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Inorganic triphosphatase

Involved in the hydrolysis of the beta-gamma-phosphoanhydride linkage of triphosphate-containing substrates (inorganic or nucleoside-linked). Catalyzes the hydrolysis of inorganic triphosphate (PPPi), which could be cytotoxic because of its high affinity for calcium ion, thereby interfering with calcium signaling. It also hydrolyzes slowly thiamine triphosphate (ThTP). YgiF is a specific PPPase, but it contributes only marginally to the total PPPase activity in E.coli, where the main enzyme responsible for hydrolysis of PPPi is inorganic pyrophosphatase (PPase).

AlphaFold DB , UniProt , Accession P30871, Species ECOLI (Escherichia coli (strain K12)), Gene ygiF, Length 433 aa.

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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	81.1	Confident	95.2	Very high	81 Å²	81	30.5 Å²	30.5	40%	0.399	17%	0.165	S	C	.	.				0	153.3	0	-68.9	-179.1	-77.5	0	0	110.8	V70 P82 E101 V102	M1-V70 HydrophobicContact CE-CG2 3.98Å; M1-V70 HydrophobicContact SD-CG1 4.41Å; M1-V70 HydrophobicContact SD-CG2 4.09Å; M1-P82 HydrophobicContact CB-CB 4.03Å; M1-P82 HydrophobicContact CE-CB 3.99Å; M1-P82 HydrophobicContact SD-CB 4.2Å; M1-E101 HydrophobicContact CE-CB 4.32Å; M1-E101 PolarHBondContact N-OE2 2.88Å; M1-V102 HydrophobicContact SD-CG2 3.78Å
2	A	89.8	Confident	95.5	Very high	56 Å²	56	31.4 Å²	31.4	46%	0.463	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	159.4	171.4	0	0	0	0	0	109.9	P82 E83	A2-P82 CarbonylContact O-C 3.6Å; A2-P82 VanDerWaalsContact O-CA 3.22Å; A2-P82 WeakPolarHBondContact O-CA 3.27Å; A2-E83 HydrophobicContact CB-CG 4.48Å; A2-E83 PolarHBondContact N-O 3.2Å; A2-E83 PolarHBondContact O-N 2.88Å
3	Q	92.3	Very high	95.7	Very high	121 Å²	121	40.1 Å²	40.1	57%	0.565	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	113.7	176.4	-77.1	-70.5	-12.1	0	0	109.2
4	E	95.5	Very high	95.8	Very high	13 Å²	13	44.4 Å²	44.4	6%	0.061	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	130.1	168.9	-178.5	-172.6	-124.2	0	0	108.7	K69 Q80 R81 E83	E4-K69 IonicContact OE1-NZ 2.72Å; E4-K69 PolarHBondContact OE1-NZ 3.16Å; E4-K69 WeakPolarHBondContact OE2-CE 3.15Å; E4-K69 IonicContact OE2-NZ 3.74Å; E4-K69 PolarHBondContact OE2-NZ 3.17Å; E4-Q80 CarbonylContact O-C 3.51Å; E4-Q80 VanDerWaalsContact O-CA 3.28Å; E4-Q80 WeakPolarHBondContact O-CA 3.31Å; E4-R81 PolarHBondContact N-O 3.05Å; E4-R81 PolarHBondContact O-N 2.95Å; E4-E83 HydrophobicContact CB-CG 4.07Å
5	I	97.3	Very high	96	Very high	30 Å²	30	42.5 Å²	42.5	15%	0.154	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	111.1	171.9	-59.7	178.3	0	0	0	107.4	L78 H79 Q80 L163 T168	I5-L78 HydrophobicContact CG2-CD1 4.05Å; I5-H79 WeakPolarHBondContact CA-O 3.37Å; I5-Q80 HydrophobicContact CG1-CG 4.19Å; I5-Q80 HydrophobicContact CG2-CG 4.26Å; I5-L163 HydrophobicContact CB-CB 4.24Å; I5-L163 HydrophobicContact CD1-CD2 4.41Å; I5-L163 HydrophobicContact CG2-CB 4.4Å; I5-L163 HydrophobicContact CG2-CD2 4.47Å; I5-L163 PolarHBondContact O-N 3.39Å; I5-T168 HydrophobicContact CG2-CG2 4.32Å
6	E	97.8	Very high	96.1	Very high	5 Å²	5	40.1 Å²	40.1	2%	0.023	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	143.9	-179.8	63	166.7	-158.8	0	0	111.6	K8 L78 H79 L161 E162	E6-K8 IonicContact OE1-NZ 3.1Å; E6-K8 PolarHBondContact OE1-NZ 3.49Å; E6-K8 IonicContact OE2-NZ 2.8Å; E6-L78 CarbonylContact O-C 3.57Å; E6-L78 WeakPolarHBondContact O-CA 3.41Å; E6-H79 HydrophobicContact CG-CB 3.79Å; E6-H79 PolarHBondContact N-O 3.2Å; E6-H79 PolarHBondContact O-N 3.24Å; E6-H79 IonicContact OE1-CD2 3.14Å; E6-H79 IonicContact OE1-CG 3.03Å; E6-L161 CarbonylContact C-O 3.56Å; E6-L161 VanDerWaalsContact CA-O 3.3Å; E6-L161 WeakPolarHBondContact CA-O 3.42Å; E6-E162 HydrophobicContact CB-CB 4.29Å; E6-E162 HydrophobicContact CB-CG 4.43Å
7	L	98.6	Very high	96.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	117.8	169.1	177.9	57.3	0	0	0	109.8	F9 G77 L78 L161 V171 L172 A175 Q186 L311	L7-F9 HydrophobicContact CD1-CE2 4.49Å; L7-F9 HydrophobicContact CD1-CZ 4.47Å; L7-F9 HydrophobicContact CD2-CE2 3.78Å; L7-F9 HydrophobicContact CD2-CZ 3.79Å; L7-F9 HydrophobicContact CG-CD2 4.43Å; L7-F9 HydrophobicContact CG-CE2 3.63Å; L7-F9 HydrophobicContact CG-CZ 3.94Å; L7-G77 WeakPolarHBondContact CA-O 3.49Å; L7-L78 HydrophobicContact CB-CD1 4.11Å; L7-L78 HydrophobicContact CD1-CB 4.32Å; L7-L161 HydrophobicContact CB-CB 4.31Å; L7-L161 HydrophobicContact CD2-CD1 4.4Å; L7-L161 PolarHBondContact N-O 2.93Å; L7-L161 PolarHBondContact O-N 2.84Å; L7-V171 HydrophobicContact CB-CG1 3.59Å; L7-V171 HydrophobicContact CD2-CG1 4.17Å; L7-L172 HydrophobicContact CD2-CD2 4.35Å; L7-A175 HydrophobicContact CD2-CB 3.51Å; L7-Q186 HydrophobicContact CD1-CG 4.41Å; L7-L311 HydrophobicContact CD2-CD1 4.28Å
8	K	98.8	Very high	96.4	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.009	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.8	-176.4	-167.3	178	-47.6	-50.7	0	112.3	E6 G77 H79 L159 E160 Q186 G187	E6-K8 IonicContact OE1-NZ 3.1Å; E6-K8 PolarHBondContact OE1-NZ 3.49Å; E6-K8 IonicContact OE2-NZ 2.8Å; K8-G77 PolarHBondContact N-O 3.29Å; K8-H79 WeakPolarHBondContact CE-NE2 3.44Å; K8-L159 CarbonylContact C-O 3.57Å; K8-L159 WeakPolarHBondContact CA-O 3.37Å; K8-E160 HydrophobicContact CG-CG 4.28Å; K8-E160 VanDerWaalsContact NZ-CD 3.27Å; K8-E160 IonicContact NZ-OE1 3.93Å; K8-E160 PolarHBondContact NZ-OE1 3.22Å; K8-Q186 WeakPolarHBondContact O-CA 3.42Å; K8-G187 PolarHBondContact O-N 3.4Å
9	F	98.8	Very high	96.5	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.009	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.9	166.6	-60.9	-90.7	0	0	0	110.4	L7 E158 L159 L161 A175 V179 L184 R185 Q186	L7-F9 HydrophobicContact CD1-CE2 4.49Å; L7-F9 HydrophobicContact CD1-CZ 4.47Å; L7-F9 HydrophobicContact CD2-CE2 3.78Å; L7-F9 HydrophobicContact CD2-CZ 3.79Å; L7-F9 HydrophobicContact CG-CD2 4.43Å; L7-F9 HydrophobicContact CG-CE2 3.63Å; L7-F9 HydrophobicContact CG-CZ 3.94Å; F9-E158 CarbonylContact O-C 3.52Å; F9-E158 WeakPolarHBondContact O-CA 3.43Å; F9-E158 VanDerWaalsContact O-CB 3.23Å; F9-E158 WeakPolarHBondContact O-CB 3.37Å; F9-L159 HydrophobicContact CB-CB 4.29Å; F9-L159 HydrophobicContact CD2-CD2 4.44Å; F9-L159 PolarHBondContact N-O 3.12Å; F9-L159 PolarHBondContact O-N 3.36Å; F9-L161 HydrophobicContact CE2-CD1 3.95Å; F9-L161 HydrophobicContact CE2-CG 4.39Å; F9-A175 HydrophobicContact CE2-CB 4.21Å; F9-A175 HydrophobicContact CZ-CB 3.88Å; F9-V179 HydrophobicContact CE1-CG1 3.81Å; F9-V179 HydrophobicContact CZ-CG1 4.2Å; F9-L184 HydrophobicContact CB-CB 4.36Å; F9-L184 HydrophobicContact CB-CD2 4.22Å; F9-L184 HydrophobicContact CD1-CB 3.98Å; F9-L184 HydrophobicContact CG-CB 4.37Å; F9-R185 CarbonylContact C-O 3.54Å; F9-R185 WeakPolarHBondContact CA-O 3.35Å; F9-Q186 HydrophobicContact CD1-CG 4.11Å; F9-Q186 HydrophobicContact CE1-CG 3.71Å; F9-Q186 HydrophobicContact CZ-CG 4.39Å
10	I	98.8	Very high	96.6	Very high	22 Å²	22	43 Å²	43	11%	0.113	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	135.9	161	-51.5	-55	0	0	0	107	E158 R185 Y302	I10-E158 HydrophobicContact CD1-CB 4.04Å; I10-R185 HydrophobicContact CB-CG 3.96Å; I10-R185 PolarHBondContact N-O 3.35Å; I10-R185 PolarHBondContact O-N 3.02Å; I10-R185 VanDerWaalsContact O-N 3.1Å; I10-Y302 WeakPolarHBondContact CG2-OH 3.22Å; I10-Y302 WeakPolarHBondContact O-CE1 3.12Å
11	V	98.8	Very high	96.6	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	126	-178	-177.6	0	0	0	0	108.1	H13 V16 L19 L142 C157 L159 G183 L184	V11-H13 PolarHBondContact O-N 3.39Å; V11-V16 HydrophobicContact CG1-CG2 3.93Å; V11-L19 HydrophobicContact CB-CD2 4.45Å; V11-L19 HydrophobicContact CG1-CD2 3.85Å; V11-L19 HydrophobicContact CG2-CD2 3.66Å; V11-L142 HydrophobicContact CG2-CD1 4.32Å; V11-C157 PolarHBondContact N-O 3.43Å; V11-C157 PolarHBondContact O-SG 3.27Å; V11-L159 HydrophobicContact CG2-CB 3.88Å; V11-G183 CarbonylContact C-O 3.5Å; V11-G183 WeakPolarHBondContact CA-O 3.3Å; V11-L184 HydrophobicContact CB-CD2 4.47Å; V11-L184 HydrophobicContact CG1-CD2 4.47Å; V11-L184 HydrophobicContact CG2-CD2 3.77Å
12	N	98.5	Very high	97.4	Very high	41 Å²	41	43.5 Å²	43.5	22%	0.219	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-61.2	126.8	168.9	-175.6	14.5	0	0	0	108.7	S14 A15 G183 Y302	N12-S14 PolarHBondContact ND2-OG 3.37Å; N12-S14 PolarHBondContact O-N 3.24Å; N12-A15 HydrophobicContact CB-CB 4.45Å; N12-A15 WeakPolarHBondContact O-CB 3.47Å; N12-A15 PolarHBondContact O-N 3.35Å; N12-G183 PolarHBondContact N-O 3.44Å; N12-Y302 HydrophobicContact CB-CD1 3.85Å; N12-Y302 HydrophobicContact CB-CD2 3.87Å; N12-Y302 HydrophobicContact CB-CE1 3.85Å; N12-Y302 HydrophobicContact CB-CE2 3.88Å; N12-Y302 HydrophobicContact CB-CG 3.84Å
13	H	97.9	Very high	97.8	Very high	144 Å²	144	40.9 Å²	40.9	67%	0.667	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-54.1	-37.1	-170.5	-171.9	67.9	0	0	0	113.2	V11 A15 V16	V11-H13 PolarHBondContact O-N 3.39Å; H13-A15 PolarHBondContact O-N 2.98Å; H13-V16 WeakPolarHBondContact O-CG2 3.37Å; H13-V16 PolarHBondContact O-N 2.91Å
14	S	97.8	Very high	98.1	Very high	101 Å²	101	38.7 Å²	38.7	71%	0.706	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-69.8	-11.7	178.2	64	0	0	0	0	114.9	N12	N12-S14 PolarHBondContact ND2-OG 3.37Å; N12-S14 PolarHBondContact O-N 3.24Å
15	A	98.2	Very high	98.2	Very high	15 Å²	15	43 Å²	43	12%	0.124	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-99.6	-3.4	-177.4	0	0	0	0	0	113.4	N12 H13 E17 A18 L19	N12-A15 HydrophobicContact CB-CB 4.45Å; N12-A15 WeakPolarHBondContact O-CB 3.47Å; N12-A15 PolarHBondContact O-N 3.35Å; H13-A15 PolarHBondContact O-N 2.98Å; A15-E17 PolarHBondContact O-N 2.68Å; A15-A18 PolarHBondContact O-N 2.52Å; A15-L19 WeakPolarHBondContact O-CB 3.45Å; A15-L19 PolarHBondContact O-N 2.9Å
16	V	98.5	Very high	98.2	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.024	24%	0.241	C	C	.	.	H	α-helix	trans	-56.9	-49.9	-174.9	163.3	0	0	0	0	112.9	V11 H13 L19 R20 C157	V11-V16 HydrophobicContact CG1-CG2 3.93Å; H13-V16 WeakPolarHBondContact O-CG2 3.37Å; H13-V16 PolarHBondContact O-N 2.91Å; V16-L19 WeakPolarHBondContact O-CB 3.5Å; V16-L19 PolarHBondContact O-N 3.33Å; V16-R20 PolarHBondContact O-N 2.88Å; V16-C157 VanDerWaalsContact CG2-SG 3.56Å
17	E	98.2	Very high	97.9	Very high	117 Å²	117	46.9 Å²	46.9	55%	0.547	28%	0.276	S	S	.	.	H	α-helix	trans	-63.6	-47.3	-177.3	-64.2	-55.1	126.9	0	0	111.3	A15 L19 R20 D21	A15-E17 PolarHBondContact O-N 2.68Å; E17-L19 VanDerWaalsContact C-N 3.28Å; E17-L19 PolarHBondContact O-N 3.35Å; E17-R20 PolarHBondContact O-N 2.96Å; E17-R20 IonicContact OE1-CZ 2.57Å; E17-R20 IonicContact OE1-NH1 2.64Å; E17-R20 PolarHBondContact OE1-NH1 3.06Å; E17-R20 IonicContact OE1-NH2 3.96Å; E17-R20 IonicContact OE2-NH1 2.73Å; E17-R20 PolarHBondContact OE2-NH1 2.84Å; E17-D21 PolarHBondContact O-N 3.24Å
18	A	98	Very high	97.8	Very high	56 Å²	56	48.1 Å²	48.1	46%	0.463	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-35.8	176.6	0	0	0	0	0	112.3	A15 H22	A15-A18 PolarHBondContact O-N 2.52Å; A18-H22 WeakPolarHBondContact O-CB 3.37Å; A18-H22 PolarHBondContact O-N 3.1Å
19	L	98.4	Very high	97.7	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-64.9	-48.9	173.8	178.2	63.7	0	0	0	111.1	V11 A15 V16 E17 D21 H22 L23 L142 L159 L184	V11-L19 HydrophobicContact CB-CD2 4.45Å; V11-L19 HydrophobicContact CG1-CD2 3.85Å; V11-L19 HydrophobicContact CG2-CD2 3.66Å; A15-L19 WeakPolarHBondContact O-CB 3.45Å; A15-L19 PolarHBondContact O-N 2.9Å; V16-L19 WeakPolarHBondContact O-CB 3.5Å; V16-L19 PolarHBondContact O-N 3.33Å; E17-L19 VanDerWaalsContact C-N 3.28Å; E17-L19 PolarHBondContact O-N 3.35Å; L19-D21 VanDerWaalsContact C-N 3.33Å; L19-D21 PolarHBondContact O-N 3.1Å; L19-H22 PolarHBondContact O-N 3.22Å; L19-L23 HydrophobicContact CD1-CD1 4.42Å; L19-L23 HydrophobicContact CD1-CG 4.26Å; L19-L23 HydrophobicContact CG-CD1 4.16Å; L19-L23 HydrophobicContact CG-CG 4.41Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.46Å; L19-L23 PolarHBondContact O-N 2.93Å; L19-L142 HydrophobicContact CD2-CD1 4.04Å; L19-L159 HydrophobicContact CD1-CD2 4.33Å; L19-L159 HydrophobicContact CD2-CB 4.49Å; L19-L159 HydrophobicContact CD2-CD1 4.35Å; L19-L159 HydrophobicContact CD2-CD2 4.36Å; L19-L184 HydrophobicContact CD1-CD1 4.36Å; L19-L184 HydrophobicContact CD1-CD2 4.29Å; L19-L184 HydrophobicContact CD2-CD2 3.9Å
20	R	98.3	Very high	97.7	Very high	44 Å²	44	56.7 Å²	56.7	17%	0.166	33%	0.329	C	S	.	.	H	α-helix	trans	-58.6	-45.3	177.7	-172.3	-175.5	-63.9	107.3	-1.9	111.5	V16 E17 H22 L23 N24 E127 W129 L142	V16-R20 PolarHBondContact O-N 2.88Å; E17-R20 PolarHBondContact O-N 2.96Å; E17-R20 IonicContact OE1-CZ 2.57Å; E17-R20 IonicContact OE1-NH1 2.64Å; E17-R20 PolarHBondContact OE1-NH1 3.06Å; E17-R20 IonicContact OE1-NH2 3.96Å; E17-R20 IonicContact OE2-NH1 2.73Å; E17-R20 PolarHBondContact OE2-NH1 2.84Å; R20-H22 VanDerWaalsContact C-N 3.33Å; R20-H22 PolarHBondContact O-N 2.84Å; R20-L23 PolarHBondContact O-N 3.48Å; R20-N24 PolarHBondContact O-N 3.05Å; R20-N24 PolarHBondContact O-ND2 3.01Å; R20-E127 WeakPolarHBondContact CD-OE2 3.39Å; R20-E127 IonicContact CZ-OE2 3.61Å; R20-E127 IonicContact NE-OE1 2.75Å; R20-E127 IonicContact NE-OE2 3.73Å; R20-E127 PolarHBondContact NE-OE2 2.78Å; R20-E127 IonicContact NH2-OE2 3.8Å; R20-W129 HydrophobicContact CG-CH2 4.21Å; R20-W129 HydrophobicContact CG-CZ2 3.96Å; R20-L142 HydrophobicContact CB-CD2 4.44Å
21	D	97.9	Very high	97.7	Very high	103 Å²	103	59.4 Å²	59.4	55%	0.551	34%	0.341	S	S	*	.	H	α-helix	trans	-57.2	-46.6	175.7	-74	-16.7	0	0	0	111.2	E17 L19 N24 T25	E17-D21 PolarHBondContact O-N 3.24Å; L19-D21 VanDerWaalsContact C-N 3.33Å; L19-D21 PolarHBondContact O-N 3.1Å; D21-N24 PolarHBondContact O-N 3.01Å; D21-T25 WeakPolarHBondContact O-CG2 3.46Å; D21-T25 PolarHBondContact O-N 3.39Å
22	H	98.1	Very high	97.6	Very high	32 Å²	32	65 Å²	65	15%	0.148	37%	0.371	C	S	.	.	H	α-helix	trans	-63	-45.6	176.6	-177	-170.8	0	0	0	111.9	A18 L19 R20 N24 T25 Q181	A18-H22 WeakPolarHBondContact O-CB 3.37Å; A18-H22 PolarHBondContact O-N 3.1Å; L19-H22 PolarHBondContact O-N 3.22Å; R20-H22 VanDerWaalsContact C-N 3.33Å; R20-H22 PolarHBondContact O-N 2.84Å; H22-N24 VanDerWaalsContact C-N 3.26Å; H22-N24 PolarHBondContact O-N 3Å; H22-T25 WeakPolarHBondContact O-CB 3.48Å; H22-T25 PolarHBondContact O-N 2.85Å; H22-T25 PolarHBondContact O-OG1 3.26Å; H22-Q181 VanDerWaalsContact ND1-CD 3.33Å; H22-Q181 PolarHBondContact ND1-NE2 2.61Å; H22-Q181 VanDerWaalsContact ND1-NE2 3.15Å; H22-Q181 PolarHBondContact ND1-OE1 2.92Å
23	L	98.2	Very high	97.6	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-58.9	-38.3	178.4	-68.1	177.1	0	0	0	112.1	L19 R20 T25 L26 W129 I140 L159 L178	L19-L23 HydrophobicContact CD1-CD1 4.42Å; L19-L23 HydrophobicContact CD1-CG 4.26Å; L19-L23 HydrophobicContact CG-CD1 4.16Å; L19-L23 HydrophobicContact CG-CG 4.41Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.46Å; L19-L23 PolarHBondContact O-N 2.93Å; R20-L23 PolarHBondContact O-N 3.48Å; L23-T25 PolarHBondContact O-N 3.25Å; L23-L26 HydrophobicContact CD2-CD1 3.81Å; L23-L26 WeakPolarHBondContact O-CB 3.35Å; L23-L26 WeakPolarHBondContact O-CG 3.34Å; L23-L26 PolarHBondContact O-N 3.38Å; L23-L26 VanDerWaalsContact O-N 3.08Å; L23-W129 HydrophobicContact CB-CD2 4.02Å; L23-W129 HydrophobicContact CB-CE3 4.43Å; L23-W129 HydrophobicContact CB-CH2 4.43Å; L23-W129 HydrophobicContact CB-CZ2 4.01Å; L23-W129 HydrophobicContact CD1-CD2 4.28Å; L23-W129 HydrophobicContact CD1-CE3 3.84Å; L23-W129 HydrophobicContact CD1-CH2 3.82Å; L23-W129 HydrophobicContact CD1-CZ2 4.25Å; L23-W129 HydrophobicContact CD1-CZ3 3.6Å; L23-I140 HydrophobicContact CD1-CG2 4.04Å; L23-I140 HydrophobicContact CD2-CD1 4.01Å; L23-I140 HydrophobicContact CD2-CG2 3.96Å; L23-L159 HydrophobicContact CD1-CD1 3.81Å; L23-L178 HydrophobicContact CD2-CD2 3.79Å
24	N	97.7	Very high	97.6	Very high	76 Å²	76	60.6 Å²	60.6	41%	0.406	36%	0.357	S	S	.	.	H	α-helix	trans	-64	-19.7	175.4	-74.8	-31.5	0	0	0	113.9	R20 D21 H22 L26 W129	R20-N24 PolarHBondContact O-N 3.05Å; R20-N24 PolarHBondContact O-ND2 3.01Å; D21-N24 PolarHBondContact O-N 3.01Å; H22-N24 VanDerWaalsContact C-N 3.26Å; H22-N24 PolarHBondContact O-N 3Å; N24-L26 VanDerWaalsContact C-N 3.33Å; N24-W129 PolarHBondContact OD1-NE1 3.21Å
25	T	97.5	Very high	97.7	Very high	103 Å²	103	58.9 Å²	58.9	63%	0.632	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.5	174.9	72.2	0	0	0	0	114	D21 H22 L23 G27	D21-T25 WeakPolarHBondContact O-CG2 3.46Å; D21-T25 PolarHBondContact O-N 3.39Å; H22-T25 WeakPolarHBondContact O-CB 3.48Å; H22-T25 PolarHBondContact O-N 2.85Å; H22-T25 PolarHBondContact O-OG1 3.26Å; L23-T25 PolarHBondContact O-N 3.25Å; T25-G27 PolarHBondContact O-N 3.47Å
26	L	96.4	Very high	97.7	Very high	41 Å²	41	58.4 Å²	58.4	22%	0.215	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-14.4	-175.8	-59.8	179.8	0	0	0	113.4	L23 N24 G28 V131 I140 L174	L23-L26 HydrophobicContact CD2-CD1 3.81Å; L23-L26 WeakPolarHBondContact O-CB 3.35Å; L23-L26 WeakPolarHBondContact O-CG 3.34Å; L23-L26 PolarHBondContact O-N 3.38Å; L23-L26 VanDerWaalsContact O-N 3.08Å; N24-L26 VanDerWaalsContact C-N 3.33Å; L26-G28 VanDerWaalsContact C-N 3.3Å; L26-G28 PolarHBondContact O-N 2.81Å; L26-V131 HydrophobicContact CB-CG1 4.28Å; L26-I140 HydrophobicContact CD1-CD1 3.64Å; L26-L174 HydrophobicContact CD1-CD1 4.29Å
27	G	93.1	Very high	97.7	Very high	75 Å²	75	62.3 Å²	62.3	77%	0.773	35%	0.353	S	S	*	.			trans	71.1	20.7	179.4	0	0	0	0	0	114.6	T25	T25-G27 PolarHBondContact O-N 3.47Å
28	G	95	Very high	97.7	Very high	26 Å²	26	56.9 Å²	56.9	27%	0.268	33%	0.328	S	S	.	.			trans	-77.3	169.9	173.3	0	0	0	0	0	113.6	L26 H30 L130	L26-G28 VanDerWaalsContact C-N 3.3Å; L26-G28 PolarHBondContact O-N 2.81Å; G28-H30 PolarHBondContact O-N 3.4Å; G28-L130 CarbonylContact C-O 3.52Å; G28-L130 WeakPolarHBondContact CA-O 3.48Å
29	E	97.8	Very high	97.7	Very high	115 Å²	115	57.8 Å²	57.8	54%	0.537	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	113.3	170.1	-176.2	-172.6	162.1	0	0	109.1	H31 W129 L130	E29-H31 IonicContact OE1-CD2 3.2Å; E29-H31 IonicContact OE1-CE1 3.25Å; E29-H31 IonicContact OE1-NE2 2.71Å; E29-H31 PolarHBondContact OE1-NE2 3.36Å; E29-W129 CarbonylContact O-C 3.53Å; E29-W129 VanDerWaalsContact O-CA 3.28Å; E29-W129 WeakPolarHBondContact O-CA 3.46Å; E29-L130 HydrophobicContact CB-CB 4.23Å; E29-L130 PolarHBondContact N-O 3.2Å; E29-L130 PolarHBondContact O-N 3.01Å
30	H	98.4	Very high	97.7	Very high	70 Å²	70	58.3 Å²	58.3	32%	0.324	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	136.3	-178	170.5	-111.8	0	0	0	111.7	G28 D32 E127 K128 W129	G28-H30 PolarHBondContact O-N 3.4Å; H30-D32 IonicContact CE1-OD1 2.87Å; H30-E127 IonicContact CD2-OE1 2.71Å; H30-E127 IonicContact CE1-OE1 2.92Å; H30-E127 IonicContact NE2-OE1 3.77Å; H30-E127 PolarHBondContact NE2-OE1 2.95Å; H30-K128 CarbonylContact C-O 3.55Å; H30-K128 WeakPolarHBondContact CA-O 3.48Å; H30-K128 PolarHBondContact CD2-O 2.88Å; H30-W129 AromaticContact CD2-CD1 3.76Å; H30-W129 AromaticContact CD2-CE2 3.39Å; H30-W129 AromaticContact CD2-CZ2 3.73Å; H30-W129 AromaticContact CD2-NE1 3.21Å; H30-W129 PolarHBondContact CD2-NE1 2.83Å; H30-W129 AromaticContact CG-NE1 3.82Å; H30-W129 AromaticContact NE2-CZ2 3.92Å
31	H	98.3	Very high	97.8	Very high	78 Å²	78	57.7 Å²	57.7	36%	0.361	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.5	169.7	-57.3	161.5	0	0	0	110.1	E29 K128	E29-H31 IonicContact OE1-CD2 3.2Å; E29-H31 IonicContact OE1-CE1 3.25Å; E29-H31 IonicContact OE1-NE2 2.71Å; E29-H31 PolarHBondContact OE1-NE2 3.36Å; H31-K128 HydrophobicContact CB-CB 4.33Å; H31-K128 PolarHBondContact N-O 3.43Å; H31-K128 PolarHBondContact O-N 2.94Å; H31-K128 VanDerWaalsContact O-N 3.13Å
32	D	97.8	Very high	97.8	Very high	121 Å²	121	53 Å²	53	65%	0.647	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.6	156.9	176.4	-75	-50.6	0	0	0	112.9	H30 V34	H30-D32 IonicContact CE1-OD1 2.87Å; D32-V34 PolarHBondContact O-N 2.96Å
