0	0	110.1	F325 I326 T329 S330 M362 F375 S390 A391 L392 A397 M398	F325-I394 HydrophobicContact CD1-CD1 3.92Å; F325-I394 HydrophobicContact CE1-CD1 3.46Å; F325-I394 VanDerWaalsContact CE1-CD1 3.46Å; F325-I394 HydrophobicContact CZ-CD1 3.98Å; I326-I394 HydrophobicContact CB-CD1 4.41Å; I326-I394 HydrophobicContact CG1-CD1 3.87Å; I326-I394 HydrophobicContact CG1-CG1 4.39Å; T329-I394 HydrophobicContact CG2-CB 4.14Å; T329-I394 HydrophobicContact CG2-CD1 4.43Å; T329-I394 HydrophobicContact CG2-CG2 3.85Å; S330-I394 WeakPolarHBondContact OG-CG2 3.27Å; M362-I394 HydrophobicContact CE-CG1 4.44Å; M362-I394 HydrophobicContact SD-CG1 4.12Å; F375-I394 HydrophobicContact CE1-CD1 4.22Å; F375-I394 HydrophobicContact CE1-CG1 4.07Å; F375-I394 HydrophobicContact CZ-CG1 4.23Å; S390-I394 WeakPolarHBondContact O-CD1 3.42Å; S390-I394 WeakPolarHBondContact O-CG1 3.21Å; S390-I394 PolarHBondContact O-N 3.49Å; S390-I394 VanDerWaalsContact O-N 3.11Å; A391-I394 WeakPolarHBondContact O-CB 3.36Å; A391-I394 PolarHBondContact O-N 2.89Å; L392-I394 VanDerWaalsContact C-N 3.3Å; L392-I394 PolarHBondContact O-N 3.26Å; I394-A397 WeakPolarHBondContact O-CB 3.13Å; I394-A397 PolarHBondContact O-N 3.22Å; I394-M398 PolarHBondContact O-N 3.12Å
395	A	97.3	Very high	94.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.9	-45.2	177.3	0	0	0	0	0	112.2	V333 A391 L392 A397 M398 V399 L430	V333-A395 HydrophobicContact CG1-CB 4.15Å; V333-A395 HydrophobicContact CG2-CB 4.08Å; A391-A395 PolarHBondContact O-N 3.36Å; L392-A395 WeakPolarHBondContact O-CB 3.21Å; L392-A395 PolarHBondContact O-N 3.36Å; L392-A395 VanDerWaalsContact O-N 3.14Å; A395-A397 VanDerWaalsContact C-N 3.29Å; A395-A397 PolarHBondContact O-N 2.87Å; A395-M398 PolarHBondContact O-N 2.85Å; A395-M398 VanDerWaalsContact O-N 3.09Å; A395-V399 WeakPolarHBondContact O-CG2 3.43Å; A395-V399 PolarHBondContact O-N 3.26Å; A395-L430 HydrophobicContact CB-CB 4.28Å
396	E	96.8	Very high	94.5	Very high	10 Å²	10	17.9 Å²	17.9	5%	0.047	9%	0.086	C	C	.	.	H	α-helix	trans	-57.1	-41.4	173.1	-72.8	174.9	-170.9	0	0	111.8	L392 R393 M398 V399 R400 I422	L392-E396 HydrophobicContact CD1-CG 4.35Å; L392-E396 WeakPolarHBondContact O-CG 3.3Å; L392-E396 PolarHBondContact O-N 3.42Å; R393-E396 WeakPolarHBondContact CD-OE2 3.38Å; R393-E396 IonicContact CZ-OE1 3.84Å; R393-E396 IonicContact CZ-OE2 3.46Å; R393-E396 IonicContact NE-OE2 3.94Å; R393-E396 IonicContact NH1-OE1 3.85Å; R393-E396 PolarHBondContact NH1-OE1 3.3Å; R393-E396 IonicContact NH1-OE2 3.52Å; R393-E396 PolarHBondContact NH1-OE2 3.39Å; E396-M398 VanDerWaalsContact C-N 3.31Å; E396-M398 PolarHBondContact O-N 2.67Å; E396-V399 PolarHBondContact O-N 3.27Å; E396-R400 VanDerWaalsContact O-CG 3.31Å; E396-R400 WeakPolarHBondContact O-CG 3.25Å; E396-R400 PolarHBondContact O-N 3.2Å; E396-I422 HydrophobicContact CB-CG2 3.77Å; E396-I422 HydrophobicContact CG-CG2 4.02Å
397	A	96.5	Very high	94.7	Very high	3 Å²	3	15.6 Å²	15.6	3%	0.025	8%	0.076	C	C	.	.	H	α-helix	trans	-63.6	-36.4	176.2	0	0	0	0	0	112.2	M362 S364 V369 R393 I394 A395 R400 Q401	M362-A397 HydrophobicContact CE-CB 3.55Å; M362-A397 HydrophobicContact SD-CB 4.39Å; S364-A397 PolarHBondContact OG-O 3.46Å; V369-A397 HydrophobicContact CG1-CB 4.43Å; R393-A397 WeakPolarHBondContact O-CB 3.24Å; R393-A397 PolarHBondContact O-N 2.86Å; I394-A397 WeakPolarHBondContact O-CB 3.13Å; I394-A397 PolarHBondContact O-N 3.22Å; A395-A397 VanDerWaalsContact C-N 3.29Å; A395-A397 PolarHBondContact O-N 2.87Å; A397-R400 WeakPolarHBondContact O-CB 3.43Å; A397-Q401 PolarHBondContact O-N 3.21Å
398	M	97.4	Very high	94.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-72.6	-38.2	174.9	-65.8	-54.5	98.6	0	0	112.3	V333 L334 L337 V350 F352 V369 I394 A395 E396 R400 Q401	V333-M398 HydrophobicContact CB-CB 4.32Å; V333-M398 HydrophobicContact CB-CG 4.31Å; V333-M398 HydrophobicContact CG1-CB 3.76Å; V333-M398 HydrophobicContact CG1-CG 4.28Å; L334-M398 HydrophobicContact CB-CG 4.35Å; L334-M398 HydrophobicContact CB-SD 4.05Å; L334-M398 HydrophobicContact CD1-CB 4.25Å; L334-M398 HydrophobicContact CD1-SD 4.05Å; L334-M398 HydrophobicContact CG-SD 4.47Å; L337-M398 HydrophobicContact CD1-CB 4.32Å; V350-M398 HydrophobicContact CG1-CE 4.42Å; F352-M398 HydrophobicContact CE1-CE 3.77Å; F352-M398 HydrophobicContact CZ-CE 3.64Å; F352-M398 HydrophobicContact CZ-SD 4.4Å; V369-M398 HydrophobicContact CG2-CE 4.12Å; I394-M398 PolarHBondContact O-N 3.12Å; A395-M398 PolarHBondContact O-N 2.85Å; A395-M398 VanDerWaalsContact O-N 3.09Å; E396-M398 VanDerWaalsContact C-N 3.31Å; E396-M398 PolarHBondContact O-N 2.67Å; M398-R400 VanDerWaalsContact C-N 3.29Å; M398-R400 PolarHBondContact O-N 3.49Å; M398-Q401 VanDerWaalsContact O-CB 3.23Å; M398-Q401 WeakPolarHBondContact O-CB 3.29Å; M398-Q401 PolarHBondContact O-N 3.02Å; M398-Q401 VanDerWaalsContact O-N 3.14Å
399	V	97.9	Very high	94.6	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-61.2	-39.9	173	176.2	0	0	0	0	111.1	L337 A395 E396 Q401 F402 F403 I422 L425	L337-V399 HydrophobicContact CD1-CB 4.46Å; L337-V399 HydrophobicContact CD1-CG2 3.79Å; L337-V399 HydrophobicContact CD2-CG2 4.39Å; A395-V399 WeakPolarHBondContact O-CG2 3.43Å; A395-V399 PolarHBondContact O-N 3.26Å; E396-V399 PolarHBondContact O-N 3.27Å; V399-Q401 PolarHBondContact O-N 3.13Å; V399-F402 PolarHBondContact O-N 3.37Å; V399-F403 HydrophobicContact CG1-CD2 3.8Å; V399-F403 PolarHBondContact O-N 3.27Å; V399-I422 HydrophobicContact CB-CG2 4.42Å; V399-I422 HydrophobicContact CG1-CB 4.37Å; V399-I422 HydrophobicContact CG1-CG1 4.06Å; V399-I422 HydrophobicContact CG1-CG2 4.44Å; V399-L425 HydrophobicContact CG1-CB 3.85Å; V399-L425 HydrophobicContact CG1-CD1 4.03Å; V399-L425 HydrophobicContact CG2-CB 3.99Å
400	R	96.4	Very high	94.7	Very high	58 Å²	58	16.1 Å²	16.1	22%	0.219	8%	0.078	C	C	.	.	H	α-helix	trans	-58.6	-27.6	175.5	-77.3	171.2	-164.3	-79.6	-1.5	113.6	E396 A397 M398 F402 F403 G404 G405 E419 I422	E396-R400 VanDerWaalsContact O-CG 3.31Å; E396-R400 WeakPolarHBondContact O-CG 3.25Å; E396-R400 PolarHBondContact O-N 3.2Å; A397-R400 WeakPolarHBondContact O-CB 3.43Å; M398-R400 VanDerWaalsContact C-N 3.29Å; M398-R400 PolarHBondContact O-N 3.49Å; R400-F402 PolarHBondContact O-N 3.48Å; R400-F403 CarbonylContact O-C 3.55Å; R400-G404 CarbonylContact O-C 3.47Å; R400-G404 WeakPolarHBondContact O-CA 3.26Å; R400-G404 PolarHBondContact O-N 3.14Å; R400-G405 PolarHBondContact O-N 3.12Å; R400-E419 IonicContact CZ-OE1 3.3Å; R400-E419 IonicContact CZ-OE2 2.79Å; R400-E419 IonicContact NH1-OE1 2.94Å; R400-E419 PolarHBondContact NH1-OE1 2.97Å; R400-E419 IonicContact NH1-OE2 3.55Å; R400-E419 IonicContact NH2-OE1 3.42Å; R400-E419 PolarHBondContact NH2-OE1 3.24Å; R400-E419 IonicContact NH2-OE2 2.98Å; R400-E419 PolarHBondContact NH2-OE2 3.29Å; R400-I422 HydrophobicContact CG-CD1 3.48Å; R400-I422 VanDerWaalsContact CG-CD1 3.48Å; R400-I422 HydrophobicContact CG-CG1 4.06Å; R400-I422 HydrophobicContact CG-CG2 4.02Å
401	Q	95.9	Very high	94.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.3	-30.3	174.5	-64	-63.8	-59	0	0	111.8	L334 Y345 S364 S365 L366 A397 M398 V399 G405 I406	L334-Q401 HydrophobicContact CD1-CB 4.15Å; L334-Q401 HydrophobicContact CD1-CG 4.27Å; Y345-Q401 HydrophobicContact CD2-CB 4.48Å; Y345-Q401 HydrophobicContact CE2-CB 3.89Å; Y345-Q401 HydrophobicContact CE2-CG 4.3Å; Y345-Q401 PolarHBondContact OH-OE1 3.29Å; S364-Q401 PolarHBondContact OG-NE2 3.45Å; S365-Q401 PolarHBondContact O-NE2 2.89Å; L366-Q401 WeakPolarHBondContact CD1-O 3.49Å; A397-Q401 PolarHBondContact O-N 3.21Å; M398-Q401 VanDerWaalsContact O-CB 3.23Å; M398-Q401 WeakPolarHBondContact O-CB 3.29Å; M398-Q401 PolarHBondContact O-N 3.02Å; M398-Q401 VanDerWaalsContact O-N 3.14Å; V399-Q401 PolarHBondContact O-N 3.13Å; Q401-G405 WeakPolarHBondContact O-CA 3.48Å; Q401-I406 PolarHBondContact O-N 3.46Å
402	F	96	Very high	94.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-90.5	-60.1	172.7	-61.9	-95.5	0	0	0	111.4	L334 L337 Q338 L341 I343 V399 R400 G404 I406 T407 L505	L334-F402 HydrophobicContact CD1-CE2 3.69Å; L334-F402 HydrophobicContact CD1-CZ 4.39Å; L337-F402 HydrophobicContact CB-CD2 4.37Å; L337-F402 HydrophobicContact CB-CE2 3.67Å; L337-F402 HydrophobicContact CB-CZ 4.07Å; L337-F402 HydrophobicContact CD1-CD2 4.21Å; L337-F402 HydrophobicContact CD1-CE2 4.05Å; Q338-F402 HydrophobicContact CG-CE1 4.45Å; Q338-F402 HydrophobicContact CG-CZ 3.8Å; L341-F402 HydrophobicContact CD1-CB 4.33Å; L341-F402 HydrophobicContact CD1-CD1 3.84Å; L341-F402 HydrophobicContact CD1-CD2 4.33Å; L341-F402 HydrophobicContact CD1-CE1 4.2Å; L341-F402 HydrophobicContact CD1-CG 3.92Å; I343-F402 HydrophobicContact CB-CD1 4.28Å; I343-F402 HydrophobicContact CB-CE1 4.01Å; I343-F402 HydrophobicContact CG2-CD1 4.04Å; I343-F402 HydrophobicContact CG2-CE1 3.95Å; V399-F402 PolarHBondContact O-N 3.37Å; R400-F402 PolarHBondContact O-N 3.48Å; F402-G404 PolarHBondContact O-N 2.94Å; F402-I406 HydrophobicContact CD1-CD1 3.63Å; F402-I406 HydrophobicContact CE1-CD1 4.21Å; F402-I406 HydrophobicContact CG-CD1 4.33Å; F402-I406 WeakPolarHBondContact O-CB 3.45Å; F402-I406 PolarHBondContact O-N 3.12Å; F402-I406 VanDerWaalsContact O-N 3.11Å; F402-T407 PolarHBondContact O-N 3.35Å; F402-L505 HydrophobicContact CB-CD1 4.03Å; F402-L505 HydrophobicContact CB-CD2 4.23Å; F402-L505 HydrophobicContact CD1-CD1 4.13Å; F402-L505 HydrophobicContact CG-CD1 4.5Å
403	F	95.1	Very high	94	Very high	1 Å²	1	21.7 Å²	21.7	0%	0.004	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-93.6	74.2	-177.2	-57.8	-85	0	0	0	110.7	L341 V399 R400 L421 I422 L425 L501 F504 L505	L341-F403 HydrophobicContact CD1-CE2 4.1Å; L341-F403 HydrophobicContact CD2-CE2 4.43Å; L341-F403 HydrophobicContact CD2-CZ 4.32Å; V399-F403 HydrophobicContact CG1-CD2 3.8Å; V399-F403 PolarHBondContact O-N 3.27Å; R400-F403 CarbonylContact O-C 3.55Å; F403-L421 HydrophobicContact CD1-CD2 3.53Å; F403-L421 HydrophobicContact CD2-CD2 4.48Å; F403-L421 HydrophobicContact CE1-CD2 3.74Å; F403-L421 HydrophobicContact CG-CD2 3.94Å; F403-L421 HydrophobicContact CZ-CD2 4.31Å; F403-I422 HydrophobicContact CB-CG1 4.43Å; F403-L425 HydrophobicContact CD2-CD1 3.92Å; F403-L425 HydrophobicContact CE2-CD1 3.48Å; F403-L425 VanDerWaalsContact CE2-CD1 3.48Å; F403-L425 HydrophobicContact CZ-CD1 4.07Å; F403-L501 HydrophobicContact CE1-CD2 4.14Å; F403-L501 HydrophobicContact CZ-CB 4.09Å; F403-L501 HydrophobicContact CZ-CD1 4.31Å; F403-L501 HydrophobicContact CZ-CD2 4.07Å; F403-L501 HydrophobicContact CZ-CG 4.39Å; F403-F504 HydrophobicContact CE1-CD1 4.11Å; F403-L505 HydrophobicContact CD1-CD2 4.12Å; F403-L505 HydrophobicContact CE1-CD1 4.12Å; F403-L505 HydrophobicContact CE1-CD2 3.99Å; F403-L505 HydrophobicContact CE1-CG 3.96Å; F403-L505 HydrophobicContact CE2-CD1 4.09Å; F403-L505 HydrophobicContact CZ-CD1 3.69Å; F403-L505 HydrophobicContact CZ-CD2 4.35Å; F403-L505 HydrophobicContact CZ-CG 4.06Å
404	G	89.4	Confident	93.8	Very high	28 Å²	28	18.6 Å²	18.6	29%	0.289	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	154.2	-50.8	-176.6	0	0	0	0	0	109.1	R400 F402 T407	R400-G404 CarbonylContact O-C 3.47Å; R400-G404 WeakPolarHBondContact O-CA 3.26Å; R400-G404 PolarHBondContact O-N 3.14Å; F402-G404 PolarHBondContact O-N 2.94Å; G404-T407 CarbonylContact C-O 3.52Å; G404-T407 VanDerWaalsContact C-O 3.25Å; G404-T407 WeakPolarHBondContact CA-O 3.46Å; G404-T407 PolarHBondContact N-O 3.48Å
405	G	91.7	Very high	93.5	Very high	4 Å²	4	19.2 Å²	19.2	4%	0.041	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-67.4	175.6	0	0	0	0	0	113.3	R148 R400 Q401	R148-G405 PolarHBondContact NH2-O 3.47Å; R400-G405 PolarHBondContact O-N 3.12Å; Q401-G405 WeakPolarHBondContact O-CA 3.48Å
406	I	94.7	Very high	93.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-45.5	-178.4	-64.3	175.3	0	0	0	111.6	I343 P346 Q401 F402 L505 R509 F510	I343-I406 HydrophobicContact CG2-CD1 3.78Å; P346-I406 HydrophobicContact CG-CD1 4.48Å; P346-I406 HydrophobicContact CG-CG1 4.08Å; Q401-I406 PolarHBondContact O-N 3.46Å; F402-I406 HydrophobicContact CD1-CD1 3.63Å; F402-I406 HydrophobicContact CE1-CD1 4.21Å; F402-I406 HydrophobicContact CG-CD1 4.33Å; F402-I406 WeakPolarHBondContact O-CB 3.45Å; F402-I406 PolarHBondContact O-N 3.12Å; F402-I406 VanDerWaalsContact O-N 3.11Å; I406-L505 HydrophobicContact CB-CD2 4.32Å; I406-L505 HydrophobicContact CG2-CD2 4.32Å; I406-R509 HydrophobicContact CG2-CB 4.44Å; I406-R509 HydrophobicContact CG2-CG 4.02Å; I406-F510 WeakPolarHBondContact O-CA 3.22Å; I406-F510 PolarHBondContact O-N 3.44Å
407	T	94.3	Very high	93.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-129.6	151.1	174.6	-173.2	0	0	0	0	109.4	F402 G404 F504 L505 N508 R511	F402-T407 PolarHBondContact O-N 3.35Å; G404-T407 CarbonylContact C-O 3.52Å; G404-T407 VanDerWaalsContact C-O 3.25Å; G404-T407 WeakPolarHBondContact CA-O 3.46Å; G404-T407 PolarHBondContact N-O 3.48Å; T407-F504 HydrophobicContact CG2-CD1 4.32Å; T407-F504 HydrophobicContact CG2-CE1 3.7Å; T407-L505 HydrophobicContact CG2-CD2 3.58Å; T407-N508 WeakPolarHBondContact OG1-CB 3.48Å; T407-R511 PolarHBondContact OG1-O 2.88Å
408	S	91.1	Very high	93	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.007	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	172.4	-179.7	65.4	0	0	0	0	112	R148 R511 T512 A513	R148-S408 VanDerWaalsContact NH1-CB 3.31Å; R148-S408 PolarHBondContact NH1-OG 2.83Å; S408-R511 PolarHBondContact N-O 3.32Å; S408-T512 CarbonylContact O-C 3.58Å; S408-T512 VanDerWaalsContact O-CA 3.24Å; S408-T512 WeakPolarHBondContact O-CA 3.34Å; S408-A513 PolarHBondContact O-N 3.45Å
409	R	91.8	Very high	92.8	Very high	35 Å²	35	21.2 Å²	21.2	13%	0.132	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	144.7	177.7	64.1	-120.7	-171.5	-88.6	-4.4	110.2	P145 D197 L412 V415 W418	P145-R409 HydrophobicContact CB-CG 4.42Å; D197-R409 IonicContact OD2-CZ 2.66Å; D197-R409 IonicContact OD2-NH1 2.97Å; D197-R409 IonicContact OD2-NH2 3.36Å; D197-R409 PolarHBondContact OD2-NH2 3.49Å; R409-L412 VanDerWaalsContact NH2-CD2 3.32Å; R409-V415 HydrophobicContact CG-CG2 4.39Å; R409-W418 VanDerWaalsContact CA-NE1 3.28Å
410	K	91.9	Very high	92.7	Very high	84 Å²	84	21.2 Å²	21.2	37%	0.365	11%	0.107	S	C	.	.	S	Bend	trans	-78.9	-37.2	170.2	-170.8	-179.6	170.8	-168.3	0	112.1	H146 A513 E514	H146-K410 HydrophobicContact CB-CG 3.93Å; H146-K410 WeakPolarHBondContact CB-O 3.47Å; K410-A513 PolarHBondContact N-O 3.1Å; K410-A513 VanDerWaalsContact N-O 3.12Å; K410-E514 HydrophobicContact CB-CG 4.1Å; K410-E514 HydrophobicContact CD-CG 3.75Å; K410-E514 WeakPolarHBondContact CD-OE1 3.45Å; K410-E514 WeakPolarHBondContact CE-OE1 3.45Å; K410-E514 IonicContact NZ-OE1 3.61Å; K410-E514 PolarHBondContact NZ-OE1 2.78Å
411	V	90.3	Very high	92.7	Very high	58 Å²	58	18.4 Å²	18.4	35%	0.352	10%	0.096	S	C	.	.	S	Bend	trans	-128.4	147.2	-179.9	-172.6	0	0	0	0	109.9	K413 D414	V411-K413 HydrophobicContact CG1-CB 4.26Å; V411-K413 PolarHBondContact O-N 3.29Å; V411-D414 PolarHBondContact O-N 2.91Å; V411-D414 VanDerWaalsContact O-N 3.17Å
412	L	88	Confident	92.7	Very high	12 Å²	12	18.5 Å²	18.5	6%	0.063	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-62.3	-28.5	178.7	-64.9	-177.9	0	0	0	113.1	P132 P145 R409 D414 V415 T467 G471	P132-L412 HydrophobicContact CB-CD1 4.14Å; P132-L412 HydrophobicContact CB-CD2 3.88Å; P145-L412 HydrophobicContact CB-CD2 4.08Å; P145-L412 HydrophobicContact CG-CD2 4.03Å; P145-L412 HydrophobicContact CG-CG 4.04Å; R409-L412 VanDerWaalsContact NH2-CD2 3.32Å; L412-D414 PolarHBondContact O-N 3.36Å; L412-V415 WeakPolarHBondContact O-CB 3.49Å; L412-V415 WeakPolarHBondContact O-CG2 3.5Å; L412-V415 PolarHBondContact O-N 3.03Å; L412-T467 VanDerWaalsContact O-CG2 3.24Å; L412-T467 WeakPolarHBondContact O-CG2 3.31Å; L412-G471 WeakPolarHBondContact O-CA 3.03Å
413	K	89	Confident	92.7	Very high	73 Å²	73	19.9 Å²	19.9	32%	0.317	10%	0.103	S	C	.	.	G	3₁₀ helix	trans	-63.2	-20	176.8	-166.9	171	178.2	177.7	0	113.3	V411 M464 T467	V411-K413 HydrophobicContact CG1-CB 4.26Å; V411-K413 PolarHBondContact O-N 3.29Å; K413-M464 WeakPolarHBondContact CE-O 3.45Å; K413-T467 VanDerWaalsContact O-CB 3.26Å; K413-T467 WeakPolarHBondContact O-CB 3.3Å; K413-T467 PolarHBondContact O-OG1 3.48Å
414	D	90.6	Very high	92.7	Very high	22 Å²	22	20.2 Å²	20.2	12%	0.118	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-95.1	12.6	-179.7	-59.8	-36.1	0	0	0	113.2	V411 L412 W416 L417 P515	V411-D414 PolarHBondContact O-N 2.91Å; V411-D414 VanDerWaalsContact O-N 3.17Å; L412-D414 PolarHBondContact O-N 3.36Å; D414-W416 PolarHBondContact O-N 3.37Å; D414-L417 WeakPolarHBondContact O-CB 3.39Å; D414-L417 PolarHBondContact O-N 3.47Å; D414-P515 HydrophobicContact CB-CG 4.13Å
415	V	91.3	Very high	93.1	Very high	14 Å²	14	18.9 Å²	18.9	9%	0.085	9%	0.091	C	C	.	.	H	α-helix	trans	-60.5	-30.2	-179.4	172.6	0	0	0	0	112	R409 L412 L417 W418 E419 T467	R409-V415 HydrophobicContact CG-CG2 4.39Å; L412-V415 WeakPolarHBondContact O-CB 3.49Å; L412-V415 WeakPolarHBondContact O-CG2 3.5Å; L412-V415 PolarHBondContact O-N 3.03Å; V415-L417 PolarHBondContact O-N 3.05Å; V415-L417 VanDerWaalsContact O-N 3.17Å; V415-W418 PolarHBondContact O-N 3.32Å; V415-W418 VanDerWaalsContact O-N 3.12Å; V415-E419 HydrophobicContact CG1-CG 3.71Å; V415-E419 PolarHBondContact O-N 3.23Å; V415-T467 HydrophobicContact CB-CG2 4.13Å
416	W	92.8	Very high	93.3	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-50.1	-39.4	175.5	66.8	-94.2	0	0	0	112.8	D414 W418 G420 I463 M464 T467 N473 T481 P515 W519 T540	D414-W416 PolarHBondContact O-N 3.37Å; W416-W418 PolarHBondContact O-N 3.12Å; W416-G420 PolarHBondContact O-N 2.94Å; W416-I463 HydrophobicContact CB-CG2 4.14Å; W416-I463 HydrophobicContact CD2-CG2 3.52Å; W416-I463 HydrophobicContact CE3-CG2 3.4Å; W416-I463 HydrophobicContact CG-CG2 3.85Å; W416-I463 HydrophobicContact CZ3-CG2 4.03Å; W416-M464 HydrophobicContact CZ2-SD 3.51Å; W416-M464 VanDerWaalsContact CZ2-SD 3.51Å; W416-T467 WeakPolarHBondContact CB-OG1 3.46Å; W416-N473 VanDerWaalsContact CA-ND2 3.34Å; W416-N473 WeakPolarHBondContact CA-ND2 3.48Å; W416-N473 PolarHBondContact N-ND2 3.46Å; W416-T481 HydrophobicContact CE3-CG2 3.53Å; W416-T481 HydrophobicContact CZ3-CG2 3.74Å; W416-P515 HydrophobicContact CZ2-CB 4.2Å; W416-P515 HydrophobicContact CZ2-CG 3.98Å; W416-W519 HydrophobicContact CH2-CZ2 4.09Å; W416-T540 HydrophobicContact CH2-CG2 3.35Å; W416-T540 HydrophobicContact CZ2-CG2 4.17Å; W416-T540 HydrophobicContact CZ3-CG2 3.83Å
417	L	93.9	Very high	93.3	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-60.9	-46.5	-178.6	-178.9	74.9	0	0	0	111.1	D414 V415 L421 F485 P515 L518 W519	D414-L417 WeakPolarHBondContact O-CB 3.39Å; D414-L417 PolarHBondContact O-N 3.47Å; V415-L417 PolarHBondContact O-N 3.05Å; V415-L417 VanDerWaalsContact O-N 3.17Å; L417-L421 WeakPolarHBondContact O-CB 3.22Å; L417-L421 PolarHBondContact O-N 3.29Å; L417-F485 HydrophobicContact CD1-CE2 4.18Å; L417-F485 HydrophobicContact CD1-CZ 3.57Å; L417-F485 HydrophobicContact CG-CZ 4.35Å; L417-F485 WeakPolarHBondContact O-CE2 3.25Å; L417-P515 HydrophobicContact CD1-CB 4.36Å; L417-P515 HydrophobicContact CD2-CB 4Å; L417-P515 HydrophobicContact CD2-CG 3.99Å; L417-L518 HydrophobicContact CD1-CD2 4.32Å; L417-W519 HydrophobicContact CD1-CH2 3.52Å; L417-W519 HydrophobicContact CD1-CZ2 3.56Å
418	W	93.8	Very high	93.3	Very high	10 Å²	10	20.9 Å²	20.9	4%	0.038	10%	0.099	C	C	.	.	H	α-helix	trans	-73.9	-46.7	-179.2	-62.3	149.1	0	0	0	112.2	R409 V415 W416 G420 L421 I422 F504 A513	R409-W418 VanDerWaalsContact CA-NE1 3.28Å; V415-W418 PolarHBondContact O-N 3.32Å; V415-W418 VanDerWaalsContact O-N 3.12Å; W416-W418 PolarHBondContact O-N 3.12Å; W418-G420 VanDerWaalsContact C-N 3.31Å; W418-G420 PolarHBondContact O-N 3.17Å; W418-L421 HydrophobicContact CE3-CD2 3.88Å; W418-L421 HydrophobicContact CZ3-CD2 3.85Å; W418-L421 PolarHBondContact O-N 2.83Å; W418-I422 HydrophobicContact CB-CD1 4.14Å; W418-I422 VanDerWaalsContact O-CB 3.26Å; W418-I422 WeakPolarHBondContact O-CB 3.35Å; W418-I422 WeakPolarHBondContact O-CD1 3.18Å; W418-I422 WeakPolarHBondContact O-CG1 3.48Å; W418-I422 PolarHBondContact O-N 3.1Å; W418-F504 AromaticContact CH2-CE1 3.43Å; W418-F504 HydrophobicContact CH2-CE1 3.43Å; W418-F504 VanDerWaalsContact CH2-CE1 3.43Å; W418-F504 HydrophobicContact CH2-CE2 4.39Å; W418-F504 AromaticContact CH2-CZ 3.29Å; W418-F504 HydrophobicContact CH2-CZ 3.29Å; W418-F504 HydrophobicContact CZ2-CE1 4.16Å; W418-F504 AromaticContact CZ2-CZ 3.91Å; W418-F504 HydrophobicContact CZ2-CZ 3.91Å; W418-F504 HydrophobicContact CZ3-CE1 4.03Å; W418-F504 HydrophobicContact CZ3-CZ 4.25Å; W418-A513 HydrophobicContact CZ2-CB 4.42Å
419	E	93.5	Very high	93.5	Very high	42 Å²	42	20.9 Å²	20.9	20%	0.196	10%	0.099	C	C	.	.	H	α-helix	trans	-58.7	-44.7	179.4	-68.8	-61.6	146.5	0	0	111.5	R400 V415 I422 Q423 V478	R400-E419 IonicContact CZ-OE1 3.3Å; R400-E419 IonicContact CZ-OE2 2.79Å; R400-E419 IonicContact NH1-OE1 2.94Å; R400-E419 PolarHBondContact NH1-OE1 2.97Å; R400-E419 IonicContact NH1-OE2 3.55Å; R400-E419 IonicContact NH2-OE1 3.42Å; R400-E419 PolarHBondContact NH2-OE1 3.24Å; R400-E419 IonicContact NH2-OE2 2.98Å; R400-E419 PolarHBondContact NH2-OE2 3.29Å; V415-E419 HydrophobicContact CG1-CG 3.71Å; V415-E419 PolarHBondContact O-N 3.23Å; E419-I422 PolarHBondContact O-N 3.26Å; E419-Q423 WeakPolarHBondContact O-CG 3.4Å; E419-Q423 PolarHBondContact O-N 3.18Å; E419-Q423 VanDerWaalsContact O-N 3.09Å; E419-V478 HydrophobicContact CB-CG1 3.69Å; E419-V478 HydrophobicContact CB-CG2 3.96Å
420	G	95.1	Very high	93.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-67.8	-40.8	177.7	0	0	0	0	0	113.3	W416 W418 Y424	W416-G420 PolarHBondContact O-N 2.94Å; W418-G420 VanDerWaalsContact C-N 3.31Å; W418-G420 PolarHBondContact O-N 3.17Å; G420-Y424 WeakPolarHBondContact O-CB 3.38Å; G420-Y424 PolarHBondContact O-N 2.91Å; G420-Y424 VanDerWaalsContact O-N 3.11Å
421	L	96.5	Very high	93.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.8	-42.4	175.8	-178.8	61.7	0	0	0	111.6	F403 L417 W418 Y424 L425 F485 L501	F403-L421 HydrophobicContact CD1-CD2 3.53Å; F403-L421 HydrophobicContact CD2-CD2 4.48Å; F403-L421 HydrophobicContact CE1-CD2 3.74Å; F403-L421 HydrophobicContact CG-CD2 3.94Å; F403-L421 HydrophobicContact CZ-CD2 4.31Å; L417-L421 WeakPolarHBondContact O-CB 3.22Å; L417-L421 PolarHBondContact O-N 3.29Å; W418-L421 HydrophobicContact CE3-CD2 3.88Å; W418-L421 HydrophobicContact CZ3-CD2 3.85Å; W418-L421 PolarHBondContact O-N 2.83Å; L421-Y424 PolarHBondContact O-N 2.97Å; L421-L425 HydrophobicContact CD1-CD1 3.74Å; L421-L425 HydrophobicContact CD1-CG 3.85Å; L421-L425 HydrophobicContact CD2-CD1 4.44Å; L421-L425 HydrophobicContact CG-CD1 3.83Å; L421-L425 HydrophobicContact CG-CG 4.25Å; L421-L425 VanDerWaalsContact O-CB 3.31Å; L421-L425 WeakPolarHBondContact O-CB 3.5Å; L421-L425 VanDerWaalsContact O-CG 3.31Å; L421-L425 WeakPolarHBondContact O-CG 3.49Å; L421-L425 PolarHBondContact O-N 3.16Å; L421-F485 HydrophobicContact CB-CD2 4.11Å; L421-F485 HydrophobicContact CB-CE1 4.42Å; L421-F485 HydrophobicContact CB-CE2 3.61Å; L421-F485 HydrophobicContact CB-CZ 3.77Å; L421-F485 HydrophobicContact CD1-CD1 3.84Å; L421-F485 HydrophobicContact CD1-CD2 4.4Å; L421-F485 HydrophobicContact CD1-CE1 3.78Å; L421-F485 HydrophobicContact CD1-CE2 4.33Å; L421-F485 HydrophobicContact CD1-CG 4.16Å; L421-F485 HydrophobicContact CD1-CZ 4.01Å; L421-F485 HydrophobicContact CG-CZ 4.32Å; L421-L501 HydrophobicContact CD1-CD2 4.35Å; L421-L501 HydrophobicContact CD2-CD2 4.41Å
422	I	96.5	Very high	94	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-46.3	-178.5	-72.2	157.5	0	0	0	110.7	E396 V399 R400 F403 W418 E419 L425 G426	E396-I422 HydrophobicContact CB-CG2 3.77Å; E396-I422 HydrophobicContact CG-CG2 4.02Å; V399-I422 HydrophobicContact CB-CG2 4.42Å; V399-I422 HydrophobicContact CG1-CB 4.37Å; V399-I422 HydrophobicContact CG1-CG1 4.06Å; V399-I422 HydrophobicContact CG1-CG2 4.44Å; R400-I422 HydrophobicContact CG-CD1 3.48Å; R400-I422 VanDerWaalsContact CG-CD1 3.48Å; R400-I422 HydrophobicContact CG-CG1 4.06Å; R400-I422 HydrophobicContact CG-CG2 4.02Å; F403-I422 HydrophobicContact CB-CG1 4.43Å; W418-I422 HydrophobicContact CB-CD1 4.14Å; W418-I422 VanDerWaalsContact O-CB 3.26Å; W418-I422 WeakPolarHBondContact O-CB 3.35Å; W418-I422 WeakPolarHBondContact O-CD1 3.18Å; W418-I422 WeakPolarHBondContact O-CG1 3.48Å; W418-I422 PolarHBondContact O-N 3.1Å; E419-I422 PolarHBondContact O-N 3.26Å; I422-L425 PolarHBondContact O-N 3.46Å; I422-G426 PolarHBondContact O-N 2.89Å
423	Q	94.8	Very high	94.3	Very high	28 Å²	28	19.1 Å²	19.1	13%	0.131	10%	0.103	C	C	.	.	H	α-helix	trans	-65.5	-41.6	179.1	-67.4	-176.4	-2.5	0	0	111.4	E419 G426 I427 M447 V478	E419-Q423 WeakPolarHBondContact O-CG 3.4Å; E419-Q423 PolarHBondContact O-N 3.18Å; E419-Q423 VanDerWaalsContact O-N 3.09Å; Q423-G426 PolarHBondContact O-N 3.26Å; Q423-I427 PolarHBondContact O-N 2.67Å; Q423-M447 HydrophobicContact CB-CE 3.46Å; Q423-M447 VanDerWaalsContact CB-CE 3.46Å; Q423-M447 HydrophobicContact CB-SD 4.49Å; Q423-M447 HydrophobicContact CG-CE 4.26Å; Q423-V478 VanDerWaalsContact CD-CG1 3.43Å; Q423-V478 HydrophobicContact CG-CG1 4.29Å; Q423-V478 VanDerWaalsContact OE1-CG1 3.32Å
424	Y	96.3	Very high	94.5	Very high	8 Å²	8	16.1 Å²	16.1	3%	0.031	9%	0.09	C	C	.	.	H	α-helix	trans	-60.2	-50.9	174.8	177	-108.8	0	0	0	112.2	G420 L421 G426 I427 H428 Y443 F485 S486 H489 F497	G420-Y424 WeakPolarHBondContact O-CB 3.38Å; G420-Y424 PolarHBondContact O-N 2.91Å; G420-Y424 VanDerWaalsContact O-N 3.11Å; L421-Y424 PolarHBondContact O-N 2.97Å; Y424-G426 VanDerWaalsContact C-N 3.33Å; Y424-G426 PolarHBondContact O-N 3.08Å; Y424-I427 PolarHBondContact O-N 3.14Å; Y424-H428 WeakPolarHBondContact O-CB 3.25Å; Y424-H428 PolarHBondContact O-N 3.45Å; Y424-H428 VanDerWaalsContact O-N 3.09Å; Y424-Y443 HydrophobicContact CD2-CE2 4.16Å; Y424-F485 HydrophobicContact CD1-CB 3.86Å; Y424-F485 HydrophobicContact CE1-CB 4.46Å; Y424-F485 HydrophobicContact CG-CB 3.92Å; Y424-S486 VanDerWaalsContact CE2-CA 3.48Å; Y424-S486 VanDerWaalsContact CE2-CB 3.45Å; Y424-H489 HydrophobicContact CE1-CB 4.3Å; Y424-H489 AromaticContact CE1-ND1 3.99Å; Y424-H489 AromaticContact CZ-ND1 3.78Å; Y424-H489 WeakPolarHBondContact OH-CB 3.42Å; Y424-H489 PolarHBondContact OH-ND1 2.67Å; Y424-F497 HydrophobicContact CD1-CZ 4.4Å; Y424-F497 AromaticContact CE1-CE1 3.99Å; Y424-F497 HydrophobicContact CE1-CE1 3.99Å; Y424-F497 AromaticContact CE1-CZ 3.93Å; Y424-F497 HydrophobicContact CE1-CZ 3.93Å
425	L	97	Very high	94.4	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-70.6	-27.1	-179.1	-71	-177.2	0	0	0	113.2	W340 V399 F403 L421 I422 I427 H428 A429 F497 L501	W340-L425 HydrophobicContact CH2-CD2 3.85Å; W340-L425 HydrophobicContact CZ3-CD2 3.89Å; V399-L425 HydrophobicContact CG1-CB 3.85Å; V399-L425 HydrophobicContact CG1-CD1 4.03Å; V399-L425 HydrophobicContact CG2-CB 3.99Å; F403-L425 HydrophobicContact CD2-CD1 3.92Å; F403-L425 HydrophobicContact CE2-CD1 3.48Å; F403-L425 VanDerWaalsContact CE2-CD1 3.48Å; F403-L425 HydrophobicContact CZ-CD1 4.07Å; L421-L425 HydrophobicContact CD1-CD1 3.74Å; L421-L425 HydrophobicContact CD1-CG 3.85Å; L421-L425 HydrophobicContact CD2-CD1 4.44Å; L421-L425 HydrophobicContact CG-CD1 3.83Å; L421-L425 HydrophobicContact CG-CG 4.25Å; L421-L425 VanDerWaalsContact O-CB 3.31Å; L421-L425 WeakPolarHBondContact O-CB 3.5Å; L421-L425 VanDerWaalsContact O-CG 3.31Å; L421-L425 WeakPolarHBondContact O-CG 3.49Å; L421-L425 PolarHBondContact O-N 3.16Å; I422-L425 PolarHBondContact O-N 3.46Å; L425-I427 VanDerWaalsContact C-N 3.35Å; L425-H428 PolarHBondContact O-N 3.29Å; L425-A429 WeakPolarHBondContact O-CB 3.3Å; L425-A429 PolarHBondContact O-N 3.41Å; L425-F497 HydrophobicContact CD2-CE1 4.12Å; L425-L501 HydrophobicContact CD1-CD1 3.97Å; L425-L501 HydrophobicContact CD2-CD1 3.95Å
426	G	96.1	Very high	94.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60	-46.8	175.8	0	0	0	0	0	111.2	I422 Q423 Y424 L430	I422-G426 PolarHBondContact O-N 2.89Å; Q423-G426 PolarHBondContact O-N 3.26Å; Y424-G426 VanDerWaalsContact C-N 3.33Å; Y424-G426 PolarHBondContact O-N 3.08Å; G426-L430 VanDerWaalsContact O-CB 3.31Å; G426-L430 WeakPolarHBondContact O-CB 3.48Å; G426-L430 PolarHBondContact O-N 2.75Å; G426-L430 VanDerWaalsContact O-N 3.13Å
427	I	94.6	Very high	94.3	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.041	14%	0.14	C	C	.	.	H	α-helix	trans	-68.6	-45	175.1	-62.6	-179	0	0	0	110.6	L392 Q423 Y424 L425 A429 L430 A431 L439 Y443 M447	L392-I427 HydrophobicContact CD1-CB 4.39Å; L392-I427 HydrophobicContact CD1-CD1 4.47Å; L392-I427 HydrophobicContact CD1-CG1 3.42Å; L392-I427 VanDerWaalsContact CD1-CG1 3.42Å; L392-I427 HydrophobicContact CD2-CD1 4.03Å; L392-I427 HydrophobicContact CD2-CG1 3.83Å; L392-I427 HydrophobicContact CG-CG1 4.29Å; Q423-I427 PolarHBondContact O-N 2.67Å; Y424-I427 PolarHBondContact O-N 3.14Å; L425-I427 VanDerWaalsContact C-N 3.35Å; I427-A429 VanDerWaalsContact C-N 3.3Å; I427-A429 PolarHBondContact O-N 3.3Å; I427-L430 PolarHBondContact O-N 3.49Å; I427-A431 WeakPolarHBondContact O-CB 3.42Å; I427-A431 PolarHBondContact O-N 2.88Å; I427-L439 HydrophobicContact CG2-CB 4.18Å; I427-Y443 HydrophobicContact CD1-CD2 3.85Å; I427-Y443 HydrophobicContact CD1-CG 4.21Å; I427-M447 HydrophobicContact CD1-SD 3.96Å
428	H	94.1	Very high	94.3	Very high	37 Å²	37	27.3 Å²	27.3	17%	0.171	15%	0.146	C	C	.	.	H	α-helix	trans	-59.6	-38.5	179.6	-173	-96.9	0	0	0	113.1	W340 Y424 L425 P432 H489 E494	W340-H428 AromaticContact CE2-CE1 3.62Å; W340-H428 AromaticContact CH2-CE1 3.97Å; W340-H428 AromaticContact CH2-ND1 3.9Å; W340-H428 AromaticContact CZ2-CE1 3.32Å; W340-H428 WeakPolarHBondContact CZ2-CE1 2.9Å; W340-H428 AromaticContact CZ2-ND1 3.71Å; W340-H428 AromaticContact NE1-CE1 3.87Å; Y424-H428 WeakPolarHBondContact O-CB 3.25Å; Y424-H428 PolarHBondContact O-N 3.45Å; Y424-H428 VanDerWaalsContact O-N 3.09Å; L425-H428 PolarHBondContact O-N 3.29Å; H428-P432 WeakPolarHBondContact O-CD 3.49Å; H428-H489 AromaticContact NE2-CE1 3.5Å; H428-H489 PolarHBondContact NE2-CE1 2.92Å; H428-E494 IonicContact CE1-OE2 3.97Å; H428-E494 IonicContact NE2-OE2 2.82Å
429	A	95.5	Very high	94.2	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-78.4	-30	179.6	0	0	0	0	0	112.9	V333 Y336 L337 L425 I427	V333-A429 HydrophobicContact CG1-CB 4.14Å; Y336-A429 HydrophobicContact CD1-CB 4.02Å; Y336-A429 HydrophobicContact CE1-CB 4.13Å; L337-A429 HydrophobicContact CD2-CB 3.83Å; L337-A429 HydrophobicContact CG-CB 4.14Å; L425-A429 WeakPolarHBondContact O-CB 3.3Å; L425-A429 PolarHBondContact O-N 3.41Å; I427-A429 VanDerWaalsContact C-N 3.3Å; I427-A429 PolarHBondContact O-N 3.3Å
430	L	96	Very high	94.2	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-80.7	-32.5	179.2	-172.4	63.2	0	0	0	112.5	T329 V333 A391 A395 G426 I427 L433 Q434 W437 L439	T329-L430 HydrophobicContact CG2-CD1 4.43Å; V333-L430 HydrophobicContact CG2-CD1 4.22Å; A391-L430 HydrophobicContact CB-CD2 3.9Å; A395-L430 HydrophobicContact CB-CB 4.28Å; G426-L430 VanDerWaalsContact O-CB 3.31Å; G426-L430 WeakPolarHBondContact O-CB 3.48Å; G426-L430 PolarHBondContact O-N 2.75Å; G426-L430 VanDerWaalsContact O-N 3.13Å; I427-L430 PolarHBondContact O-N 3.49Å; L430-L433 WeakPolarHBondContact O-CA 3.28Å; L430-L433 WeakPolarHBondContact O-CB 3.49Å; L430-L433 PolarHBondContact O-N 3.38Å; L430-Q434 HydrophobicContact CD1-CG 3.88Å; L430-Q434 HydrophobicContact CG-CG 4.15Å; L430-Q434 PolarHBondContact O-N 3.23Å; L430-Q434 VanDerWaalsContact O-N 3.07Å; L430-W437 HydrophobicContact CD2-CZ3 4.46Å; L430-L439 HydrophobicContact CB-CD1 4.17Å; L430-L439 HydrophobicContact CD2-CD1 4Å; L430-L439 HydrophobicContact CD2-CD2 4.32Å; L430-L439 HydrophobicContact CG-CD1 3.82Å
431	A	94.1	Very high	94.1	Very high	39 Å²	39	28.3 Å²	28.3	32%	0.322	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-56.3	-46.5	-174.4	0	0	0	0	0	114.4	I427 L433 Q434 L439	I427-A431 WeakPolarHBondContact O-CB 3.42Å; I427-A431 PolarHBondContact O-N 2.88Å; A431-L433 PolarHBondContact O-N 3.15Å; A431-Q434 CarbonylContact O-C 3.59Å; A431-Q434 PolarHBondContact O-N 3.05Å; A431-L439 HydrophobicContact CB-CD1 4.3Å
432	P	93.9	Very high	93.9	Very high	60 Å²	60	28.4 Å²	28.4	39%	0.39	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-66.7	-18.3	175.4	-21.4	34.1	0	0	0	114.3	Y336 H428	Y336-P432 HydrophobicContact CE2-CB 4.25Å; Y336-P432 HydrophobicContact CE2-CG 4.23Å; H428-P432 WeakPolarHBondContact O-CD 3.49Å
433	L	94.3	Very high	93.7	Very high	53 Å²	53	28.5 Å²	28.5	28%	0.277	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-91.7	-16.4	179.5	-56.8	175.9	0	0	0	112.3	D332 V333 L430 A431	D332-L433 HydrophobicContact CB-CD1 4.07Å; V333-L433 HydrophobicContact CB-CD1 4.33Å; V333-L433 HydrophobicContact CG2-CD1 3.7Å; L430-L433 WeakPolarHBondContact O-CA 3.28Å; L430-L433 WeakPolarHBondContact O-CB 3.49Å; L430-L433 PolarHBondContact O-N 3.38Å; A431-L433 PolarHBondContact O-N 3.15Å
434	Q	93.1	Very high	93.7	Very high	9 Å²	9	27.2 Å²	27.2	4%	0.042	14%	0.143	C	C	.	.			trans	-134.2	61.8	-176.9	-64.2	-63.7	-18.8	0	0	110.5	I253 L430 A431 T436 W437 L439	I253-Q434 VanDerWaalsContact CG2-NE2 3.27Å; L430-Q434 HydrophobicContact CD1-CG 3.88Å; L430-Q434 HydrophobicContact CG-CG 4.15Å; L430-Q434 PolarHBondContact O-N 3.23Å; L430-Q434 VanDerWaalsContact O-N 3.07Å; A431-Q434 CarbonylContact O-C 3.59Å; A431-Q434 PolarHBondContact O-N 3.05Å; Q434-T436 PolarHBondContact O-N 3.47Å; Q434-T436 VanDerWaalsContact O-N 3.08Å; Q434-W437 HydrophobicContact CB-CB 4.23Å; Q434-W437 HydrophobicContact CB-CD2 3.85Å; Q434-W437 HydrophobicContact CB-CE3 3.95Å; Q434-W437 HydrophobicContact CB-CG 3.99Å; Q434-W437 HydrophobicContact CG-CD2 4.11Å; Q434-W437 HydrophobicContact CG-CE3 3.96Å; Q434-W437 HydrophobicContact CG-CH2 4.45Å; Q434-W437 HydrophobicContact CG-CZ3 4.14Å; Q434-W437 PolarHBondContact O-N 2.79Å; Q434-L439 HydrophobicContact CB-CD1 4.14Å
435	E	89.1	Confident	93.5	Very high	172 Å²	172	27 Å²	27	80%	0.804	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.1	-173.9	-62	-179.3	175.1	0	0	114	W437	E435-W437 VanDerWaalsContact C-N 3.31Å
436	T	89.6	Confident	93.1	Very high	63 Å²	63	30.7 Å²	30.7	39%	0.387	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-7.9	-179.8	60.5	0	0	0	0	113.7	Q434	Q434-T436 PolarHBondContact O-N 3.47Å; Q434-T436 VanDerWaalsContact O-N 3.08Å
437	W	92.8	Very high	92.8	Very high	19 Å²	19	31.3 Å²	31.3	7%	0.072	16%	0.162	C	C	.	.	S	Bend	trans	-97.5	136.3	-175.2	-67.5	9.5	0	0	0	110.9	Y387 Q388 A391 L430 Q434 E435 L439 V769	Y387-W437 AromaticContact CD1-CH2 3.84Å; Y387-W437 HydrophobicContact CD1-CH2 3.84Å; Y387-W437 AromaticContact CD1-CZ2 3.94Å; Y387-W437 HydrophobicContact CD1-CZ2 3.94Å; Y387-W437 AromaticContact CE1-CH2 3.71Å; Y387-W437 HydrophobicContact CE1-CH2 3.71Å; Y387-W437 AromaticContact CE1-CZ2 3.69Å; Y387-W437 HydrophobicContact CE1-CZ2 3.69Å; Q388-W437 HydrophobicContact CB-CE3 4.12Å; Q388-W437 HydrophobicContact CB-CZ3 4.01Å; Q388-W437 HydrophobicContact CG-CD2 3.88Å; Q388-W437 HydrophobicContact CG-CE3 3.55Å; Q388-W437 HydrophobicContact CG-CH2 4.14Å; Q388-W437 HydrophobicContact CG-CZ2 4.45Å; Q388-W437 HydrophobicContact CG-CZ3 3.69Å; Q388-W437 VanDerWaalsContact NE2-CG 3.3Å; A391-W437 HydrophobicContact CB-CH2 4.01Å; A391-W437 HydrophobicContact CB-CZ3 3.7Å; L430-W437 HydrophobicContact CD2-CZ3 4.46Å; Q434-W437 HydrophobicContact CB-CB 4.23Å; Q434-W437 HydrophobicContact CB-CD2 3.85Å; Q434-W437 HydrophobicContact CB-CE3 3.95Å; Q434-W437 HydrophobicContact CB-CG 3.99Å; Q434-W437 HydrophobicContact CG-CD2 4.11Å; Q434-W437 HydrophobicContact CG-CE3 3.96Å; Q434-W437 HydrophobicContact CG-CH2 4.45Å; Q434-W437 HydrophobicContact CG-CZ3 4.14Å; Q434-W437 PolarHBondContact O-N 2.79Å; E435-W437 VanDerWaalsContact C-N 3.31Å; W437-L439 HydrophobicContact CB-CD1 4.29Å; W437-L439 HydrophobicContact CB-CG 3.86Å; W437-L439 HydrophobicContact CE3-CD1 4.39Å; W437-L439 HydrophobicContact CE3-CD2 4.16Å; W437-L439 HydrophobicContact CE3-CG 4.43Å; W437-L439 PolarHBondContact O-N 3.24Å; W437-V769 HydrophobicContact CG-CG1 4.44Å
438	P	93	Very high	92.8	Very high	20 Å²	20	31.3 Å²	31.3	13%	0.13	16%	0.163	C	C	.	.			trans	-77.5	52.8	178.5	34.2	-36.9	0	0	0	111.8	R440 E441 M442 Y720 L773	P438-R440 VanDerWaalsContact C-N 3.26Å; P438-R440 PolarHBondContact O-N 3.47Å; P438-E441 HydrophobicContact CB-CB 4.2Å; P438-E441 HydrophobicContact CB-CG 4.32Å; P438-E441 PolarHBondContact O-N 3.33Å; P438-M442 PolarHBondContact O-N 3.4Å; P438-Y720 HydrophobicContact CG-CD1 4.08Å; P438-L773 HydrophobicContact CG-CD1 3.6Å
439	L	93.1	Very high	92.8	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-63.6	-30.8	-174.5	-74.2	173.5	0	0	0	112.8	I427 L430 A431 Q434 W437 M442 Y443	I427-L439 HydrophobicContact CG2-CB 4.18Å; L430-L439 HydrophobicContact CB-CD1 4.17Å; L430-L439 HydrophobicContact CD2-CD1 4Å; L430-L439 HydrophobicContact CD2-CD2 4.32Å; L430-L439 HydrophobicContact CG-CD1 3.82Å; A431-L439 HydrophobicContact CB-CD1 4.3Å; Q434-L439 HydrophobicContact CB-CD1 4.14Å; W437-L439 HydrophobicContact CB-CD1 4.29Å; W437-L439 HydrophobicContact CB-CG 3.86Å; W437-L439 HydrophobicContact CE3-CD1 4.39Å; W437-L439 HydrophobicContact CE3-CD2 4.16Å; W437-L439 HydrophobicContact CE3-CG 4.43Å; W437-L439 PolarHBondContact O-N 3.24Å; L439-M442 HydrophobicContact CD2-CE 3.59Å; L439-Y443 WeakPolarHBondContact O-CB 3Å; L439-Y443 PolarHBondContact O-N 3.48Å
440	R	92	Very high	92.6	Very high	60 Å²	60	30.7 Å²	30.7	23%	0.226	16%	0.164	C	C	.	.	H	α-helix	trans	-70	-42.2	175.6	-168.2	67.9	-176.8	163.9	3.7	112	P438 Y443 L444 S486 N655 E684	P438-R440 VanDerWaalsContact C-N 3.26Å; P438-R440 PolarHBondContact O-N 3.47Å; R440-Y443 WeakPolarHBondContact O-CB 3.37Å; R440-Y443 PolarHBondContact O-N 3.43Å; R440-L444 WeakPolarHBondContact O-CG 3.38Å; R440-L444 PolarHBondContact O-N 3.07Å; R440-S486 PolarHBondContact NH2-OG 3.35Å; R440-N655 PolarHBondContact NH2-OD1 3.3Å; R440-E684 HydrophobicContact CG-CG 3.76Å; R440-E684 WeakPolarHBondContact CG-OE1 3.43Å
441	E	94	Very high	92.5	Very high	11 Å²	11	30.7 Å²	30.7	5%	0.051	16%	0.164	C	C	.	.	H	α-helix	trans	-63.8	-43.8	174.5	-63.8	175.5	-170	0	0	110.9	P438 Y443 L444 L445 S683 L687 H719 G721	P438-E441 HydrophobicContact CB-CB 4.2Å; P438-E441 HydrophobicContact CB-CG 4.32Å; P438-E441 PolarHBondContact O-N 3.33Å; E441-Y443 VanDerWaalsContact C-N 3.33Å; E441-Y443 PolarHBondContact O-N 3.02Å; E441-L444 PolarHBondContact O-N 2.93Å; E441-L445 WeakPolarHBondContact O-CB 3.3Å; E441-L445 WeakPolarHBondContact O-CG 3.46Å; E441-L445 PolarHBondContact O-N 3.37Å; E441-S683 WeakPolarHBondContact OE1-CB 3.33Å; E441-S683 PolarHBondContact OE1-OG 3.37Å; E441-L687 HydrophobicContact CB-CD1 4.5Å; E441-H719 IonicContact OE1-CD2 2.74Å; E441-H719 PolarHBondContact OE1-CD2 3.35Å; E441-H719 IonicContact OE1-CG 3.19Å; E441-G721 WeakPolarHBondContact OE2-CA 3.26Å; E441-G721 PolarHBondContact OE2-N 3.32Å
442	M	91.6	Very high	92.5	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.015	15%	0.15	C	C	.	.	H	α-helix	trans	-59.1	-43.8	175.4	-172.3	-179.1	71.4	0	0	111.7	Q388 F389 L392 P438 L439 L445 K446	Q388-M442 HydrophobicContact CB-SD 4.44Å; F389-M442 HydrophobicContact CD1-SD 4.44Å; F389-M442 HydrophobicContact CE1-SD 4.11Å; F389-M442 HydrophobicContact CE2-SD 4.46Å; F389-M442 HydrophobicContact CZ-CG 4.42Å; F389-M442 HydrophobicContact CZ-SD 4.13Å; L392-M442 HydrophobicContact CD2-CE 3.96Å; P438-M442 PolarHBondContact O-N 3.4Å; L439-M442 HydrophobicContact CD2-CE 3.59Å; M442-L445 PolarHBondContact O-N 3Å; M442-K446 HydrophobicContact CG-CG 4.16Å; M442-K446 VanDerWaalsContact O-CB 3.32Å; M442-K446 WeakPolarHBondContact O-CB 3.48Å; M442-K446 VanDerWaalsContact O-CG 3.28Å; M442-K446 WeakPolarHBondContact O-CG 3.37Å; M442-K446 PolarHBondContact O-N 2.63Å
443	Y	92.3	Very high	92.3	Very high	3 Å²	3	27.6 Å²	27.6	1%	0.012	14%	0.139	C	C	.	.	H	α-helix	trans	-55.9	-50.2	172.9	165.6	-101.9	0	0	0	112.1	Y424 I427 L439 R440 E441 L445 M447 A448 A482 A483 S486	Y424-Y443 HydrophobicContact CD2-CE2 4.16Å; I427-Y443 HydrophobicContact CD1-CD2 3.85Å; I427-Y443 HydrophobicContact CD1-CG 4.21Å; L439-Y443 WeakPolarHBondContact O-CB 3Å; L439-Y443 PolarHBondContact O-N 3.48Å; R440-Y443 WeakPolarHBondContact O-CB 3.37Å; R440-Y443 PolarHBondContact O-N 3.43Å; E441-Y443 VanDerWaalsContact C-N 3.33Å; E441-Y443 PolarHBondContact O-N 3.02Å; Y443-L445 PolarHBondContact O-N 3.45Å; Y443-M447 HydrophobicContact CD2-CB 4.11Å; Y443-M447 HydrophobicContact CD2-CG 4.11Å; Y443-M447 HydrophobicContact CD2-SD 3.43Å; Y443-M447 WeakPolarHBondContact CD2-SD 3.39Å; Y443-M447 HydrophobicContact CE2-CB 4.12Å; Y443-M447 HydrophobicContact CE2-CG 4.48Å; Y443-M447 HydrophobicContact CE2-SD 3.77Å; Y443-M447 WeakPolarHBondContact O-CA 3.39Å; Y443-M447 VanDerWaalsContact O-CB 3.25Å; Y443-M447 WeakPolarHBondContact O-CB 3.41Å; Y443-M447 PolarHBondContact O-N 3.36Å; Y443-A448 HydrophobicContact CE1-CB 4.36Å; Y443-A448 PolarHBondContact O-N 3.5Å; Y443-A482 HydrophobicContact CE2-CB 4.47Å; Y443-A482 PolarHBondContact OH-O 3.2Å; Y443-A483 VanDerWaalsContact OH-CA 3.24Å; Y443-A483 WeakPolarHBondContact OH-CA 3.3Å; Y443-S486 WeakPolarHBondContact OH-CB 3.18Å
444	L	94.4	Very high	92	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.139	C	C	.	.	I	π-helix	trans	-63.2	-43.2	-179	-69.1	175.8	0	0	0	111.6	R440 E441 A448 T449 Q654 E684 L687	R440-L444 WeakPolarHBondContact O-CG 3.38Å; R440-L444 PolarHBondContact O-N 3.07Å; E441-L444 PolarHBondContact O-N 2.93Å; L444-A448 HydrophobicContact CD2-CB 4Å; L444-A448 PolarHBondContact O-N 3.44Å; L444-T449 WeakPolarHBondContact O-CB 3.14Å; L444-T449 WeakPolarHBondContact O-CG2 3.33Å; L444-T449 PolarHBondContact O-N 3.22Å; L444-T449 PolarHBondContact O-OG1 2.93Å; L444-Q654 HydrophobicContact CD1-CB 4Å; L444-Q654 HydrophobicContact CD2-CB 3.88Å; L444-Q654 WeakPolarHBondContact CD2-O 3.35Å; L444-E684 HydrophobicContact CD1-CB 3.59Å; L444-E684 HydrophobicContact CD1-CG 3.59Å; L444-L687 HydrophobicContact CB-CD1 3.94Å; L444-L687 HydrophobicContact CB-CD2 3.86Å; L444-L687 HydrophobicContact CD1-CD1 4.33Å; L444-L687 HydrophobicContact CD1-CD2 4.29Å
445	L	92.6	Very high	91.9	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.026	14%	0.138	C	C	.	.	I	π-helix	trans	-65.1	-44.2	-179.8	-77.7	178.7	0	0	0	113.7	E441 M442 Y443 T449 L687 Y720 A724 L725 R728	E441-L445 WeakPolarHBondContact O-CB 3.3Å; E441-L445 WeakPolarHBondContact O-CG 3.46Å; E441-L445 PolarHBondContact O-N 3.37Å; M442-L445 PolarHBondContact O-N 3Å; Y443-L445 PolarHBondContact O-N 3.45Å; L445-T449 PolarHBondContact O-OG1 3.41Å; L445-L687 HydrophobicContact CD2-CD1 4.14Å; L445-L687 HydrophobicContact CG-CD1 4.04Å; L445-Y720 HydrophobicContact CD1-CD1 4.37Å; L445-Y720 HydrophobicContact CD1-CE1 3.63Å; L445-A724 HydrophobicContact CD1-CB 4.04Å; L445-L725 HydrophobicContact CD2-CB 3.65Å; L445-L725 HydrophobicContact CD2-CD1 4.01Å; L445-L725 HydrophobicContact CD2-CG 4.39Å; L445-R728 PolarHBondContact O-NH1 3.36Å; L445-R728 VanDerWaalsContact O-NH1 3.14Å
446	K	88.5	Confident	91.9	Very high	77 Å²	77	19.6 Å²	19.6	34%	0.335	10%	0.102	S	C	.	.	I	π-helix	trans	-97.3	-16.5	-167.7	-57.4	-72	-174.7	174.7	0	113	E385 F389 M442 Q479	E385-K446 WeakPolarHBondContact OE1-CE 3.44Å; E385-K446 IonicContact OE1-NZ 3.94Å; E385-K446 PolarHBondContact OE1-NZ 3.16Å; F389-K446 HydrophobicContact CZ-CD 4.06Å; F389-K446 HydrophobicContact CZ-CG 3.96Å; M442-K446 HydrophobicContact CG-CG 4.16Å; M442-K446 VanDerWaalsContact O-CB 3.32Å; M442-K446 WeakPolarHBondContact O-CB 3.48Å; M442-K446 VanDerWaalsContact O-CG 3.28Å; M442-K446 WeakPolarHBondContact O-CG 3.37Å; M442-K446 PolarHBondContact O-N 2.63Å; K446-Q479 PolarHBondContact O-NE2 3.42Å
447	M	90.9	Very high	91.3	Very high	13 Å²	13	18.5 Å²	18.5	6%	0.064	9%	0.093	C	C	.	.	I	π-helix	trans	-123	-68.8	-176.9	-48.2	-173.1	78	0	0	111.8	Q423 I427 Y443 A451 Q479 A482	Q423-M447 HydrophobicContact CB-CE 3.46Å; Q423-M447 VanDerWaalsContact CB-CE 3.46Å; Q423-M447 HydrophobicContact CB-SD 4.49Å; Q423-M447 HydrophobicContact CG-CE 4.26Å; I427-M447 HydrophobicContact CD1-SD 3.96Å; Y443-M447 HydrophobicContact CD2-CB 4.11Å; Y443-M447 HydrophobicContact CD2-CG 4.11Å; Y443-M447 HydrophobicContact CD2-SD 3.43Å; Y443-M447 WeakPolarHBondContact CD2-SD 3.39Å; Y443-M447 HydrophobicContact CE2-CB 4.12Å; Y443-M447 HydrophobicContact CE2-CG 4.48Å; Y443-M447 HydrophobicContact CE2-SD 3.77Å; Y443-M447 WeakPolarHBondContact O-CA 3.39Å; Y443-M447 VanDerWaalsContact O-CB 3.25Å; Y443-M447 WeakPolarHBondContact O-CB 3.41Å; Y443-M447 PolarHBondContact O-N 3.36Å; M447-A451 VanDerWaalsContact O-CB 3.25Å; M447-A451 WeakPolarHBondContact O-CB 3.35Å; M447-A451 PolarHBondContact O-N 3.46Å; M447-Q479 HydrophobicContact CB-CB 4.47Å; M447-A482 HydrophobicContact CE-CB 3.38Å; M447-A482 HydrophobicContact SD-CB 4.38Å
448	A	94.5	Very high	90.1	Very high	9 Å²	9	20 Å²	20	7%	0.074	10%	0.101	C	C	.	.	I	π-helix	trans	-67.3	-56.4	-168.8	0	0	0	0	0	112.7	Y443 L444 A451 L452 A483	Y443-A448 HydrophobicContact CE1-CB 4.36Å; Y443-A448 PolarHBondContact O-N 3.5Å; L444-A448 HydrophobicContact CD2-CB 4Å; L444-A448 PolarHBondContact O-N 3.44Å; A448-A451 PolarHBondContact O-N 3.18Å; A448-L452 WeakPolarHBondContact O-CG 3.02Å; A448-L452 PolarHBondContact O-N 3.1Å; A448-A483 HydrophobicContact CB-CB 4.27Å
449	T	94.3	Very high	88.5	Confident	7 Å²	7	21.5 Å²	21.5	4%	0.043	12%	0.12	C	C	.	.	H	α-helix	trans	-69.6	-37	-179.3	61.3	0	0	0	0	112	L444 L445 A451 L452 D453 L687	L444-T449 WeakPolarHBondContact O-CB 3.14Å; L444-T449 WeakPolarHBondContact O-CG2 3.33Å; L444-T449 PolarHBondContact O-N 3.22Å; L444-T449 PolarHBondContact O-OG1 2.93Å; L445-T449 PolarHBondContact O-OG1 3.41Å; T449-A451 VanDerWaalsContact C-N 3.35Å; T449-A451 PolarHBondContact O-N 2.97Å; T449-L452 PolarHBondContact O-N 2.87Å; T449-D453 WeakPolarHBondContact O-CB 3.45Å; T449-D453 VanDerWaalsContact O-CG 3.24Å; T449-D453 PolarHBondContact O-N 2.85Å; T449-L687 HydrophobicContact CG2-CD2 3.74Å
450	A	90.6	Very high	87.4	Confident	18 Å²	18	23.4 Å²	23.4	15%	0.149	13%	0.127	C	C	.	.	H	α-helix	trans	-58.6	-46.1	174.9	0	0	0	0	0	111.6	I454	A450-I454 WeakPolarHBondContact O-CB 3.12Å; A450-I454 VanDerWaalsContact O-CG1 3.3Å; A450-I454 WeakPolarHBondContact O-CG1 3.17Å; A450-I454 PolarHBondContact O-N 3.26Å; A450-I454 VanDerWaalsContact O-N 3.15Å
451	A	93.4	Very high	86.8	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.2	-43.5	174.4	0	0	0	0	0	111.7	M447 A448 T449 D453 I454 D455 F476 Q479 K480 Y657	M447-A451 VanDerWaalsContact O-CB 3.25Å; M447-A451 WeakPolarHBondContact O-CB 3.35Å; M447-A451 PolarHBondContact O-N 3.46Å; A448-A451 PolarHBondContact O-N 3.18Å; T449-A451 VanDerWaalsContact C-N 3.35Å; T449-A451 PolarHBondContact O-N 2.97Å; A451-D453 VanDerWaalsContact C-N 3.32Å; A451-D453 PolarHBondContact O-N 3.48Å; A451-I454 PolarHBondContact O-N 2.9Å; A451-D455 WeakPolarHBondContact O-CB 3.22Å; A451-D455 PolarHBondContact O-N 3.22Å; A451-F476 HydrophobicContact CB-CD2 4.19Å; A451-F476 HydrophobicContact CB-CE2 4.11Å; A451-F476 WeakPolarHBondContact O-CE2 3.29Å; A451-Q479 HydrophobicContact CB-CB 3.95Å; A451-K480 HydrophobicContact CB-CB 4.28Å; A451-Y657 VanDerWaalsContact C-OH 3.3Å; A451-Y657 HydrophobicContact CB-CE2 3.91Å; A451-Y657 WeakPolarHBondContact CB-OH 3.19Å; A451-Y657 PolarHBondContact O-OH 3.08Å
452	L	94.4	Very high	86.5	Confident	8 Å²	8	24.4 Å²	24.4	4%	0.042	14%	0.138	C	C	.	.	H	α-helix	trans	-59.8	-40.3	177.2	-76.3	169.6	0	0	0	112.7	A448 T449 D455 A456 F545 Y657 R659	A448-L452 WeakPolarHBondContact O-CG 3.02Å; A448-L452 PolarHBondContact O-N 3.1Å; T449-L452 PolarHBondContact O-N 2.87Å; L452-D455 PolarHBondContact O-N 2.75Å; L452-A456 WeakPolarHBondContact O-CB 3.24Å; L452-A456 PolarHBondContact O-N 2.04Å; L452-F545 HydrophobicContact CD2-CB 4.48Å; L452-F545 HydrophobicContact CD2-CD1 3.95Å; L452-F545 HydrophobicContact CD2-CD2 3.69Å; L452-F545 HydrophobicContact CD2-CE1 4.06Å; L452-F545 HydrophobicContact CD2-CE2 3.83Å; L452-F545 HydrophobicContact CD2-CG 3.77Å; L452-F545 HydrophobicContact CD2-CZ 4Å; L452-Y657 HydrophobicContact CD1-CD2 4.48Å; L452-Y657 HydrophobicContact CD2-CD1 4.09Å; L452-Y657 HydrophobicContact CD2-CD2 3.84Å; L452-Y657 HydrophobicContact CD2-CE1 3.91Å; L452-Y657 HydrophobicContact CD2-CE2 3.7Å; L452-Y657 HydrophobicContact CD2-CG 4.07Å; L452-Y657 HydrophobicContact CG-CD2 3.88Å; L452-Y657 HydrophobicContact CG-CE2 3.59Å; L452-R659 HydrophobicContact CD1-CG 4.49Å
453	D	90.7	Very high	86.5	Confident	27 Å²	27	24.2 Å²	24.2	14%	0.144	14%	0.137	C	C	.	.	H	α-helix	trans	-65.9	-41.3	178.1	-71.7	-21.4	0	0	0	111.9	T449 A451 R659 T695 R728 H729	T449-D453 WeakPolarHBondContact O-CB 3.45Å; T449-D453 VanDerWaalsContact O-CG 3.24Å; T449-D453 PolarHBondContact O-N 2.85Å; A451-D453 VanDerWaalsContact C-N 3.32Å; A451-D453 PolarHBondContact O-N 3.48Å; D453-R659 IonicContact OD1-CZ 2.85Å; D453-R659 IonicContact OD1-NH2 2.72Å; D453-R659 PolarHBondContact OD1-NH2 3.38Å; D453-T695 PolarHBondContact OD1-OG1 3.47Å; D453-R728 IonicContact OD2-NH2 2.61Å; D453-R728 PolarHBondContact OD2-NH2 3.04Å; D453-H729 IonicContact OD2-CE1 2.67Å; D453-H729 IonicContact OD2-NE2 3.75Å
454	I	87.8	Confident	86.3	Confident	56 Å²	56	25.8 Å²	25.8	29%	0.287	15%	0.145	S	C	.	.	H	α-helix	trans	-67.2	-41.4	176.3	-72.7	172	0	0	0	110.8	A450 A451 Q458 W460 F476	A450-I454 WeakPolarHBondContact O-CB 3.12Å; A450-I454 VanDerWaalsContact O-CG1 3.3Å; A450-I454 WeakPolarHBondContact O-CG1 3.17Å; A450-I454 PolarHBondContact O-N 3.26Å; A450-I454 VanDerWaalsContact O-N 3.15Å; A451-I454 PolarHBondContact O-N 2.9Å; I454-Q458 PolarHBondContact O-NE2 2.89Å; I454-W460 HydrophobicContact CG2-CZ2 3.9Å; I454-W460 PolarHBondContact O-NE1 3.34Å; I454-F476 HydrophobicContact CB-CD2 3.83Å; I454-F476 HydrophobicContact CB-CE2 4.09Å; I454-F476 HydrophobicContact CD1-CD2 4.46Å; I454-F476 HydrophobicContact CG2-CB 4.35Å; I454-F476 HydrophobicContact CG2-CD2 3.3Å; I454-F476 HydrophobicContact CG2-CE2 3.7Å; I454-F476 HydrophobicContact CG2-CG 3.86Å
455	D	90.9	Very high	85.8	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-71.4	-32.2	-179.7	-151.1	9.6	0	0	0	112.8	A451 L452 I457 Q458 G459 W460 F476 K480 G544 F545	A451-D455 WeakPolarHBondContact O-CB 3.22Å; A451-D455 PolarHBondContact O-N 3.22Å; L452-D455 PolarHBondContact O-N 2.75Å; D455-I457 VanDerWaalsContact C-N 3.32Å; D455-I457 PolarHBondContact O-N 3.39Å; D455-Q458 PolarHBondContact O-N 3Å; D455-G459 PolarHBondContact O-N 3.34Å; D455-W460 PolarHBondContact OD1-N 3.15Å; D455-F476 HydrophobicContact CB-CE2 3.88Å; D455-F476 HydrophobicContact CB-CZ 3.84Å; D455-K480 IonicContact OD2-NZ 2.71Å; D455-K480 PolarHBondContact OD2-NZ 3.22Å; D455-G544 WeakPolarHBondContact OD2-CA 3.3Å; D455-F545 HydrophobicContact CB-CD1 3.76Å; D455-F545 HydrophobicContact CB-CE1 3.76Å
456	A	88	Confident	85.3	Confident	6 Å²	6	29.7 Å²	29.7	5%	0.05	17%	0.167	C	C	.	.	H	α-helix	trans	-62.3	-35.8	178.8	0	0	0	0	0	113.2	L452 F545 F564 P566 T695	L452-A456 WeakPolarHBondContact O-CB 3.24Å; L452-A456 PolarHBondContact O-N 2.04Å; A456-F545 HydrophobicContact CB-CE1 4.26Å; A456-F545 HydrophobicContact CB-CZ 4.1Å; A456-F564 HydrophobicContact CB-CD1 3.93Å; A456-F564 HydrophobicContact CB-CE1 3.38Å; A456-F564 HydrophobicContact CB-CZ 3.78Å; A456-F564 WeakPolarHBondContact O-CE1 3.32Å; A456-P566 WeakPolarHBondContact O-CD 3.27Å; A456-P566 VanDerWaalsContact O-CG 3.31Å; A456-P566 WeakPolarHBondContact O-CG 3.44Å; A456-T695 HydrophobicContact CB-CG2 4.05Å
457	I	76.9	Confident	85.2	Confident	40 Å²	40	26.3 Å²	26.3	21%	0.205	15%	0.153	C	C	.	.	H	α-helix	trans	-85.2	-30.9	-175.2	-63.7	171.3	0	0	0	111.8	D455	D455-I457 VanDerWaalsContact C-N 3.32Å; D455-I457 PolarHBondContact O-N 3.39Å
458	Q	67.6	Low	84.9	Confident	51 Å²	51	27.8 Å²	27.8	24%	0.238	17%	0.165	C	C	.	.	H	α-helix	trans	-112.4	-27.3	-163.1	-72.1	172.9	78.7	0	0	114.4	I454 D455 W460 M958	I454-Q458 PolarHBondContact O-NE2 2.89Å; D455-Q458 PolarHBondContact O-N 3Å; Q458-W460 HydrophobicContact CB-CG 4.32Å; Q458-W460 VanDerWaalsContact CD-CZ2 3.48Å; Q458-M958 HydrophobicContact CG-CB 3.97Å; Q458-M958 HydrophobicContact CG-CG 3.78Å; Q458-M958 VanDerWaalsContact NE2-CG 3.28Å; Q458-M958 PolarHBondContact NE2-SD 3.23Å
459	G	59.4	Low	84.2	Confident	51 Å²	51	35 Å²	35	53%	0.526	20%	0.196	S	C	.	.			trans	57	61.2	-168.4	0	0	0	0	0	110.8	D455	D455-G459 PolarHBondContact O-N 3.34Å
460	W	70.6	Confident	83.4	Confident	43 Å²	43	39.7 Å²	39.7	16%	0.163	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-60.6	153.7	-174.6	-75.8	78.7	0	0	0	111.9	I454 D455 Q458 E474 F476 F477 P543 G544	I454-W460 HydrophobicContact CG2-CZ2 3.9Å; I454-W460 PolarHBondContact O-NE1 3.34Å; D455-W460 PolarHBondContact OD1-N 3.15Å; Q458-W460 HydrophobicContact CB-CG 4.32Å; Q458-W460 VanDerWaalsContact CD-CZ2 3.48Å; W460-E474 WeakPolarHBondContact CZ3-OE2 3.47Å; W460-F476 HydrophobicContact CB-CD1 4.35Å; W460-F476 HydrophobicContact CB-CE1 3.41Å; W460-F476 VanDerWaalsContact CB-CE1 3.41Å; W460-F476 HydrophobicContact CB-CZ 3.77Å; W460-F476 AromaticContact CD1-CE1 3.75Å; W460-F476 AromaticContact CD1-CZ 3.63Å; W460-F476 AromaticContact CD2-CD1 3.69Å; W460-F476 HydrophobicContact CD2-CD1 3.69Å; W460-F476 AromaticContact CD2-CE1 3.64Å; W460-F476 HydrophobicContact CD2-CE1 3.64Å; W460-F476 HydrophobicContact CD2-CG 4.42Å; W460-F476 HydrophobicContact CD2-CZ 4.3Å; W460-F476 HydrophobicContact CE3-CD1 4.01Å; W460-F476 HydrophobicContact CE3-CE1 4.2Å; W460-F476 AromaticContact CG-CD1 3.87Å; W460-F476 HydrophobicContact CG-CD1 3.87Å; W460-F476 AromaticContact CG-CE1 3.28Å; W460-F476 HydrophobicContact CG-CE1 3.28Å; W460-F476 HydrophobicContact CG-CE2 4.45Å; W460-F476 AromaticContact CG-CZ 3.61Å; W460-F476 HydrophobicContact CG-CZ 3.61Å; W460-F477 AromaticContact CE3-CE2 3.97Å; W460-F477 HydrophobicContact CE3-CE2 3.97Å; W460-F477 AromaticContact CE3-CZ 3.79Å; W460-F477 HydrophobicContact CE3-CZ 3.79Å; W460-F477 HydrophobicContact CZ3-CE2 4.19Å; W460-F477 HydrophobicContact CZ3-CZ 4.46Å; W460-P543 WeakPolarHBondContact O-CA 3.4Å; W460-P543 WeakPolarHBondContact O-CB 3.2Å; W460-G544 PolarHBondContact O-N 2.87Å