33	P	98.3	Very high	97.8	Very high	61 Å²	61	51.6 Å²	51.6	40%	0.396	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	130.2	-177.8	-21.6	29.7	0	0	0	113.6	Y125 R126 E127	P33-Y125 HydrophobicContact CB-CD1 4.35Å; P33-R126 WeakPolarHBondContact CA-O 3.45Å; P33-E127 HydrophobicContact CB-CB 4.4Å; P33-E127 HydrophobicContact CG-CB 4Å; P33-E127 HydrophobicContact CG-CG 4Å
34	V	98.4	Very high	97.8	Very high	32 Å²	32	57 Å²	57	19%	0.194	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.3	172.2	-62.9	0	0	0	0	110.7	D32 L36 Y125 R126	D32-V34 PolarHBondContact O-N 2.96Å; V34-L36 HydrophobicContact CG2-CD2 4.26Å; V34-Y125 CarbonylContact O-C 3.54Å; V34-Y125 VanDerWaalsContact O-CA 3.31Å; V34-Y125 WeakPolarHBondContact O-CA 3.37Å; V34-R126 PolarHBondContact N-O 3.05Å; V34-R126 PolarHBondContact O-N 3.29Å
35	Q	98.6	Very high	97.8	Very high	66 Å²	66	57.8 Å²	57.8	31%	0.308	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	126.7	176.5	-167.4	-179.6	18.7	0	0	110.5	L37 D123 Y125	Q35-L37 HydrophobicContact CG-CD2 4.23Å; Q35-L37 HydrophobicContact CG-CG 4.45Å; Q35-D123 PolarHBondContact NE2-OD1 2.95Å; Q35-D123 PolarHBondContact NE2-OD2 2.8Å; Q35-Y125 HydrophobicContact CB-CD1 4.12Å; Q35-Y125 HydrophobicContact CB-CE1 3.82Å; Q35-Y125 HydrophobicContact CG-CE1 4.37Å; Q35-Y125 HydrophobicContact CG-CE2 4.4Å
36	L	98.6	Very high	97.8	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.026	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115.1	174.3	-60.3	-175.1	0	0	0	109.8	V34 N38 E60 F124 R126	V34-L36 HydrophobicContact CG2-CD2 4.26Å; L36-N38 PolarHBondContact O-ND2 3.1Å; L36-E60 HydrophobicContact CD2-CB 3.87Å; L36-E60 HydrophobicContact CD2-CG 3.8Å; L36-F124 HydrophobicContact CB-CE2 4.19Å; L36-F124 HydrophobicContact CB-CZ 4.16Å; L36-F124 HydrophobicContact CD1-CE2 3.85Å; L36-F124 HydrophobicContact CD1-CZ 4.07Å; L36-F124 HydrophobicContact CG-CE2 4.44Å; L36-F124 PolarHBondContact N-O 2.96Å; L36-F124 PolarHBondContact O-N 3.32Å; L36-R126 HydrophobicContact CD1-CB 3.9Å; L36-R126 HydrophobicContact CG-CB 4.35Å
37	L	98.4	Very high	97.8	Very high	85 Å²	85	55.6 Å²	55.6	45%	0.445	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	119.5	177.5	-63.2	178.1	0	0	0	109.2	Q35 R58 G59 D123	Q35-L37 HydrophobicContact CG-CD2 4.23Å; Q35-L37 HydrophobicContact CG-CG 4.45Å; L37-R58 CarbonylContact O-C 3.54Å; L37-R58 WeakPolarHBondContact O-CA 3.49Å; L37-G59 PolarHBondContact N-O 2.83Å; L37-G59 PolarHBondContact O-N 3.47Å; L37-D123 HydrophobicContact CD2-CB 4Å; L37-D123 WeakPolarHBondContact CD2-OD1 3.3Å; L37-D123 WeakPolarHBondContact CD2-OD2 3.48Å
38	N	98.6	Very high	98.1	Very high	3 Å²	3	52 Å²	52	2%	0.016	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.8	-178.9	-44.5	-110.6	0	0	0	110.2	L36 Y40 I57 R58 S121 T122 F124	L36-N38 PolarHBondContact O-ND2 3.1Å; N38-Y40 HydrophobicContact CB-CD2 4.48Å; N38-Y40 HydrophobicContact CB-CE2 4.02Å; N38-I57 VanDerWaalsContact CA-O 3.29Å; N38-I57 WeakPolarHBondContact CA-O 3.26Å; N38-R58 WeakPolarHBondContact OD1-CB 3.41Å; N38-R58 WeakPolarHBondContact OD1-CG 3.37Å; N38-R58 PolarHBondContact OD1-NE 3.2Å; N38-S121 CarbonylContact O-C 3.56Å; N38-S121 WeakPolarHBondContact O-CA 3.18Å; N38-S121 VanDerWaalsContact O-CB 3.28Å; N38-S121 WeakPolarHBondContact O-CB 3.41Å; N38-T122 VanDerWaalsContact CB-OG1 3.29Å; N38-T122 WeakPolarHBondContact CB-OG1 3.38Å; N38-T122 PolarHBondContact N-O 2.87Å; N38-T122 PolarHBondContact ND2-O 3.09Å; N38-T122 PolarHBondContact ND2-OG1 3.1Å; N38-T122 VanDerWaalsContact ND2-OG1 3.14Å; N38-T122 PolarHBondContact O-N 2.78Å; N38-F124 WeakPolarHBondContact ND2-CE1 3.33Å
39	I	98.6	Very high	98.2	Very high	75 Å²	75	55.5 Å²	55.5	39%	0.385	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.4	170.1	-62.4	177	0	0	0	107.7	Y41 R56 I57 P118	I39-Y41 HydrophobicContact CB-CE2 4.23Å; I39-Y41 HydrophobicContact CG2-CD2 4.36Å; I39-Y41 HydrophobicContact CG2-CE2 3.83Å; I39-R56 CarbonylContact O-C 3.51Å; I39-R56 WeakPolarHBondContact O-CA 3.33Å; I39-R56 WeakPolarHBondContact O-CB 3.13Å; I39-I57 PolarHBondContact N-O 2.98Å; I39-I57 PolarHBondContact O-N 3.09Å; I39-P118 HydrophobicContact CG2-CB 3.74Å; I39-P118 HydrophobicContact CG2-CG 4.31Å
40	Y	98.8	Very high	98.2	Very high	13 Å²	13	53 Å²	53	5%	0.051	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	139.1	175.7	-74.1	-104.8	0	0	0	110.5	N38 L55 R56 L119 F120 T122 A192	N38-Y40 HydrophobicContact CB-CD2 4.48Å; N38-Y40 HydrophobicContact CB-CE2 4.02Å; Y40-L55 VanDerWaalsContact CA-O 3.31Å; Y40-L55 WeakPolarHBondContact CA-O 3.42Å; Y40-R56 HydrophobicContact CD1-CB 3.85Å; Y40-R56 HydrophobicContact CD2-CB 4.07Å; Y40-R56 HydrophobicContact CE1-CB 3.82Å; Y40-R56 HydrophobicContact CE1-CG 4.34Å; Y40-R56 HydrophobicContact CE2-CB 4.05Å; Y40-R56 HydrophobicContact CG-CB 3.98Å; Y40-R56 PolarHBondContact OH-NH1 3.15Å; Y40-L119 PolarHBondContact O-N 2.95Å; Y40-F120 VanDerWaalsContact CB-CE2 3.45Å; Y40-F120 AromaticContact CD1-CE2 3.87Å; Y40-F120 HydrophobicContact CD1-CE2 3.87Å; Y40-F120 AromaticContact CD1-CZ 3.63Å; Y40-F120 HydrophobicContact CD1-CZ 3.63Å; Y40-F120 AromaticContact CD2-CD2 3.85Å; Y40-F120 HydrophobicContact CD2-CD2 3.85Å; Y40-F120 AromaticContact CD2-CE2 3.26Å; Y40-F120 HydrophobicContact CD2-CE2 3.26Å; Y40-F120 AromaticContact CD2-CZ 3.9Å; Y40-F120 HydrophobicContact CD2-CZ 3.9Å; Y40-F120 HydrophobicContact CE1-CE2 4.42Å; Y40-F120 HydrophobicContact CE1-CZ 4.38Å; Y40-F120 AromaticContact CE2-CE2 3.89Å; Y40-F120 HydrophobicContact CE2-CE2 3.89Å; Y40-F120 HydrophobicContact CG-CD2 4.02Å; Y40-F120 HydrophobicContact CG-CE1 4.19Å; Y40-F120 AromaticContact CG-CE2 3.24Å; Y40-F120 HydrophobicContact CG-CE2 3.24Å; Y40-F120 AromaticContact CG-CZ 3.33Å; Y40-F120 HydrophobicContact CG-CZ 3.33Å; Y40-F120 PolarHBondContact N-O 3.41Å; Y40-T122 HydrophobicContact CE2-CG2 4.01Å; Y40-A192 HydrophobicContact CD1-CB 4.19Å; Y40-A192 HydrophobicContact CE1-CB 3.74Å
41	Y	98.7	Very high	98.1	Very high	32 Å²	32	53 Å²	53	13%	0.125	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	142.5	-175.4	-66.5	-98.9	0	0	0	110.4	I39 L48 L55 I57 L93 Q117 P118	I39-Y41 HydrophobicContact CB-CE2 4.23Å; I39-Y41 HydrophobicContact CG2-CD2 4.36Å; I39-Y41 HydrophobicContact CG2-CE2 3.83Å; Y41-L48 VanDerWaalsContact O-CD1 3.31Å; Y41-L48 WeakPolarHBondContact O-CD1 3.4Å; Y41-L55 PolarHBondContact N-O 3.13Å; Y41-I57 HydrophobicContact CE2-CB 4.32Å; Y41-I57 HydrophobicContact CE2-CD1 4.08Å; Y41-I57 HydrophobicContact CE2-CG1 3.94Å; Y41-L93 HydrophobicContact CD1-CD1 3.59Å; Y41-L93 HydrophobicContact CD1-CG 4.43Å; Y41-L93 HydrophobicContact CD2-CD1 3.84Å; Y41-L93 HydrophobicContact CD2-CD2 4.09Å; Y41-L93 HydrophobicContact CD2-CG 4.17Å; Y41-L93 HydrophobicContact CE1-CD1 3.91Å; Y41-L93 HydrophobicContact CE1-CG 4.33Å; Y41-L93 HydrophobicContact CE2-CD1 4.16Å; Y41-L93 HydrophobicContact CE2-CD2 4.15Å; Y41-L93 HydrophobicContact CE2-CG 4.08Å; Y41-L93 HydrophobicContact CG-CD1 3.55Å; Y41-L93 HydrophobicContact CG-CG 4.35Å; Y41-Q117 WeakPolarHBondContact CA-O 3.47Å; Y41-P118 HydrophobicContact CD1-CG 4.38Å; Y41-P118 HydrophobicContact CE1-CG 3.94Å
42	E	98.6	Very high	98	Very high	3 Å²	3	53.8 Å²	53.8	1%	0.014	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	157.7	178.6	-174.6	57.6	-80.5	0	0	110.9	W47 L48 R49 V116 Q117 L119 Y196	E42-W47 PolarHBondContact OE1-N 2.92Å; E42-L48 WeakPolarHBondContact OE1-CB 3.41Å; E42-L48 PolarHBondContact OE1-N 3.26Å; E42-L48 WeakPolarHBondContact OE2-CB 3.29Å; E42-L48 PolarHBondContact OE2-N 3.09Å; E42-R49 WeakPolarHBondContact OE2-CB 3.24Å; E42-R49 PolarHBondContact OE2-N 2.97Å; E42-V116 WeakPolarHBondContact O-CA 3.46Å; E42-Q117 PolarHBondContact N-O 3.37Å; E42-Q117 PolarHBondContact O-N 3.03Å; E42-L119 HydrophobicContact CB-CB 3.97Å; E42-L119 HydrophobicContact CB-CD2 3.6Å; E42-L119 HydrophobicContact CB-CG 4.33Å; E42-L119 HydrophobicContact CG-CD2 3.89Å; E42-Y196 HydrophobicContact CB-CE1 4.07Å; E42-Y196 HydrophobicContact CG-CE1 3.77Å; E42-Y196 WeakPolarHBondContact OE2-CE1 3.43Å; E42-Y196 VanDerWaalsContact OE2-CZ 3.24Å; E42-Y196 PolarHBondContact OE2-OH 3.5Å
43	T	98.3	Very high	98	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.018	27%	0.265	C	S	.	.			trans	-85.2	158.1	171.8	63.3	0	0	0	0	112.3	D45 N46 W47 L112 R115 V116	T43-D45 WeakPolarHBondContact CB-OD1 3.35Å; T43-D45 PolarHBondContact O-N 3.27Å; T43-D45 VanDerWaalsContact O-N 3.08Å; T43-D45 PolarHBondContact OG1-OD1 3.34Å; T43-N46 PolarHBondContact O-N 3.48Å; T43-W47 HydrophobicContact CG2-CB 4.21Å; T43-W47 WeakPolarHBondContact OG1-CB 3.42Å; T43-W47 PolarHBondContact OG1-N 3.15Å; T43-L112 HydrophobicContact CG2-CD1 3.41Å; T43-L112 VanDerWaalsContact CG2-CD1 3.41Å; T43-R115 HydrophobicContact CG2-CB 4.28Å; T43-V116 HydrophobicContact CG2-CG1 4.03Å
44	P	97.5	Very high	97.9	Very high	114 Å²	114	46 Å²	46	74%	0.74	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.4	177.6	-27.6	35.8	0	0	0	115.3	R115	P44-R115 WeakPolarHBondContact CD-O 3.31Å
45	D	97.7	Very high	97.9	Very high	93 Å²	93	44.5 Å²	44.5	50%	0.497	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	10.2	177.3	64.5	-33.5	0	0	0	113.8	T43 W47	T43-D45 WeakPolarHBondContact CB-OD1 3.35Å; T43-D45 PolarHBondContact O-N 3.27Å; T43-D45 VanDerWaalsContact O-N 3.08Å; T43-D45 PolarHBondContact OG1-OD1 3.34Å; D45-W47 PolarHBondContact O-N 3.45Å
46	N	97.4	Very high	97.9	Very high	51 Å²	51	42.2 Å²	42.2	27%	0.273	23%	0.23	S	C	.	.			trans	57.9	41.4	179.9	-63.4	-23.1	0	0	0	113.7	T43 R49 G50 Q200	T43-N46 PolarHBondContact O-N 3.48Å; N46-R49 HydrophobicContact CB-CB 4.29Å; N46-R49 PolarHBondContact O-N 2.92Å; N46-G50 PolarHBondContact O-N 3.45Å; N46-Q200 PolarHBondContact ND2-NE2 3.33Å
47	W	98	Very high	97.9	Very high	46 Å²	46	42.3 Å²	42.3	17%	0.174	23%	0.23	C	C	.	.	H	α-helix	trans	-64.7	-43.9	-170.8	-172.9	87.1	0	0	0	113.1	E42 T43 D45 G50 H51 W103 P109 L112	E42-W47 PolarHBondContact OE1-N 2.92Å; T43-W47 HydrophobicContact CG2-CB 4.21Å; T43-W47 WeakPolarHBondContact OG1-CB 3.42Å; T43-W47 PolarHBondContact OG1-N 3.15Å; D45-W47 PolarHBondContact O-N 3.45Å; W47-G50 PolarHBondContact O-N 3.15Å; W47-H51 AromaticContact CE2-CE1 3.5Å; W47-H51 AromaticContact CE2-ND1 3.9Å; W47-H51 AromaticContact CZ2-CE1 3.76Å; W47-H51 AromaticContact NE1-CE1 3.57Å; W47-H51 PolarHBondContact O-ND1 3.37Å; W47-W103 HydrophobicContact CH2-CE3 4.36Å; W47-W103 HydrophobicContact CZ3-CE3 4.38Å; W47-W103 HydrophobicContact CZ3-CZ3 4.46Å; W47-P109 HydrophobicContact CH2-CG 3.65Å; W47-P109 HydrophobicContact CZ2-CG 3.61Å; W47-P109 HydrophobicContact CZ3-CG 4.27Å; W47-L112 HydrophobicContact CE3-CD1 4.26Å; W47-L112 HydrophobicContact CZ3-CD2 4.24Å
48	L	98	Very high	97.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.2	-44	178.9	-63.2	167.2	0	0	0	110.6	Y41 E42 G50 H51 D52 M53 L55 M68	Y41-L48 VanDerWaalsContact O-CD1 3.31Å; Y41-L48 WeakPolarHBondContact O-CD1 3.4Å; E42-L48 WeakPolarHBondContact OE1-CB 3.41Å; E42-L48 PolarHBondContact OE1-N 3.26Å; E42-L48 WeakPolarHBondContact OE2-CB 3.29Å; E42-L48 PolarHBondContact OE2-N 3.09Å; L48-G50 VanDerWaalsContact C-N 3.26Å; L48-G50 PolarHBondContact O-N 3.48Å; L48-H51 CarbonylContact O-C 3.48Å; L48-H51 PolarHBondContact O-N 3.39Å; L48-D52 PolarHBondContact O-N 3.01Å; L48-M53 HydrophobicContact CB-CB 4.28Å; L48-M53 HydrophobicContact CD2-CB 4.34Å; L48-M53 HydrophobicContact CD2-CE 3.82Å; L48-M53 PolarHBondContact O-N 3.18Å; L48-L55 HydrophobicContact CD1-CB 3.84Å; L48-L55 HydrophobicContact CD1-CD2 4.42Å; L48-M68 HydrophobicContact CD2-CE 4.11Å
49	R	97.4	Very high	97.9	Very high	100 Å²	100	40.6 Å²	40.6	38%	0.377	22%	0.22	S	C	.	.	H	α-helix	trans	-58.3	-38.6	175.9	179.2	56.5	-174.5	143.3	10.3	112.4	E42 N46 H51 D52 Y196	E42-R49 WeakPolarHBondContact OE2-CB 3.24Å; E42-R49 PolarHBondContact OE2-N 2.97Å; N46-R49 HydrophobicContact CB-CB 4.29Å; N46-R49 PolarHBondContact O-N 2.92Å; R49-H51 PolarHBondContact O-N 3.1Å; R49-D52 IonicContact CZ-OD1 3.55Å; R49-D52 IonicContact NH1-OD1 3.33Å; R49-D52 PolarHBondContact NH1-OD1 2.96Å; R49-D52 IonicContact NH2-OD1 3.57Å; R49-D52 PolarHBondContact O-N 3.06Å; R49-Y196 HydrophobicContact CB-CD1 4Å; R49-Y196 HydrophobicContact CB-CD2 4.47Å; R49-Y196 HydrophobicContact CB-CE1 3.74Å; R49-Y196 HydrophobicContact CB-CE2 4.22Å; R49-Y196 HydrophobicContact CB-CG 4.36Å; R49-Y196 HydrophobicContact CG-CD1 4.18Å; R49-Y196 HydrophobicContact CG-CD2 4.36Å; R49-Y196 HydrophobicContact CG-CE1 4.41Å; R49-Y196 HydrophobicContact CG-CG 4.15Å
50	G	96.9	Very high	97.9	Very high	63 Å²	63	39.4 Å²	39.4	65%	0.649	21%	0.213	S	C	*	.	H	α-helix	trans	-60.9	-20.9	176.5	0	0	0	0	0	114.1	N46 W47 L48	N46-G50 PolarHBondContact O-N 3.45Å; W47-G50 PolarHBondContact O-N 3.15Å; L48-G50 VanDerWaalsContact C-N 3.26Å; L48-G50 PolarHBondContact O-N 3.48Å
51	H	96.9	Very high	97.7	Very high	69 Å²	69	45.4 Å²	45.4	32%	0.319	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	12.1	175.8	-61.8	91.8	0	0	0	112.9	W47 L48 R49 M53 P104	W47-H51 AromaticContact CE2-CE1 3.5Å; W47-H51 AromaticContact CE2-ND1 3.9Å; W47-H51 AromaticContact CZ2-CE1 3.76Å; W47-H51 AromaticContact NE1-CE1 3.57Å; W47-H51 PolarHBondContact O-ND1 3.37Å; L48-H51 CarbonylContact O-C 3.48Å; L48-H51 PolarHBondContact O-N 3.39Å; R49-H51 PolarHBondContact O-N 3.1Å; H51-M53 HydrophobicContact CB-CG 3.83Å; H51-M53 HydrophobicContact CB-SD 3.7Å; H51-M53 PolarHBondContact O-N 3.46Å; H51-P104 WeakPolarHBondContact CD2-CG 3.1Å
52	D	96.7	Very high	97.4	Very high	95 Å²	95	46.4 Å²	46.4	51%	0.508	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	35.3	-171.7	-74.8	-51.8	0	0	0	113.2	L48 R49 V70 A71	L48-D52 PolarHBondContact O-N 3.01Å; R49-D52 IonicContact CZ-OD1 3.55Å; R49-D52 IonicContact NH1-OD1 3.33Å; R49-D52 PolarHBondContact NH1-OD1 2.96Å; R49-D52 IonicContact NH2-OD1 3.57Å; R49-D52 PolarHBondContact O-N 3.06Å; D52-V70 CarbonylContact O-C 3.53Å; D52-A71 HydrophobicContact CB-CB 4.15Å; D52-A71 PolarHBondContact O-N 3.37Å
53	M	96.8	Very high	97.4	Very high	9 Å²	9	54.3 Å²	54.3	4%	0.044	30%	0.296	C	S	.	.			trans	-100.1	155	176	-62.7	171.7	50.8	0	0	111.1	L48 H51 M68 K69 V70 V102 W103 Y196	L48-M53 HydrophobicContact CB-CB 4.28Å; L48-M53 HydrophobicContact CD2-CB 4.34Å; L48-M53 HydrophobicContact CD2-CE 3.82Å; L48-M53 PolarHBondContact O-N 3.18Å; H51-M53 HydrophobicContact CB-CG 3.83Å; H51-M53 HydrophobicContact CB-SD 3.7Å; H51-M53 PolarHBondContact O-N 3.46Å; M53-M68 HydrophobicContact CB-SD 4.3Å; M53-M68 HydrophobicContact CE-CE 3.79Å; M53-M68 HydrophobicContact CE-CG 4.37Å; M53-M68 HydrophobicContact CE-SD 3.67Å; M53-K69 CarbonylContact C-O 3.59Å; M53-K69 VanDerWaalsContact CA-O 3.23Å; M53-K69 WeakPolarHBondContact CA-O 3.26Å; M53-V70 HydrophobicContact CE-CG1 4.19Å; M53-V70 HydrophobicContact CG-CB 4.07Å; M53-V70 HydrophobicContact CG-CG1 4.01Å; M53-V70 HydrophobicContact SD-CG1 4.4Å; M53-V102 HydrophobicContact CE-CG1 3.86Å; M53-W103 HydrophobicContact CE-CE3 4.15Å; M53-W103 HydrophobicContact CE-CZ3 4.03Å; M53-Y196 PolarHBondContact O-OH 3.32Å
54	G	97.5	Very high	97.4	Very high	9 Å²	9	57.8 Å²	57.8	9%	0.093	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	122.9	174.6	0	0	0	0	0	111.5	K69	G54-K69 PolarHBondContact N-O 3.17Å; G54-K69 PolarHBondContact O-N 3.31Å
55	L	98.5	Very high	97.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.2	177.6	176.8	61.2	0	0	0	110	Y40 Y41 L48 M66 M68 L93 L95	Y40-L55 VanDerWaalsContact CA-O 3.31Å; Y40-L55 WeakPolarHBondContact CA-O 3.42Å; Y41-L55 PolarHBondContact N-O 3.13Å; L48-L55 HydrophobicContact CD1-CB 3.84Å; L48-L55 HydrophobicContact CD1-CD2 4.42Å; L55-M66 HydrophobicContact CD1-CG 3.8Å; L55-M66 HydrophobicContact CD1-SD 4.09Å; L55-M68 HydrophobicContact CB-CE 3.83Å; L55-M68 HydrophobicContact CB-SD 4.08Å; L55-M68 HydrophobicContact CD1-CE 3.96Å; L55-M68 HydrophobicContact CD2-CE 4.33Å; L55-M68 HydrophobicContact CG-CE 4.25Å; L55-L93 HydrophobicContact CD1-CD2 3.95Å; L55-L93 HydrophobicContact CD2-CD1 3.85Å; L55-L93 HydrophobicContact CD2-CD2 3.96Å; L55-L93 HydrophobicContact CG-CD2 3.98Å; L55-L95 HydrophobicContact CD1-CD2 4.43Å; L55-L95 HydrophobicContact CD2-CD2 3.65Å
56	R	98.6	Very high	97.5	Very high	18 Å²	18	50.8 Å²	50.8	7%	0.068	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	157.4	175.2	68.6	177.9	-178.1	-152	-3	112.6	I39 Y40 R58 M66 T67	I39-R56 CarbonylContact O-C 3.51Å; I39-R56 WeakPolarHBondContact O-CA 3.33Å; I39-R56 WeakPolarHBondContact O-CB 3.13Å; Y40-R56 HydrophobicContact CD1-CB 3.85Å; Y40-R56 HydrophobicContact CD2-CB 4.07Å; Y40-R56 HydrophobicContact CE1-CB 3.82Å; Y40-R56 HydrophobicContact CE1-CG 4.34Å; Y40-R56 HydrophobicContact CE2-CB 4.05Å; Y40-R56 HydrophobicContact CG-CB 3.98Å; Y40-R56 PolarHBondContact OH-NH1 3.15Å; R56-R58 VanDerWaalsContact NH2-CZ 3.26Å; R56-R58 VanDerWaalsContact NH2-NH2 3.16Å; R56-M66 WeakPolarHBondContact O-CA 3.45Å; R56-T67 PolarHBondContact N-O 2.91Å; R56-T67 PolarHBondContact NE-OG1 3.37Å; R56-T67 PolarHBondContact NH2-OG1 3.03Å; R56-T67 PolarHBondContact O-N 2.92Å
57	I	98.7	Very high	97.5	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.036	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.8	153	-63.9	179.8	0	0	0	107.5	N38 I39 Y41 Y64 E65 L88 P91 L93	N38-I57 VanDerWaalsContact CA-O 3.29Å; N38-I57 WeakPolarHBondContact CA-O 3.26Å; I39-I57 PolarHBondContact N-O 2.98Å; I39-I57 PolarHBondContact O-N 3.09Å; Y41-I57 HydrophobicContact CE2-CB 4.32Å; Y41-I57 HydrophobicContact CE2-CD1 4.08Å; Y41-I57 HydrophobicContact CE2-CG1 3.94Å; I57-Y64 HydrophobicContact CG2-CD1 4.2Å; I57-E65 CarbonylContact C-O 3.57Å; I57-E65 WeakPolarHBondContact CA-O 3.38Å; I57-L88 HydrophobicContact CD1-CD1 3.9Å; I57-L88 HydrophobicContact CG1-CD1 4.01Å; I57-L88 HydrophobicContact CG2-CD1 4.33Å; I57-P91 VanDerWaalsContact CD1-C 3.49Å; I57-P91 HydrophobicContact CG2-CB 4.19Å; I57-L93 HydrophobicContact CD1-CD2 3.9Å; I57-L93 HydrophobicContact CD1-CG 4.04Å; I57-L93 HydrophobicContact CG1-CD2 3.72Å; I57-L93 HydrophobicContact CG1-CG 4.38Å
58	R	98.6	Very high	97.5	Very high	43 Å²	43	46.2 Å²	46.2	16%	0.162	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	134.1	170.6	175	-178.9	-75.1	175.8	-16.6	109	L37 N38 R56 Y64 E65	L37-R58 CarbonylContact O-C 3.54Å; L37-R58 WeakPolarHBondContact O-CA 3.49Å; N38-R58 WeakPolarHBondContact OD1-CB 3.41Å; N38-R58 WeakPolarHBondContact OD1-CG 3.37Å; N38-R58 PolarHBondContact OD1-NE 3.2Å; R56-R58 VanDerWaalsContact NH2-CZ 3.26Å; R56-R58 VanDerWaalsContact NH2-NH2 3.16Å; R58-Y64 CarbonylContact O-C 3.59Å; R58-Y64 VanDerWaalsContact O-CA 3.27Å; R58-Y64 WeakPolarHBondContact O-CA 3.46Å; R58-E65 PolarHBondContact N-O 3.09Å; R58-E65 IonicContact NH1-OE2 3.73Å; R58-E65 PolarHBondContact O-N 3.41Å
59	G	98.3	Very high	97.5	Very high	9 Å²	9	47.7 Å²	47.7	9%	0.093	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.5	171	0	0	0	0	0	110.7	L37 R63	L37-G59 PolarHBondContact N-O 2.83Å; L37-G59 PolarHBondContact O-N 3.47Å; G59-R63 CarbonylContact C-O 3.56Å; G59-R63 WeakPolarHBondContact CA-O 3.48Å
60	E	97.5	Very high	97.4	Very high	51 Å²	51	43.6 Å²	43.6	24%	0.238	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	105.7	173.9	-175.8	-166.2	128.3	0	0	108.6	L36 G62 R63	L36-E60 HydrophobicContact CD2-CB 3.87Å; L36-E60 HydrophobicContact CD2-CG 3.8Å; E60-G62 PolarHBondContact O-N 2.86Å; E60-G62 VanDerWaalsContact O-N 3.15Å; E60-R63 PolarHBondContact N-O 2.77Å; E60-R63 WeakPolarHBondContact O-CB 3.34Å; E60-R63 PolarHBondContact O-N 3.08Å; E60-R63 IonicContact OE1-CZ 2.96Å; E60-R63 IonicContact OE1-NH2 3.67Å; E60-R63 PolarHBondContact OE1-NH2 3.21Å
61	N	94.5	Very high	97.3	Very high	138 Å²	138	43.3 Å²	43.3	74%	0.738	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	42.8	179.7	-67.5	-32.8	0	0	0	114.2	R63	N61-R63 VanDerWaalsContact C-N 3.33Å; N61-R63 PolarHBondContact O-N 3.07Å
62	G	94	Very high	97.2	Very high	53 Å²	53	42.4 Å²	42.4	55%	0.546	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	1.7	179.4	0	0	0	0	0	115.3	E60 Y64	E60-G62 PolarHBondContact O-N 2.86Å; E60-G62 VanDerWaalsContact O-N 3.15Å; G62-Y64 WeakPolarHBondContact O-CE2 3.4Å
63	R	97.5	Very high	97.1	Very high	169 Å²	169	42 Å²	42	64%	0.638	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	138.1	166.8	-58.4	-172.9	-67.8	-162.1	1.5	109.4	G59 E60 N61	G59-R63 CarbonylContact C-O 3.56Å; G59-R63 WeakPolarHBondContact CA-O 3.48Å; E60-R63 PolarHBondContact N-O 2.77Å; E60-R63 WeakPolarHBondContact O-CB 3.34Å; E60-R63 PolarHBondContact O-N 3.08Å; E60-R63 IonicContact OE1-CZ 2.96Å; E60-R63 IonicContact OE1-NH2 3.67Å; E60-R63 PolarHBondContact OE1-NH2 3.21Å; N61-R63 VanDerWaalsContact C-N 3.33Å; N61-R63 PolarHBondContact O-N 3.07Å
64	Y	98.4	Very high	97	Very high	76 Å²	76	44.4 Å²	44.4	30%	0.298	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	142.6	-175.7	-58.9	-75.1	0	0	0	112	I57 R58 G62 L88 P91	I57-Y64 HydrophobicContact CG2-CD1 4.2Å; R58-Y64 CarbonylContact O-C 3.59Å; R58-Y64 VanDerWaalsContact O-CA 3.27Å; R58-Y64 WeakPolarHBondContact O-CA 3.46Å; G62-Y64 WeakPolarHBondContact O-CE2 3.4Å; Y64-L88 PolarHBondContact O-N 3.3Å; Y64-P91 HydrophobicContact CD1-CB 3.78Å; Y64-P91 HydrophobicContact CD1-CG 4.47Å; Y64-P91 HydrophobicContact CE1-CB 3.72Å; Y64-P91 HydrophobicContact CE1-CG 4.02Å; Y64-P91 HydrophobicContact CE2-CG 4.37Å; Y64-P91 HydrophobicContact CG-CB 4.25Å
65	E	98.6	Very high	96.9	Very high	60 Å²	60	44.1 Å²	44.1	28%	0.28	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	129.1	177	177	-178.4	-110.9	0	0	109.2	I57 R58 N85 V86	I57-E65 CarbonylContact C-O 3.57Å; I57-E65 WeakPolarHBondContact CA-O 3.38Å; R58-E65 PolarHBondContact N-O 3.09Å; R58-E65 IonicContact NH1-OE2 3.73Å; R58-E65 PolarHBondContact O-N 3.41Å; E65-N85 HydrophobicContact CG-CB 4.26Å; E65-V86 CarbonylContact C-O 3.55Å; E65-V86 WeakPolarHBondContact CA-O 3.47Å
66	M	98.5	Very high	96.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	124.7	166.5	-175.2	178.6	63.3	0	0	109	L55 R56 N85 V86 L88 L93 D94 L95 L98	L55-M66 HydrophobicContact CD1-CG 3.8Å; L55-M66 HydrophobicContact CD1-SD 4.09Å; R56-M66 WeakPolarHBondContact O-CA 3.45Å; M66-N85 CarbonylContact O-C 3.6Å; M66-N85 WeakPolarHBondContact O-CA 3.31Å; M66-V86 HydrophobicContact CB-CB 4.38Å; M66-V86 HydrophobicContact CE-CB 4Å; M66-V86 HydrophobicContact CE-CG1 4.44Å; M66-V86 HydrophobicContact CE-CG2 3.99Å; M66-V86 PolarHBondContact N-O 3.26Å; M66-V86 PolarHBondContact O-N 2.95Å; M66-L88 HydrophobicContact CB-CD1 3.8Å; M66-L88 HydrophobicContact CB-CD2 4.3Å; M66-L88 HydrophobicContact CB-CG 4.04Å; M66-L93 HydrophobicContact CG-CD2 3.94Å; M66-L93 HydrophobicContact SD-CD2 3.68Å; M66-D94 VanDerWaalsContact CE-O 3.26Å; M66-D94 WeakPolarHBondContact CE-O 3.35Å; M66-L95 HydrophobicContact SD-CD2 4.24Å; M66-L98 HydrophobicContact CE-CD1 4.26Å; M66-L98 HydrophobicContact CE-CD2 3.9Å; M66-L98 HydrophobicContact CE-CG 3.8Å
67	T	98.4	Very high	96.4	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.3	174.2	-51.6	0	0	0	0	109.4	R56 K69 Y84 N85	R56-T67 PolarHBondContact N-O 2.91Å; R56-T67 PolarHBondContact NE-OG1 3.37Å; R56-T67 PolarHBondContact NH2-OG1 3.03Å; R56-T67 PolarHBondContact O-N 2.92Å; T67-K69 HydrophobicContact CG2-CG 3.93Å; T67-Y84 WeakPolarHBondContact CA-O 3.11Å; T67-N85 WeakPolarHBondContact CB-OD1 3.41Å; T67-N85 WeakPolarHBondContact CG2-OD1 3.37Å; T67-N85 PolarHBondContact OG1-OD1 3.09Å
68	M	97.9	Very high	96.4	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.2	162.7	-178.8	65.7	82.7	0	0	109.4	L48 M53 L55 V70 E83 Y84 L98 V102 W103	L48-M68 HydrophobicContact CD2-CE 4.11Å; M53-M68 HydrophobicContact CB-SD 4.3Å; M53-M68 HydrophobicContact CE-CE 3.79Å; M53-M68 HydrophobicContact CE-CG 4.37Å; M53-M68 HydrophobicContact CE-SD 3.67Å; L55-M68 HydrophobicContact CB-CE 3.83Å; L55-M68 HydrophobicContact CB-SD 4.08Å; L55-M68 HydrophobicContact CD1-CE 3.96Å; L55-M68 HydrophobicContact CD2-CE 4.33Å; L55-M68 HydrophobicContact CG-CE 4.25Å; M68-V70 HydrophobicContact CG-CG1 4.1Å; M68-E83 CarbonylContact O-C 3.57Å; M68-E83 VanDerWaalsContact O-CA 3.27Å; M68-E83 WeakPolarHBondContact O-CA 3.46Å; M68-Y84 PolarHBondContact N-O 2.99Å; M68-Y84 PolarHBondContact O-N 3.4Å; M68-L98 HydrophobicContact CB-CD1 4.01Å; M68-L98 HydrophobicContact CB-CD2 3.96Å; M68-L98 HydrophobicContact CE-CD1 3.94Å; M68-L98 HydrophobicContact CG-CD1 4.44Å; M68-V102 HydrophobicContact CE-CG1 4.19Å; M68-V102 HydrophobicContact CG-CG1 3.61Å; M68-V102 HydrophobicContact SD-CG1 4.48Å; M68-W103 HydrophobicContact CE-CH2 3.82Å; M68-W103 HydrophobicContact CE-CZ3 3.85Å
69	K	97.3	Very high	96.3	Very high	31 Å²	31	41.1 Å²	41.1	14%	0.135	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	137.1	167.8	-57.5	-167.5	176.1	-165.2	0	108.7	E4 M53 G54 T67 E83	E4-K69 IonicContact OE1-NZ 2.72Å; E4-K69 PolarHBondContact OE1-NZ 3.16Å; E4-K69 WeakPolarHBondContact OE2-CE 3.15Å; E4-K69 IonicContact OE2-NZ 3.74Å; E4-K69 PolarHBondContact OE2-NZ 3.17Å; M53-K69 CarbonylContact C-O 3.59Å; M53-K69 VanDerWaalsContact CA-O 3.23Å; M53-K69 WeakPolarHBondContact CA-O 3.26Å; G54-K69 PolarHBondContact N-O 3.17Å; G54-K69 PolarHBondContact O-N 3.31Å; T67-K69 HydrophobicContact CG2-CG 3.93Å; K69-E83 WeakPolarHBondContact CE-OE2 3.3Å; K69-E83 HydrophobicContact CG-CB 4.06Å; K69-E83 IonicContact NZ-OE2 3.47Å
70	V	95.9	Very high	96.3	Very high	14 Å²	14	43.1 Å²	43.1	9%	0.085	24%	0.235	C	C	.	.			trans	-114.4	175.4	-179.8	-55.6	0	0	0	0	111.9	M1 D52 M53 M68 G72 P82 V102	M1-V70 HydrophobicContact CE-CG2 3.98Å; M1-V70 HydrophobicContact SD-CG1 4.41Å; M1-V70 HydrophobicContact SD-CG2 4.09Å; D52-V70 CarbonylContact O-C 3.53Å; M53-V70 HydrophobicContact CE-CG1 4.19Å; M53-V70 HydrophobicContact CG-CB 4.07Å; M53-V70 HydrophobicContact CG-CG1 4.01Å; M53-V70 HydrophobicContact SD-CG1 4.4Å; M68-V70 HydrophobicContact CG-CG1 4.1Å; V70-G72 PolarHBondContact O-N 3.09Å; V70-P82 HydrophobicContact CG2-CB 3.59Å; V70-P82 HydrophobicContact CG2-CG 3.58Å; V70-P82 PolarHBondContact N-O 3.11Å; V70-V102 HydrophobicContact CG1-CG1 4.22Å
71	A	94.5	Very high	96.1	Very high	57 Å²	57	42.8 Å²	42.8	47%	0.471	23%	0.231	S	C	.	.	S	Bend	trans	-49.7	132.1	177.5	0	0	0	0	0	111.2	D52 P82	D52-A71 HydrophobicContact CB-CB 4.15Å; D52-A71 PolarHBondContact O-N 3.37Å; A71-P82 WeakPolarHBondContact O-CD 3.41Å
72	G	94.2	Very high	96.2	Very high	49 Å²	49	37 Å²	37	51%	0.505	20%	0.202	S	C	.	.			trans	-147.7	-157.7	-179	0	0	0	0	0	110.1	V70 Q80	V70-G72 PolarHBondContact O-N 3.09Å; G72-Q80 CarbonylContact C-O 3.58Å; G72-Q80 VanDerWaalsContact CA-O 3.29Å; G72-Q80 WeakPolarHBondContact CA-O 3.41Å
73	R	94.6	Very high	96.4	Very high	88 Å²	88	35.5 Å²	35.5	33%	0.332	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139.7	-179.3	-173.8	173.1	163	150.7	-2.2	110.1	T75 Q80 E230	R73-T75 PolarHBondContact NE-OG1 2.85Å; R73-T75 VanDerWaalsContact NE-OG1 3.1Å; R73-Q80 PolarHBondContact N-O 3.08Å; R73-Q80 PolarHBondContact O-N 3.13Å; R73-E230 IonicContact CZ-OE1 2.69Å; R73-E230 IonicContact NE-OE1 3.64Å; R73-E230 IonicContact NH1-OE1 3.09Å; R73-E230 PolarHBondContact NH1-OE1 3.03Å; R73-E230 VanDerWaalsContact NH1-OE1 3.1Å; R73-E230 VanDerWaalsContact NH2-CD 3.25Å; R73-E230 IonicContact NH2-OE1 2.66Å; R73-E230 PolarHBondContact NH2-OE1 3.41Å
74	V	94.8	Very high	96.4	Very high	59 Å²	59	31.6 Å²	31.6	36%	0.358	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.8	169.8	-176.8	0	0	0	0	107.7	L78	V74-L78 CarbonylContact C-O 3.56Å; V74-L78 WeakPolarHBondContact CA-O 3.4Å
75	T	94.9	Very high	96.3	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.018	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	101.6	179.2	-59	0	0	0	0	108.8	R73 G77 L78 L233 L317 V318	R73-T75 PolarHBondContact NE-OG1 2.85Å; R73-T75 VanDerWaalsContact NE-OG1 3.1Å; T75-G77 PolarHBondContact O-N 2.8Å; T75-L78 PolarHBondContact N-O 3.15Å; T75-L78 WeakPolarHBondContact O-CB 3.3Å; T75-L78 PolarHBondContact O-N 2.93Å; T75-L233 HydrophobicContact CG2-CD2 3.85Å; T75-L317 HydrophobicContact CG2-CD2 3.53Å; T75-L317 HydrophobicContact CG2-CG 4.13Å; T75-V318 HydrophobicContact CG2-CG2 3.95Å
76	G	93.8	Very high	96.3	Very high	4 Å²	4	28.4 Å²	28.4	4%	0.041	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	-123.4	-169.8	0	0	0	0	0	110.2	S188 Q237	G76-S188 PolarHBondContact O-OG 3.05Å; G76-Q237 PolarHBondContact O-NE2 3.07Å
77	G	94.6	Very high	96.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-3.3	170.1	0	0	0	0	0	114	L7 K8 T75 H79	L7-G77 WeakPolarHBondContact CA-O 3.49Å; K8-G77 PolarHBondContact N-O 3.29Å; T75-G77 PolarHBondContact O-N 2.8Å; G77-H79 PolarHBondContact O-CD2 3.3Å; G77-H79 PolarHBondContact O-N 2.78Å
78	L	97.5	Very high	96.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	111	-176.9	-170.2	74.6	0	0	0	109.7	I5 E6 L7 V74 T75 Q80 T168 V318	I5-L78 HydrophobicContact CG2-CD1 4.05Å; E6-L78 CarbonylContact O-C 3.57Å; E6-L78 WeakPolarHBondContact O-CA 3.41Å; L7-L78 HydrophobicContact CB-CD1 4.11Å; L7-L78 HydrophobicContact CD1-CB 4.32Å; V74-L78 CarbonylContact C-O 3.56Å; V74-L78 WeakPolarHBondContact CA-O 3.4Å; T75-L78 PolarHBondContact N-O 3.15Å; T75-L78 WeakPolarHBondContact O-CB 3.3Å; T75-L78 PolarHBondContact O-N 2.93Å; L78-Q80 HydrophobicContact CD2-CG 4.36Å; L78-Q80 HydrophobicContact CG-CG 4.29Å; L78-T168 HydrophobicContact CD1-CG2 4.17Å; L78-T168 HydrophobicContact CD2-CG2 3.85Å; L78-V318 HydrophobicContact CD2-CG1 3.94Å; L78-V318 HydrophobicContact CD2-CG2 3.82Å
79	H	97.4	Very high	96.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129.8	172.2	-61.6	-97.8	0	0	0	109.5	I5 E6 K8 G77 G187 S188	I5-H79 WeakPolarHBondContact CA-O 3.37Å; E6-H79 HydrophobicContact CG-CB 3.79Å; E6-H79 PolarHBondContact N-O 3.2Å; E6-H79 PolarHBondContact O-N 3.24Å; E6-H79 IonicContact OE1-CD2 3.14Å; E6-H79 IonicContact OE1-CG 3.03Å; K8-H79 WeakPolarHBondContact CE-NE2 3.44Å; G77-H79 PolarHBondContact O-CD2 3.3Å; G77-H79 PolarHBondContact O-N 2.78Å; H79-G187 PolarHBondContact NE2-O 2.99Å; H79-S188 PolarHBondContact CE1-O 3.17Å
80	Q	96.8	Very high	96.2	Very high	51 Å²	51	42 Å²	42	24%	0.238	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	104.6	173.6	-59.6	-176.2	-96.1	0	0	108.1	E4 I5 G72 R73 L78	E4-Q80 CarbonylContact O-C 3.51Å; E4-Q80 VanDerWaalsContact O-CA 3.28Å; E4-Q80 WeakPolarHBondContact O-CA 3.31Å; I5-Q80 HydrophobicContact CG1-CG 4.19Å; I5-Q80 HydrophobicContact CG2-CG 4.26Å; G72-Q80 CarbonylContact C-O 3.58Å; G72-Q80 VanDerWaalsContact CA-O 3.29Å; G72-Q80 WeakPolarHBondContact CA-O 3.41Å; R73-Q80 PolarHBondContact N-O 3.08Å; R73-Q80 PolarHBondContact O-N 3.13Å; L78-Q80 HydrophobicContact CD2-CG 4.36Å; L78-Q80 HydrophobicContact CG-CG 4.29Å
81	R	95.2	Very high	96.3	Very high	44 Å²	44	44.5 Å²	44.5	17%	0.166	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	132.7	-171.2	-68.3	178.8	-179.7	179.3	-3.7	110.6	E4 E83 S190	E4-R81 PolarHBondContact N-O 3.05Å; E4-R81 PolarHBondContact O-N 2.95Å; R81-E83 PolarHBondContact O-N 3.09Å; R81-S190 VanDerWaalsContact NH1-CB 3.26Å; R81-S190 PolarHBondContact NH1-OG 3.32Å; R81-S190 PolarHBondContact NH2-OG 3.37Å
82	P	96.3	Very high	96.4	Very high	18 Å²	18	45.9 Å²	45.9	12%	0.117	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	136.7	164.6	-5.5	19.1	0	0	0	109.3	M1 A2 V70 A71	M1-P82 HydrophobicContact CB-CB 4.03Å; M1-P82 HydrophobicContact CE-CB 3.99Å; M1-P82 HydrophobicContact SD-CB 4.2Å; A2-P82 CarbonylContact O-C 3.6Å; A2-P82 VanDerWaalsContact O-CA 3.22Å; A2-P82 WeakPolarHBondContact O-CA 3.27Å; V70-P82 HydrophobicContact CG2-CB 3.59Å; V70-P82 HydrophobicContact CG2-CG 3.58Å; V70-P82 PolarHBondContact N-O 3.11Å; A71-P82 WeakPolarHBondContact O-CD 3.41Å
83	E	96.9	Very high	96.6	Very high	20 Å²	20	45.2 Å²	45.2	9%	0.093	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	161.4	177.5	66.6	162.3	-142.5	0	0	112.9	A2 E4 M68 K69 R81 N85	A2-E83 HydrophobicContact CB-CG 4.48Å; A2-E83 PolarHBondContact N-O 3.2Å; A2-E83 PolarHBondContact O-N 2.88Å; E4-E83 HydrophobicContact CB-CG 4.07Å; M68-E83 CarbonylContact O-C 3.57Å; M68-E83 VanDerWaalsContact O-CA 3.27Å; M68-E83 WeakPolarHBondContact O-CA 3.46Å; K69-E83 WeakPolarHBondContact CE-OE2 3.3Å; K69-E83 HydrophobicContact CG-CB 4.06Å; K69-E83 IonicContact NZ-OE2 3.47Å; R81-E83 PolarHBondContact O-N 3.09Å; E83-N85 PolarHBondContact OE1-ND2 3.37Å
84	Y	97.6	Very high	96.8	Very high	87 Å²	87	44.1 Å²	44.1	34%	0.341	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	125.8	174.6	-158.5	-89.2	0	0	0	110	T67 M68 V86 L98 P99	T67-Y84 WeakPolarHBondContact CA-O 3.11Å; M68-Y84 PolarHBondContact N-O 2.99Å; M68-Y84 PolarHBondContact O-N 3.4Å; Y84-V86 HydrophobicContact CD1-CG2 3.75Å; Y84-V86 HydrophobicContact CE1-CG2 3.64Å; Y84-L98 HydrophobicContact CD1-CD2 3.82Å; Y84-L98 HydrophobicContact CG-CD2 4.46Å; Y84-P99 HydrophobicContact CD2-CG 3.76Å; Y84-P99 HydrophobicContact CE2-CG 3.83Å; Y84-P99 HydrophobicContact CG-CG 4.16Å
85	N	97.7	Very high	96.9	Very high	59 Å²	59	41.7 Å²	41.7	32%	0.316	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	136.4	-178.2	-62.2	-61.6	0	0	0	109.9	E65 M66 T67 E83	E65-N85 HydrophobicContact CG-CB 4.26Å; M66-N85 CarbonylContact O-C 3.6Å; M66-N85 WeakPolarHBondContact O-CA 3.31Å; T67-N85 WeakPolarHBondContact CB-OD1 3.41Å; T67-N85 WeakPolarHBondContact CG2-OD1 3.37Å; T67-N85 PolarHBondContact OG1-OD1 3.09Å; E83-N85 PolarHBondContact OE1-ND2 3.37Å
86	V	98.1	Very high	96.9	Very high	10 Å²	10	45.7 Å²	45.7	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	121.9	178.8	179.7	0	0	0	0	108.6	E65 M66 Y84 L88 Q97 L98	E65-V86 CarbonylContact C-O 3.55Å; E65-V86 WeakPolarHBondContact CA-O 3.47Å; M66-V86 HydrophobicContact CB-CB 4.38Å; M66-V86 HydrophobicContact CE-CB 4Å; M66-V86 HydrophobicContact CE-CG1 4.44Å; M66-V86 HydrophobicContact CE-CG2 3.99Å; M66-V86 PolarHBondContact N-O 3.26Å; M66-V86 PolarHBondContact O-N 2.95Å; Y84-V86 HydrophobicContact CD1-CG2 3.75Å; Y84-V86 HydrophobicContact CE1-CG2 3.64Å; V86-L88 HydrophobicContact CG1-CD2 4.39Å; V86-Q97 HydrophobicContact CG1-CB 3.92Å; V86-Q97 HydrophobicContact CG1-CG 4.36Å; V86-Q97 VanDerWaalsContact CG1-OE1 3.28Å; V86-Q97 HydrophobicContact CG2-CB 4.12Å; V86-L98 HydrophobicContact CG2-CD2 4.3Å
87	A	98.1	Very high	97.1	Very high	86 Å²	86	49.9 Å²	49.9	71%	0.711	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	134.2	172.5	0	0	0	0	0	110.2
88	L	98.3	Very high	97.2	Very high	24 Å²	24	50.4 Å²	50.4	13%	0.126	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	145.6	178.2	-61.5	178.8	0	0	0	110.6	I57 Y64 M66 V86 E90 T92 D94	I57-L88 HydrophobicContact CD1-CD1 3.9Å; I57-L88 HydrophobicContact CG1-CD1 4.01Å; I57-L88 HydrophobicContact CG2-CD1 4.33Å; Y64-L88 PolarHBondContact O-N 3.3Å; M66-L88 HydrophobicContact CB-CD1 3.8Å; M66-L88 HydrophobicContact CB-CD2 4.3Å; M66-L88 HydrophobicContact CB-CG 4.04Å; V86-L88 HydrophobicContact CG1-CD2 4.39Å; L88-E90 WeakPolarHBondContact CB-O 3.33Å; L88-T92 WeakPolarHBondContact CD1-O 3.46Å; L88-D94 HydrophobicContact CD2-CB 4.39Å
89	S	96.8	Very high	97.1	Very high	108 Å²	108	52.1 Å²	52.1	76%	0.755	30%	0.303	S	S	*	.	S	Bend	trans	-79.6	-25	173.2	42.8	0	0	0	0	113.1
90	E	96.9	Very high	97.1	Very high	102 Å²	102	56.5 Å²	56.5	48%	0.477	33%	0.33	S	S	.	.	S	Bend	trans	-148.3	163.7	178.7	66	-91.7	-168.5	0	0	110.1	L88 T92	L88-E90 WeakPolarHBondContact CB-O 3.33Å; E90-T92 PolarHBondContact O-N 2.98Å
91	P	97.3	Very high	97	Very high	65 Å²	65	60.4 Å²	60.4	42%	0.422	35%	0.348	S	S	.	.	S	Bend	trans	-79.5	57.6	-174.7	33.1	-35	0	0	0	112.9	I57 Y64	I57-P91 VanDerWaalsContact CD1-C 3.49Å; I57-P91 HydrophobicContact CG2-CB 4.19Å; Y64-P91 HydrophobicContact CD1-CB 3.78Å; Y64-P91 HydrophobicContact CD1-CG 4.47Å; Y64-P91 HydrophobicContact CE1-CB 3.72Å; Y64-P91 HydrophobicContact CE1-CG 4.02Å; Y64-P91 HydrophobicContact CE2-CG 4.37Å; Y64-P91 HydrophobicContact CG-CB 4.25Å
92	T	97.8	Very high	97	Very high	87 Å²	87	58.5 Å²	58.5	53%	0.534	34%	0.342	S	S	.	.			trans	-122	131.8	176.9	-54.3	0	0	0	0	109.4	L88 E90 D94	L88-T92 WeakPolarHBondContact CD1-O 3.46Å; E90-T92 PolarHBondContact O-N 2.98Å; T92-D94 PolarHBondContact O-N 3.04Å
93	L	98	Very high	97	Very high	35 Å²	35	58.2 Å²	58.2	18%	0.183	34%	0.338	C	S	.	.			trans	-65.8	131.7	178	-72	174.5	0	0	0	110.8	Y41 L55 I57 M66 L95 V116	Y41-L93 HydrophobicContact CD1-CD1 3.59Å; Y41-L93 HydrophobicContact CD1-CG 4.43Å; Y41-L93 HydrophobicContact CD2-CD1 3.84Å; Y41-L93 HydrophobicContact CD2-CD2 4.09Å; Y41-L93 HydrophobicContact CD2-CG 4.17Å; Y41-L93 HydrophobicContact CE1-CD1 3.91Å; Y41-L93 HydrophobicContact CE1-CG 4.33Å; Y41-L93 HydrophobicContact CE2-CD1 4.16Å; Y41-L93 HydrophobicContact CE2-CD2 4.15Å; Y41-L93 HydrophobicContact CE2-CG 4.08Å; Y41-L93 HydrophobicContact CG-CD1 3.55Å; Y41-L93 HydrophobicContact CG-CG 4.35Å; L55-L93 HydrophobicContact CD1-CD2 3.95Å; L55-L93 HydrophobicContact CD2-CD1 3.85Å; L55-L93 HydrophobicContact CD2-CD2 3.96Å; L55-L93 HydrophobicContact CG-CD2 3.98Å; I57-L93 HydrophobicContact CD1-CD2 3.9Å; I57-L93 HydrophobicContact CD1-CG 4.04Å; I57-L93 HydrophobicContact CG1-CD2 3.72Å; I57-L93 HydrophobicContact CG1-CG 4.38Å; M66-L93 HydrophobicContact CG-CD2 3.94Å; M66-L93 HydrophobicContact SD-CD2 3.68Å; L93-L95 HydrophobicContact CB-CD2 4.2Å; L93-L95 HydrophobicContact CD1-CD2 4.37Å; L93-L95 HydrophobicContact CD2-CD2 4.42Å; L93-V116 HydrophobicContact CD1-CG2 4.02Å
94	D	97.2	Very high	96.9	Very high	65 Å²	65	60.6 Å²	60.6	35%	0.348	36%	0.355	S	S	.	.			trans	-121.6	76.4	170.9	-173.1	1.6	0	0	0	110.1	M66 L88 T92 A96 Q97	M66-D94 VanDerWaalsContact CE-O 3.26Å; M66-D94 WeakPolarHBondContact CE-O 3.35Å; L88-D94 HydrophobicContact CD2-CB 4.39Å; T92-D94 PolarHBondContact O-N 3.04Å; D94-A96 PolarHBondContact O-N 3.44Å; D94-A96 VanDerWaalsContact O-N 3.08Å; D94-Q97 HydrophobicContact CB-CG 4.44Å; D94-Q97 PolarHBondContact O-N 3.28Å; D94-Q97 VanDerWaalsContact O-N 3.11Å; D94-Q97 WeakPolarHBondContact OD2-CG 3.28Å; D94-Q97 PolarHBondContact OD2-NE2 2.79Å
95	L	97.4	Very high	96.7	Very high	8 Å²	8	63.3 Å²	63.3	4%	0.042	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-61.5	-20.3	-173.4	-55.7	-174.7	0	0	0	113.4	L55 M66 L93 Q97 L98 L108 L112 A113	L55-L95 HydrophobicContact CD1-CD2 4.43Å; L55-L95 HydrophobicContact CD2-CD2 3.65Å; M66-L95 HydrophobicContact SD-CD2 4.24Å; L93-L95 HydrophobicContact CB-CD2 4.2Å; L93-L95 HydrophobicContact CD1-CD2 4.37Å; L93-L95 HydrophobicContact CD2-CD2 4.42Å; L95-Q97 PolarHBondContact O-N 2.84Å; L95-L98 HydrophobicContact CD2-CD1 4.45Å; L95-L98 PolarHBondContact O-N 2.8Å; L95-L108 HydrophobicContact CB-CD1 4.17Å; L95-L108 HydrophobicContact CB-CD2 3.79Å; L95-L108 HydrophobicContact CD1-CD1 3.93Å; L95-L112 HydrophobicContact CD1-CB 4.5Å; L95-L112 HydrophobicContact CD1-CD2 4.11Å; L95-L112 HydrophobicContact CD1-CG 4.1Å; L95-A113 HydrophobicContact CD1-CB 4.06Å
96	A	95.9	Very high	96.6	Very high	86 Å²	86	62.3 Å²	62.3	71%	0.711	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-69.7	-18.7	178.9	0	0	0	0	0	113	D94 L98	D94-A96 PolarHBondContact O-N 3.44Å; D94-A96 VanDerWaalsContact O-N 3.08Å; A96-L98 VanDerWaalsContact C-N 3.32Å
97	Q	97.1	Very high	96.5	Very high	93 Å²	93	68.9 Å²	68.9	44%	0.435	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-80.1	-11.7	175.8	-67.1	-164.4	65	0	0	113.8	V86 D94 L95	V86-Q97 HydrophobicContact CG1-CB 3.92Å; V86-Q97 HydrophobicContact CG1-CG 4.36Å; V86-Q97 VanDerWaalsContact CG1-OE1 3.28Å; V86-Q97 HydrophobicContact CG2-CB 4.12Å; D94-Q97 HydrophobicContact CB-CG 4.44Å; D94-Q97 PolarHBondContact O-N 3.28Å; D94-Q97 VanDerWaalsContact O-N 3.11Å; D94-Q97 WeakPolarHBondContact OD2-CG 3.28Å; D94-Q97 PolarHBondContact OD2-NE2 2.79Å; L95-Q97 PolarHBondContact O-N 2.84Å
98	L	97	Very high	96.4	Very high	11 Å²	11	67.2 Å²	67.2	6%	0.058	39%	0.388	C	S	.	.	S	Bend	trans	-78.7	136.4	175.3	-64.3	175.2	0	0	0	110.2	M66 M68 Y84 V86 L95 A96 V102 W103	M66-L98 HydrophobicContact CE-CD1 4.26Å; M66-L98 HydrophobicContact CE-CD2 3.9Å; M66-L98 HydrophobicContact CE-CG 3.8Å; M68-L98 HydrophobicContact CB-CD1 4.01Å; M68-L98 HydrophobicContact CB-CD2 3.96Å; M68-L98 HydrophobicContact CE-CD1 3.94Å; M68-L98 HydrophobicContact CG-CD1 4.44Å; Y84-L98 HydrophobicContact CD1-CD2 3.82Å; Y84-L98 HydrophobicContact CG-CD2 4.46Å; V86-L98 HydrophobicContact CG2-CD2 4.3Å; L95-L98 HydrophobicContact CD2-CD1 4.45Å; L95-L98 PolarHBondContact O-N 2.8Å; A96-L98 VanDerWaalsContact C-N 3.32Å; L98-V102 HydrophobicContact CB-CG2 4.36Å; L98-W103 HydrophobicContact CB-CZ2 3.96Å; L98-W103 HydrophobicContact CD1-CH2 3.78Å; L98-W103 HydrophobicContact CD1-CZ2 3.76Å; L98-W103 HydrophobicContact CG-CZ2 4.49Å