461	D	79.3	Confident	82.9	Confident	83 Å²	83	39.2 Å²	39.2	44%	0.444	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-59	170.7	175.5	-153.5	-12.1	0	0	0	112.1	N465 F477	D461-N465 HydrophobicContact CB-CB 4.42Å; D461-N465 VanDerWaalsContact CG-ND2 3.29Å; D461-N465 PolarHBondContact OD1-ND2 3.26Å; D461-N465 PolarHBondContact OD2-ND2 3.03Å; D461-F477 WeakPolarHBondContact O-CE1 3.35Å
462	S	88.1	Confident	82.3	Confident	8 Å²	8	43.9 Å²	43.9	6%	0.056	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-50.3	142.5	169.7	160.2	0	0	0	0	112.5	M464 N465 T540 H541	S462-M464 PolarHBondContact O-N 3.37Å; S462-M464 VanDerWaalsContact O-N 3.12Å; S462-M464 WeakPolarHBondContact OG-CB 3.3Å; S462-M464 PolarHBondContact OG-N 3.16Å; S462-N465 PolarHBondContact O-N 2.85Å; S462-T540 PolarHBondContact OG-O 2.9Å; S462-H541 VanDerWaalsContact CB-O 3.31Å; S462-H541 WeakPolarHBondContact CB-O 3.46Å; S462-H541 VanDerWaalsContact OG-CA 3.3Å; S462-H541 WeakPolarHBondContact OG-CA 3.27Å; S462-H541 PolarHBondContact OG-O 3.15Å
463	I	90.6	Very high	81.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-55.6	-33.5	175.6	-60.9	175.3	0	0	0	111.4	W416 N465 G466 F477 K480 T481 I484 T540	W416-I463 HydrophobicContact CB-CG2 4.14Å; W416-I463 HydrophobicContact CD2-CG2 3.52Å; W416-I463 HydrophobicContact CE3-CG2 3.4Å; W416-I463 HydrophobicContact CG-CG2 3.85Å; W416-I463 HydrophobicContact CZ3-CG2 4.03Å; I463-N465 PolarHBondContact O-N 3.15Å; I463-G466 PolarHBondContact O-N 3.34Å; I463-F477 HydrophobicContact CB-CD1 4.49Å; I463-F477 HydrophobicContact CG1-CD1 4.34Å; I463-K480 HydrophobicContact CD1-CD 4.18Å; I463-K480 HydrophobicContact CD1-CG 3.93Å; I463-K480 HydrophobicContact CG1-CD 4.13Å; I463-K480 HydrophobicContact CG1-CG 4.35Å; I463-T481 WeakPolarHBondContact CG2-OG1 3.28Å; I463-I484 HydrophobicContact CD1-CD1 3.25Å; I463-T540 PolarHBondContact N-O 3.45Å; I463-T540 VanDerWaalsContact N-O 3.12Å
464	M	87.8	Confident	81.5	Confident	35 Å²	35	48.5 Å²	48.5	17%	0.172	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-59.1	-18.9	175.8	-61.5	-57.5	-62.4	0	0	114.2	K413 W416 S462 T540	K413-M464 WeakPolarHBondContact CE-O 3.45Å; W416-M464 HydrophobicContact CZ2-SD 3.51Å; W416-M464 VanDerWaalsContact CZ2-SD 3.51Å; S462-M464 PolarHBondContact O-N 3.37Å; S462-M464 VanDerWaalsContact O-N 3.12Å; S462-M464 WeakPolarHBondContact OG-CB 3.3Å; S462-M464 PolarHBondContact OG-N 3.16Å; M464-T540 WeakPolarHBondContact CG-O 3.32Å; M464-T540 PolarHBondContact N-O 2.78Å
465	N	85.6	Confident	81.5	Confident	84 Å²	84	52.4 Å²	52.4	45%	0.449	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-99.3	-5.2	176.7	-68.3	-13.8	0	0	0	112.7	D461 S462 I463 T467	D461-N465 HydrophobicContact CB-CB 4.42Å; D461-N465 VanDerWaalsContact CG-ND2 3.29Å; D461-N465 PolarHBondContact OD1-ND2 3.26Å; D461-N465 PolarHBondContact OD2-ND2 3.03Å; S462-N465 PolarHBondContact O-N 2.85Å; I463-N465 PolarHBondContact O-N 3.15Å; N465-T467 VanDerWaalsContact C-N 3.26Å; N465-T467 PolarHBondContact O-N 3.48Å
466	G	82.1	Confident	81.4	Confident	5 Å²	5	52.7 Å²	52.7	5%	0.052	28%	0.283	C	S	.	.	S	Bend	trans	-77.4	-5.3	-178.9	0	0	0	0	0	116	I463 E474	I463-G466 PolarHBondContact O-N 3.34Å; G466-E474 PolarHBondContact O-N 3.29Å
467	T	85.6	Confident	81.6	Confident	6 Å²	6	52.8 Å²	52.8	4%	0.037	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-113.2	124.8	176.8	-51.6	0	0	0	0	109.9	L412 K413 V415 W416 N465 N473	L412-T467 VanDerWaalsContact O-CG2 3.24Å; L412-T467 WeakPolarHBondContact O-CG2 3.31Å; K413-T467 VanDerWaalsContact O-CB 3.26Å; K413-T467 WeakPolarHBondContact O-CB 3.3Å; K413-T467 PolarHBondContact O-OG1 3.48Å; V415-T467 HydrophobicContact CB-CG2 4.13Å; W416-T467 WeakPolarHBondContact CB-OG1 3.46Å; N465-T467 VanDerWaalsContact C-N 3.26Å; N465-T467 PolarHBondContact O-N 3.48Å; T467-N473 WeakPolarHBondContact CA-OD1 3.14Å; T467-N473 WeakPolarHBondContact CB-OD1 3.22Å; T467-N473 WeakPolarHBondContact CG2-OD1 3.4Å; T467-N473 PolarHBondContact OG1-OD1 3.07Å
468	S	84.9	Confident	82.3	Confident	44 Å²	44	51.2 Å²	51.2	31%	0.308	28%	0.275	S	S	.	.			trans	-65.4	165.1	173.8	81.5	0	0	0	0	111.8	D470 G471 N472	S468-D470 PolarHBondContact O-N 3.17Å; S468-D470 VanDerWaalsContact O-N 3.14Å; S468-D470 PolarHBondContact OG-N 3.26Å; S468-G471 PolarHBondContact O-N 3.48Å; S468-G471 PolarHBondContact OG-N 3.44Å; S468-N472 PolarHBondContact N-O 3.19Å; S468-N472 PolarHBondContact OG-N 2.83Å; S468-N472 VanDerWaalsContact OG-N 3.15Å
469	H	80.6	Confident	83.6	Confident	160 Å²	160	49.6 Å²	49.6	74%	0.741	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.2	174.4	-71.6	-68.6	0	0	0	113.4	G471	H469-G471 VanDerWaalsContact C-N 3.3Å
470	D	77.2	Confident	85.3	Confident	106 Å²	106	47.2 Å²	47.2	57%	0.567	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.3	177.7	-53.3	-44.2	0	0	0	112.8	S468	S468-D470 PolarHBondContact O-N 3.17Å; S468-D470 VanDerWaalsContact O-N 3.14Å; S468-D470 PolarHBondContact OG-N 3.26Å
471	G	78.6	Confident	86.5	Confident	8 Å²	8	45.2 Å²	45.2	8%	0.082	24%	0.235	C	C	.	.			trans	83.7	15.2	178	0	0	0	0	0	114.7	L412 S468 H469	L412-G471 WeakPolarHBondContact O-CA 3.03Å; S468-G471 PolarHBondContact O-N 3.48Å; S468-G471 PolarHBondContact OG-N 3.44Å; H469-G471 VanDerWaalsContact C-N 3.3Å
472	N	82.6	Confident	87.3	Confident	98 Å²	98	41.3 Å²	41.3	52%	0.524	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-81.6	124.8	173.3	-67.6	-31.3	0	0	0	109.4	S468	S468-N472 PolarHBondContact N-O 3.19Å; S468-N472 PolarHBondContact OG-N 2.83Å; S468-N472 VanDerWaalsContact OG-N 3.15Å
473	N	84.5	Confident	87.6	Confident	40 Å²	40	41 Å²	41	21%	0.214	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-99.2	141	175.6	-72.1	-21.1	0	0	0	110.7	W416 T467 V478	W416-N473 VanDerWaalsContact CA-ND2 3.34Å; W416-N473 WeakPolarHBondContact CA-ND2 3.48Å; W416-N473 PolarHBondContact N-ND2 3.46Å; T467-N473 WeakPolarHBondContact CA-OD1 3.14Å; T467-N473 WeakPolarHBondContact CB-OD1 3.22Å; T467-N473 WeakPolarHBondContact CG2-OD1 3.4Å; T467-N473 PolarHBondContact OG1-OD1 3.07Å; N473-V478 HydrophobicContact CB-CG2 3.68Å
474	E	83.1	Confident	87.9	Confident	92 Å²	92	41.2 Å²	41.2	43%	0.43	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-76.7	143.6	161.6	-51.4	-175.8	-177.1	0	0	110.2	W460 G466 F476 F477 V478	W460-E474 WeakPolarHBondContact CZ3-OE2 3.47Å; G466-E474 PolarHBondContact O-N 3.29Å; E474-F476 VanDerWaalsContact C-N 3.29Å; E474-F476 PolarHBondContact O-N 3.32Å; E474-F477 HydrophobicContact CB-CD2 4Å; E474-F477 HydrophobicContact CB-CE2 4.5Å; E474-F477 PolarHBondContact O-N 3.26Å; E474-V478 PolarHBondContact O-N 3.34Å
475	E	86.5	Confident	88.3	Confident	137 Å²	137	39.7 Å²	39.7	64%	0.64	21%	0.205	S	C	*	.	H	α-helix	trans	-58	-40.1	-173	-171.8	178.9	178.9	0	0	112.7	F477 V478 Q479	E475-F477 VanDerWaalsContact C-N 3.34Å; E475-F477 PolarHBondContact O-N 3.1Å; E475-V478 WeakPolarHBondContact O-CB 3.33Å; E475-V478 PolarHBondContact O-N 2.99Å; E475-V478 VanDerWaalsContact O-N 3.12Å; E475-Q479 HydrophobicContact CG-CG 4.41Å; E475-Q479 WeakPolarHBondContact O-CG 3.37Å; E475-Q479 PolarHBondContact O-N 2.81Å; E475-Q479 PolarHBondContact OE1-NE2 2.65Å
476	F	89.9	Confident	88.7	Confident	10 Å²	10	35.7 Å²	35.7	4%	0.044	18%	0.184	C	C	.	.	H	α-helix	trans	-52.5	-47.9	177.1	162.9	-103.4	0	0	0	112.6	A451 I454 D455 W460 E474 V478 Q479 K480	A451-F476 HydrophobicContact CB-CD2 4.19Å; A451-F476 HydrophobicContact CB-CE2 4.11Å; A451-F476 WeakPolarHBondContact O-CE2 3.29Å; I454-F476 HydrophobicContact CB-CD2 3.83Å; I454-F476 HydrophobicContact CB-CE2 4.09Å; I454-F476 HydrophobicContact CD1-CD2 4.46Å; I454-F476 HydrophobicContact CG2-CB 4.35Å; I454-F476 HydrophobicContact CG2-CD2 3.3Å; I454-F476 HydrophobicContact CG2-CE2 3.7Å; I454-F476 HydrophobicContact CG2-CG 3.86Å; D455-F476 HydrophobicContact CB-CE2 3.88Å; D455-F476 HydrophobicContact CB-CZ 3.84Å; W460-F476 HydrophobicContact CB-CD1 4.35Å; W460-F476 HydrophobicContact CB-CE1 3.41Å; W460-F476 VanDerWaalsContact CB-CE1 3.41Å; W460-F476 HydrophobicContact CB-CZ 3.77Å; W460-F476 AromaticContact CD1-CE1 3.75Å; W460-F476 AromaticContact CD1-CZ 3.63Å; W460-F476 AromaticContact CD2-CD1 3.69Å; W460-F476 HydrophobicContact CD2-CD1 3.69Å; W460-F476 AromaticContact CD2-CE1 3.64Å; W460-F476 HydrophobicContact CD2-CE1 3.64Å; W460-F476 HydrophobicContact CD2-CG 4.42Å; W460-F476 HydrophobicContact CD2-CZ 4.3Å; W460-F476 HydrophobicContact CE3-CD1 4.01Å; W460-F476 HydrophobicContact CE3-CE1 4.2Å; W460-F476 AromaticContact CG-CD1 3.87Å; W460-F476 HydrophobicContact CG-CD1 3.87Å; W460-F476 AromaticContact CG-CE1 3.28Å; W460-F476 HydrophobicContact CG-CE1 3.28Å; W460-F476 HydrophobicContact CG-CE2 4.45Å; W460-F476 AromaticContact CG-CZ 3.61Å; W460-F476 HydrophobicContact CG-CZ 3.61Å; E474-F476 VanDerWaalsContact C-N 3.29Å; E474-F476 PolarHBondContact O-N 3.32Å; F476-V478 VanDerWaalsContact C-N 3.29Å; F476-V478 PolarHBondContact O-N 3.02Å; F476-Q479 PolarHBondContact O-N 3.47Å; F476-K480 HydrophobicContact CE1-CD 4.38Å; F476-K480 HydrophobicContact CZ-CD 3.92Å; F476-K480 WeakPolarHBondContact O-CB 3.43Å; F476-K480 PolarHBondContact O-N 2.75Å
477	F	91.2	Very high	89.3	Confident	7 Å²	7	35.5 Å²	35.5	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-67.3	-32.6	-178.2	-70.1	-71.6	0	0	0	112.2	W460 D461 I463 E474 E475 T481	W460-F477 AromaticContact CE3-CE2 3.97Å; W460-F477 HydrophobicContact CE3-CE2 3.97Å; W460-F477 AromaticContact CE3-CZ 3.79Å; W460-F477 HydrophobicContact CE3-CZ 3.79Å; W460-F477 HydrophobicContact CZ3-CE2 4.19Å; W460-F477 HydrophobicContact CZ3-CZ 4.46Å; D461-F477 WeakPolarHBondContact O-CE1 3.35Å; I463-F477 HydrophobicContact CB-CD1 4.49Å; I463-F477 HydrophobicContact CG1-CD1 4.34Å; E474-F477 HydrophobicContact CB-CD2 4Å; E474-F477 HydrophobicContact CB-CE2 4.5Å; E474-F477 PolarHBondContact O-N 3.26Å; E475-F477 VanDerWaalsContact C-N 3.34Å; E475-F477 PolarHBondContact O-N 3.1Å; F477-T481 VanDerWaalsContact O-CB 3.3Å; F477-T481 WeakPolarHBondContact O-CB 3.35Å; F477-T481 PolarHBondContact O-N 3.38Å; F477-T481 PolarHBondContact O-OG1 2.95Å
478	V	93.3	Very high	89.8	Confident	8 Å²	8	35.3 Å²	35.3	5%	0.048	18%	0.181	C	C	.	.	H	α-helix	trans	-67.6	-44.9	174.7	-173.5	0	0	0	0	110.5	E419 Q423 N473 E474 E475 F476 T481 A482	E419-V478 HydrophobicContact CB-CG1 3.69Å; E419-V478 HydrophobicContact CB-CG2 3.96Å; Q423-V478 VanDerWaalsContact CD-CG1 3.43Å; Q423-V478 HydrophobicContact CG-CG1 4.29Å; Q423-V478 VanDerWaalsContact OE1-CG1 3.32Å; N473-V478 HydrophobicContact CB-CG2 3.68Å; E474-V478 PolarHBondContact O-N 3.34Å; E475-V478 WeakPolarHBondContact O-CB 3.33Å; E475-V478 PolarHBondContact O-N 2.99Å; E475-V478 VanDerWaalsContact O-N 3.12Å; F476-V478 VanDerWaalsContact C-N 3.29Å; F476-V478 PolarHBondContact O-N 3.02Å; V478-T481 WeakPolarHBondContact O-CB 3.4Å; V478-T481 PolarHBondContact O-N 2.79Å; V478-A482 PolarHBondContact O-N 3.2Å
479	Q	94	Very high	90.2	Very high	17 Å²	17	34 Å²	34	8%	0.079	17%	0.17	C	C	.	.	H	α-helix	trans	-61.3	-46.4	176.2	-67.6	171.5	-4.4	0	0	111.8	K446 M447 A451 E475 F476 T481 A482 A483	K446-Q479 PolarHBondContact O-NE2 3.42Å; M447-Q479 HydrophobicContact CB-CB 4.47Å; A451-Q479 HydrophobicContact CB-CB 3.95Å; E475-Q479 HydrophobicContact CG-CG 4.41Å; E475-Q479 WeakPolarHBondContact O-CG 3.37Å; E475-Q479 PolarHBondContact O-N 2.81Å; E475-Q479 PolarHBondContact OE1-NE2 2.65Å; F476-Q479 PolarHBondContact O-N 3.47Å; Q479-T481 VanDerWaalsContact C-N 3.32Å; Q479-T481 PolarHBondContact O-N 3.26Å; Q479-A482 PolarHBondContact O-N 3.41Å; Q479-A483 PolarHBondContact O-N 3.07Å
480	K	94.9	Very high	90.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.2	-41.4	174.6	-178.7	168.4	-179.8	167	0	111.6	A451 D455 I463 F476 A483 I484 G544 Y657	A451-K480 HydrophobicContact CB-CB 4.28Å; D455-K480 IonicContact OD2-NZ 2.71Å; D455-K480 PolarHBondContact OD2-NZ 3.22Å; I463-K480 HydrophobicContact CD1-CD 4.18Å; I463-K480 HydrophobicContact CD1-CG 3.93Å; I463-K480 HydrophobicContact CG1-CD 4.13Å; I463-K480 HydrophobicContact CG1-CG 4.35Å; F476-K480 HydrophobicContact CE1-CD 4.38Å; F476-K480 HydrophobicContact CZ-CD 3.92Å; F476-K480 WeakPolarHBondContact O-CB 3.43Å; F476-K480 PolarHBondContact O-N 2.75Å; K480-A483 WeakPolarHBondContact O-CB 3.47Å; K480-A483 PolarHBondContact O-N 3.45Å; K480-I484 HydrophobicContact CG-CD1 3.99Å; K480-I484 WeakPolarHBondContact O-CG1 3.37Å; K480-I484 PolarHBondContact O-N 3.21Å; K480-G544 PolarHBondContact NZ-O 3.21Å; K480-Y657 HydrophobicContact CD-CE1 3.88Å; K480-Y657 HydrophobicContact CG-CD1 4.47Å; K480-Y657 HydrophobicContact CG-CE1 3.78Å; K480-Y657 HydrophobicContact CG-CE2 4.35Å
481	T	95.6	Very high	91.4	Very high	2 Å²	2	24 Å²	24	1%	0.012	13%	0.125	C	C	.	.	H	α-helix	trans	-63.4	-44.9	176.9	-59	0	0	0	0	111.8	W416 I463 F477 V478 Q479 A483 I484 F485	W416-T481 HydrophobicContact CE3-CG2 3.53Å; W416-T481 HydrophobicContact CZ3-CG2 3.74Å; I463-T481 WeakPolarHBondContact CG2-OG1 3.28Å; F477-T481 VanDerWaalsContact O-CB 3.3Å; F477-T481 WeakPolarHBondContact O-CB 3.35Å; F477-T481 PolarHBondContact O-N 3.38Å; F477-T481 PolarHBondContact O-OG1 2.95Å; V478-T481 WeakPolarHBondContact O-CB 3.4Å; V478-T481 PolarHBondContact O-N 2.79Å; Q479-T481 VanDerWaalsContact C-N 3.32Å; Q479-T481 PolarHBondContact O-N 3.26Å; T481-A483 VanDerWaalsContact C-N 3.29Å; T481-A483 PolarHBondContact O-N 3.46Å; T481-I484 PolarHBondContact O-N 3.21Å; T481-F485 HydrophobicContact CG2-CD2 3.8Å; T481-F485 HydrophobicContact CG2-CE2 3.6Å; T481-F485 VanDerWaalsContact O-CD2 3.3Å; T481-F485 WeakPolarHBondContact O-CD2 3.36Å; T481-F485 PolarHBondContact O-N 2.7Å
482	A	96.1	Very high	92	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.2	-40.3	176.3	0	0	0	0	0	111.8	Y443 M447 V478 Q479 F485 S486	Y443-A482 HydrophobicContact CE2-CB 4.47Å; Y443-A482 PolarHBondContact OH-O 3.2Å; M447-A482 HydrophobicContact CE-CB 3.38Å; M447-A482 HydrophobicContact SD-CB 4.38Å; V478-A482 PolarHBondContact O-N 3.2Å; Q479-A482 PolarHBondContact O-N 3.41Å; A482-F485 PolarHBondContact O-N 3Å; A482-S486 PolarHBondContact O-N 3.04Å
483	A	95.8	Very high	92.4	Very high	3 Å²	3	20.9 Å²	20.9	3%	0.025	11%	0.114	C	C	.	.	H	α-helix	trans	-60.3	-43.8	173.8	0	0	0	0	0	113.2	Y443 A448 Q479 K480 T481 F485 S486 M487 Y657	Y443-A483 VanDerWaalsContact OH-CA 3.24Å; Y443-A483 WeakPolarHBondContact OH-CA 3.3Å; A448-A483 HydrophobicContact CB-CB 4.27Å; Q479-A483 PolarHBondContact O-N 3.07Å; K480-A483 WeakPolarHBondContact O-CB 3.47Å; K480-A483 PolarHBondContact O-N 3.45Å; T481-A483 VanDerWaalsContact C-N 3.29Å; T481-A483 PolarHBondContact O-N 3.46Å; A483-F485 VanDerWaalsContact C-N 3.31Å; A483-F485 PolarHBondContact O-N 3.31Å; A483-S486 WeakPolarHBondContact O-CB 3.38Å; A483-S486 PolarHBondContact O-N 3.25Å; A483-M487 PolarHBondContact O-N 3.14Å; A483-M487 VanDerWaalsContact O-N 3.1Å; A483-Y657 HydrophobicContact CB-CD2 3.37Å; A483-Y657 HydrophobicContact CB-CE2 3.91Å; A483-Y657 HydrophobicContact CB-CG 4.18Å
484	I	95.8	Very high	92.7	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-66.3	-34.2	176.2	-68.1	160.3	0	0	0	111.4	I463 K480 T481 M487 L488 M536 W539	I463-I484 HydrophobicContact CD1-CD1 3.25Å; K480-I484 HydrophobicContact CG-CD1 3.99Å; K480-I484 WeakPolarHBondContact O-CG1 3.37Å; K480-I484 PolarHBondContact O-N 3.21Å; T481-I484 PolarHBondContact O-N 3.21Å; I484-M487 HydrophobicContact CG2-CE 4.41Å; I484-M487 PolarHBondContact O-N 3.4Å; I484-L488 WeakPolarHBondContact O-CB 3.4Å; I484-L488 PolarHBondContact O-N 2.92Å; I484-M536 HydrophobicContact CG2-CE 3.38Å; I484-M536 HydrophobicContact CG2-SD 3.97Å; I484-W539 HydrophobicContact CD1-CB 4.05Å; I484-W539 HydrophobicContact CG1-CB 4.38Å; I484-W539 HydrophobicContact CG1-CE3 4.47Å; I484-W539 HydrophobicContact CG2-CB 4.17Å
485	F	96.5	Very high	93.2	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.009	13%	0.132	C	C	.	.	H	α-helix	trans	-64.9	-37.8	172.6	-85.6	-65.1	0	0	0	112.8	L417 L421 Y424 T481 A482 A483 M487 L488 H489 L518 W519	L417-F485 HydrophobicContact CD1-CE2 4.18Å; L417-F485 HydrophobicContact CD1-CZ 3.57Å; L417-F485 HydrophobicContact CG-CZ 4.35Å; L417-F485 WeakPolarHBondContact O-CE2 3.25Å; L421-F485 HydrophobicContact CB-CD2 4.11Å; L421-F485 HydrophobicContact CB-CE1 4.42Å; L421-F485 HydrophobicContact CB-CE2 3.61Å; L421-F485 HydrophobicContact CB-CZ 3.77Å; L421-F485 HydrophobicContact CD1-CD1 3.84Å; L421-F485 HydrophobicContact CD1-CD2 4.4Å; L421-F485 HydrophobicContact CD1-CE1 3.78Å; L421-F485 HydrophobicContact CD1-CE2 4.33Å; L421-F485 HydrophobicContact CD1-CG 4.16Å; L421-F485 HydrophobicContact CD1-CZ 4.01Å; L421-F485 HydrophobicContact CG-CZ 4.32Å; Y424-F485 HydrophobicContact CD1-CB 3.86Å; Y424-F485 HydrophobicContact CE1-CB 4.46Å; Y424-F485 HydrophobicContact CG-CB 3.92Å; T481-F485 HydrophobicContact CG2-CD2 3.8Å; T481-F485 HydrophobicContact CG2-CE2 3.6Å; T481-F485 VanDerWaalsContact O-CD2 3.3Å; T481-F485 WeakPolarHBondContact O-CD2 3.36Å; T481-F485 PolarHBondContact O-N 2.7Å; A482-F485 PolarHBondContact O-N 3Å; A483-F485 VanDerWaalsContact C-N 3.31Å; A483-F485 PolarHBondContact O-N 3.31Å; F485-M487 VanDerWaalsContact C-N 3.31Å; F485-M487 PolarHBondContact O-N 2.92Å; F485-L488 HydrophobicContact CD1-CD2 4.08Å; F485-L488 HydrophobicContact CE1-CD2 4.24Å; F485-L488 PolarHBondContact O-N 3.29Å; F485-H489 WeakPolarHBondContact O-CB 3.45Å; F485-H489 PolarHBondContact O-N 2.74Å; F485-L518 HydrophobicContact CE1-CD2 3.95Å; F485-L518 HydrophobicContact CZ-CD2 4.2Å; F485-W519 AromaticContact CE1-CH2 3.94Å; F485-W519 HydrophobicContact CE1-CH2 3.94Å; F485-W519 HydrophobicContact CE1-CZ3 4.05Å; F485-W519 AromaticContact CZ-CH2 3.95Å; F485-W519 HydrophobicContact CZ-CH2 3.95Å; F485-W519 HydrophobicContact CZ-CZ3 4.49Å
486	S	95.1	Very high	93.5	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	12%	0.123	C	C	.	.	H	α-helix	trans	-61.2	-40.3	171.9	-175.9	0	0	0	0	112.4	Y424 R440 Y443 A482 A483 H489 T490	Y424-S486 VanDerWaalsContact CE2-CA 3.48Å; Y424-S486 VanDerWaalsContact CE2-CB 3.45Å; R440-S486 PolarHBondContact NH2-OG 3.35Å; Y443-S486 WeakPolarHBondContact OH-CB 3.18Å; A482-S486 PolarHBondContact O-N 3.04Å; A483-S486 WeakPolarHBondContact O-CB 3.38Å; A483-S486 PolarHBondContact O-N 3.25Å; S486-H489 PolarHBondContact O-N 3.03Å; S486-T490 PolarHBondContact O-N 3.3Å; S486-T490 PolarHBondContact O-OG1 2.92Å
487	M	94.5	Very high	93.7	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-69.5	-40.5	175.9	-176	174.2	65.6	0	0	111.8	A483 I484 F485 H489 T490 A491 W539 F615 P616 N655	A483-M487 PolarHBondContact O-N 3.14Å; A483-M487 VanDerWaalsContact O-N 3.1Å; I484-M487 HydrophobicContact CG2-CE 4.41Å; I484-M487 PolarHBondContact O-N 3.4Å; F485-M487 VanDerWaalsContact C-N 3.31Å; F485-M487 PolarHBondContact O-N 2.92Å; M487-H489 VanDerWaalsContact C-N 3.32Å; M487-H489 PolarHBondContact O-N 3.35Å; M487-T490 PolarHBondContact O-N 2.93Å; M487-A491 WeakPolarHBondContact O-CB 3.36Å; M487-A491 PolarHBondContact O-N 2.88Å; M487-W539 HydrophobicContact CE-CD2 3.59Å; M487-W539 HydrophobicContact CE-CE3 4.27Å; M487-W539 HydrophobicContact CE-CG 3.85Å; M487-W539 HydrophobicContact CE-CH2 4.23Å; M487-W539 HydrophobicContact CE-CZ2 3.59Å; M487-W539 VanDerWaalsContact CE-NE1 3.32Å; M487-W539 HydrophobicContact SD-CH2 4.43Å; M487-W539 HydrophobicContact SD-CZ2 3.87Å; M487-F615 HydrophobicContact CE-CB 4.43Å; M487-F615 HydrophobicContact SD-CB 3.93Å; M487-F615 HydrophobicContact SD-CD2 4.35Å; M487-F615 HydrophobicContact SD-CG 4.43Å; M487-P616 HydrophobicContact CG-CG 4.39Å; M487-N655 WeakPolarHBondContact CA-O 3.43Å; M487-N655 PolarHBondContact N-O 3.33Å
488	L	94.7	Very high	93.9	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-60.3	-43.3	172.7	173.6	61.3	0	0	0	111.3	I484 F485 T490 A491 I492 F497 W519 I532 M535 M536	I484-L488 WeakPolarHBondContact O-CB 3.4Å; I484-L488 PolarHBondContact O-N 2.92Å; F485-L488 HydrophobicContact CD1-CD2 4.08Å; F485-L488 HydrophobicContact CE1-CD2 4.24Å; F485-L488 PolarHBondContact O-N 3.29Å; L488-T490 VanDerWaalsContact C-N 3.32Å; L488-T490 PolarHBondContact O-N 2.88Å; L488-A491 WeakPolarHBondContact O-CB 3.09Å; L488-A491 PolarHBondContact O-N 3.42Å; L488-A491 VanDerWaalsContact O-N 3.16Å; L488-I492 HydrophobicContact CD1-CD1 4.37Å; L488-I492 HydrophobicContact CD1-CG2 4.22Å; L488-I492 WeakPolarHBondContact O-CG1 3.45Å; L488-I492 PolarHBondContact O-N 3.39Å; L488-I492 VanDerWaalsContact O-N 3.15Å; L488-F497 HydrophobicContact CD2-CE2 4.29Å; L488-F497 HydrophobicContact CG-CD2 4.45Å; L488-F497 HydrophobicContact CG-CE2 4.25Å; L488-W519 HydrophobicContact CD2-CE3 4.26Å; L488-W519 HydrophobicContact CD2-CZ3 3.66Å; L488-I532 HydrophobicContact CD1-CD1 4.19Å; L488-I532 HydrophobicContact CD1-CG2 3.66Å; L488-M535 HydrophobicContact CB-CE 4.21Å; L488-M535 HydrophobicContact CD1-CE 3.64Å; L488-M536 HydrophobicContact CB-SD 3.95Å; L488-M536 HydrophobicContact CD1-CG 4.26Å; L488-M536 HydrophobicContact CD1-SD 4.04Å; L488-M536 HydrophobicContact CD2-CE 4.36Å; L488-M536 HydrophobicContact CD2-CG 4.49Å; L488-M536 HydrophobicContact CD2-SD 4.06Å; L488-M536 HydrophobicContact CG-SD 4.24Å
489	H	93.9	Very high	94	Very high	17 Å²	17	27.8 Å²	27.8	8%	0.079	15%	0.146	C	C	.	.	H	α-helix	trans	-58.6	-47.5	176.3	-170.5	179	0	0	0	110.4	Y424 H428 F485 S486 M487 A491 I492 G493 E494 F497	Y424-H489 HydrophobicContact CE1-CB 4.3Å; Y424-H489 AromaticContact CE1-ND1 3.99Å; Y424-H489 AromaticContact CZ-ND1 3.78Å; Y424-H489 WeakPolarHBondContact OH-CB 3.42Å; Y424-H489 PolarHBondContact OH-ND1 2.67Å; H428-H489 AromaticContact NE2-CE1 3.5Å; H428-H489 PolarHBondContact NE2-CE1 2.92Å; F485-H489 WeakPolarHBondContact O-CB 3.45Å; F485-H489 PolarHBondContact O-N 2.74Å; S486-H489 PolarHBondContact O-N 3.03Å; M487-H489 VanDerWaalsContact C-N 3.32Å; M487-H489 PolarHBondContact O-N 3.35Å; H489-A491 VanDerWaalsContact C-N 3.31Å; H489-A491 PolarHBondContact O-N 2.97Å; H489-I492 PolarHBondContact O-N 3.47Å; H489-G493 WeakPolarHBondContact O-CA 3.34Å; H489-G493 PolarHBondContact O-N 2.85Å; H489-E494 IonicContact CE1-OE2 3.51Å; H489-E494 PolarHBondContact CE1-OE2 3.25Å; H489-E494 WeakPolarHBondContact NE2-CA 3.25Å; H489-E494 IonicContact NE2-OE2 2.7Å; H489-E494 PolarHBondContact NE2-OE2 3.44Å; H489-F497 HydrophobicContact CB-CD1 4.19Å; H489-F497 HydrophobicContact CB-CD2 3.86Å; H489-F497 HydrophobicContact CB-CE1 4.25Å; H489-F497 HydrophobicContact CB-CE2 3.98Å; H489-F497 HydrophobicContact CB-CG 4.01Å; H489-F497 HydrophobicContact CB-CZ 4.18Å; H489-F497 WeakPolarHBondContact CD2-CB 3.32Å; H489-F497 AromaticContact CD2-CD1 3.52Å; H489-F497 AromaticContact CD2-CG 3.36Å; H489-F497 WeakPolarHBondContact CD2-CG 3.4Å; H489-F497 AromaticContact CE1-CD1 3.85Å; H489-F497 AromaticContact CG-CD1 3.6Å; H489-F497 AromaticContact CG-CE1 3.96Å; H489-F497 AromaticContact CG-CG 3.67Å; H489-F497 AromaticContact ND1-CD1 3.79Å; H489-F497 AromaticContact ND1-CE1 3.97Å; H489-F497 AromaticContact NE2-CD1 3.66Å; H489-F497 AromaticContact NE2-CG 3.9Å
490	T	91.2	Very high	94	Very high	40 Å²	40	27 Å²	27	25%	0.245	14%	0.142	C	C	.	.	H	α-helix	trans	-60.6	-39.9	174.8	-55.4	0	0	0	0	112.1	S486 M487 L488 I492 T618 N655	S486-T490 PolarHBondContact O-N 3.3Å; S486-T490 PolarHBondContact O-OG1 2.92Å; M487-T490 PolarHBondContact O-N 2.93Å; L488-T490 VanDerWaalsContact C-N 3.32Å; L488-T490 PolarHBondContact O-N 2.88Å; T490-I492 VanDerWaalsContact C-N 3.31Å; T490-I492 PolarHBondContact O-N 2.7Å; T490-T618 HydrophobicContact CG2-CG2 3.94Å; T490-N655 HydrophobicContact CG2-CB 4.42Å; T490-N655 WeakPolarHBondContact OG1-CB 3.28Å; T490-N655 PolarHBondContact OG1-ND2 3.33Å
491	A	91.1	Very high	94.1	Very high	15 Å²	15	27 Å²	27	12%	0.124	14%	0.142	C	C	.	.	H	α-helix	trans	-63.4	-33	-178.4	0	0	0	0	0	114	M487 L488 H489 I532 M535 P616 W631	M487-A491 WeakPolarHBondContact O-CB 3.36Å; M487-A491 PolarHBondContact O-N 2.88Å; L488-A491 WeakPolarHBondContact O-CB 3.09Å; L488-A491 PolarHBondContact O-N 3.42Å; L488-A491 VanDerWaalsContact O-N 3.16Å; H489-A491 VanDerWaalsContact C-N 3.31Å; H489-A491 PolarHBondContact O-N 2.97Å; A491-I532 HydrophobicContact CB-CD1 3.88Å; A491-M535 HydrophobicContact CB-CE 3.83Å; A491-M535 HydrophobicContact CB-SD 4.2Å; A491-P616 HydrophobicContact CB-CG 3.67Å; A491-W631 HydrophobicContact CB-CH2 3.97Å; A491-W631 HydrophobicContact CB-CZ2 4.11Å
492	I	91.2	Very high	94.2	Very high	11 Å²	11	27.1 Å²	27.1	6%	0.056	14%	0.144	C	C	.	.	H	α-helix	trans	-107.9	-17.4	-176.2	70.5	-172.8	0	0	0	113.8	L488 H489 T490 R496 F497 C522 A526 I532	L488-I492 HydrophobicContact CD1-CD1 4.37Å; L488-I492 HydrophobicContact CD1-CG2 4.22Å; L488-I492 WeakPolarHBondContact O-CG1 3.45Å; L488-I492 PolarHBondContact O-N 3.39Å; L488-I492 VanDerWaalsContact O-N 3.15Å; H489-I492 PolarHBondContact O-N 3.47Å; T490-I492 VanDerWaalsContact C-N 3.31Å; T490-I492 PolarHBondContact O-N 2.7Å; I492-R496 HydrophobicContact CB-CB 4.47Å; I492-R496 WeakPolarHBondContact O-CB 2.99Å; I492-R496 WeakPolarHBondContact O-CD 3.28Å; I492-F497 HydrophobicContact CD1-CB 3.81Å; I492-F497 HydrophobicContact CD1-CD2 3.65Å; I492-F497 HydrophobicContact CD1-CG 4.21Å; I492-F497 HydrophobicContact CG1-CB 3.67Å; I492-F497 HydrophobicContact CG1-CD2 4.04Å; I492-F497 HydrophobicContact CG1-CG 4.35Å; I492-C522 HydrophobicContact CD1-CB 4.32Å; I492-A526 HydrophobicContact CB-CB 4.46Å; I492-A526 HydrophobicContact CG2-CB 3.96Å; I492-I532 HydrophobicContact CG2-CD1 3.39Å; I492-I532 HydrophobicContact CG2-CG1 3.79Å
493	G	90.9	Very high	94.2	Very high	31 Å²	31	28.5 Å²	28.5	32%	0.32	15%	0.153	S	C	.	.			trans	79.9	156.8	-177.5	0	0	0	0	0	113.5	H489 D495 R496 F497	H489-G493 WeakPolarHBondContact O-CA 3.34Å; H489-G493 PolarHBondContact O-N 2.85Å; G493-D495 PolarHBondContact O-N 2.87Å; G493-R496 PolarHBondContact O-N 2.56Å; G493-F497 WeakPolarHBondContact O-CB 3.43Å; G493-F497 PolarHBondContact O-N 3.49Å
494	E	91.6	Very high	94.3	Very high	77 Å²	77	28.3 Å²	28.3	36%	0.36	15%	0.152	S	C	.	.	H	α-helix	trans	-48.2	-61.7	-173.2	177.8	60.4	-141.2	0	0	113.7	W340 H428 H489 R496 F497 R498	W340-E494 PolarHBondContact NE1-OE1 3.42Å; H428-E494 IonicContact CE1-OE2 3.97Å; H428-E494 IonicContact NE2-OE2 2.82Å; H489-E494 IonicContact CE1-OE2 3.51Å; H489-E494 PolarHBondContact CE1-OE2 3.25Å; H489-E494 WeakPolarHBondContact NE2-CA 3.25Å; H489-E494 IonicContact NE2-OE2 2.7Å; H489-E494 PolarHBondContact NE2-OE2 3.44Å; E494-R496 VanDerWaalsContact C-N 3.27Å; E494-R496 PolarHBondContact O-N 3.39Å; E494-F497 PolarHBondContact O-N 3.12Å; E494-F497 VanDerWaalsContact O-N 3.15Å; E494-R498 VanDerWaalsContact O-CB 3.29Å; E494-R498 WeakPolarHBondContact O-CB 3.47Å; E494-R498 PolarHBondContact O-N 2.99Å
495	D	92.8	Very high	94.3	Very high	124 Å²	124	28.1 Å²	28.1	66%	0.663	15%	0.151	S	C	*	.	H	α-helix	trans	-60.5	-37.2	-174.1	-68.6	-39.2	0	0	0	112.9	G493 G499	G493-D495 PolarHBondContact O-N 2.87Å; D495-G499 PolarHBondContact O-N 3.08Å
496	R	93.3	Very high	94.3	Very high	119 Å²	119	33.4 Å²	33.4	45%	0.449	17%	0.174	S	C	.	.	H	α-helix	trans	-79.1	-33.6	-179.7	-52.6	-173.8	-158.6	-172	5.3	111.5	I492 G493 E494 G499 C500 A526	I492-R496 HydrophobicContact CB-CB 4.47Å; I492-R496 WeakPolarHBondContact O-CB 2.99Å; I492-R496 WeakPolarHBondContact O-CD 3.28Å; G493-R496 PolarHBondContact O-N 2.56Å; E494-R496 VanDerWaalsContact C-N 3.27Å; E494-R496 PolarHBondContact O-N 3.39Å; R496-G499 PolarHBondContact O-N 3.38Å; R496-C500 WeakPolarHBondContact O-CB 3.43Å; R496-C500 PolarHBondContact O-N 3.27Å; R496-A526 PolarHBondContact NH1-O 2.66Å
497	F	94.8	Very high	94.4	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-52	175.1	-175.8	-100.8	0	0	0	111	W340 Y424 L425 L488 H489 I492 G493 E494 G499 C500 L501	W340-F497 HydrophobicContact CH2-CD1 4.05Å; W340-F497 HydrophobicContact CH2-CE1 4.07Å; W340-F497 HydrophobicContact CZ2-CD1 4.3Å; Y424-F497 HydrophobicContact CD1-CZ 4.4Å; Y424-F497 AromaticContact CE1-CE1 3.99Å; Y424-F497 HydrophobicContact CE1-CE1 3.99Å; Y424-F497 AromaticContact CE1-CZ 3.93Å; Y424-F497 HydrophobicContact CE1-CZ 3.93Å; L425-F497 HydrophobicContact CD2-CE1 4.12Å; L488-F497 HydrophobicContact CD2-CE2 4.29Å; L488-F497 HydrophobicContact CG-CD2 4.45Å; L488-F497 HydrophobicContact CG-CE2 4.25Å; H489-F497 HydrophobicContact CB-CD1 4.19Å; H489-F497 HydrophobicContact CB-CD2 3.86Å; H489-F497 HydrophobicContact CB-CE1 4.25Å; H489-F497 HydrophobicContact CB-CE2 3.98Å; H489-F497 HydrophobicContact CB-CG 4.01Å; H489-F497 HydrophobicContact CB-CZ 4.18Å; H489-F497 WeakPolarHBondContact CD2-CB 3.32Å; H489-F497 AromaticContact CD2-CD1 3.52Å; H489-F497 AromaticContact CD2-CG 3.36Å; H489-F497 WeakPolarHBondContact CD2-CG 3.4Å; H489-F497 AromaticContact CE1-CD1 3.85Å; H489-F497 AromaticContact CG-CD1 3.6Å; H489-F497 AromaticContact CG-CE1 3.96Å; H489-F497 AromaticContact CG-CG 3.67Å; H489-F497 AromaticContact ND1-CD1 3.79Å; H489-F497 AromaticContact ND1-CE1 3.97Å; H489-F497 AromaticContact NE2-CD1 3.66Å; H489-F497 AromaticContact NE2-CG 3.9Å; I492-F497 HydrophobicContact CD1-CB 3.81Å; I492-F497 HydrophobicContact CD1-CD2 3.65Å; I492-F497 HydrophobicContact CD1-CG 4.21Å; I492-F497 HydrophobicContact CG1-CB 3.67Å; I492-F497 HydrophobicContact CG1-CD2 4.04Å; I492-F497 HydrophobicContact CG1-CG 4.35Å; G493-F497 WeakPolarHBondContact O-CB 3.43Å; G493-F497 PolarHBondContact O-N 3.49Å; E494-F497 PolarHBondContact O-N 3.12Å; E494-F497 VanDerWaalsContact O-N 3.15Å; F497-G499 VanDerWaalsContact C-N 3.31Å; F497-G499 PolarHBondContact O-N 3.24Å; F497-C500 WeakPolarHBondContact O-CB 3.5Å; F497-C500 PolarHBondContact O-N 2.98Å; F497-C500 VanDerWaalsContact O-N 3.1Å; F497-L501 HydrophobicContact CD1-CD1 4.02Å; F497-L501 HydrophobicContact CE1-CD1 3.49Å; F497-L501 VanDerWaalsContact CE1-CD1 3.49Å; F497-L501 HydrophobicContact CE1-CG 4.29Å; F497-L501 HydrophobicContact CZ-CD1 3.83Å; F497-L501 HydrophobicContact CZ-CG 4.37Å; F497-L501 PolarHBondContact O-N 3.18Å
498	R	94.9	Very high	94.4	Very high	93 Å²	93	38.4 Å²	38.4	35%	0.351	20%	0.204	S	C	.	.	H	α-helix	trans	-50.6	-51.1	169.4	179.5	-170.8	149	-168.1	-1.4	111.6	W340 E494 C500 L501 G502	W340-R498 HydrophobicContact CD2-CG 4.17Å; W340-R498 HydrophobicContact CG-CG 4.32Å; W340-R498 HydrophobicContact CZ2-CB 3.97Å; W340-R498 HydrophobicContact CZ2-CG 4.36Å; W340-R498 WeakPolarHBondContact O-CD 3.36Å; W340-R498 WeakPolarHBondContact O-CG 3.48Å; W340-R498 PolarHBondContact O-NE 3.34Å; E494-R498 VanDerWaalsContact O-CB 3.29Å; E494-R498 WeakPolarHBondContact O-CB 3.47Å; E494-R498 PolarHBondContact O-N 2.99Å; R498-C500 VanDerWaalsContact C-N 3.34Å; R498-C500 PolarHBondContact O-N 3.15Å; R498-L501 PolarHBondContact O-N 3.03Å; R498-G502 PolarHBondContact O-N 3.01Å
499	G	94.7	Very high	94.5	Very high	24 Å²	24	42.9 Å²	42.9	25%	0.247	22%	0.22	C	C	.	.	H	α-helix	trans	-63.1	-33.4	178.2	0	0	0	0	0	114.4	D495 R496 F497 S503	D495-G499 PolarHBondContact O-N 3.08Å; R496-G499 PolarHBondContact O-N 3.38Å; F497-G499 VanDerWaalsContact C-N 3.31Å; F497-G499 PolarHBondContact O-N 3.24Å; G499-S503 VanDerWaalsContact O-CB 3.29Å; G499-S503 WeakPolarHBondContact O-CB 3.24Å; G499-S503 PolarHBondContact O-N 3.5Å; G499-S503 PolarHBondContact O-OG 3.01Å
500	C	95.1	Very high	94.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.7	-52.9	173.4	174.8	0	0	0	0	110.6	R496 F497 R498 G502 S503 F504 C522 K525	R496-C500 WeakPolarHBondContact O-CB 3.43Å; R496-C500 PolarHBondContact O-N 3.27Å; F497-C500 WeakPolarHBondContact O-CB 3.5Å; F497-C500 PolarHBondContact O-N 2.98Å; F497-C500 VanDerWaalsContact O-N 3.1Å; R498-C500 VanDerWaalsContact C-N 3.34Å; R498-C500 PolarHBondContact O-N 3.15Å; C500-G502 PolarHBondContact O-N 3.43Å; C500-S503 PolarHBondContact O-N 2.92Å; C500-F504 WeakPolarHBondContact O-CB 3.45Å; C500-F504 PolarHBondContact O-N 3.17Å; C500-C522 HydrophobicContact CB-CB 4.07Å; C500-C522 WeakPolarHBondContact CB-SG 3.41Å; C500-C522 WeakPolarHBondContact SG-CA 3.32Å; C500-C522 WeakPolarHBondContact SG-CB 3.44Å; C500-C522 PolarHBondContact SG-N 3.16Å; C500-C522 CovalentContact SG-SG 2.04Å; C500-C522 PolarHBondContact SG-SG 3.26Å; C500-K525 HydrophobicContact CB-CB 4.37Å; C500-K525 HydrophobicContact CB-CG 4.44Å
501	L	97.3	Very high	94.7	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-44.7	-178.6	-69.5	-174.3	0	0	0	112.4	W340 L341 F403 L421 L425 F497 R498 S503 F504 L505 L518	W340-L501 HydrophobicContact CH2-CD1 3.85Å; W340-L501 HydrophobicContact CZ3-CD1 3.98Å; L341-L501 HydrophobicContact CD2-CB 3.75Å; L341-L501 HydrophobicContact CD2-CD1 4.37Å; F403-L501 HydrophobicContact CE1-CD2 4.14Å; F403-L501 HydrophobicContact CZ-CB 4.09Å; F403-L501 HydrophobicContact CZ-CD1 4.31Å; F403-L501 HydrophobicContact CZ-CD2 4.07Å; F403-L501 HydrophobicContact CZ-CG 4.39Å; L421-L501 HydrophobicContact CD1-CD2 4.35Å; L421-L501 HydrophobicContact CD2-CD2 4.41Å; L425-L501 HydrophobicContact CD1-CD1 3.97Å; L425-L501 HydrophobicContact CD2-CD1 3.95Å; F497-L501 HydrophobicContact CD1-CD1 4.02Å; F497-L501 HydrophobicContact CE1-CD1 3.49Å; F497-L501 VanDerWaalsContact CE1-CD1 3.49Å; F497-L501 HydrophobicContact CE1-CG 4.29Å; F497-L501 HydrophobicContact CZ-CD1 3.83Å; F497-L501 HydrophobicContact CZ-CG 4.37Å; F497-L501 PolarHBondContact O-N 3.18Å; R498-L501 PolarHBondContact O-N 3.03Å; L501-S503 PolarHBondContact O-N 2.9Å; L501-F504 WeakPolarHBondContact O-CB 3.13Å; L501-F504 PolarHBondContact O-N 3.36Å; L501-L505 WeakPolarHBondContact O-CG 2.82Å; L501-L505 PolarHBondContact O-N 3.45Å; L501-L518 HydrophobicContact CD2-CD1 4.1Å
502	G	96.6	Very high	94.8	Very high	4 Å²	4	50.9 Å²	50.9	4%	0.041	25%	0.247	C	C	.	.	H	α-helix	trans	-59.7	-44.5	173.4	0	0	0	0	0	112.2	L341 I343 R498 C500 F504 L505 K506	L341-G502 VanDerWaalsContact O-CA 3.32Å; L341-G502 WeakPolarHBondContact O-CA 3.36Å; I343-G502 WeakPolarHBondContact CD1-O 3.49Å; R498-G502 PolarHBondContact O-N 3.01Å; C500-G502 PolarHBondContact O-N 3.43Å; G502-F504 PolarHBondContact O-N 2.83Å; G502-L505 PolarHBondContact O-N 3.32Å; G502-K506 WeakPolarHBondContact O-CG 3.42Å; G502-K506 PolarHBondContact O-N 3.3Å
503	S	96.7	Very high	95	Very high	29 Å²	29	50.4 Å²	50.4	20%	0.203	24%	0.244	C	C	.	.	H	α-helix	trans	-65.6	-38.9	177.1	-58.2	0	0	0	0	112.3	G499 C500 L501 L505 K506 V507 K525	G499-S503 VanDerWaalsContact O-CB 3.29Å; G499-S503 WeakPolarHBondContact O-CB 3.24Å; G499-S503 PolarHBondContact O-N 3.5Å; G499-S503 PolarHBondContact O-OG 3.01Å; C500-S503 PolarHBondContact O-N 2.92Å; L501-S503 PolarHBondContact O-N 2.9Å; S503-L505 VanDerWaalsContact C-N 3.34Å; S503-L505 PolarHBondContact O-N 3.11Å; S503-K506 PolarHBondContact O-N 3.23Å; S503-V507 WeakPolarHBondContact O-CB 3.36Å; S503-V507 VanDerWaalsContact O-CG2 3.29Å; S503-V507 WeakPolarHBondContact O-CG2 3.47Å; S503-V507 PolarHBondContact O-N 3.21Å; S503-K525 WeakPolarHBondContact OG-CE 3.46Å
504	F	97.1	Very high	95.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.8	-44	176	178	-99.4	0	0	0	111.5	F403 T407 W418 C500 L501 G502 N508 A513 D517 L518 I521	F403-F504 HydrophobicContact CE1-CD1 4.11Å; T407-F504 HydrophobicContact CG2-CD1 4.32Å; T407-F504 HydrophobicContact CG2-CE1 3.7Å; W418-F504 AromaticContact CH2-CE1 3.43Å; W418-F504 HydrophobicContact CH2-CE1 3.43Å; W418-F504 VanDerWaalsContact CH2-CE1 3.43Å; W418-F504 HydrophobicContact CH2-CE2 4.39Å; W418-F504 AromaticContact CH2-CZ 3.29Å; W418-F504 HydrophobicContact CH2-CZ 3.29Å; W418-F504 HydrophobicContact CZ2-CE1 4.16Å; W418-F504 AromaticContact CZ2-CZ 3.91Å; W418-F504 HydrophobicContact CZ2-CZ 3.91Å; W418-F504 HydrophobicContact CZ3-CE1 4.03Å; W418-F504 HydrophobicContact CZ3-CZ 4.25Å; C500-F504 WeakPolarHBondContact O-CB 3.45Å; C500-F504 PolarHBondContact O-N 3.17Å; L501-F504 WeakPolarHBondContact O-CB 3.13Å; L501-F504 PolarHBondContact O-N 3.36Å; G502-F504 PolarHBondContact O-N 2.83Å; F504-N508 WeakPolarHBondContact CD2-ND2 3.49Å; F504-N508 WeakPolarHBondContact CE2-ND2 3.42Å; F504-N508 WeakPolarHBondContact O-CB 3.44Å; F504-N508 PolarHBondContact O-N 3.18Å; F504-N508 PolarHBondContact O-ND2 3.11Å; F504-A513 HydrophobicContact CE1-CB 4.49Å; F504-A513 HydrophobicContact CE2-CB 3.74Å; F504-A513 HydrophobicContact CZ-CB 3.39Å; F504-D517 HydrophobicContact CE2-CB 4.06Å; F504-L518 HydrophobicContact CB-CD1 3.99Å; F504-L518 HydrophobicContact CD1-CD1 4.29Å; F504-L518 HydrophobicContact CD2-CB 3.94Å; F504-L518 HydrophobicContact CD2-CD1 3.81Å; F504-L518 HydrophobicContact CD2-CG 4.49Å; F504-L518 HydrophobicContact CE2-CB 3.86Å; F504-L518 HydrophobicContact CE2-CD1 4.43Å; F504-L518 HydrophobicContact CG-CD1 3.76Å; F504-L518 HydrophobicContact CZ-CB 4.5Å; F504-I521 HydrophobicContact CB-CD1 4.24Å; F504-I521 HydrophobicContact CD2-CD1 4.05Å
505	L	97.1	Very high	95.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-68.4	-36.8	175.3	-70.3	168.3	0	0	0	113.1	L341 I343 F402 F403 I406 T407 L501 G502 S503 R509	L341-L505 HydrophobicContact CD1-CD1 3.82Å; L341-L505 HydrophobicContact CD2-CD1 4.38Å; L341-L505 HydrophobicContact CG-CD1 4.48Å; I343-L505 HydrophobicContact CD1-CB 4Å; I343-L505 HydrophobicContact CG1-CB 4.05Å; I343-L505 HydrophobicContact CG1-CD1 4Å; F402-L505 HydrophobicContact CB-CD1 4.03Å; F402-L505 HydrophobicContact CB-CD2 4.23Å; F402-L505 HydrophobicContact CD1-CD1 4.13Å; F402-L505 HydrophobicContact CG-CD1 4.5Å; F403-L505 HydrophobicContact CD1-CD2 4.12Å; F403-L505 HydrophobicContact CE1-CD1 4.12Å; F403-L505 HydrophobicContact CE1-CD2 3.99Å; F403-L505 HydrophobicContact CE1-CG 3.96Å; F403-L505 HydrophobicContact CE2-CD1 4.09Å; F403-L505 HydrophobicContact CZ-CD1 3.69Å; F403-L505 HydrophobicContact CZ-CD2 4.35Å; F403-L505 HydrophobicContact CZ-CG 4.06Å; I406-L505 HydrophobicContact CB-CD2 4.32Å; I406-L505 HydrophobicContact CG2-CD2 4.32Å; T407-L505 HydrophobicContact CG2-CD2 3.58Å; L501-L505 WeakPolarHBondContact O-CG 2.82Å; L501-L505 PolarHBondContact O-N 3.45Å; G502-L505 PolarHBondContact O-N 3.32Å; S503-L505 VanDerWaalsContact C-N 3.34Å; S503-L505 PolarHBondContact O-N 3.11Å; L505-R509 WeakPolarHBondContact O-CA 3.2Å; L505-R509 WeakPolarHBondContact O-CB 3.38Å; L505-R509 PolarHBondContact O-N 2.96Å; L505-R509 VanDerWaalsContact O-N 3.11Å
506	K	95.8	Very high	95.3	Very high	112 Å²	112	45.9 Å²	45.9	49%	0.487	22%	0.217	S	C	.	.	H	α-helix	trans	-66.1	-46.7	176.3	-72.1	174.1	-173	179.8	0	111.6	D342 I343 G502 S503	D342-K506 WeakPolarHBondContact O-CE 3.15Å; D342-K506 PolarHBondContact O-NZ 2.95Å; D342-K506 IonicContact OD2-NZ 3.28Å; D342-K506 PolarHBondContact OD2-NZ 3.4Å; I343-K506 HydrophobicContact CD1-CD 4.03Å; I343-K506 VanDerWaalsContact CD1-CE 3.47Å; I343-K506 HydrophobicContact CD1-CG 3.4Å; G502-K506 WeakPolarHBondContact O-CG 3.42Å; G502-K506 PolarHBondContact O-N 3.3Å; S503-K506 PolarHBondContact O-N 3.23Å
507	V	96.6	Very high	95.4	Very high	90 Å²	90	43 Å²	43	55%	0.545	21%	0.21	S	C	.	.	H	α-helix	trans	-67	-42.1	-178.9	171.8	0	0	0	0	111.3	S503 I521	S503-V507 WeakPolarHBondContact O-CB 3.36Å; S503-V507 VanDerWaalsContact O-CG2 3.29Å; S503-V507 WeakPolarHBondContact O-CG2 3.47Å; S503-V507 PolarHBondContact O-N 3.21Å; V507-I521 HydrophobicContact CB-CD1 4.2Å; V507-I521 HydrophobicContact CG1-CD1 4.41Å; V507-I521 HydrophobicContact CG2-CD1 4.25Å
508	N	95.9	Very high	95.4	Very high	17 Å²	17	43 Å²	43	9%	0.091	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	24.4	-176.3	-61.9	-47.8	0	0	0	113.3	T407 F504 F510 R511 A513	T407-N508 WeakPolarHBondContact OG1-CB 3.48Å; F504-N508 WeakPolarHBondContact CD2-ND2 3.49Å; F504-N508 WeakPolarHBondContact CE2-ND2 3.42Å; F504-N508 WeakPolarHBondContact O-CB 3.44Å; F504-N508 PolarHBondContact O-N 3.18Å; F504-N508 PolarHBondContact O-ND2 3.11Å; N508-F510 PolarHBondContact O-N 3.41Å; N508-F510 VanDerWaalsContact O-N 3.1Å; N508-R511 PolarHBondContact O-N 3.43Å; N508-A513 HydrophobicContact CB-CB 4.36Å
509	R	95.6	Very high	95.3	Very high	95 Å²	95	39 Å²	39	36%	0.358	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	117	-177.9	-170.2	175.4	-179.6	85.2	-3.8	110.9	I406 L505 R511	I406-R509 HydrophobicContact CG2-CB 4.44Å; I406-R509 HydrophobicContact CG2-CG 4.02Å; L505-R509 WeakPolarHBondContact O-CA 3.2Å; L505-R509 WeakPolarHBondContact O-CB 3.38Å; L505-R509 PolarHBondContact O-N 2.96Å; L505-R509 VanDerWaalsContact O-N 3.11Å; R509-R511 PolarHBondContact O-N 3.26Å
510	F	94.8	Very high	95.2	Very high	38 Å²	38	40.2 Å²	40.2	17%	0.167	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	26.7	-175.4	-47.5	-57.1	0	0	0	114.6	P192 P193 P346 I406 N508	P192-F510 HydrophobicContact CB-CD1 3.68Å; P192-F510 HydrophobicContact CB-CD2 4.21Å; P192-F510 HydrophobicContact CB-CE1 3.34Å; P192-F510 HydrophobicContact CB-CE2 3.91Å; P192-F510 HydrophobicContact CB-CG 4.1Å; P192-F510 HydrophobicContact CB-CZ 3.46Å; P192-F510 VanDerWaalsContact CB-CZ 3.46Å; P192-F510 HydrophobicContact CG-CE1 3.95Å; P192-F510 HydrophobicContact CG-CZ 3.86Å; P193-F510 HydrophobicContact CB-CB 4.01Å; P193-F510 HydrophobicContact CG-CB 3.92Å; P346-F510 HydrophobicContact CB-CE1 4.06Å; P346-F510 HydrophobicContact CB-CZ 3.61Å; P346-F510 HydrophobicContact CG-CE1 4.2Å; P346-F510 HydrophobicContact CG-CZ 4.25Å; I406-F510 WeakPolarHBondContact O-CA 3.22Å; I406-F510 PolarHBondContact O-N 3.44Å; N508-F510 PolarHBondContact O-N 3.41Å; N508-F510 VanDerWaalsContact O-N 3.1Å
511	R	94.2	Very high	95.1	Very high	172 Å²	172	41.2 Å²	41.2	65%	0.649	20%	0.203	S	C	*	.	S	Bend	trans	-118.4	175.8	174.1	-64.2	-178.4	-179.6	-176.9	0.3	109.7	T407 S408 N508 R509	T407-R511 PolarHBondContact OG1-O 2.88Å; S408-R511 PolarHBondContact N-O 3.32Å; N508-R511 PolarHBondContact O-N 3.43Å; R509-R511 PolarHBondContact O-N 3.26Å
512	T	94.7	Very high	94.9	Very high	30 Å²	30	41.2 Å²	41.2	18%	0.184	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	158	169.9	56.9	0	0	0	0	110.8	P145 R148 S408	P145-T512 WeakPolarHBondContact O-CG2 3.49Å; R148-T512 HydrophobicContact CG-CG2 4.28Å; S408-T512 CarbonylContact O-C 3.58Å; S408-T512 VanDerWaalsContact O-CA 3.24Å; S408-T512 WeakPolarHBondContact O-CA 3.34Å
513	A	94.9	Very high	94.6	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.008	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155.6	-179.5	0	0	0	0	0	111.4	S408 K410 W418 F504 N508 D517	S408-A513 PolarHBondContact O-N 3.45Å; K410-A513 PolarHBondContact N-O 3.1Å; K410-A513 VanDerWaalsContact N-O 3.12Å; W418-A513 HydrophobicContact CZ2-CB 4.42Å; F504-A513 HydrophobicContact CE1-CB 4.49Å; F504-A513 HydrophobicContact CE2-CB 3.74Å; F504-A513 HydrophobicContact CZ-CB 3.39Å; N508-A513 HydrophobicContact CB-CB 4.36Å; A513-D517 WeakPolarHBondContact CA-OD2 3.37Å; A513-D517 HydrophobicContact CB-CB 4.48Å
514	E	94.1	Very high	94.3	Very high	62 Å²	62	48.9 Å²	48.9	29%	0.29	24%	0.235	S	C	.	.			trans	-104.6	160	172.3	-67.5	177.5	172.8	0	0	110.2	K410 T516 D517	K410-E514 HydrophobicContact CB-CG 4.1Å; K410-E514 HydrophobicContact CD-CG 3.75Å; K410-E514 WeakPolarHBondContact CD-OE1 3.45Å; K410-E514 WeakPolarHBondContact CE-OE1 3.45Å; K410-E514 IonicContact NZ-OE1 3.61Å; K410-E514 PolarHBondContact NZ-OE1 2.78Å; E514-T516 PolarHBondContact O-N 3.03Å; E514-D517 PolarHBondContact N-OD2 3.33Å; E514-D517 WeakPolarHBondContact O-CB 3.26Å; E514-D517 PolarHBondContact O-N 3.24Å; E514-D517 VanDerWaalsContact O-N 3.07Å
515	P	93.8	Very high	93.9	Very high	12 Å²	12	53.3 Å²	53.3	8%	0.078	25%	0.254	C	S	.	.	H	α-helix	trans	-53	-38	175.4	-24.4	31	0	0	0	113.7	D414 W416 L417 D517 L518 W519	D414-P515 HydrophobicContact CB-CG 4.13Å; W416-P515 HydrophobicContact CZ2-CB 4.2Å; W416-P515 HydrophobicContact CZ2-CG 3.98Å; L417-P515 HydrophobicContact CD1-CB 4.36Å; L417-P515 HydrophobicContact CD2-CB 4Å; L417-P515 HydrophobicContact CD2-CG 3.99Å; P515-D517 VanDerWaalsContact C-N 3.26Å; P515-D517 PolarHBondContact O-N 3.47Å; P515-L518 PolarHBondContact O-N 2.62Å; P515-W519 HydrophobicContact CB-CZ2 4.26Å; P515-W519 PolarHBondContact O-N 3.17Å; P515-W519 VanDerWaalsContact O-N 3.15Å; P515-W519 PolarHBondContact O-NE1 3.45Å
516	T	93.4	Very high	93.2	Very high	64 Å²	64	53.4 Å²	53.4	39%	0.393	26%	0.255	S	S	.	.	H	α-helix	trans	-60.8	-30.8	179	49.8	0	0	0	0	113.6	E514 T520	E514-T516 PolarHBondContact O-N 3.03Å; T516-T520 WeakPolarHBondContact O-CB 3.33Å; T516-T520 PolarHBondContact O-N 2.74Å; T516-T520 PolarHBondContact O-OG1 3.37Å
517	D	94.6	Very high	91.9	Very high	59 Å²	59	54.6 Å²	54.6	32%	0.316	27%	0.267	S	S	.	.	H	α-helix	trans	-65.2	-44.8	176.3	-64.6	-42.5	0	0	0	110.5	F504 A513 E514 P515 T520 I521	F504-D517 HydrophobicContact CE2-CB 4.06Å; A513-D517 WeakPolarHBondContact CA-OD2 3.37Å; A513-D517 HydrophobicContact CB-CB 4.48Å; E514-D517 PolarHBondContact N-OD2 3.33Å; E514-D517 WeakPolarHBondContact O-CB 3.26Å; E514-D517 PolarHBondContact O-N 3.24Å; E514-D517 VanDerWaalsContact O-N 3.07Å; P515-D517 VanDerWaalsContact C-N 3.26Å; P515-D517 PolarHBondContact O-N 3.47Å; D517-T520 PolarHBondContact O-N 3.06Å; D517-I521 WeakPolarHBondContact O-CG1 3.21Å; D517-I521 PolarHBondContact O-N 3.36Å
518	L	94.8	Very high	90	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-64	-47.1	177.9	-178.7	60.2	0	0	0	111	L417 F485 L501 F504 P515 T520 I521 C522	L417-L518 HydrophobicContact CD1-CD2 4.32Å; F485-L518 HydrophobicContact CE1-CD2 3.95Å; F485-L518 HydrophobicContact CZ-CD2 4.2Å; L501-L518 HydrophobicContact CD2-CD1 4.1Å; F504-L518 HydrophobicContact CB-CD1 3.99Å; F504-L518 HydrophobicContact CD1-CD1 4.29Å; F504-L518 HydrophobicContact CD2-CB 3.94Å; F504-L518 HydrophobicContact CD2-CD1 3.81Å; F504-L518 HydrophobicContact CD2-CG 4.49Å; F504-L518 HydrophobicContact CE2-CB 3.86Å; F504-L518 HydrophobicContact CE2-CD1 4.43Å; F504-L518 HydrophobicContact CG-CD1 3.76Å; F504-L518 HydrophobicContact CZ-CB 4.5Å; P515-L518 PolarHBondContact O-N 2.62Å; L518-T520 VanDerWaalsContact C-N 3.28Å; L518-T520 PolarHBondContact O-N 3.24Å; L518-I521 PolarHBondContact O-N 3.45Å; L518-C522 WeakPolarHBondContact O-CB 3.44Å; L518-C522 PolarHBondContact O-N 3.08Å
519	W	93.2	Very high	88.2	Confident	7 Å²	7	53.6 Å²	53.6	3%	0.027	27%	0.273	C	S	.	.	H	α-helix	trans	-59.8	-40.1	178.2	-49.2	147.5	0	0	0	112.1	W416 L417 F485 L488 P515 T523 K533 M536	W416-W519 HydrophobicContact CH2-CZ2 4.09Å; L417-W519 HydrophobicContact CD1-CH2 3.52Å; L417-W519 HydrophobicContact CD1-CZ2 3.56Å; F485-W519 AromaticContact CE1-CH2 3.94Å; F485-W519 HydrophobicContact CE1-CH2 3.94Å; F485-W519 HydrophobicContact CE1-CZ3 4.05Å; F485-W519 AromaticContact CZ-CH2 3.95Å; F485-W519 HydrophobicContact CZ-CH2 3.95Å; F485-W519 HydrophobicContact CZ-CZ3 4.49Å; L488-W519 HydrophobicContact CD2-CE3 4.26Å; L488-W519 HydrophobicContact CD2-CZ3 3.66Å; P515-W519 HydrophobicContact CB-CZ2 4.26Å; P515-W519 PolarHBondContact O-N 3.17Å; P515-W519 VanDerWaalsContact O-N 3.15Å; P515-W519 PolarHBondContact O-NE1 3.45Å; W519-T523 VanDerWaalsContact O-CB 3.3Å; W519-T523 WeakPolarHBondContact O-CB 3.39Å; W519-T523 PolarHBondContact O-N 2.87Å; W519-T523 PolarHBondContact O-OG1 3.27Å; W519-K533 HydrophobicContact CB-CG 4.32Å; W519-M536 HydrophobicContact CD2-CB 3.67Å; W519-M536 HydrophobicContact CD2-CG 3.92Å; W519-M536 HydrophobicContact CE3-CB 3.96Å; W519-M536 HydrophobicContact CE3-CE 4.22Å; W519-M536 HydrophobicContact CE3-CG 3.65Å; W519-M536 HydrophobicContact CG-CB 4.01Å; W519-M536 HydrophobicContact CH2-CE 3.34Å; W519-M536 HydrophobicContact CH2-CG 4.46Å; W519-M536 HydrophobicContact CZ2-CB 4.32Å; W519-M536 HydrophobicContact CZ2-CE 3.79Å; W519-M536 HydrophobicContact CZ3-CB 4.42Å; W519-M536 HydrophobicContact CZ3-CE 3.57Å; W519-M536 HydrophobicContact CZ3-CG 3.95Å; W519-M536 HydrophobicContact CZ3-SD 4.33Å
520	T	92.5	Very high	86.4	Confident	50 Å²	50	57.9 Å²	57.9	31%	0.307	30%	0.295	S	S	.	.	H	α-helix	trans	-66.3	-42.9	178.4	-59.3	0	0	0	0	111.5	T516 D517 L518 K524	T516-T520 WeakPolarHBondContact O-CB 3.33Å; T516-T520 PolarHBondContact O-N 2.74Å; T516-T520 PolarHBondContact O-OG1 3.37Å; D517-T520 PolarHBondContact O-N 3.06Å; L518-T520 VanDerWaalsContact C-N 3.28Å; L518-T520 PolarHBondContact O-N 3.24Å; T520-K524 WeakPolarHBondContact O-CG 3.23Å; T520-K524 PolarHBondContact O-N 3.07Å; T520-K524 VanDerWaalsContact O-N 3.1Å
521	I	93.3	Very high	85.5	Confident	22 Å²	22	57.1 Å²	57.1	11%	0.113	29%	0.292	C	S	.	.	H	α-helix	trans	-67.1	-44.5	178	-69.9	177	0	0	0	110.9	F504 V507 D517 L518 T523 K524 K525	F504-I521 HydrophobicContact CB-CD1 4.24Å; F504-I521 HydrophobicContact CD2-CD1 4.05Å; V507-I521 HydrophobicContact CB-CD1 4.2Å; V507-I521 HydrophobicContact CG1-CD1 4.41Å; V507-I521 HydrophobicContact CG2-CD1 4.25Å; D517-I521 WeakPolarHBondContact O-CG1 3.21Å; D517-I521 PolarHBondContact O-N 3.36Å; L518-I521 PolarHBondContact O-N 3.45Å; I521-T523 PolarHBondContact O-N 3.28Å; I521-K524 PolarHBondContact O-N 3.35Å; I521-K525 PolarHBondContact O-N 3.46Å
522	C	92.6	Very high	85.3	Confident	1 Å²	1	49 Å²	49	1%	0.007	26%	0.262	C	S	.	.	H	α-helix	trans	-64.6	-39.9	177.7	-75	0	0	0	0	111.6	I492 C500 L518 K524 K525 A526 I532	I492-C522 HydrophobicContact CD1-CB 4.32Å; C500-C522 HydrophobicContact CB-CB 4.07Å; C500-C522 WeakPolarHBondContact CB-SG 3.41Å; C500-C522 WeakPolarHBondContact SG-CA 3.32Å; C500-C522 WeakPolarHBondContact SG-CB 3.44Å; C500-C522 PolarHBondContact SG-N 3.16Å; C500-C522 CovalentContact SG-SG 2.04Å; C500-C522 PolarHBondContact SG-SG 3.26Å; L518-C522 WeakPolarHBondContact O-CB 3.44Å; L518-C522 PolarHBondContact O-N 3.08Å; C522-K524 VanDerWaalsContact C-N 3.33Å; C522-K524 PolarHBondContact O-N 3.14Å; C522-K525 PolarHBondContact O-N 3.02Å; C522-A526 WeakPolarHBondContact O-CB 3.28Å; C522-A526 PolarHBondContact O-N 3.36Å; C522-I532 HydrophobicContact CB-CG2 4.21Å
523	T	91.6	Very high	85.1	Confident	39 Å²	39	52.2 Å²	52.2	24%	0.239	27%	0.273	C	S	.	.	H	α-helix	trans	-60.3	-42.3	175.2	-57.6	0	0	0	0	111.5	W519 I521 A526 K533	W519-T523 VanDerWaalsContact O-CB 3.3Å; W519-T523 WeakPolarHBondContact O-CB 3.39Å; W519-T523 PolarHBondContact O-N 2.87Å; W519-T523 PolarHBondContact O-OG1 3.27Å; I521-T523 PolarHBondContact O-N 3.28Å; T523-A526 PolarHBondContact O-N 3.37Å; T523-K533 PolarHBondContact OG1-N 2.92Å
524	K	89.9	Confident	84.9	Confident	155 Å²	155	56.1 Å²	56.1	67%	0.674	29%	0.294	S	S	*	.	H	α-helix	trans	-64.1	-43.4	175.4	-72.7	175.1	-178.9	-179.3	0	112	T520 I521 C522 A526 N527	T520-K524 WeakPolarHBondContact O-CG 3.23Å; T520-K524 PolarHBondContact O-N 3.07Å; T520-K524 VanDerWaalsContact O-N 3.1Å; I521-K524 PolarHBondContact O-N 3.35Å; C522-K524 VanDerWaalsContact C-N 3.33Å; C522-K524 PolarHBondContact O-N 3.14Å; K524-A526 VanDerWaalsContact C-N 3.32Å; K524-A526 PolarHBondContact O-N 2.86Å; K524-N527 PolarHBondContact O-N 3.48Å
525	K	88.3	Confident	84.9	Confident	92 Å²	92	53.2 Å²	53.2	40%	0.4	28%	0.28	S	S	.	.	H	α-helix	trans	-71.3	-25.3	179.8	-76.6	-65.6	-170.6	178.5	0	113.8	C500 S503 I521 C522 N527	C500-K525 HydrophobicContact CB-CB 4.37Å; C500-K525 HydrophobicContact CB-CG 4.44Å; S503-K525 WeakPolarHBondContact OG-CE 3.46Å; I521-K525 PolarHBondContact O-N 3.46Å; C522-K525 PolarHBondContact O-N 3.02Å; K525-N527 PolarHBondContact O-N 3.36Å
526	A	83	Confident	84.9	Confident	2 Å²	2	52.7 Å²	52.7	2%	0.017	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	3.1	177.6	0	0	0	0	0	113.8	I492 R496 C522 T523 K524 G528 S529 I532	I492-A526 HydrophobicContact CB-CB 4.46Å; I492-A526 HydrophobicContact CG2-CB 3.96Å; R496-A526 PolarHBondContact NH1-O 2.66Å; C522-A526 WeakPolarHBondContact O-CB 3.28Å; C522-A526 PolarHBondContact O-N 3.36Å; T523-A526 PolarHBondContact O-N 3.37Å; K524-A526 VanDerWaalsContact C-N 3.32Å; K524-A526 PolarHBondContact O-N 2.86Å; A526-G528 VanDerWaalsContact C-N 3.32Å; A526-G528 PolarHBondContact O-N 2.82Å; A526-S529 WeakPolarHBondContact CB-OG 3.29Å; A526-I532 HydrophobicContact CB-CG1 4.25Å
527	N	69.3	Low	84.9	Confident	137 Å²	137	52.2 Å²	52.2	73%	0.733	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	43.6	178.4	-76.3	-1.3	0	0	0	113.7	K524 K525	K524-N527 PolarHBondContact O-N 3.48Å; K525-N527 PolarHBondContact O-N 3.36Å
528	G	55.8	Low	84.8	Confident	54 Å²	54	51.2 Å²	51.2	56%	0.557	27%	0.268	S	S	*	.	S	Bend	trans	88.4	20.4	171.8	0	0	0	0	0	115.8	A526 K530	A526-G528 VanDerWaalsContact C-N 3.32Å; A526-G528 PolarHBondContact O-N 2.82Å; G528-K530 VanDerWaalsContact C-N 3.34Å; G528-K530 PolarHBondContact O-N 3.36Å
529	S	57.6	Low	84.8	Confident	32 Å²	32	51.2 Å²	51.2	22%	0.224	27%	0.269	C	S	.	.			trans	-60.7	103.7	157.8	67.2	0	0	0	0	107.4	A526 N531 I532	A526-S529 WeakPolarHBondContact CB-OG 3.29Å; S529-N531 PolarHBondContact O-N 2.84Å; S529-I532 VanDerWaalsContact OG-CG1 3.31Å; S529-I532 WeakPolarHBondContact OG-CG1 3.35Å
530	K	58.4	Low	84.8	Confident	185 Å²	185	51 Å²	51	80%	0.804	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-2.8	-163	-73.7	-176.1	176.8	177.7	0	114.8	G528	G528-K530 VanDerWaalsContact C-N 3.34Å; G528-K530 PolarHBondContact O-N 3.36Å
531	N	76.7	Confident	84.8	Confident	22 Å²	22	53.5 Å²	53.5	12%	0.118	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	5.6	-162.2	-61.1	-24.9	0	0	0	115.3	S529 D534 M535 I614 W631 Q633	S529-N531 PolarHBondContact O-N 2.84Å; N531-D534 PolarHBondContact O-N 3.11Å; N531-M535 WeakPolarHBondContact O-CA 3.46Å; N531-M535 WeakPolarHBondContact O-CB 3.41Å; N531-M535 PolarHBondContact O-N 2.81Å; N531-I614 HydrophobicContact CB-CG2 3.65Å; N531-W631 HydrophobicContact CB-CE3 4.38Å; N531-W631 HydrophobicContact CB-CZ3 3.97Å; N531-Q633 PolarHBondContact ND2-NE2 3.34Å