99	P	96.4	Very high	96.3	Very high	36 Å²	36	67.4 Å²	67.4	23%	0.234	39%	0.391	C	S	.	.			trans	-67.7	155.1	-179.9	28.4	-33.6	0	0	0	111.3	Y84 E101 V102	Y84-P99 HydrophobicContact CD2-CG 3.76Å; Y84-P99 HydrophobicContact CE2-CG 3.83Å; Y84-P99 HydrophobicContact CG-CG 4.16Å; P99-E101 PolarHBondContact O-N 2.9Å; P99-E101 VanDerWaalsContact O-N 3.15Å; P99-V102 HydrophobicContact CG-CG2 3.99Å; P99-V102 WeakPolarHBondContact O-CB 3.25Å; P99-V102 PolarHBondContact O-N 2.84Å
100	T	96.3	Very high	96.2	Very high	92 Å²	92	67.6 Å²	67.6	56%	0.564	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-58.3	-30.2	-179	47.2	0	0	0	0	113.6	V102 W103 G106	T100-V102 PolarHBondContact O-N 3.44Å; T100-V102 VanDerWaalsContact O-N 3.15Å; T100-W103 PolarHBondContact O-N 3.02Å; T100-W103 VanDerWaalsContact O-N 3.07Å; T100-G106 VanDerWaalsContact CB-O 3.22Å; T100-G106 WeakPolarHBondContact CB-O 3.46Å; T100-G106 WeakPolarHBondContact CG2-O 3.25Å; T100-G106 WeakPolarHBondContact O-CA 3.45Å
101	E	95.2	Very high	96.2	Very high	132 Å²	132	65.9 Å²	65.9	62%	0.617	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-59.4	-20	176.2	-63.2	175.8	-173.8	0	0	114.3	M1 P99 W103	M1-E101 HydrophobicContact CE-CB 4.32Å; M1-E101 PolarHBondContact N-OE2 2.88Å; P99-E101 PolarHBondContact O-N 2.9Å; P99-E101 VanDerWaalsContact O-N 3.15Å; E101-W103 PolarHBondContact O-N 3.11Å
102	V	95.8	Very high	96.2	Very high	5 Å²	5	62.8 Å²	62.8	3%	0.03	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-66.2	-31.4	175.3	166.3	0	0	0	0	111.3	M1 M53 M68 V70 L98 P99 T100	M1-V102 HydrophobicContact SD-CG2 3.78Å; M53-V102 HydrophobicContact CE-CG1 3.86Å; M68-V102 HydrophobicContact CE-CG1 4.19Å; M68-V102 HydrophobicContact CG-CG1 3.61Å; M68-V102 HydrophobicContact SD-CG1 4.48Å; V70-V102 HydrophobicContact CG1-CG1 4.22Å; L98-V102 HydrophobicContact CB-CG2 4.36Å; P99-V102 HydrophobicContact CG-CG2 3.99Å; P99-V102 WeakPolarHBondContact O-CB 3.25Å; P99-V102 PolarHBondContact O-N 2.84Å; T100-V102 PolarHBondContact O-N 3.44Å; T100-V102 VanDerWaalsContact O-N 3.15Å
103	W	96.4	Very high	96.1	Very high	12 Å²	12	61.9 Å²	61.9	5%	0.045	37%	0.374	C	S	.	.	S	Bend	trans	-94.7	134.4	-169.2	-46.8	115.3	0	0	0	110.7	W47 M53 M68 L98 T100 E101 N105 G106 E107 L108 L112	W47-W103 HydrophobicContact CH2-CE3 4.36Å; W47-W103 HydrophobicContact CZ3-CE3 4.38Å; W47-W103 HydrophobicContact CZ3-CZ3 4.46Å; M53-W103 HydrophobicContact CE-CE3 4.15Å; M53-W103 HydrophobicContact CE-CZ3 4.03Å; M68-W103 HydrophobicContact CE-CH2 3.82Å; M68-W103 HydrophobicContact CE-CZ3 3.85Å; L98-W103 HydrophobicContact CB-CZ2 3.96Å; L98-W103 HydrophobicContact CD1-CH2 3.78Å; L98-W103 HydrophobicContact CD1-CZ2 3.76Å; L98-W103 HydrophobicContact CG-CZ2 4.49Å; T100-W103 PolarHBondContact O-N 3.02Å; T100-W103 VanDerWaalsContact O-N 3.07Å; E101-W103 PolarHBondContact O-N 3.11Å; W103-N105 PolarHBondContact O-N 3.05Å; W103-N105 VanDerWaalsContact O-N 3.07Å; W103-G106 PolarHBondContact O-N 3.39Å; W103-E107 VanDerWaalsContact CB-O 3.25Å; W103-E107 WeakPolarHBondContact CB-O 3.46Å; W103-L108 HydrophobicContact CD2-CB 4.4Å; W103-L108 HydrophobicContact CD2-CD1 4.49Å; W103-L108 HydrophobicContact CH2-CD1 3.77Å; W103-L108 HydrophobicContact CZ2-CB 4.29Å; W103-L108 HydrophobicContact CZ2-CD1 3.68Å; W103-L108 HydrophobicContact CZ2-CG 4.47Å; W103-L108 HydrophobicContact CZ3-CD1 4.22Å; W103-L112 HydrophobicContact CH2-CD2 4.1Å; W103-L112 HydrophobicContact CZ3-CD2 3.82Å
104	P	94.1	Very high	96	Very high	69 Å²	69	64.5 Å²	64.5	45%	0.448	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-33.6	179.7	-27.7	33.4	0	0	0	114.5	H51	H51-P104 WeakPolarHBondContact CD2-CG 3.1Å
105	N	93.2	Very high	96.1	Very high	145 Å²	145	65.2 Å²	65.2	78%	0.775	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	4.3	179.2	-66.1	-32.5	0	0	0	113.6	W103 E107	W103-N105 PolarHBondContact O-N 3.05Å; W103-N105 VanDerWaalsContact O-N 3.07Å; N105-E107 PolarHBondContact O-N 3.26Å
106	G	95.7	Very high	96.1	Very high	37 Å²	37	65.5 Å²	65.5	38%	0.381	40%	0.396	S	S	.	.	S	Bend	trans	71.3	8.2	-171.2	0	0	0	0	0	114.2	T100 W103	T100-G106 VanDerWaalsContact CB-O 3.22Å; T100-G106 WeakPolarHBondContact CB-O 3.46Å; T100-G106 WeakPolarHBondContact CG2-O 3.25Å; T100-G106 WeakPolarHBondContact O-CA 3.45Å; W103-G106 PolarHBondContact O-N 3.39Å
107	E	96	Very high	96.2	Very high	148 Å²	148	67 Å²	67	69%	0.692	39%	0.387	S	S	*	.	S	Bend	trans	-142.8	139	-178.1	-170.3	176.1	-167.7	0	0	110.7	W103 N105 P109	W103-E107 VanDerWaalsContact CB-O 3.25Å; W103-E107 WeakPolarHBondContact CB-O 3.46Å; N105-E107 PolarHBondContact O-N 3.26Å; E107-P109 WeakPolarHBondContact O-CD 3.48Å
108	L	95.9	Very high	96.2	Very high	51 Å²	51	66.3 Å²	66.3	27%	0.267	39%	0.391	S	S	.	.			trans	-65.4	123.2	172.9	168.3	63.7	0	0	0	109.3	L95 W103 A110 L112	L95-L108 HydrophobicContact CB-CD1 4.17Å; L95-L108 HydrophobicContact CB-CD2 3.79Å; L95-L108 HydrophobicContact CD1-CD1 3.93Å; W103-L108 HydrophobicContact CD2-CB 4.4Å; W103-L108 HydrophobicContact CD2-CD1 4.49Å; W103-L108 HydrophobicContact CH2-CD1 3.77Å; W103-L108 HydrophobicContact CZ2-CB 4.29Å; W103-L108 HydrophobicContact CZ2-CD1 3.68Å; W103-L108 HydrophobicContact CZ2-CG 4.47Å; W103-L108 HydrophobicContact CZ3-CD1 4.22Å; L108-A110 PolarHBondContact O-N 2.87Å; L108-L112 HydrophobicContact CD1-CB 3.96Å; L108-L112 HydrophobicContact CD1-CD2 3.54Å; L108-L112 HydrophobicContact CD1-CG 4.25Å
109	P	95.9	Very high	96.3	Very high	29 Å²	29	68.3 Å²	68.3	19%	0.188	40%	0.402	C	S	.	.			trans	-56.1	127.8	174.5	-23.6	31.6	0	0	0	111.3	W47 E107 D111 L112	W47-P109 HydrophobicContact CH2-CG 3.65Å; W47-P109 HydrophobicContact CZ2-CG 3.61Å; W47-P109 HydrophobicContact CZ3-CG 4.27Å; E107-P109 WeakPolarHBondContact O-CD 3.48Å; P109-D111 PolarHBondContact O-N 2.88Å; P109-L112 HydrophobicContact CB-CB 4.18Å; P109-L112 VanDerWaalsContact O-CB 3.28Å; P109-L112 WeakPolarHBondContact O-CB 3.08Å; P109-L112 PolarHBondContact O-N 3.21Å
110	A	95.6	Very high	96.4	Very high	112 Å²	112	67 Å²	67	93%	0.926	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.9	-168.1	0	0	0	0	0	114.4	L108	L108-A110 PolarHBondContact O-N 2.87Å
111	D	96.6	Very high	96.5	Very high	65 Å²	65	64.4 Å²	64.4	35%	0.348	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-2.5	-179.4	63.5	-4	0	0	0	113.5	P109 A113 S114 R115	P109-D111 PolarHBondContact O-N 2.88Å; D111-A113 PolarHBondContact O-N 3.39Å; D111-S114 PolarHBondContact O-N 3.02Å; D111-S114 PolarHBondContact O-OG 3.29Å; D111-R115 HydrophobicContact CB-CG 4.4Å; D111-R115 WeakPolarHBondContact O-CG 3.37Å; D111-R115 PolarHBondContact O-N 3.27Å; D111-R115 IonicContact OD1-CZ 3.08Å; D111-R115 VanDerWaalsContact OD1-CZ 3.25Å; D111-R115 IonicContact OD1-NE 3.56Å; D111-R115 PolarHBondContact OD1-NE 3.19Å; D111-R115 IonicContact OD1-NH2 2.7Å; D111-R115 PolarHBondContact OD1-NH2 3.02Å; D111-R115 WeakPolarHBondContact OD2-CD 3.35Å; D111-R115 IonicContact OD2-CZ 3.81Å; D111-R115 IonicContact OD2-NE 2.59Å; D111-R115 PolarHBondContact OD2-NE 3.45Å; D111-R115 IonicContact OD2-NH1 3Å; D111-R115 IonicContact OD2-NH2 3.49Å; D111-R115 PolarHBondContact OD2-NH2 3.23Å; D111-R115 VanDerWaalsContact OD2-NH2 3.15Å
112	L	97	Very high	96.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-56.6	-50.3	-174.4	-176.3	61.8	0	0	0	111	T43 W47 L95 W103 L108 P109 S114 R115 V116	T43-L112 HydrophobicContact CG2-CD1 3.41Å; T43-L112 VanDerWaalsContact CG2-CD1 3.41Å; W47-L112 HydrophobicContact CE3-CD1 4.26Å; W47-L112 HydrophobicContact CZ3-CD2 4.24Å; L95-L112 HydrophobicContact CD1-CB 4.5Å; L95-L112 HydrophobicContact CD1-CD2 4.11Å; L95-L112 HydrophobicContact CD1-CG 4.1Å; W103-L112 HydrophobicContact CH2-CD2 4.1Å; W103-L112 HydrophobicContact CZ3-CD2 3.82Å; L108-L112 HydrophobicContact CD1-CB 3.96Å; L108-L112 HydrophobicContact CD1-CD2 3.54Å; L108-L112 HydrophobicContact CD1-CG 4.25Å; P109-L112 HydrophobicContact CB-CB 4.18Å; P109-L112 VanDerWaalsContact O-CB 3.28Å; P109-L112 WeakPolarHBondContact O-CB 3.08Å; P109-L112 PolarHBondContact O-N 3.21Å; L112-S114 PolarHBondContact O-N 3.47Å; L112-S114 VanDerWaalsContact O-N 3.16Å; L112-R115 PolarHBondContact O-N 3.1Å; L112-V116 HydrophobicContact CD1-CG1 3.63Å; L112-V116 HydrophobicContact CG-CG1 4Å; L112-V116 WeakPolarHBondContact O-CG1 3.37Å; L112-V116 WeakPolarHBondContact O-CG2 3.42Å; L112-V116 PolarHBondContact O-N 2.87Å
113	A	96.2	Very high	96.8	Very high	68 Å²	68	60.5 Å²	60.5	56%	0.562	36%	0.361	S	S	*	.	H	α-helix	trans	-57.5	-31.9	179.6	0	0	0	0	0	113.3	L95 D111	L95-A113 HydrophobicContact CD1-CB 4.06Å; D111-A113 PolarHBondContact O-N 3.39Å
114	S	96.4	Very high	97	Very high	91 Å²	91	60 Å²	60	64%	0.636	36%	0.36	S	S	*	.	H	α-helix	trans	-84	-22.6	179.8	71.3	0	0	0	0	113.8	D111 L112	D111-S114 PolarHBondContact O-N 3.02Å; D111-S114 PolarHBondContact O-OG 3.29Å; L112-S114 PolarHBondContact O-N 3.47Å; L112-S114 VanDerWaalsContact O-N 3.16Å
115	R	97.2	Very high	97.2	Very high	79 Å²	79	62.4 Å²	62.4	30%	0.298	36%	0.361	S	S	.	.	H	α-helix	trans	-99.6	-25.5	-174.3	-68.1	-169.3	-60.2	165	-10.7	113.6	T43 P44 D111 L112 Q117	T43-R115 HydrophobicContact CG2-CB 4.28Å; P44-R115 WeakPolarHBondContact CD-O 3.31Å; D111-R115 HydrophobicContact CB-CG 4.4Å; D111-R115 WeakPolarHBondContact O-CG 3.37Å; D111-R115 PolarHBondContact O-N 3.27Å; D111-R115 IonicContact OD1-CZ 3.08Å; D111-R115 VanDerWaalsContact OD1-CZ 3.25Å; D111-R115 IonicContact OD1-NE 3.56Å; D111-R115 PolarHBondContact OD1-NE 3.19Å; D111-R115 IonicContact OD1-NH2 2.7Å; D111-R115 PolarHBondContact OD1-NH2 3.02Å; D111-R115 WeakPolarHBondContact OD2-CD 3.35Å; D111-R115 IonicContact OD2-CZ 3.81Å; D111-R115 IonicContact OD2-NE 2.59Å; D111-R115 PolarHBondContact OD2-NE 3.45Å; D111-R115 IonicContact OD2-NH1 3Å; D111-R115 IonicContact OD2-NH2 3.49Å; D111-R115 PolarHBondContact OD2-NH2 3.23Å; D111-R115 VanDerWaalsContact OD2-NH2 3.15Å; L112-R115 PolarHBondContact O-N 3.1Å; R115-Q117 PolarHBondContact O-N 3.07Å
116	V	97.8	Very high	97.4	Very high	15 Å²	15	56.2 Å²	56.2	9%	0.091	33%	0.326	C	S	.	.			trans	-62.2	136.8	178.9	-70.8	0	0	0	0	111.1	E42 T43 L93 L112	E42-V116 WeakPolarHBondContact O-CA 3.46Å; T43-V116 HydrophobicContact CG2-CG1 4.03Å; L93-V116 HydrophobicContact CD1-CG2 4.02Å; L112-V116 HydrophobicContact CD1-CG1 3.63Å; L112-V116 HydrophobicContact CG-CG1 4Å; L112-V116 WeakPolarHBondContact O-CG1 3.37Å; L112-V116 WeakPolarHBondContact O-CG2 3.42Å; L112-V116 PolarHBondContact O-N 2.87Å
117	Q	97.9	Very high	97.6	Very high	116 Å²	116	55 Å²	55	54%	0.542	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	151.6	173.7	-66.3	-64.4	-33.8	0	0	109.2	Y41 E42 R115 L119	Y41-Q117 WeakPolarHBondContact CA-O 3.47Å; E42-Q117 PolarHBondContact N-O 3.37Å; E42-Q117 PolarHBondContact O-N 3.03Å; R115-Q117 PolarHBondContact O-N 3.07Å; Q117-L119 PolarHBondContact O-N 3.45Å; Q117-L119 VanDerWaalsContact O-N 3.11Å
118	P	98.3	Very high	97.7	Very high	79 Å²	79	49.5 Å²	49.5	51%	0.513	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	116.4	164.2	-24	35	0	0	0	109.7	I39 Y41	I39-P118 HydrophobicContact CG2-CB 3.74Å; I39-P118 HydrophobicContact CG2-CG 4.31Å; Y41-P118 HydrophobicContact CD1-CG 4.38Å; Y41-P118 HydrophobicContact CE1-CG 3.94Å
119	L	98.6	Very high	97.9	Very high	54 Å²	54	47.2 Å²	47.2	28%	0.283	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-44.5	-178	-175.3	65.9	0	0	0	111.6	Y40 E42 Q117 Y196 A199	Y40-L119 PolarHBondContact O-N 2.95Å; E42-L119 HydrophobicContact CB-CB 3.97Å; E42-L119 HydrophobicContact CB-CD2 3.6Å; E42-L119 HydrophobicContact CB-CG 4.33Å; E42-L119 HydrophobicContact CG-CD2 3.89Å; Q117-L119 PolarHBondContact O-N 3.45Å; Q117-L119 VanDerWaalsContact O-N 3.11Å; L119-Y196 HydrophobicContact CD2-CD1 3.66Å; L119-Y196 HydrophobicContact CD2-CE1 3.73Å; L119-A199 HydrophobicContact CD1-CB 3.79Å; L119-A199 HydrophobicContact CD2-CB 3.91Å; L119-A199 HydrophobicContact CG-CB 3.7Å
120	F	98.8	Very high	98	Very high	7 Å²	7	48.4 Å²	48.4	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	164.4	-179.6	64.3	-93.4	0	0	0	110.7	Y40 V147 K148 A149 A192 Y196	Y40-F120 VanDerWaalsContact CB-CE2 3.45Å; Y40-F120 AromaticContact CD1-CE2 3.87Å; Y40-F120 HydrophobicContact CD1-CE2 3.87Å; Y40-F120 AromaticContact CD1-CZ 3.63Å; Y40-F120 HydrophobicContact CD1-CZ 3.63Å; Y40-F120 AromaticContact CD2-CD2 3.85Å; Y40-F120 HydrophobicContact CD2-CD2 3.85Å; Y40-F120 AromaticContact CD2-CE2 3.26Å; Y40-F120 HydrophobicContact CD2-CE2 3.26Å; Y40-F120 AromaticContact CD2-CZ 3.9Å; Y40-F120 HydrophobicContact CD2-CZ 3.9Å; Y40-F120 HydrophobicContact CE1-CE2 4.42Å; Y40-F120 HydrophobicContact CE1-CZ 4.38Å; Y40-F120 AromaticContact CE2-CE2 3.89Å; Y40-F120 HydrophobicContact CE2-CE2 3.89Å; Y40-F120 HydrophobicContact CG-CD2 4.02Å; Y40-F120 HydrophobicContact CG-CE1 4.19Å; Y40-F120 AromaticContact CG-CE2 3.24Å; Y40-F120 HydrophobicContact CG-CE2 3.24Å; Y40-F120 AromaticContact CG-CZ 3.33Å; Y40-F120 HydrophobicContact CG-CZ 3.33Å; Y40-F120 PolarHBondContact N-O 3.41Å; F120-V147 HydrophobicContact CD2-CG2 4.27Å; F120-K148 CarbonylContact C-O 3.5Å; F120-K148 VanDerWaalsContact CA-O 3.25Å; F120-K148 WeakPolarHBondContact CA-O 3.29Å; F120-K148 VanDerWaalsContact CB-O 3.23Å; F120-K148 WeakPolarHBondContact CB-O 3.29Å; F120-A149 HydrophobicContact CB-CB 3.74Å; F120-A192 HydrophobicContact CZ-CB 4.14Å; F120-A192 WeakPolarHBondContact CZ-O 3.4Å; F120-Y196 AromaticContact CE1-CD1 3.99Å; F120-Y196 HydrophobicContact CE1-CD1 3.99Å; F120-Y196 HydrophobicContact CE1-CD2 4.13Å; F120-Y196 HydrophobicContact CE1-CE1 4.07Å; F120-Y196 HydrophobicContact CE1-CE2 4.23Å; F120-Y196 HydrophobicContact CE1-CG 4.01Å; F120-Y196 HydrophobicContact CZ-CD2 4.34Å; F120-Y196 HydrophobicContact CZ-CE2 4.4Å
121	S	98.7	Very high	98.1	Very high	39 Å²	39	43.7 Å²	43.7	27%	0.273	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	158.6	176	59.1	0	0	0	0	111.9	N38 V147 K148	N38-S121 CarbonylContact O-C 3.56Å; N38-S121 WeakPolarHBondContact O-CA 3.18Å; N38-S121 VanDerWaalsContact O-CB 3.28Å; N38-S121 WeakPolarHBondContact O-CB 3.41Å; S121-V147 WeakPolarHBondContact O-CA 3.25Å; S121-K148 PolarHBondContact N-O 3.31Å; S121-K148 PolarHBondContact O-N 3.25Å
122	T	98.7	Very high	98.2	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	121.3	163.2	64.7	0	0	0	0	108.7	N38 Y40 E146 V147 I156 K191	N38-T122 VanDerWaalsContact CB-OG1 3.29Å; N38-T122 WeakPolarHBondContact CB-OG1 3.38Å; N38-T122 PolarHBondContact N-O 2.87Å; N38-T122 PolarHBondContact ND2-O 3.09Å; N38-T122 PolarHBondContact ND2-OG1 3.1Å; N38-T122 VanDerWaalsContact ND2-OG1 3.14Å; N38-T122 PolarHBondContact O-N 2.78Å; Y40-T122 HydrophobicContact CE2-CG2 4.01Å; T122-E146 WeakPolarHBondContact CA-O 3.35Å; T122-V147 HydrophobicContact CG2-CB 3.98Å; T122-V147 HydrophobicContact CG2-CG2 3.79Å; T122-I156 HydrophobicContact CG2-CD1 4.24Å; T122-K191 HydrophobicContact CG2-CB 4.13Å
123	D	98.6	Very high	98.2	Very high	53 Å²	53	45 Å²	45	28%	0.283	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	110.8	179.6	-177.5	-8.6	0	0	0	107.8	Q35 L37 G145 E146	Q35-D123 PolarHBondContact NE2-OD1 2.95Å; Q35-D123 PolarHBondContact NE2-OD2 2.8Å; L37-D123 HydrophobicContact CD2-CB 4Å; L37-D123 WeakPolarHBondContact CD2-OD1 3.3Å; L37-D123 WeakPolarHBondContact CD2-OD2 3.48Å; D123-G145 CarbonylContact O-C 3.4Å; D123-G145 WeakPolarHBondContact O-CA 3.45Å; D123-E146 HydrophobicContact CB-CG 4.49Å; D123-E146 PolarHBondContact N-O 3.03Å; D123-E146 PolarHBondContact O-N 3.32Å
124	F	98.8	Very high	98.3	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.009	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	155.5	-176.8	60.6	-88.1	0	0	0	111.8	L36 N38 R126 D143 Q144 I156 K191	L36-F124 HydrophobicContact CB-CE2 4.19Å; L36-F124 HydrophobicContact CB-CZ 4.16Å; L36-F124 HydrophobicContact CD1-CE2 3.85Å; L36-F124 HydrophobicContact CD1-CZ 4.07Å; L36-F124 HydrophobicContact CG-CE2 4.44Å; L36-F124 PolarHBondContact N-O 2.96Å; L36-F124 PolarHBondContact O-N 3.32Å; N38-F124 WeakPolarHBondContact ND2-CE1 3.33Å; F124-R126 HydrophobicContact CD2-CB 4.41Å; F124-R126 HydrophobicContact CE2-CB 4.2Å; F124-D143 HydrophobicContact CD2-CB 3.74Å; F124-D143 HydrophobicContact CE2-CB 4.07Å; F124-D143 WeakPolarHBondContact CE2-OD1 3.36Å; F124-D143 WeakPolarHBondContact CE2-OD2 3.24Å; F124-D143 HydrophobicContact CG-CB 4.47Å; F124-Q144 CarbonylContact C-O 3.6Å; F124-Q144 VanDerWaalsContact CA-O 3.27Å; F124-Q144 WeakPolarHBondContact CA-O 3.35Å; F124-Q144 WeakPolarHBondContact CB-O 3.37Å; F124-I156 HydrophobicContact CB-CD1 4.4Å; F124-I156 HydrophobicContact CB-CG2 4.34Å; F124-I156 HydrophobicContact CD1-CD1 3.81Å; F124-I156 HydrophobicContact CE1-CD1 4.5Å; F124-I156 HydrophobicContact CG-CD1 4.36Å; F124-K191 HydrophobicContact CE1-CD 3.95Å; F124-K191 HydrophobicContact CZ-CD 4.25Å
125	Y	98.8	Very high	98.3	Very high	120 Å²	120	46.8 Å²	46.8	47%	0.471	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.4	168.7	-69.2	-96.5	0	0	0	109.3	P33 V34 Q35 D143 Q144	P33-Y125 HydrophobicContact CB-CD1 4.35Å; V34-Y125 CarbonylContact O-C 3.54Å; V34-Y125 VanDerWaalsContact O-CA 3.31Å; V34-Y125 WeakPolarHBondContact O-CA 3.37Å; Q35-Y125 HydrophobicContact CB-CD1 4.12Å; Q35-Y125 HydrophobicContact CB-CE1 3.82Å; Q35-Y125 HydrophobicContact CG-CE1 4.37Å; Q35-Y125 HydrophobicContact CG-CE2 4.4Å; Y125-D143 WeakPolarHBondContact O-CA 3.5Å; Y125-Q144 PolarHBondContact N-O 3.08Å; Y125-Q144 PolarHBondContact O-N 3.02Å
126	R	98.7	Very high	98.3	Very high	14 Å²	14	43.2 Å²	43.2	5%	0.053	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	116.3	175.1	175.3	166.9	-70.1	-158.7	-4.5	110.1	P33 V34 L36 F124 K128 E139 A141 L142 D143 E160	P33-R126 WeakPolarHBondContact CA-O 3.45Å; V34-R126 PolarHBondContact N-O 3.05Å; V34-R126 PolarHBondContact O-N 3.29Å; L36-R126 HydrophobicContact CD1-CB 3.9Å; L36-R126 HydrophobicContact CG-CB 4.35Å; F124-R126 HydrophobicContact CD2-CB 4.41Å; F124-R126 HydrophobicContact CE2-CB 4.2Å; R126-K128 HydrophobicContact CG-CD 4.38Å; R126-K128 HydrophobicContact CG-CG 3.8Å; R126-E139 IonicContact NH1-OE1 2.71Å; R126-A141 HydrophobicContact CG-CB 3.97Å; R126-L142 WeakPolarHBondContact CA-O 3.32Å; R126-D143 VanDerWaalsContact CB-OD1 3.31Å; R126-D143 WeakPolarHBondContact CB-OD1 3.29Å; R126-D143 WeakPolarHBondContact CG-OD1 3.33Å; R126-D143 IonicContact CZ-OD1 3.72Å; R126-D143 IonicContact CZ-OD2 3.89Å; R126-D143 IonicContact NE-OD1 3.7Å; R126-D143 PolarHBondContact NE-OD1 2.95Å; R126-D143 IonicContact NE-OD2 2.78Å; R126-D143 IonicContact NH2-OD1 3.36Å; R126-D143 PolarHBondContact NH2-OD1 3.43Å; R126-D143 IonicContact NH2-OD2 3.62Å; R126-D143 PolarHBondContact NH2-OD2 2.88Å; R126-E160 IonicContact CZ-OE2 2.8Å; R126-E160 IonicContact NH1-OE2 3.83Å; R126-E160 IonicContact NH2-OE2 3.68Å; R126-E160 PolarHBondContact NH2-OE2 3.36Å
127	E	98.8	Very high	98.4	Very high	11 Å²	11	45.8 Å²	45.8	5%	0.051	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	138.9	168.5	-164.6	175.9	-179.3	0	0	109.2	R20 H30 P33 W129 A141 L142	R20-E127 WeakPolarHBondContact CD-OE2 3.39Å; R20-E127 IonicContact CZ-OE2 3.61Å; R20-E127 IonicContact NE-OE1 2.75Å; R20-E127 IonicContact NE-OE2 3.73Å; R20-E127 PolarHBondContact NE-OE2 2.78Å; R20-E127 IonicContact NH2-OE2 3.8Å; H30-E127 IonicContact CD2-OE1 2.71Å; H30-E127 IonicContact CE1-OE1 2.92Å; H30-E127 IonicContact NE2-OE1 3.77Å; H30-E127 PolarHBondContact NE2-OE1 2.95Å; P33-E127 HydrophobicContact CB-CB 4.4Å; P33-E127 HydrophobicContact CG-CB 4Å; P33-E127 HydrophobicContact CG-CG 4Å; E127-W129 HydrophobicContact CB-CH2 3.87Å; E127-W129 HydrophobicContact CB-CZ3 4Å; E127-W129 HydrophobicContact CG-CH2 3.45Å; E127-W129 VanDerWaalsContact CG-CH2 3.45Å; E127-W129 HydrophobicContact CG-CZ2 3.9Å; E127-W129 HydrophobicContact CG-CZ3 3.93Å; E127-W129 WeakPolarHBondContact OE1-CZ2 3.38Å; E127-A141 WeakPolarHBondContact O-CA 3.37Å; E127-L142 HydrophobicContact CB-CB 4.39Å; E127-L142 PolarHBondContact N-O 3.24Å; E127-L142 PolarHBondContact O-N 3.29Å
128	K	98.7	Very high	98.4	Very high	33 Å²	33	40.3 Å²	40.3	14%	0.143	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.6	-170.6	-59.9	-170.1	-64.7	-71.6	0	113.3	H30 H31 R126 E139 I140	H30-K128 CarbonylContact C-O 3.55Å; H30-K128 WeakPolarHBondContact CA-O 3.48Å; H30-K128 PolarHBondContact CD2-O 2.88Å; H31-K128 HydrophobicContact CB-CB 4.33Å; H31-K128 PolarHBondContact N-O 3.43Å; H31-K128 PolarHBondContact O-N 2.94Å; H31-K128 VanDerWaalsContact O-N 3.13Å; R126-K128 HydrophobicContact CG-CD 4.38Å; R126-K128 HydrophobicContact CG-CG 3.8Å; K128-E139 HydrophobicContact CD-CG 4.35Å; K128-E139 WeakPolarHBondContact CD-OE2 3.42Å; K128-I140 CarbonylContact C-O 3.57Å; K128-I140 VanDerWaalsContact CA-O 3.27Å; K128-I140 WeakPolarHBondContact CA-O 3.19Å
129	W	98.7	Very high	98.4	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.011	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	125.8	165.6	-57.4	-103.9	0	0	0	109.8	R20 L23 N24 E29 H30 E127 I140 L142	R20-W129 HydrophobicContact CG-CH2 4.21Å; R20-W129 HydrophobicContact CG-CZ2 3.96Å; L23-W129 HydrophobicContact CB-CD2 4.02Å; L23-W129 HydrophobicContact CB-CE3 4.43Å; L23-W129 HydrophobicContact CB-CH2 4.43Å; L23-W129 HydrophobicContact CB-CZ2 4.01Å; L23-W129 HydrophobicContact CD1-CD2 4.28Å; L23-W129 HydrophobicContact CD1-CE3 3.84Å; L23-W129 HydrophobicContact CD1-CH2 3.82Å; L23-W129 HydrophobicContact CD1-CZ2 4.25Å; L23-W129 HydrophobicContact CD1-CZ3 3.6Å; N24-W129 PolarHBondContact OD1-NE1 3.21Å; E29-W129 CarbonylContact O-C 3.53Å; E29-W129 VanDerWaalsContact O-CA 3.28Å; E29-W129 WeakPolarHBondContact O-CA 3.46Å; H30-W129 AromaticContact CD2-CD1 3.76Å; H30-W129 AromaticContact CD2-CE2 3.39Å; H30-W129 AromaticContact CD2-CZ2 3.73Å; H30-W129 AromaticContact CD2-NE1 3.21Å; H30-W129 PolarHBondContact CD2-NE1 2.83Å; H30-W129 AromaticContact CG-NE1 3.82Å; H30-W129 AromaticContact NE2-CZ2 3.92Å; E127-W129 HydrophobicContact CB-CH2 3.87Å; E127-W129 HydrophobicContact CB-CZ3 4Å; E127-W129 HydrophobicContact CG-CH2 3.45Å; E127-W129 VanDerWaalsContact CG-CH2 3.45Å; E127-W129 HydrophobicContact CG-CZ2 3.9Å; E127-W129 HydrophobicContact CG-CZ3 3.93Å; E127-W129 WeakPolarHBondContact OE1-CZ2 3.38Å; W129-I140 HydrophobicContact CB-CB 4.16Å; W129-I140 HydrophobicContact CB-CD1 4.4Å; W129-I140 HydrophobicContact CE3-CB 4.33Å; W129-I140 HydrophobicContact CE3-CG2 4.12Å; W129-I140 PolarHBondContact N-O 3.45Å; W129-I140 PolarHBondContact O-N 3.05Å; W129-L142 HydrophobicContact CH2-CB 4.11Å; W129-L142 HydrophobicContact CH2-CD2 4.22Å; W129-L142 HydrophobicContact CZ3-CB 3.7Å
130	L	98.7	Very high	98.4	Very high	55 Å²	55	36 Å²	36	29%	0.288	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	119.8	171.5	178.7	64.2	0	0	0	109.7	G28 E29 L164	G28-L130 CarbonylContact C-O 3.52Å; G28-L130 WeakPolarHBondContact CA-O 3.48Å; E29-L130 HydrophobicContact CB-CB 4.23Å; E29-L130 PolarHBondContact N-O 3.2Å; E29-L130 PolarHBondContact O-N 3.01Å; L130-L164 HydrophobicContact CD1-CD1 3.61Å
131	V	98.5	Very high	98.4	Very high	12 Å²	12	35.7 Å²	35.7	7%	0.073	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	148.1	-177.9	-61.2	0	0	0	0	112	L26 V133 I138 I140 L174	L26-V131 HydrophobicContact CB-CG1 4.28Å; V131-V133 HydrophobicContact CG2-CG2 4.37Å; V131-I138 HydrophobicContact CG2-CB 4.02Å; V131-I138 PolarHBondContact N-O 3.2Å; V131-I138 PolarHBondContact O-N 3.29Å; V131-I140 HydrophobicContact CG1-CD1 4.06Å; V131-I140 HydrophobicContact CG2-CD1 3.98Å; V131-I140 HydrophobicContact CG2-CG1 4.15Å; V131-L174 HydrophobicContact CG2-CD2 3.89Å
132	A	98.2	Very high	98.4	Very high	74 Å²	74	34 Å²	34	61%	0.612	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.4	173.7	0	0	0	0	0	110.5	S136	A132-S136 WeakPolarHBondContact CA-O 3.43Å
133	V	98	Very high	98.4	Very high	20 Å²	20	33.9 Å²	33.9	12%	0.121	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	114.1	179	-178.3	0	0	0	0	109.2	V131 G135 S136 I138 A170 K173	V131-V133 HydrophobicContact CG2-CG2 4.37Å; V133-G135 PolarHBondContact O-N 3.07Å; V133-G135 VanDerWaalsContact O-N 3.11Å; V133-S136 PolarHBondContact N-O 2.99Å; V133-S136 WeakPolarHBondContact O-CA 3.36Å; V133-S136 VanDerWaalsContact O-CB 3.31Å; V133-S136 WeakPolarHBondContact O-CB 3.46Å; V133-S136 PolarHBondContact O-N 2.71Å; V133-I138 HydrophobicContact CB-CD1 4.16Å; V133-I138 HydrophobicContact CG2-CD1 4.08Å; V133-A170 HydrophobicContact CB-CB 4.12Å; V133-A170 HydrophobicContact CG1-CB 4Å; V133-K173 HydrophobicContact CG1-CD 4.01Å; V133-K173 HydrophobicContact CG1-CG 4.44Å
134	D	96.6	Very high	98.4	Very high	121 Å²	121	33.9 Å²	33.9	65%	0.647	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	38.4	178	-57.2	-19.9	0	0	0	114.2	S136 K173	D134-S136 VanDerWaalsContact C-N 3.31Å; D134-S136 PolarHBondContact O-N 2.84Å; D134-K173 IonicContact OD1-NZ 2.68Å; D134-K173 PolarHBondContact OD1-NZ 2.58Å; D134-K173 WeakPolarHBondContact OD2-CD 3.34Å; D134-K173 IonicContact OD2-NZ 2.8Å; D134-K173 PolarHBondContact OD2-NZ 3.35Å
135	G	96.6	Very high	98.4	Very high	74 Å²	74	35.3 Å²	35.3	76%	0.763	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	84	-1.9	-178.3	0	0	0	0	0	115.2	V133	V133-G135 PolarHBondContact O-N 3.07Å; V133-G135 VanDerWaalsContact O-N 3.11Å
136	S	98.3	Very high	98.4	Very high	5 Å²	5	33.1 Å²	33.1	4%	0.035	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	150.8	170.6	-50.9	0	0	0	0	110.8	A132 V133 D134 S165 G166 D167 A170	A132-S136 WeakPolarHBondContact CA-O 3.43Å; V133-S136 PolarHBondContact N-O 2.99Å; V133-S136 WeakPolarHBondContact O-CA 3.36Å; V133-S136 VanDerWaalsContact O-CB 3.31Å; V133-S136 WeakPolarHBondContact O-CB 3.46Å; V133-S136 PolarHBondContact O-N 2.71Å; D134-S136 VanDerWaalsContact C-N 3.31Å; D134-S136 PolarHBondContact O-N 2.84Å; S136-S165 CarbonylContact C-O 3.52Å; S136-S165 VanDerWaalsContact CA-O 3.27Å; S136-S165 WeakPolarHBondContact CA-O 3.34Å; S136-S165 WeakPolarHBondContact CB-O 3.35Å; S136-G166 WeakPolarHBondContact OG-CA 3.19Å; S136-D167 PolarHBondContact OG-N 3.38Å; S136-A170 WeakPolarHBondContact OG-CB 3.34Å
137	Q	98.5	Very high	98.4	Very high	69 Å²	69	32.5 Å²	32.5	32%	0.322	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.1	174.3	-65.3	-64.8	-40.3	0	0	109.2	L164 S165	Q137-L164 HydrophobicContact CB-CB 4.18Å; Q137-L164 PolarHBondContact O-N 2.84Å; Q137-S165 PolarHBondContact N-O 3.41Å; Q137-S165 PolarHBondContact O-N 3.32Å
138	I	98.8	Very high	98.4	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125.2	-177	-58.7	168.2	0	0	0	109	V131 V133 L161 E162 L163 A170 V171 L174	V131-I138 HydrophobicContact CG2-CB 4.02Å; V131-I138 PolarHBondContact N-O 3.2Å; V131-I138 PolarHBondContact O-N 3.29Å; V133-I138 HydrophobicContact CB-CD1 4.16Å; V133-I138 HydrophobicContact CG2-CD1 4.08Å; I138-L161 HydrophobicContact CG2-CB 4.19Å; I138-E162 CarbonylContact C-O 3.54Å; I138-E162 VanDerWaalsContact CA-O 3.25Å; I138-E162 WeakPolarHBondContact CA-O 3.24Å; I138-E162 WeakPolarHBondContact CG2-O 3.4Å; I138-L163 HydrophobicContact CG1-CD1 4.26Å; I138-A170 HydrophobicContact CD1-CB 4.14Å; I138-V171 HydrophobicContact CD1-CG2 4.08Å; I138-V171 HydrophobicContact CG1-CG2 4.25Å; I138-L174 HydrophobicContact CB-CD2 4.45Å; I138-L174 HydrophobicContact CD1-CB 4.41Å; I138-L174 HydrophobicContact CD1-CD2 4.11Å; I138-L174 HydrophobicContact CG2-CD2 3.93Å
139	E	98.8	Very high	98.4	Very high	43 Å²	43	34.7 Å²	34.7	20%	0.201	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	121.2	165.9	-179.8	176.9	111.5	0	0	108.6	R126 K128 E162 L164	R126-E139 IonicContact NH1-OE1 2.71Å; K128-E139 HydrophobicContact CD-CG 4.35Å; K128-E139 WeakPolarHBondContact CD-OE2 3.42Å; E139-E162 HydrophobicContact CB-CB 4.43Å; E139-E162 PolarHBondContact N-O 3.33Å; E139-E162 PolarHBondContact O-N 2.9Å; E139-L164 HydrophobicContact CB-CD1 4.19Å; E139-L164 HydrophobicContact CB-CD2 4.12Å; E139-L164 HydrophobicContact CB-CG 4.19Å
140	I	98.8	Very high	98.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.9	168.3	-51.6	179.1	0	0	0	107.1	L23 L26 K128 W129 V131 L159 E160 L161 L174	L23-I140 HydrophobicContact CD1-CG2 4.04Å; L23-I140 HydrophobicContact CD2-CD1 4.01Å; L23-I140 HydrophobicContact CD2-CG2 3.96Å; L26-I140 HydrophobicContact CD1-CD1 3.64Å; K128-I140 CarbonylContact C-O 3.57Å; K128-I140 VanDerWaalsContact CA-O 3.27Å; K128-I140 WeakPolarHBondContact CA-O 3.19Å; W129-I140 HydrophobicContact CB-CB 4.16Å; W129-I140 HydrophobicContact CB-CD1 4.4Å; W129-I140 HydrophobicContact CE3-CB 4.33Å; W129-I140 HydrophobicContact CE3-CG2 4.12Å; W129-I140 PolarHBondContact N-O 3.45Å; W129-I140 PolarHBondContact O-N 3.05Å; V131-I140 HydrophobicContact CG1-CD1 4.06Å; V131-I140 HydrophobicContact CG2-CD1 3.98Å; V131-I140 HydrophobicContact CG2-CG1 4.15Å; I140-L159 HydrophobicContact CG2-CD1 3.54Å; I140-L159 HydrophobicContact CG2-CG 4.32Å; I140-E160 CarbonylContact C-O 3.55Å; I140-E160 WeakPolarHBondContact CA-O 3.46Å; I140-L161 HydrophobicContact CB-CD2 4.32Å; I140-L161 HydrophobicContact CG1-CD2 3.96Å; I140-L161 HydrophobicContact CG2-CD2 3.91Å; I140-L174 HydrophobicContact CD1-CD2 3.91Å; I140-L174 HydrophobicContact CG1-CD2 4.07Å
141	A	98.8	Very high	98.3	Very high	1 Å²	1	44 Å²	44	1%	0.008	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.3	176.2	0	0	0	0	0	111	R126 E127 L159 E160	R126-A141 HydrophobicContact CG-CB 3.97Å; E127-A141 WeakPolarHBondContact O-CA 3.37Å; A141-L159 CarbonylContact O-C 3.58Å; A141-L159 VanDerWaalsContact O-CA 3.31Å; A141-L159 WeakPolarHBondContact O-CA 3.23Å; A141-E160 HydrophobicContact CB-CB 4.33Å; A141-E160 PolarHBondContact N-O 3.16Å; A141-E160 PolarHBondContact O-N 3.27Å
142	L	98.8	Very high	98.3	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	113.2	171	178.1	62.9	0	0	0	109.1	V11 L19 R20 R126 E127 W129 L159	V11-L142 HydrophobicContact CG2-CD1 4.32Å; L19-L142 HydrophobicContact CD2-CD1 4.04Å; R20-L142 HydrophobicContact CB-CD2 4.44Å; R126-L142 WeakPolarHBondContact CA-O 3.32Å; E127-L142 HydrophobicContact CB-CB 4.39Å; E127-L142 PolarHBondContact N-O 3.24Å; E127-L142 PolarHBondContact O-N 3.29Å; W129-L142 HydrophobicContact CH2-CB 4.11Å; W129-L142 HydrophobicContact CH2-CD2 4.22Å; W129-L142 HydrophobicContact CZ3-CB 3.7Å; L142-L159 HydrophobicContact CB-CD1 4.29Å; L142-L159 HydrophobicContact CD1-CD1 4.47Å
143	D	98.8	Very high	98.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129	-174.8	-69.4	-17.8	0	0	0	111.5	F124 Y125 R126 I156 C157 E158 K191	F124-D143 HydrophobicContact CD2-CB 3.74Å; F124-D143 HydrophobicContact CE2-CB 4.07Å; F124-D143 WeakPolarHBondContact CE2-OD1 3.36Å; F124-D143 WeakPolarHBondContact CE2-OD2 3.24Å; F124-D143 HydrophobicContact CG-CB 4.47Å; Y125-D143 WeakPolarHBondContact O-CA 3.5Å; R126-D143 VanDerWaalsContact CB-OD1 3.31Å; R126-D143 WeakPolarHBondContact CB-OD1 3.29Å; R126-D143 WeakPolarHBondContact CG-OD1 3.33Å; R126-D143 IonicContact CZ-OD1 3.72Å; R126-D143 IonicContact CZ-OD2 3.89Å; R126-D143 IonicContact NE-OD1 3.7Å; R126-D143 PolarHBondContact NE-OD1 2.95Å; R126-D143 IonicContact NE-OD2 2.78Å; R126-D143 IonicContact NH2-OD1 3.36Å; R126-D143 PolarHBondContact NH2-OD1 3.43Å; R126-D143 IonicContact NH2-OD2 3.62Å; R126-D143 PolarHBondContact NH2-OD2 2.88Å; D143-I156 HydrophobicContact CB-CG2 3.86Å; D143-C157 VanDerWaalsContact O-CA 3.32Å; D143-C157 WeakPolarHBondContact O-CA 3.44Å; D143-E158 HydrophobicContact CB-CG 3.94Å; D143-E158 PolarHBondContact N-O 3.38Å; D143-E158 PolarHBondContact O-N 3.12Å; D143-K191 VanDerWaalsContact OD2-CE 3.25Å; D143-K191 WeakPolarHBondContact OD2-CE 3.15Å; D143-K191 IonicContact OD2-NZ 3.61Å; D143-K191 PolarHBondContact OD2-NZ 3.38Å
144	Q	98.8	Very high	98.3	Very high	52 Å²	52	46.1 Å²	46.1	24%	0.243	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	125.4	175.9	-74.2	174.4	56	0	0	112.3	F124 Y125 I156	F124-Q144 CarbonylContact C-O 3.6Å; F124-Q144 VanDerWaalsContact CA-O 3.27Å; F124-Q144 WeakPolarHBondContact CA-O 3.35Å; F124-Q144 WeakPolarHBondContact CB-O 3.37Å; Y125-Q144 PolarHBondContact N-O 3.08Å; Y125-Q144 PolarHBondContact O-N 3.02Å; Q144-I156 WeakPolarHBondContact CA-O 3.48Å
145	G	98.7	Very high	98.4	Very high	33 Å²	33	45.3 Å²	45.3	34%	0.34	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	167.1	-136.6	-179.2	0	0	0	0	0	112.7	D123 I156	D123-G145 CarbonylContact O-C 3.4Å; D123-G145 WeakPolarHBondContact O-CA 3.45Å; G145-I156 PolarHBondContact N-O 2.9Å; G145-I156 PolarHBondContact O-N 3.39Å
146	E	98.7	Very high	98.5	Very high	74 Å²	74	42 Å²	42	35%	0.346	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	152.3	-179	65.3	174.1	-150.2	0	0	113.6	T122 D123 K148 I156	T122-E146 WeakPolarHBondContact CA-O 3.35Å; D123-E146 HydrophobicContact CB-CG 4.49Å; D123-E146 PolarHBondContact N-O 3.03Å; D123-E146 PolarHBondContact O-N 3.32Å; E146-K148 WeakPolarHBondContact OE1-CD 3.44Å; E146-I156 VanDerWaalsContact O-CD1 3.3Å; E146-I156 WeakPolarHBondContact O-CD1 3.05Å
147	V	98.7	Very high	98.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.3	159	55.6	0	0	0	0	107.8	F120 S121 T122 A153 E154 I156 R194 L198	F120-V147 HydrophobicContact CD2-CG2 4.27Å; S121-V147 WeakPolarHBondContact O-CA 3.25Å; T122-V147 HydrophobicContact CG2-CB 3.98Å; T122-V147 HydrophobicContact CG2-CG2 3.79Å; V147-A153 CarbonylContact O-C 3.58Å; V147-A153 VanDerWaalsContact O-CA 3.24Å; V147-A153 WeakPolarHBondContact O-CA 3.45Å; V147-E154 HydrophobicContact CG1-CG 3.46Å; V147-E154 VanDerWaalsContact CG1-CG 3.46Å; V147-E154 PolarHBondContact N-O 2.9Å; V147-E154 PolarHBondContact O-N 3.17Å; V147-I156 HydrophobicContact CB-CD1 4.19Å; V147-I156 HydrophobicContact CB-CG1 4.31Å; V147-I156 HydrophobicContact CG1-CG1 4.41Å; V147-R194 HydrophobicContact CG1-CB 4.12Å; V147-L198 HydrophobicContact CB-CD1 4.48Å; V147-L198 HydrophobicContact CG1-CD1 3.96Å; V147-L198 HydrophobicContact CG2-CD1 4.18Å; V147-L198 WeakPolarHBondContact O-CD1 3.41Å
148	K	98.8	Very high	98.5	Very high	85 Å²	85	39.1 Å²	39.1	37%	0.37	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	130.7	-168.6	-179.4	168.6	178.7	174.2	0	112.6	F120 S121 E146 G150 F152 A153	F120-K148 CarbonylContact C-O 3.5Å; F120-K148 VanDerWaalsContact CA-O 3.25Å; F120-K148 WeakPolarHBondContact CA-O 3.29Å; F120-K148 VanDerWaalsContact CB-O 3.23Å; F120-K148 WeakPolarHBondContact CB-O 3.29Å; S121-K148 PolarHBondContact N-O 3.31Å; S121-K148 PolarHBondContact O-N 3.25Å; E146-K148 WeakPolarHBondContact OE1-CD 3.44Å; K148-G150 VanDerWaalsContact CE-O 3.29Å; K148-G150 WeakPolarHBondContact CE-O 3.4Å; K148-F152 CarbonylContact C-O 3.54Å; K148-F152 WeakPolarHBondContact CA-O 3.29Å; K148-A153 HydrophobicContact CB-CB 4.06Å; K148-A153 HydrophobicContact CD-CB 4.37Å; K148-A153 HydrophobicContact CG-CB 4.08Å
149	A	98.6	Very high	98.5	Very high	6 Å²	6	39.1 Å²	39.1	5%	0.05	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	102.9	173.2	0	0	0	0	0	109.2	F120 E151 F152 L198 A199	F120-A149 HydrophobicContact CB-CB 3.74Å; A149-E151 PolarHBondContact O-N 2.68Å; A149-F152 PolarHBondContact N-O 3.35Å; A149-F152 PolarHBondContact O-N 2.92Å; A149-F152 VanDerWaalsContact O-N 3.07Å; A149-L198 HydrophobicContact CB-CB 3.74Å; A149-A199 HydrophobicContact CB-CB 3.83Å
150	G	96.6	Very high	98.5	Very high	65 Å²	65	37.5 Å²	37.5	67%	0.67	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	-119.1	-174.2	0	0	0	0	0	112.1	K148	K148-G150 VanDerWaalsContact CE-O 3.29Å; K148-G150 WeakPolarHBondContact CE-O 3.4Å
151	E	97.4	Very high	98.5	Very high	189 Å²	189	37.5 Å²	37.5	88%	0.883	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-15.7	-179.7	-59.3	-175.5	146.2	0	0	113.5	A149	A149-E151 PolarHBondContact O-N 2.68Å
152	F	98.5	Very high	98.5	Very high	86 Å²	86	39.2 Å²	39.2	38%	0.377	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.1	-177.3	-60.6	-82.4	0	0	0	110.5	K148 A149 L198 G201 N202	K148-F152 CarbonylContact C-O 3.54Å; K148-F152 WeakPolarHBondContact CA-O 3.29Å; A149-F152 PolarHBondContact N-O 3.35Å; A149-F152 PolarHBondContact O-N 2.92Å; A149-F152 VanDerWaalsContact O-N 3.07Å; F152-L198 HydrophobicContact CB-CB 4.12Å; F152-L198 HydrophobicContact CB-CD2 4.08Å; F152-G201 WeakPolarHBondContact CE1-O 3.39Å; F152-N202 HydrophobicContact CB-CB 4.43Å; F152-N202 HydrophobicContact CD1-CB 3.79Å; F152-N202 HydrophobicContact CE1-CB 4.37Å; F152-N202 HydrophobicContact CG-CB 4.23Å
153	A	98.6	Very high	98.5	Very high	48 Å²	48	40.1 Å²	40.1	40%	0.397	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.6	174.2	0	0	0	0	0	110.7	V147 K148	V147-A153 CarbonylContact O-C 3.58Å; V147-A153 VanDerWaalsContact O-CA 3.24Å; V147-A153 WeakPolarHBondContact O-CA 3.45Å; K148-A153 HydrophobicContact CB-CB 4.06Å; K148-A153 HydrophobicContact CD-CB 4.37Å; K148-A153 HydrophobicContact CG-CB 4.08Å
154	E	98.3	Very high	98.5	Very high	15 Å²	15	44.2 Å²	44.2	7%	0.07	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	154.3	166.4	70.3	175.1	-136.9	0	0	111.6	V147 R194 L198 R245	V147-E154 HydrophobicContact CG1-CG 3.46Å; V147-E154 VanDerWaalsContact CG1-CG 3.46Å; V147-E154 PolarHBondContact N-O 2.9Å; V147-E154 PolarHBondContact O-N 3.17Å; E154-R194 WeakPolarHBondContact OE1-CD 3.3Å; E154-R194 VanDerWaalsContact OE1-CG 3.25Å; E154-R194 WeakPolarHBondContact OE1-CG 3.4Å; E154-L198 HydrophobicContact CG-CD1 4.21Å; E154-L198 HydrophobicContact CG-CD2 4.4Å; E154-R245 IonicContact OE1-CZ 3.91Å; E154-R245 IonicContact OE1-NH1 3.15Å; E154-R245 PolarHBondContact OE1-NH1 3.27Å; E154-R245 IonicContact OE1-NH2 3.56Å; E154-R245 PolarHBondContact OE1-NH2 2.87Å; E154-R245 IonicContact OE2-CZ 3.85Å; E154-R245 IonicContact OE2-NH1 3.88Å; E154-R245 PolarHBondContact OE2-NH1 2.91Å; E154-R245 IonicContact OE2-NH2 2.76Å
155	P	98.5	Very high	98.4	Very high	104 Å²	104	44.7 Å²	44.7	68%	0.675	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	143.4	-178.5	-21.1	33.3	0	0	0	113.3
156	I	98.9	Very high	98.4	Very high	4 Å²	4	46 Å²	46	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.5	159.4	-67.3	175.5	0	0	0	106.8	T122 F124 D143 Q144 G145 E146 V147 E158 K191	T122-I156 HydrophobicContact CG2-CD1 4.24Å; F124-I156 HydrophobicContact CB-CD1 4.4Å; F124-I156 HydrophobicContact CB-CG2 4.34Å; F124-I156 HydrophobicContact CD1-CD1 3.81Å; F124-I156 HydrophobicContact CE1-CD1 4.5Å; F124-I156 HydrophobicContact CG-CD1 4.36Å; D143-I156 HydrophobicContact CB-CG2 3.86Å; Q144-I156 WeakPolarHBondContact CA-O 3.48Å; G145-I156 PolarHBondContact N-O 2.9Å; G145-I156 PolarHBondContact O-N 3.39Å; E146-I156 VanDerWaalsContact O-CD1 3.3Å; E146-I156 WeakPolarHBondContact O-CD1 3.05Å; V147-I156 HydrophobicContact CB-CD1 4.19Å; V147-I156 HydrophobicContact CB-CG1 4.31Å; V147-I156 HydrophobicContact CG1-CG1 4.41Å; I156-E158 HydrophobicContact CG2-CG 3.99Å; I156-K191 HydrophobicContact CD1-CD 4.04Å; I156-K191 HydrophobicContact CD1-CG 4.36Å
157	C	98.8	Very high	98.3	Very high	14 Å²	14	45.4 Å²	45.4	10%	0.095	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	88.6	173.7	-174.9	0	0	0	0	106.6	V11 V16 D143	V11-C157 PolarHBondContact N-O 3.43Å; V11-C157 PolarHBondContact O-SG 3.27Å; V16-C157 VanDerWaalsContact CG2-SG 3.56Å; D143-C157 VanDerWaalsContact O-CA 3.32Å; D143-C157 WeakPolarHBondContact O-CA 3.44Å
158	E	98.8	Very high	98.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	157.2	-168.1	62.3	-159.9	-115.4	0	0	112.6	F9 I10 D143 I156 K191 R194	F9-E158 CarbonylContact O-C 3.52Å; F9-E158 WeakPolarHBondContact O-CA 3.43Å; F9-E158 VanDerWaalsContact O-CB 3.23Å; F9-E158 WeakPolarHBondContact O-CB 3.37Å; I10-E158 HydrophobicContact CD1-CB 4.04Å; D143-E158 HydrophobicContact CB-CG 3.94Å; D143-E158 PolarHBondContact N-O 3.38Å; D143-E158 PolarHBondContact O-N 3.12Å; I156-E158 HydrophobicContact CG2-CG 3.99Å; E158-K191 VanDerWaalsContact OE1-CE 3.29Å; E158-K191 WeakPolarHBondContact OE1-CE 3.43Å; E158-K191 WeakPolarHBondContact OE1-CG 3.47Å; E158-K191 IonicContact OE1-NZ 3.25Å; E158-K191 PolarHBondContact OE1-NZ 2.99Å; E158-R194 VanDerWaalsContact CD-NH2 3.26Å; E158-R194 IonicContact OE1-NH2 2.71Å; E158-R194 PolarHBondContact OE1-NH2 3.25Å; E158-R194 VanDerWaalsContact OE1-NH2 3.09Å; E158-R194 IonicContact OE2-CZ 2.8Å; E158-R194 IonicContact OE2-NH1 3.84Å; E158-R194 PolarHBondContact OE2-NH1 3.43Å; E158-R194 IonicContact OE2-NH2 3.64Å; E158-R194 PolarHBondContact OE2-NH2 3.14Å