532	I	90.3	Very high	84.7	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-50.2	-176.5	-62.2	-61.2	0	0	0	112.1	L488 A491 I492 C522 A526 S529 D534 M535 M536 W631	L488-I532 HydrophobicContact CD1-CD1 4.19Å; L488-I532 HydrophobicContact CD1-CG2 3.66Å; A491-I532 HydrophobicContact CB-CD1 3.88Å; I492-I532 HydrophobicContact CG2-CD1 3.39Å; I492-I532 HydrophobicContact CG2-CG1 3.79Å; C522-I532 HydrophobicContact CB-CG2 4.21Å; A526-I532 HydrophobicContact CB-CG1 4.25Å; S529-I532 VanDerWaalsContact OG-CG1 3.31Å; S529-I532 WeakPolarHBondContact OG-CG1 3.35Å; I532-D534 VanDerWaalsContact C-N 3.29Å; I532-D534 PolarHBondContact O-N 3.4Å; I532-M535 HydrophobicContact CD1-CE 3.92Å; I532-M535 PolarHBondContact O-N 3.31Å; I532-M536 HydrophobicContact CG2-CG 4.35Å; I532-M536 WeakPolarHBondContact O-CB 3.33Å; I532-M536 VanDerWaalsContact O-CG 3.26Å; I532-M536 WeakPolarHBondContact O-CG 3.29Å; I532-M536 PolarHBondContact O-N 2.97Å; I532-W631 HydrophobicContact CD1-CH2 3.91Å
533	K	89.9	Confident	84.6	Confident	99 Å²	99	56.1 Å²	56.1	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-59.6	-42.8	176.6	-175	178.1	176.5	-178.2	0	111.4	W519 T523 T537	W519-K533 HydrophobicContact CB-CG 4.32Å; T523-K533 PolarHBondContact OG1-N 2.92Å; K533-T537 WeakPolarHBondContact O-CB 3.41Å; K533-T537 PolarHBondContact O-N 3.31Å; K533-T537 PolarHBondContact O-OG1 2.92Å
534	D	90.4	Very high	84.6	Confident	83 Å²	83	54.9 Å²	54.9	44%	0.444	29%	0.285	S	S	.	.	H	α-helix	trans	-69	-47	-179.1	-64.4	-15.7	0	0	0	111.4	N531 I532 M536 T537 L538	N531-D534 PolarHBondContact O-N 3.11Å; I532-D534 VanDerWaalsContact C-N 3.29Å; I532-D534 PolarHBondContact O-N 3.4Å; D534-M536 PolarHBondContact O-N 2.97Å; D534-T537 PolarHBondContact O-N 2.77Å; D534-L538 VanDerWaalsContact O-CG 3.25Å; D534-L538 WeakPolarHBondContact O-CG 3.2Å; D534-L538 PolarHBondContact O-N 2.96Å
535	M	93.3	Very high	84.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-49.4	-59.5	170.9	169.8	176.1	94.4	0	0	110	L488 A491 N531 I532 T537 L538 W539 I614 F615 W631	L488-M535 HydrophobicContact CB-CE 4.21Å; L488-M535 HydrophobicContact CD1-CE 3.64Å; A491-M535 HydrophobicContact CB-CE 3.83Å; A491-M535 HydrophobicContact CB-SD 4.2Å; N531-M535 WeakPolarHBondContact O-CA 3.46Å; N531-M535 WeakPolarHBondContact O-CB 3.41Å; N531-M535 PolarHBondContact O-N 2.81Å; I532-M535 HydrophobicContact CD1-CE 3.92Å; I532-M535 PolarHBondContact O-N 3.31Å; M535-T537 PolarHBondContact O-N 3.38Å; M535-L538 PolarHBondContact O-N 3.11Å; M535-L538 VanDerWaalsContact O-N 3.1Å; M535-W539 PolarHBondContact O-N 3.3Å; M535-I614 VanDerWaalsContact CB-O 3.27Å; M535-I614 WeakPolarHBondContact CB-O 3.11Å; M535-I614 WeakPolarHBondContact CG-O 3.42Å; M535-F615 HydrophobicContact SD-CB 4.34Å; M535-W631 HydrophobicContact SD-CH2 4.17Å; M535-W631 HydrophobicContact SD-CZ3 4.14Å
536	M	94.5	Very high	85.1	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-33.6	-176.3	-65.7	-51	-56.6	0	0	112.1	I484 L488 W519 I532 D534 T540	I484-M536 HydrophobicContact CG2-CE 3.38Å; I484-M536 HydrophobicContact CG2-SD 3.97Å; L488-M536 HydrophobicContact CB-SD 3.95Å; L488-M536 HydrophobicContact CD1-CG 4.26Å; L488-M536 HydrophobicContact CD1-SD 4.04Å; L488-M536 HydrophobicContact CD2-CE 4.36Å; L488-M536 HydrophobicContact CD2-CG 4.49Å; L488-M536 HydrophobicContact CD2-SD 4.06Å; L488-M536 HydrophobicContact CG-SD 4.24Å; W519-M536 HydrophobicContact CD2-CB 3.67Å; W519-M536 HydrophobicContact CD2-CG 3.92Å; W519-M536 HydrophobicContact CE3-CB 3.96Å; W519-M536 HydrophobicContact CE3-CE 4.22Å; W519-M536 HydrophobicContact CE3-CG 3.65Å; W519-M536 HydrophobicContact CG-CB 4.01Å; W519-M536 HydrophobicContact CH2-CE 3.34Å; W519-M536 HydrophobicContact CH2-CG 4.46Å; W519-M536 HydrophobicContact CZ2-CB 4.32Å; W519-M536 HydrophobicContact CZ2-CE 3.79Å; W519-M536 HydrophobicContact CZ3-CB 4.42Å; W519-M536 HydrophobicContact CZ3-CE 3.57Å; W519-M536 HydrophobicContact CZ3-CG 3.95Å; W519-M536 HydrophobicContact CZ3-SD 4.33Å; I532-M536 HydrophobicContact CG2-CG 4.35Å; I532-M536 WeakPolarHBondContact O-CB 3.33Å; I532-M536 VanDerWaalsContact O-CG 3.26Å; I532-M536 WeakPolarHBondContact O-CG 3.29Å; I532-M536 PolarHBondContact O-N 2.97Å; D534-M536 PolarHBondContact O-N 2.97Å; M536-T540 VanDerWaalsContact O-CB 3.31Å; M536-T540 WeakPolarHBondContact O-CB 3.4Å; M536-T540 WeakPolarHBondContact O-CG2 3.43Å; M536-T540 PolarHBondContact O-N 3.41Å; M536-T540 VanDerWaalsContact O-N 3.14Å; M536-T540 PolarHBondContact O-OG1 3.39Å
537	T	93.1	Very high	85.8	Confident	53 Å²	53	43.2 Å²	43.2	33%	0.325	23%	0.234	S	C	.	.	H	α-helix	trans	-65	-47.7	174.2	-56.5	0	0	0	0	111	K533 D534 M535 T540 H541	K533-T537 WeakPolarHBondContact O-CB 3.41Å; K533-T537 PolarHBondContact O-N 3.31Å; K533-T537 PolarHBondContact O-OG1 2.92Å; D534-T537 PolarHBondContact O-N 2.77Å; M535-T537 PolarHBondContact O-N 3.38Å; T537-T540 PolarHBondContact O-N 2.84Å; T537-T540 PolarHBondContact O-OG1 2.95Å; T537-H541 VanDerWaalsContact O-CB 3.3Å; T537-H541 WeakPolarHBondContact O-CB 3.39Å; T537-H541 PolarHBondContact O-N 3.1Å; T537-H541 PolarHBondContact O-ND1 3.39Å
538	L	93	Very high	87.1	Confident	38 Å²	38	36.7 Å²	36.7	20%	0.199	20%	0.2	C	C	.	.	H	α-helix	trans	-60.8	-48.5	178.8	-64.2	167.8	0	0	0	111.5	D534 M535 T540 H541 Q542 I614	D534-L538 VanDerWaalsContact O-CG 3.25Å; D534-L538 WeakPolarHBondContact O-CG 3.2Å; D534-L538 PolarHBondContact O-N 2.96Å; M535-L538 PolarHBondContact O-N 3.11Å; M535-L538 VanDerWaalsContact O-N 3.1Å; L538-T540 VanDerWaalsContact C-N 3.28Å; L538-T540 PolarHBondContact O-N 2.85Å; L538-H541 PolarHBondContact O-N 3.43Å; L538-Q542 VanDerWaalsContact O-CB 3.24Å; L538-Q542 WeakPolarHBondContact O-CB 3.39Å; L538-Q542 WeakPolarHBondContact O-CG 3.47Å; L538-Q542 PolarHBondContact O-N 3.33Å; L538-I614 HydrophobicContact CD1-CB 3.96Å; L538-I614 HydrophobicContact CD1-CD1 3.77Å; L538-I614 HydrophobicContact CD1-CG1 3.64Å
539	W	94.3	Very high	89.1	Confident	2 Å²	2	36 Å²	36	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-68.1	-24	-178.3	-74.3	106.2	0	0	0	114.6	I484 M487 M535 F545 P546 W613 I614 F615 Y657	I484-W539 HydrophobicContact CD1-CB 4.05Å; I484-W539 HydrophobicContact CG1-CB 4.38Å; I484-W539 HydrophobicContact CG1-CE3 4.47Å; I484-W539 HydrophobicContact CG2-CB 4.17Å; M487-W539 HydrophobicContact CE-CD2 3.59Å; M487-W539 HydrophobicContact CE-CE3 4.27Å; M487-W539 HydrophobicContact CE-CG 3.85Å; M487-W539 HydrophobicContact CE-CH2 4.23Å; M487-W539 HydrophobicContact CE-CZ2 3.59Å; M487-W539 VanDerWaalsContact CE-NE1 3.32Å; M487-W539 HydrophobicContact SD-CH2 4.43Å; M487-W539 HydrophobicContact SD-CZ2 3.87Å; M535-W539 PolarHBondContact O-N 3.3Å; W539-F545 HydrophobicContact CZ3-CB 4.21Å; W539-P546 HydrophobicContact CH2-CG 3.76Å; W539-P546 HydrophobicContact CZ2-CG 4.3Å; W539-W613 AromaticContact CD2-CD1 3.45Å; W539-W613 VanDerWaalsContact CD2-CD1 3.45Å; W539-W613 HydrophobicContact CD2-CG 4.37Å; W539-W613 AromaticContact CE2-CD1 3.53Å; W539-W613 AromaticContact CE3-CD1 3.58Å; W539-W613 AromaticContact CE3-NE1 3.8Å; W539-W613 HydrophobicContact CH2-CB 4.47Å; W539-W613 AromaticContact CH2-CD1 3.99Å; W539-W613 HydrophobicContact CH2-CG 4.2Å; W539-W613 HydrophobicContact CZ2-CB 3.86Å; W539-W613 AromaticContact CZ2-CD1 3.83Å; W539-W613 AromaticContact CZ2-CG 3.98Å; W539-W613 HydrophobicContact CZ2-CG 3.98Å; W539-W613 AromaticContact CZ3-CD1 3.83Å; W539-W613 HydrophobicContact CZ3-CG 4.42Å; W539-W613 AromaticContact CZ3-NE1 4Å; W539-I614 PolarHBondContact NE1-O 2.99Å; W539-F615 HydrophobicContact CZ2-CB 4Å; W539-F615 AromaticContact CZ2-CD1 3.67Å; W539-F615 HydrophobicContact CZ2-CD1 3.67Å; W539-F615 HydrophobicContact CZ2-CD2 4.29Å; W539-F615 HydrophobicContact CZ2-CE1 4.16Å; W539-F615 AromaticContact CZ2-CG 3.74Å; W539-F615 HydrophobicContact CZ2-CG 3.74Å; W539-Y657 HydrophobicContact CE3-CD1 4.47Å; W539-Y657 WeakPolarHBondContact CH2-O 3.34Å; W539-Y657 AromaticContact CZ3-CD1 3.89Å; W539-Y657 HydrophobicContact CZ3-CD1 3.89Å; W539-Y657 WeakPolarHBondContact CZ3-O 3.46Å
540	T	93.8	Very high	91.1	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-92.8	-29.2	-179.4	54.1	0	0	0	0	112.8	W416 S462 I463 M464 M536 T537 L538	W416-T540 HydrophobicContact CH2-CG2 3.35Å; W416-T540 HydrophobicContact CZ2-CG2 4.17Å; W416-T540 HydrophobicContact CZ3-CG2 3.83Å; S462-T540 PolarHBondContact OG-O 2.9Å; I463-T540 PolarHBondContact N-O 3.45Å; I463-T540 VanDerWaalsContact N-O 3.12Å; M464-T540 WeakPolarHBondContact CG-O 3.32Å; M464-T540 PolarHBondContact N-O 2.78Å; M536-T540 VanDerWaalsContact O-CB 3.31Å; M536-T540 WeakPolarHBondContact O-CB 3.4Å; M536-T540 WeakPolarHBondContact O-CG2 3.43Å; M536-T540 PolarHBondContact O-N 3.41Å; M536-T540 VanDerWaalsContact O-N 3.14Å; M536-T540 PolarHBondContact O-OG1 3.39Å; T537-T540 PolarHBondContact O-N 2.84Å; T537-T540 PolarHBondContact O-OG1 2.95Å; L538-T540 VanDerWaalsContact C-N 3.28Å; L538-T540 PolarHBondContact O-N 2.85Å
541	H	92.5	Very high	92.9	Very high	104 Å²	104	27.9 Å²	27.9	48%	0.481	15%	0.149	S	C	.	.	H	α-helix	trans	-101.9	-14.2	-174.9	-66.6	66.8	0	0	0	114.3	S462 T537 L538	S462-H541 VanDerWaalsContact CB-O 3.31Å; S462-H541 WeakPolarHBondContact CB-O 3.46Å; S462-H541 VanDerWaalsContact OG-CA 3.3Å; S462-H541 WeakPolarHBondContact OG-CA 3.27Å; S462-H541 PolarHBondContact OG-O 3.15Å; T537-H541 VanDerWaalsContact O-CB 3.3Å; T537-H541 WeakPolarHBondContact O-CB 3.39Å; T537-H541 PolarHBondContact O-N 3.1Å; T537-H541 PolarHBondContact O-ND1 3.39Å; L538-H541 PolarHBondContact O-N 3.43Å
542	Q	90.8	Very high	93.6	Very high	38 Å²	38	28.5 Å²	28.5	18%	0.178	15%	0.151	C	C	.	.	S	Bend	trans	-101.1	141.4	178.3	-62	-172.6	16	0	0	111.9	L538	L538-Q542 VanDerWaalsContact O-CB 3.24Å; L538-Q542 WeakPolarHBondContact O-CB 3.39Å; L538-Q542 WeakPolarHBondContact O-CG 3.47Å; L538-Q542 PolarHBondContact O-N 3.33Å
543	P	90.3	Very high	93.6	Very high	40 Å²	40	35 Å²	35	26%	0.26	18%	0.183	S	C	.	.			trans	-71.3	156.3	170.6	30.8	-35.6	0	0	0	112	W460 M611 W613	W460-P543 WeakPolarHBondContact O-CA 3.4Å; W460-P543 WeakPolarHBondContact O-CB 3.2Å; P543-M611 HydrophobicContact CG-CE 3.87Å; P543-W613 WeakPolarHBondContact O-CZ2 3.4Å
544	G	90.9	Very high	93.5	Very high	12 Å²	12	32.9 Å²	32.9	12%	0.124	19%	0.189	C	C	.	.	S	Bend	trans	70.8	-161.2	174.2	0	0	0	0	0	115.8	D455 W460 K480	D455-G544 WeakPolarHBondContact OD2-CA 3.3Å; W460-G544 PolarHBondContact O-N 2.87Å; K480-G544 PolarHBondContact NZ-O 3.21Å
545	F	94.4	Very high	93.6	Very high	3 Å²	3	31.3 Å²	31.3	1%	0.013	18%	0.181	C	C	.	.			trans	-152.8	162.5	-179.4	65.8	-88.2	0	0	0	110.9	L452 D455 A456 W539 F564 Y657 R659	L452-F545 HydrophobicContact CD2-CB 4.48Å; L452-F545 HydrophobicContact CD2-CD1 3.95Å; L452-F545 HydrophobicContact CD2-CD2 3.69Å; L452-F545 HydrophobicContact CD2-CE1 4.06Å; L452-F545 HydrophobicContact CD2-CE2 3.83Å; L452-F545 HydrophobicContact CD2-CG 3.77Å; L452-F545 HydrophobicContact CD2-CZ 4Å; D455-F545 HydrophobicContact CB-CD1 3.76Å; D455-F545 HydrophobicContact CB-CE1 3.76Å; A456-F545 HydrophobicContact CB-CE1 4.26Å; A456-F545 HydrophobicContact CB-CZ 4.1Å; W539-F545 HydrophobicContact CZ3-CB 4.21Å; F545-F564 HydrophobicContact CD2-CB 3.98Å; F545-F564 HydrophobicContact CE1-CB 4.18Å; F545-F564 HydrophobicContact CE1-CD1 4.38Å; F545-F564 HydrophobicContact CE1-CG 4.23Å; F545-F564 HydrophobicContact CE2-CB 3.5Å; F545-F564 VanDerWaalsContact CE2-CB 3.5Å; F545-F564 HydrophobicContact CE2-CD1 4.49Å; F545-F564 AromaticContact CE2-CD2 3.66Å; F545-F564 HydrophobicContact CE2-CD2 3.66Å; F545-F564 AromaticContact CE2-CG 3.63Å; F545-F564 HydrophobicContact CE2-CG 3.63Å; F545-F564 HydrophobicContact CG-CB 4.5Å; F545-F564 HydrophobicContact CZ-CB 3.62Å; F545-F564 AromaticContact CZ-CD1 3.85Å; F545-F564 HydrophobicContact CZ-CD1 3.85Å; F545-F564 AromaticContact CZ-CD2 3.71Å; F545-F564 HydrophobicContact CZ-CD2 3.71Å; F545-F564 HydrophobicContact CZ-CE1 4.5Å; F545-F564 HydrophobicContact CZ-CE2 4.35Å; F545-F564 AromaticContact CZ-CG 3.43Å; F545-F564 HydrophobicContact CZ-CG 3.43Å; F545-F564 VanDerWaalsContact CZ-CG 3.43Å; F545-F564 WeakPolarHBondContact O-CB 3.37Å; F545-F564 PolarHBondContact O-N 2.63Å; F545-Y657 HydrophobicContact CB-CD1 3.87Å; F545-Y657 HydrophobicContact CB-CE1 3.84Å; F545-Y657 HydrophobicContact CD1-CE1 4.35Å; F545-Y657 HydrophobicContact CG-CE1 4.31Å; F545-R659 HydrophobicContact CE2-CB 4.26Å; F545-R659 HydrophobicContact CE2-CG 3.75Å; F545-R659 HydrophobicContact CZ-CG 4.36Å
546	P	95.7	Very high	93.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	142.7	179.4	29.3	-27.3	0	0	0	113.2	W539 Q561 R562 W613 F615 Y658 R659	W539-P546 HydrophobicContact CH2-CG 3.76Å; W539-P546 HydrophobicContact CZ2-CG 4.3Å; P546-Q561 HydrophobicContact CB-CB 4.33Å; P546-R562 CarbonylContact C-O 3.55Å; P546-R562 WeakPolarHBondContact CA-O 3.45Å; P546-W613 HydrophobicContact CB-CD2 4.34Å; P546-W613 HydrophobicContact CB-CE3 3.7Å; P546-W613 HydrophobicContact CB-CZ3 4.07Å; P546-W613 HydrophobicContact CG-CB 4.38Å; P546-W613 HydrophobicContact CG-CD2 4.14Å; P546-W613 HydrophobicContact CG-CE3 4.01Å; P546-W613 HydrophobicContact CG-CG 4.32Å; P546-F615 HydrophobicContact CB-CZ 4.43Å; P546-F615 HydrophobicContact CG-CE1 3.8Å; P546-F615 HydrophobicContact CG-CZ 3.68Å; P546-Y658 VanDerWaalsContact O-CB 3.29Å; P546-Y658 WeakPolarHBondContact O-CB 3.34Å; P546-R659 PolarHBondContact O-N 2.86Å
547	L	96.6	Very high	93.7	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.1	158.7	176.1	61.7	0	0	0	108.5	R562 F564 R659 V661 L696 L701	L547-R562 HydrophobicContact CB-CG 4.36Å; L547-R562 PolarHBondContact N-O 3.03Å; L547-R562 PolarHBondContact O-N 3.11Å; L547-F564 HydrophobicContact CB-CB 4.32Å; L547-F564 HydrophobicContact CB-CD2 4.18Å; L547-F564 HydrophobicContact CD1-CD2 4.46Å; L547-R659 HydrophobicContact CD1-CB 4.15Å; L547-V661 HydrophobicContact CD1-CB 4.37Å; L547-V661 HydrophobicContact CD1-CG1 4.16Å; L547-V661 HydrophobicContact CD2-CG1 4.45Å; L547-V661 HydrophobicContact CG-CG1 4.32Å; L547-L696 HydrophobicContact CD1-CD2 3.77Å; L547-L696 HydrophobicContact CD2-CD2 4.4Å; L547-L701 HydrophobicContact CD2-CD1 3.85Å
548	L	97.9	Very high	93.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.2	174.6	-62.5	-171.1	0	0	0	110.7	I559 S560 Q561 F615 V617 V650 Y658 R659 V660 V661	L548-I559 HydrophobicContact CB-CG2 4.29Å; L548-I559 HydrophobicContact CD1-CG2 4.21Å; L548-I559 HydrophobicContact CD2-CG2 4.29Å; L548-S560 CarbonylContact C-O 3.54Å; L548-S560 VanDerWaalsContact CA-O 3.3Å; L548-S560 WeakPolarHBondContact CA-O 3.47Å; L548-Q561 HydrophobicContact CD2-CB 3.6Å; L548-F615 HydrophobicContact CD1-CE2 4.32Å; L548-F615 HydrophobicContact CD1-CZ 4.43Å; L548-F615 HydrophobicContact CD2-CZ 4.04Å; L548-V617 HydrophobicContact CD1-CG1 4.14Å; L548-V617 HydrophobicContact CD1-CG2 3.97Å; L548-V650 HydrophobicContact CD1-CG1 4.24Å; L548-Y658 HydrophobicContact CD1-CD2 3.5Å; L548-Y658 HydrophobicContact CD1-CE2 3.52Å; L548-Y658 HydrophobicContact CD1-CG 4.27Å; L548-Y658 HydrophobicContact CG-CD2 3.95Å; L548-Y658 HydrophobicContact CG-CE2 4.45Å; L548-R659 PolarHBondContact N-O 3.29Å; L548-V660 HydrophobicContact CB-CG1 4.46Å; L548-V660 HydrophobicContact CB-CG2 4.45Å; L548-V660 WeakPolarHBondContact O-CA 3.47Å; L548-V661 PolarHBondContact O-N 3.32Å
549	T	97.8	Very high	94.1	Very high	39 Å²	39	30.4 Å²	30.4	24%	0.239	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117.1	170.9	-61.8	0	0	0	0	109.2	T551 I559 S560 V661	T549-T551 HydrophobicContact CG2-CG2 4.47Å; T549-I559 WeakPolarHBondContact O-CA 3.48Å; T549-S560 WeakPolarHBondContact CB-OG 3.43Å; T549-S560 PolarHBondContact N-O 3.06Å; T549-S560 PolarHBondContact O-N 3.12Å; T549-S560 PolarHBondContact O-OG 3.26Å; T549-V661 WeakPolarHBondContact CA-O 3.43Å; T549-V661 HydrophobicContact CG2-CG1 4.2Å; T549-V661 VanDerWaalsContact OG1-CG1 3.29Å; T549-V661 WeakPolarHBondContact OG1-CG1 3.29Å
550	V	97.8	Very high	94.2	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.9	-176.5	-177.7	0	0	0	0	108.8	I557 S558 I559 I648 V650 V660 V661 Y662 N663	V550-I557 HydrophobicContact CG1-CG2 4.21Å; V550-S558 WeakPolarHBondContact CA-O 3.37Å; V550-I559 HydrophobicContact CG1-CG1 4.43Å; V550-I559 HydrophobicContact CG2-CG1 4.22Å; V550-I559 HydrophobicContact CG2-CG2 4.45Å; V550-I648 HydrophobicContact CG1-CG2 4.05Å; V550-V650 HydrophobicContact CG1-CG2 4.36Å; V550-V650 HydrophobicContact CG2-CB 4.39Å; V550-V650 HydrophobicContact CG2-CG2 3.81Å; V550-V660 HydrophobicContact CB-CG1 4.45Å; V550-V660 HydrophobicContact CG2-CG1 3.49Å; V550-V660 VanDerWaalsContact CG2-CG1 3.49Å; V550-V661 PolarHBondContact N-O 2.96Å; V550-Y662 HydrophobicContact CB-CD1 3.66Å; V550-Y662 HydrophobicContact CB-CE1 4.05Å; V550-Y662 HydrophobicContact CG1-CD1 3.86Å; V550-Y662 HydrophobicContact CG1-CE1 4.14Å; V550-Y662 HydrophobicContact CG2-CD1 4.18Å; V550-Y662 HydrophobicContact CG2-CE1 4.09Å; V550-Y662 CarbonylContact O-C 3.16Å; V550-Y662 WeakPolarHBondContact O-CA 3.46Å; V550-N663 PolarHBondContact O-N 3.28Å; V550-N663 VanDerWaalsContact O-N 3.07Å
551	T	96.4	Very high	94.3	Very high	47 Å²	47	32.4 Å²	32.4	29%	0.288	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.7	177.3	50.5	0	0	0	0	109.4	T549 I557 S558 N663	T549-T551 HydrophobicContact CG2-CG2 4.47Å; T551-I557 WeakPolarHBondContact O-CA 2.95Å; T551-S558 PolarHBondContact N-O 3.12Å; T551-S558 PolarHBondContact O-N 2.74Å; T551-S558 WeakPolarHBondContact OG1-CB 3.21Å; T551-S558 PolarHBondContact OG1-O 3.44Å; T551-N663 HydrophobicContact CG2-CB 4.46Å
552	K	91.9	Very high	94.4	Very high	35 Å²	35	32.3 Å²	32.3	15%	0.152	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	117.2	173.9	177.7	174.6	-170.6	-61.4	0	109.3	G554 I557 V645 N663	K552-G554 PolarHBondContact NZ-O 3.5Å; K552-I557 HydrophobicContact CB-CD1 3.56Å; K552-I557 HydrophobicContact CD-CD1 3.96Å; K552-I557 HydrophobicContact CG-CD1 3.49Å; K552-I557 VanDerWaalsContact CG-CD1 3.49Å; K552-V645 WeakPolarHBondContact CE-O 3.29Å; K552-V645 PolarHBondContact NZ-O 2.91Å; K552-N663 PolarHBondContact N-OD1 3.45Å; K552-N663 PolarHBondContact O-ND2 3.05Å
553	M	90.1	Very high	94.5	Very high	138 Å²	138	32.4 Å²	32.4	68%	0.68	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	99	174.5	-67	-170	-65.8	0	0	109.2	N555 S556	M553-N555 PolarHBondContact O-N 3Å; M553-N555 VanDerWaalsContact O-N 3.16Å; M553-S556 PolarHBondContact N-O 2.86Å; M553-S556 PolarHBondContact O-N 2.81Å; M553-S556 VanDerWaalsContact O-N 3.08Å
554	G	87.6	Confident	94.6	Very high	55 Å²	55	31.5 Å²	31.5	57%	0.567	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	-114.9	-170.8	0	0	0	0	0	111.5	K552	K552-G554 PolarHBondContact NZ-O 3.5Å
555	N	92.1	Very high	94.5	Very high	49 Å²	49	39.4 Å²	39.4	26%	0.262	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-22.9	177.8	178.2	-34	0	0	0	112.5	M553 N640 V641 E643	M553-N555 PolarHBondContact O-N 3Å; M553-N555 VanDerWaalsContact O-N 3.16Å; N555-N640 WeakPolarHBondContact OD1-CA 3.45Å; N555-N640 WeakPolarHBondContact OD1-CB 3.45Å; N555-V641 PolarHBondContact ND2-O 3.36Å; N555-V641 VanDerWaalsContact ND2-O 3.12Å; N555-V641 WeakPolarHBondContact O-CG2 3.12Å; N555-V641 PolarHBondContact O-N 2.97Å; N555-V641 PolarHBondContact OD1-N 2.98Å; N555-V641 PolarHBondContact OD1-O 3.5Å; N555-E643 HydrophobicContact CB-CG 4.19Å
556	S	94.8	Very high	94.1	Very high	44 Å²	44	41 Å²	41	31%	0.308	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	125.7	-177.8	-175.5	0	0	0	0	111.3	M553	M553-S556 PolarHBondContact N-O 2.86Å; M553-S556 PolarHBondContact O-N 2.81Å; M553-S556 VanDerWaalsContact O-N 3.08Å
557	I	96.3	Very high	93.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.2	169.7	-55.3	-58.2	0	0	0	109	V550 T551 K552 I559 T638 F639 V641 I648	V550-I557 HydrophobicContact CG1-CG2 4.21Å; T551-I557 WeakPolarHBondContact O-CA 2.95Å; K552-I557 HydrophobicContact CB-CD1 3.56Å; K552-I557 HydrophobicContact CD-CD1 3.96Å; K552-I557 HydrophobicContact CG-CD1 3.49Å; K552-I557 VanDerWaalsContact CG-CD1 3.49Å; I557-I559 HydrophobicContact CG2-CG1 4.03Å; I557-T638 VanDerWaalsContact O-CA 3.27Å; I557-T638 WeakPolarHBondContact O-CA 3.38Å; I557-F639 HydrophobicContact CB-CD1 4.25Å; I557-F639 HydrophobicContact CB-CE1 3.86Å; I557-F639 HydrophobicContact CB-CE2 4.21Å; I557-F639 HydrophobicContact CB-CZ 3.85Å; I557-F639 HydrophobicContact CG1-CE2 4.25Å; I557-F639 HydrophobicContact CG1-CZ 4.2Å; I557-F639 HydrophobicContact CG2-CD1 4.41Å; I557-F639 HydrophobicContact CG2-CE1 3.64Å; I557-F639 HydrophobicContact CG2-CZ 3.74Å; I557-F639 PolarHBondContact N-O 3.4Å; I557-F639 PolarHBondContact O-N 2.97Å; I557-V641 HydrophobicContact CD1-CG2 4.11Å; I557-V641 HydrophobicContact CG1-CG1 3.83Å; I557-V641 HydrophobicContact CG1-CG2 3.88Å; I557-I648 HydrophobicContact CD1-CG2 4.1Å; I557-I648 HydrophobicContact CG1-CD1 4.23Å; I557-I648 HydrophobicContact CG2-CD1 4.15Å
558	S	96.6	Very high	92.8	Very high	30 Å²	30	49.3 Å²	49.3	21%	0.21	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126	169.2	179.6	0	0	0	0	110	V550 T551	V550-S558 WeakPolarHBondContact CA-O 3.37Å; T551-S558 PolarHBondContact N-O 3.12Å; T551-S558 PolarHBondContact O-N 2.74Å; T551-S558 WeakPolarHBondContact OG1-CB 3.21Å; T551-S558 PolarHBondContact OG1-O 3.44Å
559	I	97.4	Very high	92.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.8	175.3	-55.1	-174.8	0	0	0	108	L548 T549 V550 I557 V617 L630 D636 V637 F639 V650	L548-I559 HydrophobicContact CB-CG2 4.29Å; L548-I559 HydrophobicContact CD1-CG2 4.21Å; L548-I559 HydrophobicContact CD2-CG2 4.29Å; T549-I559 WeakPolarHBondContact O-CA 3.48Å; V550-I559 HydrophobicContact CG1-CG1 4.43Å; V550-I559 HydrophobicContact CG2-CG1 4.22Å; V550-I559 HydrophobicContact CG2-CG2 4.45Å; I557-I559 HydrophobicContact CG2-CG1 4.03Å; I559-V617 HydrophobicContact CD1-CG1 4.27Å; I559-L630 HydrophobicContact CD1-CD2 4.33Å; I559-D636 CarbonylContact O-C 3.57Å; I559-D636 WeakPolarHBondContact O-CA 3.13Å; I559-V637 PolarHBondContact N-O 3.09Å; I559-V637 PolarHBondContact O-N 2.75Å; I559-F639 HydrophobicContact CD1-CE1 3.88Å; I559-F639 HydrophobicContact CD1-CZ 4.49Å; I559-F639 HydrophobicContact CG1-CE1 4.25Å; I559-V650 HydrophobicContact CD1-CG2 4.11Å
560	S	97.1	Very high	91.5	Very high	35 Å²	35	53.4 Å²	53.4	25%	0.245	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	143.8	174.9	59.3	0	0	0	0	110.6	L548 T549 V635 D636	L548-S560 CarbonylContact C-O 3.54Å; L548-S560 VanDerWaalsContact CA-O 3.3Å; L548-S560 WeakPolarHBondContact CA-O 3.47Å; T549-S560 WeakPolarHBondContact CB-OG 3.43Å; T549-S560 PolarHBondContact N-O 3.06Å; T549-S560 PolarHBondContact O-N 3.12Å; T549-S560 PolarHBondContact O-OG 3.26Å; S560-V635 CarbonylContact C-O 3.58Å; S560-V635 WeakPolarHBondContact CA-O 3.39Å; S560-D636 WeakPolarHBondContact CA-OD1 3.39Å; S560-D636 WeakPolarHBondContact CB-OD1 3.4Å
561	Q	95.6	Very high	90.7	Very high	10 Å²	10	53.8 Å²	53.8	5%	0.047	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	141.5	174.2	67	170.2	-64.4	0	0	111.5	P546 L548 W613 M632 N634 V635	P546-Q561 HydrophobicContact CB-CB 4.33Å; L548-Q561 HydrophobicContact CD2-CB 3.6Å; Q561-W613 PolarHBondContact NE2-O 2.71Å; Q561-W613 PolarHBondContact OE1-O 3.5Å; Q561-M632 HydrophobicContact CB-CE 3.84Å; Q561-M632 HydrophobicContact CG-CE 3.74Å; Q561-M632 HydrophobicContact CG-CG 4.46Å; Q561-M632 VanDerWaalsContact NE2-CG 3.27Å; Q561-N634 PolarHBondContact NE2-O 2.89Å; Q561-V635 WeakPolarHBondContact CG-O 3.47Å; Q561-V635 PolarHBondContact N-O 3.37Å
562	R	94.3	Very high	90.1	Very high	103 Å²	103	52.1 Å²	52.1	39%	0.389	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	155	165.1	61.2	-179.1	179.3	144.6	1.7	110.1	P546 L547 F564	P546-R562 CarbonylContact C-O 3.55Å; P546-R562 WeakPolarHBondContact CA-O 3.45Å; L547-R562 HydrophobicContact CB-CG 4.36Å; L547-R562 PolarHBondContact N-O 3.03Å; L547-R562 PolarHBondContact O-N 3.11Å; R562-F564 PolarHBondContact O-N 3.48Å
563	P	92.9	Very high	89.6	Confident	40 Å²	40	57.4 Å²	57.4	26%	0.26	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	132.9	170.3	-24.3	33.9	0	0	0	110.8	R565 M611 W613	P563-R565 PolarHBondContact O-N 3.34Å; P563-M611 HydrophobicContact CG-CB 3.86Å; P563-W613 HydrophobicContact CB-CH2 4.01Å; P563-W613 HydrophobicContact CB-CZ3 4.16Å; P563-W613 HydrophobicContact CG-CH2 4.08Å; P563-W613 HydrophobicContact CG-CZ3 3.92Å
564	F	92.9	Very high	88.7	Confident	20 Å²	20	54 Å²	54	9%	0.088	28%	0.284	C	S	.	.			trans	-62.7	127.9	173.5	-176.9	-78.9	0	0	0	109.5	A456 F545 L547 R562 P566 T695 L696 A699 L701	A456-F564 HydrophobicContact CB-CD1 3.93Å; A456-F564 HydrophobicContact CB-CE1 3.38Å; A456-F564 HydrophobicContact CB-CZ 3.78Å; A456-F564 WeakPolarHBondContact O-CE1 3.32Å; F545-F564 HydrophobicContact CD2-CB 3.98Å; F545-F564 HydrophobicContact CE1-CB 4.18Å; F545-F564 HydrophobicContact CE1-CD1 4.38Å; F545-F564 HydrophobicContact CE1-CG 4.23Å; F545-F564 HydrophobicContact CE2-CB 3.5Å; F545-F564 VanDerWaalsContact CE2-CB 3.5Å; F545-F564 HydrophobicContact CE2-CD1 4.49Å; F545-F564 AromaticContact CE2-CD2 3.66Å; F545-F564 HydrophobicContact CE2-CD2 3.66Å; F545-F564 AromaticContact CE2-CG 3.63Å; F545-F564 HydrophobicContact CE2-CG 3.63Å; F545-F564 HydrophobicContact CG-CB 4.5Å; F545-F564 HydrophobicContact CZ-CB 3.62Å; F545-F564 AromaticContact CZ-CD1 3.85Å; F545-F564 HydrophobicContact CZ-CD1 3.85Å; F545-F564 AromaticContact CZ-CD2 3.71Å; F545-F564 HydrophobicContact CZ-CD2 3.71Å; F545-F564 HydrophobicContact CZ-CE1 4.5Å; F545-F564 HydrophobicContact CZ-CE2 4.35Å; F545-F564 AromaticContact CZ-CG 3.43Å; F545-F564 HydrophobicContact CZ-CG 3.43Å; F545-F564 VanDerWaalsContact CZ-CG 3.43Å; F545-F564 WeakPolarHBondContact O-CB 3.37Å; F545-F564 PolarHBondContact O-N 2.63Å; L547-F564 HydrophobicContact CB-CB 4.32Å; L547-F564 HydrophobicContact CB-CD2 4.18Å; L547-F564 HydrophobicContact CD1-CD2 4.46Å; R562-F564 PolarHBondContact O-N 3.48Å; F564-P566 HydrophobicContact CE1-CG 4.25Å; F564-T695 HydrophobicContact CZ-CG2 4.34Å; F564-L696 HydrophobicContact CE2-CD2 3.89Å; F564-A699 HydrophobicContact CE1-CB 4.42Å; F564-A699 HydrophobicContact CZ-CB 3.79Å; F564-L701 HydrophobicContact CE2-CD1 4Å; F564-L701 HydrophobicContact CZ-CD1 4.18Å
565	R	88.7	Confident	87.1	Confident	179 Å²	179	58.2 Å²	58.2	68%	0.675	29%	0.293	S	S	*	.			trans	-144.5	131.9	171.8	-68.6	-170.9	175.7	170.9	-0.8	109.1	P563	P563-R565 PolarHBondContact O-N 3.34Å
566	P	85.3	Confident	85.2	Confident	37 Å²	37	60.4 Å²	60.4	24%	0.24	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-56.3	157	167.1	-21.2	32.5	0	0	0	111.3	A456 F564 F569 A699	A456-P566 WeakPolarHBondContact O-CD 3.27Å; A456-P566 VanDerWaalsContact O-CG 3.31Å; A456-P566 WeakPolarHBondContact O-CG 3.44Å; F564-P566 HydrophobicContact CE1-CG 4.25Å; P566-F569 HydrophobicContact CB-CE1 4.08Å; P566-F569 HydrophobicContact CB-CZ 4.24Å; P566-A699 HydrophobicContact CB-CB 4.29Å
567	A	82.3	Confident	82.9	Confident	25 Å²	25	61.8 Å²	61.8	21%	0.207	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-60.8	158.5	169.1	0	0	0	0	0	111.2	A699 N700	A567-A699 PolarHBondContact N-O 3.09Å; A567-N700 HydrophobicContact CB-CB 3.8Å; A567-N700 WeakPolarHBondContact CB-ND2 3.28Å
568	E	83.1	Confident	80.6	Confident	150 Å²	150	67.6 Å²	67.6	70%	0.701	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-59.7	138	177.3	-68.3	-175.5	170.2	0	0	111.8	L570	E568-L570 VanDerWaalsContact C-N 3.32Å; E568-L570 HydrophobicContact CB-CD2 4.15Å; E568-L570 HydrophobicContact CB-CG 4.24Å; E568-L570 PolarHBondContact O-N 3.41Å; E568-L570 VanDerWaalsContact O-N 3.07Å
569	F	85	Confident	78.3	Confident	53 Å²	53	67.5 Å²	67.5	23%	0.232	35%	0.346	C	S	.	.			trans	-83.4	71.7	179.3	-47.9	-47.7	0	0	0	110.1	P566 I572 H573 A964 E968	P566-F569 HydrophobicContact CB-CE1 4.08Å; P566-F569 HydrophobicContact CB-CZ 4.24Å; F569-I572 HydrophobicContact CB-CD1 3.98Å; F569-I572 HydrophobicContact CB-CG1 3.91Å; F569-I572 WeakPolarHBondContact O-CG1 3.31Å; F569-H573 PolarHBondContact O-CD2 3.21Å; F569-H573 VanDerWaalsContact O-CD2 3.3Å; F569-A964 HydrophobicContact CB-CB 4.17Å; F569-A964 HydrophobicContact CD1-CB 4.34Å; F569-A964 HydrophobicContact CD2-CB 3.71Å; F569-A964 HydrophobicContact CE2-CB 4.15Å; F569-A964 HydrophobicContact CG-CB 3.82Å; F569-E968 WeakPolarHBondContact CA-OE2 3.24Å; F569-E968 HydrophobicContact CD1-CB 4.29Å
570	L	83.1	Confident	75.6	Confident	71 Å²	71	73.9 Å²	73.9	37%	0.372	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-72.4	-33.2	-177.7	-60.1	178.9	0	0	0	112.4	E568 I572 H573 D574 Y577 E968	E568-L570 VanDerWaalsContact C-N 3.32Å; E568-L570 HydrophobicContact CB-CD2 4.15Å; E568-L570 HydrophobicContact CB-CG 4.24Å; E568-L570 PolarHBondContact O-N 3.41Å; E568-L570 VanDerWaalsContact O-N 3.07Å; L570-I572 PolarHBondContact O-N 2.79Å; L570-H573 PolarHBondContact O-N 3.17Å; L570-D574 PolarHBondContact O-N 3.3Å; L570-Y577 HydrophobicContact CB-CE2 4.38Å; L570-E968 PolarHBondContact N-OE2 3.4Å
571	A	81.3	Confident	73	Confident	8 Å²	8	78.8 Å²	78.8	7%	0.066	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-66.7	-17	-176.4	0	0	0	0	0	114.1	H573 Y577 V967 E968 A971	A571-H573 VanDerWaalsContact C-N 3.32Å; A571-Y577 HydrophobicContact CB-CD1 4.34Å; A571-V967 HydrophobicContact CB-CG1 3.97Å; A571-E968 WeakPolarHBondContact CB-OE2 3.47Å; A571-E968 PolarHBondContact N-OE2 3.02Å; A571-A971 HydrophobicContact CB-CB 3.99Å
572	I	83.8	Confident	70.3	Confident	12 Å²	12	85.2 Å²	85.2	6%	0.062	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-82.3	-11.6	172.1	58.9	161.4	0	0	0	112.8	F569 L570 Y937 A964 V967	F569-I572 HydrophobicContact CB-CD1 3.98Å; F569-I572 HydrophobicContact CB-CG1 3.91Å; F569-I572 WeakPolarHBondContact O-CG1 3.31Å; L570-I572 PolarHBondContact O-N 2.79Å; I572-Y937 HydrophobicContact CB-CD1 4.11Å; I572-Y937 HydrophobicContact CB-CE1 4.2Å; I572-Y937 HydrophobicContact CD1-CE1 3.96Å; I572-Y937 HydrophobicContact CD1-CE2 4.34Å; I572-Y937 HydrophobicContact CG2-CD1 4.03Å; I572-Y937 HydrophobicContact CG2-CD2 4.21Å; I572-Y937 HydrophobicContact CG2-CE1 4.39Å; I572-Y937 HydrophobicContact CG2-CG 3.92Å; I572-A964 HydrophobicContact CD1-CB 4.22Å; I572-A964 HydrophobicContact CG2-CB 4.19Å; I572-V967 HydrophobicContact CG2-CB 4.11Å; I572-V967 HydrophobicContact CG2-CG1 4.06Å; I572-V967 HydrophobicContact CG2-CG2 4.42Å
573	H	80.9	Confident	67.6	Low	146 Å²	146	87.2 Å²	87.2	68%	0.676	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-22.3	-176.1	-66.2	-54.9	0	0	0	114.2	F569 L570 A571	F569-H573 PolarHBondContact O-CD2 3.21Å; F569-H573 VanDerWaalsContact O-CD2 3.3Å; L570-H573 PolarHBondContact O-N 3.17Å; A571-H573 VanDerWaalsContact C-N 3.32Å
574	D	71.1	Confident	64.9	Low	66 Å²	66	94 Å²	94	35%	0.353	47%	0.473	S	S	.	.			trans	-117.3	124.4	-173.9	-177.3	2.6	0	0	0	111.2	L570 S576	L570-D574 PolarHBondContact O-N 3.3Å; D574-S576 VanDerWaalsContact C-N 3.27Å; D574-S576 WeakPolarHBondContact OD1-CA 3.49Å; D574-S576 PolarHBondContact OD1-N 3.2Å; D574-S576 PolarHBondContact OD1-OG 3.25Å
575	D	55.3	Low	62	Low	144 Å²	144	98.8 Å²	98.8	77%	0.77	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-13.7	176.5	-73.4	-54.6	0	0	0	113.3	K934	D575-K934 IonicContact OD1-NZ 2.63Å; D575-K934 PolarHBondContact OD1-NZ 2.71Å; D575-K934 IonicContact OD2-NZ 3.07Å; D575-K934 PolarHBondContact OD2-NZ 2.69Å; D575-K934 VanDerWaalsContact OD2-NZ 3.07Å
576	S	50.9	Low	59.2	Low	95 Å²	95	95.6 Å²	95.6	66%	0.664	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	11.9	-173.4	65.4	0	0	0	0	114.2	D574 D578	D574-S576 VanDerWaalsContact C-N 3.27Å; D574-S576 WeakPolarHBondContact OD1-CA 3.49Å; D574-S576 PolarHBondContact OD1-N 3.2Å; D574-S576 PolarHBondContact OD1-OG 3.25Å; S576-D578 PolarHBondContact O-N 3.18Å
577	Y	47.5	Very low	56.8	Low	73 Å²	73	101.2 Å²	101.2	29%	0.286	53%	0.531	S	S	.	.			trans	-65.2	96.1	-174.9	-169.3	-99.1	0	0	0	111.6	L570 A571 A971 R972	L570-Y577 HydrophobicContact CB-CE2 4.38Å; A571-Y577 HydrophobicContact CB-CD1 4.34Å; Y577-A971 HydrophobicContact CD1-CB 4.47Å; Y577-R972 HydrophobicContact CE1-CG 4.3Å; Y577-R972 VanDerWaalsContact OH-CZ 3.29Å; Y577-R972 PolarHBondContact OH-NE 2.98Å; Y577-R972 PolarHBondContact OH-NH2 2.66Å
578	D	46.8	Very low	54.1	Low	123 Å²	123	106.5 Å²	106.5	66%	0.658	56%	0.556	S	S	*	*			trans	-96.6	114.5	171.7	-164.6	9.7	0	0	0	108.5	S576 N580	S576-D578 PolarHBondContact O-N 3.18Å; D578-N580 PolarHBondContact O-N 3.03Å
579	G	48.6	Very low	51.7	Low	27 Å²	27	103.5 Å²	103.5	28%	0.278	56%	0.557	S	S	.	*	S	Bend	trans	-66.2	21.2	-165.8	0	0	0	0	0	117	N581	G579-N581 VanDerWaalsContact C-N 3.33Å; G579-N581 PolarHBondContact O-N 3.17Å
580	N	41.8	Very low	49.1	Very low	134 Å²	134	106.7 Å²	106.7	72%	0.717	58%	0.581	S	S	*	*			trans	-81.6	3.1	-173.8	-82.9	-33.9	0	0	0	115.4	D578 Y582	D578-N580 PolarHBondContact O-N 3.03Å; N580-Y582 PolarHBondContact O-N 3.28Å
581	N	42.5	Very low	46.4	Very low	139 Å²	139	110.9 Å²	110.9	74%	0.743	60%	0.603	S	S	*	*			trans	-96.7	53.1	-176.6	-115.4	-15.3	0	0	0	113.5	G579 N583	G579-N581 VanDerWaalsContact C-N 3.33Å; G579-N581 PolarHBondContact O-N 3.17Å; N581-N583 PolarHBondContact O-N 2.97Å; N581-N583 VanDerWaalsContact O-N 3.1Å
582	Y	38.2	Very low	44.2	Very low	145 Å²	145	118.5 Å²	118.5	57%	0.569	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-5	-178	-141.8	-92.4	0	0	0	114.5	N580	N580-Y582 PolarHBondContact O-N 3.28Å
583	N	37.3	Very low	41.7	Very low	144 Å²	144	123.9 Å²	123.9	77%	0.77	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	17.1	-168.1	-74	-8.5	0	0	0	116.3	N581	N581-N583 PolarHBondContact O-N 2.97Å; N581-N583 VanDerWaalsContact O-N 3.1Å
584	K	36.2	Very low	39	Very low	184 Å²	184	121.9 Å²	121.9	80%	0.8	68%	0.678	S	S	*	*	S	Bend	trans	-125.9	7.6	179.9	-105.4	-175.4	-179.2	-179.3	0	118.1
585	T	31.8	Very low	37	Very low	119 Å²	119	124.9 Å²	124.9	73%	0.73	70%	0.699	S	S	*	*			trans	-130.1	41.7	171.8	49.1	0	0	0	0	112.6
586	T	30.5	Very low	35.7	Very low	113 Å²	113	125.3 Å²	125.3	69%	0.693	71%	0.706	S	S	*	*	S	Bend	trans	-66.1	128.1	144.5	34.7	0	0	0	0	107.3	N588	T586-N588 VanDerWaalsContact C-N 3.28Å; T586-N588 PolarHBondContact O-N 3.37Å
587	L	35.7	Very low	34.5	Very low	154 Å²	154	125 Å²	125	81%	0.806	71%	0.709	S	S	*	*			trans	-57.3	90.3	171.6	-82.2	136.5	0	0	0	109.7	A589	L587-A589 PolarHBondContact O-N 2.94Å
588	N	24.8	Very low	33.4	Very low	137 Å²	137	128 Å²	128	73%	0.733	74%	0.736	S	S	*	*			trans	-78.2	100.8	150.3	-78.9	-1.7	0	0	0	106.4	T586 T590	T586-N588 VanDerWaalsContact C-N 3.28Å; T586-N588 PolarHBondContact O-N 3.37Å; N588-T590 PolarHBondContact O-N 3.47Å
589	A	33.5	Very low	32.4	Very low	86 Å²	86	128.2 Å²	128.2	71%	0.711	74%	0.741	S	S	*	*	S	Bend	trans	-52.8	132.9	153.6	0	0	0	0	0	107.3	L587	L587-A589 PolarHBondContact O-N 2.94Å
590	T	30.7	Very low	31.3	Very low	120 Å²	120	133 Å²	133	74%	0.736	77%	0.765	S	S	*	*			trans	81.8	87.6	-167.4	79	0	0	0	0	114.2	N588	N588-T590 PolarHBondContact O-N 3.47Å
591	D	26.1	Very low	30.6	Very low	159 Å²	159	136 Å²	136	85%	0.85	78%	0.775	S	S	*	*				-172.2	127.2	122.7	-89.5	-25.2	0	0	0	112.4
592	M	34.9	Very low	29.8	Very low	168 Å²	168	133.7 Å²	133.7	83%	0.828	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-75.8	138.1	171	-77.9	-84.6	-68.6	0	0	110
593	P	30.1	Very low	29.3	Very low	125 Å²	125	130.7 Å²	130.7	81%	0.812	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-87.5	117.6	166	17.8	-4.3	0	0	0	110.8
594	S	25.5	Very low	28.8	Very low	104 Å²	104	133.8 Å²	133.8	73%	0.727	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-83.5	127.9	163.9	-55.7	0	0	0	0	109.8
595	T	29	Very low	28.7	Very low	130 Å²	130	133.1 Å²	133.1	80%	0.798	79%	0.79	S	S	*	*			trans	35.3	112.3	145.5	49.8	0	0	0	0	120
596	V	26.6	Very low	28.5	Very low	153 Å²	153	136.8 Å²	136.8	93%	0.927	80%	0.796	S	S	*	*				-138.6	138.3	129	-173.6	0	0	0	0	108.9
597	A	25.9	Very low	28.6	Very low	88 Å²	88	137.8 Å²	137.8	73%	0.727	80%	0.802	S	S	*	*			trans	-77.7	145.9	-158.4	0	0	0	0	0	115.8
598	T	24.7	Very low	29	Very low	136 Å²	136	134 Å²	134	83%	0.834	79%	0.793	S	S	*	*			trans	-150.3	106.2	143.6	-3.8	0	0	0	0	109.6
599	T	25.5	Very low	30.1	Very low	127 Å²	127	132.9 Å²	132.9	78%	0.779	79%	0.793	S	S	*	*			trans	16.3	100.1	153.4	-5.2	0	0	0	0	119.5
600	T	26.2	Very low	31.6	Very low	128 Å²	128	137.1 Å²	137.1	79%	0.785	80%	0.798	S	S	*	*			trans	21.6	108.3	141.3	42.5	0	0	0	0	120.5
601	Q	26	Very low	34.1	Very low	198 Å²	198	135.2 Å²	135.2	93%	0.925	78%	0.781	S	S	*	*				-140.6	124.9	113.9	-80.1	-159.2	-5.7	0	0	109.4	S603	Q601-S603 PolarHBondContact O-N 3.41Å
602	G	27.6	Very low	37.2	Very low	90 Å²	90	131.4 Å²	131.4	93%	0.928	76%	0.757	S	S	*	*			trans	-71.9	114.4	-168.7	0	0	0	0	0	113.8
603	S	26.2	Very low	40	Very low	81 Å²	81	123.5 Å²	123.5	57%	0.566	72%	0.718	S	S	*	*			trans	-113.4	123.6	150.2	101.8	0	0	0	0	107.6	Q601 H605	Q601-S603 PolarHBondContact O-N 3.41Å; S603-H605 VanDerWaalsContact C-N 3.32Å; S603-H605 PolarHBondContact O-N 3.18Å
604	K	28.2	Very low	43	Very low	209 Å²	209	118.5 Å²	118.5	91%	0.909	69%	0.685	S	S	*	*			trans	-64.8	94.3	172.6	-73.9	178.1	176.3	177.6	0	107.6	K606	K604-K606 PolarHBondContact O-N 2.92Å
605	H	32.3	Very low	46.2	Very low	170 Å²	170	113.6 Å²	113.6	79%	0.787	65%	0.65	S	S	*	*			trans	-64.6	99.2	166.6	-85.1	-71.2	0	0	0	108.1	S603 V607	S603-H605 VanDerWaalsContact C-N 3.32Å; S603-H605 PolarHBondContact O-N 3.18Å; H605-V607 PolarHBondContact O-N 3.42Å
606	K	28.9	Very low	49.3	Very low	196 Å²	196	107.5 Å²	107.5	85%	0.852	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-56.3	118.6	160.9	-89	-178.9	171.9	179.5	0	106.9	K604 A608	K604-K606 PolarHBondContact O-N 2.92Å; K606-A608 PolarHBondContact O-N 2.97Å
607	V	31.9	Very low	52.5	Low	134 Å²	134	100.2 Å²	100.2	81%	0.812	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-51.5	116.4	164.9	178.6	0	0	0	0	106.8	H605	H605-V607 PolarHBondContact O-N 3.42Å
608	A	43.3	Very low	55.8	Low	76 Å²	76	96.2 Å²	96.2	63%	0.628	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-62.7	131	-179.7	0	0	0	0	0	108.3	K606 H610	K606-A608 PolarHBondContact O-N 2.97Å; A608-H610 PolarHBondContact O-N 2.98Å
609	P	49.6	Very low	59.2	Low	112 Å²	112	90.7 Å²	90.7	73%	0.727	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-58.4	137.7	176.9	24	-31.7	0	0	0	109.4	M611	P609-M611 PolarHBondContact O-N 3.2Å
610	H	64.4	Low	62.6	Low	176 Å²	176	85.3 Å²	85.3	82%	0.815	47%	0.466	S	S	*	.			trans	-56.6	105.4	174.7	-67.4	-76.8	0	0	0	109.5	A608 K612	A608-H610 PolarHBondContact O-N 2.98Å; H610-K612 PolarHBondContact O-N 2.98Å
611	M	83.3	Confident	65.9	Low	80 Å²	80	79.6 Å²	79.6	39%	0.394	43%	0.431	S	S	.	.			trans	-67.6	128.2	176.4	-78.4	-179.5	172.2	0	0	109.5	P543 P563 P609 W613	P543-M611 HydrophobicContact CG-CE 3.87Å; P563-M611 HydrophobicContact CG-CB 3.86Å; P609-M611 PolarHBondContact O-N 3.2Å; M611-W613 HydrophobicContact CB-CH2 4.34Å; M611-W613 HydrophobicContact CB-CZ3 4.42Å
612	K	90.5	Very high	69.1	Low	78 Å²	78	71.7 Å²	71.7	34%	0.339	40%	0.395	S	S	.	.			trans	-138	150.9	175.6	70.6	170.5	-172.8	164.8	0	110.5	H610 Q633	H610-K612 PolarHBondContact O-N 2.98Å; K612-Q633 PolarHBondContact NZ-O 3.01Å; K612-Q633 VanDerWaalsContact NZ-O 3.08Å
613	W	93.6	Very high	72.1	Confident	2 Å²	2	71.2 Å²	71.2	1%	0.008	37%	0.371	C	S	.	.			trans	-112	152.4	173.1	-67.4	-97.9	0	0	0	110.7	W539 P543 P546 Q561 P563 M611 F615	W539-W613 AromaticContact CD2-CD1 3.45Å; W539-W613 VanDerWaalsContact CD2-CD1 3.45Å; W539-W613 HydrophobicContact CD2-CG 4.37Å; W539-W613 AromaticContact CE2-CD1 3.53Å; W539-W613 AromaticContact CE3-CD1 3.58Å; W539-W613 AromaticContact CE3-NE1 3.8Å; W539-W613 HydrophobicContact CH2-CB 4.47Å; W539-W613 AromaticContact CH2-CD1 3.99Å; W539-W613 HydrophobicContact CH2-CG 4.2Å; W539-W613 HydrophobicContact CZ2-CB 3.86Å; W539-W613 AromaticContact CZ2-CD1 3.83Å; W539-W613 AromaticContact CZ2-CG 3.98Å; W539-W613 HydrophobicContact CZ2-CG 3.98Å; W539-W613 AromaticContact CZ3-CD1 3.83Å; W539-W613 HydrophobicContact CZ3-CG 4.42Å; W539-W613 AromaticContact CZ3-NE1 4Å; P543-W613 WeakPolarHBondContact O-CZ2 3.4Å; P546-W613 HydrophobicContact CB-CD2 4.34Å; P546-W613 HydrophobicContact CB-CE3 3.7Å; P546-W613 HydrophobicContact CB-CZ3 4.07Å; P546-W613 HydrophobicContact CG-CB 4.38Å; P546-W613 HydrophobicContact CG-CD2 4.14Å; P546-W613 HydrophobicContact CG-CE3 4.01Å; P546-W613 HydrophobicContact CG-CG 4.32Å; Q561-W613 PolarHBondContact NE2-O 2.71Å; Q561-W613 PolarHBondContact OE1-O 3.5Å; P563-W613 HydrophobicContact CB-CH2 4.01Å; P563-W613 HydrophobicContact CB-CZ3 4.16Å; P563-W613 HydrophobicContact CG-CH2 4.08Å; P563-W613 HydrophobicContact CG-CZ3 3.92Å; M611-W613 HydrophobicContact CB-CH2 4.34Å; M611-W613 HydrophobicContact CB-CZ3 4.42Å; W613-F615 HydrophobicContact CB-CD1 3.61Å; W613-F615 HydrophobicContact CB-CE1 3.68Å
614	I	92.8	Very high	75	Confident	21 Å²	21	69.9 Å²	69.9	11%	0.108	36%	0.357	C	S	.	.			trans	-114.1	122.5	171.1	-57.6	171.2	0	0	0	107.9	N531 M535 L538 W539 W631 M632	N531-I614 HydrophobicContact CB-CG2 3.65Å; M535-I614 VanDerWaalsContact CB-O 3.27Å; M535-I614 WeakPolarHBondContact CB-O 3.11Å; M535-I614 WeakPolarHBondContact CG-O 3.42Å; L538-I614 HydrophobicContact CD1-CB 3.96Å; L538-I614 HydrophobicContact CD1-CD1 3.77Å; L538-I614 HydrophobicContact CD1-CG1 3.64Å; W539-I614 PolarHBondContact NE1-O 2.99Å; I614-W631 HydrophobicContact CG2-CE3 4.27Å; I614-W631 HydrophobicContact CG2-CZ3 4.35Å; I614-M632 VanDerWaalsContact CA-O 3.27Å; I614-M632 WeakPolarHBondContact CA-O 3.21Å
615	F	93.9	Very high	77.5	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	160.4	-174.5	58	-76.7	0	0	0	112.3	M487 M535 W539 P546 L548 W613 V617 M632 Y658	M487-F615 HydrophobicContact CE-CB 4.43Å; M487-F615 HydrophobicContact SD-CB 3.93Å; M487-F615 HydrophobicContact SD-CD2 4.35Å; M487-F615 HydrophobicContact SD-CG 4.43Å; M535-F615 HydrophobicContact SD-CB 4.34Å; W539-F615 HydrophobicContact CZ2-CB 4Å; W539-F615 AromaticContact CZ2-CD1 3.67Å; W539-F615 HydrophobicContact CZ2-CD1 3.67Å; W539-F615 HydrophobicContact CZ2-CD2 4.29Å; W539-F615 HydrophobicContact CZ2-CE1 4.16Å; W539-F615 AromaticContact CZ2-CG 3.74Å; W539-F615 HydrophobicContact CZ2-CG 3.74Å; P546-F615 HydrophobicContact CB-CZ 4.43Å; P546-F615 HydrophobicContact CG-CE1 3.8Å; P546-F615 HydrophobicContact CG-CZ 3.68Å; L548-F615 HydrophobicContact CD1-CE2 4.32Å; L548-F615 HydrophobicContact CD1-CZ 4.43Å; L548-F615 HydrophobicContact CD2-CZ 4.04Å; W613-F615 HydrophobicContact CB-CD1 3.61Å; W613-F615 HydrophobicContact CB-CE1 3.68Å; F615-V617 HydrophobicContact CD2-CG2 4Å; F615-V617 HydrophobicContact CE2-CG2 3.6Å; F615-V617 HydrophobicContact CZ-CG2 4.28Å; F615-M632 HydrophobicContact CD1-CB 4.32Å; F615-M632 HydrophobicContact CE1-CB 4.14Å; F615-M632 HydrophobicContact CE1-CG 4.25Å; F615-M632 HydrophobicContact CZ-CB 4.35Å; F615-M632 HydrophobicContact CZ-CG 4.45Å; F615-M632 PolarHBondContact N-O 3.26Å; F615-M632 PolarHBondContact O-N 2.99Å; F615-Y658 AromaticContact CD2-CD1 3.72Å; F615-Y658 HydrophobicContact CD2-CD1 3.72Å; F615-Y658 AromaticContact CD2-CE1 3.64Å; F615-Y658 HydrophobicContact CD2-CE1 3.64Å; F615-Y658 AromaticContact CE2-CD1 3.29Å; F615-Y658 HydrophobicContact CE2-CD1 3.29Å; F615-Y658 HydrophobicContact CE2-CD2 4.47Å; F615-Y658 AromaticContact CE2-CE1 3.44Å; F615-Y658 HydrophobicContact CE2-CE1 3.44Å; F615-Y658 VanDerWaalsContact CE2-CE1 3.44Å; F615-Y658 AromaticContact CE2-CG 3.87Å; F615-Y658 HydrophobicContact CE2-CG 3.87Å; F615-Y658 HydrophobicContact CZ-CD1 4.21Å; F615-Y658 HydrophobicContact CZ-CG 4.46Å
616	P	93	Very high	80.1	Confident	3 Å²	3	61.2 Å²	61.2	2%	0.019	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	131.9	169.1	33.4	-38.1	0	0	0	111.2	M487 A491 T629 L630 W631	M487-P616 HydrophobicContact CG-CG 4.39Å; A491-P616 HydrophobicContact CB-CG 3.67Å; P616-T629 HydrophobicContact CB-CG2 3.67Å; P616-L630 CarbonylContact C-O 3.53Å; P616-W631 HydrophobicContact CB-CZ2 4.46Å
617	V	94.9	Very high	82.9	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.4	169.9	178.3	0	0	0	0	107.4	L548 I559 F615 T629 L630 M632 V650	L548-V617 HydrophobicContact CD1-CG1 4.14Å; L548-V617 HydrophobicContact CD1-CG2 3.97Å; I559-V617 HydrophobicContact CD1-CG1 4.27Å; F615-V617 HydrophobicContact CD2-CG2 4Å; F615-V617 HydrophobicContact CE2-CG2 3.6Å; F615-V617 HydrophobicContact CZ-CG2 4.28Å; V617-T629 WeakPolarHBondContact O-CA 3.38Å; V617-L630 PolarHBondContact N-O 3.33Å; V617-L630 PolarHBondContact O-N 2.97Å; V617-M632 HydrophobicContact CG2-CB 3.94Å; V617-V650 HydrophobicContact CG1-CG1 3.39Å
618	T	95.4	Very high	85.8	Confident	4 Å²	4	51.5 Å²	51.5	3%	0.025	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	147.7	177.1	52.7	0	0	0	0	110.4	T490 E628 V650 N651 A652 Y658	T490-T618 HydrophobicContact CG2-CG2 3.94Å; T618-E628 CarbonylContact C-O 3.54Å; T618-E628 WeakPolarHBondContact CA-O 3.31Å; T618-V650 CarbonylContact O-C 3.52Å; T618-V650 WeakPolarHBondContact O-CA 3.16Å; T618-N651 PolarHBondContact O-N 2.99Å; T618-A652 PolarHBondContact OG1-N 3.38Å; T618-A652 VanDerWaalsContact OG1-N 3.08Å; T618-Y658 PolarHBondContact N-OH 3.39Å
619	Y	96.1	Very high	88	Confident	20 Å²	20	51.6 Å²	51.6	8%	0.078	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	158.7	173.3	66.6	-93.6	0	0	0	112.9	T621 S627 E628 L630 F639 I648 K649	Y619-T621 HydrophobicContact CD2-CG2 4.35Å; Y619-S627 WeakPolarHBondContact O-CA 3.11Å; Y619-E628 HydrophobicContact CD1-CB 4.49Å; Y619-E628 HydrophobicContact CD2-CB 4.38Å; Y619-E628 HydrophobicContact CE1-CB 3.98Å; Y619-E628 HydrophobicContact CE2-CB 3.81Å; Y619-E628 HydrophobicContact CE2-CG 4.42Å; Y619-E628 WeakPolarHBondContact CE2-OE2 3.49Å; Y619-E628 VanDerWaalsContact CZ-OE2 3.24Å; Y619-E628 PolarHBondContact N-O 2.9Å; Y619-E628 PolarHBondContact O-N 2.96Å; Y619-E628 PolarHBondContact OH-OE2 2.86Å; Y619-L630 HydrophobicContact CE1-CB 4.38Å; Y619-F639 HydrophobicContact CD1-CZ 4.04Å; Y619-F639 HydrophobicContact CE1-CE1 4.44Å; Y619-F639 AromaticContact CE1-CE2 3.74Å; Y619-F639 HydrophobicContact CE1-CE2 3.74Å; Y619-F639 AromaticContact CE1-CZ 3.62Å; Y619-F639 HydrophobicContact CE1-CZ 3.62Å; Y619-F639 AromaticContact CE2-CE2 3.95Å; Y619-F639 HydrophobicContact CE2-CE2 3.95Å; Y619-F639 HydrophobicContact CE2-CZ 4.31Å; Y619-F639 AromaticContact CZ-CE2 3.42Å; Y619-F639 VanDerWaalsContact CZ-CE2 3.42Å; Y619-F639 AromaticContact CZ-CZ 3.79Å; Y619-F639 WeakPolarHBondContact OH-CE2 3.13Å; Y619-I648 HydrophobicContact CD2-CD1 3.78Å; Y619-I648 HydrophobicContact CD2-CG1 4.14Å; Y619-I648 HydrophobicContact CE2-CD1 4.44Å; Y619-I648 HydrophobicContact CG-CD1 3.91Å; Y619-I648 HydrophobicContact CG-CG1 4.35Å; Y619-K649 CarbonylContact C-O 3.58Å; Y619-K649 WeakPolarHBondContact CA-O 3.4Å; Y619-K649 WeakPolarHBondContact CB-O 3.33Å
620	V	96	Very high	90	Very high	13 Å²	13	48 Å²	48	8%	0.079	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	158.7	171.9	-68.2	0	0	0	0	110	W647 K649 A652	V620-W647 HydrophobicContact CG2-CZ3 4.35Å; V620-K649 HydrophobicContact CG2-CB 3.92Å; V620-K649 HydrophobicContact CG2-CG 4.17Å; V620-K649 PolarHBondContact N-O 2.95Å; V620-K649 PolarHBondContact O-N 3.45Å; V620-A652 HydrophobicContact CG1-CB 3.91Å; V620-A652 HydrophobicContact CG2-CB 4.49Å
621	T	95.5	Very high	91.3	Very high	9 Å²	9	42.7 Å²	42.7	6%	0.055	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	171.8	179.3	66.6	0	0	0	0	111.7	Y619 I623 N624 V645 W647 I648 R680	Y619-T621 HydrophobicContact CD2-CG2 4.35Å; T621-I623 PolarHBondContact O-N 3.14Å; T621-I623 PolarHBondContact OG1-N 3.21Å; T621-N624 PolarHBondContact N-O 3.14Å; T621-N624 CarbonylContact O-C 3.49Å; T621-N624 VanDerWaalsContact O-O 3.13Å; T621-N624 PolarHBondContact OG1-N 3.45Å; T621-V645 HydrophobicContact CG2-CG1 3.96Å; T621-V645 HydrophobicContact CG2-CG2 4.41Å; T621-W647 VanDerWaalsContact C-CH2 3.45Å; T621-W647 VanDerWaalsContact C-CZ3 3.42Å; T621-W647 WeakPolarHBondContact CA-O 3.46Å; T621-W647 WeakPolarHBondContact O-CH2 3.43Å; T621-I648 HydrophobicContact CG2-CB 4.45Å; T621-I648 HydrophobicContact CG2-CG1 4.3Å; T621-R680 PolarHBondContact O-NH2 2.99Å
622	D	92.6	Very high	91.7	Very high	31 Å²	31	38.9 Å²	38.9	17%	0.166	21%	0.205	C	C	.	.	S	Bend	trans	-63.3	-19.4	174.2	65.1	-52.6	0	0	0	113.6	V645 K646 W647 R680	D622-V645 VanDerWaalsContact OD1-CA 3.23Å; D622-V645 WeakPolarHBondContact OD1-CA 3.03Å; D622-V645 WeakPolarHBondContact OD1-CG1 3.4Å; D622-K646 HydrophobicContact CB-CB 4.45Å; D622-K646 PolarHBondContact OD1-N 3.44Å; D622-K646 WeakPolarHBondContact OD2-CB 3.26Å; D622-K646 WeakPolarHBondContact OD2-CG 3.41Å; D622-K646 PolarHBondContact OD2-N 3.15Å; D622-K646 VanDerWaalsContact OD2-N 3.13Å; D622-W647 VanDerWaalsContact CA-CZ2 3.49Å; D622-W647 HydrophobicContact CB-CD2 4.02Å; D622-W647 HydrophobicContact CB-CG 4.28Å; D622-W647 HydrophobicContact CB-CZ2 3.84Å; D622-R680 PolarHBondContact O-NH2 3.36Å
623	I	91.6	Very high	91.7	Very high	81 Å²	81	39.7 Å²	39.7	42%	0.415	21%	0.21	S	C	.	.	S	Bend	trans	-99.7	-40.6	178.5	-54.1	172.3	0	0	0	111.1	T621 P642 N644 V645	T621-I623 PolarHBondContact O-N 3.14Å; T621-I623 PolarHBondContact OG1-N 3.21Å; I623-P642 HydrophobicContact CD1-CB 4.4Å; I623-N644 HydrophobicContact CD1-CB 4.15Å; I623-N644 WeakPolarHBondContact CD1-ND2 3.43Å; I623-N644 WeakPolarHBondContact CD1-OD1 3.48Å; I623-V645 HydrophobicContact CD1-CB 4.41Å; I623-V645 HydrophobicContact CD1-CG2 3.61Å; I623-V645 HydrophobicContact CG1-CG2 4.25Å
624	N	87	Confident	91.5	Very high	52 Å²	52	44.2 Å²	44.2	28%	0.278	23%	0.234	S	C	.	.			trans	-112	110	-177.7	-167.2	5.8	0	0	0	111.3	T621 V626 E628	T621-N624 PolarHBondContact N-O 3.14Å; T621-N624 CarbonylContact O-C 3.49Å; T621-N624 VanDerWaalsContact O-O 3.13Å; T621-N624 PolarHBondContact OG1-N 3.45Å; N624-V626 VanDerWaalsContact C-N 3.32Å; N624-V626 WeakPolarHBondContact OD1-CB 3.45Å; N624-V626 PolarHBondContact OD1-N 3.28Å; N624-E628 PolarHBondContact ND2-OE1 3.18Å
625	N	81.3	Confident	91.5	Very high	95 Å²	95	46.4 Å²	46.4	51%	0.508	25%	0.248	S	C	.	.			trans	-81.8	-9.3	173.7	-88.6	-6.6	0	0	0	113.8	R680	N625-R680 VanDerWaalsContact CG-NH2 3.34Å; N625-R680 VanDerWaalsContact ND2-CZ 3.34Å; N625-R680 PolarHBondContact ND2-NH1 2.71Å; N625-R680 PolarHBondContact OD1-NE 3.41Å; N625-R680 PolarHBondContact OD1-NH2 2.85Å
626	V	86.3	Confident	91.5	Very high	103 Å²	103	50.9 Å²	50.9	62%	0.624	27%	0.272	S	S	*	.	S	Bend	trans	-81.7	123.7	174.7	-176.4	0	0	0	0	108.3	N624 E628	N624-V626 VanDerWaalsContact C-N 3.32Å; N624-V626 WeakPolarHBondContact OD1-CB 3.45Å; N624-V626 PolarHBondContact OD1-N 3.28Å; V626-E628 PolarHBondContact O-N 3.15Å
627	S	88.2	Confident	91.5	Very high	45 Å²	45	52.1 Å²	52.1	32%	0.315	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-58.8	119.2	176	177.1	0	0	0	0	110.9	Y619	Y619-S627 WeakPolarHBondContact O-CA 3.11Å
628	E	91.4	Very high	91.5	Very high	80 Å²	80	56.7 Å²	56.7	37%	0.374	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	150.6	171.5	-70.4	-177.6	-167.7	0	0	109.9	T618 Y619 N624 V626	T618-E628 CarbonylContact C-O 3.54Å; T618-E628 WeakPolarHBondContact CA-O 3.31Å; Y619-E628 HydrophobicContact CD1-CB 4.49Å; Y619-E628 HydrophobicContact CD2-CB 4.38Å; Y619-E628 HydrophobicContact CE1-CB 3.98Å; Y619-E628 HydrophobicContact CE2-CB 3.81Å; Y619-E628 HydrophobicContact CE2-CG 4.42Å; Y619-E628 WeakPolarHBondContact CE2-OE2 3.49Å; Y619-E628 VanDerWaalsContact CZ-OE2 3.24Å; Y619-E628 PolarHBondContact N-O 2.9Å; Y619-E628 PolarHBondContact O-N 2.96Å; Y619-E628 PolarHBondContact OH-OE2 2.86Å; N624-E628 PolarHBondContact ND2-OE1 3.18Å; V626-E628 PolarHBondContact O-N 3.15Å
629	T	91.2	Very high	91.5	Very high	78 Å²	78	58 Å²	58	48%	0.479	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.9	-177.3	-57.4	0	0	0	0	111.4	P616 V617	P616-T629 HydrophobicContact CB-CG2 3.67Å; V617-T629 WeakPolarHBondContact O-CA 3.38Å
630	L	91.7	Very high	91.4	Very high	36 Å²	36	62.8 Å²	62.8	19%	0.188	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.4	175.4	-179.9	70.7	0	0	0	109.6	I559 P616 V617 Y619 V637 F639	I559-L630 HydrophobicContact CD1-CD2 4.33Å; P616-L630 CarbonylContact C-O 3.53Å; V617-L630 PolarHBondContact N-O 3.33Å; V617-L630 PolarHBondContact O-N 2.97Å; Y619-L630 HydrophobicContact CE1-CB 4.38Å; L630-V637 HydrophobicContact CD1-CG1 3.89Å; L630-V637 HydrophobicContact CD2-CB 4.22Å; L630-V637 HydrophobicContact CD2-CG1 3.67Å; L630-V637 HydrophobicContact CG-CG1 4.08Å; L630-F639 HydrophobicContact CD2-CD1 3.8Å; L630-F639 HydrophobicContact CD2-CE1 3.75Å
631	W	91.5	Very high	91.3	Very high	66 Å²	66	62.6 Å²	62.6	25%	0.25	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	119.2	176.1	-83.6	83.6	0	0	0	111.9	A491 N531 I532 M535 I614 P616 Q633	A491-W631 HydrophobicContact CB-CH2 3.97Å; A491-W631 HydrophobicContact CB-CZ2 4.11Å; N531-W631 HydrophobicContact CB-CE3 4.38Å; N531-W631 HydrophobicContact CB-CZ3 3.97Å; I532-W631 HydrophobicContact CD1-CH2 3.91Å; M535-W631 HydrophobicContact SD-CH2 4.17Å; M535-W631 HydrophobicContact SD-CZ3 4.14Å; I614-W631 HydrophobicContact CG2-CE3 4.27Å; I614-W631 HydrophobicContact CG2-CZ3 4.35Å; P616-W631 HydrophobicContact CB-CZ2 4.46Å; W631-Q633 HydrophobicContact CB-CG 4.37Å; W631-Q633 PolarHBondContact O-N 3.07Å
632	M	91.9	Very high	91.2	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	99.5	172.4	-160.3	68.5	175.2	0	0	109.3	Q561 I614 F615 V617 N634 V635 V637	Q561-M632 HydrophobicContact CB-CE 3.84Å; Q561-M632 HydrophobicContact CG-CE 3.74Å; Q561-M632 HydrophobicContact CG-CG 4.46Å; Q561-M632 VanDerWaalsContact NE2-CG 3.27Å; I614-M632 VanDerWaalsContact CA-O 3.27Å; I614-M632 WeakPolarHBondContact CA-O 3.21Å; F615-M632 HydrophobicContact CD1-CB 4.32Å; F615-M632 HydrophobicContact CE1-CB 4.14Å; F615-M632 HydrophobicContact CE1-CG 4.25Å; F615-M632 HydrophobicContact CZ-CB 4.35Å; F615-M632 HydrophobicContact CZ-CG 4.45Å; F615-M632 PolarHBondContact N-O 3.26Å; F615-M632 PolarHBondContact O-N 2.99Å; V617-M632 HydrophobicContact CG2-CB 3.94Å; M632-N634 WeakPolarHBondContact CE-O 3.26Å; M632-V635 VanDerWaalsContact CE-C 3.47Å; M632-V635 WeakPolarHBondContact CE-O 3.39Å; M632-V637 HydrophobicContact CE-CG2 4.49Å; M632-V637 HydrophobicContact SD-CB 4.16Å; M632-V637 HydrophobicContact SD-CG2 3.6Å
633	Q	89.6	Confident	90.9	Very high	95 Å²	95	72.2 Å²	72.2	44%	0.444	39%	0.389	S	S	.	.			trans	-103	-28.7	178.8	-60.5	-174.7	7.2	0	0	113	N531 K612 W631	N531-Q633 PolarHBondContact ND2-NE2 3.34Å; K612-Q633 PolarHBondContact NZ-O 3.01Å; K612-Q633 VanDerWaalsContact NZ-O 3.08Å; W631-Q633 HydrophobicContact CB-CG 4.37Å; W631-Q633 PolarHBondContact O-N 3.07Å
634	N	89.6	Confident	90.9	Very high	97 Å²	97	73.6 Å²	73.6	52%	0.519	40%	0.397	S	S	.	.	S	Bend	trans	-115.9	-177.9	-178.5	-66.6	-35.6	0	0	0	110	Q561 M632 D636	Q561-N634 PolarHBondContact NE2-O 2.89Å; M632-N634 WeakPolarHBondContact CE-O 3.26Å; N634-D636 VanDerWaalsContact C-N 3.29Å
635	V	92.4	Very high	91.2	Very high	66 Å²	66	71.3 Å²	71.3	40%	0.4	39%	0.385	S	S	.	.	S	Bend	trans	-68.3	-33.1	177.7	179.3	0	0	0	0	111.2	S560 Q561 M632	S560-V635 CarbonylContact C-O 3.58Å; S560-V635 WeakPolarHBondContact CA-O 3.39Å; Q561-V635 WeakPolarHBondContact CG-O 3.47Å; Q561-V635 PolarHBondContact N-O 3.37Å; M632-V635 VanDerWaalsContact CE-C 3.47Å; M632-V635 WeakPolarHBondContact CE-O 3.39Å
636	D	93.7	Very high	91.8	Very high	94 Å²	94	73.5 Å²	73.5	50%	0.503	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.1	-178	-51.1	-56.3	0	0	0	110.7	I559 S560 N634	I559-D636 CarbonylContact O-C 3.57Å; I559-D636 WeakPolarHBondContact O-CA 3.13Å; S560-D636 WeakPolarHBondContact CA-OD1 3.39Å; S560-D636 WeakPolarHBondContact CB-OD1 3.4Å; N634-D636 VanDerWaalsContact C-N 3.29Å
637	V	94.4	Very high	92.2	Very high	29 Å²	29	68.7 Å²	68.7	18%	0.176	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	134.5	170	179.4	0	0	0	0	109.3	I559 L630 M632	I559-V637 PolarHBondContact N-O 3.09Å; I559-V637 PolarHBondContact O-N 2.75Å; L630-V637 HydrophobicContact CD1-CG1 3.89Å; L630-V637 HydrophobicContact CD2-CB 4.22Å; L630-V637 HydrophobicContact CD2-CG1 3.67Å; L630-V637 HydrophobicContact CG-CG1 4.08Å; M632-V637 HydrophobicContact CE-CG2 4.49Å; M632-V637 HydrophobicContact SD-CB 4.16Å; M632-V637 HydrophobicContact SD-CG2 3.6Å
638	T	94.9	Very high	92.6	Very high	97 Å²	97	66.6 Å²	66.6	60%	0.595	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	141.8	175.6	54.7	0	0	0	0	110.8	I557	I557-T638 VanDerWaalsContact O-CA 3.27Å; I557-T638 WeakPolarHBondContact O-CA 3.38Å
639	F	94.9	Very high	92.9	Very high	31 Å²	31	62.8 Å²	62.8	14%	0.136	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	164.5	174.9	67	-80.4	0	0	0	110.5	I557 I559 Y619 L630 V641 I648	I557-F639 HydrophobicContact CB-CD1 4.25Å; I557-F639 HydrophobicContact CB-CE1 3.86Å; I557-F639 HydrophobicContact CB-CE2 4.21Å; I557-F639 HydrophobicContact CB-CZ 3.85Å; I557-F639 HydrophobicContact CG1-CE2 4.25Å; I557-F639 HydrophobicContact CG1-CZ 4.2Å; I557-F639 HydrophobicContact CG2-CD1 4.41Å; I557-F639 HydrophobicContact CG2-CE1 3.64Å; I557-F639 HydrophobicContact CG2-CZ 3.74Å; I557-F639 PolarHBondContact N-O 3.4Å; I557-F639 PolarHBondContact O-N 2.97Å; I559-F639 HydrophobicContact CD1-CE1 3.88Å; I559-F639 HydrophobicContact CD1-CZ 4.49Å; I559-F639 HydrophobicContact CG1-CE1 4.25Å; Y619-F639 HydrophobicContact CD1-CZ 4.04Å; Y619-F639 HydrophobicContact CE1-CE1 4.44Å; Y619-F639 AromaticContact CE1-CE2 3.74Å; Y619-F639 HydrophobicContact CE1-CE2 3.74Å; Y619-F639 AromaticContact CE1-CZ 3.62Å; Y619-F639 HydrophobicContact CE1-CZ 3.62Å; Y619-F639 AromaticContact CE2-CE2 3.95Å; Y619-F639 HydrophobicContact CE2-CE2 3.95Å; Y619-F639 HydrophobicContact CE2-CZ 4.31Å; Y619-F639 AromaticContact CZ-CE2 3.42Å; Y619-F639 VanDerWaalsContact CZ-CE2 3.42Å; Y619-F639 AromaticContact CZ-CZ 3.79Å; Y619-F639 WeakPolarHBondContact OH-CE2 3.13Å; L630-F639 HydrophobicContact CD2-CD1 3.8Å; L630-F639 HydrophobicContact CD2-CE1 3.75Å; F639-V641 HydrophobicContact CD2-CG1 4Å; F639-V641 HydrophobicContact CE2-CG1 3.55Å; F639-I648 HydrophobicContact CE2-CD1 4.47Å; F639-I648 HydrophobicContact CZ-CD1 3.9Å
640	N	94.4	Very high	93.2	Very high	121 Å²	121	59.1 Å²	59.1	65%	0.647	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.4	-175.6	-73.3	-13.1	0	0	0	110.6	N555	N555-N640 WeakPolarHBondContact OD1-CA 3.45Å; N555-N640 WeakPolarHBondContact OD1-CB 3.45Å
641	V	92.9	Very high	93.4	Very high	8 Å²	8	57.4 Å²	57.4	5%	0.048	30%	0.297	C	S	.	.			trans	-124	149.5	175.7	-62	0	0	0	0	110.3	N555 I557 F639 E643 V645	N555-V641 PolarHBondContact ND2-O 3.36Å; N555-V641 VanDerWaalsContact ND2-O 3.12Å; N555-V641 WeakPolarHBondContact O-CG2 3.12Å; N555-V641 PolarHBondContact O-N 2.97Å; N555-V641 PolarHBondContact OD1-N 2.98Å; N555-V641 PolarHBondContact OD1-O 3.5Å; I557-V641 HydrophobicContact CD1-CG2 4.11Å; I557-V641 HydrophobicContact CG1-CG1 3.83Å; I557-V641 HydrophobicContact CG1-CG2 3.88Å; F639-V641 HydrophobicContact CD2-CG1 4Å; F639-V641 HydrophobicContact CE2-CG1 3.55Å; V641-E643 PolarHBondContact O-N 3.14Å; V641-V645 HydrophobicContact CB-CB 4.48Å; V641-V645 HydrophobicContact CB-CG2 4.1Å; V641-V645 HydrophobicContact CG2-CB 3.94Å; V641-V645 HydrophobicContact CG2-CG1 4.04Å; V641-V645 HydrophobicContact CG2-CG2 4.12Å
642	P	92.9	Very high	93.6	Very high	77 Å²	77	54.3 Å²	54.3	50%	0.5	29%	0.286	S	S	.	.			trans	-46.7	140.9	-178.2	-28.4	35.2	0	0	0	114	I623 N644 V645	I623-P642 HydrophobicContact CD1-CB 4.4Å; P642-N644 VanDerWaalsContact CB-OD1 3.31Å; P642-N644 WeakPolarHBondContact CB-OD1 3.31Å; P642-N644 PolarHBondContact O-N 2.92Å; P642-V645 HydrophobicContact CB-CG2 4.26Å; P642-V645 WeakPolarHBondContact O-CB 3.29Å; P642-V645 VanDerWaalsContact O-CG2 3.3Å; P642-V645 WeakPolarHBondContact O-CG2 2.97Å; P642-V645 PolarHBondContact O-N 3.06Å
643	E	86.9	Confident	93.7	Very high	166 Å²	166	57.4 Å²	57.4	78%	0.776	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.2	-170.9	-69.1	-174.7	170.5	0	0	114.1	N555 V641 V645	N555-E643 HydrophobicContact CB-CG 4.19Å; V641-E643 PolarHBondContact O-N 3.14Å; E643-V645 VanDerWaalsContact C-N 3.29Å; E643-V645 PolarHBondContact O-N 3.18Å
644	N	91.3	Very high	93.9	Very high	110 Å²	110	53.6 Å²	53.6	59%	0.588	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	0.6	178.7	60.2	-32.5	0	0	0	114.2	I623 P642 K646	I623-N644 HydrophobicContact CD1-CB 4.15Å; I623-N644 WeakPolarHBondContact CD1-ND2 3.43Å; I623-N644 WeakPolarHBondContact CD1-OD1 3.48Å; P642-N644 VanDerWaalsContact CB-OD1 3.31Å; P642-N644 WeakPolarHBondContact CB-OD1 3.31Å; P642-N644 PolarHBondContact O-N 2.92Å; N644-K646 PolarHBondContact O-N 3.28Å
645	V	94.3	Very high	94.1	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.018	27%	0.268	C	S	.	.			trans	-66.4	117.9	175.2	169.4	0	0	0	0	109.7	K552 T621 D622 I623 V641 P642 E643 W647	K552-V645 WeakPolarHBondContact CE-O 3.29Å; K552-V645 PolarHBondContact NZ-O 2.91Å; T621-V645 HydrophobicContact CG2-CG1 3.96Å; T621-V645 HydrophobicContact CG2-CG2 4.41Å; D622-V645 VanDerWaalsContact OD1-CA 3.23Å; D622-V645 WeakPolarHBondContact OD1-CA 3.03Å; D622-V645 WeakPolarHBondContact OD1-CG1 3.4Å; I623-V645 HydrophobicContact CD1-CB 4.41Å; I623-V645 HydrophobicContact CD1-CG2 3.61Å; I623-V645 HydrophobicContact CG1-CG2 4.25Å; V641-V645 HydrophobicContact CB-CB 4.48Å; V641-V645 HydrophobicContact CB-CG2 4.1Å; V641-V645 HydrophobicContact CG2-CB 3.94Å; V641-V645 HydrophobicContact CG2-CG1 4.04Å; V641-V645 HydrophobicContact CG2-CG2 4.12Å; P642-V645 HydrophobicContact CB-CG2 4.26Å; P642-V645 WeakPolarHBondContact O-CB 3.29Å; P642-V645 VanDerWaalsContact O-CG2 3.3Å; P642-V645 WeakPolarHBondContact O-CG2 2.97Å; P642-V645 PolarHBondContact O-N 3.06Å; E643-V645 VanDerWaalsContact C-N 3.29Å; E643-V645 PolarHBondContact O-N 3.18Å; V645-W647 WeakPolarHBondContact CG1-O 3.15Å
646	K	92.9	Very high	94.2	Very high	142 Å²	142	48 Å²	48	62%	0.617	25%	0.253	S	S	*	.			trans	-79	-50.9	177	-65.9	-179.5	179.9	-175.9	0	111.7	D622 N644	D622-K646 HydrophobicContact CB-CB 4.45Å; D622-K646 PolarHBondContact OD1-N 3.44Å; D622-K646 WeakPolarHBondContact OD2-CB 3.26Å; D622-K646 WeakPolarHBondContact OD2-CG 3.41Å; D622-K646 PolarHBondContact OD2-N 3.15Å; D622-K646 VanDerWaalsContact OD2-N 3.13Å; N644-K646 PolarHBondContact O-N 3.28Å
647	W	95.2	Very high	94.3	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.008	23%	0.23	C	C	.	.			trans	-134.9	154.7	-176.5	55.5	-106.2	0	0	0	112.1	V620 T621 D622 V645 K649 N666 L670 E673 R680 F681	V620-W647 HydrophobicContact CG2-CZ3 4.35Å; T621-W647 VanDerWaalsContact C-CH2 3.45Å; T621-W647 VanDerWaalsContact C-CZ3 3.42Å; T621-W647 WeakPolarHBondContact CA-O 3.46Å; T621-W647 WeakPolarHBondContact O-CH2 3.43Å; D622-W647 VanDerWaalsContact CA-CZ2 3.49Å; D622-W647 HydrophobicContact CB-CD2 4.02Å; D622-W647 HydrophobicContact CB-CG 4.28Å; D622-W647 HydrophobicContact CB-CZ2 3.84Å; V645-W647 WeakPolarHBondContact CG1-O 3.15Å; W647-K649 HydrophobicContact CE3-CB 4.3Å; W647-K649 HydrophobicContact CZ3-CB 4.06Å; W647-N666 WeakPolarHBondContact CA-OD1 2.92Å; W647-L670 HydrophobicContact CB-CD2 3.94Å; W647-L670 HydrophobicContact CB-CG 4.23Å; W647-L670 HydrophobicContact CD2-CD2 3.85Å; W647-L670 HydrophobicContact CE3-CD2 3.7Å; W647-L670 HydrophobicContact CG-CD2 3.98Å; W647-L670 HydrophobicContact CZ3-CD2 4.5Å; W647-E673 HydrophobicContact CZ2-CG 4.11Å; W647-E673 PolarHBondContact NE1-OE2 3.48Å; W647-R680 HydrophobicContact CH2-CG 4.19Å; W647-R680 HydrophobicContact CZ2-CG 3.72Å; W647-F681 HydrophobicContact CD2-CZ 4.4Å; W647-F681 HydrophobicContact CE3-CE1 4.17Å; W647-F681 HydrophobicContact CE3-CZ 4.41Å; W647-F681 HydrophobicContact CH2-CD1 4.43Å; W647-F681 AromaticContact CH2-CE1 3.62Å; W647-F681 HydrophobicContact CH2-CE1 3.62Å; W647-F681 HydrophobicContact CH2-CZ 4.04Å; W647-F681 HydrophobicContact CZ2-CE1 4.04Å; W647-F681 AromaticContact CZ2-CZ 3.97Å; W647-F681 HydrophobicContact CZ2-CZ 3.97Å; W647-F681 AromaticContact CZ3-CE1 3.68Å; W647-F681 HydrophobicContact CZ3-CE1 3.68Å; W647-F681 HydrophobicContact CZ3-CZ 4.26Å
648	I	96.3	Very high	94.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135	169	-174.4	171.8	0	0	0	109.8	V550 I557 Y619 T621 F639 V650 Y662 N666	V550-I648 HydrophobicContact CG1-CG2 4.05Å; I557-I648 HydrophobicContact CD1-CG2 4.1Å; I557-I648 HydrophobicContact CG1-CD1 4.23Å; I557-I648 HydrophobicContact CG2-CD1 4.15Å; Y619-I648 HydrophobicContact CD2-CD1 3.78Å; Y619-I648 HydrophobicContact CD2-CG1 4.14Å; Y619-I648 HydrophobicContact CE2-CD1 4.44Å; Y619-I648 HydrophobicContact CG-CD1 3.91Å; Y619-I648 HydrophobicContact CG-CG1 4.35Å; T621-I648 HydrophobicContact CG2-CB 4.45Å; T621-I648 HydrophobicContact CG2-CG1 4.3Å; F639-I648 HydrophobicContact CE2-CD1 4.47Å; F639-I648 HydrophobicContact CZ-CD1 3.9Å; I648-V650 HydrophobicContact CD1-CG2 4.36Å; I648-V650 HydrophobicContact CG1-CG2 4.32Å; I648-Y662 WeakPolarHBondContact O-CE1 3.48Å; I648-N666 PolarHBondContact N-OD1 3.02Å; I648-N666 PolarHBondContact O-ND2 3.3Å
649	K	97	Very high	94.6	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	114.3	172.5	168.9	55.7	177.8	59.2	0	109	Y619 V620 W647 N651 Y662 L670 F681 D685 M689	Y619-K649 CarbonylContact C-O 3.58Å; Y619-K649 WeakPolarHBondContact CA-O 3.4Å; Y619-K649 WeakPolarHBondContact CB-O 3.33Å; V620-K649 HydrophobicContact CG2-CB 3.92Å; V620-K649 HydrophobicContact CG2-CG 4.17Å; V620-K649 PolarHBondContact N-O 2.95Å; V620-K649 PolarHBondContact O-N 3.45Å; W647-K649 HydrophobicContact CE3-CB 4.3Å; W647-K649 HydrophobicContact CZ3-CB 4.06Å; K649-N651 PolarHBondContact NZ-O 3.41Å; K649-Y662 WeakPolarHBondContact CD-OH 3.5Å; K649-L670 HydrophobicContact CB-CD2 4.16Å; K649-F681 HydrophobicContact CB-CE1 4.18Å; K649-F681 HydrophobicContact CG-CD1 4.46Å; K649-F681 HydrophobicContact CG-CE1 4.41Å; K649-D685 IonicContact NZ-OD1 3.64Å; K649-D685 PolarHBondContact NZ-OD1 3.46Å; K649-M689 HydrophobicContact CD-CG 3.87Å; K649-M689 HydrophobicContact CD-SD 3.88Å
650	V	97.8	Very high	94.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	155	177.3	178	0	0	0	0	110.4	L548 V550 I559 V617 T618 I648 Y658 V660 Y662	L548-V650 HydrophobicContact CD1-CG1 4.24Å; V550-V650 HydrophobicContact CG1-CG2 4.36Å; V550-V650 HydrophobicContact CG2-CB 4.39Å; V550-V650 HydrophobicContact CG2-CG2 3.81Å; I559-V650 HydrophobicContact CD1-CG2 4.11Å; V617-V650 HydrophobicContact CG1-CG1 3.39Å; T618-V650 CarbonylContact O-C 3.52Å; T618-V650 WeakPolarHBondContact O-CA 3.16Å; I648-V650 HydrophobicContact CD1-CG2 4.36Å; I648-V650 HydrophobicContact CG1-CG2 4.32Å; V650-Y658 HydrophobicContact CG1-CE2 4.24Å; V650-V660 HydrophobicContact CB-CG1 4.1Å; V650-V660 HydrophobicContact CB-CG2 4.1Å; V650-V660 HydrophobicContact CG1-CG2 3.97Å; V650-Y662 HydrophobicContact CB-CE1 4.4Å; V650-Y662 HydrophobicContact CG2-CE1 4.24Å; V650-Y662 PolarHBondContact N-OH 3.41Å; V650-Y662 PolarHBondContact O-OH 2.86Å
651	N	96.9	Very high	94.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	62.8	54.6	-169.1	-154.6	1.6	0	0	0	112.8	T618 K649 I653 Q654 N655 G656 Y658 V660	T618-N651 PolarHBondContact O-N 2.99Å; K649-N651 PolarHBondContact NZ-O 3.41Å; N651-I653 PolarHBondContact O-N 2.96Å; N651-Q654 PolarHBondContact ND2-OE1 3.33Å; N651-Q654 PolarHBondContact O-N 3.43Å; N651-Q654 PolarHBondContact O-NE2 3.38Å; N651-N655 PolarHBondContact OD1-N 2.92Å; N651-G656 PolarHBondContact ND2-O 3.1Å; N651-G656 VanDerWaalsContact ND2-O 3.09Å; N651-G656 WeakPolarHBondContact OD1-CA 3.36Å; N651-G656 PolarHBondContact OD1-N 2.95Å; N651-Y658 HydrophobicContact CB-CD2 4.43Å; N651-Y658 HydrophobicContact CB-CE2 3.56Å; N651-Y658 PolarHBondContact ND2-O 3.42Å; N651-V660 HydrophobicContact CB-CG2 4.36Å
652	A	95.3	Very high	95.1	Very high	2 Å²	2	31.4 Å²	31.4	2%	0.017	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-55	130.3	177.6	0	0	0	0	0	111	T618 V620 Q654 D685	T618-A652 PolarHBondContact OG1-N 3.38Å; T618-A652 VanDerWaalsContact OG1-N 3.08Å; V620-A652 HydrophobicContact CG1-CB 3.91Å; V620-A652 HydrophobicContact CG2-CB 4.49Å; A652-Q654 PolarHBondContact O-N 2.98Å; A652-D685 WeakPolarHBondContact CA-OD1 3.39Å
653	I	93.6	Very high	95.2	Very high	65 Å²	65	29.5 Å²	29.5	33%	0.333	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	62.3	8.6	-178.3	-43.7	169.8	0	0	0	113.2	N651 N655 T682 E684 D685	N651-I653 PolarHBondContact O-N 2.96Å; I653-N655 PolarHBondContact O-N 2.96Å; I653-N655 PolarHBondContact O-OD1 2.98Å; I653-T682 HydrophobicContact CG1-CG2 4.49Å; I653-E684 HydrophobicContact CG2-CB 3.93Å; I653-E684 HydrophobicContact CG2-CG 3.92Å; I653-D685 PolarHBondContact N-OD1 2.8Å
654	Q	94.9	Very high	95.6	Very high	15 Å²	15	27.1 Å²	27.1	7%	0.07	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	57.8	40.6	175	-57.5	-64	-25.2	0	0	114.8	L444 N651 A652 E684 G688	L444-Q654 HydrophobicContact CD1-CB 4Å; L444-Q654 HydrophobicContact CD2-CB 3.88Å; L444-Q654 WeakPolarHBondContact CD2-O 3.35Å; N651-Q654 PolarHBondContact ND2-OE1 3.33Å; N651-Q654 PolarHBondContact O-N 3.43Å; N651-Q654 PolarHBondContact O-NE2 3.38Å; A652-Q654 PolarHBondContact O-N 2.98Å; Q654-E684 WeakPolarHBondContact CG-O 3.41Å; Q654-G688 VanDerWaalsContact CD-CA 3.46Å
655	N	92.5	Very high	95.7	Very high	34 Å²	34	27.6 Å²	27.6	18%	0.182	14%	0.142	C	C	.	.			trans	-80.1	-20.4	177.8	-68.4	-10.9	0	0	0	113.7	R440 M487 T490 N651 I653	R440-N655 PolarHBondContact NH2-OD1 3.3Å; M487-N655 WeakPolarHBondContact CA-O 3.43Å; M487-N655 PolarHBondContact N-O 3.33Å; T490-N655 HydrophobicContact CG2-CB 4.42Å; T490-N655 WeakPolarHBondContact OG1-CB 3.28Å; T490-N655 PolarHBondContact OG1-ND2 3.33Å; N651-N655 PolarHBondContact OD1-N 2.92Å; I653-N655 PolarHBondContact O-N 2.96Å; I653-N655 PolarHBondContact O-OD1 2.98Å
656	G	94.9	Very high	95.8	Very high	10 Å²	10	27.6 Å²	27.6	10%	0.103	14%	0.142	C	C	.	.	S	Bend	trans	-88.3	144.8	-177.9	0	0	0	0	0	113.5	N651 Y658	N651-G656 PolarHBondContact ND2-O 3.1Å; N651-G656 VanDerWaalsContact ND2-O 3.09Å; N651-G656 WeakPolarHBondContact OD1-CA 3.36Å; N651-G656 PolarHBondContact OD1-N 2.95Å; G656-Y658 VanDerWaalsContact C-N 3.34Å; G656-Y658 VanDerWaalsContact CA-CE1 3.43Å; G656-Y658 PolarHBondContact O-N 3.04Å
657	Y	96.8	Very high	95.9	Very high	2 Å²	2	21 Å²	21	1%	0.008	11%	0.113	C	C	.	.	S	Bend	trans	-92.3	65.5	176.3	-165.8	-103.4	0	0	0	111.2	A451 L452 K480 A483 W539 F545	A451-Y657 VanDerWaalsContact C-OH 3.3Å; A451-Y657 HydrophobicContact CB-CE2 3.91Å; A451-Y657 WeakPolarHBondContact CB-OH 3.19Å; A451-Y657 PolarHBondContact O-OH 3.08Å; L452-Y657 HydrophobicContact CD1-CD2 4.48Å; L452-Y657 HydrophobicContact CD2-CD1 4.09Å; L452-Y657 HydrophobicContact CD2-CD2 3.84Å; L452-Y657 HydrophobicContact CD2-CE1 3.91Å; L452-Y657 HydrophobicContact CD2-CE2 3.7Å; L452-Y657 HydrophobicContact CD2-CG 4.07Å; L452-Y657 HydrophobicContact CG-CD2 3.88Å; L452-Y657 HydrophobicContact CG-CE2 3.59Å; K480-Y657 HydrophobicContact CD-CE1 3.88Å; K480-Y657 HydrophobicContact CG-CD1 4.47Å; K480-Y657 HydrophobicContact CG-CE1 3.78Å; K480-Y657 HydrophobicContact CG-CE2 4.35Å; A483-Y657 HydrophobicContact CB-CD2 3.37Å; A483-Y657 HydrophobicContact CB-CE2 3.91Å; A483-Y657 HydrophobicContact CB-CG 4.18Å; W539-Y657 HydrophobicContact CE3-CD1 4.47Å; W539-Y657 WeakPolarHBondContact CH2-O 3.34Å; W539-Y657 AromaticContact CZ3-CD1 3.89Å; W539-Y657 HydrophobicContact CZ3-CD1 3.89Å; W539-Y657 WeakPolarHBondContact CZ3-O 3.46Å; F545-Y657 HydrophobicContact CB-CD1 3.87Å; F545-Y657 HydrophobicContact CB-CE1 3.84Å; F545-Y657 HydrophobicContact CD1-CE1 4.35Å; F545-Y657 HydrophobicContact CG-CE1 4.31Å
658	Y	96.6	Very high	96	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	14%	0.135	C	C	.	.			trans	-155.7	160.9	179.8	54.1	-95.1	0	0	0	109.9	P546 L548 F615 T618 V650 N651 G656 V660	P546-Y658 VanDerWaalsContact O-CB 3.29Å; P546-Y658 WeakPolarHBondContact O-CB 3.34Å; L548-Y658 HydrophobicContact CD1-CD2 3.5Å; L548-Y658 HydrophobicContact CD1-CE2 3.52Å; L548-Y658 HydrophobicContact CD1-CG 4.27Å; L548-Y658 HydrophobicContact CG-CD2 3.95Å; L548-Y658 HydrophobicContact CG-CE2 4.45Å; F615-Y658 AromaticContact CD2-CD1 3.72Å; F615-Y658 HydrophobicContact CD2-CD1 3.72Å; F615-Y658 AromaticContact CD2-CE1 3.64Å; F615-Y658 HydrophobicContact CD2-CE1 3.64Å; F615-Y658 AromaticContact CE2-CD1 3.29Å; F615-Y658 HydrophobicContact CE2-CD1 3.29Å; F615-Y658 HydrophobicContact CE2-CD2 4.47Å; F615-Y658 AromaticContact CE2-CE1 3.44Å; F615-Y658 HydrophobicContact CE2-CE1 3.44Å; F615-Y658 VanDerWaalsContact CE2-CE1 3.44Å; F615-Y658 AromaticContact CE2-CG 3.87Å; F615-Y658 HydrophobicContact CE2-CG 3.87Å; F615-Y658 HydrophobicContact CZ-CD1 4.21Å; F615-Y658 HydrophobicContact CZ-CG 4.46Å; T618-Y658 PolarHBondContact N-OH 3.39Å; V650-Y658 HydrophobicContact CG1-CE2 4.24Å; N651-Y658 HydrophobicContact CB-CD2 4.43Å; N651-Y658 HydrophobicContact CB-CE2 3.56Å; N651-Y658 PolarHBondContact ND2-O 3.42Å; G656-Y658 VanDerWaalsContact C-N 3.34Å; G656-Y658 VanDerWaalsContact CA-CE1 3.43Å; G656-Y658 PolarHBondContact O-N 3.04Å; Y658-V660 HydrophobicContact CD2-CG2 4.09Å; Y658-V660 HydrophobicContact CE2-CG2 4.08Å
659	R	97.4	Very high	96	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	153.9	176.2	-64.2	-166.9	172.7	-78.7	5.5	110.7	L452 D453 F545 P546 L547 L548 S691 D692	L452-R659 HydrophobicContact CD1-CG 4.49Å; D453-R659 IonicContact OD1-CZ 2.85Å; D453-R659 IonicContact OD1-NH2 2.72Å; D453-R659 PolarHBondContact OD1-NH2 3.38Å; F545-R659 HydrophobicContact CE2-CB 4.26Å; F545-R659 HydrophobicContact CE2-CG 3.75Å; F545-R659 HydrophobicContact CZ-CG 4.36Å; P546-R659 PolarHBondContact O-N 2.86Å; L547-R659 HydrophobicContact CD1-CB 4.15Å; L548-R659 PolarHBondContact N-O 3.29Å; R659-S691 VanDerWaalsContact NH1-C 3.27Å; R659-S691 PolarHBondContact NH1-O 3.14Å; R659-S691 PolarHBondContact NH1-OG 3.31Å; R659-S691 PolarHBondContact NH2-OG 2.78Å; R659-S691 VanDerWaalsContact NH2-OG 3.12Å; R659-D692 WeakPolarHBondContact CB-OD1 3.15Å; R659-D692 WeakPolarHBondContact CG-OD1 3.43Å; R659-D692 IonicContact CZ-OD1 3.17Å; R659-D692 IonicContact NH1-OD1 3.95Å; R659-D692 PolarHBondContact NH1-OD1 3.1Å
660	V	98.1	Very high	96	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	134.3	-177.1	-168.4	0	0	0	0	111.4	L548 V550 V650 N651 Y658 Y662 D692 L696	L548-V660 HydrophobicContact CB-CG1 4.46Å; L548-V660 HydrophobicContact CB-CG2 4.45Å; L548-V660 WeakPolarHBondContact O-CA 3.47Å; V550-V660 HydrophobicContact CB-CG1 4.45Å; V550-V660 HydrophobicContact CG2-CG1 3.49Å; V550-V660 VanDerWaalsContact CG2-CG1 3.49Å; V650-V660 HydrophobicContact CB-CG1 4.1Å; V650-V660 HydrophobicContact CB-CG2 4.1Å; V650-V660 HydrophobicContact CG1-CG2 3.97Å; N651-V660 HydrophobicContact CB-CG2 4.36Å; Y658-V660 HydrophobicContact CD2-CG2 4.09Å; Y658-V660 HydrophobicContact CE2-CG2 4.08Å; V660-Y662 HydrophobicContact CB-CE2 4.15Å; V660-Y662 HydrophobicContact CG1-CD1 4.32Å; V660-Y662 HydrophobicContact CG1-CD2 4.34Å; V660-Y662 HydrophobicContact CG1-CE1 3.74Å; V660-Y662 HydrophobicContact CG1-CE2 3.75Å; V660-Y662 VanDerWaalsContact CG1-CZ 3.4Å; V660-Y662 WeakPolarHBondContact CG1-OH 3.32Å; V660-D692 PolarHBondContact N-OD2 2.97Å; V660-L696 WeakPolarHBondContact O-CD1 3.17Å
661	V	97.6	Very high	96	Very high	18 Å²	18	26.5 Å²	26.5	11%	0.109	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.2	167.1	66.2	0	0	0	0	109.6	L547 L548 T549 V550 L696 L702	L547-V661 HydrophobicContact CD1-CB 4.37Å; L547-V661 HydrophobicContact CD1-CG1 4.16Å; L547-V661 HydrophobicContact CD2-CG1 4.45Å; L547-V661 HydrophobicContact CG-CG1 4.32Å; L548-V661 PolarHBondContact O-N 3.32Å; T549-V661 WeakPolarHBondContact CA-O 3.43Å; T549-V661 HydrophobicContact CG2-CG1 4.2Å; T549-V661 VanDerWaalsContact OG1-CG1 3.29Å; T549-V661 WeakPolarHBondContact OG1-CG1 3.29Å; V550-V661 PolarHBondContact N-O 2.96Å; V661-L696 HydrophobicContact CB-CD1 4.05Å; V661-L696 HydrophobicContact CG2-CD1 4.44Å; V661-L702 HydrophobicContact CG2-CD1 4.32Å
662	Y	97.7	Very high	96	Very high	12 Å²	12	33.3 Å²	33.3	5%	0.047	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	162.4	179.1	-54.3	-88	0	0	0	111.2	V550 I648 K649 V650 V660 N666 W667 L670	V550-Y662 HydrophobicContact CB-CD1 3.66Å; V550-Y662 HydrophobicContact CB-CE1 4.05Å; V550-Y662 HydrophobicContact CG1-CD1 3.86Å; V550-Y662 HydrophobicContact CG1-CE1 4.14Å; V550-Y662 HydrophobicContact CG2-CD1 4.18Å; V550-Y662 HydrophobicContact CG2-CE1 4.09Å; V550-Y662 CarbonylContact O-C 3.16Å; V550-Y662 WeakPolarHBondContact O-CA 3.46Å; I648-Y662 WeakPolarHBondContact O-CE1 3.48Å; K649-Y662 WeakPolarHBondContact CD-OH 3.5Å; V650-Y662 HydrophobicContact CB-CE1 4.4Å; V650-Y662 HydrophobicContact CG2-CE1 4.24Å; V650-Y662 PolarHBondContact N-OH 3.41Å; V650-Y662 PolarHBondContact O-OH 2.86Å; V660-Y662 HydrophobicContact CB-CE2 4.15Å; V660-Y662 HydrophobicContact CG1-CD1 4.32Å; V660-Y662 HydrophobicContact CG1-CD2 4.34Å; V660-Y662 HydrophobicContact CG1-CE1 3.74Å; V660-Y662 HydrophobicContact CG1-CE2 3.75Å; V660-Y662 VanDerWaalsContact CG1-CZ 3.4Å; V660-Y662 WeakPolarHBondContact CG1-OH 3.32Å; Y662-N666 WeakPolarHBondContact CD1-ND2 3.4Å; Y662-W667 HydrophobicContact CD2-CD2 4.03Å; Y662-W667 AromaticContact CD2-CE2 3.7Å; Y662-W667 HydrophobicContact CD2-CE3 4.27Å; Y662-W667 AromaticContact CD2-CH2 3.91Å; Y662-W667 HydrophobicContact CD2-CH2 3.91Å; Y662-W667 AromaticContact CD2-CZ2 3.65Å; Y662-W667 HydrophobicContact CD2-CZ2 3.65Å; Y662-W667 HydrophobicContact CD2-CZ3 4.2Å; Y662-W667 HydrophobicContact CE2-CH2 4.19Å; Y662-W667 HydrophobicContact CE2-CZ2 4.29Å; Y662-W667 PolarHBondContact O-NE1 3.18Å; Y662-W667 VanDerWaalsContact O-NE1 3.15Å; Y662-L670 HydrophobicContact CD2-CD1 4Å; Y662-L670 HydrophobicContact CE1-CD1 4.5Å; Y662-L670 HydrophobicContact CE2-CD1 3.97Å; Y662-L670 HydrophobicContact CG-CD1 4.33Å
663	N	95.3	Very high	96	Very high	36 Å²	36	35.1 Å²	35.1	19%	0.193	19%	0.193	C	C	.	.			trans	-69	158.2	164.1	64.3	-45.1	0	0	0	111.6	V550 T551 K552 D665 N666 W667	V550-N663 PolarHBondContact O-N 3.28Å; V550-N663 VanDerWaalsContact O-N 3.07Å; T551-N663 HydrophobicContact CG2-CB 4.46Å; K552-N663 PolarHBondContact N-OD1 3.45Å; K552-N663 PolarHBondContact O-ND2 3.05Å; N663-D665 VanDerWaalsContact C-N 3.33Å; N663-D665 PolarHBondContact O-N 2.94Å; N663-N666 PolarHBondContact O-N 3.29Å; N663-N666 WeakPolarHBondContact OD1-CB 3.28Å; N663-W667 PolarHBondContact O-N 3.28Å
664	D	94.3	Very high	96.1	Very high	116 Å²	116	32.1 Å²	32.1	62%	0.62	18%	0.177	S	C	*	.	H	α-helix	trans	-55.4	-42.3	-170.3	-62.5	-19.8	0	0	0	113.4	N666 W667 A668	D664-N666 VanDerWaalsContact C-N 3.32Å; D664-N666 PolarHBondContact O-N 2.96Å; D664-W667 PolarHBondContact O-N 3.09Å; D664-A668 WeakPolarHBondContact O-CB 3.39Å; D664-A668 PolarHBondContact O-N 3.16Å
665	D	93.9	Very high	96.1	Very high	120 Å²	120	34.2 Å²	34.2	64%	0.642	20%	0.197	S	C	*	.	H	α-helix	trans	-61	-39.7	179.1	-60.7	-36.2	0	0	0	112.7	N663 S669	N663-D665 VanDerWaalsContact C-N 3.33Å; N663-D665 PolarHBondContact O-N 2.94Å; D665-S669 WeakPolarHBondContact O-CB 3.32Å; D665-S669 PolarHBondContact O-N 3.27Å; D665-S669 PolarHBondContact O-OG 3.48Å
666	N	96.2	Very high	96.2	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-76.1	-36.6	179.5	-169.2	88	0	0	0	110.9	W647 I648 Y662 N663 D664 S669 L670	W647-N666 WeakPolarHBondContact CA-OD1 2.92Å; I648-N666 PolarHBondContact N-OD1 3.02Å; I648-N666 PolarHBondContact O-ND2 3.3Å; Y662-N666 WeakPolarHBondContact CD1-ND2 3.4Å; N663-N666 PolarHBondContact O-N 3.29Å; N663-N666 WeakPolarHBondContact OD1-CB 3.28Å; D664-N666 VanDerWaalsContact C-N 3.32Å; D664-N666 PolarHBondContact O-N 2.96Å; N666-S669 PolarHBondContact O-N 3.24Å; N666-L670 WeakPolarHBondContact ND2-CD1 3.38Å; N666-L670 WeakPolarHBondContact O-CB 3.36Å; N666-L670 VanDerWaalsContact O-CG 3.28Å; N666-L670 WeakPolarHBondContact O-CG 3.32Å; N666-L670 PolarHBondContact O-N 3.07Å
667	W	96.6	Very high	96.2	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.011	23%	0.234	C	C	.	.	H	α-helix	trans	-59.1	-47.1	170.2	-86.9	125.1	0	0	0	111.8	Y662 N663 D664 S669 L670 I671 L702 I706 M710	Y662-W667 HydrophobicContact CD2-CD2 4.03Å; Y662-W667 AromaticContact CD2-CE2 3.7Å; Y662-W667 HydrophobicContact CD2-CE3 4.27Å; Y662-W667 AromaticContact CD2-CH2 3.91Å; Y662-W667 HydrophobicContact CD2-CH2 3.91Å; Y662-W667 AromaticContact CD2-CZ2 3.65Å; Y662-W667 HydrophobicContact CD2-CZ2 3.65Å; Y662-W667 HydrophobicContact CD2-CZ3 4.2Å; Y662-W667 HydrophobicContact CE2-CH2 4.19Å; Y662-W667 HydrophobicContact CE2-CZ2 4.29Å; Y662-W667 PolarHBondContact O-NE1 3.18Å; Y662-W667 VanDerWaalsContact O-NE1 3.15Å; N663-W667 PolarHBondContact O-N 3.28Å; D664-W667 PolarHBondContact O-N 3.09Å; W667-S669 VanDerWaalsContact C-N 3.33Å; W667-S669 PolarHBondContact O-N 2.92Å; W667-L670 PolarHBondContact O-N 3.43Å; W667-I671 WeakPolarHBondContact O-CB 3.5Å; W667-I671 WeakPolarHBondContact O-CD1 3.37Å; W667-I671 VanDerWaalsContact O-CG1 3.24Å; W667-I671 WeakPolarHBondContact O-CG1 3.11Å; W667-I671 PolarHBondContact O-N 2.75Å; W667-L702 HydrophobicContact CZ2-CD1 4.17Å; W667-L702 HydrophobicContact CZ2-CD2 4.2Å; W667-I706 HydrophobicContact CB-CG2 4.34Å; W667-I706 HydrophobicContact CD2-CG2 3.94Å; W667-I706 HydrophobicContact CE3-CG2 4.11Å; W667-I706 HydrophobicContact CG-CD1 4.36Å; W667-I706 HydrophobicContact CG-CG2 4.07Å; W667-M710 HydrophobicContact CE3-SD 4.22Å; W667-M710 HydrophobicContact CH2-SD 4.29Å; W667-M710 HydrophobicContact CZ3-SD 3.56Å; W667-M710 VanDerWaalsContact CZ3-SD 3.56Å
668	A	96.2	Very high	96.1	Very high	57 Å²	57	40.6 Å²	40.6	47%	0.471	24%	0.24	S	C	.	.	H	α-helix	trans	-57.5	-47.2	177.1	0	0	0	0	0	111.3	D664 L670 I671 E672	D664-A668 WeakPolarHBondContact O-CB 3.39Å; D664-A668 PolarHBondContact O-N 3.16Å; A668-L670 PolarHBondContact O-N 2.79Å; A668-I671 PolarHBondContact O-N 2.82Å; A668-E672 WeakPolarHBondContact O-CB 3.37Å; A668-E672 PolarHBondContact O-N 3.27Å
669	S	96.4	Very high	95.9	Very high	33 Å²	33	47 Å²	47	23%	0.231	27%	0.274	C	S	.	.	H	α-helix	trans	-64.6	-40.2	178.9	-57.9	0	0	0	0	112.9	D665 N666 W667 E673	D665-S669 WeakPolarHBondContact O-CB 3.32Å; D665-S669 PolarHBondContact O-N 3.27Å; D665-S669 PolarHBondContact O-OG 3.48Å; N666-S669 PolarHBondContact O-N 3.24Å; W667-S669 VanDerWaalsContact C-N 3.33Å; W667-S669 PolarHBondContact O-N 2.92Å; S669-E673 PolarHBondContact O-N 3.33Å
670	L	97.1	Very high	95.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.3	-40.2	175.9	-73.8	175.1	0	0	0	111.8	W647 K649 Y662 N666 W667 A668 L674 F681 M689	W647-L670 HydrophobicContact CB-CD2 3.94Å; W647-L670 HydrophobicContact CB-CG 4.23Å; W647-L670 HydrophobicContact CD2-CD2 3.85Å; W647-L670 HydrophobicContact CE3-CD2 3.7Å; W647-L670 HydrophobicContact CG-CD2 3.98Å; W647-L670 HydrophobicContact CZ3-CD2 4.5Å; K649-L670 HydrophobicContact CB-CD2 4.16Å; Y662-L670 HydrophobicContact CD2-CD1 4Å; Y662-L670 HydrophobicContact CE1-CD1 4.5Å; Y662-L670 HydrophobicContact CE2-CD1 3.97Å; Y662-L670 HydrophobicContact CG-CD1 4.33Å; N666-L670 WeakPolarHBondContact ND2-CD1 3.38Å; N666-L670 WeakPolarHBondContact O-CB 3.36Å; N666-L670 VanDerWaalsContact O-CG 3.28Å; N666-L670 WeakPolarHBondContact O-CG 3.32Å; N666-L670 PolarHBondContact O-N 3.07Å; W667-L670 PolarHBondContact O-N 3.43Å; A668-L670 PolarHBondContact O-N 2.79Å; L670-L674 WeakPolarHBondContact O-CB 3.45Å; L670-L674 PolarHBondContact O-N 2.7Å; L670-F681 HydrophobicContact CD2-CE1 3.91Å; L670-F681 HydrophobicContact CD2-CZ 3.69Å; L670-M689 HydrophobicContact CB-CE 4.13Å; L670-M689 HydrophobicContact CD1-CE 4.45Å
671	I	97.3	Very high	95.6	Very high	29 Å²	29	50.8 Å²	50.8	15%	0.149	29%	0.288	C	S	.	.	H	α-helix	trans	-66.2	-44.2	177.7	-72.9	166.4	0	0	0	110.7	W667 A668 L674 A675 I706 N709 M710	W667-I671 WeakPolarHBondContact O-CB 3.5Å; W667-I671 WeakPolarHBondContact O-CD1 3.37Å; W667-I671 VanDerWaalsContact O-CG1 3.24Å; W667-I671 WeakPolarHBondContact O-CG1 3.11Å; W667-I671 PolarHBondContact O-N 2.75Å; A668-I671 PolarHBondContact O-N 2.82Å; I671-L674 PolarHBondContact O-N 3.07Å; I671-A675 WeakPolarHBondContact O-CB 3.38Å; I671-A675 PolarHBondContact O-N 3.47Å; I671-I706 HydrophobicContact CD1-CG2 3.88Å; I671-N709 HydrophobicContact CD1-CB 3.99Å; I671-N709 HydrophobicContact CG2-CB 4.07Å; I671-M710 HydrophobicContact CD1-CG 4.05Å; I671-M710 HydrophobicContact CG1-CG 3.66Å
672	E	96.8	Very high	95.5	Very high	144 Å²	144	52.6 Å²	52.6	67%	0.673	30%	0.299	S	S	*	.	H	α-helix	trans	-60.2	-48.2	177.2	-172.9	-177.6	172.3	0	0	111.1	A668 L674 A675 A676	A668-E672 WeakPolarHBondContact O-CB 3.37Å; A668-E672 PolarHBondContact O-N 3.27Å; E672-L674 PolarHBondContact O-N 3.2Å; E672-A675 PolarHBondContact O-N 3.37Å; E672-A676 WeakPolarHBondContact O-CB 3.39Å; E672-A676 PolarHBondContact O-N 2.68Å
673	E	96.1	Very high	95.5	Very high	39 Å²	39	52.5 Å²	52.5	18%	0.182	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-41	177	-169	72.8	-131.5	0	0	111.8	W647 S669 A675 A676 N677 R680 F681	W647-E673 HydrophobicContact CZ2-CG 4.11Å; W647-E673 PolarHBondContact NE1-OE2 3.48Å; S669-E673 PolarHBondContact O-N 3.33Å; E673-A675 VanDerWaalsContact C-N 3.31Å; E673-A675 PolarHBondContact O-N 3.05Å; E673-A676 PolarHBondContact O-N 3.35Å; E673-N677 CarbonylContact O-C 3.5Å; E673-N677 WeakPolarHBondContact O-CA 3.23Å; E673-N677 PolarHBondContact O-N 3.01Å; E673-N677 PolarHBondContact OE1-ND2 2.96Å; E673-R680 HydrophobicContact CG-CB 4.25Å; E673-R680 HydrophobicContact CG-CG 4.12Å; E673-F681 HydrophobicContact CB-CE2 4.13Å; E673-F681 HydrophobicContact CB-CZ 4.32Å; E673-F681 HydrophobicContact CG-CE2 4.02Å; E673-F681 HydrophobicContact CG-CZ 4.23Å
674	L	95.9	Very high	95.5	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-64.4	-36.7	179.2	-178.3	63.5	0	0	0	111.9	L670 I671 E672 P678 F681 R686 M689 Y713	L670-L674 WeakPolarHBondContact O-CB 3.45Å; L670-L674 PolarHBondContact O-N 2.7Å; I671-L674 PolarHBondContact O-N 3.07Å; E672-L674 PolarHBondContact O-N 3.2Å; L674-P678 WeakPolarHBondContact O-CD 3.48Å; L674-P678 VanDerWaalsContact O-CG 3.23Å; L674-P678 WeakPolarHBondContact O-CG 3.36Å; L674-F681 HydrophobicContact CB-CD2 4.47Å; L674-F681 HydrophobicContact CB-CE2 4.16Å; L674-F681 HydrophobicContact CD1-CD2 3.97Å; L674-F681 HydrophobicContact CD1-CE2 4.49Å; L674-R686 HydrophobicContact CD1-CG 3.86Å; L674-M689 HydrophobicContact CD2-CE 4.23Å; L674-Y713 HydrophobicContact CD1-CD1 3.96Å; L674-Y713 HydrophobicContact CD1-CD2 4.24Å; L674-Y713 HydrophobicContact CD1-CE1 3.98Å; L674-Y713 HydrophobicContact CD1-CE2 4.21Å; L674-Y713 HydrophobicContact CD1-CG 4.15Å; L674-Y713 HydrophobicContact CD2-CD1 3.39Å; L674-Y713 HydrophobicContact CD2-CE1 3.56Å; L674-Y713 HydrophobicContact CD2-CG 4.24Å; L674-Y713 HydrophobicContact CG-CD1 3.46Å; L674-Y713 VanDerWaalsContact CG-CD1 3.46Å; L674-Y713 HydrophobicContact CG-CD2 4.37Å; L674-Y713 HydrophobicContact CG-CE1 3.89Å; L674-Y713 HydrophobicContact CG-CG 3.79Å
675	A	94.5	Very high	95.6	Very high	60 Å²	60	47.1 Å²	47.1	50%	0.496	27%	0.271	S	S	.	.	H	α-helix	trans	-73.3	-41	176	0	0	0	0	0	112.3	I671 E672 E673	I671-A675 WeakPolarHBondContact O-CB 3.38Å; I671-A675 PolarHBondContact O-N 3.47Å; E672-A675 PolarHBondContact O-N 3.37Å; E673-A675 VanDerWaalsContact C-N 3.31Å; E673-A675 PolarHBondContact O-N 3.05Å
676	A	95.1	Very high	95.8	Very high	67 Å²	67	41.6 Å²	41.6	55%	0.554	24%	0.241	S	C	*	.	H	α-helix	trans	-76.3	-48.1	-178	0	0	0	0	0	112.7	E672 E673	E672-A676 WeakPolarHBondContact O-CB 3.39Å; E672-A676 PolarHBondContact O-N 2.68Å; E673-A676 PolarHBondContact O-N 3.35Å
677	N	94.2	Very high	95.9	Very high	92 Å²	92	41.4 Å²	41.4	49%	0.492	24%	0.24	S	C	.	.			trans	-137.6	72.3	-173.2	-58.2	-53.5	0	0	0	111.8	E673 N679 R680	E673-N677 CarbonylContact O-C 3.5Å; E673-N677 WeakPolarHBondContact O-CA 3.23Å; E673-N677 PolarHBondContact O-N 3.01Å; E673-N677 PolarHBondContact OE1-ND2 2.96Å; N677-N679 PolarHBondContact O-N 3.29Å; N677-R680 HydrophobicContact CB-CB 4.39Å; N677-R680 VanDerWaalsContact O-CB 3.24Å; N677-R680 WeakPolarHBondContact O-CB 3.27Å; N677-R680 PolarHBondContact O-N 2.98Å
678	P	93.9	Very high	95.9	Very high	20 Å²	20	41.3 Å²	41.3	13%	0.13	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-54.4	-32.1	-177	-20.3	24.1	0	0	0	114.6	L674 R680 F681 R686 Y713	L674-P678 WeakPolarHBondContact O-CD 3.48Å; L674-P678 VanDerWaalsContact O-CG 3.23Å; L674-P678 WeakPolarHBondContact O-CG 3.36Å; P678-R680 PolarHBondContact O-N 3.33Å; P678-F681 PolarHBondContact O-N 3.19Å; P678-R686 WeakPolarHBondContact O-CD 3.24Å; P678-R686 PolarHBondContact O-NH1 3.46Å; P678-Y713 HydrophobicContact CB-CD2 4.19Å; P678-Y713 HydrophobicContact CG-CD2 4.29Å
679	N	93.4	Very high	96	Very high	135 Å²	135	38.7 Å²	38.7	72%	0.722	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-71.4	-6.3	-179.6	-65.6	-30.8	0	0	0	113.9	N677 F681	N677-N679 PolarHBondContact O-N 3.29Å; N679-F681 PolarHBondContact O-N 2.79Å
680	R	93.6	Very high	96	Very high	77 Å²	77	37.2 Å²	37.2	29%	0.291	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-66.1	-28.5	171.4	-175.5	59.2	-172.1	-163.5	2.8	111.7	T621 D622 N625 W647 E673 N677 P678	T621-R680 PolarHBondContact O-NH2 2.99Å; D622-R680 PolarHBondContact O-NH2 3.36Å; N625-R680 VanDerWaalsContact CG-NH2 3.34Å; N625-R680 VanDerWaalsContact ND2-CZ 3.34Å; N625-R680 PolarHBondContact ND2-NH1 2.71Å; N625-R680 PolarHBondContact OD1-NE 3.41Å; N625-R680 PolarHBondContact OD1-NH2 2.85Å; W647-R680 HydrophobicContact CH2-CG 4.19Å; W647-R680 HydrophobicContact CZ2-CG 3.72Å; E673-R680 HydrophobicContact CG-CB 4.25Å; E673-R680 HydrophobicContact CG-CG 4.12Å; N677-R680 HydrophobicContact CB-CB 4.39Å; N677-R680 VanDerWaalsContact O-CB 3.24Å; N677-R680 WeakPolarHBondContact O-CB 3.27Å; N677-R680 PolarHBondContact O-N 2.98Å; P678-R680 PolarHBondContact O-N 3.33Å
681	F	95.4	Very high	96	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.018	21%	0.208	C	C	.	.	S	Bend	trans	-99.3	143.3	171.8	-56.8	-71.7	0	0	0	109.6	W647 K649 L670 E673 L674 P678 N679 D685 R686 M689	W647-F681 HydrophobicContact CD2-CZ 4.4Å; W647-F681 HydrophobicContact CE3-CE1 4.17Å; W647-F681 HydrophobicContact CE3-CZ 4.41Å; W647-F681 HydrophobicContact CH2-CD1 4.43Å; W647-F681 AromaticContact CH2-CE1 3.62Å; W647-F681 HydrophobicContact CH2-CE1 3.62Å; W647-F681 HydrophobicContact CH2-CZ 4.04Å; W647-F681 HydrophobicContact CZ2-CE1 4.04Å; W647-F681 AromaticContact CZ2-CZ 3.97Å; W647-F681 HydrophobicContact CZ2-CZ 3.97Å; W647-F681 AromaticContact CZ3-CE1 3.68Å; W647-F681 HydrophobicContact CZ3-CE1 3.68Å; W647-F681 HydrophobicContact CZ3-CZ 4.26Å; K649-F681 HydrophobicContact CB-CE1 4.18Å; K649-F681 HydrophobicContact CG-CD1 4.46Å; K649-F681 HydrophobicContact CG-CE1 4.41Å; L670-F681 HydrophobicContact CD2-CE1 3.91Å; L670-F681 HydrophobicContact CD2-CZ 3.69Å; E673-F681 HydrophobicContact CB-CE2 4.13Å; E673-F681 HydrophobicContact CB-CZ 4.32Å; E673-F681 HydrophobicContact CG-CE2 4.02Å; E673-F681 HydrophobicContact CG-CZ 4.23Å; L674-F681 HydrophobicContact CB-CD2 4.47Å; L674-F681 HydrophobicContact CB-CE2 4.16Å; L674-F681 HydrophobicContact CD1-CD2 3.97Å; L674-F681 HydrophobicContact CD1-CE2 4.49Å; P678-F681 PolarHBondContact O-N 3.19Å; N679-F681 PolarHBondContact O-N 2.79Å; F681-D685 HydrophobicContact CB-CB 4.01Å; F681-R686 HydrophobicContact CB-CG 3.72Å; F681-R686 PolarHBondContact O-NH1 3.38Å; F681-M689 HydrophobicContact CD1-SD 4.33Å; F681-M689 HydrophobicContact CE1-SD 4.44Å
682	T	96.1	Very high	96	Very high	55 Å²	55	36.1 Å²	36.1	34%	0.337	20%	0.202	S	C	.	.			trans	-66.8	163.3	170.7	82.4	0	0	0	0	110.2	I653 E684 D685 R686	I653-T682 HydrophobicContact CG1-CG2 4.49Å; T682-E684 VanDerWaalsContact CB-OE2 3.27Å; T682-E684 WeakPolarHBondContact CB-OE2 3.49Å; T682-E684 PolarHBondContact O-N 3.46Å; T682-E684 PolarHBondContact OG1-N 3.42Å; T682-E684 PolarHBondContact OG1-OE2 2.7Å; T682-D685 PolarHBondContact O-N 3.34Å; T682-D685 VanDerWaalsContact O-N 3.14Å; T682-D685 PolarHBondContact OG1-N 2.94Å; T682-R686 WeakPolarHBondContact O-CG 3.14Å; T682-R686 PolarHBondContact O-N 2.87Å
683	S	96.4	Very high	96.1	Very high	11 Å²	11	29.3 Å²	29.3	8%	0.077	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-33.1	176.8	58.5	0	0	0	0	111.8	E441 L687 P722	E441-S683 WeakPolarHBondContact OE1-CB 3.33Å; E441-S683 PolarHBondContact OE1-OG 3.37Å; S683-L687 VanDerWaalsContact O-CB 3.25Å; S683-L687 WeakPolarHBondContact O-CB 3.4Å; S683-L687 PolarHBondContact O-N 3.41Å; S683-P722 VanDerWaalsContact O-CG 3.29Å; S683-P722 WeakPolarHBondContact O-CG 3.15Å
684	E	96.3	Very high	96.1	Very high	33 Å²	33	27.5 Å²	27.5	15%	0.154	16%	0.161	C	C	.	.	H	α-helix	trans	-64.3	-42.6	172.5	-59.8	84.2	175.9	0	0	112.4	R440 L444 I653 Q654 T682 L687 G688	R440-E684 HydrophobicContact CG-CG 3.76Å; R440-E684 WeakPolarHBondContact CG-OE1 3.43Å; L444-E684 HydrophobicContact CD1-CB 3.59Å; L444-E684 HydrophobicContact CD1-CG 3.59Å; I653-E684 HydrophobicContact CG2-CB 3.93Å; I653-E684 HydrophobicContact CG2-CG 3.92Å; Q654-E684 WeakPolarHBondContact CG-O 3.41Å; T682-E684 VanDerWaalsContact CB-OE2 3.27Å; T682-E684 WeakPolarHBondContact CB-OE2 3.49Å; T682-E684 PolarHBondContact O-N 3.46Å; T682-E684 PolarHBondContact OG1-N 3.42Å; T682-E684 PolarHBondContact OG1-OE2 2.7Å; E684-L687 PolarHBondContact O-N 3.32Å; E684-G688 PolarHBondContact O-N 3.3Å
685	D	97.2	Very high	96.1	Very high	5 Å²	5	28 Å²	28	3%	0.027	17%	0.165	C	C	.	.	H	α-helix	trans	-62.7	-46.4	177	-84.9	-44.5	0	0	0	111.6	K649 A652 I653 F681 T682 G688 M689	K649-D685 IonicContact NZ-OD1 3.64Å; K649-D685 PolarHBondContact NZ-OD1 3.46Å; A652-D685 WeakPolarHBondContact CA-OD1 3.39Å; I653-D685 PolarHBondContact N-OD1 2.8Å; F681-D685 HydrophobicContact CB-CB 4.01Å; T682-D685 PolarHBondContact O-N 3.34Å; T682-D685 VanDerWaalsContact O-N 3.14Å; T682-D685 PolarHBondContact OG1-N 2.94Å; D685-G688 PolarHBondContact O-N 2.97Å; D685-M689 WeakPolarHBondContact O-CB 3.43Å; D685-M689 VanDerWaalsContact O-CG 3.3Å; D685-M689 WeakPolarHBondContact O-CG 3.26Å; D685-M689 PolarHBondContact O-N 2.85Å
686	R	97.8	Very high	96.1	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.015	14%	0.141	C	C	.	.	H	α-helix	trans	-61.1	-44.6	176.1	-64	-164.8	-56.9	-84.9	2.2	111.7	L674 P678 F681 T682 G688 M689 L690 E717 H719 P722	L674-R686 HydrophobicContact CD1-CG 3.86Å; P678-R686 WeakPolarHBondContact O-CD 3.24Å; P678-R686 PolarHBondContact O-NH1 3.46Å; F681-R686 HydrophobicContact CB-CG 3.72Å; F681-R686 PolarHBondContact O-NH1 3.38Å; T682-R686 WeakPolarHBondContact O-CG 3.14Å; T682-R686 PolarHBondContact O-N 2.87Å; R686-G688 PolarHBondContact O-N 2.81Å; R686-M689 PolarHBondContact O-N 3.45Å; R686-L690 WeakPolarHBondContact O-CB 3.19Å; R686-L690 WeakPolarHBondContact O-CG 3.29Å; R686-L690 PolarHBondContact O-N 3.25Å; R686-E717 IonicContact CZ-OE1 3.81Å; R686-E717 IonicContact CZ-OE2 3.86Å; R686-E717 IonicContact NE-OE1 3.26Å; R686-E717 IonicContact NE-OE2 2.67Å; R686-E717 PolarHBondContact NE-OE2 3.46Å; R686-E717 IonicContact NH2-OE1 3.26Å; R686-E717 PolarHBondContact NH2-OE1 3.45Å; R686-E717 IonicContact NH2-OE2 3.64Å; R686-E717 PolarHBondContact NH2-OE2 3.46Å; R686-H719 PolarHBondContact NH2-ND1 2.92Å; R686-P722 HydrophobicContact CB-CB 4.31Å; R686-P722 HydrophobicContact CB-CG 4.1Å
687	L	97.6	Very high	96.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-56.2	-52.3	175.1	-177.9	164	0	0	0	110.6	E441 L444 L445 T449 S683 E684 L690 S691 P722 L725	E441-L687 HydrophobicContact CB-CD1 4.5Å; L444-L687 HydrophobicContact CB-CD1 3.94Å; L444-L687 HydrophobicContact CB-CD2 3.86Å; L444-L687 HydrophobicContact CD1-CD1 4.33Å; L444-L687 HydrophobicContact CD1-CD2 4.29Å; L445-L687 HydrophobicContact CD2-CD1 4.14Å; L445-L687 HydrophobicContact CG-CD1 4.04Å; T449-L687 HydrophobicContact CG2-CD2 3.74Å; S683-L687 VanDerWaalsContact O-CB 3.25Å; S683-L687 WeakPolarHBondContact O-CB 3.4Å; S683-L687 PolarHBondContact O-N 3.41Å; E684-L687 PolarHBondContact O-N 3.32Å; L687-L690 PolarHBondContact O-N 3.29Å; L687-S691 PolarHBondContact O-N 3.44Å; L687-P722 HydrophobicContact CB-CG 4.15Å; L687-L725 HydrophobicContact CD2-CD2 3.96Å; L687-L725 HydrophobicContact CG-CB 4.47Å; L687-L725 HydrophobicContact CG-CD2 3.93Å; L687-L725 WeakPolarHBondContact O-CD2 3.43Å
688	G	96.8	Very high	96	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-72.9	-31	-177.5	0	0	0	0	0	114.2	Q654 E684 D685 R686 S691 D692	Q654-G688 VanDerWaalsContact CD-CA 3.46Å; E684-G688 PolarHBondContact O-N 3.3Å; D685-G688 PolarHBondContact O-N 2.97Å; R686-G688 PolarHBondContact O-N 2.81Å; G688-S691 PolarHBondContact O-N 3.36Å; G688-D692 WeakPolarHBondContact O-CB 3.43Å; G688-D692 PolarHBondContact O-N 3.13Å
689	M	97.4	Very high	95.9	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-58.8	-50	169.7	-75.8	174.4	57.3	0	0	110.7	K649 L670 L674 F681 D685 R686 S691 D692 A693 M710	K649-M689 HydrophobicContact CD-CG 3.87Å; K649-M689 HydrophobicContact CD-SD 3.88Å; L670-M689 HydrophobicContact CB-CE 4.13Å; L670-M689 HydrophobicContact CD1-CE 4.45Å; L674-M689 HydrophobicContact CD2-CE 4.23Å; F681-M689 HydrophobicContact CD1-SD 4.33Å; F681-M689 HydrophobicContact CE1-SD 4.44Å; D685-M689 WeakPolarHBondContact O-CB 3.43Å; D685-M689 VanDerWaalsContact O-CG 3.3Å; D685-M689 WeakPolarHBondContact O-CG 3.26Å; D685-M689 PolarHBondContact O-N 2.85Å; R686-M689 PolarHBondContact O-N 3.45Å; M689-S691 VanDerWaalsContact C-N 3.31Å; M689-S691 PolarHBondContact O-N 3.09Å; M689-D692 PolarHBondContact O-N 3.03Å; M689-A693 WeakPolarHBondContact O-CB 3.41Å; M689-A693 PolarHBondContact O-N 2.93Å; M689-M710 HydrophobicContact CB-CE 4.32Å; M689-M710 WeakPolarHBondContact O-CE 3.47Å
690	L	97.7	Very high	95.7	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-58	-43.7	175.1	-74.1	167.3	0	0	0	111.4	R686 L687 D692 A693 F694 M710 I711 Y713 L714 P722 L725 A726	R686-L690 WeakPolarHBondContact O-CB 3.19Å; R686-L690 WeakPolarHBondContact O-CG 3.29Å; R686-L690 PolarHBondContact O-N 3.25Å; L687-L690 PolarHBondContact O-N 3.29Å; L690-D692 PolarHBondContact O-N 3.08Å; L690-A693 PolarHBondContact O-N 2.73Å; L690-F694 HydrophobicContact CD2-CE2 4.28Å; L690-F694 VanDerWaalsContact O-CD2 3.23Å; L690-F694 WeakPolarHBondContact O-CD2 3.48Å; L690-F694 PolarHBondContact O-N 3.09Å; L690-M710 HydrophobicContact CB-CE 4.45Å; L690-M710 HydrophobicContact CD2-CE 3.78Å; L690-M710 HydrophobicContact CG-CE 4.18Å; L690-I711 HydrophobicContact CD2-CG2 4.22Å; L690-Y713 HydrophobicContact CD1-CE1 4.27Å; L690-Y713 WeakPolarHBondContact CD1-OH 3.1Å; L690-Y713 HydrophobicContact CD2-CE1 4.31Å; L690-Y713 HydrophobicContact CG-CE1 4.47Å; L690-L714 HydrophobicContact CD1-CD2 4.42Å; L690-P722 HydrophobicContact CD1-CB 4.01Å; L690-L725 HydrophobicContact CB-CD2 3.98Å; L690-A726 HydrophobicContact CD1-CB 4.3Å
691	S	97	Very high	95.6	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.007	6%	0.064	C	C	.	.	H	α-helix	trans	-59.9	-47.8	177.8	-170.9	0	0	0	0	111.4	R659 L687 G688 M689 T695	R659-S691 VanDerWaalsContact NH1-C 3.27Å; R659-S691 PolarHBondContact NH1-O 3.14Å; R659-S691 PolarHBondContact NH1-OG 3.31Å; R659-S691 PolarHBondContact NH2-OG 2.78Å; R659-S691 VanDerWaalsContact NH2-OG 3.12Å; L687-S691 PolarHBondContact O-N 3.44Å; G688-S691 PolarHBondContact O-N 3.36Å; M689-S691 VanDerWaalsContact C-N 3.31Å; M689-S691 PolarHBondContact O-N 3.09Å; S691-T695 WeakPolarHBondContact O-CB 3.31Å; S691-T695 PolarHBondContact O-N 3.47Å; S691-T695 PolarHBondContact O-OG1 3.35Å
692	D	97.6	Very high	95.5	Very high	6 Å²	6	11.7 Å²	11.7	3%	0.032	7%	0.065	C	C	.	.	H	α-helix	trans	-62.5	-48.3	179.1	-78.2	-3.5	0	0	0	110.6	R659 V660 G688 M689 L690 F694 T695 L696	R659-D692 WeakPolarHBondContact CB-OD1 3.15Å; R659-D692 WeakPolarHBondContact CG-OD1 3.43Å; R659-D692 IonicContact CZ-OD1 3.17Å; R659-D692 IonicContact NH1-OD1 3.95Å; R659-D692 PolarHBondContact NH1-OD1 3.1Å; V660-D692 PolarHBondContact N-OD2 2.97Å; G688-D692 WeakPolarHBondContact O-CB 3.43Å; G688-D692 PolarHBondContact O-N 3.13Å; M689-D692 PolarHBondContact O-N 3.03Å; L690-D692 PolarHBondContact O-N 3.08Å; D692-F694 PolarHBondContact O-N 2.7Å; D692-T695 PolarHBondContact O-N 3.13Å; D692-L696 HydrophobicContact CB-CD1 4.24Å; D692-L696 WeakPolarHBondContact O-CB 3.47Å; D692-L696 WeakPolarHBondContact O-CD1 3.42Å; D692-L696 WeakPolarHBondContact O-CG 3.22Å; D692-L696 PolarHBondContact O-N 3.49Å
693	A	97.2	Very high	95.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.1	-50.3	-179.9	0	0	0	0	0	112.7	M689 L690 T695 L696 C697 L702 T707 M710	M689-A693 WeakPolarHBondContact O-CB 3.41Å; M689-A693 PolarHBondContact O-N 2.93Å; L690-A693 PolarHBondContact O-N 2.73Å; A693-T695 PolarHBondContact O-N 2.91Å; A693-L696 PolarHBondContact O-N 3.22Å; A693-C697 WeakPolarHBondContact O-CB 3.4Å; A693-C697 PolarHBondContact O-N 3.28Å; A693-L702 HydrophobicContact CB-CD2 4.1Å; A693-T707 HydrophobicContact CB-CG2 4.3Å; A693-T707 PolarHBondContact O-OG1 3.31Å; A693-M710 HydrophobicContact CB-CE 3.27Å; A693-M710 HydrophobicContact CB-SD 3.56Å; A693-M710 VanDerWaalsContact CB-SD 3.56Å
694	F	96.9	Very high	95.2	Very high	1 Å²	1	11.1 Å²	11.1	0%	0.004	6%	0.062	C	C	.	.	H	α-helix	trans	-62.9	-44.7	179.8	-84.1	-67.3	0	0	0	112.6	L690 D692 H698 T707 I711 A726 H729 L730 W733	L690-F694 HydrophobicContact CD2-CE2 4.28Å; L690-F694 VanDerWaalsContact O-CD2 3.23Å; L690-F694 WeakPolarHBondContact O-CD2 3.48Å; L690-F694 PolarHBondContact O-N 3.09Å; D692-F694 PolarHBondContact O-N 2.7Å; F694-H698 WeakPolarHBondContact O-CB 3.27Å; F694-H698 PolarHBondContact O-N 3.29Å; F694-T707 HydrophobicContact CD1-CG2 3.7Å; F694-T707 HydrophobicContact CE1-CG2 3.85Å; F694-T707 HydrophobicContact CG-CG2 4.09Å; F694-T707 HydrophobicContact CZ-CG2 4.35Å; F694-I711 HydrophobicContact CE2-CG2 4Å; F694-I711 HydrophobicContact CZ-CG2 3.66Å; F694-A726 HydrophobicContact CE2-CB 4.15Å; F694-H729 HydrophobicContact CB-CB 4Å; F694-H729 HydrophobicContact CD1-CB 3.57Å; F694-H729 HydrophobicContact CD2-CB 3.77Å; F694-H729 AromaticContact CD2-CG 3.95Å; F694-H729 HydrophobicContact CE1-CB 3.88Å; F694-H729 HydrophobicContact CE2-CB 4.08Å; F694-H729 HydrophobicContact CG-CB 3.51Å; F694-H729 AromaticContact CG-CG 3.67Å; F694-H729 HydrophobicContact CZ-CB 4.12Å; F694-L730 HydrophobicContact CE1-CD2 4.26Å; F694-L730 HydrophobicContact CE1-CG 4.42Å; F694-L730 HydrophobicContact CZ-CD2 4.22Å; F694-L730 HydrophobicContact CZ-CG 4.06Å; F694-W733 AromaticContact CD1-CE2 3.93Å; F694-W733 HydrophobicContact CD1-CH2 4.05Å; F694-W733 AromaticContact CD1-CZ2 3.6Å; F694-W733 HydrophobicContact CD1-CZ2 3.6Å; F694-W733 HydrophobicContact CE1-CD2 4.42Å; F694-W733 HydrophobicContact CE1-CE3 4.44Å; F694-W733 AromaticContact CE1-CH2 3.93Å; F694-W733 HydrophobicContact CE1-CH2 3.93Å; F694-W733 AromaticContact CE1-CZ2 3.89Å; F694-W733 HydrophobicContact CE1-CZ2 3.89Å; F694-W733 HydrophobicContact CE1-CZ3 4.21Å
695	T	95.4	Very high	95.1	Very high	14 Å²	14	12.5 Å²	12.5	9%	0.086	7%	0.068	C	C	.	.	H	α-helix	trans	-73.8	-35	-178	-65.5	0	0	0	0	111.6	D453 A456 F564 S691 D692 A693 A699	D453-T695 PolarHBondContact OD1-OG1 3.47Å; A456-T695 HydrophobicContact CB-CG2 4.05Å; F564-T695 HydrophobicContact CZ-CG2 4.34Å; S691-T695 WeakPolarHBondContact O-CB 3.31Å; S691-T695 PolarHBondContact O-N 3.47Å; S691-T695 PolarHBondContact O-OG1 3.35Å; D692-T695 PolarHBondContact O-N 3.13Å; A693-T695 PolarHBondContact O-N 2.91Å; T695-A699 WeakPolarHBondContact O-CB 3.13Å; T695-A699 PolarHBondContact O-N 2.75Å
696	L	95.7	Very high	95	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-70.4	-39.2	174	-66.9	168.7	0	0	0	112.4	L547 F564 V660 V661 D692 A693 A699 N700 L701 L702	L547-L696 HydrophobicContact CD1-CD2 3.77Å; L547-L696 HydrophobicContact CD2-CD2 4.4Å; F564-L696 HydrophobicContact CE2-CD2 3.89Å; V660-L696 WeakPolarHBondContact O-CD1 3.17Å; V661-L696 HydrophobicContact CB-CD1 4.05Å; V661-L696 HydrophobicContact CG2-CD1 4.44Å; D692-L696 HydrophobicContact CB-CD1 4.24Å; D692-L696 WeakPolarHBondContact O-CB 3.47Å; D692-L696 WeakPolarHBondContact O-CD1 3.42Å; D692-L696 WeakPolarHBondContact O-CG 3.22Å; D692-L696 PolarHBondContact O-N 3.49Å; A693-L696 PolarHBondContact O-N 3.22Å; L696-A699 CarbonylContact O-C 3.57Å; L696-A699 PolarHBondContact O-N 3.44Å; L696-N700 PolarHBondContact O-N 2.88Å; L696-N700 VanDerWaalsContact O-N 3.1Å; L696-L701 HydrophobicContact CB-CB 4.36Å; L696-L701 HydrophobicContact CD2-CB 3.91Å; L696-L701 HydrophobicContact CD2-CD1 3.83Å; L696-L701 PolarHBondContact O-N 3.33Å; L696-L702 HydrophobicContact CB-CB 3.66Å; L696-L702 HydrophobicContact CB-CD2 4.37Å; L696-L702 PolarHBondContact O-N 3.38Å
697	C	94.8	Very high	94.9	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.9	-44.4	172.9	150.4	0	0	0	0	110.6	A693 A699 N700 L702 C704 T707 W733 W969	A693-C697 WeakPolarHBondContact O-CB 3.4Å; A693-C697 PolarHBondContact O-N 3.28Å; C697-A699 VanDerWaalsContact C-N 3.32Å; C697-A699 PolarHBondContact O-N 3.46Å; C697-N700 PolarHBondContact O-N 3.07Å; C697-L702 WeakPolarHBondContact CA-O 3.47Å; C697-C704 HydrophobicContact CB-CB 4.34Å; C697-C704 WeakPolarHBondContact CB-SG 3.35Å; C697-C704 WeakPolarHBondContact SG-CB 3.47Å; C697-C704 CovalentContact SG-SG 2.08Å; C697-C704 PolarHBondContact SG-SG 2.87Å; C697-T707 VanDerWaalsContact CB-OG1 3.29Å; C697-T707 WeakPolarHBondContact CB-OG1 3.41Å; C697-W733 VanDerWaalsContact SG-CZ2 3.55Å; C697-W969 PolarHBondContact SG-NE1 2.92Å
698	H	92.6	Very high	94.8	Very high	12 Å²	12	13 Å²	13	6%	0.056	7%	0.072	C	C	.	.	H	α-helix	trans	-64.4	-34.6	176.1	-169	-107.4	0	0	0	113.1	F694 N700 K732 S965 N966 W969	F694-H698 WeakPolarHBondContact O-CB 3.27Å; F694-H698 PolarHBondContact O-N 3.29Å; H698-N700 PolarHBondContact O-N 3.37Å; H698-K732 PolarHBondContact CE1-NZ 2.61Å; H698-K732 PolarHBondContact ND1-NZ 3.21Å; H698-K732 VanDerWaalsContact ND1-NZ 3.2Å; H698-S965 PolarHBondContact CE1-OG 3.48Å; H698-N966 PolarHBondContact CE1-OD1 2.8Å; H698-N966 VanDerWaalsContact CE1-OD1 3.29Å; H698-N966 PolarHBondContact NE2-OD1 3.31Å; H698-W969 AromaticContact CD2-CD2 3.87Å; H698-W969 AromaticContact CD2-CG 3.8Å
699	A	90.9	Very high	94.7	Very high	7 Å²	7	15.5 Å²	15.5	6%	0.058	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	0.7	174.5	0	0	0	0	0	114	F564 P566 A567 T695 L696 C697 L701	F564-A699 HydrophobicContact CE1-CB 4.42Å; F564-A699 HydrophobicContact CZ-CB 3.79Å; P566-A699 HydrophobicContact CB-CB 4.29Å; A567-A699 PolarHBondContact N-O 3.09Å; T695-A699 WeakPolarHBondContact O-CB 3.13Å; T695-A699 PolarHBondContact O-N 2.75Å; L696-A699 CarbonylContact O-C 3.57Å; L696-A699 PolarHBondContact O-N 3.44Å; C697-A699 VanDerWaalsContact C-N 3.32Å; C697-A699 PolarHBondContact O-N 3.46Å; A699-L701 VanDerWaalsContact C-N 3.31Å; A699-L701 HydrophobicContact CB-CD1 4.22Å; A699-L701 HydrophobicContact CB-CG 4.25Å; A699-L701 PolarHBondContact O-N 3.4Å
700	N	88.7	Confident	94.5	Very high	42 Å²	42	15.5 Å²	15.5	23%	0.225	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	40.9	-178.9	-173.3	43.4	0	0	0	113.1	A567 L696 C697 H698 R972	A567-N700 HydrophobicContact CB-CB 3.8Å; A567-N700 WeakPolarHBondContact CB-ND2 3.28Å; L696-N700 PolarHBondContact O-N 2.88Å; L696-N700 VanDerWaalsContact O-N 3.1Å; C697-N700 PolarHBondContact O-N 3.07Å; H698-N700 PolarHBondContact O-N 3.37Å; N700-R972 WeakPolarHBondContact ND2-CD 3.31Å; N700-R972 PolarHBondContact ND2-NE 3.1Å; N700-R972 PolarHBondContact ND2-NH1 3.45Å