159	L	98.8	Very high	98.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.2	176.5	-175.5	76.9	0	0	0	108.4	K8 F9 V11 L19 L23 I140 A141 L142 L161 L178 L184	K8-L159 CarbonylContact C-O 3.57Å; K8-L159 WeakPolarHBondContact CA-O 3.37Å; F9-L159 HydrophobicContact CB-CB 4.29Å; F9-L159 HydrophobicContact CD2-CD2 4.44Å; F9-L159 PolarHBondContact N-O 3.12Å; F9-L159 PolarHBondContact O-N 3.36Å; V11-L159 HydrophobicContact CG2-CB 3.88Å; L19-L159 HydrophobicContact CD1-CD2 4.33Å; L19-L159 HydrophobicContact CD2-CB 4.49Å; L19-L159 HydrophobicContact CD2-CD1 4.35Å; L19-L159 HydrophobicContact CD2-CD2 4.36Å; L23-L159 HydrophobicContact CD1-CD1 3.81Å; I140-L159 HydrophobicContact CG2-CD1 3.54Å; I140-L159 HydrophobicContact CG2-CG 4.32Å; A141-L159 CarbonylContact O-C 3.58Å; A141-L159 VanDerWaalsContact O-CA 3.31Å; A141-L159 WeakPolarHBondContact O-CA 3.23Å; L142-L159 HydrophobicContact CB-CD1 4.29Å; L142-L159 HydrophobicContact CD1-CD1 4.47Å; L159-L161 HydrophobicContact CD2-CD2 4.21Å; L159-L161 HydrophobicContact CG-CD2 4.34Å; L159-L178 HydrophobicContact CD2-CD1 3.92Å; L159-L184 HydrophobicContact CD2-CD1 4.47Å; L159-L184 HydrophobicContact CD2-CD2 4.46Å
160	E	98.7	Very high	98.1	Very high	10 Å²	10	50.3 Å²	50.3	5%	0.047	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.7	174.7	-64.6	175.2	171.6	0	0	109.2	K8 R126 I140 A141 K191	K8-E160 HydrophobicContact CG-CG 4.28Å; K8-E160 VanDerWaalsContact NZ-CD 3.27Å; K8-E160 IonicContact NZ-OE1 3.93Å; K8-E160 PolarHBondContact NZ-OE1 3.22Å; R126-E160 IonicContact CZ-OE2 2.8Å; R126-E160 IonicContact NH1-OE2 3.83Å; R126-E160 IonicContact NH2-OE2 3.68Å; R126-E160 PolarHBondContact NH2-OE2 3.36Å; I140-E160 CarbonylContact C-O 3.55Å; I140-E160 WeakPolarHBondContact CA-O 3.46Å; A141-E160 HydrophobicContact CB-CB 4.33Å; A141-E160 PolarHBondContact N-O 3.16Å; A141-E160 PolarHBondContact O-N 3.27Å; E160-K191 IonicContact OE1-NZ 2.67Å; E160-K191 PolarHBondContact OE1-NZ 3.49Å; E160-K191 IonicContact OE2-NZ 3.82Å
161	L	98.8	Very high	98.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	93.6	170.4	-48.2	-179.6	0	0	0	107.9	E6 L7 F9 I138 I140 L159 V171 L174 A175 L178	E6-L161 CarbonylContact C-O 3.56Å; E6-L161 VanDerWaalsContact CA-O 3.3Å; E6-L161 WeakPolarHBondContact CA-O 3.42Å; L7-L161 HydrophobicContact CB-CB 4.31Å; L7-L161 HydrophobicContact CD2-CD1 4.4Å; L7-L161 PolarHBondContact N-O 2.93Å; L7-L161 PolarHBondContact O-N 2.84Å; F9-L161 HydrophobicContact CE2-CD1 3.95Å; F9-L161 HydrophobicContact CE2-CG 4.39Å; I138-L161 HydrophobicContact CG2-CB 4.19Å; I140-L161 HydrophobicContact CB-CD2 4.32Å; I140-L161 HydrophobicContact CG1-CD2 3.96Å; I140-L161 HydrophobicContact CG2-CD2 3.91Å; L159-L161 HydrophobicContact CD2-CD2 4.21Å; L159-L161 HydrophobicContact CG-CD2 4.34Å; L161-V171 HydrophobicContact CB-CG1 3.87Å; L161-V171 HydrophobicContact CD1-CG1 4.37Å; L161-L174 HydrophobicContact CD1-CD2 4.32Å; L161-L174 HydrophobicContact CD1-CG 4.33Å; L161-L174 HydrophobicContact CD2-CD2 4.13Å; L161-A175 HydrophobicContact CD1-CB 4.02Å; L161-L178 HydrophobicContact CD1-CD1 4.05Å; L161-L178 HydrophobicContact CD2-CD1 3.83Å
162	E	98.6	Very high	98.2	Very high	37 Å²	37	38.2 Å²	38.2	17%	0.173	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126	-175.8	-171.9	-179.9	157.9	0	0	111.1	E6 I138 E139 L164	E6-E162 HydrophobicContact CB-CB 4.29Å; E6-E162 HydrophobicContact CB-CG 4.43Å; I138-E162 CarbonylContact C-O 3.54Å; I138-E162 VanDerWaalsContact CA-O 3.25Å; I138-E162 WeakPolarHBondContact CA-O 3.24Å; I138-E162 WeakPolarHBondContact CG2-O 3.4Å; E139-E162 HydrophobicContact CB-CB 4.43Å; E139-E162 PolarHBondContact N-O 3.33Å; E139-E162 PolarHBondContact O-N 2.9Å; E162-L164 HydrophobicContact CG-CD2 4.45Å; E162-L164 PolarHBondContact O-N 2.57Å
163	L	98.5	Very high	98.1	Very high	20 Å²	20	39 Å²	39	11%	0.105	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	101.4	176.3	-176.8	67.3	0	0	0	110.1	I5 I138 S165 V171	I5-L163 HydrophobicContact CB-CB 4.24Å; I5-L163 HydrophobicContact CD1-CD2 4.41Å; I5-L163 HydrophobicContact CG2-CB 4.4Å; I5-L163 HydrophobicContact CG2-CD2 4.47Å; I5-L163 PolarHBondContact O-N 3.39Å; I138-L163 HydrophobicContact CG1-CD1 4.26Å; L163-S165 WeakPolarHBondContact CD1-O 3.2Å; L163-V171 HydrophobicContact CB-CG2 3.8Å; L163-V171 HydrophobicContact CD1-CG2 4.04Å; L163-V171 HydrophobicContact CG-CG2 4.37Å
164	L	97.8	Very high	98.1	Very high	86 Å²	86	37.1 Å²	37.1	45%	0.45	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-38.7	176.1	-56.6	-176.9	0	0	0	111.7	L130 Q137 E139 E162	L130-L164 HydrophobicContact CD1-CD1 3.61Å; Q137-L164 HydrophobicContact CB-CB 4.18Å; Q137-L164 PolarHBondContact O-N 2.84Å; E139-L164 HydrophobicContact CB-CD1 4.19Å; E139-L164 HydrophobicContact CB-CD2 4.12Å; E139-L164 HydrophobicContact CB-CG 4.19Å; E162-L164 HydrophobicContact CG-CD2 4.45Å; E162-L164 PolarHBondContact O-N 2.57Å
165	S	97.7	Very high	98.1	Very high	63 Å²	63	36.4 Å²	36.4	44%	0.441	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	150.7	173.7	59.1	0	0	0	0	111.1	S136 Q137 L163	S136-S165 CarbonylContact C-O 3.52Å; S136-S165 VanDerWaalsContact CA-O 3.27Å; S136-S165 WeakPolarHBondContact CA-O 3.34Å; S136-S165 WeakPolarHBondContact CB-O 3.35Å; Q137-S165 PolarHBondContact N-O 3.41Å; Q137-S165 PolarHBondContact O-N 3.32Å; L163-S165 WeakPolarHBondContact CD1-O 3.2Å
166	G	97.4	Very high	98.1	Very high	59 Å²	59	34.5 Å²	34.5	61%	0.608	19%	0.187	S	C	*	.	S	Bend	trans	115.2	-139.4	176.5	0	0	0	0	0	113.2	S136	S136-G166 WeakPolarHBondContact OG-CA 3.19Å
167	D	96.6	Very high	98	Very high	63 Å²	63	38.8 Å²	38.8	34%	0.337	21%	0.207	S	C	.	.			trans	-117.4	134.6	-170.1	-168	-57.2	0	0	0	111.6	S136 R169 A170	S136-D167 PolarHBondContact OG-N 3.38Å; D167-R169 PolarHBondContact O-N 3.33Å; D167-R169 VanDerWaalsContact OD1-CB 3.23Å; D167-R169 WeakPolarHBondContact OD1-CB 3.45Å; D167-R169 VanDerWaalsContact OD1-CG 3.26Å; D167-R169 WeakPolarHBondContact OD1-CG 3.26Å; D167-R169 IonicContact OD1-CZ 2.93Å; D167-R169 PolarHBondContact OD1-N 2.89Å; D167-R169 IonicContact OD1-NE 3.6Å; D167-R169 PolarHBondContact OD1-NE 2.78Å; D167-R169 IonicContact OD2-CZ 3.87Å; D167-R169 VanDerWaalsContact OD2-CZ 3.31Å; D167-R169 IonicContact OD2-NE 3.07Å; D167-R169 PolarHBondContact OD2-NE 3.49Å; D167-R169 VanDerWaalsContact OD2-NE 3.14Å; D167-R169 IonicContact OD2-NH2 3.05Å; D167-R169 PolarHBondContact OD2-NH2 2.85Å; D167-A170 VanDerWaalsContact O-CB 3.27Å; D167-A170 WeakPolarHBondContact O-CB 3.3Å; D167-A170 PolarHBondContact O-N 3.03Å
168	T	96.9	Very high	98	Very high	26 Å²	26	38.1 Å²	38.1	16%	0.16	20%	0.202	C	C	.	.	H	α-helix	trans	-54.1	-27.8	177.4	-52.4	0	0	0	0	113.1	I5 L78 A170 V171 L172 V318	I5-T168 HydrophobicContact CG2-CG2 4.32Å; L78-T168 HydrophobicContact CD1-CG2 4.17Å; L78-T168 HydrophobicContact CD2-CG2 3.85Å; T168-A170 PolarHBondContact O-N 3.36Å; T168-V171 WeakPolarHBondContact O-CB 3.49Å; T168-V171 PolarHBondContact O-N 3.47Å; T168-V171 VanDerWaalsContact O-N 3.12Å; T168-L172 PolarHBondContact O-N 2.97Å; T168-L172 VanDerWaalsContact O-N 3.16Å; T168-V318 HydrophobicContact CG2-CG1 4.06Å
169	R	97	Very high	98	Very high	163 Å²	163	38.2 Å²	38.2	62%	0.615	20%	0.202	S	C	*	.	H	α-helix	trans	-60.1	-30.5	174.1	-68.2	176.7	-69.9	-176.4	2.6	112.8	D167 L172 K173	D167-R169 PolarHBondContact O-N 3.33Å; D167-R169 VanDerWaalsContact OD1-CB 3.23Å; D167-R169 WeakPolarHBondContact OD1-CB 3.45Å; D167-R169 VanDerWaalsContact OD1-CG 3.26Å; D167-R169 WeakPolarHBondContact OD1-CG 3.26Å; D167-R169 IonicContact OD1-CZ 2.93Å; D167-R169 PolarHBondContact OD1-N 2.89Å; D167-R169 IonicContact OD1-NE 3.6Å; D167-R169 PolarHBondContact OD1-NE 2.78Å; D167-R169 IonicContact OD2-CZ 3.87Å; D167-R169 VanDerWaalsContact OD2-CZ 3.31Å; D167-R169 IonicContact OD2-NE 3.07Å; D167-R169 PolarHBondContact OD2-NE 3.49Å; D167-R169 VanDerWaalsContact OD2-NE 3.14Å; D167-R169 IonicContact OD2-NH2 3.05Å; D167-R169 PolarHBondContact OD2-NH2 2.85Å; R169-L172 PolarHBondContact O-N 3.22Å; R169-K173 WeakPolarHBondContact O-CB 3.44Å; R169-K173 PolarHBondContact O-N 2.99Å
170	A	98.1	Very high	97.8	Very high	4 Å²	4	41.9 Å²	41.9	3%	0.033	23%	0.228	C	C	.	.	H	α-helix	trans	-67	-38.2	175.8	0	0	0	0	0	111.7	V133 S136 I138 D167 T168 K173 L174	V133-A170 HydrophobicContact CB-CB 4.12Å; V133-A170 HydrophobicContact CG1-CB 4Å; S136-A170 WeakPolarHBondContact OG-CB 3.34Å; I138-A170 HydrophobicContact CD1-CB 4.14Å; D167-A170 VanDerWaalsContact O-CB 3.27Å; D167-A170 WeakPolarHBondContact O-CB 3.3Å; D167-A170 PolarHBondContact O-N 3.03Å; T168-A170 PolarHBondContact O-N 3.36Å; A170-K173 PolarHBondContact O-N 3.47Å; A170-L174 PolarHBondContact O-N 2.96Å
171	V	98.5	Very high	97.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-46.3	173.6	-178.6	0	0	0	0	110.8	L7 I138 L161 L163 T168 K173 L174 A175	L7-V171 HydrophobicContact CB-CG1 3.59Å; L7-V171 HydrophobicContact CD2-CG1 4.17Å; I138-V171 HydrophobicContact CD1-CG2 4.08Å; I138-V171 HydrophobicContact CG1-CG2 4.25Å; L161-V171 HydrophobicContact CB-CG1 3.87Å; L161-V171 HydrophobicContact CD1-CG1 4.37Å; L163-V171 HydrophobicContact CB-CG2 3.8Å; L163-V171 HydrophobicContact CD1-CG2 4.04Å; L163-V171 HydrophobicContact CG-CG2 4.37Å; T168-V171 WeakPolarHBondContact O-CB 3.49Å; T168-V171 PolarHBondContact O-N 3.47Å; T168-V171 VanDerWaalsContact O-N 3.12Å; V171-K173 VanDerWaalsContact C-N 3.34Å; V171-K173 PolarHBondContact O-N 3.3Å; V171-L174 PolarHBondContact O-N 2.68Å; V171-A175 WeakPolarHBondContact O-CB 3.35Å; V171-A175 PolarHBondContact O-N 3.08Å
172	L	98	Very high	97.6	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-65.3	-37	178.1	-64.7	168.1	0	0	0	112	L7 T168 R169 A175 N176 L311 T314 E315 V318	L7-L172 HydrophobicContact CD2-CD2 4.35Å; T168-L172 PolarHBondContact O-N 2.97Å; T168-L172 VanDerWaalsContact O-N 3.16Å; R169-L172 PolarHBondContact O-N 3.22Å; L172-A175 PolarHBondContact O-N 2.89Å; L172-N176 PolarHBondContact O-N 3.34Å; L172-N176 PolarHBondContact O-ND2 2.94Å; L172-L311 HydrophobicContact CD2-CD1 4.15Å; L172-T314 HydrophobicContact CD2-CG2 4.36Å; L172-E315 HydrophobicContact CD1-CB 4.23Å; L172-E315 HydrophobicContact CD1-CG 4.15Å; L172-E315 HydrophobicContact CD2-CB 4.41Å; L172-V318 HydrophobicContact CD1-CB 4.39Å; L172-V318 HydrophobicContact CD1-CG1 4.23Å
173	K	97.9	Very high	97.6	Very high	103 Å²	103	46.5 Å²	46.5	45%	0.448	26%	0.257	S	S	.	.	H	α-helix	trans	-63.4	-46	174.3	-179.7	177.2	174.6	179.7	0	111.8	V133 D134 R169 A170 V171 A175 N176 Q177	V133-K173 HydrophobicContact CG1-CD 4.01Å; V133-K173 HydrophobicContact CG1-CG 4.44Å; D134-K173 IonicContact OD1-NZ 2.68Å; D134-K173 PolarHBondContact OD1-NZ 2.58Å; D134-K173 WeakPolarHBondContact OD2-CD 3.34Å; D134-K173 IonicContact OD2-NZ 2.8Å; D134-K173 PolarHBondContact OD2-NZ 3.35Å; R169-K173 WeakPolarHBondContact O-CB 3.44Å; R169-K173 PolarHBondContact O-N 2.99Å; A170-K173 PolarHBondContact O-N 3.47Å; V171-K173 VanDerWaalsContact C-N 3.34Å; V171-K173 PolarHBondContact O-N 3.3Å; K173-A175 VanDerWaalsContact C-N 3.34Å; K173-N176 WeakPolarHBondContact O-CB 3.26Å; K173-N176 PolarHBondContact O-N 3.37Å; K173-Q177 PolarHBondContact O-N 3.21Å
174	L	98.2	Very high	97.6	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.037	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-43.8	175	178.7	60.9	0	0	0	111.2	L26 V131 I138 I140 L161 A170 V171 N176 Q177 L178	L26-L174 HydrophobicContact CD1-CD1 4.29Å; V131-L174 HydrophobicContact CG2-CD2 3.89Å; I138-L174 HydrophobicContact CB-CD2 4.45Å; I138-L174 HydrophobicContact CD1-CB 4.41Å; I138-L174 HydrophobicContact CD1-CD2 4.11Å; I138-L174 HydrophobicContact CG2-CD2 3.93Å; I140-L174 HydrophobicContact CD1-CD2 3.91Å; I140-L174 HydrophobicContact CG1-CD2 4.07Å; L161-L174 HydrophobicContact CD1-CD2 4.32Å; L161-L174 HydrophobicContact CD1-CG 4.33Å; L161-L174 HydrophobicContact CD2-CD2 4.13Å; A170-L174 PolarHBondContact O-N 2.96Å; V171-L174 PolarHBondContact O-N 2.68Å; L174-N176 VanDerWaalsContact C-N 3.28Å; L174-N176 PolarHBondContact O-N 3.14Å; L174-Q177 WeakPolarHBondContact O-CB 3.22Å; L174-Q177 PolarHBondContact O-N 3.03Å; L174-Q177 VanDerWaalsContact O-N 3.09Å; L174-L178 HydrophobicContact CG-CD1 4.29Å; L174-L178 PolarHBondContact O-N 2.89Å
175	A	98.5	Very high	97.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.1	-38.9	176.2	0	0	0	0	0	113.1	L7 F9 L161 V171 L172 K173 Q177 L178 V179 L311	L7-A175 HydrophobicContact CD2-CB 3.51Å; F9-A175 HydrophobicContact CE2-CB 4.21Å; F9-A175 HydrophobicContact CZ-CB 3.88Å; L161-A175 HydrophobicContact CD1-CB 4.02Å; V171-A175 WeakPolarHBondContact O-CB 3.35Å; V171-A175 PolarHBondContact O-N 3.08Å; L172-A175 PolarHBondContact O-N 2.89Å; K173-A175 VanDerWaalsContact C-N 3.34Å; A175-Q177 PolarHBondContact O-N 3.31Å; A175-L178 PolarHBondContact O-N 3.49Å; A175-V179 WeakPolarHBondContact O-CG2 3.45Å; A175-V179 PolarHBondContact O-N 2.98Å; A175-L311 VanDerWaalsContact C-CD2 3.49Å; A175-L311 HydrophobicContact CB-CD1 3.86Å; A175-L311 HydrophobicContact CB-CD2 3.81Å
176	N	97.7	Very high	97.6	Very high	65 Å²	65	39.4 Å²	39.4	35%	0.348	21%	0.213	S	C	.	.	H	α-helix	trans	-59.9	-35.7	176.8	-88.1	-73	0	0	0	112	L172 K173 L174 L311 E315	L172-N176 PolarHBondContact O-N 3.34Å; L172-N176 PolarHBondContact O-ND2 2.94Å; K173-N176 WeakPolarHBondContact O-CB 3.26Å; K173-N176 PolarHBondContact O-N 3.37Å; L174-N176 VanDerWaalsContact C-N 3.28Å; L174-N176 PolarHBondContact O-N 3.14Å; N176-L311 HydrophobicContact CB-CD2 4.17Å; N176-E315 PolarHBondContact ND2-OE2 2.91Å
177	Q	97.3	Very high	97.7	Very high	94 Å²	94	36.6 Å²	36.6	44%	0.439	18%	0.184	S	C	.	.	H	α-helix	trans	-68.8	-38.3	173.7	-177.7	179.4	-15.2	0	0	111.9	K173 L174 A175 S180	K173-Q177 PolarHBondContact O-N 3.21Å; L174-Q177 WeakPolarHBondContact O-CB 3.22Å; L174-Q177 PolarHBondContact O-N 3.03Å; L174-Q177 VanDerWaalsContact O-N 3.09Å; A175-Q177 PolarHBondContact O-N 3.31Å; Q177-S180 PolarHBondContact O-OG 3.4Å
178	L	98.2	Very high	97.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-76.5	-33.3	-174.9	-62.9	175.9	0	0	0	113.4	L23 L159 L161 L174 A175 S180 Q181 L184	L23-L178 HydrophobicContact CD2-CD2 3.79Å; L159-L178 HydrophobicContact CD2-CD1 3.92Å; L161-L178 HydrophobicContact CD1-CD1 4.05Å; L161-L178 HydrophobicContact CD2-CD1 3.83Å; L174-L178 HydrophobicContact CG-CD1 4.29Å; L174-L178 PolarHBondContact O-N 2.89Å; A175-L178 PolarHBondContact O-N 3.49Å; L178-S180 PolarHBondContact O-N 3.36Å; L178-Q181 WeakPolarHBondContact O-CG 3.23Å; L178-L184 HydrophobicContact CB-CD1 3.88Å
179	V	97.9	Very high	97.7	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	0.8	-179.9	-60.2	0	0	0	0	114	F9 A175 Q181 A307 M308 L311	F9-V179 HydrophobicContact CE1-CG1 3.81Å; F9-V179 HydrophobicContact CZ-CG1 4.2Å; A175-V179 WeakPolarHBondContact O-CG2 3.45Å; A175-V179 PolarHBondContact O-N 2.98Å; V179-Q181 PolarHBondContact O-N 3.18Å; V179-A307 HydrophobicContact CB-CB 3.94Å; V179-A307 HydrophobicContact CG1-CB 4.11Å; V179-M308 HydrophobicContact CG2-CG 4.09Å; V179-L311 HydrophobicContact CG1-CD2 4.21Å; V179-L311 HydrophobicContact CG2-CD2 3.63Å
180	S	95	Very high	97.7	Very high	78 Å²	78	28.6 Å²	28.6	55%	0.545	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.1	173.6	72.4	0	0	0	0	113.1	Q177 L178	Q177-S180 PolarHBondContact O-OG 3.4Å; L178-S180 PolarHBondContact O-N 3.36Å
181	Q	95.3	Very high	97.7	Very high	51 Å²	51	29 Å²	29	24%	0.238	16%	0.157	C	C	.	.	S	Bend	trans	-111.1	156.8	170.4	63.8	-175.4	11	0	0	110.6	H22 L178 V179	H22-Q181 VanDerWaalsContact ND1-CD 3.33Å; H22-Q181 PolarHBondContact ND1-NE2 2.61Å; H22-Q181 VanDerWaalsContact ND1-NE2 3.15Å; H22-Q181 PolarHBondContact ND1-OE1 2.92Å; L178-Q181 WeakPolarHBondContact O-CG 3.23Å; V179-Q181 PolarHBondContact O-N 3.18Å
182	T	97.9	Very high	97.7	Very high	92 Å²	92	29.7 Å²	29.7	56%	0.564	16%	0.162	S	C	*	.	S	Bend	trans	-73.9	167.7	178.7	61.7	0	0	0	0	111.6	Y302	T182-Y302 WeakPolarHBondContact CA-O 3.32Å; T182-Y302 WeakPolarHBondContact CB-O 3.34Å
183	G	98.3	Very high	97.6	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.01	17%	0.168	C	C	.	.	S	Bend	trans	99	-0.5	172.3	0	0	0	0	0	115.2	V11 N12 Y302	V11-G183 CarbonylContact C-O 3.5Å; V11-G183 WeakPolarHBondContact CA-O 3.3Å; N12-G183 PolarHBondContact N-O 3.44Å; G183-Y302 PolarHBondContact N-O 3.23Å; G183-Y302 VanDerWaalsContact O-CD1 3.31Å; G183-Y302 WeakPolarHBondContact O-CD1 3.42Å; G183-Y302 WeakPolarHBondContact O-CE1 3.36Å
184	L	98.8	Very high	97.7	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.016	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136	173	-59.1	-177.9	0	0	0	111	F9 V11 L19 L159 L178	F9-L184 HydrophobicContact CB-CB 4.36Å; F9-L184 HydrophobicContact CB-CD2 4.22Å; F9-L184 HydrophobicContact CD1-CB 3.98Å; F9-L184 HydrophobicContact CG-CB 4.37Å; V11-L184 HydrophobicContact CB-CD2 4.47Å; V11-L184 HydrophobicContact CG1-CD2 4.47Å; V11-L184 HydrophobicContact CG2-CD2 3.77Å; L19-L184 HydrophobicContact CD1-CD1 4.36Å; L19-L184 HydrophobicContact CD1-CD2 4.29Å; L19-L184 HydrophobicContact CD2-CD2 3.9Å; L159-L184 HydrophobicContact CD2-CD1 4.47Å; L159-L184 HydrophobicContact CD2-CD2 4.46Å; L178-L184 HydrophobicContact CB-CD1 3.88Å
185	R	98.6	Very high	97.7	Very high	11 Å²	11	25.5 Å²	25.5	4%	0.042	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	143.9	166.8	71.6	-177.2	-178.2	82.3	-6.8	109.5	F9 I10 G187 E241 V301 Y302	F9-R185 CarbonylContact C-O 3.54Å; F9-R185 WeakPolarHBondContact CA-O 3.35Å; I10-R185 HydrophobicContact CB-CG 3.96Å; I10-R185 PolarHBondContact N-O 3.35Å; I10-R185 PolarHBondContact O-N 3.02Å; I10-R185 VanDerWaalsContact O-N 3.1Å; R185-G187 PolarHBondContact O-N 3.43Å; R185-E241 IonicContact CZ-OE2 2.78Å; R185-E241 IonicContact NH1-OE2 2.74Å; R185-E241 PolarHBondContact NH1-OE2 3.49Å; R185-E241 VanDerWaalsContact NH2-CD 3.27Å; R185-E241 IonicContact NH2-OE1 2.67Å; R185-E241 PolarHBondContact NH2-OE1 3.4Å; R185-E241 VanDerWaalsContact NH2-OE1 3.11Å; R185-E241 IonicContact NH2-OE2 2.81Å; R185-E241 PolarHBondContact NH2-OE2 2.84Å; R185-V301 HydrophobicContact CB-CG1 4.07Å; R185-V301 VanDerWaalsContact CD-CG1 3.41Å; R185-V301 HydrophobicContact CG-CG1 4.36Å; R185-Y302 HydrophobicContact CB-CD1 4.08Å; R185-Y302 HydrophobicContact CB-CE1 3.98Å; R185-Y302 HydrophobicContact CG-CD1 4.16Å; R185-Y302 HydrophobicContact CG-CE1 3.56Å; R185-Y302 PolarHBondContact NE-OH 2.98Å; R185-Y302 VanDerWaalsContact NE-OH 3.15Å
186	Q	98.7	Very high	97.7	Very high	5 Å²	5	26 Å²	26	2%	0.023	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	131.2	177.4	-75.2	178.3	55	0	0	111	L7 K8 F9 Q237 K310 L311 T314	L7-Q186 HydrophobicContact CD1-CG 4.41Å; K8-Q186 WeakPolarHBondContact O-CA 3.42Å; F9-Q186 HydrophobicContact CD1-CG 4.11Å; F9-Q186 HydrophobicContact CE1-CG 3.71Å; F9-Q186 HydrophobicContact CZ-CG 4.39Å; Q186-Q237 PolarHBondContact O-NE2 2.78Å; Q186-Q237 PolarHBondContact O-OE1 3.36Å; Q186-K310 HydrophobicContact CB-CG 4.33Å; Q186-K310 HydrophobicContact CG-CG 4.35Å; Q186-K310 VanDerWaalsContact NE2-C 3.29Å; Q186-K310 VanDerWaalsContact NE2-CG 3.31Å; Q186-K310 PolarHBondContact NE2-O 3.29Å; Q186-L311 VanDerWaalsContact NE2-N 3.18Å; Q186-T314 PolarHBondContact NE2-OG1 2.98Å; Q186-T314 PolarHBondContact OE1-OG1 3.37Å
187	G	98.1	Very high	97.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.			trans	-107.7	119.4	-179.3	0	0	0	0	0	112.3	K8 H79 R185	K8-G187 PolarHBondContact O-N 3.4Å; H79-G187 PolarHBondContact NE2-O 2.99Å; R185-G187 PolarHBondContact O-N 3.43Å