701	L	91.8	Very high	94.4	Very high	42 Å²	42	15.6 Å²	15.6	22%	0.22	9%	0.085	C	C	.	.	S	Bend	trans	-112.7	-6.5	174.9	-62.6	177	0	0	0	112.6	L547 F564 L696 A699	L547-L701 HydrophobicContact CD2-CD1 3.85Å; F564-L701 HydrophobicContact CE2-CD1 4Å; F564-L701 HydrophobicContact CZ-CD1 4.18Å; L696-L701 HydrophobicContact CB-CB 4.36Å; L696-L701 HydrophobicContact CD2-CB 3.91Å; L696-L701 HydrophobicContact CD2-CD1 3.83Å; L696-L701 PolarHBondContact O-N 3.33Å; A699-L701 VanDerWaalsContact C-N 3.31Å; A699-L701 HydrophobicContact CB-CD1 4.22Å; A699-L701 HydrophobicContact CB-CG 4.25Å; A699-L701 PolarHBondContact O-N 3.4Å
702	L	93.8	Very high	94.2	Very high	9 Å²	9	18.5 Å²	18.5	5%	0.047	10%	0.098	C	C	.	.	S	Bend	trans	-141.8	132.5	178.2	-171.4	73.4	0	0	0	109.3	V661 W667 A693 L696 C697 I706	V661-L702 HydrophobicContact CG2-CD1 4.32Å; W667-L702 HydrophobicContact CZ2-CD1 4.17Å; W667-L702 HydrophobicContact CZ2-CD2 4.2Å; A693-L702 HydrophobicContact CB-CD2 4.1Å; L696-L702 HydrophobicContact CB-CB 3.66Å; L696-L702 HydrophobicContact CB-CD2 4.37Å; L696-L702 PolarHBondContact O-N 3.38Å; C697-L702 WeakPolarHBondContact CA-O 3.47Å; L702-I706 HydrophobicContact CD1-CB 4.4Å; L702-I706 HydrophobicContact CD1-CD1 3.68Å; L702-I706 HydrophobicContact CD1-CG2 4.23Å; L702-I706 HydrophobicContact CD2-CB 4.25Å; L702-I706 HydrophobicContact CD2-CG2 4Å; L702-I706 HydrophobicContact CG-CB 4.18Å; L702-I706 HydrophobicContact CG-CD1 4.24Å; L702-I706 HydrophobicContact CG-CG2 4.29Å
703	P	93.1	Very high	94.1	Very high	47 Å²	47	18.6 Å²	18.6	31%	0.305	10%	0.098	S	C	.	.			trans	-55.9	138.5	171.7	-25	33.5	0	0	0	111.7	E705 I706	P703-E705 VanDerWaalsContact CB-OE2 3.31Å; P703-E705 WeakPolarHBondContact CB-OE2 3.38Å; P703-E705 PolarHBondContact O-N 3.41Å; P703-I706 HydrophobicContact CB-CG1 4.47Å; P703-I706 HydrophobicContact CG-CD1 4.34Å; P703-I706 PolarHBondContact O-N 3.3Å
704	C	92.5	Very high	94	Very high	6 Å²	6	19.1 Å²	19.1	4%	0.041	10%	0.101	C	C	.	.	H	α-helix	trans	-73.7	-18.3	-174.2	-67.5	0	0	0	0	112.9	C697 I706 T707 M708 W969 S973	C697-C704 HydrophobicContact CB-CB 4.34Å; C697-C704 WeakPolarHBondContact CB-SG 3.35Å; C697-C704 WeakPolarHBondContact SG-CB 3.47Å; C697-C704 CovalentContact SG-SG 2.08Å; C697-C704 PolarHBondContact SG-SG 2.87Å; C704-I706 VanDerWaalsContact C-N 3.28Å; C704-I706 PolarHBondContact O-N 3.19Å; C704-T707 WeakPolarHBondContact O-CB 3.35Å; C704-T707 PolarHBondContact O-N 3.05Å; C704-T707 VanDerWaalsContact O-N 3.16Å; C704-M708 WeakPolarHBondContact O-CG 3.48Å; C704-M708 PolarHBondContact O-N 2.74Å; C704-W969 PolarHBondContact SG-NE1 3.4Å; C704-S973 PolarHBondContact SG-OG 2.66Å
705	E	94	Very high	93.9	Very high	62 Å²	62	20 Å²	20	29%	0.29	11%	0.107	S	C	.	.	H	α-helix	trans	-58	-39.1	169.7	-61.3	85.7	167.4	0	0	111.8	P703 T707 M708 N709 S976	P703-E705 VanDerWaalsContact CB-OE2 3.31Å; P703-E705 WeakPolarHBondContact CB-OE2 3.38Å; P703-E705 PolarHBondContact O-N 3.41Å; E705-T707 VanDerWaalsContact C-N 3.33Å; E705-T707 PolarHBondContact O-N 3.16Å; E705-M708 PolarHBondContact O-N 3.3Å; E705-N709 WeakPolarHBondContact O-CB 3.47Å; E705-N709 PolarHBondContact O-N 3.13Å; E705-N709 PolarHBondContact O-ND2 3.06Å; E705-S976 WeakPolarHBondContact OE1-CB 3.42Å
706	I	95.4	Very high	93.8	Very high	20 Å²	20	22.5 Å²	22.5	10%	0.103	13%	0.125	C	C	.	.	H	α-helix	trans	-64.2	-43	176.9	-61.5	-178.5	0	0	0	109.9	W667 I671 L702 P703 C704 N709 M710	W667-I706 HydrophobicContact CB-CG2 4.34Å; W667-I706 HydrophobicContact CD2-CG2 3.94Å; W667-I706 HydrophobicContact CE3-CG2 4.11Å; W667-I706 HydrophobicContact CG-CD1 4.36Å; W667-I706 HydrophobicContact CG-CG2 4.07Å; I671-I706 HydrophobicContact CD1-CG2 3.88Å; L702-I706 HydrophobicContact CD1-CB 4.4Å; L702-I706 HydrophobicContact CD1-CD1 3.68Å; L702-I706 HydrophobicContact CD1-CG2 4.23Å; L702-I706 HydrophobicContact CD2-CB 4.25Å; L702-I706 HydrophobicContact CD2-CG2 4Å; L702-I706 HydrophobicContact CG-CB 4.18Å; L702-I706 HydrophobicContact CG-CD1 4.24Å; L702-I706 HydrophobicContact CG-CG2 4.29Å; P703-I706 HydrophobicContact CB-CG1 4.47Å; P703-I706 HydrophobicContact CG-CD1 4.34Å; P703-I706 PolarHBondContact O-N 3.3Å; C704-I706 VanDerWaalsContact C-N 3.28Å; C704-I706 PolarHBondContact O-N 3.19Å; I706-N709 PolarHBondContact O-N 2.93Å; I706-M710 PolarHBondContact O-N 3.03Å
707	T	95.6	Very high	93.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-65.2	-41.5	177.4	-55.7	0	0	0	0	111.1	A693 F694 C697 C704 E705 M710 I711 W733	A693-T707 HydrophobicContact CB-CG2 4.3Å; A693-T707 PolarHBondContact O-OG1 3.31Å; F694-T707 HydrophobicContact CD1-CG2 3.7Å; F694-T707 HydrophobicContact CE1-CG2 3.85Å; F694-T707 HydrophobicContact CG-CG2 4.09Å; F694-T707 HydrophobicContact CZ-CG2 4.35Å; C697-T707 VanDerWaalsContact CB-OG1 3.29Å; C697-T707 WeakPolarHBondContact CB-OG1 3.41Å; C704-T707 WeakPolarHBondContact O-CB 3.35Å; C704-T707 PolarHBondContact O-N 3.05Å; C704-T707 VanDerWaalsContact O-N 3.16Å; E705-T707 VanDerWaalsContact C-N 3.33Å; E705-T707 PolarHBondContact O-N 3.16Å; T707-M710 WeakPolarHBondContact O-CB 3.23Å; T707-M710 PolarHBondContact O-N 2.93Å; T707-I711 PolarHBondContact O-N 3.06Å; T707-I711 VanDerWaalsContact O-N 3.14Å; T707-W733 HydrophobicContact CG2-CH2 3.87Å; T707-W733 HydrophobicContact CG2-CZ2 4.31Å
708	M	95.1	Very high	93.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67	-38.8	177.4	-68.9	-55.9	-67	0	0	112.6	C704 E705 M710 I711 W733 L746 F749 L977 W980 V981	C704-M708 WeakPolarHBondContact O-CG 3.48Å; C704-M708 PolarHBondContact O-N 2.74Å; E705-M708 PolarHBondContact O-N 3.3Å; M708-M710 VanDerWaalsContact C-N 3.32Å; M708-M710 PolarHBondContact O-N 3.07Å; M708-I711 HydrophobicContact CE-CD1 3.8Å; M708-I711 WeakPolarHBondContact O-CG1 3.18Å; M708-I711 PolarHBondContact O-N 2.67Å; M708-I711 HydrophobicContact SD-CD1 3.79Å; M708-I711 HydrophobicContact SD-CG1 4.47Å; M708-W733 HydrophobicContact SD-CH2 4.47Å; M708-W733 HydrophobicContact SD-CZ3 3.79Å; M708-L746 HydrophobicContact CE-CD1 3.83Å; M708-F749 HydrophobicContact CE-CD1 4.09Å; M708-F749 HydrophobicContact CE-CE1 3.88Å; M708-L977 HydrophobicContact CE-CD1 3.82Å; M708-L977 HydrophobicContact CG-CD1 3.52Å; M708-L977 HydrophobicContact SD-CD1 3.47Å; M708-L977 WeakPolarHBondContact SD-CD1 3.3Å; M708-W980 HydrophobicContact CB-CD2 3.6Å; M708-W980 HydrophobicContact CB-CE3 3.7Å; M708-W980 HydrophobicContact CB-CG 4.31Å; M708-W980 HydrophobicContact CB-CH2 3.77Å; M708-W980 HydrophobicContact CB-CZ2 3.62Å; M708-W980 HydrophobicContact CB-CZ3 3.81Å; M708-W980 HydrophobicContact CE-CE3 3.73Å; M708-W980 HydrophobicContact CE-CH2 4.22Å; M708-W980 HydrophobicContact CE-CZ3 3.45Å; M708-W980 VanDerWaalsContact CE-CZ3 3.45Å; M708-W980 HydrophobicContact CG-CD2 4.25Å; M708-W980 HydrophobicContact CG-CE3 4.1Å; M708-W980 HydrophobicContact CG-CZ3 4.42Å; M708-W980 WeakPolarHBondContact O-CH2 3.42Å; M708-V981 HydrophobicContact CE-CG2 3.98Å
709	N	95.3	Very high	93.8	Very high	52 Å²	52	29.2 Å²	29.2	28%	0.278	16%	0.162	S	C	.	.	H	α-helix	trans	-63.1	-39.9	172.7	-74.5	-19.8	0	0	0	111.7	I671 E705 I706 I711 Q712 W980	I671-N709 HydrophobicContact CD1-CB 3.99Å; I671-N709 HydrophobicContact CG2-CB 4.07Å; E705-N709 WeakPolarHBondContact O-CB 3.47Å; E705-N709 PolarHBondContact O-N 3.13Å; E705-N709 PolarHBondContact O-ND2 3.06Å; I706-N709 PolarHBondContact O-N 2.93Å; N709-I711 PolarHBondContact O-N 2.72Å; N709-Q712 WeakPolarHBondContact O-CB 3.34Å; N709-Q712 WeakPolarHBondContact O-CG 3.39Å; N709-Q712 PolarHBondContact O-N 2.93Å; N709-Q712 PolarHBondContact OD1-NE2 2.59Å; N709-W980 VanDerWaalsContact OD1-CZ2 3.26Å; N709-W980 WeakPolarHBondContact OD1-CZ2 3.46Å; N709-W980 PolarHBondContact OD1-NE1 3.43Å
710	M	94.5	Very high	94	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.015	16%	0.161	C	C	.	.	H	α-helix	trans	-62.9	-40.4	175.3	-83.2	-173.6	26.1	0	0	113	W667 I671 M689 L690 A693 I706 T707 M708 Q712 Y713	W667-M710 HydrophobicContact CE3-SD 4.22Å; W667-M710 HydrophobicContact CH2-SD 4.29Å; W667-M710 HydrophobicContact CZ3-SD 3.56Å; W667-M710 VanDerWaalsContact CZ3-SD 3.56Å; I671-M710 HydrophobicContact CD1-CG 4.05Å; I671-M710 HydrophobicContact CG1-CG 3.66Å; M689-M710 HydrophobicContact CB-CE 4.32Å; M689-M710 WeakPolarHBondContact O-CE 3.47Å; L690-M710 HydrophobicContact CB-CE 4.45Å; L690-M710 HydrophobicContact CD2-CE 3.78Å; L690-M710 HydrophobicContact CG-CE 4.18Å; A693-M710 HydrophobicContact CB-CE 3.27Å; A693-M710 HydrophobicContact CB-SD 3.56Å; A693-M710 VanDerWaalsContact CB-SD 3.56Å; I706-M710 PolarHBondContact O-N 3.03Å; T707-M710 WeakPolarHBondContact O-CB 3.23Å; T707-M710 PolarHBondContact O-N 2.93Å; M708-M710 VanDerWaalsContact C-N 3.32Å; M708-M710 PolarHBondContact O-N 3.07Å; M710-Q712 PolarHBondContact O-N 3.35Å; M710-Q712 VanDerWaalsContact O-N 3.13Å; M710-Y713 WeakPolarHBondContact O-CD1 3.35Å
711	I	94.8	Very high	94.3	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-73	-4.4	-178.7	64.5	168.8	0	0	0	113.7	L690 F694 T707 M708 N709 Y713 L714 L730 F749 I750	L690-I711 HydrophobicContact CD2-CG2 4.22Å; F694-I711 HydrophobicContact CE2-CG2 4Å; F694-I711 HydrophobicContact CZ-CG2 3.66Å; T707-I711 PolarHBondContact O-N 3.06Å; T707-I711 VanDerWaalsContact O-N 3.14Å; M708-I711 HydrophobicContact CE-CD1 3.8Å; M708-I711 WeakPolarHBondContact O-CG1 3.18Å; M708-I711 PolarHBondContact O-N 2.67Å; M708-I711 HydrophobicContact SD-CD1 3.79Å; M708-I711 HydrophobicContact SD-CG1 4.47Å; N709-I711 PolarHBondContact O-N 2.72Å; I711-Y713 PolarHBondContact O-N 2.86Å; I711-L714 HydrophobicContact CB-CD1 3.76Å; I711-L714 HydrophobicContact CB-CG 4.15Å; I711-L714 HydrophobicContact CG2-CD1 4.11Å; I711-L714 WeakPolarHBondContact O-CB 3.22Å; I711-L714 VanDerWaalsContact O-CG 3.27Å; I711-L714 WeakPolarHBondContact O-CG 3.44Å; I711-L714 PolarHBondContact O-N 2.97Å; I711-L730 HydrophobicContact CD1-CD2 4.33Å; I711-F749 HydrophobicContact CD1-CE1 4.05Å; I711-I750 HydrophobicContact CD1-CD1 3.96Å
712	Q	93.1	Very high	94.5	Very high	62 Å²	62	25.3 Å²	25.3	29%	0.29	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-62.7	-27.6	178.3	-66.3	-159.5	52.1	0	0	113.3	N709 M710 L714 P715 W980	N709-Q712 WeakPolarHBondContact O-CB 3.34Å; N709-Q712 WeakPolarHBondContact O-CG 3.39Å; N709-Q712 PolarHBondContact O-N 2.93Å; N709-Q712 PolarHBondContact OD1-NE2 2.59Å; M710-Q712 PolarHBondContact O-N 3.35Å; M710-Q712 VanDerWaalsContact O-N 3.13Å; Q712-L714 VanDerWaalsContact C-N 3.31Å; Q712-L714 PolarHBondContact O-N 2.77Å; Q712-P715 VanDerWaalsContact O-CD 3.23Å; Q712-P715 WeakPolarHBondContact O-CD 3.35Å; Q712-W980 HydrophobicContact CG-CH2 4.04Å; Q712-W980 HydrophobicContact CG-CZ2 4.16Å
713	Y	95.3	Very high	94.7	Very high	8 Å²	8	25 Å²	25	3%	0.031	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-77.4	-13.9	179.4	93.3	-90.4	0	0	0	113.4	L674 P678 L690 M710 I711 P715 S716 E717	L674-Y713 HydrophobicContact CD1-CD1 3.96Å; L674-Y713 HydrophobicContact CD1-CD2 4.24Å; L674-Y713 HydrophobicContact CD1-CE1 3.98Å; L674-Y713 HydrophobicContact CD1-CE2 4.21Å; L674-Y713 HydrophobicContact CD1-CG 4.15Å; L674-Y713 HydrophobicContact CD2-CD1 3.39Å; L674-Y713 HydrophobicContact CD2-CE1 3.56Å; L674-Y713 HydrophobicContact CD2-CG 4.24Å; L674-Y713 HydrophobicContact CG-CD1 3.46Å; L674-Y713 VanDerWaalsContact CG-CD1 3.46Å; L674-Y713 HydrophobicContact CG-CD2 4.37Å; L674-Y713 HydrophobicContact CG-CE1 3.89Å; L674-Y713 HydrophobicContact CG-CG 3.79Å; P678-Y713 HydrophobicContact CB-CD2 4.19Å; P678-Y713 HydrophobicContact CG-CD2 4.29Å; L690-Y713 HydrophobicContact CD1-CE1 4.27Å; L690-Y713 WeakPolarHBondContact CD1-OH 3.1Å; L690-Y713 HydrophobicContact CD2-CE1 4.31Å; L690-Y713 HydrophobicContact CG-CE1 4.47Å; M710-Y713 WeakPolarHBondContact O-CD1 3.35Å; I711-Y713 PolarHBondContact O-N 2.86Å; Y713-P715 VanDerWaalsContact C-N 3.3Å; Y713-P715 WeakPolarHBondContact O-CD 3.26Å; Y713-P715 VanDerWaalsContact O-N 3.1Å; Y713-S716 WeakPolarHBondContact O-CA 3.24Å; Y713-S716 WeakPolarHBondContact O-CB 3.5Å; Y713-S716 PolarHBondContact O-N 3.47Å; Y713-E717 HydrophobicContact CD2-CB 4.44Å; Y713-E717 HydrophobicContact CE2-CB 3.82Å; Y713-E717 HydrophobicContact CE2-CG 4.29Å; Y713-E717 VanDerWaalsContact CE2-OE2 3.25Å; Y713-E717 WeakPolarHBondContact CE2-OE2 3.31Å; Y713-E717 PolarHBondContact OH-OE2 3.36Å
714	L	94.8	Very high	94.8	Very high	12 Å²	12	23.1 Å²	23.1	6%	0.063	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-50.9	-35.2	-173.8	-71.1	-178.5	0	0	0	115.5	L690 I711 Q712 S716 E717 M723 A726	L690-L714 HydrophobicContact CD1-CD2 4.42Å; I711-L714 HydrophobicContact CB-CD1 3.76Å; I711-L714 HydrophobicContact CB-CG 4.15Å; I711-L714 HydrophobicContact CG2-CD1 4.11Å; I711-L714 WeakPolarHBondContact O-CB 3.22Å; I711-L714 VanDerWaalsContact O-CG 3.27Å; I711-L714 WeakPolarHBondContact O-CG 3.44Å; I711-L714 PolarHBondContact O-N 2.97Å; Q712-L714 VanDerWaalsContact C-N 3.31Å; Q712-L714 PolarHBondContact O-N 2.77Å; L714-S716 PolarHBondContact O-N 2.88Å; L714-S716 VanDerWaalsContact O-N 3.08Å; L714-E717 WeakPolarHBondContact O-CB 3.41Å; L714-E717 PolarHBondContact O-N 3.44Å; L714-M723 HydrophobicContact CB-CE 4.25Å; L714-M723 HydrophobicContact CD2-CE 4.27Å; L714-M723 WeakPolarHBondContact O-CE 3.18Å; L714-A726 HydrophobicContact CD1-CB 3.92Å; L714-A726 HydrophobicContact CD2-CB 3.96Å
715	P	94.6	Very high	95	Very high	18 Å²	18	22.9 Å²	22.9	12%	0.117	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-56.8	-23.2	174.2	-27.1	36.9	0	0	0	114.9	Q712 Y713 K753 T756 K760	Q712-P715 VanDerWaalsContact O-CD 3.23Å; Q712-P715 WeakPolarHBondContact O-CD 3.35Å; Y713-P715 VanDerWaalsContact C-N 3.3Å; Y713-P715 WeakPolarHBondContact O-CD 3.26Å; Y713-P715 VanDerWaalsContact O-N 3.1Å; P715-K753 HydrophobicContact CG-CB 4.16Å; P715-K753 HydrophobicContact CG-CD 3.69Å; P715-T756 HydrophobicContact CB-CG2 4.15Å; P715-K760 PolarHBondContact O-NZ 3.13Å
716	S	93.9	Very high	95.2	Very high	68 Å²	68	19.9 Å²	19.9	48%	0.476	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-95.7	-7.9	178.3	-59.8	0	0	0	0	113.5	Y713 L714	Y713-S716 WeakPolarHBondContact O-CA 3.24Å; Y713-S716 WeakPolarHBondContact O-CB 3.5Å; Y713-S716 PolarHBondContact O-N 3.47Å; L714-S716 PolarHBondContact O-N 2.88Å; L714-S716 VanDerWaalsContact O-N 3.08Å
717	E	95.2	Very high	95.3	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.019	11%	0.108	C	C	.	.			trans	-75.7	134.1	179.6	-179.1	62.3	-95.7	0	0	111.3	R686 Y713 L714 H719 P722 M723	R686-E717 IonicContact CZ-OE1 3.81Å; R686-E717 IonicContact CZ-OE2 3.86Å; R686-E717 IonicContact NE-OE1 3.26Å; R686-E717 IonicContact NE-OE2 2.67Å; R686-E717 PolarHBondContact NE-OE2 3.46Å; R686-E717 IonicContact NH2-OE1 3.26Å; R686-E717 PolarHBondContact NH2-OE1 3.45Å; R686-E717 IonicContact NH2-OE2 3.64Å; R686-E717 PolarHBondContact NH2-OE2 3.46Å; Y713-E717 HydrophobicContact CD2-CB 4.44Å; Y713-E717 HydrophobicContact CE2-CB 3.82Å; Y713-E717 HydrophobicContact CE2-CG 4.29Å; Y713-E717 VanDerWaalsContact CE2-OE2 3.25Å; Y713-E717 WeakPolarHBondContact CE2-OE2 3.31Å; Y713-E717 PolarHBondContact OH-OE2 3.36Å; L714-E717 WeakPolarHBondContact O-CB 3.41Å; L714-E717 PolarHBondContact O-N 3.44Å; E717-H719 WeakPolarHBondContact OE1-CB 3.39Å; E717-H719 IonicContact OE1-CG 2.74Å; E717-H719 PolarHBondContact OE1-N 3.45Å; E717-H719 IonicContact OE1-ND1 3.63Å; E717-H719 PolarHBondContact OE1-ND1 2.89Å; E717-P722 HydrophobicContact CG-CB 4.07Å; E717-P722 VanDerWaalsContact OE2-CB 3.22Å; E717-P722 WeakPolarHBondContact OE2-CB 3.49Å; E717-M723 HydrophobicContact CB-CE 3.89Å; E717-M723 HydrophobicContact CG-CB 4.29Å; E717-M723 HydrophobicContact CG-CE 4.21Å
718	T	92.7	Very high	95.3	Very high	83 Å²	83	23.4 Å²	23.4	51%	0.509	12%	0.123	S	C	.	.			trans	-120.8	-11.2	-177.5	57.2	0	0	0	0	113.1	L774	T718-L774 WeakPolarHBondContact O-CD2 3.24Å
719	H	94.9	Very high	95.3	Very high	66 Å²	66	24 Å²	24	31%	0.306	13%	0.126	S	C	.	.			trans	-90.5	143.3	-176.6	-64.9	66.6	0	0	0	111.1	E441 R686 E717 G721 P722 M723	E441-H719 IonicContact OE1-CD2 2.74Å; E441-H719 PolarHBondContact OE1-CD2 3.35Å; E441-H719 IonicContact OE1-CG 3.19Å; R686-H719 PolarHBondContact NH2-ND1 2.92Å; E717-H719 WeakPolarHBondContact OE1-CB 3.39Å; E717-H719 IonicContact OE1-CG 2.74Å; E717-H719 PolarHBondContact OE1-N 3.45Å; E717-H719 IonicContact OE1-ND1 3.63Å; E717-H719 PolarHBondContact OE1-ND1 2.89Å; H719-G721 PolarHBondContact O-N 2.91Å; H719-P722 HydrophobicContact CB-CG 4.33Å; H719-M723 WeakPolarHBondContact O-CB 3.41Å
720	Y	94.5	Very high	95.4	Very high	8 Å²	8	21.6 Å²	21.6	3%	0.031	11%	0.113	C	C	.	.	H	α-helix	trans	-58.8	-49	-179	159.1	-109.3	0	0	0	112.1	P438 L445 A724 L773 E777	P438-Y720 HydrophobicContact CG-CD1 4.08Å; L445-Y720 HydrophobicContact CD1-CD1 4.37Å; L445-Y720 HydrophobicContact CD1-CE1 3.63Å; Y720-A724 HydrophobicContact CD2-CB 4.1Å; Y720-A724 HydrophobicContact CE2-CB 3.81Å; Y720-A724 WeakPolarHBondContact O-CB 3.39Å; Y720-A724 PolarHBondContact O-N 3.1Å; Y720-L773 HydrophobicContact CD2-CB 3.74Å; Y720-L773 HydrophobicContact CE2-CB 4.18Å; Y720-L773 HydrophobicContact CG-CB 3.99Å; Y720-E777 HydrophobicContact CE2-CG 4.16Å
721	G	95.3	Very high	95.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-57.5	-63.6	-172.5	0	0	0	0	0	114.6	E441 H719 M723 A724 L725	E441-G721 WeakPolarHBondContact OE2-CA 3.26Å; E441-G721 PolarHBondContact OE2-N 3.32Å; H719-G721 PolarHBondContact O-N 2.91Å; G721-M723 VanDerWaalsContact C-N 3.32Å; G721-M723 PolarHBondContact O-N 3.12Å; G721-A724 PolarHBondContact O-N 3.2Å; G721-L725 WeakPolarHBondContact O-CB 3.19Å; G721-L725 PolarHBondContact O-N 2.93Å
722	P	96.8	Very high	95.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57	-43.5	179.2	-25.2	33.7	0	0	0	113	S683 R686 L687 L690 E717 H719 L725 A726	S683-P722 VanDerWaalsContact O-CG 3.29Å; S683-P722 WeakPolarHBondContact O-CG 3.15Å; R686-P722 HydrophobicContact CB-CB 4.31Å; R686-P722 HydrophobicContact CB-CG 4.1Å; L687-P722 HydrophobicContact CB-CG 4.15Å; L690-P722 HydrophobicContact CD1-CB 4.01Å; E717-P722 HydrophobicContact CG-CB 4.07Å; E717-P722 VanDerWaalsContact OE2-CB 3.22Å; E717-P722 WeakPolarHBondContact OE2-CB 3.49Å; H719-P722 HydrophobicContact CB-CG 4.33Å; P722-L725 PolarHBondContact O-N 2.79Å; P722-A726 WeakPolarHBondContact O-CB 3.49Å; P722-A726 PolarHBondContact O-N 2.96Å
723	M	97.1	Very high	95.4	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.02	12%	0.119	C	C	.	.	H	α-helix	trans	-65.3	-51.5	-180	-176.6	60.3	65.7	0	0	111.3	L714 E717 H719 G721 L725 A726 L727 V757 L774 V778	L714-M723 HydrophobicContact CB-CE 4.25Å; L714-M723 HydrophobicContact CD2-CE 4.27Å; L714-M723 WeakPolarHBondContact O-CE 3.18Å; E717-M723 HydrophobicContact CB-CE 3.89Å; E717-M723 HydrophobicContact CG-CB 4.29Å; E717-M723 HydrophobicContact CG-CE 4.21Å; H719-M723 WeakPolarHBondContact O-CB 3.41Å; G721-M723 VanDerWaalsContact C-N 3.32Å; G721-M723 PolarHBondContact O-N 3.12Å; M723-L725 VanDerWaalsContact C-N 3.26Å; M723-L725 PolarHBondContact O-N 3.34Å; M723-A726 PolarHBondContact O-N 3.31Å; M723-A726 VanDerWaalsContact O-N 3.17Å; M723-L727 HydrophobicContact CG-CD1 3.75Å; M723-L727 HydrophobicContact CG-CG 4.17Å; M723-L727 WeakPolarHBondContact O-CB 3.15Å; M723-L727 VanDerWaalsContact O-CG 3.28Å; M723-L727 WeakPolarHBondContact O-CG 3.2Å; M723-L727 PolarHBondContact O-N 3.39Å; M723-L727 HydrophobicContact SD-CD1 3.88Å; M723-L727 HydrophobicContact SD-CD2 4.18Å; M723-L727 HydrophobicContact SD-CG 3.85Å; M723-V757 HydrophobicContact CE-CG1 4.3Å; M723-V757 HydrophobicContact CE-CG2 4.02Å; M723-L774 HydrophobicContact CB-CD1 3.53Å; M723-L774 HydrophobicContact CG-CD1 3.54Å; M723-V778 HydrophobicContact CG-CG2 3.86Å; M723-V778 HydrophobicContact SD-CG2 4.49Å
724	A	96.3	Very high	95.4	Very high	7 Å²	7	24 Å²	24	6%	0.058	12%	0.123	C	C	.	.	H	α-helix	trans	-59.6	-38.7	-179.9	0	0	0	0	0	111.7	L445 Y720 G721 R728 E777	L445-A724 HydrophobicContact CD1-CB 4.04Å; Y720-A724 HydrophobicContact CD2-CB 4.1Å; Y720-A724 HydrophobicContact CE2-CB 3.81Å; Y720-A724 WeakPolarHBondContact O-CB 3.39Å; Y720-A724 PolarHBondContact O-N 3.1Å; G721-A724 PolarHBondContact O-N 3.2Å; A724-R728 VanDerWaalsContact O-CB 3.3Å; A724-R728 WeakPolarHBondContact O-CB 3.28Å; A724-R728 PolarHBondContact O-N 3.09Å; A724-E777 HydrophobicContact CB-CG 4.1Å
725	L	96.9	Very high	95.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.5	-52.5	174.1	-177	71.2	0	0	0	111.7	L445 L687 L690 G721 P722 M723 L727 R728 H729	L445-L725 HydrophobicContact CD2-CB 3.65Å; L445-L725 HydrophobicContact CD2-CD1 4.01Å; L445-L725 HydrophobicContact CD2-CG 4.39Å; L687-L725 HydrophobicContact CD2-CD2 3.96Å; L687-L725 HydrophobicContact CG-CB 4.47Å; L687-L725 HydrophobicContact CG-CD2 3.93Å; L687-L725 WeakPolarHBondContact O-CD2 3.43Å; L690-L725 HydrophobicContact CB-CD2 3.98Å; G721-L725 WeakPolarHBondContact O-CB 3.19Å; G721-L725 PolarHBondContact O-N 2.93Å; P722-L725 PolarHBondContact O-N 2.79Å; M723-L725 VanDerWaalsContact C-N 3.26Å; M723-L725 PolarHBondContact O-N 3.34Å; L725-L727 VanDerWaalsContact C-N 3.35Å; L725-L727 PolarHBondContact O-N 3.15Å; L725-R728 WeakPolarHBondContact O-CB 3.46Å; L725-R728 PolarHBondContact O-N 3.46Å; L725-H729 PolarHBondContact O-CD2 2.95Å; L725-H729 VanDerWaalsContact O-CD2 3.29Å; L725-H729 PolarHBondContact O-N 3.19Å; L725-H729 VanDerWaalsContact O-N 3.11Å
726	A	97.3	Very high	95.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.2	-47.2	-178.5	0	0	0	0	0	111.1	L690 F694 L714 P722 M723 R728 H729 L730	L690-A726 HydrophobicContact CD1-CB 4.3Å; F694-A726 HydrophobicContact CE2-CB 4.15Å; L714-A726 HydrophobicContact CD1-CB 3.92Å; L714-A726 HydrophobicContact CD2-CB 3.96Å; P722-A726 WeakPolarHBondContact O-CB 3.49Å; P722-A726 PolarHBondContact O-N 2.96Å; M723-A726 PolarHBondContact O-N 3.31Å; M723-A726 VanDerWaalsContact O-N 3.17Å; A726-R728 VanDerWaalsContact C-N 3.3Å; A726-R728 PolarHBondContact O-N 3.01Å; A726-H729 PolarHBondContact O-N 2.8Å; A726-L730 WeakPolarHBondContact O-CB 3.29Å; A726-L730 VanDerWaalsContact O-CG 3.27Å; A726-L730 WeakPolarHBondContact O-CG 3.48Å; A726-L730 PolarHBondContact O-N 2.66Å
727	L	97.4	Very high	95.4	Very high	9 Å²	9	20.9 Å²	20.9	5%	0.047	10%	0.098	C	C	.	.	H	α-helix	trans	-62.1	-36.2	178.4	-64.7	179.2	0	0	0	112.4	M723 L725 L730 E731 I754 E777 V778 A781	M723-L727 HydrophobicContact CG-CD1 3.75Å; M723-L727 HydrophobicContact CG-CG 4.17Å; M723-L727 WeakPolarHBondContact O-CB 3.15Å; M723-L727 VanDerWaalsContact O-CG 3.28Å; M723-L727 WeakPolarHBondContact O-CG 3.2Å; M723-L727 PolarHBondContact O-N 3.39Å; M723-L727 HydrophobicContact SD-CD1 3.88Å; M723-L727 HydrophobicContact SD-CD2 4.18Å; M723-L727 HydrophobicContact SD-CG 3.85Å; L725-L727 VanDerWaalsContact C-N 3.35Å; L725-L727 PolarHBondContact O-N 3.15Å; L727-L730 HydrophobicContact CD2-CD1 4.43Å; L727-L730 PolarHBondContact O-N 2.83Å; L727-E731 WeakPolarHBondContact O-CB 3.32Å; L727-E731 PolarHBondContact O-N 3.34Å; L727-I754 HydrophobicContact CD2-CD1 3.75Å; L727-I754 HydrophobicContact CD2-CG1 4.29Å; L727-E777 HydrophobicContact CD1-CB 4.21Å; L727-V778 HydrophobicContact CD1-CG2 4.18Å; L727-A781 HydrophobicContact CB-CB 4.36Å; L727-A781 HydrophobicContact CD1-CB 3.88Å; L727-A781 HydrophobicContact CD2-CB 3.71Å; L727-A781 HydrophobicContact CG-CB 4.18Å
728	R	95.6	Very high	95.1	Very high	86 Å²	86	21.9 Å²	21.9	33%	0.325	10%	0.102	S	C	.	.	H	α-helix	trans	-62.8	-45.6	174.4	-176.1	179.7	78	-175.8	5.8	112.3	L445 D453 A724 L725 A726 E731 K732	L445-R728 PolarHBondContact O-NH1 3.36Å; L445-R728 VanDerWaalsContact O-NH1 3.14Å; D453-R728 IonicContact OD2-NH2 2.61Å; D453-R728 PolarHBondContact OD2-NH2 3.04Å; A724-R728 VanDerWaalsContact O-CB 3.3Å; A724-R728 WeakPolarHBondContact O-CB 3.28Å; A724-R728 PolarHBondContact O-N 3.09Å; L725-R728 WeakPolarHBondContact O-CB 3.46Å; L725-R728 PolarHBondContact O-N 3.46Å; A726-R728 VanDerWaalsContact C-N 3.3Å; A726-R728 PolarHBondContact O-N 3.01Å; R728-E731 PolarHBondContact O-N 3.11Å; R728-K732 PolarHBondContact O-N 2.98Å; R728-K732 VanDerWaalsContact O-N 3.12Å
729	H	95.5	Very high	94.9	Very high	13 Å²	13	24.1 Å²	24.1	6%	0.06	10%	0.102	C	C	.	.	H	α-helix	trans	-69	-39.1	177.2	-76.6	-82.9	0	0	0	111.8	D453 F694 L725 A726 E731 K732 W733	D453-H729 IonicContact OD2-CE1 2.67Å; D453-H729 IonicContact OD2-NE2 3.75Å; F694-H729 HydrophobicContact CB-CB 4Å; F694-H729 HydrophobicContact CD1-CB 3.57Å; F694-H729 HydrophobicContact CD2-CB 3.77Å; F694-H729 AromaticContact CD2-CG 3.95Å; F694-H729 HydrophobicContact CE1-CB 3.88Å; F694-H729 HydrophobicContact CE2-CB 4.08Å; F694-H729 HydrophobicContact CG-CB 3.51Å; F694-H729 AromaticContact CG-CG 3.67Å; F694-H729 HydrophobicContact CZ-CB 4.12Å; L725-H729 PolarHBondContact O-CD2 2.95Å; L725-H729 VanDerWaalsContact O-CD2 3.29Å; L725-H729 PolarHBondContact O-N 3.19Å; L725-H729 VanDerWaalsContact O-N 3.11Å; A726-H729 PolarHBondContact O-N 2.8Å; H729-E731 VanDerWaalsContact C-N 3.35Å; H729-E731 PolarHBondContact O-N 2.93Å; H729-K732 WeakPolarHBondContact O-CB 3.39Å; H729-K732 PolarHBondContact O-N 3.4Å; H729-K732 VanDerWaalsContact O-N 3.14Å; H729-W733 PolarHBondContact O-N 3.08Å
730	L	96.3	Very high	94.6	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-63	-38.8	173.8	-71.7	170.2	0	0	0	111.9	F694 I711 A726 L727 K732 W733 R734 I750 W785	F694-L730 HydrophobicContact CE1-CD2 4.26Å; F694-L730 HydrophobicContact CE1-CG 4.42Å; F694-L730 HydrophobicContact CZ-CD2 4.22Å; F694-L730 HydrophobicContact CZ-CG 4.06Å; I711-L730 HydrophobicContact CD1-CD2 4.33Å; A726-L730 WeakPolarHBondContact O-CB 3.29Å; A726-L730 VanDerWaalsContact O-CG 3.27Å; A726-L730 WeakPolarHBondContact O-CG 3.48Å; A726-L730 PolarHBondContact O-N 2.66Å; L727-L730 HydrophobicContact CD2-CD1 4.43Å; L727-L730 PolarHBondContact O-N 2.83Å; L730-K732 VanDerWaalsContact C-N 3.32Å; L730-K732 PolarHBondContact O-N 2.71Å; L730-W733 HydrophobicContact CD2-CE3 4.34Å; L730-W733 PolarHBondContact O-N 3.26Å; L730-R734 WeakPolarHBondContact O-CB 3.48Å; L730-R734 PolarHBondContact O-N 3.06Å; L730-I750 HydrophobicContact CD1-CD1 3.97Å; L730-I750 HydrophobicContact CD2-CD1 3.77Å; L730-I750 HydrophobicContact CD2-CG1 4.45Å; L730-W785 HydrophobicContact CB-CZ2 4.14Å; L730-W785 WeakPolarHBondContact O-CZ2 3.48Å
731	E	95.4	Very high	94.2	Very high	40 Å²	40	29.5 Å²	29.5	19%	0.187	13%	0.13	C	C	.	.	H	α-helix	trans	-63.4	-38.8	172.8	-164.5	-163.6	-166.2	0	0	111.4	L727 R728 H729 R734 R735 L784 R859	L727-E731 WeakPolarHBondContact O-CB 3.32Å; L727-E731 PolarHBondContact O-N 3.34Å; R728-E731 PolarHBondContact O-N 3.11Å; H729-E731 VanDerWaalsContact C-N 3.35Å; H729-E731 PolarHBondContact O-N 2.93Å; E731-R734 WeakPolarHBondContact O-CB 3.34Å; E731-R734 PolarHBondContact O-N 3.25Å; E731-R735 WeakPolarHBondContact O-CG 3.12Å; E731-R735 PolarHBondContact O-N 3.15Å; E731-R735 VanDerWaalsContact O-N 3.12Å; E731-R735 IonicContact OE1-CZ 3.79Å; E731-R735 IonicContact OE1-NE 2.67Å; E731-R735 IonicContact OE1-NH2 3.08Å; E731-R735 PolarHBondContact OE1-NH2 3.45Å; E731-R735 IonicContact OE2-CZ 2.83Å; E731-R735 IonicContact OE2-NH1 3.75Å; E731-R735 IonicContact OE2-NH2 3.84Å; E731-R735 PolarHBondContact OE2-NH2 3.28Å; E731-L784 HydrophobicContact CG-CD1 4.22Å; E731-L784 WeakPolarHBondContact OE1-CD1 3.47Å; E731-R859 IonicContact OE1-NH2 3.72Å; E731-R859 PolarHBondContact OE1-NH2 2.99Å; E731-R859 VanDerWaalsContact OE1-NH2 3.14Å
732	K	94	Very high	93.9	Very high	57 Å²	57	29.7 Å²	29.7	25%	0.248	13%	0.131	C	C	.	.	H	α-helix	trans	-59.6	-49	173.2	-175.7	-171.9	177.5	-171.6	0	110.4	H698 R728 H729 L730 R734 R735 I736	H698-K732 PolarHBondContact CE1-NZ 2.61Å; H698-K732 PolarHBondContact ND1-NZ 3.21Å; H698-K732 VanDerWaalsContact ND1-NZ 3.2Å; R728-K732 PolarHBondContact O-N 2.98Å; R728-K732 VanDerWaalsContact O-N 3.12Å; H729-K732 WeakPolarHBondContact O-CB 3.39Å; H729-K732 PolarHBondContact O-N 3.4Å; H729-K732 VanDerWaalsContact O-N 3.14Å; L730-K732 VanDerWaalsContact C-N 3.32Å; L730-K732 PolarHBondContact O-N 2.71Å; K732-R734 VanDerWaalsContact C-N 3.34Å; K732-R734 PolarHBondContact O-N 3.49Å; K732-R735 PolarHBondContact O-N 3.32Å; K732-I736 HydrophobicContact CD-CD1 4.33Å; K732-I736 HydrophobicContact CG-CD1 3.79Å; K732-I736 WeakPolarHBondContact O-CG1 3.25Å; K732-I736 PolarHBondContact O-N 2.95Å; K732-I736 VanDerWaalsContact O-N 3.1Å
733	W	94.6	Very high	93.6	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-60.3	-42.7	176.8	-73	9.2	0	0	0	111.9	F694 C697 T707 M708 H729 L730 R735 I736 L737 W969	F694-W733 AromaticContact CD1-CE2 3.93Å; F694-W733 HydrophobicContact CD1-CH2 4.05Å; F694-W733 AromaticContact CD1-CZ2 3.6Å; F694-W733 HydrophobicContact CD1-CZ2 3.6Å; F694-W733 HydrophobicContact CE1-CD2 4.42Å; F694-W733 HydrophobicContact CE1-CE3 4.44Å; F694-W733 AromaticContact CE1-CH2 3.93Å; F694-W733 HydrophobicContact CE1-CH2 3.93Å; F694-W733 AromaticContact CE1-CZ2 3.89Å; F694-W733 HydrophobicContact CE1-CZ2 3.89Å; F694-W733 HydrophobicContact CE1-CZ3 4.21Å; C697-W733 VanDerWaalsContact SG-CZ2 3.55Å; T707-W733 HydrophobicContact CG2-CH2 3.87Å; T707-W733 HydrophobicContact CG2-CZ2 4.31Å; M708-W733 HydrophobicContact SD-CH2 4.47Å; M708-W733 HydrophobicContact SD-CZ3 3.79Å; H729-W733 PolarHBondContact O-N 3.08Å; L730-W733 HydrophobicContact CD2-CE3 4.34Å; L730-W733 PolarHBondContact O-N 3.26Å; W733-R735 VanDerWaalsContact C-N 3.25Å; W733-R735 PolarHBondContact O-N 3.08Å; W733-I736 PolarHBondContact O-N 2.69Å; W733-I736 VanDerWaalsContact O-N 3.16Å; W733-L737 HydrophobicContact CB-CD1 4.38Å; W733-L737 WeakPolarHBondContact O-CB 3.37Å; W733-L737 WeakPolarHBondContact O-CG 3.45Å; W733-L737 PolarHBondContact O-N 3.29Å; W733-W969 HydrophobicContact CB-CH2 4.22Å; W733-W969 AromaticContact CD1-CH2 3.65Å; W733-W969 AromaticContact CD2-CH2 3.64Å; W733-W969 HydrophobicContact CD2-CH2 3.64Å; W733-W969 AromaticContact CD2-CZ2 3.7Å; W733-W969 HydrophobicContact CD2-CZ2 3.7Å; W733-W969 AromaticContact CE2-CH2 3.75Å; W733-W969 AromaticContact CE2-CZ2 3.38Å; W733-W969 HydrophobicContact CE3-CH2 4.25Å; W733-W969 HydrophobicContact CE3-CZ2 4.21Å; W733-W969 AromaticContact CG-CH2 3.61Å; W733-W969 HydrophobicContact CG-CH2 3.61Å; W733-W969 HydrophobicContact CG-CZ2 4.11Å; W733-W969 HydrophobicContact CG-CZ3 4.41Å; W733-W969 HydrophobicContact CH2-CZ2 4.18Å; W733-W969 HydrophobicContact CZ2-CH2 4.45Å; W733-W969 AromaticContact CZ2-CZ2 3.66Å; W733-W969 HydrophobicContact CZ2-CZ2 3.66Å; W733-W969 HydrophobicContact CZ3-CZ2 4.42Å; W733-W969 AromaticContact NE1-CH2 3.73Å; W733-W969 AromaticContact NE1-CZ2 3.59Å
734	R	94.9	Very high	93.3	Very high	26 Å²	26	37.2 Å²	37.2	10%	0.098	17%	0.169	C	C	.	.	H	α-helix	trans	-54.1	-41.3	175.1	-165.2	-173.9	68.1	80.9	2.8	112.1	L730 E731 K732 K738 F743 L784 W785	L730-R734 WeakPolarHBondContact O-CB 3.48Å; L730-R734 PolarHBondContact O-N 3.06Å; E731-R734 WeakPolarHBondContact O-CB 3.34Å; E731-R734 PolarHBondContact O-N 3.25Å; K732-R734 VanDerWaalsContact C-N 3.34Å; K732-R734 PolarHBondContact O-N 3.49Å; R734-K738 PolarHBondContact O-N 3.46Å; R734-F743 HydrophobicContact CG-CE2 3.66Å; R734-F743 HydrophobicContact CG-CZ 4.1Å; R734-F743 WeakPolarHBondContact O-CE2 3.49Å; R734-L784 WeakPolarHBondContact CD-O 3.19Å; R734-L784 PolarHBondContact NH1-O 3.33Å; R734-W785 HydrophobicContact CB-CH2 3.64Å; R734-W785 HydrophobicContact CB-CZ2 3.73Å; R734-W785 HydrophobicContact CB-CZ3 4.15Å; R734-W785 HydrophobicContact CG-CD2 4.28Å; R734-W785 HydrophobicContact CG-CE3 3.99Å; R734-W785 HydrophobicContact CG-CH2 3.8Å; R734-W785 HydrophobicContact CG-CZ2 4.06Å; R734-W785 HydrophobicContact CG-CZ3 3.76Å
735	R	94.4	Very high	93	Very high	27 Å²	27	38.8 Å²	38.8	10%	0.102	18%	0.175	C	C	.	.	H	α-helix	trans	-76.3	-30.6	-179.6	-68.4	-178.5	-177.8	152.7	5.5	113.7	E731 K732 W733 K738 Y930	E731-R735 WeakPolarHBondContact O-CG 3.12Å; E731-R735 PolarHBondContact O-N 3.15Å; E731-R735 VanDerWaalsContact O-N 3.12Å; E731-R735 IonicContact OE1-CZ 3.79Å; E731-R735 IonicContact OE1-NE 2.67Å; E731-R735 IonicContact OE1-NH2 3.08Å; E731-R735 PolarHBondContact OE1-NH2 3.45Å; E731-R735 IonicContact OE2-CZ 2.83Å; E731-R735 IonicContact OE2-NH1 3.75Å; E731-R735 IonicContact OE2-NH2 3.84Å; E731-R735 PolarHBondContact OE2-NH2 3.28Å; K732-R735 PolarHBondContact O-N 3.32Å; W733-R735 VanDerWaalsContact C-N 3.25Å; W733-R735 PolarHBondContact O-N 3.08Å; R735-K738 WeakPolarHBondContact O-CD 3.47Å; R735-Y930 HydrophobicContact CB-CD1 3.75Å; R735-Y930 HydrophobicContact CB-CE1 4.13Å; R735-Y930 HydrophobicContact CB-CG 4.02Å; R735-Y930 VanDerWaalsContact CD-CZ 3.4Å; R735-Y930 HydrophobicContact CG-CD1 4.49Å; R735-Y930 HydrophobicContact CG-CE1 4.43Å; R735-Y930 PolarHBondContact NH1-OH 3.15Å
736	I	94.7	Very high	92.8	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-79	-46.8	178.7	-69	169.8	0	0	0	110.5	K732 W733 K738 A932 N966 W969 V970	K732-I736 HydrophobicContact CD-CD1 4.33Å; K732-I736 HydrophobicContact CG-CD1 3.79Å; K732-I736 WeakPolarHBondContact O-CG1 3.25Å; K732-I736 PolarHBondContact O-N 2.95Å; K732-I736 VanDerWaalsContact O-N 3.1Å; W733-I736 PolarHBondContact O-N 2.69Å; W733-I736 VanDerWaalsContact O-N 3.16Å; I736-K738 VanDerWaalsContact C-N 3.28Å; I736-K738 PolarHBondContact O-N 3.36Å; I736-A932 HydrophobicContact CG2-CB 3.78Å; I736-N966 HydrophobicContact CD1-CB 4.41Å; I736-N966 VanDerWaalsContact CD1-OD1 3.28Å; I736-N966 WeakPolarHBondContact CD1-OD1 3.41Å; I736-N966 HydrophobicContact CG2-CB 4.31Å; I736-W969 HydrophobicContact CB-CZ3 4.45Å; I736-W969 HydrophobicContact CG2-CE3 4.03Å; I736-W969 HydrophobicContact CG2-CZ3 3.82Å; I736-V970 HydrophobicContact CG2-CG2 3.41Å; I736-V970 VanDerWaalsContact CG2-CG2 3.41Å
737	L	93.7	Very high	92.6	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	18%	0.179	C	C	.	.	S	Bend	trans	-82.3	3.2	-175.1	-66.3	174.3	0	0	0	114	W733 Y739 S740 F743 L746 W969 V970 L977	W733-L737 HydrophobicContact CB-CD1 4.38Å; W733-L737 WeakPolarHBondContact O-CB 3.37Å; W733-L737 WeakPolarHBondContact O-CG 3.45Å; W733-L737 PolarHBondContact O-N 3.29Å; L737-Y739 PolarHBondContact O-N 2.67Å; L737-S740 WeakPolarHBondContact O-CB 3.38Å; L737-S740 PolarHBondContact O-N 3.16Å; L737-F743 HydrophobicContact CB-CD2 4.35Å; L737-F743 WeakPolarHBondContact O-CB 3.39Å; L737-L746 HydrophobicContact CD1-CD2 3.85Å; L737-W969 HydrophobicContact CD1-CH2 3.8Å; L737-W969 HydrophobicContact CD1-CZ3 4.23Å; L737-W969 HydrophobicContact CD2-CH2 4.14Å; L737-W969 HydrophobicContact CD2-CZ3 3.84Å; L737-W969 HydrophobicContact CG-CH2 3.98Å; L737-W969 HydrophobicContact CG-CZ3 3.87Å; L737-V970 HydrophobicContact CD2-CG1 4.42Å; L737-V970 HydrophobicContact CD2-CG2 3.93Å; L737-L977 HydrophobicContact CD1-CD2 3.75Å
738	K	89.6	Confident	92.3	Very high	24 Å²	24	43.9 Å²	43.9	10%	0.104	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-15.6	-172.4	69.7	-172.9	177.7	-142.3	0	115.9	R734 R735 I736 A889 P892	R734-K738 PolarHBondContact O-N 3.46Å; R735-K738 WeakPolarHBondContact O-CD 3.47Å; I736-K738 VanDerWaalsContact C-N 3.28Å; I736-K738 PolarHBondContact O-N 3.36Å; K738-A889 PolarHBondContact NZ-O 3Å; K738-P892 HydrophobicContact CB-CG 4.43Å
739	Y	87.9	Confident	92.2	Very high	131 Å²	131	39.8 Å²	39.8	51%	0.514	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-2.1	174.9	-55.4	-53.3	0	0	0	113.9	L737 P892	L737-Y739 PolarHBondContact O-N 2.67Å; Y739-P892 HydrophobicContact CE1-CB 4.1Å; Y739-P892 VanDerWaalsContact CE1-O 3.23Å; Y739-P892 WeakPolarHBondContact CE1-O 3.46Å; Y739-P892 PolarHBondContact OH-O 2.94Å
740	S	88.6	Confident	92.1	Very high	18 Å²	18	39.4 Å²	39.4	13%	0.126	18%	0.183	C	C	.	.	S	Bend	trans	-83.5	148.9	-178.7	-179.1	0	0	0	0	111.1	L737 C742 F743 Q974	L737-S740 WeakPolarHBondContact O-CB 3.38Å; L737-S740 PolarHBondContact O-N 3.16Å; S740-C742 PolarHBondContact O-N 3.08Å; S740-C742 PolarHBondContact OG-SG 3.45Å; S740-F743 VanDerWaalsContact O-CB 3.22Å; S740-F743 WeakPolarHBondContact O-CB 3.47Å; S740-F743 PolarHBondContact O-N 3.29Å; S740-F743 VanDerWaalsContact O-N 3.16Å; S740-Q974 PolarHBondContact OG-OE1 3.07Å
741	E	85.4	Confident	92	Very high	169 Å²	169	41 Å²	41	79%	0.79	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-30.8	179.1	-61.8	-176.5	162.7	0	0	112.8	F743	E741-F743 PolarHBondContact O-N 3.11Å
742	C	88.7	Confident	91.9	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.02	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-11.9	-179.9	73.4	0	0	0	0	114.1	S740 L744 M745 L746 Y978	S740-C742 PolarHBondContact O-N 3.08Å; S740-C742 PolarHBondContact OG-SG 3.45Å; C742-L744 PolarHBondContact O-N 2.83Å; C742-M745 PolarHBondContact O-N 3.31Å; C742-L746 VanDerWaalsContact O-CB 3.31Å; C742-L746 WeakPolarHBondContact O-CB 3.13Å; C742-L746 PolarHBondContact O-N 3.21Å; C742-Y978 HydrophobicContact CB-CD2 4.25Å
743	F	91.7	Very high	91.8	Very high	35 Å²	35	40.8 Å²	40.8	15%	0.154	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-47.8	-172.1	179.1	-101.3	0	0	0	113.2	R734 L737 S740 E741 L746 S747 W785	R734-F743 HydrophobicContact CG-CE2 3.66Å; R734-F743 HydrophobicContact CG-CZ 4.1Å; R734-F743 WeakPolarHBondContact O-CE2 3.49Å; L737-F743 HydrophobicContact CB-CD2 4.35Å; L737-F743 WeakPolarHBondContact O-CB 3.39Å; S740-F743 VanDerWaalsContact O-CB 3.22Å; S740-F743 WeakPolarHBondContact O-CB 3.47Å; S740-F743 PolarHBondContact O-N 3.29Å; S740-F743 VanDerWaalsContact O-N 3.16Å; E741-F743 PolarHBondContact O-N 3.11Å; F743-L746 PolarHBondContact O-N 3.26Å; F743-S747 WeakPolarHBondContact O-CB 3.45Å; F743-S747 PolarHBondContact O-N 2.98Å; F743-W785 HydrophobicContact CE2-CZ3 4.34Å
744	L	89.9	Confident	91.7	Very high	128 Å²	128	41.2 Å²	41.2	67%	0.67	19%	0.192	S	C	*	.	H	α-helix	trans	-65.5	-44.9	-175.4	-67.6	175.8	0	0	0	111.3	C742 S747 E748	C742-L744 PolarHBondContact O-N 2.83Å; L744-S747 WeakPolarHBondContact O-CB 3.48Å; L744-S747 PolarHBondContact O-N 3.1Å; L744-E748 PolarHBondContact O-N 3.2Å; L744-E748 VanDerWaalsContact O-N 3.14Å
745	M	89.9	Confident	91.6	Very high	40 Å²	40	42 Å²	42	20%	0.197	20%	0.202	C	C	.	.	H	α-helix	trans	-67.1	-41.3	178	-64.4	-144.9	-52.8	0	0	112.2	C742 S747 E748 F749 Y978 V981 E982 L985	C742-M745 PolarHBondContact O-N 3.31Å; M745-S747 VanDerWaalsContact C-N 3.26Å; M745-S747 PolarHBondContact O-N 3.45Å; M745-E748 PolarHBondContact O-N 2.82Å; M745-F749 PolarHBondContact O-N 3.43Å; M745-Y978 HydrophobicContact CE-CD1 3.97Å; M745-Y978 HydrophobicContact CE-CD2 3.47Å; M745-Y978 VanDerWaalsContact CE-CD2 3.47Å; M745-Y978 HydrophobicContact CE-CE1 3.83Å; M745-Y978 HydrophobicContact CE-CE2 3.3Å; M745-Y978 HydrophobicContact CE-CG 3.8Å; M745-Y978 VanDerWaalsContact CE-CZ 3.49Å; M745-Y978 WeakPolarHBondContact CE-O 3.35Å; M745-Y978 HydrophobicContact CG-CE2 4.31Å; M745-Y978 HydrophobicContact SD-CE2 4.03Å; M745-V981 HydrophobicContact CB-CG1 3.82Å; M745-E982 HydrophobicContact CE-CB 3.67Å; M745-E982 HydrophobicContact CE-CG 4.31Å; M745-L985 HydrophobicContact CB-CD1 4.34Å
746	L	92.6	Very high	91.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.3	-41.3	174.1	-179	65.9	0	0	0	110.8	M708 L737 C742 F743 E748 F749 I750 W785 L977 V981	M708-L746 HydrophobicContact CE-CD1 3.83Å; L737-L746 HydrophobicContact CD1-CD2 3.85Å; C742-L746 VanDerWaalsContact O-CB 3.31Å; C742-L746 WeakPolarHBondContact O-CB 3.13Å; C742-L746 PolarHBondContact O-N 3.21Å; F743-L746 PolarHBondContact O-N 3.26Å; L746-E748 PolarHBondContact O-N 3.07Å; L746-F749 PolarHBondContact O-N 2.77Å; L746-I750 HydrophobicContact CD1-CD1 4.37Å; L746-I750 HydrophobicContact CD1-CG1 4.03Å; L746-I750 HydrophobicContact CG-CG1 4.2Å; L746-I750 VanDerWaalsContact O-CG1 3.26Å; L746-I750 WeakPolarHBondContact O-CG1 3.47Å; L746-I750 PolarHBondContact O-N 2.8Å; L746-W785 HydrophobicContact CD2-CH2 4.12Å; L746-W785 HydrophobicContact CG-CH2 4.29Å; L746-L977 HydrophobicContact CD1-CD1 4.37Å; L746-L977 HydrophobicContact CD2-CD2 4.12Å; L746-V981 HydrophobicContact CD1-CG2 4.2Å
747	S	93.1	Very high	91.3	Very high	12 Å²	12	43.4 Å²	43.4	8%	0.084	21%	0.214	C	C	.	.	H	α-helix	trans	-58.4	-47.6	177	-172.5	0	0	0	0	112.1	F743 L744 M745 F749 I750 K751 W785	F743-S747 WeakPolarHBondContact O-CB 3.45Å; F743-S747 PolarHBondContact O-N 2.98Å; L744-S747 WeakPolarHBondContact O-CB 3.48Å; L744-S747 PolarHBondContact O-N 3.1Å; M745-S747 VanDerWaalsContact C-N 3.26Å; M745-S747 PolarHBondContact O-N 3.45Å; S747-F749 PolarHBondContact O-N 3.34Å; S747-I750 PolarHBondContact O-N 3.24Å; S747-K751 WeakPolarHBondContact O-CB 3.37Å; S747-K751 WeakPolarHBondContact O-CE 3.06Å; S747-K751 WeakPolarHBondContact O-CG 3.39Å; S747-K751 PolarHBondContact O-N 2.75Å; S747-W785 PolarHBondContact OG-O 3.22Å
748	E	92.2	Very high	91.3	Very high	103 Å²	103	44.1 Å²	44.1	48%	0.481	22%	0.217	S	C	.	.	H	α-helix	trans	-60.7	-44.8	176.2	-66.4	-52.8	142.5	0	0	112.4	L744 M745 L746 I750 K751 M752	L744-E748 PolarHBondContact O-N 3.2Å; L744-E748 VanDerWaalsContact O-N 3.14Å; M745-E748 PolarHBondContact O-N 2.82Å; L746-E748 PolarHBondContact O-N 3.07Å; E748-I750 PolarHBondContact O-N 3.23Å; E748-K751 PolarHBondContact O-N 3.11Å; E748-K751 WeakPolarHBondContact OE1-CE 3.17Å; E748-K751 IonicContact OE1-NZ 3.63Å; E748-K751 PolarHBondContact OE1-NZ 3.25Å; E748-K751 WeakPolarHBondContact OE2-CE 3.18Å; E748-K751 IonicContact OE2-NZ 3.61Å; E748-K751 PolarHBondContact OE2-NZ 2.97Å; E748-K751 VanDerWaalsContact OE2-NZ 3.08Å; E748-M752 WeakPolarHBondContact O-CB 3.1Å; E748-M752 PolarHBondContact O-N 3.26Å
749	F	93.1	Very high	91.4	Very high	1 Å²	1	50.8 Å²	50.8	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-60.5	-46.4	177.6	175.7	-95	0	0	0	112.1	M708 I711 M745 L746 S747 M752 K753 W980 V981 L985	M708-F749 HydrophobicContact CE-CD1 4.09Å; M708-F749 HydrophobicContact CE-CE1 3.88Å; I711-F749 HydrophobicContact CD1-CE1 4.05Å; M745-F749 PolarHBondContact O-N 3.43Å; L746-F749 PolarHBondContact O-N 2.77Å; S747-F749 PolarHBondContact O-N 3.34Å; F749-M752 HydrophobicContact CD2-CE 4.08Å; F749-M752 HydrophobicContact CE2-CE 4.29Å; F749-M752 PolarHBondContact O-N 2.8Å; F749-K753 HydrophobicContact CD1-CG 4.48Å; F749-K753 HydrophobicContact CE1-CG 4.02Å; F749-K753 VanDerWaalsContact CE2-CE 3.49Å; F749-K753 HydrophobicContact CE2-CG 4.35Å; F749-K753 HydrophobicContact CZ-CD 4.33Å; F749-K753 VanDerWaalsContact CZ-CE 3.47Å; F749-K753 HydrophobicContact CZ-CG 3.95Å; F749-K753 WeakPolarHBondContact O-CG 3.43Å; F749-K753 PolarHBondContact O-N 2.75Å; F749-K753 VanDerWaalsContact O-N 3.11Å; F749-W980 HydrophobicContact CD2-CZ3 4.41Å; F749-W980 HydrophobicContact CE1-CH2 4.31Å; F749-W980 HydrophobicContact CE1-CZ3 4.02Å; F749-W980 HydrophobicContact CE2-CH2 4.02Å; F749-W980 AromaticContact CE2-CZ3 3.83Å; F749-W980 HydrophobicContact CE2-CZ3 3.83Å; F749-W980 AromaticContact CZ-CH2 3.63Å; F749-W980 HydrophobicContact CZ-CH2 3.63Å; F749-W980 AromaticContact CZ-CZ3 3.62Å; F749-W980 HydrophobicContact CZ-CZ3 3.62Å; F749-V981 HydrophobicContact CB-CG1 3.97Å; F749-L985 HydrophobicContact CB-CD1 4.48Å; F749-L985 HydrophobicContact CB-CD2 4.41Å; F749-L985 HydrophobicContact CB-CG 4.43Å
750	I	94.6	Very high	91.5	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-67.8	-42	-178.9	-64.4	-60.4	0	0	0	111.3	I711 L730 L746 S747 E748 M752 K753 I754 W785	I711-I750 HydrophobicContact CD1-CD1 3.96Å; L730-I750 HydrophobicContact CD1-CD1 3.97Å; L730-I750 HydrophobicContact CD2-CD1 3.77Å; L730-I750 HydrophobicContact CD2-CG1 4.45Å; L746-I750 HydrophobicContact CD1-CD1 4.37Å; L746-I750 HydrophobicContact CD1-CG1 4.03Å; L746-I750 HydrophobicContact CG-CG1 4.2Å; L746-I750 VanDerWaalsContact O-CG1 3.26Å; L746-I750 WeakPolarHBondContact O-CG1 3.47Å; L746-I750 PolarHBondContact O-N 2.8Å; S747-I750 PolarHBondContact O-N 3.24Å; E748-I750 PolarHBondContact O-N 3.23Å; I750-M752 VanDerWaalsContact C-N 3.32Å; I750-M752 PolarHBondContact O-N 3.32Å; I750-K753 PolarHBondContact O-N 3.44Å; I750-I754 HydrophobicContact CG2-CD1 3.47Å; I750-I754 VanDerWaalsContact CG2-CD1 3.47Å; I750-I754 HydrophobicContact CG2-CG1 4.14Å; I750-I754 WeakPolarHBondContact O-CB 3.43Å; I750-I754 WeakPolarHBondContact O-CG1 3.4Å; I750-I754 PolarHBondContact O-N 2.84Å; I750-W785 HydrophobicContact CB-CD2 4.31Å; I750-W785 HydrophobicContact CG1-CH2 4.41Å; I750-W785 HydrophobicContact CG1-CZ2 4.31Å; I750-W785 HydrophobicContact CG2-CD2 3.99Å; I750-W785 HydrophobicContact CG2-CG 4.03Å; I750-W785 HydrophobicContact CG2-CZ2 4.25Å
751	K	94.1	Very high	91.7	Very high	36 Å²	36	50.3 Å²	50.3	16%	0.157	25%	0.248	C	C	.	.	H	α-helix	trans	-56.2	-46.3	173.6	-76.5	-175.8	-71.6	170.3	0	111.8	S747 E748 K753 I754 S755 W785 D787	S747-K751 WeakPolarHBondContact O-CB 3.37Å; S747-K751 WeakPolarHBondContact O-CE 3.06Å; S747-K751 WeakPolarHBondContact O-CG 3.39Å; S747-K751 PolarHBondContact O-N 2.75Å; E748-K751 PolarHBondContact O-N 3.11Å; E748-K751 WeakPolarHBondContact OE1-CE 3.17Å; E748-K751 IonicContact OE1-NZ 3.63Å; E748-K751 PolarHBondContact OE1-NZ 3.25Å; E748-K751 WeakPolarHBondContact OE2-CE 3.18Å; E748-K751 IonicContact OE2-NZ 3.61Å; E748-K751 PolarHBondContact OE2-NZ 2.97Å; E748-K751 VanDerWaalsContact OE2-NZ 3.08Å; K751-K753 VanDerWaalsContact C-N 3.33Å; K751-K753 PolarHBondContact O-N 2.93Å; K751-I754 PolarHBondContact O-N 2.75Å; K751-S755 PolarHBondContact O-N 2.74Å; K751-W785 WeakPolarHBondContact CD-O 3.27Å; K751-W785 HydrophobicContact CG-CB 4.02Å; K751-D787 HydrophobicContact CD-CB 4.19Å; K751-D787 HydrophobicContact CG-CB 4.39Å
752	M	91.6	Very high	92.1	Very high	66 Å²	66	43.5 Å²	43.5	33%	0.325	22%	0.223	S	C	.	.	H	α-helix	trans	-60.1	-39.7	177.4	-178	-170.2	68.9	0	0	112.6	E748 F749 I750 S755	E748-M752 WeakPolarHBondContact O-CB 3.1Å; E748-M752 PolarHBondContact O-N 3.26Å; F749-M752 HydrophobicContact CD2-CE 4.08Å; F749-M752 HydrophobicContact CE2-CE 4.29Å; F749-M752 PolarHBondContact O-N 2.8Å; I750-M752 VanDerWaalsContact C-N 3.32Å; I750-M752 PolarHBondContact O-N 3.32Å; M752-S755 PolarHBondContact O-OG 3.04Å
753	K	91.7	Very high	92.4	Very high	26 Å²	26	45.2 Å²	45.2	11%	0.113	23%	0.229	C	C	.	.	H	α-helix	trans	-74.1	-36.3	179.1	-64.9	-64.4	-179.1	-176.3	0	112.5	P715 F749 I750 K751	P715-K753 HydrophobicContact CG-CB 4.16Å; P715-K753 HydrophobicContact CG-CD 3.69Å; F749-K753 HydrophobicContact CD1-CG 4.48Å; F749-K753 HydrophobicContact CE1-CG 4.02Å; F749-K753 VanDerWaalsContact CE2-CE 3.49Å; F749-K753 HydrophobicContact CE2-CG 4.35Å; F749-K753 HydrophobicContact CZ-CD 4.33Å; F749-K753 VanDerWaalsContact CZ-CE 3.47Å; F749-K753 HydrophobicContact CZ-CG 3.95Å; F749-K753 WeakPolarHBondContact O-CG 3.43Å; F749-K753 PolarHBondContact O-N 2.75Å; F749-K753 VanDerWaalsContact O-N 3.11Å; I750-K753 PolarHBondContact O-N 3.44Å; K751-K753 VanDerWaalsContact C-N 3.33Å; K751-K753 PolarHBondContact O-N 2.93Å
754	I	93.2	Very high	92.4	Very high	10 Å²	10	46.5 Å²	46.5	5%	0.051	24%	0.242	C	C	.	.	H	α-helix	trans	-74.4	-32.8	-178.2	-68.7	176.2	0	0	0	111.8	L727 I750 K751 T756 V757 M758 V778 A781	L727-I754 HydrophobicContact CD2-CD1 3.75Å; L727-I754 HydrophobicContact CD2-CG1 4.29Å; I750-I754 HydrophobicContact CG2-CD1 3.47Å; I750-I754 VanDerWaalsContact CG2-CD1 3.47Å; I750-I754 HydrophobicContact CG2-CG1 4.14Å; I750-I754 WeakPolarHBondContact O-CB 3.43Å; I750-I754 WeakPolarHBondContact O-CG1 3.4Å; I750-I754 PolarHBondContact O-N 2.84Å; K751-I754 PolarHBondContact O-N 2.75Å; I754-T756 VanDerWaalsContact C-N 3.3Å; I754-T756 PolarHBondContact O-N 3.33Å; I754-V757 PolarHBondContact O-N 2.95Å; I754-M758 HydrophobicContact CG2-CG 3.85Å; I754-M758 HydrophobicContact CG2-SD 3.82Å; I754-M758 WeakPolarHBondContact O-CG 3.25Å; I754-M758 PolarHBondContact O-N 3.21Å; I754-V778 HydrophobicContact CG2-CG1 3.92Å; I754-A781 HydrophobicContact CD1-CB 4.02Å
755	S	92.3	Very high	92.4	Very high	44 Å²	44	42 Å²	42	31%	0.308	22%	0.219	S	C	.	.	H	α-helix	trans	-55.7	-41.6	-177.1	65.1	0	0	0	0	113	K751 M752 V757 M758 E759	K751-S755 PolarHBondContact O-N 2.74Å; M752-S755 PolarHBondContact O-OG 3.04Å; S755-V757 VanDerWaalsContact C-N 3.29Å; S755-V757 PolarHBondContact O-N 3.41Å; S755-M758 WeakPolarHBondContact O-CB 3.42Å; S755-M758 PolarHBondContact O-N 3.33Å; S755-E759 PolarHBondContact O-N 2.85Å; S755-E759 VanDerWaalsContact O-N 3.07Å
756	T	91.2	Very high	92.4	Very high	56 Å²	56	44.4 Å²	44.4	34%	0.344	23%	0.233	S	C	.	.	H	α-helix	trans	-60.4	-37	176.5	-50.3	0	0	0	0	112.7	P715 I754	P715-T756 HydrophobicContact CB-CG2 4.15Å; I754-T756 VanDerWaalsContact C-N 3.3Å; I754-T756 PolarHBondContact O-N 3.33Å
757	V	92.9	Very high	92.2	Very high	4 Å²	4	47 Å²	47	2%	0.024	26%	0.259	C	S	.	.	H	α-helix	trans	-75	-39	178	-173.2	0	0	0	0	110.1	M723 I754 S755 E759 K760 V761 V778	M723-V757 HydrophobicContact CE-CG1 4.3Å; M723-V757 HydrophobicContact CE-CG2 4.02Å; I754-V757 PolarHBondContact O-N 2.95Å; S755-V757 VanDerWaalsContact C-N 3.29Å; S755-V757 PolarHBondContact O-N 3.41Å; V757-E759 VanDerWaalsContact C-N 3.33Å; V757-E759 PolarHBondContact O-N 2.97Å; V757-K760 WeakPolarHBondContact O-CB 3.44Å; V757-K760 PolarHBondContact O-N 3.09Å; V757-K760 VanDerWaalsContact O-N 3.1Å; V757-V761 HydrophobicContact CG1-CG1 4.36Å; V757-V761 PolarHBondContact O-N 3.03Å; V757-V761 VanDerWaalsContact O-N 3.07Å; V757-V778 HydrophobicContact CB-CG1 4.18Å; V757-V778 HydrophobicContact CG1-CG1 4.02Å; V757-V778 HydrophobicContact CG1-CG2 3.94Å
758	M	93.4	Very high	92.1	Very high	16 Å²	16	50.7 Å²	50.7	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-59.3	-41.3	177.7	-70.5	169	46.3	0	0	113.1	I754 S755 K760 V761 G762 V778 L779 S782 S790	I754-M758 HydrophobicContact CG2-CG 3.85Å; I754-M758 HydrophobicContact CG2-SD 3.82Å; I754-M758 WeakPolarHBondContact O-CG 3.25Å; I754-M758 PolarHBondContact O-N 3.21Å; S755-M758 WeakPolarHBondContact O-CB 3.42Å; S755-M758 PolarHBondContact O-N 3.33Å; M758-K760 PolarHBondContact O-N 3.37Å; M758-V761 PolarHBondContact O-N 3.08Å; M758-G762 PolarHBondContact O-N 2.9Å; M758-V778 HydrophobicContact CG-CG1 3.71Å; M758-L779 HydrophobicContact CG-CD2 4.21Å; M758-S782 WeakPolarHBondContact SD-CB 3.43Å; M758-S782 PolarHBondContact SD-OG 3.38Å; M758-S790 WeakPolarHBondContact CE-OG 3.04Å
759	E	90.9	Very high	91.9	Very high	165 Å²	165	46.8 Å²	46.8	77%	0.771	26%	0.261	S	S	*	.	H	α-helix	trans	-59.5	-34.4	176.4	-73.3	177.6	-179.1	0	0	112	S755 V757	S755-E759 PolarHBondContact O-N 2.85Å; S755-E759 VanDerWaalsContact O-N 3.07Å; V757-E759 VanDerWaalsContact C-N 3.33Å; V757-E759 PolarHBondContact O-N 2.97Å
760	K	91	Very high	91.7	Very high	128 Å²	128	48.1 Å²	48.1	56%	0.557	27%	0.273	S	S	*	.	H	α-helix	trans	-75.9	-42.3	178.2	-63.2	172.2	-175.6	172	0	112.8	P715 V757 M758	P715-K760 PolarHBondContact O-NZ 3.13Å; V757-K760 WeakPolarHBondContact O-CB 3.44Å; V757-K760 PolarHBondContact O-N 3.09Å; V757-K760 VanDerWaalsContact O-N 3.1Å; M758-K760 PolarHBondContact O-N 3.37Å
761	V	93.2	Very high	91.6	Very high	11 Å²	11	49.8 Å²	49.8	7%	0.067	28%	0.283	C	S	.	.	H	α-helix	trans	-82.7	-26.5	-174	-60	0	0	0	0	113.8	V757 M758 T771 L774 R775 V778	V757-V761 HydrophobicContact CG1-CG1 4.36Å; V757-V761 PolarHBondContact O-N 3.03Å; V757-V761 VanDerWaalsContact O-N 3.07Å; M758-V761 PolarHBondContact O-N 3.08Å; V761-T771 HydrophobicContact CB-CG2 4.5Å; V761-L774 HydrophobicContact CG1-CD2 3.87Å; V761-L774 HydrophobicContact CG1-CG 4.22Å; V761-R775 HydrophobicContact CB-CB 4.3Å; V761-R775 HydrophobicContact CB-CG 4.44Å; V761-R775 HydrophobicContact CG2-CG 4.32Å; V761-R775 PolarHBondContact O-NE 3.29Å; V761-R775 PolarHBondContact O-NH2 2.56Å; V761-V778 HydrophobicContact CG2-CG1 4.4Å
762	G	93.4	Very high	91.5	Very high	25 Å²	25	51.5 Å²	51.5	26%	0.258	29%	0.288	S	S	.	.			trans	68.9	-179.1	179	0	0	0	0	0	115	M758 R775	M758-G762 PolarHBondContact O-N 2.9Å; G762-R775 WeakPolarHBondContact O-CD 3.15Å; G762-R775 PolarHBondContact O-NE 3.48Å
763	W	94	Very high	91.6	Very high	40 Å²	40	48.6 Å²	48.6	15%	0.152	27%	0.274	C	S	.	.	S	Bend	trans	-112.2	8.3	-174.3	-80.5	71.1	0	0	0	114.3	L779 V783 S790 K793 A794 M797 L813 V816	W763-L779 HydrophobicContact CD2-CD1 4.06Å; W763-L779 HydrophobicContact CD2-CD2 4.24Å; W763-L779 HydrophobicContact CE3-CD1 4.27Å; W763-L779 HydrophobicContact CG-CD1 4.33Å; W763-L779 HydrophobicContact CG-CD2 4.49Å; W763-L779 HydrophobicContact CZ2-CD2 3.89Å; W763-V783 HydrophobicContact CH2-CG2 4.44Å; W763-S790 WeakPolarHBondContact CH2-O 3.47Å; W763-K793 HydrophobicContact CD2-CB 3.91Å; W763-K793 HydrophobicContact CD2-CD 3.9Å; W763-K793 HydrophobicContact CE3-CB 3.84Å; W763-K793 HydrophobicContact CG-CD 4.06Å; W763-K793 HydrophobicContact CH2-CB 3.85Å; W763-K793 HydrophobicContact CZ2-CB 3.92Å; W763-K793 HydrophobicContact CZ2-CD 4.09Å; W763-K793 HydrophobicContact CZ3-CB 3.8Å; W763-A794 HydrophobicContact CH2-CB 4.31Å; W763-A794 HydrophobicContact CZ3-CB 4.17Å; W763-M797 HydrophobicContact CE3-SD 3.69Å; W763-M797 HydrophobicContact CZ3-SD 4.23Å; W763-L813 VanDerWaalsContact O-CD1 3.27Å; W763-L813 WeakPolarHBondContact O-CD1 3.46Å; W763-V816 HydrophobicContact CH2-CG1 4.09Å; W763-V816 HydrophobicContact CZ3-CG1 4.07Å
764	S	91.7	Very high	91.8	Very high	61 Å²	61	47.7 Å²	47.7	43%	0.427	27%	0.27	S	S	.	.	S	Bend	trans	-98.8	148.9	176.8	44.2	0	0	0	0	111	D766 R775	S764-D766 WeakPolarHBondContact CB-OD1 3.13Å; S764-D766 PolarHBondContact O-N 2.89Å; S764-D766 PolarHBondContact OG-OD1 2.83Å; S764-R775 WeakPolarHBondContact O-CD 3.35Å; S764-R775 PolarHBondContact O-NE 3.26Å; S764-R775 PolarHBondContact O-NH1 3.32Å; S764-R775 PolarHBondContact O-NH2 2.78Å
765	D	90.4	Very high	91.9	Very high	34 Å²	34	47.6 Å²	47.6	18%	0.182	27%	0.269	C	S	.	.	S	Bend	trans	-88.4	37.4	178.8	-168.9	32.2	0	0	0	113	R772 P810 N812 L813	D765-R772 PolarHBondContact O-NE 3.25Å; D765-R772 IonicContact OD1-CZ 3.47Å; D765-R772 IonicContact OD1-NE 3.81Å; D765-R772 PolarHBondContact OD1-NE 2.92Å; D765-R772 VanDerWaalsContact OD1-NE 3.15Å; D765-R772 IonicContact OD1-NH2 3.83Å; D765-R772 IonicContact OD2-CZ 2.7Å; D765-R772 IonicContact OD2-NE 3.46Å; D765-R772 IonicContact OD2-NH2 3.08Å; D765-R772 PolarHBondContact OD2-NH2 3.14Å; D765-P810 HydrophobicContact CB-CB 3.49Å; D765-P810 VanDerWaalsContact CB-CB 3.49Å; D765-P810 HydrophobicContact CB-CG 3.88Å; D765-P810 WeakPolarHBondContact OD2-CB 3.46Å; D765-N812 PolarHBondContact OD1-ND2 2.96Å; D765-N812 PolarHBondContact OD2-ND2 2.8Å; D765-L813 HydrophobicContact CB-CD1 4.26Å
766	D	90.1	Very high	92.1	Very high	91 Å²	91	46.5 Å²	46.5	49%	0.487	26%	0.261	S	S	.	.			trans	-105.3	-179.3	177.3	69.2	-45.6	0	0	0	111.4	S764 R775	S764-D766 WeakPolarHBondContact CB-OD1 3.13Å; S764-D766 PolarHBondContact O-N 2.89Å; S764-D766 PolarHBondContact OG-OD1 2.83Å; D766-R775 VanDerWaalsContact O-CZ 3.32Å; D766-R775 PolarHBondContact O-NH1 3.01Å; D766-R775 PolarHBondContact O-NH2 3.41Å
767	G	88.8	Confident	92.4	Very high	54 Å²	54	46.6 Å²	46.6	56%	0.557	26%	0.258	S	S	*	.	S	Bend	trans	94.6	-173.2	-178.4	0	0	0	0	0	113.9
768	D	89.8	Confident	92.6	Very high	89 Å²	89	46.5 Å²	46.5	48%	0.476	26%	0.257	S	S	.	.			trans	-73.6	168.2	179.8	73.6	-56	0	0	0	112.1	A770 T771 R772	D768-A770 VanDerWaalsContact C-N 3.3Å; D768-A770 PolarHBondContact O-N 3.1Å; D768-A770 WeakPolarHBondContact OD2-CB 3.48Å; D768-A770 PolarHBondContact OD2-N 2.98Å; D768-T771 PolarHBondContact O-N 3.01Å; D768-T771 WeakPolarHBondContact OD1-CB 3.23Å; D768-T771 PolarHBondContact OD1-N 2.83Å; D768-T771 PolarHBondContact OD1-OG1 2.83Å; D768-R772 WeakPolarHBondContact O-CG 3.19Å; D768-R772 PolarHBondContact O-N 2.83Å
769	V	89.1	Confident	92.8	Very high	22 Å²	22	45.8 Å²	45.8	13%	0.133	25%	0.254	C	S	.	.	H	α-helix	trans	-61.6	-37.7	-174.6	178.9	0	0	0	0	111.9	T254 Q388 W437 R772 L773	T254-V769 HydrophobicContact CG2-CG2 3.54Å; Q388-V769 VanDerWaalsContact NE2-CG1 3.25Å; W437-V769 HydrophobicContact CG-CG1 4.44Å; V769-R772 PolarHBondContact O-N 3.49Å; V769-L773 HydrophobicContact CG1-CD1 4.21Å; V769-L773 WeakPolarHBondContact O-CG 3.34Å; V769-L773 PolarHBondContact O-N 3.41Å; V769-L773 VanDerWaalsContact O-N 3.08Å
770	A	88.1	Confident	93.1	Very high	29 Å²	29	39 Å²	39	24%	0.24	22%	0.222	C	C	.	.	H	α-helix	trans	-66.4	-44.1	-179.8	0	0	0	0	0	111.2	D768 R772 L773 L774	D768-A770 VanDerWaalsContact C-N 3.3Å; D768-A770 PolarHBondContact O-N 3.1Å; D768-A770 WeakPolarHBondContact OD2-CB 3.48Å; D768-A770 PolarHBondContact OD2-N 2.98Å; A770-R772 VanDerWaalsContact C-N 3.35Å; A770-R772 PolarHBondContact O-N 3.31Å; A770-L773 PolarHBondContact O-N 3.19Å; A770-L774 WeakPolarHBondContact O-CB 3.47Å; A770-L774 PolarHBondContact O-N 3.41Å
771	T	92.1	Very high	93.4	Very high	38 Å²	38	33.2 Å²	33.2	23%	0.233	20%	0.199	C	C	.	.	H	α-helix	trans	-63.9	-40.1	175.6	-54.8	0	0	0	0	111.7	V761 D768 L773 L774 R775	V761-T771 HydrophobicContact CB-CG2 4.5Å; D768-T771 PolarHBondContact O-N 3.01Å; D768-T771 WeakPolarHBondContact OD1-CB 3.23Å; D768-T771 PolarHBondContact OD1-N 2.83Å; D768-T771 PolarHBondContact OD1-OG1 2.83Å; T771-L773 PolarHBondContact O-N 2.94Å; T771-L774 PolarHBondContact O-N 3.21Å; T771-R775 VanDerWaalsContact CG2-NH2 3.25Å; T771-R775 WeakPolarHBondContact O-CB 3.23Å; T771-R775 PolarHBondContact O-N 3.27Å
772	R	93.3	Very high	93.6	Very high	72 Å²	72	32.8 Å²	32.8	27%	0.272	20%	0.196	S	C	.	.	H	α-helix	trans	-65.8	-24.1	176.9	-69	-177.2	72.7	-159.6	0.8	113.8	D765 D768 V769 A770 P776 N812	D765-R772 PolarHBondContact O-NE 3.25Å; D765-R772 IonicContact OD1-CZ 3.47Å; D765-R772 IonicContact OD1-NE 3.81Å; D765-R772 PolarHBondContact OD1-NE 2.92Å; D765-R772 VanDerWaalsContact OD1-NE 3.15Å; D765-R772 IonicContact OD1-NH2 3.83Å; D765-R772 IonicContact OD2-CZ 2.7Å; D765-R772 IonicContact OD2-NE 3.46Å; D765-R772 IonicContact OD2-NH2 3.08Å; D765-R772 PolarHBondContact OD2-NH2 3.14Å; D768-R772 WeakPolarHBondContact O-CG 3.19Å; D768-R772 PolarHBondContact O-N 2.83Å; V769-R772 PolarHBondContact O-N 3.49Å; A770-R772 VanDerWaalsContact C-N 3.35Å; A770-R772 PolarHBondContact O-N 3.31Å; R772-P776 WeakPolarHBondContact O-CD 3.41Å; R772-N812 PolarHBondContact NH2-ND2 2.94Å
773	L	93.4	Very high	93.8	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-82.7	-42.1	171.5	-70.7	169.9	0	0	0	112.5	E385 P438 Y720 V769 A770 T771 P776	E385-L773 HydrophobicContact CB-CD2 3.84Å; P438-L773 HydrophobicContact CG-CD1 3.6Å; Y720-L773 HydrophobicContact CD2-CB 3.74Å; Y720-L773 HydrophobicContact CE2-CB 4.18Å; Y720-L773 HydrophobicContact CG-CB 3.99Å; V769-L773 HydrophobicContact CG1-CD1 4.21Å; V769-L773 WeakPolarHBondContact O-CG 3.34Å; V769-L773 PolarHBondContact O-N 3.41Å; V769-L773 VanDerWaalsContact O-N 3.08Å; A770-L773 PolarHBondContact O-N 3.19Å; T771-L773 PolarHBondContact O-N 2.94Å; L773-P776 WeakPolarHBondContact O-CD 3.35Å; L773-P776 WeakPolarHBondContact O-CG 3.4Å
774	L	95	Very high	93.8	Very high	6 Å²	6	30 Å²	30	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-69	-44.5	-178.5	176.8	65.1	0	0	0	112.5	T718 M723 V761 A770 T771 E777 V778	T718-L774 WeakPolarHBondContact O-CD2 3.24Å; M723-L774 HydrophobicContact CB-CD1 3.53Å; M723-L774 HydrophobicContact CG-CD1 3.54Å; V761-L774 HydrophobicContact CG1-CD2 3.87Å; V761-L774 HydrophobicContact CG1-CG 4.22Å; A770-L774 WeakPolarHBondContact O-CB 3.47Å; A770-L774 PolarHBondContact O-N 3.41Å; T771-L774 PolarHBondContact O-N 3.21Å; L774-E777 WeakPolarHBondContact O-CB 3.45Å; L774-E777 PolarHBondContact O-N 2.84Å; L774-V778 HydrophobicContact CD1-CG2 3.8Å; L774-V778 HydrophobicContact CG-CG2 4.03Å; L774-V778 WeakPolarHBondContact O-CG2 3.06Å; L774-V778 PolarHBondContact O-N 2.83Å; L774-V778 VanDerWaalsContact O-N 3.13Å
775	R	96.3	Very high	94	Very high	8 Å²	8	27.4 Å²	27.4	3%	0.03	16%	0.159	C	C	.	.	H	α-helix	trans	-51.8	-54.3	-175.4	-179.4	-178	-58.9	120.5	-8.4	114	V761 G762 S764 D766 T771 E777 V778 L779 L813	V761-R775 HydrophobicContact CB-CB 4.3Å; V761-R775 HydrophobicContact CB-CG 4.44Å; V761-R775 HydrophobicContact CG2-CG 4.32Å; V761-R775 PolarHBondContact O-NE 3.29Å; V761-R775 PolarHBondContact O-NH2 2.56Å; G762-R775 WeakPolarHBondContact O-CD 3.15Å; G762-R775 PolarHBondContact O-NE 3.48Å; S764-R775 WeakPolarHBondContact O-CD 3.35Å; S764-R775 PolarHBondContact O-NE 3.26Å; S764-R775 PolarHBondContact O-NH1 3.32Å; S764-R775 PolarHBondContact O-NH2 2.78Å; D766-R775 VanDerWaalsContact O-CZ 3.32Å; D766-R775 PolarHBondContact O-NH1 3.01Å; D766-R775 PolarHBondContact O-NH2 3.41Å; T771-R775 VanDerWaalsContact CG2-NH2 3.25Å; T771-R775 WeakPolarHBondContact O-CB 3.23Å; T771-R775 PolarHBondContact O-N 3.27Å; R775-E777 VanDerWaalsContact C-N 3.26Å; R775-E777 PolarHBondContact O-N 2.86Å; R775-V778 PolarHBondContact O-N 3.05Å; R775-L779 HydrophobicContact CG-CD1 3.62Å; R775-L779 HydrophobicContact CG-CG 4.04Å; R775-L779 WeakPolarHBondContact O-CB 3.42Å; R775-L779 VanDerWaalsContact O-CG 3.29Å; R775-L779 WeakPolarHBondContact O-CG 3.46Å; R775-L779 PolarHBondContact O-N 3.47Å; R775-L813 HydrophobicContact CG-CD2 4.34Å
776	P	96.4	Very high	94.2	Very high	22 Å²	22	29.5 Å²	29.5	14%	0.143	17%	0.168	C	C	.	.	H	α-helix	trans	-61	-34.4	-178.6	24.4	-35.4	0	0	0	113	R772 L773 L780 N812	R772-P776 WeakPolarHBondContact O-CD 3.41Å; L773-P776 WeakPolarHBondContact O-CD 3.35Å; L773-P776 WeakPolarHBondContact O-CG 3.4Å; P776-L780 WeakPolarHBondContact O-CB 3.28Å; P776-L780 PolarHBondContact O-N 2.82Å; P776-N812 VanDerWaalsContact CB-O 3.31Å; P776-N812 WeakPolarHBondContact CB-O 3.48Å
777	E	96.4	Very high	94.5	Very high	58 Å²	58	26.6 Å²	26.6	27%	0.271	15%	0.153	S	C	.	.	H	α-helix	trans	-64.9	-49.3	177.1	-62	-63.8	153.6	0	0	111.4	Y720 A724 L727 L774 R775 A781	Y720-E777 HydrophobicContact CE2-CG 4.16Å; A724-E777 HydrophobicContact CB-CG 4.1Å; L727-E777 HydrophobicContact CD1-CB 4.21Å; L774-E777 WeakPolarHBondContact O-CB 3.45Å; L774-E777 PolarHBondContact O-N 2.84Å; R775-E777 VanDerWaalsContact C-N 3.26Å; R775-E777 PolarHBondContact O-N 2.86Å; E777-A781 WeakPolarHBondContact O-CB 3.48Å; E777-A781 PolarHBondContact O-N 3.08Å
778	V	97.2	Very high	94.8	Very high	2 Å²	2	30 Å²	30	1%	0.012	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-48.3	-179.3	176.5	0	0	0	0	111.2	M723 L727 I754 V757 M758 V761 L774 R775 A781 S782	M723-V778 HydrophobicContact CG-CG2 3.86Å; M723-V778 HydrophobicContact SD-CG2 4.49Å; L727-V778 HydrophobicContact CD1-CG2 4.18Å; I754-V778 HydrophobicContact CG2-CG1 3.92Å; V757-V778 HydrophobicContact CB-CG1 4.18Å; V757-V778 HydrophobicContact CG1-CG1 4.02Å; V757-V778 HydrophobicContact CG1-CG2 3.94Å; M758-V778 HydrophobicContact CG-CG1 3.71Å; V761-V778 HydrophobicContact CG2-CG1 4.4Å; L774-V778 HydrophobicContact CD1-CG2 3.8Å; L774-V778 HydrophobicContact CG-CG2 4.03Å; L774-V778 WeakPolarHBondContact O-CG2 3.06Å; L774-V778 PolarHBondContact O-N 2.83Å; L774-V778 VanDerWaalsContact O-N 3.13Å; R775-V778 PolarHBondContact O-N 3.05Å; V778-A781 PolarHBondContact O-N 2.93Å; V778-S782 PolarHBondContact O-N 3.28Å
779	L	97.9	Very high	95	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.2	-38.8	-179.2	-63.3	-175.9	0	0	0	111.8	M758 W763 R775 S782 V783 L813 V816	M758-L779 HydrophobicContact CG-CD2 4.21Å; W763-L779 HydrophobicContact CD2-CD1 4.06Å; W763-L779 HydrophobicContact CD2-CD2 4.24Å; W763-L779 HydrophobicContact CE3-CD1 4.27Å; W763-L779 HydrophobicContact CG-CD1 4.33Å; W763-L779 HydrophobicContact CG-CD2 4.49Å; W763-L779 HydrophobicContact CZ2-CD2 3.89Å; R775-L779 HydrophobicContact CG-CD1 3.62Å; R775-L779 HydrophobicContact CG-CG 4.04Å; R775-L779 WeakPolarHBondContact O-CB 3.42Å; R775-L779 VanDerWaalsContact O-CG 3.29Å; R775-L779 WeakPolarHBondContact O-CG 3.46Å; R775-L779 PolarHBondContact O-N 3.47Å; L779-S782 PolarHBondContact O-N 2.98Å; L779-V783 WeakPolarHBondContact O-CG2 3.12Å; L779-V783 PolarHBondContact O-N 3.26Å; L779-L813 HydrophobicContact CD1-CD2 3.91Å; L779-V816 HydrophobicContact CB-CG1 3.7Å; L779-V816 HydrophobicContact CB-CG2 4.01Å
780	L	97.6	Very high	95.4	Very high	22 Å²	22	29.9 Å²	29.9	12%	0.115	16%	0.156	C	C	.	.	H	α-helix	trans	-64.2	-43.5	175.3	-177.2	59.5	0	0	0	110.9	P776 V783 L784 E815 V816 T819	P776-L780 WeakPolarHBondContact O-CB 3.28Å; P776-L780 PolarHBondContact O-N 2.82Å; L780-V783 PolarHBondContact O-N 3.22Å; L780-L784 HydrophobicContact CD1-CD1 4.2Å; L780-L784 HydrophobicContact CD1-CG 4.26Å; L780-L784 HydrophobicContact CD2-CD1 4.45Å; L780-L784 HydrophobicContact CG-CD1 3.8Å; L780-L784 HydrophobicContact CG-CG 4.33Å; L780-L784 WeakPolarHBondContact O-CB 3.04Å; L780-L784 WeakPolarHBondContact O-CG 3.47Å; L780-L784 PolarHBondContact O-N 3.1Å; L780-E815 HydrophobicContact CD1-CG 4.07Å; L780-E815 HydrophobicContact CD2-CG 4.3Å; L780-V816 HydrophobicContact CB-CG2 4.02Å; L780-T819 HydrophobicContact CD1-CG2 4.38Å
781	A	97.4	Very high	95.8	Very high	8 Å²	8	29.4 Å²	29.4	7%	0.066	15%	0.149	C	C	.	.	H	α-helix	trans	-59.4	-47.8	175.9	0	0	0	0	0	111.3	L727 I754 E777 V778 V783 L784 W785	L727-A781 HydrophobicContact CB-CB 4.36Å; L727-A781 HydrophobicContact CD1-CB 3.88Å; L727-A781 HydrophobicContact CD2-CB 3.71Å; L727-A781 HydrophobicContact CG-CB 4.18Å; I754-A781 HydrophobicContact CD1-CB 4.02Å; E777-A781 WeakPolarHBondContact O-CB 3.48Å; E777-A781 PolarHBondContact O-N 3.08Å; V778-A781 PolarHBondContact O-N 2.93Å; A781-V783 VanDerWaalsContact C-N 3.32Å; A781-V783 PolarHBondContact O-N 3.45Å; A781-L784 WeakPolarHBondContact O-CB 3.49Å; A781-L784 PolarHBondContact O-N 3.21Å; A781-W785 PolarHBondContact O-N 2.83Å
782	S	97.1	Very high	96.1	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	16%	0.155	C	C	.	.	H	α-helix	trans	-55.5	-47.2	177.4	-174.7	0	0	0	0	112.7	M758 V778 L779 L784 W785 E786 D787 S790	M758-S782 WeakPolarHBondContact SD-CB 3.43Å; M758-S782 PolarHBondContact SD-OG 3.38Å; V778-S782 PolarHBondContact O-N 3.28Å; L779-S782 PolarHBondContact O-N 2.98Å; S782-L784 VanDerWaalsContact C-N 3.34Å; S782-L784 PolarHBondContact O-N 3.39Å; S782-W785 CarbonylContact O-C 3.57Å; S782-W785 PolarHBondContact O-N 3.31Å; S782-E786 PolarHBondContact O-N 3.37Å; S782-D787 PolarHBondContact O-N 3.26Å; S782-D787 VanDerWaalsContact O-N 3.15Å; S782-D787 VanDerWaalsContact OG-CB 3.22Å; S782-D787 WeakPolarHBondContact OG-CB 3.49Å; S782-S790 PolarHBondContact OG-OG 3.15Å
783	V	97	Very high	96.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-41.9	175.2	164.9	0	0	0	0	111.8	W763 L779 L780 A781 W785 E786 V816 T819 L823	W763-V783 HydrophobicContact CH2-CG2 4.44Å; L779-V783 WeakPolarHBondContact O-CG2 3.12Å; L779-V783 PolarHBondContact O-N 3.26Å; L780-V783 PolarHBondContact O-N 3.22Å; A781-V783 VanDerWaalsContact C-N 3.32Å; A781-V783 PolarHBondContact O-N 3.45Å; V783-W785 VanDerWaalsContact C-N 3.32Å; V783-W785 PolarHBondContact O-N 3.08Å; V783-E786 WeakPolarHBondContact O-CA 3.34Å; V783-E786 PolarHBondContact O-N 2.9Å; V783-V816 HydrophobicContact CG2-CG1 4.02Å; V783-T819 HydrophobicContact CG1-CG2 3.81Å; V783-L823 HydrophobicContact CG1-CD1 3.82Å; V783-L823 VanDerWaalsContact O-CD1 3.26Å; V783-L823 WeakPolarHBondContact O-CD1 3.48Å
784	L	95.8	Very high	96.3	Very high	8 Å²	8	31.4 Å²	31.4	4%	0.042	16%	0.161	C	C	.	.	H	α-helix	trans	-68.9	-28.9	-179.8	-75.4	168.5	0	0	0	113.9	E731 R734 L780 A781 S782 T819	E731-L784 HydrophobicContact CG-CD1 4.22Å; E731-L784 WeakPolarHBondContact OE1-CD1 3.47Å; R734-L784 WeakPolarHBondContact CD-O 3.19Å; R734-L784 PolarHBondContact NH1-O 3.33Å; L780-L784 HydrophobicContact CD1-CD1 4.2Å; L780-L784 HydrophobicContact CD1-CG 4.26Å; L780-L784 HydrophobicContact CD2-CD1 4.45Å; L780-L784 HydrophobicContact CG-CD1 3.8Å; L780-L784 HydrophobicContact CG-CG 4.33Å; L780-L784 WeakPolarHBondContact O-CB 3.04Å; L780-L784 WeakPolarHBondContact O-CG 3.47Å; L780-L784 PolarHBondContact O-N 3.1Å; A781-L784 WeakPolarHBondContact O-CB 3.49Å; A781-L784 PolarHBondContact O-N 3.21Å; S782-L784 VanDerWaalsContact C-N 3.34Å; S782-L784 PolarHBondContact O-N 3.39Å; L784-T819 HydrophobicContact CD2-CG2 4.2Å
785	W	95.3	Very high	96.3	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.019	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	6.4	171.1	-70.2	107.4	0	0	0	112.7	L730 R734 F743 L746 S747 I750 K751 A781 S782 V783	L730-W785 HydrophobicContact CB-CZ2 4.14Å; L730-W785 WeakPolarHBondContact O-CZ2 3.48Å; R734-W785 HydrophobicContact CB-CH2 3.64Å; R734-W785 HydrophobicContact CB-CZ2 3.73Å; R734-W785 HydrophobicContact CB-CZ3 4.15Å; R734-W785 HydrophobicContact CG-CD2 4.28Å; R734-W785 HydrophobicContact CG-CE3 3.99Å; R734-W785 HydrophobicContact CG-CH2 3.8Å; R734-W785 HydrophobicContact CG-CZ2 4.06Å; R734-W785 HydrophobicContact CG-CZ3 3.76Å; F743-W785 HydrophobicContact CE2-CZ3 4.34Å; L746-W785 HydrophobicContact CD2-CH2 4.12Å; L746-W785 HydrophobicContact CG-CH2 4.29Å; S747-W785 PolarHBondContact OG-O 3.22Å; I750-W785 HydrophobicContact CB-CD2 4.31Å; I750-W785 HydrophobicContact CG1-CH2 4.41Å; I750-W785 HydrophobicContact CG1-CZ2 4.31Å; I750-W785 HydrophobicContact CG2-CD2 3.99Å; I750-W785 HydrophobicContact CG2-CG 4.03Å; I750-W785 HydrophobicContact CG2-CZ2 4.25Å; K751-W785 WeakPolarHBondContact CD-O 3.27Å; K751-W785 HydrophobicContact CG-CB 4.02Å; A781-W785 PolarHBondContact O-N 2.83Å; S782-W785 CarbonylContact O-C 3.57Å; S782-W785 PolarHBondContact O-N 3.31Å; V783-W785 VanDerWaalsContact C-N 3.32Å; V783-W785 PolarHBondContact O-N 3.08Å
786	E	94.5	Very high	96.1	Very high	78 Å²	78	36.6 Å²	36.6	36%	0.364	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	39.5	172.4	-49.1	-171.2	173.5	0	0	114.2	S782 V783 I788 I791 K861	S782-E786 PolarHBondContact O-N 3.37Å; V783-E786 WeakPolarHBondContact O-CA 3.34Å; V783-E786 PolarHBondContact O-N 2.9Å; E786-I788 PolarHBondContact O-N 2.8Å; E786-I791 HydrophobicContact CB-CD1 4.36Å; E786-K861 VanDerWaalsContact CD-CE 3.41Å; E786-K861 WeakPolarHBondContact OE1-CE 3.5Å; E786-K861 IonicContact OE1-NZ 3.95Å; E786-K861 PolarHBondContact OE1-NZ 3.46Å; E786-K861 WeakPolarHBondContact OE2-CE 3.34Å; E786-K861 IonicContact OE2-NZ 2.93Å; E786-K861 PolarHBondContact OE2-NZ 3.03Å
787	D	96	Very high	96	Very high	31 Å²	31	37.6 Å²	37.6	17%	0.166	19%	0.19	C	C	.	.			trans	-64.4	126	168.2	176.9	58.7	0	0	0	111.6	K751 S782 S790 I791	K751-D787 HydrophobicContact CD-CB 4.19Å; K751-D787 HydrophobicContact CG-CB 4.39Å; S782-D787 PolarHBondContact O-N 3.26Å; S782-D787 VanDerWaalsContact O-N 3.15Å; S782-D787 VanDerWaalsContact OG-CB 3.22Å; S782-D787 WeakPolarHBondContact OG-CB 3.49Å; D787-S790 PolarHBondContact O-N 2.86Å; D787-S790 WeakPolarHBondContact OD2-CB 3.17Å; D787-S790 PolarHBondContact OD2-N 2.91Å; D787-S790 PolarHBondContact OD2-OG 3.19Å; D787-I791 WeakPolarHBondContact O-CG1 3.41Å; D787-I791 PolarHBondContact O-N 3.06Å
788	I	95	Very high	95.8	Very high	126 Å²	126	35 Å²	35	65%	0.646	18%	0.179	S	C	*	.	H	α-helix	trans	-67.5	-41.9	-171.2	-63.3	171.2	0	0	0	111	E786 I791 T792	E786-I788 PolarHBondContact O-N 2.8Å; I788-I791 PolarHBondContact O-N 3.31Å; I788-T792 WeakPolarHBondContact O-CB 3.38Å; I788-T792 PolarHBondContact O-N 3.49Å; I788-T792 PolarHBondContact O-OG1 2.98Å
789	D	95.3	Very high	95.5	Very high	108 Å²	108	36.7 Å²	36.7	58%	0.578	19%	0.187	S	C	*	.	H	α-helix	trans	-66.8	-40.6	-179.5	-72.9	-18.1	0	0	0	110.9	T792 K793	D789-T792 PolarHBondContact O-N 2.81Å; D789-K793 WeakPolarHBondContact O-CG 3.14Å; D789-K793 PolarHBondContact O-N 3.24Å
790	S	96.8	Very high	95	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-44.8	176.1	-61.3	0	0	0	0	112.6	M758 W763 S782 D787 T792 K793 A794	M758-S790 WeakPolarHBondContact CE-OG 3.04Å; W763-S790 WeakPolarHBondContact CH2-O 3.47Å; S782-S790 PolarHBondContact OG-OG 3.15Å; D787-S790 PolarHBondContact O-N 2.86Å; D787-S790 WeakPolarHBondContact OD2-CB 3.17Å; D787-S790 PolarHBondContact OD2-N 2.91Å; D787-S790 PolarHBondContact OD2-OG 3.19Å; S790-T792 VanDerWaalsContact C-N 3.3Å; S790-T792 PolarHBondContact O-N 2.92Å; S790-K793 PolarHBondContact O-N 2.91Å; S790-A794 WeakPolarHBondContact O-CB 3.28Å; S790-A794 PolarHBondContact O-N 3.08Å
791	I	97.3	Very high	94.4	Very high	19 Å²	19	45.3 Å²	45.3	10%	0.097	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-45.3	174	-73.5	169	0	0	0	109.9	E786 D787 I788 K793 A794 K795 L823	E786-I791 HydrophobicContact CB-CD1 4.36Å; D787-I791 WeakPolarHBondContact O-CG1 3.41Å; D787-I791 PolarHBondContact O-N 3.06Å; I788-I791 PolarHBondContact O-N 3.31Å; I791-K793 PolarHBondContact O-N 2.74Å; I791-A794 PolarHBondContact O-N 3.18Å; I791-K795 HydrophobicContact CG2-CD 4.25Å; I791-K795 HydrophobicContact CG2-CG 4.49Å; I791-K795 VanDerWaalsContact O-CG 3.28Å; I791-K795 WeakPolarHBondContact O-CG 3.39Å; I791-K795 PolarHBondContact O-N 2.91Å; I791-L823 HydrophobicContact CD1-CB 4.2Å; I791-L823 HydrophobicContact CG1-CB 4.5Å
792	T	96.7	Very high	93.8	Very high	60 Å²	60	47.4 Å²	47.4	37%	0.368	23%	0.234	S	C	.	.	H	α-helix	trans	-62.1	-43.6	179.5	-58	0	0	0	0	112.1	I788 D789 S790 K795 N796	I788-T792 WeakPolarHBondContact O-CB 3.38Å; I788-T792 PolarHBondContact O-N 3.49Å; I788-T792 PolarHBondContact O-OG1 2.98Å; D789-T792 PolarHBondContact O-N 2.81Å; S790-T792 VanDerWaalsContact C-N 3.3Å; S790-T792 PolarHBondContact O-N 2.92Å; T792-K795 PolarHBondContact O-N 3.21Å; T792-N796 VanDerWaalsContact O-CG 3.24Å; T792-N796 PolarHBondContact O-N 2.89Å; T792-N796 PolarHBondContact O-ND2 2.83Å
793	K	95.8	Very high	92.9	Very high	97 Å²	97	53.6 Å²	53.6	42%	0.422	26%	0.258	S	S	.	.	H	α-helix	trans	-63	-45.4	175.1	-74.2	174.1	-177.3	172.2	0	111.9	W763 D789 S790 I791 K795 N796 M797	W763-K793 HydrophobicContact CD2-CB 3.91Å; W763-K793 HydrophobicContact CD2-CD 3.9Å; W763-K793 HydrophobicContact CE3-CB 3.84Å; W763-K793 HydrophobicContact CG-CD 4.06Å; W763-K793 HydrophobicContact CH2-CB 3.85Å; W763-K793 HydrophobicContact CZ2-CB 3.92Å; W763-K793 HydrophobicContact CZ2-CD 4.09Å; W763-K793 HydrophobicContact CZ3-CB 3.8Å; D789-K793 WeakPolarHBondContact O-CG 3.14Å; D789-K793 PolarHBondContact O-N 3.24Å; S790-K793 PolarHBondContact O-N 2.91Å; I791-K793 PolarHBondContact O-N 2.74Å; K793-K795 PolarHBondContact O-N 3.19Å; K793-N796 PolarHBondContact O-N 2.82Å; K793-M797 WeakPolarHBondContact O-CG 3.27Å; K793-M797 PolarHBondContact O-N 2.74Å
794	A	96.3	Very high	91.6	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.5	-46.1	176	0	0	0	0	0	112	W763 S790 I791 N796 M797 L798 S821	W763-A794 HydrophobicContact CH2-CB 4.31Å; W763-A794 HydrophobicContact CZ3-CB 4.17Å; S790-A794 WeakPolarHBondContact O-CB 3.28Å; S790-A794 PolarHBondContact O-N 3.08Å; I791-A794 PolarHBondContact O-N 3.18Å; A794-N796 PolarHBondContact O-N 3.44Å; A794-M797 PolarHBondContact O-N 3.33Å; A794-L798 PolarHBondContact O-N 2.92Å; A794-S821 PolarHBondContact O-OG 2.71Å
795	K	94.4	Very high	90	Very high	44 Å²	44	70.1 Å²	70.1	19%	0.191	33%	0.334	C	S	.	.	H	α-helix	trans	-58.6	-46.8	174.6	-67.9	171.1	74.1	178.3	0	112.1	I791 T792 K793 M797 L798 N799 E826 Y829	I791-K795 HydrophobicContact CG2-CD 4.25Å; I791-K795 HydrophobicContact CG2-CG 4.49Å; I791-K795 VanDerWaalsContact O-CG 3.28Å; I791-K795 WeakPolarHBondContact O-CG 3.39Å; I791-K795 PolarHBondContact O-N 2.91Å; T792-K795 PolarHBondContact O-N 3.21Å; K793-K795 PolarHBondContact O-N 3.19Å; K795-M797 VanDerWaalsContact C-N 3.29Å; K795-M797 PolarHBondContact O-N 3.21Å; K795-L798 PolarHBondContact O-N 3.23Å; K795-N799 WeakPolarHBondContact O-CB 3.33Å; K795-N799 PolarHBondContact O-N 3.23Å; K795-N799 PolarHBondContact O-ND2 3.36Å; K795-E826 WeakPolarHBondContact CE-OE1 3.49Å; K795-E826 IonicContact NZ-OE1 3.64Å; K795-E826 PolarHBondContact NZ-OE1 3.23Å; K795-E826 IonicContact NZ-OE2 3Å; K795-E826 PolarHBondContact NZ-OE2 3.15Å; K795-Y829 HydrophobicContact CD-CE2 4.42Å; K795-Y829 HydrophobicContact CG-CE2 4.1Å
796	N	92.9	Very high	88.2	Confident	80 Å²	80	71.1 Å²	71.1	43%	0.428	35%	0.345	S	S	.	.	H	α-helix	trans	-61.7	-39.5	-178.7	-72.5	-17	0	0	0	111.5	T792 K793 A794 N799 Q800	T792-N796 VanDerWaalsContact O-CG 3.24Å; T792-N796 PolarHBondContact O-N 2.89Å; T792-N796 PolarHBondContact O-ND2 2.83Å; K793-N796 PolarHBondContact O-N 2.82Å; A794-N796 PolarHBondContact O-N 3.44Å; N796-N799 PolarHBondContact O-N 3.45Å; N796-Q800 WeakPolarHBondContact O-CB 3.4Å; N796-Q800 VanDerWaalsContact O-CG 3.26Å; N796-Q800 WeakPolarHBondContact O-CG 3.3Å; N796-Q800 PolarHBondContact O-N 2.85Å
797	M	93.1	Very high	86.9	Confident	42 Å²	42	73.7 Å²	73.7	21%	0.207	37%	0.367	C	S	.	.	H	α-helix	trans	-64.4	-42.5	174.2	-67.4	-176.4	76.4	0	0	112.3	W763 K793 A794 K795 Q800 Y801 L813 V817	W763-M797 HydrophobicContact CE3-SD 3.69Å; W763-M797 HydrophobicContact CZ3-SD 4.23Å; K793-M797 WeakPolarHBondContact O-CG 3.27Å; K793-M797 PolarHBondContact O-N 2.74Å; A794-M797 PolarHBondContact O-N 3.33Å; K795-M797 VanDerWaalsContact C-N 3.29Å; K795-M797 PolarHBondContact O-N 3.21Å; M797-Q800 PolarHBondContact O-N 2.95Å; M797-Y801 PolarHBondContact O-N 3.35Å; M797-L813 HydrophobicContact CE-CD1 3.83Å; M797-V817 HydrophobicContact CB-CG1 4.32Å; M797-V817 HydrophobicContact CB-CG2 3.98Å; M797-V817 HydrophobicContact CE-CG2 4.22Å; M797-V817 HydrophobicContact SD-CG2 3.89Å
798	L	92.4	Very high	86.2	Confident	5 Å²	5	75.7 Å²	75.7	3%	0.026	39%	0.387	C	S	.	.	H	α-helix	trans	-67	-41.4	176.3	-172	58.2	0	0	0	111.6	A794 K795 Q800 Y801 L802 I809 V817 Y818 S821 Y829	A794-L798 PolarHBondContact O-N 2.92Å; K795-L798 PolarHBondContact O-N 3.23Å; L798-Q800 VanDerWaalsContact C-N 3.34Å; L798-Q800 PolarHBondContact O-N 2.9Å; L798-Y801 HydrophobicContact CD1-CD1 4.37Å; L798-Y801 WeakPolarHBondContact O-CB 3.24Å; L798-Y801 PolarHBondContact O-N 2.91Å; L798-L802 HydrophobicContact CD1-CD1 4.43Å; L798-L802 HydrophobicContact CD1-CG 4.39Å; L798-L802 HydrophobicContact CG-CD1 3.92Å; L798-L802 HydrophobicContact CG-CG 4.33Å; L798-L802 VanDerWaalsContact O-CG 3.27Å; L798-L802 WeakPolarHBondContact O-CG 3.4Å; L798-L802 PolarHBondContact O-N 3.41Å; L798-I809 HydrophobicContact CD1-CD1 3.8Å; L798-V817 HydrophobicContact CB-CG1 3.75Å; L798-V817 HydrophobicContact CD1-CG1 4.39Å; L798-Y818 HydrophobicContact CD1-CE1 4.49Å; L798-S821 WeakPolarHBondContact CB-OG 3.45Å; L798-S821 VanDerWaalsContact CD2-CB 3.46Å; L798-S821 WeakPolarHBondContact CD2-OG 3.43Å; L798-Y829 HydrophobicContact CD2-CD1 3.59Å; L798-Y829 HydrophobicContact CD2-CE1 4.36Å; L798-Y829 HydrophobicContact CD2-CG 4.24Å; L798-Y829 HydrophobicContact CG-CD1 4.25Å
799	N	90.8	Very high	85.9	Confident	36 Å²	36	70.2 Å²	70.2	19%	0.193	36%	0.36	C	S	.	.	H	α-helix	trans	-59.4	-43	174.9	-78.7	-22.2	0	0	0	112.1	K795 N796 Y801 L802 Y803 Y829	K795-N799 WeakPolarHBondContact O-CB 3.33Å; K795-N799 PolarHBondContact O-N 3.23Å; K795-N799 PolarHBondContact O-ND2 3.36Å; N796-N799 PolarHBondContact O-N 3.45Å; N799-Y801 VanDerWaalsContact C-N 3.29Å; N799-Y801 PolarHBondContact O-N 3.43Å; N799-L802 PolarHBondContact O-N 3.19Å; N799-Y803 HydrophobicContact CB-CD2 4.21Å; N799-Y803 WeakPolarHBondContact O-CD2 3.27Å; N799-Y803 PolarHBondContact O-N 2.92Å; N799-Y829 PolarHBondContact ND2-OH 2.96Å; N799-Y829 WeakPolarHBondContact OD1-CE1 3.42Å; N799-Y829 PolarHBondContact OD1-OH 2.79Å
800	Q	87.5	Confident	85.8	Confident	117 Å²	117	66.9 Å²	66.9	55%	0.547	34%	0.344	S	S	.	.	H	α-helix	trans	-58.1	-43.9	176.3	-78.2	174.2	2.4	0	0	111.5	N796 M797 L798 Y804	N796-Q800 WeakPolarHBondContact O-CB 3.4Å; N796-Q800 VanDerWaalsContact O-CG 3.26Å; N796-Q800 WeakPolarHBondContact O-CG 3.3Å; N796-Q800 PolarHBondContact O-N 2.85Å; M797-Q800 PolarHBondContact O-N 2.95Å; L798-Q800 VanDerWaalsContact C-N 3.34Å; L798-Q800 PolarHBondContact O-N 2.9Å; Q800-Y804 PolarHBondContact O-N 3.31Å
801	Y	85.5	Confident	85.5	Confident	86 Å²	86	67.3 Å²	67.3	34%	0.337	35%	0.347	S	S	.	.	H	α-helix	trans	-63.2	-46.5	174.9	175.9	-106.3	0	0	0	112.3	M797 L798 N799 G806 I809	M797-Y801 PolarHBondContact O-N 3.35Å; L798-Y801 HydrophobicContact CD1-CD1 4.37Å; L798-Y801 WeakPolarHBondContact O-CB 3.24Å; L798-Y801 PolarHBondContact O-N 2.91Å; N799-Y801 VanDerWaalsContact C-N 3.29Å; N799-Y801 PolarHBondContact O-N 3.43Å; Y801-G806 PolarHBondContact O-N 3.29Å; Y801-I809 HydrophobicContact CD1-CD1 4.41Å; Y801-I809 HydrophobicContact CG-CD1 4.39Å; Y801-I809 HydrophobicContact CG-CG1 4.28Å
802	L	84.6	Confident	85.4	Confident	52 Å²	52	66.8 Å²	66.8	27%	0.272	34%	0.344	S	S	.	.	H	α-helix	trans	-70	-44.6	-174.8	-69.3	170.6	0	0	0	113.9	L798 N799 Y829 H832	L798-L802 HydrophobicContact CD1-CD1 4.43Å; L798-L802 HydrophobicContact CD1-CG 4.39Å; L798-L802 HydrophobicContact CG-CD1 3.92Å; L798-L802 HydrophobicContact CG-CG 4.33Å; L798-L802 VanDerWaalsContact O-CG 3.27Å; L798-L802 WeakPolarHBondContact O-CG 3.4Å; L798-L802 PolarHBondContact O-N 3.41Å; N799-L802 PolarHBondContact O-N 3.19Å; L802-Y829 HydrophobicContact CD1-CD1 4.46Å; L802-Y829 HydrophobicContact CD1-CE1 4.49Å; L802-H832 WeakPolarHBondContact CD1-CD2 3.3Å; L802-H832 HydrophobicContact CD2-CB 4.27Å
803	Y	77.9	Confident	85.3	Confident	132 Å²	132	64 Å²	64	52%	0.518	33%	0.327	S	S	.	.	H	α-helix	trans	-103.9	-20.8	-165.7	-65	-69.7	0	0	0	114.9	N799 I828	N799-Y803 HydrophobicContact CB-CD2 4.21Å; N799-Y803 WeakPolarHBondContact O-CD2 3.27Å; N799-Y803 PolarHBondContact O-N 2.92Å; Y803-I828 WeakPolarHBondContact OH-CD1 3.46Å
804	Y	70.7	Confident	85.3	Confident	184 Å²	184	61.4 Å²	61.4	72%	0.722	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	23.9	-172.7	-62.1	-85.8	0	0	0	113.1	Q800 G806	Q800-Y804 PolarHBondContact O-N 3.31Å; Y804-G806 PolarHBondContact O-N 3Å; Y804-G806 VanDerWaalsContact O-N 3.13Å
805	N	60.5	Low	85.3	Confident	171 Å²	171	62.2 Å²	62.2	91%	0.914	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	39.4	-173.5	-136.7	13.7	0	0	0	110.6
806	G	59.1	Low	85.4	Confident	25 Å²	25	60.2 Å²	60.2	26%	0.258	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-73.9	163.7	-155.4	0	0	0	0	0	114.2	Y801 Y804	Y801-G806 PolarHBondContact O-N 3.29Å; Y804-G806 PolarHBondContact O-N 3Å; Y804-G806 VanDerWaalsContact O-N 3.13Å
807	T	66.5	Low	85.6	Confident	133 Å²	133	56.4 Å²	56.4	82%	0.816	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-52.9	137	171.6	42.4	0	0	0	0	110.8	I809	T807-I809 PolarHBondContact O-N 3.43Å
808	A	80.7	Confident	85.9	Confident	72 Å²	72	55 Å²	55	60%	0.595	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-56.4	139.6	-178.9	0	0	0	0	0	111.3	P810	A808-P810 WeakPolarHBondContact O-CD 3.36Å
809	I	90	Very high	86.1	Confident	12 Å²	12	54.8 Å²	54.8	6%	0.062	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-59.9	122.7	176.4	-59.1	164.6	0	0	0	108.5	L798 Y801 T807 L813 R814 V817 Y818	L798-I809 HydrophobicContact CD1-CD1 3.8Å; Y801-I809 HydrophobicContact CD1-CD1 4.41Å; Y801-I809 HydrophobicContact CG-CD1 4.39Å; Y801-I809 HydrophobicContact CG-CG1 4.28Å; T807-I809 PolarHBondContact O-N 3.43Å; I809-L813 HydrophobicContact CG2-CB 4.46Å; I809-R814 HydrophobicContact CB-CG 4.23Å; I809-R814 HydrophobicContact CG2-CB 4.47Å; I809-R814 HydrophobicContact CG2-CG 3.9Å; I809-R814 PolarHBondContact O-NE 3.41Å; I809-V817 HydrophobicContact CD1-CB 4.48Å; I809-V817 HydrophobicContact CD1-CG1 3.77Å; I809-V817 HydrophobicContact CG2-CB 4.25Å; I809-V817 HydrophobicContact CG2-CG2 4.06Å; I809-Y818 HydrophobicContact CD1-CE1 3.86Å
810	P	91.9	Very high	86.4	Confident	38 Å²	38	53.1 Å²	53.1	25%	0.247	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-56.3	139.6	-179.4	-26.3	34.3	0	0	0	111.6	D765 A808 N812 L813 R814	D765-P810 HydrophobicContact CB-CB 3.49Å; D765-P810 VanDerWaalsContact CB-CB 3.49Å; D765-P810 HydrophobicContact CB-CG 3.88Å; D765-P810 WeakPolarHBondContact OD2-CB 3.46Å; A808-P810 WeakPolarHBondContact O-CD 3.36Å; P810-N812 VanDerWaalsContact C-N 3.26Å; P810-N812 PolarHBondContact O-N 3.46Å; P810-N812 VanDerWaalsContact O-N 3.14Å; P810-L813 HydrophobicContact CG-CD1 4.39Å; P810-L813 PolarHBondContact O-N 3.23Å; P810-R814 PolarHBondContact O-N 3.47Å
811	P	92.1	Very high	86.9	Confident	9 Å²	9	47.5 Å²	47.5	6%	0.058	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-51.1	-42.1	-175	-25.3	30.3	0	0	0	114.4	S380 S381 I382 T383 L813 R814	S380-P811 WeakPolarHBondContact O-CG 3.41Å; S381-P811 VanDerWaalsContact C-CG 3.43Å; S381-P811 WeakPolarHBondContact O-CG 3.36Å; I382-P811 WeakPolarHBondContact O-CB 3.35Å; I382-P811 WeakPolarHBondContact O-CG 3.39Å; T383-P811 HydrophobicContact CG2-CB 4.2Å; P811-L813 PolarHBondContact O-N 2.73Å; P811-R814 PolarHBondContact O-N 3Å
812	N	94.1	Very high	87.5	Confident	7 Å²	7	43.5 Å²	43.5	4%	0.037	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-62.4	-31.8	179.1	-70.6	-32.5	0	0	0	112.2	T383 S384 D765 R772 P776 P810	T383-N812 WeakPolarHBondContact CA-OD1 3.36Å; T383-N812 WeakPolarHBondContact CB-OD1 3.48Å; S384-N812 PolarHBondContact N-OD1 3.33Å; S384-N812 PolarHBondContact OG-ND2 3.09Å; S384-N812 VanDerWaalsContact OG-ND2 3.09Å; D765-N812 PolarHBondContact OD1-ND2 2.96Å; D765-N812 PolarHBondContact OD2-ND2 2.8Å; R772-N812 PolarHBondContact NH2-ND2 2.94Å; P776-N812 VanDerWaalsContact CB-O 3.31Å; P776-N812 WeakPolarHBondContact CB-O 3.48Å; P810-N812 VanDerWaalsContact C-N 3.26Å; P810-N812 PolarHBondContact O-N 3.46Å; P810-N812 VanDerWaalsContact O-N 3.14Å
813	L	95.5	Very high	88	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.01	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-96.5	-8.7	-174.5	-58.7	-179.4	0	0	0	113.7	W763 D765 R775 L779 M797 I809 P810 P811 E815 V816 V817	W763-L813 VanDerWaalsContact O-CD1 3.27Å; W763-L813 WeakPolarHBondContact O-CD1 3.46Å; D765-L813 HydrophobicContact CB-CD1 4.26Å; R775-L813 HydrophobicContact CG-CD2 4.34Å; L779-L813 HydrophobicContact CD1-CD2 3.91Å; M797-L813 HydrophobicContact CE-CD1 3.83Å; I809-L813 HydrophobicContact CG2-CB 4.46Å; P810-L813 HydrophobicContact CG-CD1 4.39Å; P810-L813 PolarHBondContact O-N 3.23Å; P811-L813 PolarHBondContact O-N 2.73Å; L813-E815 PolarHBondContact O-N 3.36Å; L813-V816 WeakPolarHBondContact O-CB 3.03Å; L813-V816 PolarHBondContact O-N 3.41Å; L813-V817 HydrophobicContact CB-CG2 4.43Å; L813-V817 WeakPolarHBondContact O-CB 3.33Å; L813-V817 VanDerWaalsContact O-CG2 3.32Å; L813-V817 WeakPolarHBondContact O-CG2 3.2Å; L813-V817 PolarHBondContact O-N 3.06Å
814	R	94.6	Very high	88.8	Confident	42 Å²	42	37 Å²	37	16%	0.158	21%	0.206	C	C	.	.	H	α-helix	trans	-52.8	-52.8	-176.1	-74.6	-179.1	-168.1	145.8	0.7	112.9	S381 I809 P810 P811 V816 V817 Y818	S381-R814 PolarHBondContact O-NH1 2.89Å; I809-R814 HydrophobicContact CB-CG 4.23Å; I809-R814 HydrophobicContact CG2-CB 4.47Å; I809-R814 HydrophobicContact CG2-CG 3.9Å; I809-R814 PolarHBondContact O-NE 3.41Å; P810-R814 PolarHBondContact O-N 3.47Å; P811-R814 PolarHBondContact O-N 3Å; R814-V816 VanDerWaalsContact C-N 3.35Å; R814-V816 PolarHBondContact O-N 3.3Å; R814-V817 PolarHBondContact O-N 3.01Å; R814-Y818 HydrophobicContact CB-CD2 4.31Å; R814-Y818 HydrophobicContact CB-CE2 3.76Å; R814-Y818 HydrophobicContact CG-CE2 4.35Å; R814-Y818 WeakPolarHBondContact O-CB 3.29Å; R814-Y818 WeakPolarHBondContact O-CD2 3.37Å; R814-Y818 PolarHBondContact O-N 3.23Å
815	E	95.9	Very high	89.9	Confident	18 Å²	18	30.4 Å²	30.4	8%	0.084	20%	0.195	C	C	.	.	H	α-helix	trans	-64.3	-40	-178	-173.6	174.9	172.5	0	0	112.7	L780 L813 T819 Q852 R855 R859	L780-E815 HydrophobicContact CD1-CG 4.07Å; L780-E815 HydrophobicContact CD2-CG 4.3Å; L813-E815 PolarHBondContact O-N 3.36Å; E815-T819 WeakPolarHBondContact O-CB 3.48Å; E815-T819 PolarHBondContact O-N 3.4Å; E815-T819 PolarHBondContact O-OG1 3.49Å; E815-Q852 HydrophobicContact CB-CB 4.16Å; E815-Q852 HydrophobicContact CB-CG 3.94Å; E815-Q852 HydrophobicContact CG-CB 4.41Å; E815-Q852 HydrophobicContact CG-CG 4.39Å; E815-R855 IonicContact OE1-CZ 3.14Å; E815-R855 IonicContact OE1-NE 3.99Å; E815-R855 IonicContact OE1-NH1 3.4Å; E815-R855 PolarHBondContact OE1-NH1 2.98Å; E815-R855 IonicContact OE1-NH2 3.41Å; E815-R855 IonicContact OE2-CZ 3.15Å; E815-R855 IonicContact OE2-NE 2.98Å; E815-R855 IonicContact OE2-NH1 2.79Å; E815-R855 PolarHBondContact OE2-NH1 3.22Å; E815-R855 IonicContact OE2-NH2 3.79Å; E815-R855 PolarHBondContact OE2-NH2 3.23Å; E815-R859 IonicContact OE1-NH1 3.39Å; E815-R859 PolarHBondContact OE1-NH1 2.94Å; E815-R859 IonicContact OE1-NH2 3.95Å
816	V	97.7	Very high	91.5	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.012	17%	0.168	C	C	.	.	H	α-helix	trans	-59.6	-50.4	176.7	-179	0	0	0	0	109.6	W763 L779 L780 V783 L813 R814 T819 G820	W763-V816 HydrophobicContact CH2-CG1 4.09Å; W763-V816 HydrophobicContact CZ3-CG1 4.07Å; L779-V816 HydrophobicContact CB-CG1 3.7Å; L779-V816 HydrophobicContact CB-CG2 4.01Å; L780-V816 HydrophobicContact CB-CG2 4.02Å; V783-V816 HydrophobicContact CG2-CG1 4.02Å; L813-V816 WeakPolarHBondContact O-CB 3.03Å; L813-V816 PolarHBondContact O-N 3.41Å; R814-V816 VanDerWaalsContact C-N 3.35Å; R814-V816 PolarHBondContact O-N 3.3Å; V816-T819 PolarHBondContact O-N 2.95Å; V816-G820 PolarHBondContact O-N 3.27Å
817	V	97.4	Very high	93.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.7	-47.6	-177.6	171.6	0	0	0	0	111.4	M797 L798 I809 L813 R814 S821	M797-V817 HydrophobicContact CB-CG1 4.32Å; M797-V817 HydrophobicContact CB-CG2 3.98Å; M797-V817 HydrophobicContact CE-CG2 4.22Å; M797-V817 HydrophobicContact SD-CG2 3.89Å; L798-V817 HydrophobicContact CB-CG1 3.75Å; L798-V817 HydrophobicContact CD1-CG1 4.39Å; I809-V817 HydrophobicContact CD1-CB 4.48Å; I809-V817 HydrophobicContact CD1-CG1 3.77Å; I809-V817 HydrophobicContact CG2-CB 4.25Å; I809-V817 HydrophobicContact CG2-CG2 4.06Å; L813-V817 HydrophobicContact CB-CG2 4.43Å; L813-V817 WeakPolarHBondContact O-CB 3.33Å; L813-V817 VanDerWaalsContact O-CG2 3.32Å; L813-V817 WeakPolarHBondContact O-CG2 3.2Å; L813-V817 PolarHBondContact O-N 3.06Å; R814-V817 PolarHBondContact O-N 3.01Å; V817-S821 VanDerWaalsContact O-CB 3.25Å; V817-S821 WeakPolarHBondContact O-CB 3.32Å; V817-S821 PolarHBondContact O-N 3.28Å; V817-S821 PolarHBondContact O-OG 3.43Å
818	Y	97.7	Very high	94.4	Very high	13 Å²	13	27.2 Å²	27.2	5%	0.051	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-47.1	177.5	-59.4	-32.5	0	0	0	111.6	L798 I809 R814 I822 E849 L853	L798-Y818 HydrophobicContact CD1-CE1 4.49Å; I809-Y818 HydrophobicContact CD1-CE1 3.86Å; R814-Y818 HydrophobicContact CB-CD2 4.31Å; R814-Y818 HydrophobicContact CB-CE2 3.76Å; R814-Y818 HydrophobicContact CG-CE2 4.35Å; R814-Y818 WeakPolarHBondContact O-CB 3.29Å; R814-Y818 WeakPolarHBondContact O-CD2 3.37Å; R814-Y818 PolarHBondContact O-N 3.23Å; Y818-I822 WeakPolarHBondContact O-CB 3.35Å; Y818-I822 WeakPolarHBondContact O-CG1 3.32Å; Y818-I822 PolarHBondContact O-N 2.93Å; Y818-I822 VanDerWaalsContact O-N 3.09Å; Y818-E849 HydrophobicContact CE2-CG 4.23Å; Y818-E849 PolarHBondContact OH-OE1 2.91Å; Y818-L853 HydrophobicContact CD1-CD2 4.11Å; Y818-L853 HydrophobicContact CD2-CD2 3.53Å; Y818-L853 HydrophobicContact CD2-CG 3.94Å; Y818-L853 HydrophobicContact CE1-CD2 4.19Å; Y818-L853 HydrophobicContact CE2-CD2 3.62Å; Y818-L853 HydrophobicContact CE2-CG 3.86Å; Y818-L853 HydrophobicContact CG-CD2 3.81Å
819	T	97.9	Very high	95.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.1	-46	-178.9	-58.2	0	0	0	0	110.8	L780 V783 L784 E815 V816 I822 L823 R859	L780-T819 HydrophobicContact CD1-CG2 4.38Å; V783-T819 HydrophobicContact CG1-CG2 3.81Å; L784-T819 HydrophobicContact CD2-CG2 4.2Å; E815-T819 WeakPolarHBondContact O-CB 3.48Å; E815-T819 PolarHBondContact O-N 3.4Å; E815-T819 PolarHBondContact O-OG1 3.49Å; V816-T819 PolarHBondContact O-N 2.95Å; T819-I822 PolarHBondContact O-N 3.42Å; T819-L823 HydrophobicContact CG2-CD1 3.88Å; T819-L823 HydrophobicContact CG2-CG 4.39Å; T819-L823 WeakPolarHBondContact O-CB 3.18Å; T819-L823 WeakPolarHBondContact O-CG 3.4Å; T819-L823 PolarHBondContact O-N 3.16Å; T819-R859 PolarHBondContact OG1-NH1 3.38Å
820	G	97.6	Very high	95.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.1	-40.8	-178.1	0	0	0	0	0	112.5	V816 I822 L823 S824	V816-G820 PolarHBondContact O-N 3.27Å; G820-I822 VanDerWaalsContact C-N 3.34Å; G820-I822 PolarHBondContact O-N 3.11Å; G820-L823 PolarHBondContact O-N 3.31Å; G820-S824 PolarHBondContact O-N 3.33Å
821	S	97.2	Very high	95.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.6	-35.5	177.8	-57.1	0	0	0	0	112.2	A794 L798 V817 S824 Y829	A794-S821 PolarHBondContact O-OG 2.71Å; L798-S821 WeakPolarHBondContact CB-OG 3.45Å; L798-S821 VanDerWaalsContact CD2-CB 3.46Å; L798-S821 WeakPolarHBondContact CD2-OG 3.43Å; V817-S821 VanDerWaalsContact O-CB 3.25Å; V817-S821 WeakPolarHBondContact O-CB 3.32Å; V817-S821 PolarHBondContact O-N 3.28Å; V817-S821 PolarHBondContact O-OG 3.43Å; S821-S824 PolarHBondContact O-N 3.01Å; S821-S824 PolarHBondContact O-OG 3.37Å; S821-Y829 WeakPolarHBondContact O-CD2 3.15Å
822	I	97.1	Very high	95.7	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-73.4	-36.3	175.5	-69.9	176.5	0	0	0	111.7	Y818 T819 G820 S824 G825 C833 A856 L857	Y818-I822 WeakPolarHBondContact O-CB 3.35Å; Y818-I822 WeakPolarHBondContact O-CG1 3.32Å; Y818-I822 PolarHBondContact O-N 2.93Å; Y818-I822 VanDerWaalsContact O-N 3.09Å; T819-I822 PolarHBondContact O-N 3.42Å; G820-I822 VanDerWaalsContact C-N 3.34Å; G820-I822 PolarHBondContact O-N 3.11Å; I822-S824 PolarHBondContact O-N 3.4Å; I822-G825 PolarHBondContact O-N 2.91Å; I822-G825 VanDerWaalsContact O-N 3.15Å; I822-C833 HydrophobicContact CD1-CB 3.96Å; I822-A856 VanDerWaalsContact CD1-C 3.45Å; I822-A856 HydrophobicContact CD1-CB 3.8Å; I822-A856 WeakPolarHBondContact CG2-O 3.43Å; I822-L857 HydrophobicContact CD1-CD2 3.99Å; I822-L857 HydrophobicContact CD1-CG 4.2Å
823	L	96.1	Very high	95.8	Very high	13 Å²	13	25.4 Å²	25.4	7%	0.068	13%	0.13	C	C	.	.	H	α-helix	trans	-69.4	-13.1	176.4	-73.6	175.2	0	0	0	113.6	V783 I791 T819 G820 G825 R859 K861	V783-L823 HydrophobicContact CG1-CD1 3.82Å; V783-L823 VanDerWaalsContact O-CD1 3.26Å; V783-L823 WeakPolarHBondContact O-CD1 3.48Å; I791-L823 HydrophobicContact CD1-CB 4.2Å; I791-L823 HydrophobicContact CG1-CB 4.5Å; T819-L823 HydrophobicContact CG2-CD1 3.88Å; T819-L823 HydrophobicContact CG2-CG 4.39Å; T819-L823 WeakPolarHBondContact O-CB 3.18Å; T819-L823 WeakPolarHBondContact O-CG 3.4Å; T819-L823 PolarHBondContact O-N 3.16Å; G820-L823 PolarHBondContact O-N 3.31Å; L823-G825 PolarHBondContact O-N 3.37Å; L823-R859 VanDerWaalsContact CD2-O 3.29Å; L823-R859 WeakPolarHBondContact CD2-O 3.47Å; L823-K861 HydrophobicContact CD2-CG 4.46Å
824	S	95	Very high	95.8	Very high	33 Å²	33	26.6 Å²	26.6	23%	0.231	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.1	170	88.7	0	0	0	0	113.2	G820 S821 I822 E826	G820-S824 PolarHBondContact O-N 3.33Å; S821-S824 PolarHBondContact O-N 3.01Å; S821-S824 PolarHBondContact O-OG 3.37Å; I822-S824 PolarHBondContact O-N 3.4Å; S824-E826 WeakPolarHBondContact CB-OE1 3.43Å; S824-E826 PolarHBondContact OG-N 3.47Å; S824-E826 PolarHBondContact OG-OE1 2.97Å
825	G	92.8	Very high	95.8	Very high	47 Å²	47	28.4 Å²	28.4	49%	0.485	15%	0.145	S	C	.	.			trans	84.9	1.4	179	0	0	0	0	0	114.9	I822 L823	I822-G825 PolarHBondContact O-N 2.91Å; I822-G825 VanDerWaalsContact O-N 3.15Å; L823-G825 PolarHBondContact O-N 3.37Å
826	E	93.8	Very high	95.6	Very high	76 Å²	76	32.1 Å²	32.1	36%	0.355	16%	0.158	S	C	.	.			trans	-82.6	126.7	178.9	-72.6	150	-85	0	0	112	K795 S824 I828 Y829	K795-E826 WeakPolarHBondContact CE-OE1 3.49Å; K795-E826 IonicContact NZ-OE1 3.64Å; K795-E826 PolarHBondContact NZ-OE1 3.23Å; K795-E826 IonicContact NZ-OE2 3Å; K795-E826 PolarHBondContact NZ-OE2 3.15Å; S824-E826 WeakPolarHBondContact CB-OE1 3.43Å; S824-E826 PolarHBondContact OG-N 3.47Å; S824-E826 PolarHBondContact OG-OE1 2.97Å; E826-I828 HydrophobicContact CB-CG2 4.27Å; E826-I828 PolarHBondContact O-N 3.28Å; E826-I828 VanDerWaalsContact O-N 3.16Å; E826-Y829 HydrophobicContact CB-CD2 3.74Å; E826-Y829 HydrophobicContact CB-CE2 3.93Å; E826-Y829 HydrophobicContact CG-CE2 4.45Å; E826-Y829 PolarHBondContact O-N 3.42Å
827	Y	94.3	Very high	95.5	Very high	119 Å²	119	32.3 Å²	32.3	47%	0.467	16%	0.159	S	C	.	.	H	α-helix	trans	-53.5	-38	-178.7	172.6	-103.5	0	0	0	113.5	Y829 W830 Q831 W864 L865 R868	Y827-Y829 VanDerWaalsContact C-N 3.32Å; Y827-Y829 PolarHBondContact O-N 3.02Å; Y827-W830 PolarHBondContact O-N 3.1Å; Y827-Q831 HydrophobicContact CE1-CB 4.03Å; Y827-Q831 HydrophobicContact CE1-CG 4.28Å; Y827-Q831 HydrophobicContact CE2-CB 4.43Å; Y827-Q831 WeakPolarHBondContact O-CB 3.45Å; Y827-Q831 PolarHBondContact O-N 3.37Å; Y827-Q831 PolarHBondContact OH-OE1 3.37Å; Y827-Q831 VanDerWaalsContact OH-OE1 3.11Å; Y827-W864 HydrophobicContact CE2-CZ3 4.25Å; Y827-L865 HydrophobicContact CD2-CD2 4.02Å; Y827-L865 HydrophobicContact CE2-CD2 4.09Å; Y827-R868 PolarHBondContact OH-NH1 2.77Å
828	I	93.9	Very high	95.2	Very high	67 Å²	67	36.3 Å²	36.3	34%	0.344	18%	0.183	S	C	.	.	H	α-helix	trans	-58.9	-41.6	-175.3	-166.2	159	0	0	0	112.2	Y803 E826 Q831 H832	Y803-I828 WeakPolarHBondContact OH-CD1 3.46Å; E826-I828 HydrophobicContact CB-CG2 4.27Å; E826-I828 PolarHBondContact O-N 3.28Å; E826-I828 VanDerWaalsContact O-N 3.16Å; I828-Q831 PolarHBondContact O-N 2.91Å; I828-H832 WeakPolarHBondContact CG1-NE2 3.15Å; I828-H832 PolarHBondContact O-CD2 3.5Å; I828-H832 PolarHBondContact O-N 2.92Å
829	Y	95.4	Very high	94.9	Very high	8 Å²	8	41.7 Å²	41.7	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-70.1	-39.3	179.9	-61.3	-52.2	0	0	0	112.4	K795 L798 N799 L802 S821 E826 Y827 H832 C833	K795-Y829 HydrophobicContact CD-CE2 4.42Å; K795-Y829 HydrophobicContact CG-CE2 4.1Å; L798-Y829 HydrophobicContact CD2-CD1 3.59Å; L798-Y829 HydrophobicContact CD2-CE1 4.36Å; L798-Y829 HydrophobicContact CD2-CG 4.24Å; L798-Y829 HydrophobicContact CG-CD1 4.25Å; N799-Y829 PolarHBondContact ND2-OH 2.96Å; N799-Y829 WeakPolarHBondContact OD1-CE1 3.42Å; N799-Y829 PolarHBondContact OD1-OH 2.79Å; L802-Y829 HydrophobicContact CD1-CD1 4.46Å; L802-Y829 HydrophobicContact CD1-CE1 4.49Å; S821-Y829 WeakPolarHBondContact O-CD2 3.15Å; E826-Y829 HydrophobicContact CB-CD2 3.74Å; E826-Y829 HydrophobicContact CB-CE2 3.93Å; E826-Y829 HydrophobicContact CG-CE2 4.45Å; E826-Y829 PolarHBondContact O-N 3.42Å; Y827-Y829 VanDerWaalsContact C-N 3.32Å; Y827-Y829 PolarHBondContact O-N 3.02Å; Y829-H832 PolarHBondContact O-N 3.34Å; Y829-C833 WeakPolarHBondContact O-CB 3.27Å; Y829-C833 PolarHBondContact O-N 3.46Å; Y829-C833 PolarHBondContact O-SG 2.96Å
830	W	96.6	Very high	94.5	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-46.8	174.8	-169	99.6	0	0	0	110.7	Y827 H832 C833 W834 L857 L865 R868 L869	Y827-W830 PolarHBondContact O-N 3.1Å; W830-H832 VanDerWaalsContact C-N 3.35Å; W830-H832 PolarHBondContact O-N 3.08Å; W830-C833 PolarHBondContact O-N 3.03Å; W830-W834 HydrophobicContact CE3-CB 3.95Å; W830-W834 HydrophobicContact CH2-CB 4.05Å; W830-W834 AromaticContact CH2-CD2 3.94Å; W830-W834 HydrophobicContact CH2-CD2 3.94Å; W830-W834 HydrophobicContact CH2-CE3 4.04Å; W830-W834 AromaticContact CH2-CG 3.94Å; W830-W834 HydrophobicContact CH2-CG 3.94Å; W830-W834 HydrophobicContact CZ3-CB 3.57Å; W830-W834 HydrophobicContact CZ3-CD2 4.19Å; W830-W834 AromaticContact CZ3-CG 3.69Å; W830-W834 HydrophobicContact CZ3-CG 3.69Å; W830-W834 WeakPolarHBondContact O-CB 3.39Å; W830-W834 PolarHBondContact O-N 2.79Å; W830-L857 HydrophobicContact CD2-CD2 3.78Å; W830-L857 VanDerWaalsContact CE2-CD2 3.5Å; W830-L857 HydrophobicContact CE3-CD2 4.44Å; W830-L857 HydrophobicContact CG-CD2 3.99Å; W830-L857 HydrophobicContact CZ2-CD2 3.93Å; W830-L857 PolarHBondContact NE1-O 2.88Å; W830-L865 HydrophobicContact CB-CD1 3.94Å; W830-L865 HydrophobicContact CD2-CB 4.46Å; W830-L865 HydrophobicContact CD2-CD1 4.17Å; W830-L865 HydrophobicContact CD2-CD2 3.77Å; W830-L865 HydrophobicContact CD2-CG 4.38Å; W830-L865 HydrophobicContact CE3-CD2 3.77Å; W830-L865 HydrophobicContact CG-CD1 3.73Å; W830-L865 HydrophobicContact CG-CD2 4.21Å; W830-L865 HydrophobicContact CG-CG 4.43Å; W830-L865 HydrophobicContact CZ3-CD2 4.21Å; W830-R868 HydrophobicContact CH2-CG 4.35Å; W830-L869 HydrophobicContact CZ2-CB 4.22Å
831	Q	95.5	Very high	93.8	Very high	35 Å²	35	49.4 Å²	49.4	16%	0.164	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-42.3	179.4	180	62.4	25.5	0	0	111.5	Y827 I828 W834 E835	Y827-Q831 HydrophobicContact CE1-CB 4.03Å; Y827-Q831 HydrophobicContact CE1-CG 4.28Å; Y827-Q831 HydrophobicContact CE2-CB 4.43Å; Y827-Q831 WeakPolarHBondContact O-CB 3.45Å; Y827-Q831 PolarHBondContact O-N 3.37Å; Y827-Q831 PolarHBondContact OH-OE1 3.37Å; Y827-Q831 VanDerWaalsContact OH-OE1 3.11Å; I828-Q831 PolarHBondContact O-N 2.91Å; Q831-W834 WeakPolarHBondContact O-CB 3.36Å; Q831-W834 PolarHBondContact O-N 2.74Å; Q831-E835 WeakPolarHBondContact CG-OE1 3.23Å; Q831-E835 PolarHBondContact NE2-OE1 2.86Å; Q831-E835 WeakPolarHBondContact O-CG 3.48Å; Q831-E835 PolarHBondContact O-N 2.95Å
832	H	93.7	Very high	93	Very high	52 Å²	52	57 Å²	57	24%	0.241	28%	0.278	C	S	.	.	H	α-helix	trans	-64.2	-44.3	175	-72.8	-46.6	0	0	0	113.2	L802 I828 Y829 W830 W834 E835 R836	L802-H832 WeakPolarHBondContact CD1-CD2 3.3Å; L802-H832 HydrophobicContact CD2-CB 4.27Å; I828-H832 WeakPolarHBondContact CG1-NE2 3.15Å; I828-H832 PolarHBondContact O-CD2 3.5Å; I828-H832 PolarHBondContact O-N 2.92Å; Y829-H832 PolarHBondContact O-N 3.34Å; W830-H832 VanDerWaalsContact C-N 3.35Å; W830-H832 PolarHBondContact O-N 3.08Å; H832-W834 VanDerWaalsContact C-N 3.26Å; H832-W834 PolarHBondContact O-N 2.73Å; H832-E835 IonicContact ND1-OE2 3.69Å; H832-E835 PolarHBondContact O-N 2.85Å; H832-R836 WeakPolarHBondContact O-CB 3.46Å; H832-R836 PolarHBondContact O-N 3.14Å
833	C	95.4	Very high	91.9	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.02	29%	0.293	C	S	.	.	H	α-helix	trans	-62.9	-36.5	176.2	-68.3	0	0	0	0	111.4	I822 Y829 W830 F837 L853 L857	I822-C833 HydrophobicContact CD1-CB 3.96Å; Y829-C833 WeakPolarHBondContact O-CB 3.27Å; Y829-C833 PolarHBondContact O-N 3.46Å; Y829-C833 PolarHBondContact O-SG 2.96Å; W830-C833 PolarHBondContact O-N 3.03Å; C833-F837 WeakPolarHBondContact O-CB 3.41Å; C833-F837 PolarHBondContact O-N 3.07Å; C833-L853 HydrophobicContact CB-CD2 3.83Å; C833-L857 HydrophobicContact CB-CD2 3.87Å; C833-L857 HydrophobicContact CB-CG 4.32Å
834	W	95.7	Very high	90.6	Very high	27 Å²	27	61.5 Å²	61.5	10%	0.102	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-47.8	174.9	177.1	-104.9	0	0	0	112	W830 Q831 H832 R836 F837 V838 L857 L869 H872	W830-W834 HydrophobicContact CE3-CB 3.95Å; W830-W834 HydrophobicContact CH2-CB 4.05Å; W830-W834 AromaticContact CH2-CD2 3.94Å; W830-W834 HydrophobicContact CH2-CD2 3.94Å; W830-W834 HydrophobicContact CH2-CE3 4.04Å; W830-W834 AromaticContact CH2-CG 3.94Å; W830-W834 HydrophobicContact CH2-CG 3.94Å; W830-W834 HydrophobicContact CZ3-CB 3.57Å; W830-W834 HydrophobicContact CZ3-CD2 4.19Å; W830-W834 AromaticContact CZ3-CG 3.69Å; W830-W834 HydrophobicContact CZ3-CG 3.69Å; W830-W834 WeakPolarHBondContact O-CB 3.39Å; W830-W834 PolarHBondContact O-N 2.79Å; Q831-W834 WeakPolarHBondContact O-CB 3.36Å; Q831-W834 PolarHBondContact O-N 2.74Å; H832-W834 VanDerWaalsContact C-N 3.26Å; H832-W834 PolarHBondContact O-N 2.73Å; W834-R836 VanDerWaalsContact C-N 3.33Å; W834-R836 PolarHBondContact O-N 3Å; W834-F837 HydrophobicContact CE3-CD1 4.08Å; W834-F837 HydrophobicContact CH2-CD1 4.46Å; W834-F837 HydrophobicContact CH2-CE1 4.44Å; W834-F837 AromaticContact CZ3-CD1 3.86Å; W834-F837 HydrophobicContact CZ3-CD1 3.86Å; W834-F837 HydrophobicContact CZ3-CE1 4.06Å; W834-F837 WeakPolarHBondContact O-CB 3.45Å; W834-F837 PolarHBondContact O-N 2.69Å; W834-F837 VanDerWaalsContact O-N 3.17Å; W834-V838 HydrophobicContact CD2-CG2 4.19Å; W834-V838 HydrophobicContact CZ2-CG2 3.92Å; W834-V838 WeakPolarHBondContact O-CG2 3.48Å; W834-V838 PolarHBondContact O-N 3.26Å; W834-L857 HydrophobicContact CB-CD2 4.14Å; W834-L857 HydrophobicContact CE3-CD1 4Å; W834-L869 HydrophobicContact CE3-CD1 4.04Å; W834-L869 HydrophobicContact CH2-CD1 4.36Å; W834-L869 HydrophobicContact CZ3-CD1 3.48Å; W834-L869 VanDerWaalsContact CZ3-CD1 3.48Å; W834-H872 HydrophobicContact CH2-CB 3.83Å; W834-H872 AromaticContact CH2-CD2 3.59Å; W834-H872 AromaticContact CH2-CG 3.7Å; W834-H872 HydrophobicContact CZ2-CB 4.48Å; W834-H872 AromaticContact CZ2-CD2 3.51Å; W834-H872 AromaticContact CZ2-CG 3.86Å; W834-H872 AromaticContact CZ2-NE2 3.74Å
835	E	94.3	Very high	89.4	Confident	80 Å²	80	64.8 Å²	64.8	37%	0.374	32%	0.32	S	S	.	.	H	α-helix	trans	-59.5	-44.3	175.8	-75.1	166.7	-176.4	0	0	111.5	Q831 H832 F837 V838 N839	Q831-E835 WeakPolarHBondContact CG-OE1 3.23Å; Q831-E835 PolarHBondContact NE2-OE1 2.86Å; Q831-E835 WeakPolarHBondContact O-CG 3.48Å; Q831-E835 PolarHBondContact O-N 2.95Å; H832-E835 IonicContact ND1-OE2 3.69Å; H832-E835 PolarHBondContact O-N 2.85Å; E835-F837 VanDerWaalsContact C-N 3.35Å; E835-F837 PolarHBondContact O-N 3.25Å; E835-V838 PolarHBondContact O-N 3.08Å; E835-N839 VanDerWaalsContact O-CB 3.3Å; E835-N839 WeakPolarHBondContact O-CB 3.35Å; E835-N839 PolarHBondContact O-N 3.41Å; E835-N839 PolarHBondContact O-ND2 2.84Å
836	R	93.4	Very high	88.9	Confident	95 Å²	95	63.8 Å²	63.8	36%	0.358	31%	0.305	S	S	.	.	H	α-helix	trans	-58.2	-48	173.8	-178.1	64.5	178.3	169	4.7	110.8	H832 W834 V838 N839 L840 E849 L853	H832-R836 WeakPolarHBondContact O-CB 3.46Å; H832-R836 PolarHBondContact O-N 3.14Å; W834-R836 VanDerWaalsContact C-N 3.33Å; W834-R836 PolarHBondContact O-N 3Å; R836-V838 VanDerWaalsContact C-N 3.35Å; R836-V838 PolarHBondContact O-N 3.5Å; R836-N839 PolarHBondContact O-N 3.45Å; R836-L840 HydrophobicContact CG-CD1 4.27Å; R836-L840 HydrophobicContact CG-CG 4.48Å; R836-L840 VanDerWaalsContact O-CG 3.24Å; R836-L840 WeakPolarHBondContact O-CG 3.1Å; R836-L840 PolarHBondContact O-N 3.03Å; R836-E849 IonicContact CZ-OE1 3.23Å; R836-E849 IonicContact CZ-OE2 3.87Å; R836-E849 IonicContact NE-OE1 2.72Å; R836-E849 PolarHBondContact NE-OE1 2.8Å; R836-E849 IonicContact NH2-OE1 2.88Å; R836-E849 PolarHBondContact NH2-OE1 3.4Å; R836-E849 IonicContact NH2-OE2 3.02Å; R836-E849 PolarHBondContact NH2-OE2 3.21Å; R836-L853 HydrophobicContact CB-CD1 4.28Å; R836-L853 HydrophobicContact CG-CD1 3.79Å
837	F	93.7	Very high	88.4	Confident	6 Å²	6	63.5 Å²	63.5	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-60.2	-41.7	177.9	169.7	-100.5	0	0	0	113	C833 W834 E835 R850 L853 L854 L857 L876	C833-F837 WeakPolarHBondContact O-CB 3.41Å; C833-F837 PolarHBondContact O-N 3.07Å; W834-F837 HydrophobicContact CE3-CD1 4.08Å; W834-F837 HydrophobicContact CH2-CD1 4.46Å; W834-F837 HydrophobicContact CH2-CE1 4.44Å; W834-F837 AromaticContact CZ3-CD1 3.86Å; W834-F837 HydrophobicContact CZ3-CD1 3.86Å; W834-F837 HydrophobicContact CZ3-CE1 4.06Å; W834-F837 WeakPolarHBondContact O-CB 3.45Å; W834-F837 PolarHBondContact O-N 2.69Å; W834-F837 VanDerWaalsContact O-N 3.17Å; E835-F837 VanDerWaalsContact C-N 3.35Å; E835-F837 PolarHBondContact O-N 3.25Å; F837-R850 HydrophobicContact CD2-CB 4.22Å; F837-R850 HydrophobicContact CD2-CG 4.39Å; F837-R850 HydrophobicContact CE2-CB 4.19Å; F837-R850 VanDerWaalsContact CE2-CZ 3.43Å; F837-R850 PolarHBondContact O-NH1 3.5Å; F837-L853 HydrophobicContact CB-CB 4.27Å; F837-L853 HydrophobicContact CB-CD1 4.1Å; F837-L854 HydrophobicContact CD1-CD2 4.26Å; F837-L854 HydrophobicContact CD2-CD2 3.84Å; F837-L854 HydrophobicContact CD2-CG 3.92Å; F837-L854 HydrophobicContact CE1-CD2 3.9Å; F837-L854 HydrophobicContact CE2-CD1 3.65Å; F837-L854 HydrophobicContact CE2-CD2 3.42Å; F837-L854 VanDerWaalsContact CE2-CD2 3.42Å; F837-L854 HydrophobicContact CE2-CG 3.45Å; F837-L854 VanDerWaalsContact CE2-CG 3.45Å; F837-L854 HydrophobicContact CG-CD2 4.23Å; F837-L854 HydrophobicContact CZ-CD1 4Å; F837-L854 HydrophobicContact CZ-CD2 3.46Å; F837-L854 VanDerWaalsContact CZ-CD2 3.46Å; F837-L854 HydrophobicContact CZ-CG 3.95Å; F837-L857 HydrophobicContact CB-CD1 4.31Å; F837-L876 HydrophobicContact CE1-CD2 4.26Å; F837-L876 HydrophobicContact CZ-CD2 3.99Å