188	S	97.1	Very high	97.8	Very high	33 Å²	33	20 Å²	20	23%	0.231	12%	0.118	C	C	.	.			trans	-89.4	-14.6	177.4	-50.8	0	0	0	0	113.6	G76 H79 Q237	G76-S188 PolarHBondContact O-OG 3.05Å; H79-S188 PolarHBondContact CE1-O 3.17Å; S188-Q237 VanDerWaalsContact OG-CB 3.25Å; S188-Q237 WeakPolarHBondContact OG-CB 3.31Å; S188-Q237 VanDerWaalsContact OG-CG 3.3Å; S188-Q237 WeakPolarHBondContact OG-CG 3.27Å; S188-Q237 PolarHBondContact OG-NE2 3.03Å
189	L	97	Very high	97.8	Very high	41 Å²	41	21.5 Å²	21.5	22%	0.215	13%	0.131	C	C	.	.			trans	-91.8	105.9	-177.8	-60.7	-175.6	0	0	0	110.3	R194 E241	L189-R194 HydrophobicContact CB-CG 4.18Å; L189-R194 HydrophobicContact CD1-CG 4.47Å; L189-R194 PolarHBondContact O-NE 3.31Å; L189-R194 PolarHBondContact O-NH2 3.17Å; L189-E241 HydrophobicContact CD1-CG 3.83Å
190	S	96.9	Very high	97.8	Very high	11 Å²	11	26.5 Å²	26.5	8%	0.077	15%	0.154	C	C	.	.			trans	-58.3	155.2	169.4	61.7	0	0	0	0	111.5	R81 A192 A193 R194	R81-S190 VanDerWaalsContact NH1-CB 3.26Å; R81-S190 PolarHBondContact NH1-OG 3.32Å; R81-S190 PolarHBondContact NH2-OG 3.37Å; S190-A192 PolarHBondContact O-N 3.14Å; S190-A193 WeakPolarHBondContact O-CB 3.32Å; S190-A193 PolarHBondContact O-N 3.46Å; S190-A193 PolarHBondContact OG-N 2.87Å; S190-R194 PolarHBondContact O-N 3.26Å; S190-R194 VanDerWaalsContact O-N 3.12Å
191	K	98	Very high	97.9	Very high	13 Å²	13	24.3 Å²	24.3	6%	0.057	14%	0.144	C	C	.	.	H	α-helix	trans	-51.4	-41.6	175.6	-61.9	178.6	175.1	70.8	0	111.8	T122 F124 D143 I156 E158 E160 R194 G195	T122-K191 HydrophobicContact CG2-CB 4.13Å; F124-K191 HydrophobicContact CE1-CD 3.95Å; F124-K191 HydrophobicContact CZ-CD 4.25Å; D143-K191 VanDerWaalsContact OD2-CE 3.25Å; D143-K191 WeakPolarHBondContact OD2-CE 3.15Å; D143-K191 IonicContact OD2-NZ 3.61Å; D143-K191 PolarHBondContact OD2-NZ 3.38Å; I156-K191 HydrophobicContact CD1-CD 4.04Å; I156-K191 HydrophobicContact CD1-CG 4.36Å; E158-K191 VanDerWaalsContact OE1-CE 3.29Å; E158-K191 WeakPolarHBondContact OE1-CE 3.43Å; E158-K191 WeakPolarHBondContact OE1-CG 3.47Å; E158-K191 IonicContact OE1-NZ 3.25Å; E158-K191 PolarHBondContact OE1-NZ 2.99Å; E160-K191 IonicContact OE1-NZ 2.67Å; E160-K191 PolarHBondContact OE1-NZ 3.49Å; E160-K191 IonicContact OE2-NZ 3.82Å; K191-R194 PolarHBondContact O-N 3.24Å; K191-G195 PolarHBondContact O-N 3.38Å
192	A	97.6	Very high	98.1	Very high	13 Å²	13	24.9 Å²	24.9	11%	0.107	15%	0.149	C	C	.	.	H	α-helix	trans	-59.7	-46.4	174.9	0	0	0	0	0	113	Y40 F120 S190 R194 G195 Y196	Y40-A192 HydrophobicContact CD1-CB 4.19Å; Y40-A192 HydrophobicContact CE1-CB 3.74Å; F120-A192 HydrophobicContact CZ-CB 4.14Å; F120-A192 WeakPolarHBondContact CZ-O 3.4Å; S190-A192 PolarHBondContact O-N 3.14Å; A192-R194 VanDerWaalsContact C-N 3.28Å; A192-R194 PolarHBondContact O-N 3.47Å; A192-G195 PolarHBondContact O-N 2.7Å; A192-G195 VanDerWaalsContact O-N 3.14Å; A192-Y196 HydrophobicContact CB-CD2 4.49Å; A192-Y196 HydrophobicContact CB-CE2 4.41Å; A192-Y196 WeakPolarHBondContact O-CD2 3.35Å; A192-Y196 PolarHBondContact O-N 3.17Å
193	A	97.5	Very high	98.1	Very high	16 Å²	16	23.5 Å²	23.5	13%	0.132	14%	0.142	C	C	.	.	H	α-helix	trans	-61.5	-35.1	178.1	0	0	0	0	0	112.7	S190 H197	S190-A193 WeakPolarHBondContact O-CB 3.32Å; S190-A193 PolarHBondContact O-N 3.46Å; S190-A193 PolarHBondContact OG-N 2.87Å; A193-H197 PolarHBondContact O-N 3.2Å
194	R	98.5	Very high	98	Very high	7 Å²	7	28.1 Å²	28.1	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-67.7	-46.4	171.7	-76.2	175.7	-87.7	162.2	-2.1	111.6	V147 E154 E158 L189 S190 K191 A192 Y196 H197 L198	V147-R194 HydrophobicContact CG1-CB 4.12Å; E154-R194 WeakPolarHBondContact OE1-CD 3.3Å; E154-R194 VanDerWaalsContact OE1-CG 3.25Å; E154-R194 WeakPolarHBondContact OE1-CG 3.4Å; E158-R194 VanDerWaalsContact CD-NH2 3.26Å; E158-R194 IonicContact OE1-NH2 2.71Å; E158-R194 PolarHBondContact OE1-NH2 3.25Å; E158-R194 VanDerWaalsContact OE1-NH2 3.09Å; E158-R194 IonicContact OE2-CZ 2.8Å; E158-R194 IonicContact OE2-NH1 3.84Å; E158-R194 PolarHBondContact OE2-NH1 3.43Å; E158-R194 IonicContact OE2-NH2 3.64Å; E158-R194 PolarHBondContact OE2-NH2 3.14Å; L189-R194 HydrophobicContact CB-CG 4.18Å; L189-R194 HydrophobicContact CD1-CG 4.47Å; L189-R194 PolarHBondContact O-NE 3.31Å; L189-R194 PolarHBondContact O-NH2 3.17Å; S190-R194 PolarHBondContact O-N 3.26Å; S190-R194 VanDerWaalsContact O-N 3.12Å; K191-R194 PolarHBondContact O-N 3.24Å; A192-R194 VanDerWaalsContact C-N 3.28Å; A192-R194 PolarHBondContact O-N 3.47Å; R194-Y196 PolarHBondContact O-N 3.03Å; R194-H197 WeakPolarHBondContact O-CB 3.25Å; R194-H197 PolarHBondContact O-N 3.34Å; R194-H197 VanDerWaalsContact O-N 3.1Å; R194-L198 WeakPolarHBondContact O-CG 3.36Å; R194-L198 PolarHBondContact O-N 3.29Å
195	G	98.6	Very high	98	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.6	-45.1	176.7	0	0	0	0	0	113.5	K191 A192 H197 L198 A199	K191-G195 PolarHBondContact O-N 3.38Å; A192-G195 PolarHBondContact O-N 2.7Å; A192-G195 VanDerWaalsContact O-N 3.14Å; G195-H197 VanDerWaalsContact C-N 3.29Å; G195-H197 PolarHBondContact O-N 2.59Å; G195-L198 PolarHBondContact O-N 3.38Å; G195-A199 WeakPolarHBondContact O-CB 3.34Å; G195-A199 PolarHBondContact O-N 3.4Å
196	Y	98.5	Very high	98	Very high	10 Å²	10	37 Å²	37	4%	0.039	22%	0.22	C	C	.	.	H	α-helix	trans	-57.4	-41.6	172.5	-79.5	-60.8	0	0	0	112.6	E42 R49 M53 L119 F120 A192 R194 A199 Q200	E42-Y196 HydrophobicContact CB-CE1 4.07Å; E42-Y196 HydrophobicContact CG-CE1 3.77Å; E42-Y196 WeakPolarHBondContact OE2-CE1 3.43Å; E42-Y196 VanDerWaalsContact OE2-CZ 3.24Å; E42-Y196 PolarHBondContact OE2-OH 3.5Å; R49-Y196 HydrophobicContact CB-CD1 4Å; R49-Y196 HydrophobicContact CB-CD2 4.47Å; R49-Y196 HydrophobicContact CB-CE1 3.74Å; R49-Y196 HydrophobicContact CB-CE2 4.22Å; R49-Y196 HydrophobicContact CB-CG 4.36Å; R49-Y196 HydrophobicContact CG-CD1 4.18Å; R49-Y196 HydrophobicContact CG-CD2 4.36Å; R49-Y196 HydrophobicContact CG-CE1 4.41Å; R49-Y196 HydrophobicContact CG-CG 4.15Å; M53-Y196 PolarHBondContact O-OH 3.32Å; L119-Y196 HydrophobicContact CD2-CD1 3.66Å; L119-Y196 HydrophobicContact CD2-CE1 3.73Å; F120-Y196 AromaticContact CE1-CD1 3.99Å; F120-Y196 HydrophobicContact CE1-CD1 3.99Å; F120-Y196 HydrophobicContact CE1-CD2 4.13Å; F120-Y196 HydrophobicContact CE1-CE1 4.07Å; F120-Y196 HydrophobicContact CE1-CE2 4.23Å; F120-Y196 HydrophobicContact CE1-CG 4.01Å; F120-Y196 HydrophobicContact CZ-CD2 4.34Å; F120-Y196 HydrophobicContact CZ-CE2 4.4Å; A192-Y196 HydrophobicContact CB-CD2 4.49Å; A192-Y196 HydrophobicContact CB-CE2 4.41Å; A192-Y196 WeakPolarHBondContact O-CD2 3.35Å; A192-Y196 PolarHBondContact O-N 3.17Å; R194-Y196 PolarHBondContact O-N 3.03Å; Y196-A199 PolarHBondContact O-N 3.22Å; Y196-Q200 WeakPolarHBondContact O-CG 3.49Å; Y196-Q200 PolarHBondContact O-N 3.2Å
197	H	98.3	Very high	98	Very high	34 Å²	34	39.3 Å²	39.3	16%	0.157	23%	0.231	C	C	.	.	H	α-helix	trans	-67.7	-42	178.6	-170.4	91.5	0	0	0	112.4	A193 R194 G195 A199 Q200 N202 P203 R205	A193-H197 PolarHBondContact O-N 3.2Å; R194-H197 WeakPolarHBondContact O-CB 3.25Å; R194-H197 PolarHBondContact O-N 3.34Å; R194-H197 VanDerWaalsContact O-N 3.1Å; G195-H197 VanDerWaalsContact C-N 3.29Å; G195-H197 PolarHBondContact O-N 2.59Å; H197-A199 VanDerWaalsContact C-N 3.3Å; H197-A199 PolarHBondContact O-N 3.02Å; H197-Q200 PolarHBondContact O-N 3.1Å; H197-N202 PolarHBondContact CD2-OD1 2.77Å; H197-N202 VanDerWaalsContact CD2-OD1 3.29Å; H197-N202 PolarHBondContact O-N 2.9Å; H197-P203 PolarHBondContact CE1-O 3.1Å; H197-P203 PolarHBondContact NE2-O 2.98Å; H197-R205 VanDerWaalsContact CB-NH2 3.31Å; H197-R205 PolarHBondContact CD2-NH2 3.49Å; H197-R205 VanDerWaalsContact CG-CZ 3.49Å; H197-R205 PolarHBondContact ND1-NH2 3.41Å
198	L	98.7	Very high	98	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.1	-40.6	174.4	-66.9	178.5	0	0	0	111.5	V147 A149 F152 E154 R194 G195 Q200 G201 N202	V147-L198 HydrophobicContact CB-CD1 4.48Å; V147-L198 HydrophobicContact CG1-CD1 3.96Å; V147-L198 HydrophobicContact CG2-CD1 4.18Å; V147-L198 WeakPolarHBondContact O-CD1 3.41Å; A149-L198 HydrophobicContact CB-CB 3.74Å; F152-L198 HydrophobicContact CB-CB 4.12Å; F152-L198 HydrophobicContact CB-CD2 4.08Å; E154-L198 HydrophobicContact CG-CD1 4.21Å; E154-L198 HydrophobicContact CG-CD2 4.4Å; R194-L198 WeakPolarHBondContact O-CG 3.36Å; R194-L198 PolarHBondContact O-N 3.29Å; G195-L198 PolarHBondContact O-N 3.38Å; L198-Q200 PolarHBondContact O-N 2.86Å; L198-Q200 VanDerWaalsContact O-N 3.17Å; L198-G201 PolarHBondContact O-N 2.91Å; L198-N202 HydrophobicContact CD2-CB 3.89Å; L198-N202 PolarHBondContact O-N 2.84Å
199	A	98.3	Very high	98	Very high	32 Å²	32	47.6 Å²	47.6	26%	0.264	27%	0.273	S	S	.	.	H	α-helix	trans	-63.3	-20.2	179.6	0	0	0	0	0	113.8	L119 A149 G195 Y196 H197 G201	L119-A199 HydrophobicContact CD1-CB 3.79Å; L119-A199 HydrophobicContact CD2-CB 3.91Å; L119-A199 HydrophobicContact CG-CB 3.7Å; A149-A199 HydrophobicContact CB-CB 3.83Å; G195-A199 WeakPolarHBondContact O-CB 3.34Å; G195-A199 PolarHBondContact O-N 3.4Å; Y196-A199 PolarHBondContact O-N 3.22Å; H197-A199 VanDerWaalsContact C-N 3.3Å; H197-A199 PolarHBondContact O-N 3.02Å; A199-G201 VanDerWaalsContact C-N 3.26Å; A199-G201 PolarHBondContact O-N 2.93Å
200	Q	97.7	Very high	98	Very high	105 Å²	105	46.9 Å²	46.9	49%	0.491	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	13.8	172.3	-54.5	-51	-46.6	0	0	113.3	N46 Y196 H197 L198	N46-Q200 PolarHBondContact ND2-NE2 3.33Å; Y196-Q200 WeakPolarHBondContact O-CG 3.49Å; Y196-Q200 PolarHBondContact O-N 3.2Å; H197-Q200 PolarHBondContact O-N 3.1Å; L198-Q200 PolarHBondContact O-N 2.86Å; L198-Q200 VanDerWaalsContact O-N 3.17Å
201	G	98	Very high	98	Very high	33 Å²	33	50.5 Å²	50.5	34%	0.34	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	18.8	-178	0	0	0	0	0	114.5	F152 L198 A199	F152-G201 WeakPolarHBondContact CE1-O 3.39Å; L198-G201 PolarHBondContact O-N 2.91Å; A199-G201 VanDerWaalsContact C-N 3.26Å; A199-G201 PolarHBondContact O-N 2.93Å
202	N	98	Very high	98.1	Very high	62 Å²	62	50.3 Å²	50.3	33%	0.332	29%	0.292	S	S	.	.			trans	47.8	52.1	-177.9	-166.7	23.9	0	0	0	114.3	F152 H197 L198	F152-N202 HydrophobicContact CB-CB 4.43Å; F152-N202 HydrophobicContact CD1-CB 3.79Å; F152-N202 HydrophobicContact CE1-CB 4.37Å; F152-N202 HydrophobicContact CG-CB 4.23Å; H197-N202 PolarHBondContact CD2-OD1 2.77Å; H197-N202 VanDerWaalsContact CD2-OD1 3.29Å; H197-N202 PolarHBondContact O-N 2.9Å; L198-N202 HydrophobicContact CD2-CB 3.89Å; L198-N202 PolarHBondContact O-N 2.84Å
203	P	98	Very high	98.1	Very high	64 Å²	64	50.7 Å²	50.7	42%	0.416	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-61.5	146.9	-179.1	27.2	-34.5	0	0	0	110.9	H197 R205	H197-P203 PolarHBondContact CE1-O 3.1Å; H197-P203 PolarHBondContact NE2-O 2.98Å; P203-R205 PolarHBondContact O-N 3.48Å
204	A	97.8	Very high	98.1	Very high	97 Å²	97	54.9 Å²	54.9	80%	0.802	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-58.7	131.6	172.9	0	0	0	0	0	109.6
205	R	98.2	Very high	98.1	Very high	46 Å²	46	55.6 Å²	55.6	17%	0.174	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-77.5	133.5	177.9	-67.7	178.8	177.7	83	-4	109.8	H197 P203 L242	H197-R205 VanDerWaalsContact CB-NH2 3.31Å; H197-R205 PolarHBondContact CD2-NH2 3.49Å; H197-R205 VanDerWaalsContact CG-CZ 3.49Å; H197-R205 PolarHBondContact ND1-NH2 3.41Å; P203-R205 PolarHBondContact O-N 3.48Å; R205-L242 HydrophobicContact CB-CD1 3.65Å; R205-L242 HydrophobicContact CB-CD2 4.37Å; R205-L242 HydrophobicContact CB-CG 4.04Å; R205-L242 HydrophobicContact CG-CD1 4.47Å
206	E	98.3	Very high	98	Very high	156 Å²	156	58.9 Å²	58.9	73%	0.729	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-85.5	151.1	179.5	-62.1	-178	171.3	0	0	111.8	Y238 L242	E206-Y238 VanDerWaalsContact O-CE1 3.26Å; E206-Y238 WeakPolarHBondContact O-CE1 3.35Å; E206-Y238 PolarHBondContact O-OH 2.9Å; E206-L242 WeakPolarHBondContact O-CD2 3.31Å
207	I	98.5	Very high	97.8	Very high	52 Å²	52	62.6 Å²	62.6	27%	0.267	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-61.3	140.7	169.8	-75.2	170.6	0	0	0	109.3	P209 L242 A249 A250 Q253	I207-P209 WeakPolarHBondContact O-CD 3.28Å; I207-L242 HydrophobicContact CG1-CD2 4.18Å; I207-A249 HydrophobicContact CD1-CB 3.72Å; I207-A250 HydrophobicContact CD1-CB 4.49Å; I207-A250 HydrophobicContact CG1-CB 4.41Å; I207-Q253 HydrophobicContact CD1-CG 4.25Å; I207-Q253 HydrophobicContact CG2-CG 3.73Å
208	K	98.1	Very high	97.7	Very high	113 Å²	113	70.6 Å²	70.6	49%	0.491	41%	0.408	S	S	.	.			trans	-114.1	98.9	178.7	-71.4	-178.7	178.6	-177.7	0	110.1	T210 Q235 Y238 H239	K208-T210 PolarHBondContact O-N 2.9Å; K208-Q235 PolarHBondContact O-NE2 3.48Å; K208-Y238 HydrophobicContact CB-CD1 4.22Å; K208-Y238 HydrophobicContact CB-CE1 3.93Å; K208-Y238 HydrophobicContact CD-CD1 4.16Å; K208-Y238 HydrophobicContact CD-CE1 3.65Å; K208-Y238 HydrophobicContact CD-CE2 4.1Å; K208-Y238 WeakPolarHBondContact CE-OH 3.48Å; K208-Y238 HydrophobicContact CG-CD1 4.26Å; K208-Y238 HydrophobicContact CG-CE1 3.57Å; K208-H239 PolarHBondContact N-NE2 3.32Å; K208-H239 VanDerWaalsContact N-NE2 3.19Å; K208-H239 PolarHBondContact O-CE1 3.08Å; K208-H239 PolarHBondContact O-NE2 3.48Å
209	P	97	Very high	97.7	Very high	95 Å²	95	70.8 Å²	70.8	62%	0.617	41%	0.409	S	S	*	.			trans	-53.8	140.6	173.7	-24.5	34.3	0	0	0	111.1	I207 T211	I207-P209 WeakPolarHBondContact O-CD 3.28Å; P209-T211 PolarHBondContact O-N 2.98Å
210	T	98	Very high	97.7	Very high	26 Å²	26	71.1 Å²	71.1	16%	0.16	41%	0.406	C	S	.	.			trans	-65.3	125	174.5	-53.9	0	0	0	0	109.5	K208 L231 Q235 L260 L380	K208-T210 PolarHBondContact O-N 2.9Å; T210-L231 HydrophobicContact CG2-CD2 4.02Å; T210-L231 HydrophobicContact CG2-CG 4.44Å; T210-Q235 PolarHBondContact OG1-NE2 2.9Å; T210-L260 HydrophobicContact CG2-CD2 4.03Å; T210-L380 HydrophobicContact CG2-CD1 4.25Å
211	T	96.8	Very high	97.8	Very high	87 Å²	87	66.2 Å²	66.2	53%	0.534	38%	0.383	S	S	.	.			trans	-103.6	175.5	175.3	58.8	0	0	0	0	111.2	P209 L213	P209-T211 PolarHBondContact O-N 2.98Å; T211-L213 PolarHBondContact O-N 3.36Å
212	I	98.6	Very high	97.8	Very high	9 Å²	9	66 Å²	66	5%	0.046	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-57.8	130.2	179.4	-65.4	170	0	0	0	110.6	H214 L380 A383 A391 Q392 L395	I212-H214 PolarHBondContact O-CD2 3.35Å; I212-H214 PolarHBondContact O-N 3.27Å; I212-L380 WeakPolarHBondContact CA-O 3.48Å; I212-L380 HydrophobicContact CG1-CD2 4.06Å; I212-A383 HydrophobicContact CD1-CB 4.03Å; I212-A383 HydrophobicContact CG1-CB 4.27Å; I212-A383 HydrophobicContact CG2-CB 3.9Å; I212-A391 HydrophobicContact CD1-CB 3.56Å; I212-Q392 HydrophobicContact CD1-CB 4.38Å; I212-L395 HydrophobicContact CD1-CD1 4.04Å; I212-L395 HydrophobicContact CG1-CD1 3.8Å
213	L	98.6	Very high	97.8	Very high	21 Å²	21	67.6 Å²	67.6	11%	0.11	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-73.5	119.1	173.6	178.5	67.8	0	0	0	110	T211 V215 A227 A228 L231 L380 L381 G384	T211-L213 PolarHBondContact O-N 3.36Å; L213-V215 HydrophobicContact CD2-CG2 3.84Å; L213-V215 HydrophobicContact CG-CG2 3.8Å; L213-A227 HydrophobicContact CD1-CB 4.13Å; L213-A227 HydrophobicContact CD2-CB 4.05Å; L213-A228 HydrophobicContact CD2-CB 4.06Å; L213-L231 HydrophobicContact CB-CD2 4.09Å; L213-L231 HydrophobicContact CD1-CB 4.31Å; L213-L231 HydrophobicContact CD1-CD2 4.08Å; L213-L380 PolarHBondContact N-O 3.49Å; L213-L381 HydrophobicContact CB-CD2 4.38Å; L213-L381 HydrophobicContact CD2-CD2 4.09Å; L213-G384 VanDerWaalsContact O-CA 3.24Å; L213-G384 WeakPolarHBondContact O-CA 3.34Å
214	H	98.1	Very high	97.9	Very high	103 Å²	103	64.6 Å²	64.6	48%	0.477	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-99.5	119	172	-66.4	-77.8	0	0	0	110.5	I212 G384	I212-H214 PolarHBondContact O-CD2 3.35Å; I212-H214 PolarHBondContact O-N 3.27Å; H214-G384 WeakPolarHBondContact ND1-CA 3.31Å; H214-G384 PolarHBondContact ND1-O 3.28Å
215	V	97.3	Very high	97.9	Very high	23 Å²	23	60 Å²	60	14%	0.139	32%	0.322	C	S	.	.			trans	-111.6	152.8	178.5	-166.2	0	0	0	0	109	L213 A219 A227 F338	L213-V215 HydrophobicContact CD2-CG2 3.84Å; L213-V215 HydrophobicContact CG-CG2 3.8Å; V215-A219 HydrophobicContact CG1-CB 3.45Å; V215-A219 VanDerWaalsContact CG1-CB 3.45Å; V215-A227 HydrophobicContact CG2-CB 4.1Å; V215-F338 HydrophobicContact CB-CD1 4.07Å; V215-F338 HydrophobicContact CB-CE1 4.2Å; V215-F338 HydrophobicContact CG1-CD1 4.35Å; V215-F338 HydrophobicContact CG2-CD1 4.02Å; V215-F338 HydrophobicContact CG2-CE1 3.65Å
216	A	97.3	Very high	97.9	Very high	69 Å²	69	59 Å²	59	57%	0.57	32%	0.319	S	S	*	.			trans	-53.3	146.7	-179.4	0	0	0	0	0	113.1	K218 A219 Y385	A216-K218 PolarHBondContact O-N 2.96Å; A216-A219 HydrophobicContact CB-CB 4.42Å; A216-A219 VanDerWaalsContact O-CB 3.26Å; A216-A219 WeakPolarHBondContact O-CB 3.23Å; A216-A219 PolarHBondContact O-N 3.34Å; A216-Y385 PolarHBondContact O-OH 3.33Å
217	A	94.8	Very high	97.9	Very high	87 Å²	87	52.6 Å²	52.6	72%	0.719	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-31.8	-172	0	0	0	0	0	115.1
218	K	96.4	Very high	97.9	Very high	203 Å²	203	50.1 Å²	50.1	88%	0.883	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	20.2	-178.3	-60.7	-173.5	179.9	178.3	0	112.9	A216	A216-K218 PolarHBondContact O-N 2.96Å
219	A	98.2	Very high	98	Very high	3 Å²	3	44.8 Å²	44.8	3%	0.025	26%	0.257	C	S	.	.			trans	-64.7	141.6	-178.5	0	0	0	0	0	111.8	V215 A216 Q223 F338	V215-A219 HydrophobicContact CG1-CB 3.45Å; V215-A219 VanDerWaalsContact CG1-CB 3.45Å; A216-A219 HydrophobicContact CB-CB 4.42Å; A216-A219 VanDerWaalsContact O-CB 3.26Å; A216-A219 WeakPolarHBondContact O-CB 3.23Å; A216-A219 PolarHBondContact O-N 3.34Å; A219-Q223 HydrophobicContact CB-CB 3.98Å; A219-F338 WeakPolarHBondContact O-CB 3.2Å; A219-F338 PolarHBondContact O-N 3.24Å
220	D	98.6	Very high	98	Very high	39 Å²	39	43.2 Å²	43.2	21%	0.209	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-80.7	169.9	167.5	66	23.1	0	0	0	111.4	E222 Q223 G224 D336 F338	D220-E222 PolarHBondContact O-N 2.92Å; D220-E222 WeakPolarHBondContact OD1-CB 3.46Å; D220-E222 PolarHBondContact OD1-N 3.48Å; D220-E222 VanDerWaalsContact OD1-N 3.17Å; D220-Q223 PolarHBondContact O-N 3.07Å; D220-Q223 WeakPolarHBondContact OD1-CB 3.22Å; D220-Q223 VanDerWaalsContact OD1-CG 3.27Å; D220-Q223 WeakPolarHBondContact OD1-CG 3.39Å; D220-Q223 PolarHBondContact OD1-N 3.15Å; D220-G224 PolarHBondContact O-N 2.88Å; D220-G224 VanDerWaalsContact O-N 3.08Å; D220-D336 CarbonylContact C-O 3.52Å; D220-D336 WeakPolarHBondContact CA-O 3.29Å; D220-D336 WeakPolarHBondContact CB-O 3.45Å; D220-F338 WeakPolarHBondContact O-CB 3.23Å
221	V	98.8	Very high	98	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-28.7	-179.2	-176.9	0	0	0	0	111.7	G224 L225 F268 I271 K333 I334 D336 F338 F341	V221-G224 PolarHBondContact O-N 3.32Å; V221-L225 PolarHBondContact O-N 3.07Å; V221-F268 HydrophobicContact CG1-CD1 3.83Å; V221-F268 HydrophobicContact CG1-CE1 3.64Å; V221-I271 HydrophobicContact CG1-CD1 3.73Å; V221-K333 WeakPolarHBondContact CG2-O 3.44Å; V221-I334 CarbonylContact C-O 3.59Å; V221-I334 WeakPolarHBondContact CA-O 3.27Å; V221-I334 HydrophobicContact CB-CG1 4.46Å; V221-I334 WeakPolarHBondContact CB-O 3.31Å; V221-I334 PolarHBondContact N-O 3.37Å; V221-D336 WeakPolarHBondContact CG2-O 3.3Å; V221-D336 PolarHBondContact N-O 3.47Å; V221-F338 HydrophobicContact CG1-CD2 4.46Å; V221-F341 HydrophobicContact CG1-CD1 4.35Å; V221-F341 HydrophobicContact CG1-CD2 4.02Å; V221-F341 HydrophobicContact CG1-CE2 4.21Å; V221-F341 HydrophobicContact CG1-CG 4.1Å; V221-F341 HydrophobicContact CG1-CZ 4.47Å; V221-F341 HydrophobicContact CG2-CB 3.65Å; V221-F341 HydrophobicContact CG2-CD2 4.15Å; V221-F341 HydrophobicContact CG2-CG 3.94Å
222	E	98.7	Very high	98.1	Very high	30 Å²	30	39.5 Å²	39.5	14%	0.14	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-46.7	175.6	-166.7	168.6	-141.8	0	0	111.5	D220 G224 L225 E226 W322 Q323 I334	D220-E222 PolarHBondContact O-N 2.92Å; D220-E222 WeakPolarHBondContact OD1-CB 3.46Å; D220-E222 PolarHBondContact OD1-N 3.48Å; D220-E222 VanDerWaalsContact OD1-N 3.17Å; E222-G224 VanDerWaalsContact C-N 3.27Å; E222-G224 PolarHBondContact O-N 3.32Å; E222-L225 WeakPolarHBondContact O-CB 3.42Å; E222-L225 PolarHBondContact O-N 3.32Å; E222-L225 VanDerWaalsContact O-N 3.09Å; E222-E226 WeakPolarHBondContact O-CG 3.46Å; E222-E226 PolarHBondContact O-N 3.3Å; E222-W322 HydrophobicContact CG-CZ2 4.19Å; E222-W322 PolarHBondContact OE1-NE1 3.15Å; E222-Q323 WeakPolarHBondContact OE1-CG 3.35Å; E222-Q323 PolarHBondContact OE1-NE2 2.57Å; E222-I334 HydrophobicContact CB-CD1 4.07Å; E222-I334 HydrophobicContact CB-CG1 3.87Å; E222-I334 HydrophobicContact CB-CG2 4.48Å; E222-I334 HydrophobicContact CG-CD1 4.09Å; E222-I334 HydrophobicContact CG-CG1 4.45Å; E222-I334 PolarHBondContact N-O 3.15Å