838	V	92.3	Very high	88.1	Confident	85 Å²	85	60 Å²	60	52%	0.515	29%	0.293	S	S	.	.	H	α-helix	trans	-68.7	-39.3	178.7	171.7	0	0	0	0	111.2	W834 E835 R836	W834-V838 HydrophobicContact CD2-CG2 4.19Å; W834-V838 HydrophobicContact CZ2-CG2 3.92Å; W834-V838 WeakPolarHBondContact O-CG2 3.48Å; W834-V838 PolarHBondContact O-N 3.26Å; E835-V838 PolarHBondContact O-N 3.08Å; R836-V838 VanDerWaalsContact C-N 3.35Å; R836-V838 PolarHBondContact O-N 3.5Å
839	N	91.1	Very high	88	Confident	126 Å²	126	57.5 Å²	57.5	67%	0.674	28%	0.28	S	S	*	.	H	α-helix	trans	-75.4	-25.6	-179.5	-69.6	-21.8	0	0	0	113.3	E835 R836 Q841	E835-N839 VanDerWaalsContact O-CB 3.3Å; E835-N839 WeakPolarHBondContact O-CB 3.35Å; E835-N839 PolarHBondContact O-N 3.41Å; E835-N839 PolarHBondContact O-ND2 2.84Å; R836-N839 PolarHBondContact O-N 3.45Å; N839-Q841 PolarHBondContact O-N 3.03Å
840	L	90	Very high	87.9	Confident	15 Å²	15	57.4 Å²	57.4	8%	0.079	28%	0.28	C	S	.	.	S	Bend	trans	-67.3	114	173.8	-76.5	173.9	0	0	0	110	R836 T846 E849 R850 L853	R836-L840 HydrophobicContact CG-CD1 4.27Å; R836-L840 HydrophobicContact CG-CG 4.48Å; R836-L840 VanDerWaalsContact O-CG 3.24Å; R836-L840 WeakPolarHBondContact O-CG 3.1Å; R836-L840 PolarHBondContact O-N 3.03Å; L840-T846 HydrophobicContact CD2-CG2 3.79Å; L840-E849 HydrophobicContact CD1-CB 4.16Å; L840-E849 HydrophobicContact CD1-CG 3.89Å; L840-R850 HydrophobicContact CB-CG 3.88Å; L840-R850 HydrophobicContact CD1-CG 3.92Å; L840-R850 PolarHBondContact O-NH1 3.01Å; L840-L853 HydrophobicContact CD1-CD1 3.62Å
841	Q	81.5	Confident	87.7	Confident	147 Å²	147	58.6 Å²	58.6	69%	0.687	29%	0.286	S	S	*	.			trans	-55.5	152.2	171.6	-64.5	-178.1	-4.7	0	0	110.9	N839 T843 T846	N839-Q841 PolarHBondContact O-N 3.03Å; Q841-T843 HydrophobicContact CB-CG2 3.92Å; Q841-T843 PolarHBondContact O-N 3.12Å; Q841-T846 PolarHBondContact O-OG1 3.35Å
842	R	81.3	Confident	87.7	Confident	158 Å²	158	57.5 Å²	57.5	60%	0.596	28%	0.281	S	S	*	.	S	Bend	trans	-81	62.8	176.3	-66.9	-173.3	179.1	94	-1.2	110.9
843	T	74.4	Confident	87.9	Confident	53 Å²	53	55 Å²	55	33%	0.325	27%	0.269	S	S	.	.			trans	-103.2	160.9	175.1	69.1	0	0	0	0	110	Q841 E845 T846 F847	Q841-T843 HydrophobicContact CB-CG2 3.92Å; Q841-T843 PolarHBondContact O-N 3.12Å; T843-E845 PolarHBondContact O-N 3.09Å; T843-T846 PolarHBondContact N-OG1 3.12Å; T843-T846 PolarHBondContact O-N 2.94Å; T843-T846 PolarHBondContact O-OG1 3.11Å; T843-T846 VanDerWaalsContact O-OG1 3.13Å; T843-T846 PolarHBondContact OG1-OG1 3.08Å; T843-F847 PolarHBondContact O-N 3.28Å; T843-F847 VanDerWaalsContact O-N 3.12Å
844	S	68.6	Low	87.9	Confident	57 Å²	57	54.9 Å²	54.9	40%	0.399	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.3	177.9	-71.5	0	0	0	0	113	K372 S374	K372-S844 PolarHBondContact NZ-OG 3.22Å; S374-S844 WeakPolarHBondContact OG-CB 3.42Å
845	E	69.6	Low	88	Confident	102 Å²	102	56.4 Å²	56.4	48%	0.477	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-38.4	176.5	-60.1	-171.1	159.2	0	0	112.2	R322 T377 T843	R322-E845 IonicContact NH1-OE1 3.94Å; T377-E845 HydrophobicContact CG2-CG 4.24Å; T843-E845 PolarHBondContact O-N 3.09Å
846	T	81.8	Confident	88.1	Confident	26 Å²	26	52.6 Å²	52.6	16%	0.16	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-11.3	-177.9	59.6	0	0	0	0	112.8	L840 Q841 T843 V848 E849 R850	L840-T846 HydrophobicContact CD2-CG2 3.79Å; Q841-T846 PolarHBondContact O-OG1 3.35Å; T843-T846 PolarHBondContact N-OG1 3.12Å; T843-T846 PolarHBondContact O-N 2.94Å; T843-T846 PolarHBondContact O-OG1 3.11Å; T843-T846 VanDerWaalsContact O-OG1 3.13Å; T843-T846 PolarHBondContact OG1-OG1 3.08Å; T846-V848 VanDerWaalsContact C-N 3.29Å; T846-V848 PolarHBondContact O-N 2.93Å; T846-E849 PolarHBondContact O-N 3.48Å; T846-E849 VanDerWaalsContact O-N 3.17Å; T846-R850 WeakPolarHBondContact O-CG 3.45Å; T846-R850 PolarHBondContact O-N 2.91Å
847	F	84.9	Confident	88.3	Confident	70 Å²	70	48 Å²	48	31%	0.307	24%	0.239	S	C	.	.	H	α-helix	trans	-52.7	-43.5	-174.2	179.6	-100.6	0	0	0	113.1	T843 R850 M851 E879	T843-F847 PolarHBondContact O-N 3.28Å; T843-F847 VanDerWaalsContact O-N 3.12Å; F847-R850 WeakPolarHBondContact O-CB 3.25Å; F847-R850 PolarHBondContact O-N 3.36Å; F847-M851 HydrophobicContact CD1-CG 4.26Å; F847-M851 HydrophobicContact CD2-CG 4.48Å; F847-M851 HydrophobicContact CE1-CG 3.85Å; F847-M851 HydrophobicContact CE2-CG 4.09Å; F847-M851 HydrophobicContact CE2-SD 4.3Å; F847-M851 HydrophobicContact CZ-CE 4.3Å; F847-M851 HydrophobicContact CZ-CG 3.76Å; F847-M851 HydrophobicContact CZ-SD 4.1Å; F847-M851 VanDerWaalsContact O-CG 3.28Å; F847-M851 WeakPolarHBondContact O-CG 3.39Å; F847-M851 PolarHBondContact O-N 3.16Å; F847-E879 VanDerWaalsContact CZ-OE2 3.26Å; F847-E879 WeakPolarHBondContact CZ-OE2 3.49Å
848	V	87.4	Confident	88.4	Confident	45 Å²	45	47.8 Å²	47.8	27%	0.273	24%	0.238	S	C	.	.	H	α-helix	trans	-68.1	-43.8	-178.9	174.7	0	0	0	0	112	T846 R850 M851 Q852	T846-V848 VanDerWaalsContact C-N 3.29Å; T846-V848 PolarHBondContact O-N 2.93Å; V848-R850 VanDerWaalsContact C-N 3.31Å; V848-R850 PolarHBondContact O-N 3.28Å; V848-M851 PolarHBondContact O-N 3.09Å; V848-Q852 HydrophobicContact CG1-CG 4.46Å; V848-Q852 VanDerWaalsContact O-CG 3.29Å; V848-Q852 WeakPolarHBondContact O-CG 3.39Å; V848-Q852 PolarHBondContact O-N 2.51Å
849	E	91.2	Very high	88.5	Confident	16 Å²	16	44.5 Å²	44.5	8%	0.075	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-41.7	174.7	-170.6	-175.4	164.7	0	0	110.7	Y818 R836 L840 T846 M851 Q852 L853	Y818-E849 HydrophobicContact CE2-CG 4.23Å; Y818-E849 PolarHBondContact OH-OE1 2.91Å; R836-E849 IonicContact CZ-OE1 3.23Å; R836-E849 IonicContact CZ-OE2 3.87Å; R836-E849 IonicContact NE-OE1 2.72Å; R836-E849 PolarHBondContact NE-OE1 2.8Å; R836-E849 IonicContact NH2-OE1 2.88Å; R836-E849 PolarHBondContact NH2-OE1 3.4Å; R836-E849 IonicContact NH2-OE2 3.02Å; R836-E849 PolarHBondContact NH2-OE2 3.21Å; L840-E849 HydrophobicContact CD1-CB 4.16Å; L840-E849 HydrophobicContact CD1-CG 3.89Å; T846-E849 PolarHBondContact O-N 3.48Å; T846-E849 VanDerWaalsContact O-N 3.17Å; E849-M851 VanDerWaalsContact C-N 3.35Å; E849-M851 PolarHBondContact O-N 3.15Å; E849-Q852 WeakPolarHBondContact O-CB 3.17Å; E849-Q852 PolarHBondContact O-N 3.06Å; E849-L853 HydrophobicContact CG-CD1 4.12Å; E849-L853 WeakPolarHBondContact O-CB 3.21Å; E849-L853 WeakPolarHBondContact O-CG 3.38Å; E849-L853 PolarHBondContact O-N 3.07Å
850	R	92.8	Very high	88.7	Confident	5 Å²	5	38.6 Å²	38.6	2%	0.019	19%	0.185	C	C	.	.	H	α-helix	trans	-57.3	-46.3	174.5	-69.2	175.3	61.8	67.1	11.4	111.7	F837 L840 T846 F847 V848 L853 L854 E880	F837-R850 HydrophobicContact CD2-CB 4.22Å; F837-R850 HydrophobicContact CD2-CG 4.39Å; F837-R850 HydrophobicContact CE2-CB 4.19Å; F837-R850 VanDerWaalsContact CE2-CZ 3.43Å; F837-R850 PolarHBondContact O-NH1 3.5Å; L840-R850 HydrophobicContact CB-CG 3.88Å; L840-R850 HydrophobicContact CD1-CG 3.92Å; L840-R850 PolarHBondContact O-NH1 3.01Å; T846-R850 WeakPolarHBondContact O-CG 3.45Å; T846-R850 PolarHBondContact O-N 2.91Å; F847-R850 WeakPolarHBondContact O-CB 3.25Å; F847-R850 PolarHBondContact O-N 3.36Å; V848-R850 VanDerWaalsContact C-N 3.31Å; V848-R850 PolarHBondContact O-N 3.28Å; R850-L853 PolarHBondContact O-N 2.84Å; R850-L854 WeakPolarHBondContact O-CG 3.41Å; R850-L854 PolarHBondContact O-N 2.97Å; R850-E880 IonicContact CZ-OE1 2.69Å; R850-E880 VanDerWaalsContact CZ-OE1 3.3Å; R850-E880 IonicContact NE-OE1 3.42Å; R850-E880 PolarHBondContact NE-OE1 2.89Å; R850-E880 VanDerWaalsContact NH2-CD 3.27Å; R850-E880 IonicContact NH2-OE1 2.65Å; R850-E880 PolarHBondContact NH2-OE1 3.47Å; R850-E880 IonicContact NH2-OE2 2.68Å; R850-E880 PolarHBondContact NH2-OE2 3.17Å
851	M	93.9	Very high	88.7	Confident	27 Å²	27	42.6 Å²	42.6	13%	0.133	20%	0.202	C	C	.	.	H	α-helix	trans	-67.9	-35.4	178.4	-67.7	-66.4	-83.2	0	0	112.7	F847 V848 E849 L854 R855 E880 Q883	F847-M851 HydrophobicContact CD1-CG 4.26Å; F847-M851 HydrophobicContact CD2-CG 4.48Å; F847-M851 HydrophobicContact CE1-CG 3.85Å; F847-M851 HydrophobicContact CE2-CG 4.09Å; F847-M851 HydrophobicContact CE2-SD 4.3Å; F847-M851 HydrophobicContact CZ-CE 4.3Å; F847-M851 HydrophobicContact CZ-CG 3.76Å; F847-M851 HydrophobicContact CZ-SD 4.1Å; F847-M851 VanDerWaalsContact O-CG 3.28Å; F847-M851 WeakPolarHBondContact O-CG 3.39Å; F847-M851 PolarHBondContact O-N 3.16Å; V848-M851 PolarHBondContact O-N 3.09Å; E849-M851 VanDerWaalsContact C-N 3.35Å; E849-M851 PolarHBondContact O-N 3.15Å; M851-L854 HydrophobicContact SD-CD1 4.48Å; M851-R855 WeakPolarHBondContact O-CG 3.26Å; M851-R855 PolarHBondContact O-N 3.42Å; M851-R855 PolarHBondContact O-NE 2.78Å; M851-E880 HydrophobicContact SD-CG 4.14Å; M851-Q883 HydrophobicContact CE-CB 3.54Å; M851-Q883 HydrophobicContact CE-CG 3.67Å; M851-Q883 HydrophobicContact SD-CB 3.99Å; M851-Q883 HydrophobicContact SD-CG 4.04Å
852	Q	95.3	Very high	89.3	Confident	12 Å²	12	39.1 Å²	39.1	6%	0.056	19%	0.188	C	C	.	.	H	α-helix	trans	-63.8	-44.7	171.9	-71.1	172.1	-24.8	0	0	111.3	E815 V848 E849 R855 A856	E815-Q852 HydrophobicContact CB-CB 4.16Å; E815-Q852 HydrophobicContact CB-CG 3.94Å; E815-Q852 HydrophobicContact CG-CB 4.41Å; E815-Q852 HydrophobicContact CG-CG 4.39Å; V848-Q852 HydrophobicContact CG1-CG 4.46Å; V848-Q852 VanDerWaalsContact O-CG 3.29Å; V848-Q852 WeakPolarHBondContact O-CG 3.39Å; V848-Q852 PolarHBondContact O-N 2.51Å; E849-Q852 WeakPolarHBondContact O-CB 3.17Å; E849-Q852 PolarHBondContact O-N 3.06Å; Q852-R855 WeakPolarHBondContact O-CB 3.4Å; Q852-R855 PolarHBondContact O-N 3.14Å; Q852-A856 WeakPolarHBondContact O-CB 3.5Å; Q852-A856 PolarHBondContact O-N 3.26Å
853	L	96.6	Very high	89.8	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.7	-46.1	176.4	-73.7	163.3	0	0	0	111.6	Y818 C833 R836 F837 L840 E849 R850 R855 A856 L857	Y818-L853 HydrophobicContact CD1-CD2 4.11Å; Y818-L853 HydrophobicContact CD2-CD2 3.53Å; Y818-L853 HydrophobicContact CD2-CG 3.94Å; Y818-L853 HydrophobicContact CE1-CD2 4.19Å; Y818-L853 HydrophobicContact CE2-CD2 3.62Å; Y818-L853 HydrophobicContact CE2-CG 3.86Å; Y818-L853 HydrophobicContact CG-CD2 3.81Å; C833-L853 HydrophobicContact CB-CD2 3.83Å; R836-L853 HydrophobicContact CB-CD1 4.28Å; R836-L853 HydrophobicContact CG-CD1 3.79Å; F837-L853 HydrophobicContact CB-CB 4.27Å; F837-L853 HydrophobicContact CB-CD1 4.1Å; L840-L853 HydrophobicContact CD1-CD1 3.62Å; E849-L853 HydrophobicContact CG-CD1 4.12Å; E849-L853 WeakPolarHBondContact O-CB 3.21Å; E849-L853 WeakPolarHBondContact O-CG 3.38Å; E849-L853 PolarHBondContact O-N 3.07Å; R850-L853 PolarHBondContact O-N 2.84Å; L853-R855 VanDerWaalsContact C-N 3.31Å; L853-R855 PolarHBondContact O-N 3.42Å; L853-A856 PolarHBondContact O-N 3.46Å; L853-A856 VanDerWaalsContact O-N 3.15Å; L853-L857 WeakPolarHBondContact O-CB 3.34Å; L853-L857 WeakPolarHBondContact O-CD1 3.49Å; L853-L857 WeakPolarHBondContact O-CG 3.21Å; L853-L857 PolarHBondContact O-N 3.34Å
854	L	96.4	Very high	90.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.7	-38.4	177.3	-71.4	179.6	0	0	0	112.5	F837 R850 M851 L857 G858 E880 Q883 V884	F837-L854 HydrophobicContact CD1-CD2 4.26Å; F837-L854 HydrophobicContact CD2-CD2 3.84Å; F837-L854 HydrophobicContact CD2-CG 3.92Å; F837-L854 HydrophobicContact CE1-CD2 3.9Å; F837-L854 HydrophobicContact CE2-CD1 3.65Å; F837-L854 HydrophobicContact CE2-CD2 3.42Å; F837-L854 VanDerWaalsContact CE2-CD2 3.42Å; F837-L854 HydrophobicContact CE2-CG 3.45Å; F837-L854 VanDerWaalsContact CE2-CG 3.45Å; F837-L854 HydrophobicContact CG-CD2 4.23Å; F837-L854 HydrophobicContact CZ-CD1 4Å; F837-L854 HydrophobicContact CZ-CD2 3.46Å; F837-L854 VanDerWaalsContact CZ-CD2 3.46Å; F837-L854 HydrophobicContact CZ-CG 3.95Å; R850-L854 WeakPolarHBondContact O-CG 3.41Å; R850-L854 PolarHBondContact O-N 2.97Å; M851-L854 HydrophobicContact SD-CD1 4.48Å; L854-L857 HydrophobicContact CD2-CD1 4.41Å; L854-G858 PolarHBondContact O-N 3.42Å; L854-G858 VanDerWaalsContact O-N 3.1Å; L854-E880 HydrophobicContact CD1-CB 3.58Å; L854-E880 HydrophobicContact CD1-CG 3.73Å; L854-Q883 HydrophobicContact CB-CG 4.33Å; L854-V884 HydrophobicContact CB-CG2 3.84Å; L854-V884 HydrophobicContact CD1-CG2 3.97Å; L854-V884 HydrophobicContact CD2-CG2 3.54Å; L854-V884 HydrophobicContact CG-CG2 3.96Å
855	R	96.5	Very high	92	Very high	59 Å²	59	36 Å²	36	22%	0.223	17%	0.172	C	C	.	.	H	α-helix	trans	-60.4	-47.9	171.5	-82.3	-175.3	-72.5	156.1	-2.7	111.9	E815 M851 Q852 L853 R859 Q883	E815-R855 IonicContact OE1-CZ 3.14Å; E815-R855 IonicContact OE1-NE 3.99Å; E815-R855 IonicContact OE1-NH1 3.4Å; E815-R855 PolarHBondContact OE1-NH1 2.98Å; E815-R855 IonicContact OE1-NH2 3.41Å; E815-R855 IonicContact OE2-CZ 3.15Å; E815-R855 IonicContact OE2-NE 2.98Å; E815-R855 IonicContact OE2-NH1 2.79Å; E815-R855 PolarHBondContact OE2-NH1 3.22Å; E815-R855 IonicContact OE2-NH2 3.79Å; E815-R855 PolarHBondContact OE2-NH2 3.23Å; M851-R855 WeakPolarHBondContact O-CG 3.26Å; M851-R855 PolarHBondContact O-N 3.42Å; M851-R855 PolarHBondContact O-NE 2.78Å; Q852-R855 WeakPolarHBondContact O-CB 3.4Å; Q852-R855 PolarHBondContact O-N 3.14Å; L853-R855 VanDerWaalsContact C-N 3.31Å; L853-R855 PolarHBondContact O-N 3.42Å; R855-R859 WeakPolarHBondContact O-CD 3.46Å; R855-R859 VanDerWaalsContact O-CG 3.23Å; R855-R859 WeakPolarHBondContact O-CG 3.03Å; R855-R859 PolarHBondContact O-N 3.26Å; R855-Q883 HydrophobicContact CG-CG 3.85Å
856	A	97.5	Very high	93.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.5	-49	179.9	0	0	0	0	0	111.5	I822 Q852 L853 G858 R859	I822-A856 VanDerWaalsContact CD1-C 3.45Å; I822-A856 HydrophobicContact CD1-CB 3.8Å; I822-A856 WeakPolarHBondContact CG2-O 3.43Å; Q852-A856 WeakPolarHBondContact O-CB 3.5Å; Q852-A856 PolarHBondContact O-N 3.26Å; L853-A856 PolarHBondContact O-N 3.46Å; L853-A856 VanDerWaalsContact O-N 3.15Å; A856-G858 VanDerWaalsContact C-N 3.33Å; A856-G858 PolarHBondContact O-N 3.18Å; A856-R859 WeakPolarHBondContact O-CB 3.26Å; A856-R859 PolarHBondContact O-N 2.73Å
857	L	97.4	Very high	93.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.8	-41.5	179.8	-71.5	164.1	0	0	0	112.8	I822 W830 C833 W834 F837 L853 L854 R859 T860 L869	I822-L857 HydrophobicContact CD1-CD2 3.99Å; I822-L857 HydrophobicContact CD1-CG 4.2Å; W830-L857 HydrophobicContact CD2-CD2 3.78Å; W830-L857 VanDerWaalsContact CE2-CD2 3.5Å; W830-L857 HydrophobicContact CE3-CD2 4.44Å; W830-L857 HydrophobicContact CG-CD2 3.99Å; W830-L857 HydrophobicContact CZ2-CD2 3.93Å; W830-L857 PolarHBondContact NE1-O 2.88Å; C833-L857 HydrophobicContact CB-CD2 3.87Å; C833-L857 HydrophobicContact CB-CG 4.32Å; W834-L857 HydrophobicContact CB-CD2 4.14Å; W834-L857 HydrophobicContact CE3-CD1 4Å; F837-L857 HydrophobicContact CB-CD1 4.31Å; L853-L857 WeakPolarHBondContact O-CB 3.34Å; L853-L857 WeakPolarHBondContact O-CD1 3.49Å; L853-L857 WeakPolarHBondContact O-CG 3.21Å; L853-L857 PolarHBondContact O-N 3.34Å; L854-L857 HydrophobicContact CD2-CD1 4.41Å; L857-R859 VanDerWaalsContact C-N 3.25Å; L857-R859 PolarHBondContact O-N 3.47Å; L857-T860 WeakPolarHBondContact O-CG2 3.35Å; L857-L869 HydrophobicContact CB-CD2 3.89Å
858	G	95.4	Very high	94.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-72.1	-15.2	178.2	0	0	0	0	0	114.5	L854 A856 I888	L854-G858 PolarHBondContact O-N 3.42Å; L854-G858 VanDerWaalsContact O-N 3.1Å; A856-G858 VanDerWaalsContact C-N 3.33Å; A856-G858 PolarHBondContact O-N 3.18Å; G858-I888 WeakPolarHBondContact O-CA 3.24Å
859	R	94.4	Very high	94.4	Very high	16 Å²	16	31.3 Å²	31.3	6%	0.06	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	0.3	179.2	-73.9	168.7	173.5	163.8	-6.9	113.6	E731 E815 T819 L823 R855 A856 L857	E731-R859 IonicContact OE1-NH2 3.72Å; E731-R859 PolarHBondContact OE1-NH2 2.99Å; E731-R859 VanDerWaalsContact OE1-NH2 3.14Å; E815-R859 IonicContact OE1-NH1 3.39Å; E815-R859 PolarHBondContact OE1-NH1 2.94Å; E815-R859 IonicContact OE1-NH2 3.95Å; T819-R859 PolarHBondContact OG1-NH1 3.38Å; L823-R859 VanDerWaalsContact CD2-O 3.29Å; L823-R859 WeakPolarHBondContact CD2-O 3.47Å; R855-R859 WeakPolarHBondContact O-CD 3.46Å; R855-R859 VanDerWaalsContact O-CG 3.23Å; R855-R859 WeakPolarHBondContact O-CG 3.03Å; R855-R859 PolarHBondContact O-N 3.26Å; A856-R859 WeakPolarHBondContact O-CB 3.26Å; A856-R859 PolarHBondContact O-N 2.73Å; L857-R859 VanDerWaalsContact C-N 3.25Å; L857-R859 PolarHBondContact O-N 3.47Å
860	T	94.7	Very high	94.5	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.012	14%	0.144	C	C	.	.			trans	-56.6	145	176.5	-174.7	0	0	0	0	112.1	L857 D862 L865 Q866	L857-T860 WeakPolarHBondContact O-CG2 3.35Å; T860-D862 PolarHBondContact OG1-N 3.27Å; T860-L865 HydrophobicContact CG2-CB 3.77Å; T860-Q866 HydrophobicContact CG2-CB 4.46Å; T860-Q866 HydrophobicContact CG2-CG 3.56Å; T860-Q866 PolarHBondContact O-NE2 2.61Å
861	K	90.6	Very high	94.4	Very high	100 Å²	100	33.9 Å²	33.9	44%	0.435	17%	0.167	S	C	.	.	S	Bend	trans	-81.4	-20.5	177	-64.8	179.2	176.3	-179.6	0	112.6	E786 L823 A863	E786-K861 VanDerWaalsContact CD-CE 3.41Å; E786-K861 WeakPolarHBondContact OE1-CE 3.5Å; E786-K861 IonicContact OE1-NZ 3.95Å; E786-K861 PolarHBondContact OE1-NZ 3.46Å; E786-K861 WeakPolarHBondContact OE2-CE 3.34Å; E786-K861 IonicContact OE2-NZ 2.93Å; E786-K861 PolarHBondContact OE2-NZ 3.03Å; L823-K861 HydrophobicContact CD2-CG 4.46Å; K861-A863 PolarHBondContact O-N 3.14Å
862	D	94.1	Very high	94.2	Very high	73 Å²	73	36.1 Å²	36.1	39%	0.39	18%	0.177	S	C	.	.			trans	-78.1	118.3	-177.7	-174	-51.2	0	0	0	110.9	T860 W864 L865 Q866	T860-D862 PolarHBondContact OG1-N 3.27Å; D862-W864 VanDerWaalsContact C-N 3.31Å; D862-W864 PolarHBondContact O-N 3.05Å; D862-W864 VanDerWaalsContact OD1-CA 3.3Å; D862-W864 WeakPolarHBondContact OD1-CA 3.32Å; D862-W864 WeakPolarHBondContact OD1-CB 3.11Å; D862-W864 PolarHBondContact OD1-N 3.12Å; D862-L865 HydrophobicContact CB-CB 4.1Å; D862-L865 HydrophobicContact CB-CD1 3.92Å; D862-L865 HydrophobicContact CB-CG 4.05Å; D862-L865 PolarHBondContact O-N 3.13Å; D862-L865 PolarHBondContact OD1-N 3.42Å; D862-Q866 WeakPolarHBondContact O-CG 3.12Å; D862-Q866 PolarHBondContact O-N 3.44Å
863	A	92.9	Very high	93.9	Very high	50 Å²	50	35.5 Å²	35.5	41%	0.413	18%	0.175	S	C	.	.	H	α-helix	trans	-65.5	-32.4	-179.2	0	0	0	0	0	112.9	K861 N867	K861-A863 PolarHBondContact O-N 3.14Å; A863-N867 WeakPolarHBondContact O-CB 3.34Å; A863-N867 PolarHBondContact O-N 3.17Å
864	W	94.1	Very high	93.3	Very high	149 Å²	149	36.3 Å²	36.3	56%	0.564	18%	0.18	S	C	*	.	H	α-helix	trans	-66.6	-42.9	175.8	-179.4	91.3	0	0	0	110.8	Y827 D862 N867 R868	Y827-W864 HydrophobicContact CE2-CZ3 4.25Å; D862-W864 VanDerWaalsContact C-N 3.31Å; D862-W864 PolarHBondContact O-N 3.05Å; D862-W864 VanDerWaalsContact OD1-CA 3.3Å; D862-W864 WeakPolarHBondContact OD1-CA 3.32Å; D862-W864 WeakPolarHBondContact OD1-CB 3.11Å; D862-W864 PolarHBondContact OD1-N 3.12Å; W864-N867 PolarHBondContact O-N 3.06Å; W864-R868 WeakPolarHBondContact O-CB 3.24Å; W864-R868 PolarHBondContact O-N 3.17Å
865	L	94.9	Very high	92.9	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-66.1	-40.4	176.5	-71	177.5	0	0	0	112.8	Y827 W830 T860 D862 R868 L869	Y827-L865 HydrophobicContact CD2-CD2 4.02Å; Y827-L865 HydrophobicContact CE2-CD2 4.09Å; W830-L865 HydrophobicContact CB-CD1 3.94Å; W830-L865 HydrophobicContact CD2-CB 4.46Å; W830-L865 HydrophobicContact CD2-CD1 4.17Å; W830-L865 HydrophobicContact CD2-CD2 3.77Å; W830-L865 HydrophobicContact CD2-CG 4.38Å; W830-L865 HydrophobicContact CE3-CD2 3.77Å; W830-L865 HydrophobicContact CG-CD1 3.73Å; W830-L865 HydrophobicContact CG-CD2 4.21Å; W830-L865 HydrophobicContact CG-CG 4.43Å; W830-L865 HydrophobicContact CZ3-CD2 4.21Å; T860-L865 HydrophobicContact CG2-CB 3.77Å; D862-L865 HydrophobicContact CB-CB 4.1Å; D862-L865 HydrophobicContact CB-CD1 3.92Å; D862-L865 HydrophobicContact CB-CG 4.05Å; D862-L865 PolarHBondContact O-N 3.13Å; D862-L865 PolarHBondContact OD1-N 3.42Å; L865-R868 WeakPolarHBondContact O-CB 3.34Å; L865-R868 PolarHBondContact O-N 2.94Å; L865-L869 PolarHBondContact O-N 3.22Å
866	Q	93.6	Very high	92.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.4	-43.9	172.7	-71.1	175.4	-2.3	0	0	111.3	T860 D862 L869 L870 T891 T893 M897	T860-Q866 HydrophobicContact CG2-CB 4.46Å; T860-Q866 HydrophobicContact CG2-CG 3.56Å; T860-Q866 PolarHBondContact O-NE2 2.61Å; D862-Q866 WeakPolarHBondContact O-CG 3.12Å; D862-Q866 PolarHBondContact O-N 3.44Å; Q866-L869 WeakPolarHBondContact O-CB 3.41Å; Q866-L869 PolarHBondContact O-N 3.16Å; Q866-L870 WeakPolarHBondContact O-CG 3.17Å; Q866-L870 PolarHBondContact O-N 3.4Å; Q866-T891 PolarHBondContact NE2-OG1 2.9Å; Q866-T893 PolarHBondContact NE2-OG1 2.91Å; Q866-T893 VanDerWaalsContact NE2-OG1 3.11Å; Q866-T893 PolarHBondContact OE1-OG1 3.38Å; Q866-M897 HydrophobicContact CB-CE 3.2Å; Q866-M897 HydrophobicContact CG-CE 4.17Å
867	N	93	Very high	92.2	Very high	90 Å²	90	44.1 Å²	44.1	48%	0.481	23%	0.226	S	C	.	.	H	α-helix	trans	-65.2	-39	176.3	-172.6	53.5	0	0	0	112.4	A863 W864 L869 L870 S871 M897	A863-N867 WeakPolarHBondContact O-CB 3.34Å; A863-N867 PolarHBondContact O-N 3.17Å; W864-N867 PolarHBondContact O-N 3.06Å; N867-L869 VanDerWaalsContact C-N 3.31Å; N867-L869 PolarHBondContact O-N 3.44Å; N867-L870 PolarHBondContact O-N 3.33Å; N867-S871 PolarHBondContact O-N 2.93Å; N867-M897 HydrophobicContact CB-SD 3.95Å
868	R	93.2	Very high	91.9	Very high	54 Å²	54	46.2 Å²	46.2	20%	0.204	24%	0.239	C	C	.	.	H	α-helix	trans	-57.2	-46.5	172.1	-179.5	179.9	176.9	-167.5	-2.9	110.4	Y827 W830 W864 L865 S871 H872	Y827-R868 PolarHBondContact OH-NH1 2.77Å; W830-R868 HydrophobicContact CH2-CG 4.35Å; W864-R868 WeakPolarHBondContact O-CB 3.24Å; W864-R868 PolarHBondContact O-N 3.17Å; L865-R868 WeakPolarHBondContact O-CB 3.34Å; L865-R868 PolarHBondContact O-N 2.94Å; R868-S871 PolarHBondContact O-N 3.31Å; R868-S871 PolarHBondContact O-OG 3.05Å; R868-H872 PolarHBondContact O-CD2 2.93Å; R868-H872 VanDerWaalsContact O-CD2 3.32Å
869	L	93.9	Very high	91.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-45.1	177.4	-171.3	57.6	0	0	0	111.8	W830 W834 L857 L865 Q866 N867 S871 H872 V873 V884 I888	W830-L869 HydrophobicContact CZ2-CB 4.22Å; W834-L869 HydrophobicContact CE3-CD1 4.04Å; W834-L869 HydrophobicContact CH2-CD1 4.36Å; W834-L869 HydrophobicContact CZ3-CD1 3.48Å; W834-L869 VanDerWaalsContact CZ3-CD1 3.48Å; L857-L869 HydrophobicContact CB-CD2 3.89Å; L865-L869 PolarHBondContact O-N 3.22Å; Q866-L869 WeakPolarHBondContact O-CB 3.41Å; Q866-L869 PolarHBondContact O-N 3.16Å; N867-L869 VanDerWaalsContact C-N 3.31Å; N867-L869 PolarHBondContact O-N 3.44Å; L869-S871 PolarHBondContact O-N 3.43Å; L869-H872 PolarHBondContact O-N 3.45Å; L869-H872 VanDerWaalsContact O-N 3.08Å; L869-V873 PolarHBondContact O-N 2.8Å; L869-V884 HydrophobicContact CD2-CG1 3.73Å; L869-V884 HydrophobicContact CG-CG1 3.79Å; L869-I888 HydrophobicContact CD2-CD1 4.18Å; L869-I888 HydrophobicContact CG-CD1 4.49Å
870	L	93.6	Very high	91.6	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-57.3	-36.2	176.9	-73.4	172	0	0	0	112.5	Q866 N867 H872 V873 L885 I888 M897 F901	Q866-L870 WeakPolarHBondContact O-CG 3.17Å; Q866-L870 PolarHBondContact O-N 3.4Å; N867-L870 PolarHBondContact O-N 3.33Å; L870-H872 PolarHBondContact O-N 2.79Å; L870-H872 VanDerWaalsContact O-N 3.16Å; L870-V873 HydrophobicContact CD2-CG2 4.32Å; L870-V873 WeakPolarHBondContact O-CB 3.47Å; L870-V873 PolarHBondContact O-N 2.81Å; L870-V873 VanDerWaalsContact O-N 3.09Å; L870-L885 HydrophobicContact CD2-CD2 3.61Å; L870-I888 HydrophobicContact CD2-CD1 3.63Å; L870-I888 HydrophobicContact CG-CD1 3.76Å; L870-M897 HydrophobicContact CD1-CE 4.17Å; L870-M897 HydrophobicContact CD1-CG 3.78Å; L870-M897 HydrophobicContact CD1-SD 4.31Å; L870-F901 HydrophobicContact CB-CD2 3.95Å; L870-F901 HydrophobicContact CB-CE2 4.12Å; L870-F901 HydrophobicContact CB-CG 4.35Å; L870-F901 HydrophobicContact CD1-CB 4.12Å; L870-F901 HydrophobicContact CD1-CG 4.37Å; L870-F901 HydrophobicContact CD2-CB 4.46Å; L870-F901 HydrophobicContact CD2-CD1 4Å; L870-F901 HydrophobicContact CD2-CD2 4.46Å; L870-F901 HydrophobicContact CD2-CE1 4.35Å; L870-F901 HydrophobicContact CD2-CG 4.05Å; L870-F901 HydrophobicContact CG-CG 4.49Å; L870-F901 VanDerWaalsContact O-CE2 3.27Å; L870-F901 WeakPolarHBondContact O-CE2 3.46Å; L870-F901 WeakPolarHBondContact O-CZ 3.42Å
871	S	90.7	Very high	91.5	Very high	74 Å²	74	51.5 Å²	51.5	52%	0.517	26%	0.264	S	S	.	.	H	α-helix	trans	-62.1	-23.4	178.9	79.2	0	0	0	0	113.7	N867 R868 L869	N867-S871 PolarHBondContact O-N 2.93Å; R868-S871 PolarHBondContact O-N 3.31Å; R868-S871 PolarHBondContact O-OG 3.05Å; L869-S871 PolarHBondContact O-N 3.43Å
872	H	89.9	Confident	91.7	Very high	74 Å²	74	48.4 Å²	48.4	34%	0.343	25%	0.254	S	S	.	.	H	α-helix	trans	-94.6	-11.7	176.9	-66.6	-70.4	0	0	0	114.1	W834 R868 L869 L870 T874 M875	W834-H872 HydrophobicContact CH2-CB 3.83Å; W834-H872 AromaticContact CH2-CD2 3.59Å; W834-H872 AromaticContact CH2-CG 3.7Å; W834-H872 HydrophobicContact CZ2-CB 4.48Å; W834-H872 AromaticContact CZ2-CD2 3.51Å; W834-H872 AromaticContact CZ2-CG 3.86Å; W834-H872 AromaticContact CZ2-NE2 3.74Å; R868-H872 PolarHBondContact O-CD2 2.93Å; R868-H872 VanDerWaalsContact O-CD2 3.32Å; L869-H872 PolarHBondContact O-N 3.45Å; L869-H872 VanDerWaalsContact O-N 3.08Å; L870-H872 PolarHBondContact O-N 2.79Å; L870-H872 VanDerWaalsContact O-N 3.16Å; H872-T874 VanDerWaalsContact C-N 3.29Å; H872-T874 PolarHBondContact O-N 2.93Å; H872-M875 PolarHBondContact O-N 3.22Å; H872-M875 VanDerWaalsContact O-N 3.08Å
873	V	88.4	Confident	91.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-36.6	-174.1	169.5	0	0	0	0	112.3	L869 L870 M875 L876 V881 V884 L885 F901	L869-V873 PolarHBondContact O-N 2.8Å; L870-V873 HydrophobicContact CD2-CG2 4.32Å; L870-V873 WeakPolarHBondContact O-CB 3.47Å; L870-V873 PolarHBondContact O-N 2.81Å; L870-V873 VanDerWaalsContact O-N 3.09Å; V873-M875 PolarHBondContact O-N 3.44Å; V873-M875 VanDerWaalsContact O-N 3.11Å; V873-L876 PolarHBondContact O-N 3.18Å; V873-V881 HydrophobicContact CG1-CB 4.18Å; V873-V881 HydrophobicContact CG1-CG1 3.7Å; V873-V881 HydrophobicContact CG1-CG2 3.98Å; V873-V881 WeakPolarHBondContact O-CG2 3.38Å; V873-V884 HydrophobicContact CG2-CB 4.27Å; V873-V884 HydrophobicContact CG2-CG1 3.63Å; V873-L885 HydrophobicContact CG1-CD1 4.48Å; V873-L885 HydrophobicContact CG1-CD2 4.45Å; V873-L885 HydrophobicContact CG1-CG 4.37Å; V873-F901 HydrophobicContact CB-CE1 4.42Å; V873-F901 HydrophobicContact CB-CZ 4.12Å; V873-F901 HydrophobicContact CG1-CE1 4.25Å; V873-F901 HydrophobicContact CG1-CZ 4.36Å
874	T	84.6	Confident	91.9	Very high	17 Å²	17	44.2 Å²	44.2	10%	0.104	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-7	-179	64.5	0	0	0	0	113.9	H872 F901 E908 L909 R912	H872-T874 VanDerWaalsContact C-N 3.29Å; H872-T874 PolarHBondContact O-N 2.93Å; T874-F901 HydrophobicContact CG2-CZ 3.93Å; T874-E908 WeakPolarHBondContact CB-OE1 3.27Å; T874-E908 WeakPolarHBondContact CG2-OE1 3.21Å; T874-E908 PolarHBondContact OG1-OE1 3.46Å; T874-L909 HydrophobicContact CG2-CD2 4.3Å; T874-R912 VanDerWaalsContact C-NH1 3.26Å; T874-R912 PolarHBondContact O-NH1 2.78Å
875	M	86.8	Confident	92	Very high	150 Å²	150	37.1 Å²	37.1	74%	0.739	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-8.2	173.5	-58.9	-63.2	177.8	0	0	113	H872 V873	H872-M875 PolarHBondContact O-N 3.22Å; H872-M875 VanDerWaalsContact O-N 3.08Å; V873-M875 PolarHBondContact O-N 3.44Å; V873-M875 VanDerWaalsContact O-N 3.11Å
876	L	90.1	Very high	92	Very high	9 Å²	9	40.2 Å²	40.2	5%	0.047	21%	0.209	C	C	.	.	S	Bend	trans	-87.7	152.3	-177.2	-59.6	-178.7	0	0	0	112.1	F837 V873 E880 V881 V884 R912	F837-L876 HydrophobicContact CE1-CD2 4.26Å; F837-L876 HydrophobicContact CZ-CD2 3.99Å; V873-L876 PolarHBondContact O-N 3.18Å; L876-E880 HydrophobicContact CB-CB 4.04Å; L876-E880 HydrophobicContact CD1-CB 4.29Å; L876-V881 HydrophobicContact CB-CG2 3.93Å; L876-V881 WeakPolarHBondContact O-CG2 3.38Å; L876-V884 HydrophobicContact CD1-CG2 4.18Å; L876-R912 PolarHBondContact O-NH1 2.94Å
877	P	90.3	Very high	92	Very high	63 Å²	63	40.5 Å²	40.5	41%	0.409	21%	0.212	S	C	.	.			trans	-58.5	155.6	167.1	-21.3	32.7	0	0	0	112.3	E879 E880 V881	P877-E879 VanDerWaalsContact C-N 3.31Å; P877-E879 PolarHBondContact O-N 2.89Å; P877-E880 WeakPolarHBondContact CD-OE2 3.23Å; P877-E880 PolarHBondContact O-N 3.29Å; P877-E880 VanDerWaalsContact O-N 3.12Å; P877-V881 VanDerWaalsContact O-CG2 3.28Å; P877-V881 WeakPolarHBondContact O-CG2 3.08Å; P877-V881 PolarHBondContact O-N 3.23Å
878	T	89.8	Confident	92.2	Very high	44 Å²	44	36.2 Å²	36.2	27%	0.27	19%	0.189	S	C	.	.	H	α-helix	trans	-53.2	-42	-175.1	-51.8	0	0	0	0	114	V881 V882 L913	T878-V881 WeakPolarHBondContact O-CB 3.47Å; T878-V881 PolarHBondContact O-N 3.5Å; T878-V882 VanDerWaalsContact O-CG2 3.32Å; T878-V882 WeakPolarHBondContact O-CG2 3.23Å; T878-V882 PolarHBondContact O-N 3.45Å; T878-L913 HydrophobicContact CG2-CD2 4.18Å; T878-L913 WeakPolarHBondContact OG1-CD2 3.36Å
879	E	89.8	Confident	92.2	Very high	124 Å²	124	33.7 Å²	33.7	58%	0.579	18%	0.18	S	C	*	.	H	α-helix	trans	-66.3	-42.9	-179.7	-62.7	-170.5	164.7	0	0	112.1	F847 P877 V882 Q883	F847-E879 VanDerWaalsContact CZ-OE2 3.26Å; F847-E879 WeakPolarHBondContact CZ-OE2 3.49Å; P877-E879 VanDerWaalsContact C-N 3.31Å; P877-E879 PolarHBondContact O-N 2.89Å; E879-V882 PolarHBondContact O-N 2.89Å; E879-Q883 WeakPolarHBondContact O-CB 3.43Å; E879-Q883 PolarHBondContact O-N 3.34Å
880	E	93.9	Very high	92.1	Very high	5 Å²	5	33.8 Å²	33.8	2%	0.023	18%	0.181	C	C	.	.	H	α-helix	trans	-65.8	-38.9	175.5	-68.4	-172.8	179.4	0	0	111.1	R850 M851 L854 L876 P877 Q883 V884	R850-E880 IonicContact CZ-OE1 2.69Å; R850-E880 VanDerWaalsContact CZ-OE1 3.3Å; R850-E880 IonicContact NE-OE1 3.42Å; R850-E880 PolarHBondContact NE-OE1 2.89Å; R850-E880 VanDerWaalsContact NH2-CD 3.27Å; R850-E880 IonicContact NH2-OE1 2.65Å; R850-E880 PolarHBondContact NH2-OE1 3.47Å; R850-E880 IonicContact NH2-OE2 2.68Å; R850-E880 PolarHBondContact NH2-OE2 3.17Å; M851-E880 HydrophobicContact SD-CG 4.14Å; L854-E880 HydrophobicContact CD1-CB 3.58Å; L854-E880 HydrophobicContact CD1-CG 3.73Å; L876-E880 HydrophobicContact CB-CB 4.04Å; L876-E880 HydrophobicContact CD1-CB 4.29Å; P877-E880 WeakPolarHBondContact CD-OE2 3.23Å; P877-E880 PolarHBondContact O-N 3.29Å; P877-E880 VanDerWaalsContact O-N 3.12Å; E880-Q883 PolarHBondContact O-N 2.87Å; E880-V884 WeakPolarHBondContact O-CG2 3.26Å; E880-V884 PolarHBondContact O-N 2.96Å
881	V	93.9	Very high	92.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58	-53.7	173.5	169.9	0	0	0	0	110.9	V873 L876 P877 T878 Q883 V884 L885 V923	V873-V881 HydrophobicContact CG1-CB 4.18Å; V873-V881 HydrophobicContact CG1-CG1 3.7Å; V873-V881 HydrophobicContact CG1-CG2 3.98Å; V873-V881 WeakPolarHBondContact O-CG2 3.38Å; L876-V881 HydrophobicContact CB-CG2 3.93Å; L876-V881 WeakPolarHBondContact O-CG2 3.38Å; P877-V881 VanDerWaalsContact O-CG2 3.28Å; P877-V881 WeakPolarHBondContact O-CG2 3.08Å; P877-V881 PolarHBondContact O-N 3.23Å; T878-V881 WeakPolarHBondContact O-CB 3.47Å; T878-V881 PolarHBondContact O-N 3.5Å; V881-Q883 PolarHBondContact O-N 3.01Å; V881-V884 PolarHBondContact O-N 2.78Å; V881-L885 HydrophobicContact CG1-CD1 3.66Å; V881-L885 HydrophobicContact CG1-CG 4.38Å; V881-L885 WeakPolarHBondContact O-CB 3.1Å; V881-L885 VanDerWaalsContact O-CG 3.28Å; V881-L885 WeakPolarHBondContact O-CG 3.38Å; V881-L885 PolarHBondContact O-N 3.27Å; V881-V923 HydrophobicContact CG1-CG2 3.81Å
882	V	94.6	Very high	91.9	Very high	35 Å²	35	34.1 Å²	34.1	21%	0.212	18%	0.181	C	C	.	.	H	α-helix	trans	-58.7	-40.9	179.8	167.4	0	0	0	0	110	T878 E879 K886 K922 V923 A926	T878-V882 VanDerWaalsContact O-CG2 3.32Å; T878-V882 WeakPolarHBondContact O-CG2 3.23Å; T878-V882 PolarHBondContact O-N 3.45Å; E879-V882 PolarHBondContact O-N 2.89Å; V882-K886 WeakPolarHBondContact O-CB 3.37Å; V882-K886 PolarHBondContact O-N 2.49Å; V882-K922 HydrophobicContact CG2-CB 3.98Å; V882-V923 HydrophobicContact CG2-CG2 4.13Å; V882-A926 HydrophobicContact CG1-CB 4.14Å
883	Q	95.4	Very high	91.7	Very high	35 Å²	35	34 Å²	34	16%	0.164	19%	0.186	C	C	.	.	H	α-helix	trans	-65.4	-45.4	-179.7	-173.1	54.5	78.7	0	0	113.3	M851 L854 R855 E879 E880 V881 A887	M851-Q883 HydrophobicContact CE-CB 3.54Å; M851-Q883 HydrophobicContact CE-CG 3.67Å; M851-Q883 HydrophobicContact SD-CB 3.99Å; M851-Q883 HydrophobicContact SD-CG 4.04Å; L854-Q883 HydrophobicContact CB-CG 4.33Å; R855-Q883 HydrophobicContact CG-CG 3.85Å; E879-Q883 WeakPolarHBondContact O-CB 3.43Å; E879-Q883 PolarHBondContact O-N 3.34Å; E880-Q883 PolarHBondContact O-N 2.87Å; V881-Q883 PolarHBondContact O-N 3.01Å; Q883-A887 PolarHBondContact O-N 2.98Å; Q883-A887 VanDerWaalsContact O-N 3.08Å
884	V	95.2	Very high	91.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.6	-49.9	177.6	170.3	0	0	0	0	110.7	L854 L869 V873 L876 E880 V881 K886 A887 I888	L854-V884 HydrophobicContact CB-CG2 3.84Å; L854-V884 HydrophobicContact CD1-CG2 3.97Å; L854-V884 HydrophobicContact CD2-CG2 3.54Å; L854-V884 HydrophobicContact CG-CG2 3.96Å; L869-V884 HydrophobicContact CD2-CG1 3.73Å; L869-V884 HydrophobicContact CG-CG1 3.79Å; V873-V884 HydrophobicContact CG2-CB 4.27Å; V873-V884 HydrophobicContact CG2-CG1 3.63Å; L876-V884 HydrophobicContact CD1-CG2 4.18Å; E880-V884 WeakPolarHBondContact O-CG2 3.26Å; E880-V884 PolarHBondContact O-N 2.96Å; V881-V884 PolarHBondContact O-N 2.78Å; V884-K886 VanDerWaalsContact C-N 3.3Å; V884-K886 PolarHBondContact O-N 2.96Å; V884-A887 PolarHBondContact O-N 3.13Å; V884-A887 VanDerWaalsContact O-N 3.1Å; V884-I888 HydrophobicContact CG1-CD1 3.68Å; V884-I888 HydrophobicContact CG1-CG1 4.34Å; V884-I888 WeakPolarHBondContact O-CG1 3.24Å; V884-I888 PolarHBondContact O-N 3.45Å
885	L	95.6	Very high	91.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.2	-39	-178.4	-67.4	174.9	0	0	0	111.6	L870 V873 V881 A887 I888 A889 F901 V923 A926 I927	L870-L885 HydrophobicContact CD2-CD2 3.61Å; V873-L885 HydrophobicContact CG1-CD1 4.48Å; V873-L885 HydrophobicContact CG1-CD2 4.45Å; V873-L885 HydrophobicContact CG1-CG 4.37Å; V881-L885 HydrophobicContact CG1-CD1 3.66Å; V881-L885 HydrophobicContact CG1-CG 4.38Å; V881-L885 WeakPolarHBondContact O-CB 3.1Å; V881-L885 VanDerWaalsContact O-CG 3.28Å; V881-L885 WeakPolarHBondContact O-CG 3.38Å; V881-L885 PolarHBondContact O-N 3.27Å; L885-A887 VanDerWaalsContact C-N 3.32Å; L885-A887 PolarHBondContact O-N 3.49Å; L885-I888 PolarHBondContact O-N 3.47Å; L885-A889 WeakPolarHBondContact O-CB 3.18Å; L885-A889 PolarHBondContact O-N 2.97Å; L885-F901 HydrophobicContact CD2-CD1 4.31Å; L885-F901 HydrophobicContact CD2-CE1 4.39Å; L885-V923 HydrophobicContact CD1-CG1 3.66Å; L885-A926 HydrophobicContact CB-CB 4.08Å; L885-I927 HydrophobicContact CB-CG1 3.99Å; L885-I927 HydrophobicContact CD1-CD1 4.01Å; L885-I927 HydrophobicContact CD1-CG1 4.24Å; L885-I927 HydrophobicContact CD2-CD1 4.21Å; L885-I927 HydrophobicContact CD2-CG1 4.34Å; L885-I927 HydrophobicContact CG-CG1 4.43Å
886	K	94.8	Very high	91.8	Very high	69 Å²	69	29.4 Å²	29.4	30%	0.3	18%	0.175	S	C	.	.	H	α-helix	trans	-61.8	-39.1	174.1	-176.7	173.9	-175.7	179.4	0	112.4	V882 V884 G890 A926 Y930	V882-K886 WeakPolarHBondContact O-CB 3.37Å; V882-K886 PolarHBondContact O-N 2.49Å; V884-K886 VanDerWaalsContact C-N 3.3Å; V884-K886 PolarHBondContact O-N 2.96Å; K886-G890 PolarHBondContact O-N 2.85Å; K886-A926 HydrophobicContact CB-CB 4.41Å; K886-Y930 WeakPolarHBondContact CE-OH 3.41Å; K886-Y930 HydrophobicContact CG-CE2 4.3Å; K886-Y930 WeakPolarHBondContact CG-OH 3.37Å
887	A	95.2	Very high	91.9	Very high	6 Å²	6	30.7 Å²	30.7	5%	0.05	18%	0.181	C	C	.	.	H	α-helix	trans	-69.3	-48.7	178.4	0	0	0	0	0	111.3	Q883 V884 L885 G890	Q883-A887 PolarHBondContact O-N 2.98Å; Q883-A887 VanDerWaalsContact O-N 3.08Å; V884-A887 PolarHBondContact O-N 3.13Å; V884-A887 VanDerWaalsContact O-N 3.1Å; L885-A887 VanDerWaalsContact C-N 3.32Å; L885-A887 PolarHBondContact O-N 3.49Å; A887-G890 PolarHBondContact O-N 2.83Å
888	I	95.8	Very high	92	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.8	-47.4	178.7	-64.3	173.9	0	0	0	110.8	G858 L869 L870 V884 L885 G890 T891 G894 A898	G858-I888 WeakPolarHBondContact O-CA 3.24Å; L869-I888 HydrophobicContact CD2-CD1 4.18Å; L869-I888 HydrophobicContact CG-CD1 4.49Å; L870-I888 HydrophobicContact CD2-CD1 3.63Å; L870-I888 HydrophobicContact CG-CD1 3.76Å; V884-I888 HydrophobicContact CG1-CD1 3.68Å; V884-I888 HydrophobicContact CG1-CG1 4.34Å; V884-I888 WeakPolarHBondContact O-CG1 3.24Å; V884-I888 PolarHBondContact O-N 3.45Å; L885-I888 PolarHBondContact O-N 3.47Å; I888-G890 PolarHBondContact O-N 2.85Å; I888-G890 VanDerWaalsContact O-N 3.14Å; I888-T891 PolarHBondContact O-N 2.92Å; I888-T891 PolarHBondContact O-OG1 3.04Å; I888-G894 CarbonylContact O-C 3.56Å; I888-G894 VanDerWaalsContact O-CA 3.3Å; I888-G894 WeakPolarHBondContact O-CA 3.44Å; I888-A898 HydrophobicContact CG2-CB 4.19Å
889	A	94.1	Very high	92.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-64.1	-21.9	-179.1	0	0	0	0	0	113.5	K738 L885 T891 I927 Y930	K738-A889 PolarHBondContact NZ-O 3Å; L885-A889 WeakPolarHBondContact O-CB 3.18Å; L885-A889 PolarHBondContact O-N 2.97Å; A889-T891 VanDerWaalsContact C-N 3.28Å; A889-T891 PolarHBondContact O-N 2.94Å; A889-I927 WeakPolarHBondContact CB-O 3.35Å; A889-Y930 HydrophobicContact CB-CD2 4.36Å
890	G	91.9	Very high	92.2	Very high	3 Å²	3	28.8 Å²	28.8	3%	0.031	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-10.1	174.7	0	0	0	0	0	114.5	K886 A887 I888	K886-G890 PolarHBondContact O-N 2.85Å; A887-G890 PolarHBondContact O-N 2.83Å; I888-G890 PolarHBondContact O-N 2.85Å; I888-G890 VanDerWaalsContact O-N 3.14Å
891	T	92.2	Very high	92.2	Very high	14 Å²	14	29.8 Å²	29.8	9%	0.086	16%	0.16	C	C	.	.	S	Bend	trans	-92.6	156.1	178.9	74.8	0	0	0	0	111.7	Q866 I888 A889 T893 G894	Q866-T891 PolarHBondContact NE2-OG1 2.9Å; I888-T891 PolarHBondContact O-N 2.92Å; I888-T891 PolarHBondContact O-OG1 3.04Å; A889-T891 VanDerWaalsContact C-N 3.28Å; A889-T891 PolarHBondContact O-N 2.94Å; T891-T893 VanDerWaalsContact C-N 3.31Å; T891-T893 PolarHBondContact O-N 3.35Å; T891-G894 PolarHBondContact O-N 3.41Å; T891-G894 VanDerWaalsContact OG1-CA 3.32Å; T891-G894 WeakPolarHBondContact OG1-CA 3.25Å; T891-G894 PolarHBondContact OG1-N 2.99Å
892	P	87.8	Confident	92.2	Very high	68 Å²	68	29.8 Å²	29.8	44%	0.442	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-36.4	176.6	-25.2	34.4	0	0	0	113.8	K738 Y739	K738-P892 HydrophobicContact CB-CG 4.43Å; Y739-P892 HydrophobicContact CE1-CB 4.1Å; Y739-P892 VanDerWaalsContact CE1-O 3.23Å; Y739-P892 WeakPolarHBondContact CE1-O 3.46Å; Y739-P892 PolarHBondContact OH-O 2.94Å
893	T	86.4	Confident	92.2	Very high	71 Å²	71	31.9 Å²	31.9	44%	0.436	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-25.6	-179.2	48.8	0	0	0	0	113.4	Q866 T891	Q866-T893 PolarHBondContact NE2-OG1 2.91Å; Q866-T893 VanDerWaalsContact NE2-OG1 3.11Å; Q866-T893 PolarHBondContact OE1-OG1 3.38Å; T891-T893 VanDerWaalsContact C-N 3.31Å; T891-T893 PolarHBondContact O-N 3.35Å
894	G	87.3	Confident	92.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-85.8	-25.7	-168.3	0	0	0	0	0	115.3	I888 T891 M897 A898	I888-G894 CarbonylContact O-C 3.56Å; I888-G894 VanDerWaalsContact O-CA 3.3Å; I888-G894 WeakPolarHBondContact O-CA 3.44Å; T891-G894 PolarHBondContact O-N 3.41Å; T891-G894 VanDerWaalsContact OG1-CA 3.32Å; T891-G894 WeakPolarHBondContact OG1-CA 3.25Å; T891-G894 PolarHBondContact OG1-N 2.99Å; G894-M897 PolarHBondContact O-N 2.78Å; G894-A898 VanDerWaalsContact O-CB 3.28Å; G894-A898 WeakPolarHBondContact O-CB 3.46Å; G894-A898 PolarHBondContact O-N 3.18Å
895	G	86.4	Confident	92.1	Very high	13 Å²	13	37.8 Å²	37.8	13%	0.134	21%	0.209	C	C	.	.	H	α-helix	trans	-54.7	-60.6	-179.5	0	0	0	0	0	113.5	M897 A898 C899	G895-M897 VanDerWaalsContact C-N 3.28Å; G895-M897 PolarHBondContact O-N 3.03Å; G895-A898 PolarHBondContact O-N 3.01Å; G895-C899 PolarHBondContact O-N 3.23Å; G895-C899 VanDerWaalsContact O-N 3.07Å
896	A	87.6	Confident	92.1	Very high	58 Å²	58	38 Å²	38	48%	0.479	21%	0.209	S	C	.	.	H	α-helix	trans	-61.9	-36.3	178.5	0	0	0	0	0	112.4	C899 R900	A896-C899 PolarHBondContact O-N 2.92Å; A896-R900 WeakPolarHBondContact O-CG 3.2Å; A896-R900 PolarHBondContact O-N 2.78Å
897	M	91	Very high	92	Very high	36 Å²	36	41.8 Å²	41.8	18%	0.177	23%	0.226	C	C	.	.	H	α-helix	trans	-68.6	-42.5	178.9	-175.2	164.7	58.8	0	0	112.5	Q866 N867 L870 G894 G895 C899 R900 F901	Q866-M897 HydrophobicContact CB-CE 3.2Å; Q866-M897 HydrophobicContact CG-CE 4.17Å; N867-M897 HydrophobicContact CB-SD 3.95Å; L870-M897 HydrophobicContact CD1-CE 4.17Å; L870-M897 HydrophobicContact CD1-CG 3.78Å; L870-M897 HydrophobicContact CD1-SD 4.31Å; G894-M897 PolarHBondContact O-N 2.78Å; G895-M897 VanDerWaalsContact C-N 3.28Å; G895-M897 PolarHBondContact O-N 3.03Å; M897-C899 VanDerWaalsContact C-N 3.3Å; M897-C899 PolarHBondContact O-N 3.34Å; M897-R900 PolarHBondContact O-N 2.83Å; M897-F901 WeakPolarHBondContact O-CB 3.41Å; M897-F901 PolarHBondContact O-N 2.81Å
898	A	92.6	Very high	91.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-37.4	175.8	0	0	0	0	0	111.3	I888 G894 G895 F901 L902 I927	I888-A898 HydrophobicContact CG2-CB 4.19Å; G894-A898 VanDerWaalsContact O-CB 3.28Å; G894-A898 WeakPolarHBondContact O-CB 3.46Å; G894-A898 PolarHBondContact O-N 3.18Å; G895-A898 PolarHBondContact O-N 3.01Å; A898-F901 PolarHBondContact O-N 2.86Å; A898-L902 PolarHBondContact O-N 2.77Å; A898-I927 HydrophobicContact CB-CD1 4.44Å; A898-I927 HydrophobicContact CB-CG1 4.13Å; A898-I927 HydrophobicContact CB-CG2 4.01Å
899	C	92.3	Very high	91.8	Very high	4 Å²	4	45.4 Å²	45.4	3%	0.027	24%	0.242	C	C	.	.	H	α-helix	trans	-65	-47.3	174.6	-166.1	0	0	0	0	112.2	G895 A896 M897 F901 L902 Q903 I927 E939	G895-C899 PolarHBondContact O-N 3.23Å; G895-C899 VanDerWaalsContact O-N 3.07Å; A896-C899 PolarHBondContact O-N 2.92Å; M897-C899 VanDerWaalsContact C-N 3.3Å; M897-C899 PolarHBondContact O-N 3.34Å; C899-F901 VanDerWaalsContact C-N 3.3Å; C899-F901 PolarHBondContact O-N 3.13Å; C899-L902 WeakPolarHBondContact O-CB 3.41Å; C899-L902 PolarHBondContact O-N 2.97Å; C899-L902 VanDerWaalsContact O-N 3.16Å; C899-Q903 WeakPolarHBondContact O-CG 3.5Å; C899-Q903 PolarHBondContact O-N 2.83Å; C899-I927 HydrophobicContact CB-CG2 4.11Å; C899-E939 PolarHBondContact SG-OE1 3.14Å; C899-E939 PolarHBondContact SG-OE2 2.8Å
900	R	92.3	Very high	91.7	Very high	186 Å²	186	47.1 Å²	47.1	70%	0.702	25%	0.25	S	C	*	.	H	α-helix	trans	-57.8	-42.7	173.8	-73.1	175.4	179.7	174	1	112	A896 M897 Q903 A904	A896-R900 WeakPolarHBondContact O-CG 3.2Å; A896-R900 PolarHBondContact O-N 2.78Å; M897-R900 PolarHBondContact O-N 2.83Å; R900-Q903 PolarHBondContact O-N 2.77Å; R900-A904 WeakPolarHBondContact O-CB 3.15Å; R900-A904 PolarHBondContact O-N 2.8Å
901	F	94.2	Very high	91.8	Very high	26 Å²	26	56 Å²	56	11%	0.114	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-47.9	174.9	170.7	-93.8	0	0	0	111.8	L870 V873 T874 L885 M897 A898 C899 Q903 A904 K905 L909	L870-F901 HydrophobicContact CB-CD2 3.95Å; L870-F901 HydrophobicContact CB-CE2 4.12Å; L870-F901 HydrophobicContact CB-CG 4.35Å; L870-F901 HydrophobicContact CD1-CB 4.12Å; L870-F901 HydrophobicContact CD1-CG 4.37Å; L870-F901 HydrophobicContact CD2-CB 4.46Å; L870-F901 HydrophobicContact CD2-CD1 4Å; L870-F901 HydrophobicContact CD2-CD2 4.46Å; L870-F901 HydrophobicContact CD2-CE1 4.35Å; L870-F901 HydrophobicContact CD2-CG 4.05Å; L870-F901 HydrophobicContact CG-CG 4.49Å; L870-F901 VanDerWaalsContact O-CE2 3.27Å; L870-F901 WeakPolarHBondContact O-CE2 3.46Å; L870-F901 WeakPolarHBondContact O-CZ 3.42Å; V873-F901 HydrophobicContact CB-CE1 4.42Å; V873-F901 HydrophobicContact CB-CZ 4.12Å; V873-F901 HydrophobicContact CG1-CE1 4.25Å; V873-F901 HydrophobicContact CG1-CZ 4.36Å; T874-F901 HydrophobicContact CG2-CZ 3.93Å; L885-F901 HydrophobicContact CD2-CD1 4.31Å; L885-F901 HydrophobicContact CD2-CE1 4.39Å; M897-F901 WeakPolarHBondContact O-CB 3.41Å; M897-F901 PolarHBondContact O-N 2.81Å; A898-F901 PolarHBondContact O-N 2.86Å; C899-F901 VanDerWaalsContact C-N 3.3Å; C899-F901 PolarHBondContact O-N 3.13Å; F901-Q903 VanDerWaalsContact C-N 3.35Å; F901-Q903 PolarHBondContact O-N 2.68Å; F901-A904 PolarHBondContact O-N 2.89Å; F901-K905 HydrophobicContact CD2-CG 4.04Å; F901-K905 HydrophobicContact CE2-CG 3.74Å; F901-K905 HydrophobicContact CZ-CB 4.44Å; F901-K905 HydrophobicContact CZ-CG 4.03Å; F901-K905 VanDerWaalsContact O-CB 3.31Å; F901-K905 WeakPolarHBondContact O-CB 3.41Å; F901-K905 PolarHBondContact O-N 3.31Å; F901-L909 HydrophobicContact CE1-CD1 4.38Å
902	L	94.4	Very high	91.8	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.2	-46.2	176.3	171.6	67	0	0	0	111.6	A898 C899 K905 W906 L909 F920 V923 I924 I927 L943	A898-L902 PolarHBondContact O-N 2.77Å; C899-L902 WeakPolarHBondContact O-CB 3.41Å; C899-L902 PolarHBondContact O-N 2.97Å; C899-L902 VanDerWaalsContact O-N 3.16Å; L902-K905 CarbonylContact O-C 3.54Å; L902-K905 PolarHBondContact O-N 3.47Å; L902-W906 HydrophobicContact CD1-CE3 4.34Å; L902-W906 HydrophobicContact CG-CE3 4.34Å; L902-W906 WeakPolarHBondContact O-CA 3.34Å; L902-W906 WeakPolarHBondContact O-CB 3.39Å; L902-W906 PolarHBondContact O-N 3.02Å; L902-L909 HydrophobicContact CD1-CD1 3.96Å; L902-F920 HydrophobicContact CD1-CE2 4.27Å; L902-V923 HydrophobicContact CD1-CG1 4.19Å; L902-I924 HydrophobicContact CD1-CG1 4.45Å; L902-I924 HydrophobicContact CD2-CB 4.48Å; L902-I924 HydrophobicContact CD2-CG1 4.13Å; L902-I924 HydrophobicContact CD2-CG2 4.48Å; L902-I927 HydrophobicContact CB-CD1 3.59Å; L902-I927 HydrophobicContact CD1-CD1 4.45Å; L902-I927 HydrophobicContact CD2-CD1 3.91Å; L902-I927 HydrophobicContact CG-CD1 4.18Å; L902-L943 HydrophobicContact CD2-CD1 4.12Å
903	Q	93.8	Very high	92	Very high	79 Å²	79	57.7 Å²	57.7	37%	0.369	29%	0.285	S	S	.	.	H	α-helix	trans	-63.7	-43.4	179.8	-69.7	175.6	4.5	0	0	111.6	C899 R900 F901 E939 L943	C899-Q903 WeakPolarHBondContact O-CG 3.5Å; C899-Q903 PolarHBondContact O-N 2.83Å; R900-Q903 PolarHBondContact O-N 2.77Å; F901-Q903 VanDerWaalsContact C-N 3.35Å; F901-Q903 PolarHBondContact O-N 2.68Å; Q903-E939 PolarHBondContact NE2-OE1 2.75Å; Q903-E939 VanDerWaalsContact NE2-OE1 3.09Å; Q903-L943 HydrophobicContact CG-CD2 4.3Å
904	A	94.8	Very high	92.1	Very high	84 Å²	84	55.1 Å²	55.1	69%	0.694	27%	0.272	S	S	*	.	H	α-helix	trans	-67.1	-36.3	177.8	0	0	0	0	0	112.8	R900 F901	R900-A904 WeakPolarHBondContact O-CB 3.15Å; R900-A904 PolarHBondContact O-N 2.8Å; F901-A904 PolarHBondContact O-N 2.89Å
905	K	94.4	Very high	92.3	Very high	76 Å²	76	59.8 Å²	59.8	33%	0.33	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	11.4	-178.3	-63.2	-54.1	-157.9	159.5	0	114	F901 L902 F907 E908 L909	F901-K905 HydrophobicContact CD2-CG 4.04Å; F901-K905 HydrophobicContact CE2-CG 3.74Å; F901-K905 HydrophobicContact CZ-CB 4.44Å; F901-K905 HydrophobicContact CZ-CG 4.03Å; F901-K905 VanDerWaalsContact O-CB 3.31Å; F901-K905 WeakPolarHBondContact O-CB 3.41Å; F901-K905 PolarHBondContact O-N 3.31Å; L902-K905 CarbonylContact O-C 3.54Å; L902-K905 PolarHBondContact O-N 3.47Å; K905-F907 PolarHBondContact O-N 2.91Å; K905-E908 WeakPolarHBondContact CD-OE2 3.36Å; K905-E908 IonicContact NZ-OE2 3.75Å; K905-E908 PolarHBondContact NZ-OE2 2.84Å; K905-E908 PolarHBondContact O-N 2.87Å; K905-E908 VanDerWaalsContact O-N 3.11Å; K905-L909 HydrophobicContact CB-CD1 4.11Å; K905-L909 HydrophobicContact CB-CG 4.3Å; K905-L909 PolarHBondContact O-N 3.42Å
906	W	94.7	Very high	92.4	Very high	3 Å²	3	59.4 Å²	59.4	1%	0.011	30%	0.299	C	S	.	.	H	α-helix	trans	-50.3	-56.6	-172.6	178.5	-80.9	0	0	0	112.3	L902 E908 L909 E910 F920 I924 L943 R946 F947	L902-W906 HydrophobicContact CD1-CE3 4.34Å; L902-W906 HydrophobicContact CG-CE3 4.34Å; L902-W906 WeakPolarHBondContact O-CA 3.34Å; L902-W906 WeakPolarHBondContact O-CB 3.39Å; L902-W906 PolarHBondContact O-N 3.02Å; W906-E908 VanDerWaalsContact C-N 3.32Å; W906-E908 PolarHBondContact O-N 2.87Å; W906-L909 PolarHBondContact O-N 2.94Å; W906-E910 PolarHBondContact NE1-OE2 3Å; W906-E910 VanDerWaalsContact O-CB 3.24Å; W906-E910 WeakPolarHBondContact O-CB 3.36Å; W906-E910 PolarHBondContact O-N 3.31Å; W906-F920 HydrophobicContact CD2-CE1 4.42Å; W906-F920 AromaticContact CD2-CZ 3.84Å; W906-F920 HydrophobicContact CD2-CZ 3.84Å; W906-F920 AromaticContact CE2-CE1 3.88Å; W906-F920 AromaticContact CE2-CZ 3.77Å; W906-F920 AromaticContact CE3-CZ 3.94Å; W906-F920 HydrophobicContact CE3-CZ 3.94Å; W906-F920 HydrophobicContact CG-CZ 4.47Å; W906-F920 HydrophobicContact CH2-CE1 4.01Å; W906-F920 AromaticContact CH2-CZ 4Å; W906-F920 HydrophobicContact CH2-CZ 4Å; W906-F920 AromaticContact CZ2-CE1 3.67Å; W906-F920 HydrophobicContact CZ2-CE1 3.67Å; W906-F920 AromaticContact CZ2-CZ 3.87Å; W906-F920 HydrophobicContact CZ2-CZ 3.87Å; W906-F920 HydrophobicContact CZ3-CE1 4.48Å; W906-F920 HydrophobicContact CZ3-CZ 4.01Å; W906-I924 HydrophobicContact CH2-CD1 3.75Å; W906-I924 HydrophobicContact CZ3-CD1 3.9Å; W906-I924 HydrophobicContact CZ3-CG1 4.31Å; W906-L943 HydrophobicContact CE3-CD2 4.43Å; W906-L943 HydrophobicContact CZ3-CD2 3.96Å; W906-R946 HydrophobicContact CH2-CB 4.29Å; W906-R946 HydrophobicContact CH2-CG 4.16Å; W906-R946 HydrophobicContact CZ2-CB 4.24Å; W906-R946 HydrophobicContact CZ2-CG 3.7Å; W906-F947 HydrophobicContact CH2-CB 4.26Å
907	F	93.9	Very high	92.7	Very high	149 Å²	149	58.7 Å²	58.7	65%	0.654	29%	0.289	S	S	*	.	H	α-helix	trans	-65.8	-33.7	-176.4	-65	-66.7	0	0	0	112.8	K905 K911	K905-F907 PolarHBondContact O-N 2.91Å; F907-K911 WeakPolarHBondContact O-CB 3.19Å; F907-K911 PolarHBondContact O-N 3.17Å
908	E	93.3	Very high	92.6	Very high	81 Å²	81	60.4 Å²	60.4	38%	0.379	30%	0.298	S	S	.	.	H	α-helix	trans	-67	-46.8	176.9	-172.4	-176.5	151.4	0	0	110.7	T874 K905 W906 R912	T874-E908 WeakPolarHBondContact CB-OE1 3.27Å; T874-E908 WeakPolarHBondContact CG2-OE1 3.21Å; T874-E908 PolarHBondContact OG1-OE1 3.46Å; K905-E908 WeakPolarHBondContact CD-OE2 3.36Å; K905-E908 IonicContact NZ-OE2 3.75Å; K905-E908 PolarHBondContact NZ-OE2 2.84Å; K905-E908 PolarHBondContact O-N 2.87Å; K905-E908 VanDerWaalsContact O-N 3.11Å; W906-E908 VanDerWaalsContact C-N 3.32Å; W906-E908 PolarHBondContact O-N 2.87Å; E908-R912 WeakPolarHBondContact O-CB 3.34Å; E908-R912 PolarHBondContact O-N 2.97Å; E908-R912 VanDerWaalsContact O-N 3.14Å
909	L	91.8	Very high	92.5	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-67.5	-43.6	178.3	-70.7	170.4	0	0	0	111.9	T874 F901 L902 K905 W906 R912 L913 F920 V923	T874-L909 HydrophobicContact CG2-CD2 4.3Å; F901-L909 HydrophobicContact CE1-CD1 4.38Å; L902-L909 HydrophobicContact CD1-CD1 3.96Å; K905-L909 HydrophobicContact CB-CD1 4.11Å; K905-L909 HydrophobicContact CB-CG 4.3Å; K905-L909 PolarHBondContact O-N 3.42Å; W906-L909 PolarHBondContact O-N 2.94Å; L909-R912 PolarHBondContact O-N 3.15Å; L909-L913 VanDerWaalsContact O-CB 3.29Å; L909-L913 WeakPolarHBondContact O-CB 3.29Å; L909-L913 WeakPolarHBondContact O-CG 3.08Å; L909-L913 PolarHBondContact O-N 3.12Å; L909-F920 HydrophobicContact CB-CD2 4.42Å; L909-F920 HydrophobicContact CB-CE2 3.91Å; L909-V923 HydrophobicContact CD1-CG1 4.39Å
910	E	93.4	Very high	92.6	Very high	38 Å²	38	62.4 Å²	62.4	18%	0.178	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-45.3	177.6	-176.8	172.1	-139.9	0	0	111.5	W906 R912 G914 P915 F920	W906-E910 PolarHBondContact NE1-OE2 3Å; W906-E910 VanDerWaalsContact O-CB 3.24Å; W906-E910 WeakPolarHBondContact O-CB 3.36Å; W906-E910 PolarHBondContact O-N 3.31Å; E910-R912 VanDerWaalsContact C-N 3.28Å; E910-R912 PolarHBondContact O-N 3.46Å; E910-G914 CarbonylContact O-C 3.55Å; E910-G914 VanDerWaalsContact O-C 3.26Å; E910-G914 VanDerWaalsContact O-CA 3.22Å; E910-G914 WeakPolarHBondContact O-CA 3.32Å; E910-G914 PolarHBondContact O-N 3.5Å; E910-P915 HydrophobicContact CG-CB 4.05Å; E910-F920 HydrophobicContact CB-CD1 4.23Å; E910-F920 HydrophobicContact CB-CE1 3.7Å; E910-F920 HydrophobicContact CB-CZ 3.87Å; E910-F920 HydrophobicContact CG-CD1 4.18Å; E910-F920 HydrophobicContact CG-CE1 3.87Å
911	K	93.3	Very high	92.7	Very high	190 Å²	190	53.6 Å²	53.6	83%	0.826	28%	0.279	S	S	*	.	H	α-helix	trans	-60.7	-38.5	176.6	-177	178.8	178.8	-178.3	0	111.9	F907	F907-K911 WeakPolarHBondContact O-CB 3.19Å; F907-K911 PolarHBondContact O-N 3.17Å
912	R	92.8	Very high	92.7	Very high	96 Å²	96	57.5 Å²	57.5	36%	0.362	30%	0.296	S	S	.	.	H	α-helix	trans	-77.5	-42.7	-178.4	-173.3	179.7	68.2	144.7	6.9	113	T874 L876 E908 L909 E910	T874-R912 VanDerWaalsContact C-NH1 3.26Å; T874-R912 PolarHBondContact O-NH1 2.78Å; L876-R912 PolarHBondContact O-NH1 2.94Å; E908-R912 WeakPolarHBondContact O-CB 3.34Å; E908-R912 PolarHBondContact O-N 2.97Å; E908-R912 VanDerWaalsContact O-N 3.14Å; L909-R912 PolarHBondContact O-N 3.15Å; E910-R912 VanDerWaalsContact C-N 3.28Å; E910-R912 PolarHBondContact O-N 3.46Å
913	L	90.9	Very high	92.7	Very high	20 Å²	20	57.5 Å²	57.5	11%	0.105	30%	0.296	C	S	.	.	H	α-helix	trans	-91.6	-11.3	-174.4	-60.7	175.6	0	0	0	112.9	T878 L909 T917 F920 V923	T878-L913 HydrophobicContact CG2-CD2 4.18Å; T878-L913 WeakPolarHBondContact OG1-CD2 3.36Å; L909-L913 VanDerWaalsContact O-CB 3.29Å; L909-L913 WeakPolarHBondContact O-CB 3.29Å; L909-L913 WeakPolarHBondContact O-CG 3.08Å; L909-L913 PolarHBondContact O-N 3.12Å; L913-T917 WeakPolarHBondContact O-CG2 3.46Å; L913-T917 PolarHBondContact O-OG1 2.94Å; L913-F920 HydrophobicContact CB-CB 4.01Å; L913-F920 HydrophobicContact CD1-CB 4.45Å; L913-F920 HydrophobicContact CD1-CD2 4.11Å; L913-V923 HydrophobicContact CD1-CB 4.43Å; L913-V923 HydrophobicContact CD1-CG2 3.63Å
914	G	89.1	Confident	92.8	Very high	17 Å²	17	53.8 Å²	53.8	18%	0.175	28%	0.278	C	S	.	.			trans	89.5	138.2	-177.4	0	0	0	0	0	112.4	E910 T917	E910-G914 CarbonylContact O-C 3.55Å; E910-G914 VanDerWaalsContact O-C 3.26Å; E910-G914 VanDerWaalsContact O-CA 3.22Å; E910-G914 WeakPolarHBondContact O-CA 3.32Å; E910-G914 PolarHBondContact O-N 3.5Å; G914-T917 WeakPolarHBondContact O-CG2 3.11Å; G914-T917 PolarHBondContact O-OG1 2.94Å; G914-T917 VanDerWaalsContact O-OG1 3.06Å
915	P	90.7	Very high	92.8	Very high	98 Å²	98	50.4 Å²	50.4	64%	0.636	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	138.8	175.8	28.9	-34.5	0	0	0	110.7	E910 T917	E910-P915 HydrophobicContact CG-CB 4.05Å; P915-T917 PolarHBondContact O-N 2.87Å; P915-T917 VanDerWaalsContact O-N 3.17Å
916	G	90.3	Very high	92.8	Very high	6 Å²	6	46.9 Å²	46.9	6%	0.062	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	5.8	177.2	0	0	0	0	0	115.8	F947 G950 H951 G952	G916-F947 VanDerWaalsContact C-CZ 3.4Å; G916-G950 CarbonylContact O-C 3.58Å; G916-G950 VanDerWaalsContact O-C 3.31Å; G916-G950 WeakPolarHBondContact O-CA 3.45Å; G916-H951 PolarHBondContact O-N 2.88Å; G916-G952 PolarHBondContact O-N 2.78Å
917	T	92.4	Very high	92.9	Very high	42 Å²	42	47.2 Å²	47.2	26%	0.258	24%	0.237	S	C	.	.			trans	-81.5	158.1	-174.8	69.2	0	0	0	0	113.3	L913 G914 P915 S919 F920 A921	L913-T917 WeakPolarHBondContact O-CG2 3.46Å; L913-T917 PolarHBondContact O-OG1 2.94Å; G914-T917 WeakPolarHBondContact O-CG2 3.11Å; G914-T917 PolarHBondContact O-OG1 2.94Å; G914-T917 VanDerWaalsContact O-OG1 3.06Å; P915-T917 PolarHBondContact O-N 2.87Å; P915-T917 VanDerWaalsContact O-N 3.17Å; T917-S919 VanDerWaalsContact C-N 3.28Å; T917-S919 PolarHBondContact O-N 3.47Å; T917-F920 PolarHBondContact O-N 3.16Å; T917-F920 PolarHBondContact OG1-N 3.05Å; T917-A921 PolarHBondContact O-N 3.03Å; T917-A921 VanDerWaalsContact O-N 3.07Å
918	I	88.6	Confident	92.9	Very high	72 Å²	72	40.7 Å²	40.7	37%	0.369	21%	0.209	S	C	.	.	H	α-helix	trans	-60.8	-39	172.7	-64.3	171.7	0	0	0	110.8	F920 A921 K922 H951 V955	I918-F920 PolarHBondContact O-N 2.97Å; I918-A921 PolarHBondContact O-N 2.89Å; I918-K922 HydrophobicContact CG2-CD 4.29Å; I918-K922 HydrophobicContact CG2-CG 4.37Å; I918-K922 WeakPolarHBondContact O-CG 3.33Å; I918-K922 PolarHBondContact O-N 2.93Å; I918-H951 HydrophobicContact CG1-CB 4.25Å; I918-V955 HydrophobicContact CG2-CG2 4.19Å
919	S	90.4	Very high	92.9	Very high	47 Å²	47	38.9 Å²	38.9	33%	0.329	20%	0.201	S	C	.	.	H	α-helix	trans	-59.3	-44.8	178.5	-64	0	0	0	0	112.1	T917 K922 V923	T917-S919 VanDerWaalsContact C-N 3.28Å; T917-S919 PolarHBondContact O-N 3.47Å; S919-K922 PolarHBondContact O-N 3.05Å; S919-V923 PolarHBondContact O-N 3.05Å
920	F	94.9	Very high	93	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-71.1	-39.6	177.9	-172	-143.1	0	0	0	112	L902 W906 L909 E910 L913 T917 I918 K922 V923 I924 F947	L902-F920 HydrophobicContact CD1-CE2 4.27Å; W906-F920 HydrophobicContact CD2-CE1 4.42Å; W906-F920 AromaticContact CD2-CZ 3.84Å; W906-F920 HydrophobicContact CD2-CZ 3.84Å; W906-F920 AromaticContact CE2-CE1 3.88Å; W906-F920 AromaticContact CE2-CZ 3.77Å; W906-F920 AromaticContact CE3-CZ 3.94Å; W906-F920 HydrophobicContact CE3-CZ 3.94Å; W906-F920 HydrophobicContact CG-CZ 4.47Å; W906-F920 HydrophobicContact CH2-CE1 4.01Å; W906-F920 AromaticContact CH2-CZ 4Å; W906-F920 HydrophobicContact CH2-CZ 4Å; W906-F920 AromaticContact CZ2-CE1 3.67Å; W906-F920 HydrophobicContact CZ2-CE1 3.67Å; W906-F920 AromaticContact CZ2-CZ 3.87Å; W906-F920 HydrophobicContact CZ2-CZ 3.87Å; W906-F920 HydrophobicContact CZ3-CE1 4.48Å; W906-F920 HydrophobicContact CZ3-CZ 4.01Å; L909-F920 HydrophobicContact CB-CD2 4.42Å; L909-F920 HydrophobicContact CB-CE2 3.91Å; E910-F920 HydrophobicContact CB-CD1 4.23Å; E910-F920 HydrophobicContact CB-CE1 3.7Å; E910-F920 HydrophobicContact CB-CZ 3.87Å; E910-F920 HydrophobicContact CG-CD1 4.18Å; E910-F920 HydrophobicContact CG-CE1 3.87Å; L913-F920 HydrophobicContact CB-CB 4.01Å; L913-F920 HydrophobicContact CD1-CB 4.45Å; L913-F920 HydrophobicContact CD1-CD2 4.11Å; T917-F920 PolarHBondContact O-N 3.16Å; T917-F920 PolarHBondContact OG1-N 3.05Å; I918-F920 PolarHBondContact O-N 2.97Å; F920-K922 VanDerWaalsContact C-N 3.31Å; F920-K922 PolarHBondContact O-N 3.38Å; F920-V923 WeakPolarHBondContact O-CB 3.47Å; F920-V923 PolarHBondContact O-N 2.87Å; F920-V923 VanDerWaalsContact O-N 3.08Å; F920-I924 HydrophobicContact CE1-CD1 4.32Å; F920-I924 HydrophobicContact CE2-CG1 4.47Å; F920-I924 HydrophobicContact CZ-CD1 4.35Å; F920-I924 PolarHBondContact O-N 3.37Å; F920-I924 VanDerWaalsContact O-N 3.16Å; F920-F947 HydrophobicContact CB-CE2 4.21Å; F920-F947 AromaticContact CD1-CD2 3.75Å; F920-F947 HydrophobicContact CD1-CD2 3.75Å; F920-F947 AromaticContact CD1-CE2 3.58Å; F920-F947 HydrophobicContact CD1-CE2 3.58Å; F920-F947 HydrophobicContact CE1-CD2 4.04Å; F920-F947 HydrophobicContact CE1-CE2 4.33Å; F920-F947 HydrophobicContact CG-CE2 4.2Å
921	A	94.4	Very high	93	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.6	-39.8	173.1	0	0	0	0	0	113	T917 I918 V923 I924 S925 F947 G952 V955 L956	T917-A921 PolarHBondContact O-N 3.03Å; T917-A921 VanDerWaalsContact O-N 3.07Å; I918-A921 PolarHBondContact O-N 2.89Å; A921-V923 VanDerWaalsContact C-N 3.28Å; A921-V923 PolarHBondContact O-N 2.8Å; A921-I924 PolarHBondContact O-N 3.49Å; A921-S925 WeakPolarHBondContact O-CB 3.23Å; A921-S925 PolarHBondContact O-N 3.31Å; A921-F947 HydrophobicContact CB-CE2 4.29Å; A921-F947 HydrophobicContact CB-CZ 4.09Å; A921-G952 VanDerWaalsContact CB-O 3.24Å; A921-G952 WeakPolarHBondContact CB-O 3.46Å; A921-V955 HydrophobicContact CB-CB 4.03Å; A921-V955 HydrophobicContact CB-CG1 4.26Å; A921-L956 HydrophobicContact CB-CD1 4.36Å; A921-L956 HydrophobicContact CB-CD2 4.06Å; A921-L956 HydrophobicContact CB-CG 3.84Å
922	K	93.9	Very high	93	Very high	109 Å²	109	29.9 Å²	29.9	47%	0.474	17%	0.166	S	C	.	.	H	α-helix	trans	-61	-35.1	174.7	-77.1	178.6	176	-177.2	0	112.5	V882 I918 S919 F920 A926	V882-K922 HydrophobicContact CG2-CB 3.98Å; I918-K922 HydrophobicContact CG2-CD 4.29Å; I918-K922 HydrophobicContact CG2-CG 4.37Å; I918-K922 WeakPolarHBondContact O-CG 3.33Å; I918-K922 PolarHBondContact O-N 2.93Å; S919-K922 PolarHBondContact O-N 3.05Å; F920-K922 VanDerWaalsContact C-N 3.31Å; F920-K922 PolarHBondContact O-N 3.38Å; K922-A926 WeakPolarHBondContact O-CB 3.16Å; K922-A926 PolarHBondContact O-N 3.39Å
923	V	95.3	Very high	93	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-66.8	-46.8	175.6	168.7	0	0	0	0	111.3	V881 V882 L885 L902 L909 L913 S919 F920 A921 S925 A926	V881-V923 HydrophobicContact CG1-CG2 3.81Å; V882-V923 HydrophobicContact CG2-CG2 4.13Å; L885-V923 HydrophobicContact CD1-CG1 3.66Å; L902-V923 HydrophobicContact CD1-CG1 4.19Å; L909-V923 HydrophobicContact CD1-CG1 4.39Å; L913-V923 HydrophobicContact CD1-CB 4.43Å; L913-V923 HydrophobicContact CD1-CG2 3.63Å; S919-V923 PolarHBondContact O-N 3.05Å; F920-V923 WeakPolarHBondContact O-CB 3.47Å; F920-V923 PolarHBondContact O-N 2.87Å; F920-V923 VanDerWaalsContact O-N 3.08Å; A921-V923 VanDerWaalsContact C-N 3.28Å; A921-V923 PolarHBondContact O-N 2.8Å; V923-S925 VanDerWaalsContact C-N 3.34Å; V923-S925 PolarHBondContact O-N 2.92Å; V923-A926 WeakPolarHBondContact O-CB 3.26Å; V923-A926 PolarHBondContact O-N 3.2Å
924	I	96	Very high	93	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.9	-46.5	176.2	-60.5	168.9	0	0	0	110	L902 W906 F920 A921 A926 I927 T928 L940 L943 F947 L956	L902-I924 HydrophobicContact CD1-CG1 4.45Å; L902-I924 HydrophobicContact CD2-CB 4.48Å; L902-I924 HydrophobicContact CD2-CG1 4.13Å; L902-I924 HydrophobicContact CD2-CG2 4.48Å; W906-I924 HydrophobicContact CH2-CD1 3.75Å; W906-I924 HydrophobicContact CZ3-CD1 3.9Å; W906-I924 HydrophobicContact CZ3-CG1 4.31Å; F920-I924 HydrophobicContact CE1-CD1 4.32Å; F920-I924 HydrophobicContact CE2-CG1 4.47Å; F920-I924 HydrophobicContact CZ-CD1 4.35Å; F920-I924 PolarHBondContact O-N 3.37Å; F920-I924 VanDerWaalsContact O-N 3.16Å; A921-I924 PolarHBondContact O-N 3.49Å; I924-A926 VanDerWaalsContact C-N 3.32Å; I924-A926 PolarHBondContact O-N 3.18Å; I924-I927 PolarHBondContact O-N 3.24Å; I924-T928 PolarHBondContact O-N 3.49Å; I924-T928 VanDerWaalsContact O-N 3.15Å; I924-T928 PolarHBondContact O-OG1 3.42Å; I924-L940 HydrophobicContact CG2-CD1 4.11Å; I924-L943 HydrophobicContact CG2-CB 4.37Å; I924-L943 HydrophobicContact CG2-CD1 4.37Å; I924-F947 HydrophobicContact CD1-CD2 3.63Å; I924-F947 HydrophobicContact CD1-CE2 4.24Å; I924-F947 HydrophobicContact CD1-CG 4.42Å; I924-L956 HydrophobicContact CB-CD2 3.85Å; I924-L956 HydrophobicContact CD1-CD1 4.36Å; I924-L956 HydrophobicContact CD1-CD2 4.31Å; I924-L956 HydrophobicContact CG2-CD2 3.78Å
925	S	94.8	Very high	93.1	Very high	13 Å²	13	35.7 Å²	35.7	9%	0.091	19%	0.194	C	C	.	.	H	α-helix	trans	-63.2	-36.2	177.6	-176.4	0	0	0	0	112.7	A921 V923 I927 T928 Q929 T959	A921-S925 WeakPolarHBondContact O-CB 3.23Å; A921-S925 PolarHBondContact O-N 3.31Å; V923-S925 VanDerWaalsContact C-N 3.34Å; V923-S925 PolarHBondContact O-N 2.92Å; S925-I927 PolarHBondContact O-N 3.34Å; S925-T928 PolarHBondContact O-N 2.9Å; S925-Q929 WeakPolarHBondContact O-CB 2.94Å; S925-Q929 WeakPolarHBondContact O-CG 3.37Å; S925-Q929 PolarHBondContact O-N 2.98Å; S925-T959 VanDerWaalsContact CB-OG1 3.22Å; S925-T959 WeakPolarHBondContact CB-OG1 3.38Å; S925-T959 PolarHBondContact OG-OG1 2.96Å
926	A	95	Very high	93.2	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.017	17%	0.173	C	C	.	.	H	α-helix	trans	-57.4	-36.9	180	0	0	0	0	0	111.8	V882 L885 K886 K922 V923 I924 Q929	V882-A926 HydrophobicContact CG1-CB 4.14Å; L885-A926 HydrophobicContact CB-CB 4.08Å; K886-A926 HydrophobicContact CB-CB 4.41Å; K922-A926 WeakPolarHBondContact O-CB 3.16Å; K922-A926 PolarHBondContact O-N 3.39Å; V923-A926 WeakPolarHBondContact O-CB 3.26Å; V923-A926 PolarHBondContact O-N 3.2Å; I924-A926 VanDerWaalsContact C-N 3.32Å; I924-A926 PolarHBondContact O-N 3.18Å; A926-Q929 PolarHBondContact O-NE2 3.38Å; A926-Q929 VanDerWaalsContact O-NE2 3.1Å
927	I	94.9	Very high	93.4	Very high	11 Å²	11	34.3 Å²	34.3	6%	0.056	18%	0.177	C	C	.	.	H	α-helix	trans	-81.9	-41.7	-177.5	-64.3	170.1	0	0	0	111.8	L885 A889 A898 C899 L902 I924 S925	L885-I927 HydrophobicContact CB-CG1 3.99Å; L885-I927 HydrophobicContact CD1-CD1 4.01Å; L885-I927 HydrophobicContact CD1-CG1 4.24Å; L885-I927 HydrophobicContact CD2-CD1 4.21Å; L885-I927 HydrophobicContact CD2-CG1 4.34Å; L885-I927 HydrophobicContact CG-CG1 4.43Å; A889-I927 WeakPolarHBondContact CB-O 3.35Å; A898-I927 HydrophobicContact CB-CD1 4.44Å; A898-I927 HydrophobicContact CB-CG1 4.13Å; A898-I927 HydrophobicContact CB-CG2 4.01Å; C899-I927 HydrophobicContact CB-CG2 4.11Å; L902-I927 HydrophobicContact CB-CD1 3.59Å; L902-I927 HydrophobicContact CD1-CD1 4.45Å; L902-I927 HydrophobicContact CD2-CD1 3.91Å; L902-I927 HydrophobicContact CG-CD1 4.18Å; I924-I927 PolarHBondContact O-N 3.24Å; S925-I927 PolarHBondContact O-N 3.34Å
928	T	94.9	Very high	93.5	Very high	12 Å²	12	35.6 Å²	35.6	7%	0.074	18%	0.183	C	C	.	.	H	α-helix	trans	-97.9	-17.9	-165.3	53	0	0	0	0	114.7	I924 S925 Y930 G931 L940 L943 V963	I924-T928 PolarHBondContact O-N 3.49Å; I924-T928 VanDerWaalsContact O-N 3.15Å; I924-T928 PolarHBondContact O-OG1 3.42Å; S925-T928 PolarHBondContact O-N 2.9Å; T928-Y930 PolarHBondContact O-N 3.04Å; T928-G931 PolarHBondContact O-N 3.05Å; T928-L940 HydrophobicContact CG2-CB 4.45Å; T928-L940 HydrophobicContact CG2-CD1 4.07Å; T928-L940 WeakPolarHBondContact OG1-CD1 3.31Å; T928-L943 HydrophobicContact CG2-CD1 4.03Å; T928-V963 VanDerWaalsContact O-CG2 3.3Å; T928-V963 WeakPolarHBondContact O-CG2 3.29Å
929	Q	92.8	Very high	93.8	Very high	43 Å²	43	34.6 Å²	34.6	20%	0.201	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-19.4	-172.9	67	-169.2	-49.6	0	0	116.2	S925 A926 T959 N966	S925-Q929 WeakPolarHBondContact O-CB 2.94Å; S925-Q929 WeakPolarHBondContact O-CG 3.37Å; S925-Q929 PolarHBondContact O-N 2.98Å; A926-Q929 PolarHBondContact O-NE2 3.38Å; A926-Q929 VanDerWaalsContact O-NE2 3.1Å; Q929-T959 HydrophobicContact CB-CG2 4.24Å; Q929-N966 PolarHBondContact O-ND2 3.37Å; Q929-N966 VanDerWaalsContact O-ND2 3.16Å
930	Y	93.8	Very high	94	Very high	16 Å²	16	32.4 Å²	32.4	6%	0.063	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	5.9	178.6	-49.3	-58.8	0	0	0	113.2	R735 K886 A889 T928 A932	R735-Y930 HydrophobicContact CB-CD1 3.75Å; R735-Y930 HydrophobicContact CB-CE1 4.13Å; R735-Y930 HydrophobicContact CB-CG 4.02Å; R735-Y930 VanDerWaalsContact CD-CZ 3.4Å; R735-Y930 HydrophobicContact CG-CD1 4.49Å; R735-Y930 HydrophobicContact CG-CE1 4.43Å; R735-Y930 PolarHBondContact NH1-OH 3.15Å; K886-Y930 WeakPolarHBondContact CE-OH 3.41Å; K886-Y930 HydrophobicContact CG-CE2 4.3Å; K886-Y930 WeakPolarHBondContact CG-OH 3.37Å; A889-Y930 HydrophobicContact CB-CD2 4.36Å; T928-Y930 PolarHBondContact O-N 3.04Å; Y930-A932 PolarHBondContact O-N 2.68Å
931	G	93.6	Very high	94	Very high	9 Å²	9	37.9 Å²	37.9	9%	0.093	19%	0.185	C	C	.	.			trans	-53.9	136.6	172.1	0	0	0	0	0	110.4	T928 N966	T928-G931 PolarHBondContact O-N 3.05Å; G931-N966 WeakPolarHBondContact O-CB 3.48Å; G931-N966 PolarHBondContact O-ND2 3.31Å
932	A	93.5	Very high	94	Very high	14 Å²	14	41.6 Å²	41.6	12%	0.116	21%	0.211	C	C	.	.			trans	-141.9	1.7	-171.3	0	0	0	0	0	112.9	I736 Y930 D936 V970	I736-A932 HydrophobicContact CG2-CB 3.78Å; Y930-A932 PolarHBondContact O-N 2.68Å; A932-D936 PolarHBondContact N-OD2 2.88Å; A932-V970 HydrophobicContact CB-CG2 4.1Å
933	T	92.1	Very high	94.1	Very high	64 Å²	64	36.8 Å²	36.8	39%	0.393	19%	0.19	S	C	.	.	S	Bend	trans	-115.6	159.5	173.4	67.7	0	0	0	0	110.9	F935 D936 Y937 V967	T933-F935 PolarHBondContact O-N 3.45Å; T933-D936 PolarHBondContact N-OD2 2.65Å; T933-D936 WeakPolarHBondContact O-CB 3.45Å; T933-D936 PolarHBondContact O-N 2.93Å; T933-D936 VanDerWaalsContact O-N 3.1Å; T933-D936 PolarHBondContact OG1-N 3.25Å; T933-D936 PolarHBondContact OG1-OD2 2.57Å; T933-Y937 PolarHBondContact O-N 3.11Å; T933-Y937 VanDerWaalsContact O-N 3.16Å; T933-V967 VanDerWaalsContact C-CG2 3.5Å; T933-V967 VanDerWaalsContact O-CG2 3.29Å; T933-V967 WeakPolarHBondContact O-CG2 3.39Å
934	K	91.7	Very high	94.1	Very high	47 Å²	47	37.4 Å²	37.4	20%	0.204	19%	0.194	C	C	.	.	H	α-helix	trans	-55.2	-38.8	172.5	-176.9	179.4	177.1	-174.6	0	111.6	D575 D936 Y937 D938	D575-K934 IonicContact OD1-NZ 2.63Å; D575-K934 PolarHBondContact OD1-NZ 2.71Å; D575-K934 IonicContact OD2-NZ 3.07Å; D575-K934 PolarHBondContact OD2-NZ 2.69Å; D575-K934 VanDerWaalsContact OD2-NZ 3.07Å; K934-D936 PolarHBondContact O-N 3.27Å; K934-Y937 WeakPolarHBondContact O-CB 3.32Å; K934-Y937 PolarHBondContact O-N 3.23Å; K934-D938 PolarHBondContact O-N 2.79Å
935	F	92	Very high	94	Very high	144 Å²	144	45.2 Å²	45.2	63%	0.632	23%	0.23	S	C	*	.	H	α-helix	trans	-57.7	-46.7	175.5	179.6	-91.7	0	0	0	112.3	T933 Y937 D938 E939	T933-F935 PolarHBondContact O-N 3.45Å; F935-Y937 VanDerWaalsContact C-N 3.28Å; F935-Y937 PolarHBondContact O-N 3.42Å; F935-D938 PolarHBondContact O-N 3.02Å; F935-E939 WeakPolarHBondContact O-CB 3.43Å; F935-E939 PolarHBondContact O-N 3.17Å
936	D	92.9	Very high	94	Very high	40 Å²	40	49.5 Å²	49.5	21%	0.214	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-39	177.7	-56.4	-49.5	0	0	0	111.7	A932 T933 K934 L940	A932-D936 PolarHBondContact N-OD2 2.88Å; T933-D936 PolarHBondContact N-OD2 2.65Å; T933-D936 WeakPolarHBondContact O-CB 3.45Å; T933-D936 PolarHBondContact O-N 2.93Å; T933-D936 VanDerWaalsContact O-N 3.1Å; T933-D936 PolarHBondContact OG1-N 3.25Å; T933-D936 PolarHBondContact OG1-OD2 2.57Å; K934-D936 PolarHBondContact O-N 3.27Å; D936-L940 WeakPolarHBondContact O-CB 3.35Å; D936-L940 PolarHBondContact O-N 3.34Å
937	Y	94.5	Very high	93.9	Very high	36 Å²	36	49.8 Å²	49.8	14%	0.141	25%	0.245	C	C	.	.	H	α-helix	trans	-65.4	-46.9	177.5	178.5	-96.7	0	0	0	111.8	I572 T933 K934 F935 E939 L940 K941 L960 V963 A964	I572-Y937 HydrophobicContact CB-CD1 4.11Å; I572-Y937 HydrophobicContact CB-CE1 4.2Å; I572-Y937 HydrophobicContact CD1-CE1 3.96Å; I572-Y937 HydrophobicContact CD1-CE2 4.34Å; I572-Y937 HydrophobicContact CG2-CD1 4.03Å; I572-Y937 HydrophobicContact CG2-CD2 4.21Å; I572-Y937 HydrophobicContact CG2-CE1 4.39Å; I572-Y937 HydrophobicContact CG2-CG 3.92Å; T933-Y937 PolarHBondContact O-N 3.11Å; T933-Y937 VanDerWaalsContact O-N 3.16Å; K934-Y937 WeakPolarHBondContact O-CB 3.32Å; K934-Y937 PolarHBondContact O-N 3.23Å; F935-Y937 VanDerWaalsContact C-N 3.28Å; F935-Y937 PolarHBondContact O-N 3.42Å; Y937-E939 VanDerWaalsContact C-N 3.35Å; Y937-L940 PolarHBondContact O-N 3.27Å; Y937-K941 HydrophobicContact CE1-CD 4.2Å; Y937-K941 WeakPolarHBondContact O-CB 3.32Å; Y937-K941 PolarHBondContact O-N 3.04Å; Y937-L960 HydrophobicContact CD2-CD2 4.24Å; Y937-L960 HydrophobicContact CE2-CB 4.5Å; Y937-L960 HydrophobicContact CE2-CD2 3.78Å; Y937-V963 HydrophobicContact CD2-CB 4.49Å; Y937-V963 HydrophobicContact CD2-CG1 4.14Å; Y937-A964 HydrophobicContact CD2-CB 4.11Å; Y937-A964 HydrophobicContact CE2-CB 3.82Å
938	D	94.3	Very high	93.7	Very high	69 Å²	69	51 Å²	51	37%	0.369	26%	0.26	S	S	.	.	H	α-helix	trans	-66.5	-36.7	179	-74.4	-30.2	0	0	0	111.9	K934 F935 K941 S942	K934-D938 PolarHBondContact O-N 2.79Å; F935-D938 PolarHBondContact O-N 3.02Å; D938-K941 PolarHBondContact O-N 3.39Å; D938-S942 PolarHBondContact O-N 2.98Å
939	E	93.8	Very high	93.4	Very high	51 Å²	51	61.9 Å²	61.9	24%	0.238	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-48.9	172.6	-174.1	174.9	-130.4	0	0	111.1	C899 Q903 F935 Y937 K941 S942 L943	C899-E939 PolarHBondContact SG-OE1 3.14Å; C899-E939 PolarHBondContact SG-OE2 2.8Å; Q903-E939 PolarHBondContact NE2-OE1 2.75Å; Q903-E939 VanDerWaalsContact NE2-OE1 3.09Å; F935-E939 WeakPolarHBondContact O-CB 3.43Å; F935-E939 PolarHBondContact O-N 3.17Å; Y937-E939 VanDerWaalsContact C-N 3.35Å; E939-K941 VanDerWaalsContact C-N 3.33Å; E939-K941 PolarHBondContact O-N 3.2Å; E939-S942 WeakPolarHBondContact O-CB 3.23Å; E939-S942 PolarHBondContact O-N 2.84Å; E939-L943 WeakPolarHBondContact O-CG 3.25Å; E939-L943 PolarHBondContact O-N 2.87Å
940	L	95.4	Very high	93.2	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.9	-45.3	175	173.6	56.7	0	0	0	111	I924 T928 D936 Y937 S942 L943 V944 T959 L960 V963	I924-L940 HydrophobicContact CG2-CD1 4.11Å; T928-L940 HydrophobicContact CG2-CB 4.45Å; T928-L940 HydrophobicContact CG2-CD1 4.07Å; T928-L940 WeakPolarHBondContact OG1-CD1 3.31Å; D936-L940 WeakPolarHBondContact O-CB 3.35Å; D936-L940 PolarHBondContact O-N 3.34Å; Y937-L940 PolarHBondContact O-N 3.27Å; L940-S942 VanDerWaalsContact C-N 3.26Å; L940-S942 PolarHBondContact O-N 2.88Å; L940-L943 CarbonylContact O-C 3.57Å; L940-L943 WeakPolarHBondContact O-CA 3.49Å; L940-L943 WeakPolarHBondContact O-CB 3.48Å; L940-L943 PolarHBondContact O-N 2.83Å; L940-V944 HydrophobicContact CD1-CG2 3.88Å; L940-V944 HydrophobicContact CG-CG2 4.28Å; L940-V944 WeakPolarHBondContact O-CG2 3.5Å; L940-V944 PolarHBondContact O-N 2.79Å; L940-T959 HydrophobicContact CD2-CG2 3.7Å; L940-L960 HydrophobicContact CB-CD2 4.34Å; L940-L960 HydrophobicContact CD2-CD2 3.85Å; L940-L960 HydrophobicContact CD2-CG 4.06Å; L940-L960 HydrophobicContact CG-CD2 3.7Å; L940-L960 HydrophobicContact CG-CG 4.1Å; L940-V963 HydrophobicContact CD2-CB 4.22Å; L940-V963 HydrophobicContact CD2-CG2 3.85Å
941	K	94.9	Very high	92.8	Very high	115 Å²	115	68.5 Å²	68.5	50%	0.5	34%	0.341	S	S	.	.	H	α-helix	trans	-57.7	-40	178	-173.6	178.1	178.4	-178.4	0	111.9	Y937 D938 E939 V944 H945 L960	Y937-K941 HydrophobicContact CE1-CD 4.2Å; Y937-K941 WeakPolarHBondContact O-CB 3.32Å; Y937-K941 PolarHBondContact O-N 3.04Å; D938-K941 PolarHBondContact O-N 3.39Å; E939-K941 VanDerWaalsContact C-N 3.33Å; E939-K941 PolarHBondContact O-N 3.2Å; K941-V944 PolarHBondContact O-N 3.49Å; K941-H945 PolarHBondContact O-N 3Å; K941-L960 HydrophobicContact CB-CD2 4.19Å
942	S	95.1	Very high	92.5	Very high	79 Å²	79	68 Å²	68	55%	0.552	34%	0.336	S	S	*	.	H	α-helix	trans	-63.5	-44.4	172.8	-176.6	0	0	0	0	112.2	D938 E939 L940 V944 H945 R946	D938-S942 PolarHBondContact O-N 2.98Å; E939-S942 WeakPolarHBondContact O-CB 3.23Å; E939-S942 PolarHBondContact O-N 2.84Å; L940-S942 VanDerWaalsContact C-N 3.26Å; L940-S942 PolarHBondContact O-N 2.88Å; S942-V944 VanDerWaalsContact C-N 3.35Å; S942-V944 PolarHBondContact O-N 2.89Å; S942-H945 WeakPolarHBondContact O-CB 3.16Å; S942-H945 PolarHBondContact O-N 3.03Å; S942-R946 PolarHBondContact O-N 2.76Å
943	L	95.2	Very high	92.3	Very high	7 Å²	7	69.4 Å²	69.4	4%	0.037	34%	0.341	C	S	.	.	H	α-helix	trans	-63	-39.4	175.9	-65.3	173.5	0	0	0	112.3	L902 Q903 W906 I924 T928 E939 L940 R946 F947	L902-L943 HydrophobicContact CD2-CD1 4.12Å; Q903-L943 HydrophobicContact CG-CD2 4.3Å; W906-L943 HydrophobicContact CE3-CD2 4.43Å; W906-L943 HydrophobicContact CZ3-CD2 3.96Å; I924-L943 HydrophobicContact CG2-CB 4.37Å; I924-L943 HydrophobicContact CG2-CD1 4.37Å; T928-L943 HydrophobicContact CG2-CD1 4.03Å; E939-L943 WeakPolarHBondContact O-CG 3.25Å; E939-L943 PolarHBondContact O-N 2.87Å; L940-L943 CarbonylContact O-C 3.57Å; L940-L943 WeakPolarHBondContact O-CA 3.49Å; L940-L943 WeakPolarHBondContact O-CB 3.48Å; L940-L943 PolarHBondContact O-N 2.83Å; L943-R946 PolarHBondContact O-N 2.89Å; L943-F947 WeakPolarHBondContact O-CB 3.4Å; L943-F947 PolarHBondContact O-N 2.91Å
944	V	94.9	Very high	91.9	Very high	14 Å²	14	69 Å²	69	9%	0.085	34%	0.341	C	S	.	.	H	α-helix	trans	-65.5	-40.4	175	176.9	0	0	0	0	111	L940 K941 S942 F947 G948 M953 L956 L960	L940-V944 HydrophobicContact CD1-CG2 3.88Å; L940-V944 HydrophobicContact CG-CG2 4.28Å; L940-V944 WeakPolarHBondContact O-CG2 3.5Å; L940-V944 PolarHBondContact O-N 2.79Å; K941-V944 PolarHBondContact O-N 3.49Å; S942-V944 VanDerWaalsContact C-N 3.35Å; S942-V944 PolarHBondContact O-N 2.89Å; V944-F947 WeakPolarHBondContact O-CB 3.37Å; V944-F947 PolarHBondContact O-N 2.92Å; V944-G948 PolarHBondContact O-N 3.06Å; V944-M953 HydrophobicContact CG1-CE 3.97Å; V944-M953 HydrophobicContact CG1-SD 3.65Å; V944-L956 HydrophobicContact CG1-CB 4.33Å; V944-L956 HydrophobicContact CG1-CD1 4.48Å; V944-L956 HydrophobicContact CG2-CB 3.83Å; V944-L956 HydrophobicContact CG2-CD1 4.17Å; V944-L956 HydrophobicContact CG2-CD2 4.48Å; V944-L956 HydrophobicContact CG2-CG 4.37Å; V944-L960 HydrophobicContact CB-CD1 4.17Å; V944-L960 HydrophobicContact CG1-CD1 4.07Å; V944-L960 HydrophobicContact CG2-CD1 3.81Å; V944-L960 HydrophobicContact CG2-CG 4.09Å
945	H	93.9	Very high	91.7	Very high	164 Å²	164	67.9 Å²	67.9	76%	0.759	34%	0.338	S	S	*	.	H	α-helix	trans	-61.8	-44.6	173.8	-173.8	70.2	0	0	0	111.6	K941 S942 F947 G948	K941-H945 PolarHBondContact O-N 3Å; S942-H945 WeakPolarHBondContact O-CB 3.16Å; S942-H945 PolarHBondContact O-N 3.03Å; H945-F947 VanDerWaalsContact C-N 3.31Å; H945-F947 PolarHBondContact O-N 2.95Å; H945-G948 PolarHBondContact O-N 3.01Å
946	R	94.1	Very high	91.7	Very high	103 Å²	103	61 Å²	61	39%	0.389	31%	0.308	S	S	.	.	H	α-helix	trans	-62.2	-36.8	175.6	-175.1	-179	178.1	172.7	1.6	112.6	W906 S942 L943 G948	W906-R946 HydrophobicContact CH2-CB 4.29Å; W906-R946 HydrophobicContact CH2-CG 4.16Å; W906-R946 HydrophobicContact CZ2-CB 4.24Å; W906-R946 HydrophobicContact CZ2-CG 3.7Å; S942-R946 PolarHBondContact O-N 2.76Å; L943-R946 PolarHBondContact O-N 2.89Å; R946-G948 PolarHBondContact O-N 3.02Å
947	F	93.8	Very high	91.6	Very high	7 Å²	7	63 Å²	63	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-62.1	-29	177.1	-176.7	-92.4	0	0	0	112.7	W906 G916 F920 A921 I924 L943 V944 H945 R949 M953 L956	W906-F947 HydrophobicContact CH2-CB 4.26Å; G916-F947 VanDerWaalsContact C-CZ 3.4Å; F920-F947 HydrophobicContact CB-CE2 4.21Å; F920-F947 AromaticContact CD1-CD2 3.75Å; F920-F947 HydrophobicContact CD1-CD2 3.75Å; F920-F947 AromaticContact CD1-CE2 3.58Å; F920-F947 HydrophobicContact CD1-CE2 3.58Å; F920-F947 HydrophobicContact CE1-CD2 4.04Å; F920-F947 HydrophobicContact CE1-CE2 4.33Å; F920-F947 HydrophobicContact CG-CE2 4.2Å; A921-F947 HydrophobicContact CB-CE2 4.29Å; A921-F947 HydrophobicContact CB-CZ 4.09Å; I924-F947 HydrophobicContact CD1-CD2 3.63Å; I924-F947 HydrophobicContact CD1-CE2 4.24Å; I924-F947 HydrophobicContact CD1-CG 4.42Å; L943-F947 WeakPolarHBondContact O-CB 3.4Å; L943-F947 PolarHBondContact O-N 2.91Å; V944-F947 WeakPolarHBondContact O-CB 3.37Å; V944-F947 PolarHBondContact O-N 2.92Å; H945-F947 VanDerWaalsContact C-N 3.31Å; H945-F947 PolarHBondContact O-N 2.95Å; F947-R949 PolarHBondContact O-N 2.8Å; F947-M953 HydrophobicContact CD1-CE 3.94Å; F947-L956 HydrophobicContact CB-CD1 3.86Å; F947-L956 HydrophobicContact CD1-CD1 3.48Å; F947-L956 VanDerWaalsContact CD1-CD1 3.48Å; F947-L956 HydrophobicContact CD2-CD1 3.84Å; F947-L956 HydrophobicContact CE1-CD1 3.85Å; F947-L956 HydrophobicContact CE2-CD1 4.17Å; F947-L956 HydrophobicContact CG-CD1 3.45Å; F947-L956 VanDerWaalsContact CG-CD1 3.45Å; F947-L956 HydrophobicContact CZ-CD1 4.17Å
948	G	90.6	Very high	91.2	Very high	36 Å²	36	63.9 Å²	63.9	37%	0.371	32%	0.324	S	S	.	.			trans	76.9	-120.1	173.2	0	0	0	0	0	113.1	V944 H945 R946 M953	V944-G948 PolarHBondContact O-N 3.06Å; H945-G948 PolarHBondContact O-N 3.01Å; R946-G948 PolarHBondContact O-N 3.02Å; G948-M953 WeakPolarHBondContact O-CE 3.32Å
949	R	89.4	Confident	91.1	Very high	241 Å²	241	60.8 Å²	60.8	91%	0.909	31%	0.308	S	S	*	.	S	Bend	trans	-122	148	-176.5	-66.1	-177.1	179.5	177.2	0.5	110.7	F947	F947-R949 PolarHBondContact O-N 2.8Å
950	G	88.8	Confident	91.1	Very high	36 Å²	36	59.4 Å²	59.4	37%	0.371	30%	0.302	S	S	.	.	S	Bend	trans	160.3	176.3	172.5	0	0	0	0	0	113.1	G916 G952 M953	G916-G950 CarbonylContact O-C 3.58Å; G916-G950 VanDerWaalsContact O-C 3.31Å; G916-G950 WeakPolarHBondContact O-CA 3.45Å; G950-G952 PolarHBondContact O-N 2.67Å; G950-M953 VanDerWaalsContact O-CB 3.31Å; G950-M953 WeakPolarHBondContact O-CB 3.38Å; G950-M953 PolarHBondContact O-N 3.36Å; G950-M953 VanDerWaalsContact O-N 3.12Å
951	H	84.6	Confident	90.8	Very high	162 Å²	162	61.4 Å²	61.4	75%	0.75	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.6	179.8	-63.4	-68	0	0	0	113.2	G916 I918 M953 S954	G916-H951 PolarHBondContact O-N 2.88Å; I918-H951 HydrophobicContact CG1-CB 4.25Å; H951-M953 PolarHBondContact O-N 2.81Å; H951-S954 PolarHBondContact O-OG 2.61Å
952	G	86.9	Confident	90.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-9.2	175.9	0	0	0	0	0	115	G916 A921 G950 S954 V955 L956	G916-G952 PolarHBondContact O-N 2.78Å; A921-G952 VanDerWaalsContact CB-O 3.24Å; A921-G952 WeakPolarHBondContact CB-O 3.46Å; G950-G952 PolarHBondContact O-N 2.67Å; G952-S954 VanDerWaalsContact C-N 3.26Å; G952-S954 PolarHBondContact O-N 2.87Å; G952-V955 PolarHBondContact O-N 2.85Å; G952-L956 PolarHBondContact O-N 2.87Å
953	M	89.8	Confident	90.6	Very high	42 Å²	42	53.1 Å²	53.1	21%	0.207	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-29.8	-177.3	-172	55.4	69.6	0	0	113.1	V944 F947 G948 G950 H951 V955 L956 N957	V944-M953 HydrophobicContact CG1-CE 3.97Å; V944-M953 HydrophobicContact CG1-SD 3.65Å; F947-M953 HydrophobicContact CD1-CE 3.94Å; G948-M953 WeakPolarHBondContact O-CE 3.32Å; G950-M953 VanDerWaalsContact O-CB 3.31Å; G950-M953 WeakPolarHBondContact O-CB 3.38Å; G950-M953 PolarHBondContact O-N 3.36Å; G950-M953 VanDerWaalsContact O-N 3.12Å; H951-M953 PolarHBondContact O-N 2.81Å; M953-V955 VanDerWaalsContact C-N 3.34Å; M953-V955 PolarHBondContact O-N 2.99Å; M953-L956 PolarHBondContact O-N 2.87Å; M953-L956 HydrophobicContact SD-CB 4.34Å; M953-N957 WeakPolarHBondContact O-CB 3.43Å; M953-N957 VanDerWaalsContact O-CG 3.27Å; M953-N957 PolarHBondContact O-N 3.13Å
954	S	83.6	Confident	90.4	Very high	57 Å²	57	52.9 Å²	52.9	40%	0.399	27%	0.271	S	S	.	.	H	α-helix	trans	-59.6	-45.4	174.5	55.2	0	0	0	0	111.6	H951 G952 N957 M958	H951-S954 PolarHBondContact O-OG 2.61Å; G952-S954 VanDerWaalsContact C-N 3.26Å; G952-S954 PolarHBondContact O-N 2.87Å; S954-N957 PolarHBondContact O-N 2.95Å; S954-M958 PolarHBondContact O-N 2.89Å
955	V	87.6	Confident	90.3	Very high	23 Å²	23	52.5 Å²	52.5	14%	0.139	27%	0.269	C	S	.	.	H	α-helix	trans	-63.4	-42.8	177.1	177.4	0	0	0	0	111.1	I918 A921 G952 M953 M958 T959	I918-V955 HydrophobicContact CG2-CG2 4.19Å; A921-V955 HydrophobicContact CB-CB 4.03Å; A921-V955 HydrophobicContact CB-CG1 4.26Å; G952-V955 PolarHBondContact O-N 2.85Å; M953-V955 VanDerWaalsContact C-N 3.34Å; M953-V955 PolarHBondContact O-N 2.99Å; V955-M958 HydrophobicContact CG1-CE 4.13Å; V955-M958 WeakPolarHBondContact O-CB 3.37Å; V955-M958 PolarHBondContact O-N 2.77Å; V955-T959 PolarHBondContact O-N 2.57Å; V955-T959 PolarHBondContact O-OG1 2.79Å
956	L	92.5	Very high	90.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-70	-38.3	-179.4	-66.7	-179.6	0	0	0	113.1	A921 I924 V944 F947 G952 M953 M958 T959 L960	A921-L956 HydrophobicContact CB-CD1 4.36Å; A921-L956 HydrophobicContact CB-CD2 4.06Å; A921-L956 HydrophobicContact CB-CG 3.84Å; I924-L956 HydrophobicContact CB-CD2 3.85Å; I924-L956 HydrophobicContact CD1-CD1 4.36Å; I924-L956 HydrophobicContact CD1-CD2 4.31Å; I924-L956 HydrophobicContact CG2-CD2 3.78Å; V944-L956 HydrophobicContact CG1-CB 4.33Å; V944-L956 HydrophobicContact CG1-CD1 4.48Å; V944-L956 HydrophobicContact CG2-CB 3.83Å; V944-L956 HydrophobicContact CG2-CD1 4.17Å; V944-L956 HydrophobicContact CG2-CD2 4.48Å; V944-L956 HydrophobicContact CG2-CG 4.37Å; F947-L956 HydrophobicContact CB-CD1 3.86Å; F947-L956 HydrophobicContact CD1-CD1 3.48Å; F947-L956 VanDerWaalsContact CD1-CD1 3.48Å; F947-L956 HydrophobicContact CD2-CD1 3.84Å; F947-L956 HydrophobicContact CE1-CD1 3.85Å; F947-L956 HydrophobicContact CE2-CD1 4.17Å; F947-L956 HydrophobicContact CG-CD1 3.45Å; F947-L956 VanDerWaalsContact CG-CD1 3.45Å; F947-L956 HydrophobicContact CZ-CD1 4.17Å; G952-L956 PolarHBondContact O-N 2.87Å; M953-L956 PolarHBondContact O-N 2.87Å; M953-L956 HydrophobicContact SD-CB 4.34Å; L956-M958 VanDerWaalsContact C-N 3.29Å; L956-M958 PolarHBondContact O-N 3.32Å; L956-T959 PolarHBondContact O-N 3.02Å; L956-L960 PolarHBondContact O-N 2.76Å
957	N	89.9	Confident	90.3	Very high	82 Å²	82	40.1 Å²	40.1	44%	0.439	22%	0.217	S	C	.	.	H	α-helix	trans	-63	-38.8	173.1	-73.6	-14.5	0	0	0	111.1	M953 S954 L960 S961	M953-N957 WeakPolarHBondContact O-CB 3.43Å; M953-N957 VanDerWaalsContact O-CG 3.27Å; M953-N957 PolarHBondContact O-N 3.13Å; S954-N957 PolarHBondContact O-N 2.95Å; N957-L960 PolarHBondContact O-N 3.14Å; N957-S961 PolarHBondContact O-N 2.92Å; N957-S961 PolarHBondContact O-OG 2.85Å
958	M	85.9	Confident	90.2	Very high	54 Å²	54	40 Å²	40	27%	0.266	22%	0.216	S	C	.	.	H	α-helix	trans	-59.2	-48.3	170.8	170.9	-176.8	71.7	0	0	111.4	Q458 S954 V955 L956 L960 S961 S962	Q458-M958 HydrophobicContact CG-CB 3.97Å; Q458-M958 HydrophobicContact CG-CG 3.78Å; Q458-M958 VanDerWaalsContact NE2-CG 3.28Å; Q458-M958 PolarHBondContact NE2-SD 3.23Å; S954-M958 PolarHBondContact O-N 2.89Å; V955-M958 HydrophobicContact CG1-CE 4.13Å; V955-M958 WeakPolarHBondContact O-CB 3.37Å; V955-M958 PolarHBondContact O-N 2.77Å; L956-M958 VanDerWaalsContact C-N 3.29Å; L956-M958 PolarHBondContact O-N 3.32Å; M958-L960 VanDerWaalsContact C-N 3.3Å; M958-L960 PolarHBondContact O-N 3.43Å; M958-S961 PolarHBondContact O-N 3.01Å; M958-S962 WeakPolarHBondContact O-CB 3.37Å; M958-S962 PolarHBondContact O-N 2.81Å
959	T	92.9	Very high	90.3	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-41.6	178.6	-45.5	0	0	0	0	111	S925 Q929 L940 V955 L956 S962 V963	S925-T959 VanDerWaalsContact CB-OG1 3.22Å; S925-T959 WeakPolarHBondContact CB-OG1 3.38Å; S925-T959 PolarHBondContact OG-OG1 2.96Å; Q929-T959 HydrophobicContact CB-CG2 4.24Å; L940-T959 HydrophobicContact CD2-CG2 3.7Å; V955-T959 PolarHBondContact O-N 2.57Å; V955-T959 PolarHBondContact O-OG1 2.79Å; L956-T959 PolarHBondContact O-N 3.02Å; T959-S962 PolarHBondContact O-N 3.26Å; T959-V963 HydrophobicContact CG2-CG2 4.35Å; T959-V963 WeakPolarHBondContact O-CB 3.48Å; T959-V963 VanDerWaalsContact O-CG2 3.32Å; T959-V963 WeakPolarHBondContact O-CG2 3.13Å; T959-V963 PolarHBondContact O-N 2.9Å
960	L	92.4	Very high	90.5	Very high	22 Å²	22	27.6 Å²	27.6	12%	0.115	16%	0.16	C	C	.	.	H	α-helix	trans	-59.6	-49.1	176.2	-82.8	169.1	0	0	0	112.2	Y937 L940 K941 V944 L956 N957 M958 S962 V963 A964	Y937-L960 HydrophobicContact CD2-CD2 4.24Å; Y937-L960 HydrophobicContact CE2-CB 4.5Å; Y937-L960 HydrophobicContact CE2-CD2 3.78Å; L940-L960 HydrophobicContact CB-CD2 4.34Å; L940-L960 HydrophobicContact CD2-CD2 3.85Å; L940-L960 HydrophobicContact CD2-CG 4.06Å; L940-L960 HydrophobicContact CG-CD2 3.7Å; L940-L960 HydrophobicContact CG-CG 4.1Å; K941-L960 HydrophobicContact CB-CD2 4.19Å; V944-L960 HydrophobicContact CB-CD1 4.17Å; V944-L960 HydrophobicContact CG1-CD1 4.07Å; V944-L960 HydrophobicContact CG2-CD1 3.81Å; V944-L960 HydrophobicContact CG2-CG 4.09Å; L956-L960 PolarHBondContact O-N 2.76Å; N957-L960 PolarHBondContact O-N 3.14Å; M958-L960 VanDerWaalsContact C-N 3.3Å; M958-L960 PolarHBondContact O-N 3.43Å; L960-S962 VanDerWaalsContact C-N 3.33Å; L960-S962 PolarHBondContact O-N 3.15Å; L960-V963 PolarHBondContact O-N 2.94Å; L960-A964 WeakPolarHBondContact O-CB 3.16Å; L960-A964 PolarHBondContact O-N 2.88Å
961	S	90	Very high	90.5	Very high	42 Å²	42	27.3 Å²	27.3	29%	0.294	15%	0.154	S	C	.	.	H	α-helix	trans	-62.4	-40.5	176.5	-64.2	0	0	0	0	112.1	N957 M958 A964 S965	N957-S961 PolarHBondContact O-N 2.92Å; N957-S961 PolarHBondContact O-OG 2.85Å; M958-S961 PolarHBondContact O-N 3.01Å; S961-A964 PolarHBondContact O-N 2.85Å; S961-S965 WeakPolarHBondContact O-CB 3.28Å; S961-S965 PolarHBondContact O-N 3.28Å
962	S	91.4	Very high	90.6	Very high	20 Å²	20	22.3 Å²	22.3	14%	0.14	13%	0.129	C	C	.	.	H	α-helix	trans	-64.7	-42.7	177.1	-174.1	0	0	0	0	112	M958 T959 L960 S965 N966	M958-S962 WeakPolarHBondContact O-CB 3.37Å; M958-S962 PolarHBondContact O-N 2.81Å; T959-S962 PolarHBondContact O-N 3.26Å; L960-S962 VanDerWaalsContact C-N 3.33Å; L960-S962 PolarHBondContact O-N 3.15Å; S962-S965 PolarHBondContact O-N 3.48Å; S962-N966 PolarHBondContact O-N 3.22Å; S962-N966 PolarHBondContact O-ND2 3.02Å; S962-N966 PolarHBondContact O-OD1 3.05Å
963	V	94	Very high	90.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68.4	-42.1	178	171.4	0	0	0	0	110.2	T928 Y937 L940 T959 L960 S965 N966 V967	T928-V963 VanDerWaalsContact O-CG2 3.3Å; T928-V963 WeakPolarHBondContact O-CG2 3.29Å; Y937-V963 HydrophobicContact CD2-CB 4.49Å; Y937-V963 HydrophobicContact CD2-CG1 4.14Å; L940-V963 HydrophobicContact CD2-CB 4.22Å; L940-V963 HydrophobicContact CD2-CG2 3.85Å; T959-V963 HydrophobicContact CG2-CG2 4.35Å; T959-V963 WeakPolarHBondContact O-CB 3.48Å; T959-V963 VanDerWaalsContact O-CG2 3.32Å; T959-V963 WeakPolarHBondContact O-CG2 3.13Å; T959-V963 PolarHBondContact O-N 2.9Å; L960-V963 PolarHBondContact O-N 2.94Å; V963-S965 VanDerWaalsContact C-N 3.3Å; V963-S965 PolarHBondContact O-N 3.01Å; V963-N966 WeakPolarHBondContact O-CB 3.47Å; V963-N966 PolarHBondContact O-N 3.1Å; V963-V967 HydrophobicContact CG1-CG2 4.39Å; V963-V967 VanDerWaalsContact O-CG2 3.31Å; V963-V967 WeakPolarHBondContact O-CG2 3.36Å; V963-V967 PolarHBondContact O-N 3.24Å
964	A	92.1	Very high	90.9	Very high	2 Å²	2	23.8 Å²	23.8	2%	0.017	14%	0.136	C	C	.	.	H	α-helix	trans	-57	-44.5	173.6	0	0	0	0	0	112	F569 I572 Y937 L960 S961 N966 V967 E968	F569-A964 HydrophobicContact CB-CB 4.17Å; F569-A964 HydrophobicContact CD1-CB 4.34Å; F569-A964 HydrophobicContact CD2-CB 3.71Å; F569-A964 HydrophobicContact CE2-CB 4.15Å; F569-A964 HydrophobicContact CG-CB 3.82Å; I572-A964 HydrophobicContact CD1-CB 4.22Å; I572-A964 HydrophobicContact CG2-CB 4.19Å; Y937-A964 HydrophobicContact CD2-CB 4.11Å; Y937-A964 HydrophobicContact CE2-CB 3.82Å; L960-A964 WeakPolarHBondContact O-CB 3.16Å; L960-A964 PolarHBondContact O-N 2.88Å; S961-A964 PolarHBondContact O-N 2.85Å; A964-N966 VanDerWaalsContact C-N 3.34Å; A964-N966 PolarHBondContact O-N 2.84Å; A964-V967 PolarHBondContact O-N 2.85Å; A964-E968 PolarHBondContact O-N 3.45Å
965	S	91.6	Very high	91.2	Very high	6 Å²	6	24.7 Å²	24.7	4%	0.042	14%	0.139	C	C	.	.	H	α-helix	trans	-63.2	-36.7	174.5	-179.3	0	0	0	0	112.8	H698 S961 S962 V963 W969	H698-S965 PolarHBondContact CE1-OG 3.48Å; S961-S965 WeakPolarHBondContact O-CB 3.28Å; S961-S965 PolarHBondContact O-N 3.28Å; S962-S965 PolarHBondContact O-N 3.48Å; V963-S965 VanDerWaalsContact C-N 3.3Å; V963-S965 PolarHBondContact O-N 3.01Å; S965-W969 VanDerWaalsContact O-CB 3.23Å; S965-W969 WeakPolarHBondContact O-CB 3.31Å; S965-W969 PolarHBondContact O-N 3.23Å
966	N	93.9	Very high	91.3	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-65	-46.3	174.7	-63.8	-19	0	0	0	111.5	H698 I736 Q929 G931 S962 V963 A964 E968 W969 V970	H698-N966 PolarHBondContact CE1-OD1 2.8Å; H698-N966 VanDerWaalsContact CE1-OD1 3.29Å; H698-N966 PolarHBondContact NE2-OD1 3.31Å; I736-N966 HydrophobicContact CD1-CB 4.41Å; I736-N966 VanDerWaalsContact CD1-OD1 3.28Å; I736-N966 WeakPolarHBondContact CD1-OD1 3.41Å; I736-N966 HydrophobicContact CG2-CB 4.31Å; Q929-N966 PolarHBondContact O-ND2 3.37Å; Q929-N966 VanDerWaalsContact O-ND2 3.16Å; G931-N966 WeakPolarHBondContact O-CB 3.48Å; G931-N966 PolarHBondContact O-ND2 3.31Å; S962-N966 PolarHBondContact O-N 3.22Å; S962-N966 PolarHBondContact O-ND2 3.02Å; S962-N966 PolarHBondContact O-OD1 3.05Å; V963-N966 WeakPolarHBondContact O-CB 3.47Å; V963-N966 PolarHBondContact O-N 3.1Å; A964-N966 VanDerWaalsContact C-N 3.34Å; A964-N966 PolarHBondContact O-N 2.84Å; N966-E968 VanDerWaalsContact C-N 3.35Å; N966-E968 PolarHBondContact O-N 2.85Å; N966-W969 PolarHBondContact O-N 2.72Å; N966-V970 WeakPolarHBondContact O-CG2 3.19Å; N966-V970 PolarHBondContact O-N 3.1Å
967	V	93.8	Very high	91.3	Very high	7 Å²	7	24.8 Å²	24.8	4%	0.042	14%	0.141	C	C	.	.	H	α-helix	trans	-58.1	-49.5	178.9	176.9	0	0	0	0	110.3	A571 I572 T933 V963 A964 W969 V970 A971	A571-V967 HydrophobicContact CB-CG1 3.97Å; I572-V967 HydrophobicContact CG2-CB 4.11Å; I572-V967 HydrophobicContact CG2-CG1 4.06Å; I572-V967 HydrophobicContact CG2-CG2 4.42Å; T933-V967 VanDerWaalsContact C-CG2 3.5Å; T933-V967 VanDerWaalsContact O-CG2 3.29Å; T933-V967 WeakPolarHBondContact O-CG2 3.39Å; V963-V967 HydrophobicContact CG1-CG2 4.39Å; V963-V967 VanDerWaalsContact O-CG2 3.31Å; V963-V967 WeakPolarHBondContact O-CG2 3.36Å; V963-V967 PolarHBondContact O-N 3.24Å; A964-V967 PolarHBondContact O-N 2.85Å; V967-W969 PolarHBondContact O-N 2.76Å; V967-V970 PolarHBondContact O-N 2.86Å; V967-A971 WeakPolarHBondContact O-CB 3.32Å; V967-A971 PolarHBondContact O-N 3.02Å
968	E	91.9	Very high	91.4	Very high	3 Å²	3	24.9 Å²	24.9	1%	0.014	14%	0.135	C	C	.	.	H	α-helix	trans	-60	-46.8	178.6	-170.9	63	-151	0	0	112	F569 L570 A571 A964 N966 R972	F569-E968 WeakPolarHBondContact CA-OE2 3.24Å; F569-E968 HydrophobicContact CD1-CB 4.29Å; L570-E968 PolarHBondContact N-OE2 3.4Å; A571-E968 WeakPolarHBondContact CB-OE2 3.47Å; A571-E968 PolarHBondContact N-OE2 3.02Å; A964-E968 PolarHBondContact O-N 3.45Å; N966-E968 VanDerWaalsContact C-N 3.35Å; N966-E968 PolarHBondContact O-N 2.85Å; E968-R972 PolarHBondContact O-N 3.24Å; E968-R972 IonicContact OE1-CZ 3.07Å; E968-R972 IonicContact OE1-NE 2.67Å; E968-R972 PolarHBondContact OE1-NE 2.68Å; E968-R972 IonicContact OE1-NH2 2.72Å; E968-R972 PolarHBondContact OE1-NH2 2.82Å
969	W	93	Very high	91.7	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-64.4	-45.1	-178.2	175.4	71	0	0	0	112.2	C697 H698 C704 W733 I736 L737 S965 N966 V967 R972 S973	C697-W969 PolarHBondContact SG-NE1 2.92Å; H698-W969 AromaticContact CD2-CD2 3.87Å; H698-W969 AromaticContact CD2-CG 3.8Å; C704-W969 PolarHBondContact SG-NE1 3.4Å; W733-W969 HydrophobicContact CB-CH2 4.22Å; W733-W969 AromaticContact CD1-CH2 3.65Å; W733-W969 AromaticContact CD2-CH2 3.64Å; W733-W969 HydrophobicContact CD2-CH2 3.64Å; W733-W969 AromaticContact CD2-CZ2 3.7Å; W733-W969 HydrophobicContact CD2-CZ2 3.7Å; W733-W969 AromaticContact CE2-CH2 3.75Å; W733-W969 AromaticContact CE2-CZ2 3.38Å; W733-W969 HydrophobicContact CE3-CH2 4.25Å; W733-W969 HydrophobicContact CE3-CZ2 4.21Å; W733-W969 AromaticContact CG-CH2 3.61Å; W733-W969 HydrophobicContact CG-CH2 3.61Å; W733-W969 HydrophobicContact CG-CZ2 4.11Å; W733-W969 HydrophobicContact CG-CZ3 4.41Å; W733-W969 HydrophobicContact CH2-CZ2 4.18Å; W733-W969 HydrophobicContact CZ2-CH2 4.45Å; W733-W969 AromaticContact CZ2-CZ2 3.66Å; W733-W969 HydrophobicContact CZ2-CZ2 3.66Å; W733-W969 HydrophobicContact CZ3-CZ2 4.42Å; W733-W969 AromaticContact NE1-CH2 3.73Å; W733-W969 AromaticContact NE1-CZ2 3.59Å; I736-W969 HydrophobicContact CB-CZ3 4.45Å; I736-W969 HydrophobicContact CG2-CE3 4.03Å; I736-W969 HydrophobicContact CG2-CZ3 3.82Å; L737-W969 HydrophobicContact CD1-CH2 3.8Å; L737-W969 HydrophobicContact CD1-CZ3 4.23Å; L737-W969 HydrophobicContact CD2-CH2 4.14Å; L737-W969 HydrophobicContact CD2-CZ3 3.84Å; L737-W969 HydrophobicContact CG-CH2 3.98Å; L737-W969 HydrophobicContact CG-CZ3 3.87Å; S965-W969 VanDerWaalsContact O-CB 3.23Å; S965-W969 WeakPolarHBondContact O-CB 3.31Å; S965-W969 PolarHBondContact O-N 3.23Å; N966-W969 PolarHBondContact O-N 2.72Å; V967-W969 PolarHBondContact O-N 2.76Å; W969-R972 PolarHBondContact O-N 2.89Å; W969-S973 VanDerWaalsContact CD1-OG 3.26Å; W969-S973 PolarHBondContact NE1-OG 3.06Å; W969-S973 WeakPolarHBondContact O-CB 3.3Å; W969-S973 PolarHBondContact O-N 2.91Å; W969-S973 PolarHBondContact O-OG 2.71Å
970	V	93.6	Very high	91.7	Very high	15 Å²	15	29.9 Å²	29.9	9%	0.091	16%	0.155	C	C	.	.	H	α-helix	trans	-64.5	-47.1	179	171.9	0	0	0	0	110.9	I736 L737 A932 N966 V967 R972 S973 Q974	I736-V970 HydrophobicContact CG2-CG2 3.41Å; I736-V970 VanDerWaalsContact CG2-CG2 3.41Å; L737-V970 HydrophobicContact CD2-CG1 4.42Å; L737-V970 HydrophobicContact CD2-CG2 3.93Å; A932-V970 HydrophobicContact CB-CG2 4.1Å; N966-V970 WeakPolarHBondContact O-CG2 3.19Å; N966-V970 PolarHBondContact O-N 3.1Å; V967-V970 PolarHBondContact O-N 2.86Å; V970-R972 PolarHBondContact O-N 2.9Å; V970-R972 VanDerWaalsContact O-N 3.16Å; V970-S973 PolarHBondContact O-N 2.64Å; V970-Q974 WeakPolarHBondContact O-CB 3.48Å; V970-Q974 VanDerWaalsContact O-CG 3.26Å; V970-Q974 WeakPolarHBondContact O-CG 3.3Å; V970-Q974 PolarHBondContact O-N 3.1Å
971	A	89.9	Confident	91.7	Very high	30 Å²	30	28.9 Å²	28.9	25%	0.248	15%	0.15	C	C	.	.	H	α-helix	trans	-55.2	-35.9	-178.5	0	0	0	0	0	112.6	A571 Y577 V967	A571-A971 HydrophobicContact CB-CB 3.99Å; Y577-A971 HydrophobicContact CD1-CB 4.47Å; V967-A971 WeakPolarHBondContact O-CB 3.32Å; V967-A971 PolarHBondContact O-N 3.02Å
972	R	87	Confident	91.7	Very high	58 Å²	58	30.3 Å²	30.3	22%	0.219	15%	0.152	C	C	.	.	H	α-helix	trans	-91.8	-38.3	-179.8	-63.7	-171.8	-173.2	-155.8	8.9	114.6	Y577 N700 E968 W969 V970	Y577-R972 HydrophobicContact CE1-CG 4.3Å; Y577-R972 VanDerWaalsContact OH-CZ 3.29Å; Y577-R972 PolarHBondContact OH-NE 2.98Å; Y577-R972 PolarHBondContact OH-NH2 2.66Å; N700-R972 WeakPolarHBondContact ND2-CD 3.31Å; N700-R972 PolarHBondContact ND2-NE 3.1Å; N700-R972 PolarHBondContact ND2-NH1 3.45Å; E968-R972 PolarHBondContact O-N 3.24Å; E968-R972 IonicContact OE1-CZ 3.07Å; E968-R972 IonicContact OE1-NE 2.67Å; E968-R972 PolarHBondContact OE1-NE 2.68Å; E968-R972 IonicContact OE1-NH2 2.72Å; E968-R972 PolarHBondContact OE1-NH2 2.82Å; W969-R972 PolarHBondContact O-N 2.89Å; V970-R972 PolarHBondContact O-N 2.9Å; V970-R972 VanDerWaalsContact O-N 3.16Å
973	S	90.6	Very high	91.6	Very high	9 Å²	9	31.6 Å²	31.6	6%	0.063	17%	0.168	C	C	.	.	H	α-helix	trans	-96.1	-18.1	-163.8	-48.2	0	0	0	0	113.8	C704 W969 V970 T975 S976 L977	C704-S973 PolarHBondContact SG-OG 2.66Å; W969-S973 VanDerWaalsContact CD1-OG 3.26Å; W969-S973 PolarHBondContact NE1-OG 3.06Å; W969-S973 WeakPolarHBondContact O-CB 3.3Å; W969-S973 PolarHBondContact O-N 2.91Å; W969-S973 PolarHBondContact O-OG 2.71Å; V970-S973 PolarHBondContact O-N 2.64Å; S973-T975 VanDerWaalsContact C-N 3.34Å; S973-T975 PolarHBondContact O-N 3.49Å; S973-S976 WeakPolarHBondContact CA-OG 3.46Å; S973-S976 PolarHBondContact O-OG 2.74Å; S973-L977 WeakPolarHBondContact O-CB 3.22Å; S973-L977 PolarHBondContact O-N 2.84Å
974	Q	90.7	Very high	91.2	Very high	64 Å²	64	33.3 Å²	33.3	30%	0.299	18%	0.177	S	C	.	.	H	α-helix	trans	-62.7	-40.3	-173.9	66.9	-178	-21.9	0	0	112.8	S740 V970 Y978	S740-Q974 PolarHBondContact OG-OE1 3.07Å; V970-Q974 WeakPolarHBondContact O-CB 3.48Å; V970-Q974 VanDerWaalsContact O-CG 3.26Å; V970-Q974 WeakPolarHBondContact O-CG 3.3Å; V970-Q974 PolarHBondContact O-N 3.1Å; Q974-Y978 WeakPolarHBondContact O-CB 3.32Å; Q974-Y978 PolarHBondContact O-N 3.35Å
975	T	90.2	Very high	90.6	Very high	76 Å²	76	34.9 Å²	34.9	47%	0.466	19%	0.185	S	C	.	.	H	α-helix	trans	-72.9	-42.9	-177.4	-51.8	0	0	0	0	111.8	S973 L977 Y978 K979	S973-T975 VanDerWaalsContact C-N 3.34Å; S973-T975 PolarHBondContact O-N 3.49Å; T975-L977 VanDerWaalsContact C-N 3.34Å; T975-Y978 PolarHBondContact O-N 2.75Å; T975-K979 HydrophobicContact CG2-CD 4.49Å; T975-K979 WeakPolarHBondContact O-CG 3.39Å; T975-K979 PolarHBondContact O-N 2.92Å
976	S	91	Very high	89.1	Confident	21 Å²	21	40.4 Å²	40.4	15%	0.147	21%	0.21	C	C	.	.	H	α-helix	trans	-62.7	-42.6	174	47.1	0	0	0	0	111.4	E705 S973 K979 W980	E705-S976 WeakPolarHBondContact OE1-CB 3.42Å; S973-S976 WeakPolarHBondContact CA-OG 3.46Å; S973-S976 PolarHBondContact O-OG 2.74Å; S976-K979 PolarHBondContact O-N 3.42Å; S976-W980 VanDerWaalsContact O-CB 3.29Å; S976-W980 WeakPolarHBondContact O-CB 3.15Å; S976-W980 PolarHBondContact O-N 2.89Å
977	L	92.3	Very high	87.2	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-62.6	-45.2	177.4	-175.6	61.4	0	0	0	111.4	M708 L737 L746 S973 T975 W980 V981	M708-L977 HydrophobicContact CE-CD1 3.82Å; M708-L977 HydrophobicContact CG-CD1 3.52Å; M708-L977 HydrophobicContact SD-CD1 3.47Å; M708-L977 WeakPolarHBondContact SD-CD1 3.3Å; L737-L977 HydrophobicContact CD1-CD2 3.75Å; L746-L977 HydrophobicContact CD1-CD1 4.37Å; L746-L977 HydrophobicContact CD2-CD2 4.12Å; S973-L977 WeakPolarHBondContact O-CB 3.22Å; S973-L977 PolarHBondContact O-N 2.84Å; T975-L977 VanDerWaalsContact C-N 3.34Å; L977-W980 PolarHBondContact O-N 2.8Å; L977-V981 HydrophobicContact CD1-CG2 4.17Å; L977-V981 HydrophobicContact CG-CG2 4.5Å; L977-V981 WeakPolarHBondContact O-CB 3.47Å; L977-V981 WeakPolarHBondContact O-CG2 3.41Å; L977-V981 PolarHBondContact O-N 2.91Å
978	Y	91.8	Very high	85	Confident	83 Å²	83	48.9 Å²	48.9	33%	0.325	26%	0.257	S	S	.	.	H	α-helix	trans	-55.3	-55.2	174.7	-178.5	-85.5	0	0	0	111.5	C742 M745 Q974 T975 W980 V981 E982	C742-Y978 HydrophobicContact CB-CD2 4.25Å; M745-Y978 HydrophobicContact CE-CD1 3.97Å; M745-Y978 HydrophobicContact CE-CD2 3.47Å; M745-Y978 VanDerWaalsContact CE-CD2 3.47Å; M745-Y978 HydrophobicContact CE-CE1 3.83Å; M745-Y978 HydrophobicContact CE-CE2 3.3Å; M745-Y978 HydrophobicContact CE-CG 3.8Å; M745-Y978 VanDerWaalsContact CE-CZ 3.49Å; M745-Y978 WeakPolarHBondContact CE-O 3.35Å; M745-Y978 HydrophobicContact CG-CE2 4.31Å; M745-Y978 HydrophobicContact SD-CE2 4.03Å; Q974-Y978 WeakPolarHBondContact O-CB 3.32Å; Q974-Y978 PolarHBondContact O-N 3.35Å; T975-Y978 PolarHBondContact O-N 2.75Å; Y978-W980 VanDerWaalsContact C-N 3.35Å; Y978-W980 PolarHBondContact O-N 2.85Å; Y978-V981 PolarHBondContact O-N 3.07Å; Y978-E982 WeakPolarHBondContact O-CB 3.36Å; Y978-E982 PolarHBondContact O-N 2.97Å
979	K	91.9	Very high	82.4	Confident	137 Å²	137	61.8 Å²	61.8	60%	0.596	31%	0.306	S	S	*	.	H	α-helix	trans	-61.2	-41.8	-178.1	-72.2	177.2	179.7	177.3	0	112.4	T975 S976 G983	T975-K979 HydrophobicContact CG2-CD 4.49Å; T975-K979 WeakPolarHBondContact O-CG 3.39Å; T975-K979 PolarHBondContact O-N 2.92Å; S976-K979 PolarHBondContact O-N 3.42Å; K979-G983 PolarHBondContact O-N 2.9Å; K979-G983 VanDerWaalsContact O-N 3.09Å
980	W	93.2	Very high	81.9	Confident	26 Å²	26	64.8 Å²	64.8	10%	0.098	32%	0.321	C	S	.	.	H	α-helix	trans	-63.4	-45.7	177.9	-175.2	98.6	0	0	0	111.1	M708 N709 Q712 F749 S976 L977 Y978 G983 N984	M708-W980 HydrophobicContact CB-CD2 3.6Å; M708-W980 HydrophobicContact CB-CE3 3.7Å; M708-W980 HydrophobicContact CB-CG 4.31Å; M708-W980 HydrophobicContact CB-CH2 3.77Å; M708-W980 HydrophobicContact CB-CZ2 3.62Å; M708-W980 HydrophobicContact CB-CZ3 3.81Å; M708-W980 HydrophobicContact CE-CE3 3.73Å; M708-W980 HydrophobicContact CE-CH2 4.22Å; M708-W980 HydrophobicContact CE-CZ3 3.45Å; M708-W980 VanDerWaalsContact CE-CZ3 3.45Å; M708-W980 HydrophobicContact CG-CD2 4.25Å; M708-W980 HydrophobicContact CG-CE3 4.1Å; M708-W980 HydrophobicContact CG-CZ3 4.42Å; M708-W980 WeakPolarHBondContact O-CH2 3.42Å; N709-W980 VanDerWaalsContact OD1-CZ2 3.26Å; N709-W980 WeakPolarHBondContact OD1-CZ2 3.46Å; N709-W980 PolarHBondContact OD1-NE1 3.43Å; Q712-W980 HydrophobicContact CG-CH2 4.04Å; Q712-W980 HydrophobicContact CG-CZ2 4.16Å; F749-W980 HydrophobicContact CD2-CZ3 4.41Å; F749-W980 HydrophobicContact CE1-CH2 4.31Å; F749-W980 HydrophobicContact CE1-CZ3 4.02Å; F749-W980 HydrophobicContact CE2-CH2 4.02Å; F749-W980 AromaticContact CE2-CZ3 3.83Å; F749-W980 HydrophobicContact CE2-CZ3 3.83Å; F749-W980 AromaticContact CZ-CH2 3.63Å; F749-W980 HydrophobicContact CZ-CH2 3.63Å; F749-W980 AromaticContact CZ-CZ3 3.62Å; F749-W980 HydrophobicContact CZ-CZ3 3.62Å; S976-W980 VanDerWaalsContact O-CB 3.29Å; S976-W980 WeakPolarHBondContact O-CB 3.15Å; S976-W980 PolarHBondContact O-N 2.89Å; L977-W980 PolarHBondContact O-N 2.8Å; Y978-W980 VanDerWaalsContact C-N 3.35Å; Y978-W980 PolarHBondContact O-N 2.85Å; W980-G983 PolarHBondContact O-N 3.44Å; W980-N984 VanDerWaalsContact CE2-ND2 3.35Å; W980-N984 HydrophobicContact CH2-CB 4.34Å; W980-N984 HydrophobicContact CZ3-CB 4.24Å; W980-N984 PolarHBondContact O-N 2.86Å; W980-N984 VanDerWaalsContact O-N 3.15Å; W980-N984 PolarHBondContact O-ND2 3.18Å
981	V	91.6	Very high	81.3	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.006	33%	0.333	C	S	.	.	H	α-helix	trans	-66.4	-42.6	-179.4	170.4	0	0	0	0	110.9	M708 M745 L746 F749 L977 Y978 N984 L985	M708-V981 HydrophobicContact CE-CG2 3.98Å; M745-V981 HydrophobicContact CB-CG1 3.82Å; L746-V981 HydrophobicContact CD1-CG2 4.2Å; F749-V981 HydrophobicContact CB-CG1 3.97Å; L977-V981 HydrophobicContact CD1-CG2 4.17Å; L977-V981 HydrophobicContact CG-CG2 4.5Å; L977-V981 WeakPolarHBondContact O-CB 3.47Å; L977-V981 WeakPolarHBondContact O-CG2 3.41Å; L977-V981 PolarHBondContact O-N 2.91Å; Y978-V981 PolarHBondContact O-N 3.07Å; V981-N984 PolarHBondContact O-N 2.68Å; V981-L985 HydrophobicContact CG1-CD1 3.38Å; V981-L985 HydrophobicContact CG1-CG 4.18Å; V981-L985 WeakPolarHBondContact O-CB 3.38Å; V981-L985 WeakPolarHBondContact O-CG 3.37Å; V981-L985 PolarHBondContact O-N 3.11Å
982	E	89.9	Confident	80.8	Confident	72 Å²	72	69.5 Å²	69.5	34%	0.336	34%	0.338	S	S	.	.	H	α-helix	trans	-55.2	-53	175.2	-169.3	174.5	-142.2	0	0	111.4	M745 Y978 N984 L985 H986	M745-E982 HydrophobicContact CE-CB 3.67Å; M745-E982 HydrophobicContact CE-CG 4.31Å; Y978-E982 WeakPolarHBondContact O-CB 3.36Å; Y978-E982 PolarHBondContact O-N 2.97Å; E982-N984 VanDerWaalsContact C-N 3.31Å; E982-N984 PolarHBondContact O-N 3.2Å; E982-L985 PolarHBondContact O-N 3.45Å; E982-H986 PolarHBondContact O-CD2 3.48Å; E982-H986 PolarHBondContact O-N 3.08Å
983	G	89.1	Confident	80.4	Confident	47 Å²	47	70.2 Å²	70.2	49%	0.485	35%	0.345	S	S	.	.	H	α-helix	trans	-61.2	-36.6	-179.4	0	0	0	0	0	113.7	K979 W980	K979-G983 PolarHBondContact O-N 2.9Å; K979-G983 VanDerWaalsContact O-N 3.09Å; W980-G983 PolarHBondContact O-N 3.44Å
984	N	86.8	Confident	79.8	Confident	36 Å²	36	74 Å²	74	19%	0.193	36%	0.362	C	S	.	.	H	α-helix	trans	-83	-29.6	-178.4	-75.8	-87.4	0	0	0	113.2	W980 V981 E982 S987	W980-N984 VanDerWaalsContact CE2-ND2 3.35Å; W980-N984 HydrophobicContact CH2-CB 4.34Å; W980-N984 HydrophobicContact CZ3-CB 4.24Å; W980-N984 PolarHBondContact O-N 2.86Å; W980-N984 VanDerWaalsContact O-N 3.15Å; W980-N984 PolarHBondContact O-ND2 3.18Å; V981-N984 PolarHBondContact O-N 2.68Å; E982-N984 VanDerWaalsContact C-N 3.31Å; E982-N984 PolarHBondContact O-N 3.2Å; N984-S987 PolarHBondContact O-OG 2.87Å
985	L	79.4	Confident	79.1	Confident	34 Å²	34	74.7 Å²	74.7	18%	0.178	37%	0.367	C	S	.	.	H	α-helix	trans	-67.7	-42.3	173.3	-83.6	161.1	0	0	0	112	M745 F749 V981 E982 S987 H988	M745-L985 HydrophobicContact CB-CD1 4.34Å; F749-L985 HydrophobicContact CB-CD1 4.48Å; F749-L985 HydrophobicContact CB-CD2 4.41Å; F749-L985 HydrophobicContact CB-CG 4.43Å; V981-L985 HydrophobicContact CG1-CD1 3.38Å; V981-L985 HydrophobicContact CG1-CG 4.18Å; V981-L985 WeakPolarHBondContact O-CB 3.38Å; V981-L985 WeakPolarHBondContact O-CG 3.37Å; V981-L985 PolarHBondContact O-N 3.11Å; E982-L985 PolarHBondContact O-N 3.45Å; L985-S987 VanDerWaalsContact C-N 3.28Å; L985-S987 PolarHBondContact O-N 3.2Å; L985-H988 PolarHBondContact O-N 2.6Å
986	H	60.5	Low	78.3	Confident	123 Å²	123	74.6 Å²	74.6	57%	0.569	36%	0.36	S	S	*	.	H	α-helix	trans	-70	-22.7	-179.6	-72.5	-57.5	0	0	0	113.9	E982 H988	E982-H986 PolarHBondContact O-CD2 3.48Å; E982-H986 PolarHBondContact O-N 3.08Å; H986-H988 VanDerWaalsContact C-N 3.3Å; H986-H988 PolarHBondContact O-N 2.9Å
987	S	53.7	Low	77.3	Confident	78 Å²	78	78.7 Å²	78.7	55%	0.545	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-14.1	176.5	73.6	0	0	0	0	114.5	N984 L985	N984-S987 PolarHBondContact O-OG 2.87Å; L985-S987 VanDerWaalsContact C-N 3.28Å; L985-S987 PolarHBondContact O-N 3.2Å
988	H	47.2	Very low	76.1	Confident	107 Å²	107	84.9 Å²	84.9	50%	0.495	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-8.1	-175.4	-76.2	32.2	0	0	0	113.7	L985 H986	L985-H988 PolarHBondContact O-N 2.6Å; H986-H988 VanDerWaalsContact C-N 3.3Å; H986-H988 PolarHBondContact O-N 2.9Å
989	R	37.6	Very low	74.6	Confident	275 Å²	275	85.1 Å²	85.1	100%	1.038	41%	0.413	S	S	*	.			trans	-96	0	165.3	-75.3	-173.6	178.1	-178.2	1.2	108.9

Retrieved 989 of 989 residues in 1567 ms (Link to these results)

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