223	Q	98.6	Very high	98.1	Very high	95 Å²	95	39.2 Å²	39.2	44%	0.444	22%	0.215	S	C	.	.	H	α-helix	trans	-61.7	-35.7	173.9	-71.5	172.4	-36.8	0	0	111.9	A219 D220 A227	A219-Q223 HydrophobicContact CB-CB 3.98Å; D220-Q223 PolarHBondContact O-N 3.07Å; D220-Q223 WeakPolarHBondContact OD1-CB 3.22Å; D220-Q223 VanDerWaalsContact OD1-CG 3.27Å; D220-Q223 WeakPolarHBondContact OD1-CG 3.39Å; D220-Q223 PolarHBondContact OD1-N 3.15Å; Q223-A227 WeakPolarHBondContact O-CB 3.32Å; Q223-A227 PolarHBondContact O-N 2.94Å
224	G	98.6	Very high	98.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-40.6	171.3	0	0	0	0	0	113.5	D220 V221 E222 A228	D220-G224 PolarHBondContact O-N 2.88Å; D220-G224 VanDerWaalsContact O-N 3.08Å; V221-G224 PolarHBondContact O-N 3.32Å; E222-G224 VanDerWaalsContact C-N 3.27Å; E222-G224 PolarHBondContact O-N 3.32Å; G224-A228 WeakPolarHBondContact O-CB 3.29Å; G224-A228 PolarHBondContact O-N 3.24Å
225	L	98.7	Very high	98.1	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-46.1	174.7	169.2	64.3	0	0	0	111.6	V221 E222 A228 L229 T264 F268 V272 W322 I334	V221-L225 PolarHBondContact O-N 3.07Å; E222-L225 WeakPolarHBondContact O-CB 3.42Å; E222-L225 PolarHBondContact O-N 3.32Å; E222-L225 VanDerWaalsContact O-N 3.09Å; L225-A228 PolarHBondContact O-N 3.49Å; L225-L229 HydrophobicContact CD1-CD1 3.74Å; L225-L229 HydrophobicContact CD1-CG 4.18Å; L225-L229 HydrophobicContact CG-CD1 4.21Å; L225-L229 PolarHBondContact O-N 2.88Å; L225-L229 VanDerWaalsContact O-N 3.07Å; L225-T264 HydrophobicContact CD1-CG2 4.09Å; L225-F268 HydrophobicContact CB-CD1 4.02Å; L225-F268 HydrophobicContact CB-CD2 4.35Å; L225-F268 HydrophobicContact CB-CE1 3.85Å; L225-F268 HydrophobicContact CB-CE2 4.24Å; L225-F268 HydrophobicContact CB-CG 4.27Å; L225-F268 HydrophobicContact CB-CZ 3.98Å; L225-F268 HydrophobicContact CD1-CB 4.12Å; L225-F268 HydrophobicContact CD1-CD1 4.36Å; L225-F268 HydrophobicContact CD1-CD2 3.51Å; L225-F268 HydrophobicContact CD1-CE2 3.98Å; L225-F268 HydrophobicContact CD1-CG 3.75Å; L225-F268 HydrophobicContact CG-CG 4.49Å; L225-V272 HydrophobicContact CD2-CG2 3.97Å; L225-W322 HydrophobicContact CD2-CD2 3.86Å; L225-W322 HydrophobicContact CD2-CE3 4.36Å; L225-W322 HydrophobicContact CD2-CG 4.12Å; L225-W322 HydrophobicContact CD2-CZ2 4.19Å; L225-I334 HydrophobicContact CD2-CD1 4.47Å
226	E	98.4	Very high	98.2	Very high	23 Å²	23	35.8 Å²	35.8	11%	0.107	21%	0.207	C	C	.	.	H	α-helix	trans	-58.7	-51.6	177	-73.4	174.1	-153.1	0	0	111	E222 A228 L229 E230 K320 W322	E222-E226 WeakPolarHBondContact O-CG 3.46Å; E222-E226 PolarHBondContact O-N 3.3Å; E226-A228 VanDerWaalsContact C-N 3.3Å; E226-A228 PolarHBondContact O-N 3.26Å; E226-L229 PolarHBondContact O-N 3.37Å; E226-E230 WeakPolarHBondContact O-CB 3.34Å; E226-E230 VanDerWaalsContact O-CG 3.29Å; E226-E230 WeakPolarHBondContact O-CG 3.48Å; E226-E230 PolarHBondContact O-N 3.29Å; E226-K320 IonicContact OE1-NZ 3.97Å; E226-K320 PolarHBondContact OE1-NZ 2.88Å; E226-K320 IonicContact OE2-NZ 3.69Å; E226-K320 PolarHBondContact OE2-NZ 2.82Å; E226-W322 HydrophobicContact CG-CH2 3.77Å; E226-W322 HydrophobicContact CG-CZ2 3.76Å
227	A	98.4	Very high	98.3	Very high	22 Å²	22	32.9 Å²	32.9	18%	0.182	18%	0.182	C	C	.	.	H	α-helix	trans	-60.4	-37.6	179.1	0	0	0	0	0	112.6	L213 V215 Q223 L231	L213-A227 HydrophobicContact CD1-CB 4.13Å; L213-A227 HydrophobicContact CD2-CB 4.05Å; V215-A227 HydrophobicContact CG2-CB 4.1Å; Q223-A227 WeakPolarHBondContact O-CB 3.32Å; Q223-A227 PolarHBondContact O-N 2.94Å; A227-L231 WeakPolarHBondContact O-CB 3.46Å; A227-L231 PolarHBondContact O-N 3.21Å
228	A	98.7	Very high	98.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-65.7	-43.5	176.9	0	0	0	0	0	112.8	L213 G224 L225 E226 A232 T264 F268 L381	L213-A228 HydrophobicContact CD2-CB 4.06Å; G224-A228 WeakPolarHBondContact O-CB 3.29Å; G224-A228 PolarHBondContact O-N 3.24Å; L225-A228 PolarHBondContact O-N 3.49Å; E226-A228 VanDerWaalsContact C-N 3.3Å; E226-A228 PolarHBondContact O-N 3.26Å; A228-A232 WeakPolarHBondContact O-CB 3.48Å; A228-A232 PolarHBondContact O-N 3.46Å; A228-T264 HydrophobicContact CB-CG2 3.7Å; A228-F268 HydrophobicContact CB-CE2 4.16Å; A228-L381 HydrophobicContact CB-CD1 4.14Å; A228-L381 HydrophobicContact CB-CD2 3.76Å; A228-L381 HydrophobicContact CB-CG 4.42Å
229	L	98.5	Very high	98.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-74	-34.6	178.3	-69.2	171.4	0	0	0	112.5	L225 E226 A232 L233 V261 T264 L313 W316 L317 W322	L225-L229 HydrophobicContact CD1-CD1 3.74Å; L225-L229 HydrophobicContact CD1-CG 4.18Å; L225-L229 HydrophobicContact CG-CD1 4.21Å; L225-L229 PolarHBondContact O-N 2.88Å; L225-L229 VanDerWaalsContact O-N 3.07Å; E226-L229 PolarHBondContact O-N 3.37Å; L229-A232 PolarHBondContact O-N 3.06Å; L229-L233 VanDerWaalsContact O-CB 3.29Å; L229-L233 WeakPolarHBondContact O-CB 3.4Å; L229-L233 PolarHBondContact O-N 3.14Å; L229-V261 HydrophobicContact CD2-CG1 4.28Å; L229-T264 HydrophobicContact CD2-CG2 3.68Å; L229-T264 HydrophobicContact CG-CG2 3.85Å; L229-L313 HydrophobicContact CD2-CD1 4.39Å; L229-W316 HydrophobicContact CD1-CE3 3.8Å; L229-W316 HydrophobicContact CD1-CH2 4.36Å; L229-W316 HydrophobicContact CD1-CZ3 3.29Å; L229-L317 HydrophobicContact CB-CD1 3.97Å; L229-L317 HydrophobicContact CB-CD2 4.17Å; L229-L317 HydrophobicContact CD1-CD1 4.41Å; L229-W322 HydrophobicContact CD1-CZ3 4.5Å
230	E	98	Very high	98.6	Very high	62 Å²	62	21.4 Å²	21.4	29%	0.29	11%	0.114	S	C	.	.	H	α-helix	trans	-59.5	-47.4	170.8	-76.8	174.3	-146.3	0	0	111.2	R73 E226 L233 A234 L317	R73-E230 IonicContact CZ-OE1 2.69Å; R73-E230 IonicContact NE-OE1 3.64Å; R73-E230 IonicContact NH1-OE1 3.09Å; R73-E230 PolarHBondContact NH1-OE1 3.03Å; R73-E230 VanDerWaalsContact NH1-OE1 3.1Å; R73-E230 VanDerWaalsContact NH2-CD 3.25Å; R73-E230 IonicContact NH2-OE1 2.66Å; R73-E230 PolarHBondContact NH2-OE1 3.41Å; E226-E230 WeakPolarHBondContact O-CB 3.34Å; E226-E230 VanDerWaalsContact O-CG 3.29Å; E226-E230 WeakPolarHBondContact O-CG 3.48Å; E226-E230 PolarHBondContact O-N 3.29Å; E230-L233 PolarHBondContact O-N 3.31Å; E230-A234 VanDerWaalsContact O-CB 3.23Å; E230-A234 WeakPolarHBondContact O-CB 3.36Å; E230-A234 PolarHBondContact O-N 2.84Å; E230-L317 HydrophobicContact CG-CD2 3.83Å
231	L	98.5	Very high	98.6	Very high	36 Å²	36	20 Å²	20	19%	0.188	11%	0.106	C	C	.	.	H	α-helix	trans	-59.2	-49.4	175	175.2	62.3	0	0	0	111.3	T210 L213 A227 L233 A234 Q235 L381	T210-L231 HydrophobicContact CG2-CD2 4.02Å; T210-L231 HydrophobicContact CG2-CG 4.44Å; L213-L231 HydrophobicContact CB-CD2 4.09Å; L213-L231 HydrophobicContact CD1-CB 4.31Å; L213-L231 HydrophobicContact CD1-CD2 4.08Å; A227-L231 WeakPolarHBondContact O-CB 3.46Å; A227-L231 PolarHBondContact O-N 3.21Å; L231-L233 PolarHBondContact O-N 2.95Å; L231-A234 PolarHBondContact O-N 3.05Å; L231-Q235 HydrophobicContact CD1-CG 4Å; L231-Q235 HydrophobicContact CG-CG 4.44Å; L231-Q235 WeakPolarHBondContact O-CB 3.25Å; L231-Q235 VanDerWaalsContact O-CG 3.3Å; L231-Q235 WeakPolarHBondContact O-CG 3.21Å; L231-Q235 PolarHBondContact O-N 3.16Å; L231-L381 HydrophobicContact CD2-CD2 4.18Å
232	A	98.7	Very high	98.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62	-43.6	-178.5	0	0	0	0	0	112.4	A228 L229 Q235 W236 L260 V261	A228-A232 WeakPolarHBondContact O-CB 3.48Å; A228-A232 PolarHBondContact O-N 3.46Å; L229-A232 PolarHBondContact O-N 3.06Å; A232-Q235 PolarHBondContact O-N 3.12Å; A232-W236 PolarHBondContact O-N 2.93Å; A232-L260 HydrophobicContact CB-CB 4.25Å; A232-L260 HydrophobicContact CB-CD2 3.92Å; A232-L260 HydrophobicContact CB-CG 3.88Å; A232-V261 HydrophobicContact CB-CG2 3.68Å
233	L	98.6	Very high	98.6	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-66.4	-39.8	176.3	179.9	58.1	0	0	0	111.8	T75 L229 E230 L231 W236 Q237 K310 L313 L317	T75-L233 HydrophobicContact CG2-CD2 3.85Å; L229-L233 VanDerWaalsContact O-CB 3.29Å; L229-L233 WeakPolarHBondContact O-CB 3.4Å; L229-L233 PolarHBondContact O-N 3.14Å; E230-L233 PolarHBondContact O-N 3.31Å; L231-L233 PolarHBondContact O-N 2.95Å; L233-W236 PolarHBondContact O-N 3.24Å; L233-Q237 HydrophobicContact CD1-CG 4.32Å; L233-Q237 WeakPolarHBondContact O-CB 3.37Å; L233-Q237 VanDerWaalsContact O-CG 3.29Å; L233-Q237 WeakPolarHBondContact O-CG 3.37Å; L233-Q237 PolarHBondContact O-N 2.94Å; L233-K310 HydrophobicContact CD1-CD 3.42Å; L233-K310 VanDerWaalsContact CD1-CD 3.42Å; L233-K310 HydrophobicContact CD1-CG 4.44Å; L233-L313 HydrophobicContact CB-CD2 4.22Å; L233-L313 HydrophobicContact CD1-CD2 3.94Å; L233-L313 HydrophobicContact CD1-CG 4.33Å; L233-L317 HydrophobicContact CD2-CD2 4.28Å
234	A	98.4	Very high	98.6	Very high	54 Å²	54	16 Å²	16	45%	0.446	9%	0.089	S	C	.	.	H	α-helix	trans	-65.1	-42.7	176.2	0	0	0	0	0	112.1	E230 L231 W236 Q237 Y238	E230-A234 VanDerWaalsContact O-CB 3.23Å; E230-A234 WeakPolarHBondContact O-CB 3.36Å; E230-A234 PolarHBondContact O-N 2.84Å; L231-A234 PolarHBondContact O-N 3.05Å; A234-W236 VanDerWaalsContact C-N 3.34Å; A234-W236 PolarHBondContact O-N 2.99Å; A234-Q237 PolarHBondContact O-N 3.25Å; A234-Y238 WeakPolarHBondContact O-CB 3.5Å; A234-Y238 PolarHBondContact O-N 3.28Å
235	Q	98.7	Very high	98.5	Very high	21 Å²	21	21.1 Å²	21.1	10%	0.098	11%	0.108	C	C	.	.	H	α-helix	trans	-62.1	-41.6	174.2	-71.8	-67.3	96.4	0	0	111	K208 T210 L231 A232 H239 A257	K208-Q235 PolarHBondContact O-NE2 3.48Å; T210-Q235 PolarHBondContact OG1-NE2 2.9Å; L231-Q235 HydrophobicContact CD1-CG 4Å; L231-Q235 HydrophobicContact CG-CG 4.44Å; L231-Q235 WeakPolarHBondContact O-CB 3.25Å; L231-Q235 VanDerWaalsContact O-CG 3.3Å; L231-Q235 WeakPolarHBondContact O-CG 3.21Å; L231-Q235 PolarHBondContact O-N 3.16Å; A232-Q235 PolarHBondContact O-N 3.12Å; Q235-H239 PolarHBondContact NE2-CE1 3.35Å; Q235-H239 PolarHBondContact O-N 3.46Å; Q235-H239 VanDerWaalsContact O-N 3.16Å; Q235-H239 PolarHBondContact O-ND1 2.82Å; Q235-A257 HydrophobicContact CB-CB 3.94Å
236	W	98.7	Very high	98.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62	-52.7	175.2	-174.3	-6.8	0	0	0	110.5	A232 L233 A234 Y238 H239 E240 A257 I258 L284 T306 A309 K310 L313	A232-W236 PolarHBondContact O-N 2.93Å; L233-W236 PolarHBondContact O-N 3.24Å; A234-W236 VanDerWaalsContact C-N 3.34Å; A234-W236 PolarHBondContact O-N 2.99Å; W236-Y238 VanDerWaalsContact C-N 3.34Å; W236-Y238 PolarHBondContact O-N 3.36Å; W236-H239 PolarHBondContact O-N 3.29Å; W236-E240 PolarHBondContact NE1-OE2 2.67Å; W236-E240 VanDerWaalsContact O-CB 3.23Å; W236-E240 WeakPolarHBondContact O-CB 3.37Å; W236-E240 PolarHBondContact O-N 3.14Å; W236-A257 HydrophobicContact CB-CB 3.7Å; W236-A257 VanDerWaalsContact N-CB 3.33Å; W236-I258 HydrophobicContact CD2-CD1 4.38Å; W236-I258 HydrophobicContact CD2-CG1 3.74Å; W236-I258 HydrophobicContact CE3-CG1 3.87Å; W236-I258 HydrophobicContact CG-CG1 4.42Å; W236-I258 HydrophobicContact CH2-CD1 4.26Å; W236-I258 HydrophobicContact CH2-CG1 4.07Å; W236-I258 HydrophobicContact CZ2-CD1 3.82Å; W236-I258 HydrophobicContact CZ2-CG1 3.95Å; W236-I258 HydrophobicContact CZ3-CG1 4.03Å; W236-L284 HydrophobicContact CH2-CD2 4.01Å; W236-L284 HydrophobicContact CZ3-CD2 3.83Å; W236-T306 HydrophobicContact CZ2-CG2 4.34Å; W236-A309 HydrophobicContact CH2-CB 4.08Å; W236-K310 HydrophobicContact CD2-CD 3.98Å; W236-K310 HydrophobicContact CE3-CD 3.97Å; W236-K310 HydrophobicContact CG-CD 4.47Å; W236-K310 VanDerWaalsContact CG-CE 3.43Å; W236-K310 HydrophobicContact CH2-CB 4.2Å; W236-K310 HydrophobicContact CH2-CD 4.34Å; W236-K310 HydrophobicContact CZ2-CB 4.38Å; W236-K310 HydrophobicContact CZ2-CD 4.35Å; W236-K310 HydrophobicContact CZ3-CD 4.15Å; W236-L313 HydrophobicContact CE3-CD2 3.98Å; W236-L313 HydrophobicContact CZ3-CD2 3.96Å
237	Q	98.4	Very high	98.5	Very high	9 Å²	9	25.1 Å²	25.1	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-57.8	-43.6	-179.3	-75.1	-71.2	88.3	0	0	113	G76 Q186 S188 L233 A234 E241	G76-Q237 PolarHBondContact O-NE2 3.07Å; Q186-Q237 PolarHBondContact O-NE2 2.78Å; Q186-Q237 PolarHBondContact O-OE1 3.36Å; S188-Q237 VanDerWaalsContact OG-CB 3.25Å; S188-Q237 WeakPolarHBondContact OG-CB 3.31Å; S188-Q237 VanDerWaalsContact OG-CG 3.3Å; S188-Q237 WeakPolarHBondContact OG-CG 3.27Å; S188-Q237 PolarHBondContact OG-NE2 3.03Å; L233-Q237 HydrophobicContact CD1-CG 4.32Å; L233-Q237 WeakPolarHBondContact O-CB 3.37Å; L233-Q237 VanDerWaalsContact O-CG 3.29Å; L233-Q237 WeakPolarHBondContact O-CG 3.37Å; L233-Q237 PolarHBondContact O-N 2.94Å; A234-Q237 PolarHBondContact O-N 3.25Å; Q237-E241 PolarHBondContact O-N 2.88Å; Q237-E241 VanDerWaalsContact O-N 3.11Å
238	Y	98.6	Very high	98.4	Very high	49 Å²	49	30 Å²	30	19%	0.192	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-50.5	-179.5	-176.4	-99.9	0	0	0	111.5	E206 K208 A234 W236 E241 L242	E206-Y238 VanDerWaalsContact O-CE1 3.26Å; E206-Y238 WeakPolarHBondContact O-CE1 3.35Å; E206-Y238 PolarHBondContact O-OH 2.9Å; K208-Y238 HydrophobicContact CB-CD1 4.22Å; K208-Y238 HydrophobicContact CB-CE1 3.93Å; K208-Y238 HydrophobicContact CD-CD1 4.16Å; K208-Y238 HydrophobicContact CD-CE1 3.65Å; K208-Y238 HydrophobicContact CD-CE2 4.1Å; K208-Y238 WeakPolarHBondContact CE-OH 3.48Å; K208-Y238 HydrophobicContact CG-CD1 4.26Å; K208-Y238 HydrophobicContact CG-CE1 3.57Å; A234-Y238 WeakPolarHBondContact O-CB 3.5Å; A234-Y238 PolarHBondContact O-N 3.28Å; W236-Y238 VanDerWaalsContact C-N 3.34Å; W236-Y238 PolarHBondContact O-N 3.36Å; Y238-E241 WeakPolarHBondContact O-CB 3.32Å; Y238-E241 PolarHBondContact O-N 3.27Å; Y238-L242 HydrophobicContact CD1-CD1 4.28Å; Y238-L242 HydrophobicContact CE1-CD1 3.87Å; Y238-L242 HydrophobicContact CE1-CD2 3.87Å; Y238-L242 HydrophobicContact CE2-CD1 4.13Å; Y238-L242 WeakPolarHBondContact O-CD1 3.27Å; Y238-L242 PolarHBondContact O-N 3.35Å; Y238-L242 VanDerWaalsContact O-N 3.15Å
239	H	98.8	Very high	98.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-72.5	-29.8	-177.8	-63.7	106.6	0	0	0	112.9	K208 Q235 W236 L242 W243 A250 Q253 V254	K208-H239 PolarHBondContact N-NE2 3.32Å; K208-H239 VanDerWaalsContact N-NE2 3.19Å; K208-H239 PolarHBondContact O-CE1 3.08Å; K208-H239 PolarHBondContact O-NE2 3.48Å; Q235-H239 PolarHBondContact NE2-CE1 3.35Å; Q235-H239 PolarHBondContact O-N 3.46Å; Q235-H239 VanDerWaalsContact O-N 3.16Å; Q235-H239 PolarHBondContact O-ND1 2.82Å; W236-H239 PolarHBondContact O-N 3.29Å; H239-L242 PolarHBondContact O-N 2.98Å; H239-W243 VanDerWaalsContact O-CB 3.32Å; H239-W243 WeakPolarHBondContact O-CB 3.41Å; H239-W243 PolarHBondContact O-N 3.49Å; H239-A250 HydrophobicContact CB-CB 4.38Å; H239-A250 WeakPolarHBondContact O-CB 3.41Å; H239-Q253 HydrophobicContact CB-CB 3.85Å; H239-Q253 VanDerWaalsContact CD2-CB 3.44Å; H239-Q253 WeakPolarHBondContact CD2-CB 3.43Å; H239-V254 HydrophobicContact CB-CG2 3.85Å
240	E	98.8	Very high	98.4	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.009	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-40.9	172.5	-174.5	175.4	101.8	0	0	111.7	W236 W243 V244 V254 V301 K310	W236-E240 PolarHBondContact NE1-OE2 2.67Å; W236-E240 VanDerWaalsContact O-CB 3.23Å; W236-E240 WeakPolarHBondContact O-CB 3.37Å; W236-E240 PolarHBondContact O-N 3.14Å; E240-W243 PolarHBondContact O-N 2.86Å; E240-V244 WeakPolarHBondContact O-CG1 3.44Å; E240-V244 PolarHBondContact O-N 2.9Å; E240-V254 HydrophobicContact CB-CG2 4.17Å; E240-V301 HydrophobicContact CG-CB 4.29Å; E240-V301 HydrophobicContact CG-CG1 3.56Å; E240-V301 HydrophobicContact CG-CG2 3.73Å; E240-K310 IonicContact OE1-NZ 2.68Å; E240-K310 PolarHBondContact OE1-NZ 3.06Å; E240-K310 IonicContact OE2-NZ 3.96Å; E240-K310 PolarHBondContact OE2-NZ 3.33Å
241	E	98.7	Very high	98.4	Very high	10 Å²	10	32.5 Å²	32.5	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-62.4	-41.7	173.9	-172.2	72	-149.5	0	0	111.8	R185 L189 Q237 Y238 R245	R185-E241 IonicContact CZ-OE2 2.78Å; R185-E241 IonicContact NH1-OE2 2.74Å; R185-E241 PolarHBondContact NH1-OE2 3.49Å; R185-E241 VanDerWaalsContact NH2-CD 3.27Å; R185-E241 IonicContact NH2-OE1 2.67Å; R185-E241 PolarHBondContact NH2-OE1 3.4Å; R185-E241 VanDerWaalsContact NH2-OE1 3.11Å; R185-E241 IonicContact NH2-OE2 2.81Å; R185-E241 PolarHBondContact NH2-OE2 2.84Å; L189-E241 HydrophobicContact CD1-CG 3.83Å; Q237-E241 PolarHBondContact O-N 2.88Å; Q237-E241 VanDerWaalsContact O-N 3.11Å; Y238-E241 WeakPolarHBondContact O-CB 3.32Å; Y238-E241 PolarHBondContact O-N 3.27Å; E241-R245 WeakPolarHBondContact O-CB 3.32Å; E241-R245 WeakPolarHBondContact O-CD 3.24Å; E241-R245 WeakPolarHBondContact O-CG 3.17Å; E241-R245 PolarHBondContact O-N 2.91Å; E241-R245 IonicContact OE1-CZ 2.9Å; E241-R245 IonicContact OE1-NE 3.63Å; E241-R245 PolarHBondContact OE1-NE 3.47Å; E241-R245 IonicContact OE1-NH2 2.68Å; E241-R245 PolarHBondContact OE1-NH2 3.48Å; E241-R245 VanDerWaalsContact OE1-NH2 3.08Å
242	L	98.6	Very high	98.4	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-64.8	-44.6	174.7	-94.4	63.5	0	0	0	111.6	R205 E206 I207 Y238 H239 R245 G246 N247 A250	R205-L242 HydrophobicContact CB-CD1 3.65Å; R205-L242 HydrophobicContact CB-CD2 4.37Å; R205-L242 HydrophobicContact CB-CG 4.04Å; R205-L242 HydrophobicContact CG-CD1 4.47Å; E206-L242 WeakPolarHBondContact O-CD2 3.31Å; I207-L242 HydrophobicContact CG1-CD2 4.18Å; Y238-L242 HydrophobicContact CD1-CD1 4.28Å; Y238-L242 HydrophobicContact CE1-CD1 3.87Å; Y238-L242 HydrophobicContact CE1-CD2 3.87Å; Y238-L242 HydrophobicContact CE2-CD1 4.13Å; Y238-L242 WeakPolarHBondContact O-CD1 3.27Å; Y238-L242 PolarHBondContact O-N 3.35Å; Y238-L242 VanDerWaalsContact O-N 3.15Å; H239-L242 PolarHBondContact O-N 2.98Å; L242-R245 CarbonylContact O-C 3.55Å; L242-R245 PolarHBondContact O-N 3.45Å; L242-G246 PolarHBondContact O-N 3.43Å; L242-N247 HydrophobicContact CB-CB 4.22Å; L242-N247 WeakPolarHBondContact O-CB 3.44Å; L242-N247 PolarHBondContact O-N 3.3Å; L242-A250 HydrophobicContact CB-CB 3.78Å
243	W	98.7	Very high	98.3	Very high	9 Å²	9	38.6 Å²	38.6	3%	0.034	22%	0.215	C	C	.	.	H	α-helix	trans	-64.7	-48.6	-176.5	-176.1	29.8	0	0	0	111.7	H239 E240 R245 G246 A250 K251 V254 I291 A297 A300 V301	H239-W243 VanDerWaalsContact O-CB 3.32Å; H239-W243 WeakPolarHBondContact O-CB 3.41Å; H239-W243 PolarHBondContact O-N 3.49Å; E240-W243 PolarHBondContact O-N 2.86Å; W243-R245 PolarHBondContact O-N 3.47Å; W243-G246 PolarHBondContact O-N 2.87Å; W243-A250 HydrophobicContact CB-CB 4Å; W243-K251 HydrophobicContact CD2-CB 4.09Å; W243-K251 HydrophobicContact CD2-CG 4.39Å; W243-K251 HydrophobicContact CG-CB 4.33Å; W243-K251 HydrophobicContact CH2-CD 4.33Å; W243-K251 HydrophobicContact CH2-CG 4.1Å; W243-K251 HydrophobicContact CZ2-CB 4.15Å; W243-K251 HydrophobicContact CZ2-CD 3.71Å; W243-K251 HydrophobicContact CZ2-CG 3.72Å; W243-V254 HydrophobicContact CE3-CG2 4.23Å; W243-I291 HydrophobicContact CH2-CB 4.42Å; W243-I291 HydrophobicContact CH2-CG1 4.33Å; W243-I291 HydrophobicContact CH2-CG2 3.8Å; W243-I291 HydrophobicContact CZ3-CG1 4.12Å; W243-I291 HydrophobicContact CZ3-CG2 4.01Å; W243-A297 HydrophobicContact CD2-CB 3.88Å; W243-A297 HydrophobicContact CG-CB 3.99Å; W243-A297 HydrophobicContact CZ2-CB 4.03Å; W243-A300 HydrophobicContact CH2-CB 3.49Å; W243-A300 VanDerWaalsContact CH2-CB 3.49Å; W243-A300 HydrophobicContact CZ2-CB 4.37Å; W243-A300 HydrophobicContact CZ3-CB 3.97Å; W243-V301 HydrophobicContact CD2-CG2 4.47Å; W243-V301 HydrophobicContact CE3-CG2 3.65Å; W243-V301 HydrophobicContact CZ3-CG2 3.81Å
244	V	98.3	Very high	98.3	Very high	27 Å²	27	38.5 Å²	38.5	16%	0.164	22%	0.215	C	C	.	.	H	α-helix	trans	-66.4	-21.3	178.3	77.2	0	0	0	0	112.6	E240 G246 V298 V301 Y302	E240-V244 WeakPolarHBondContact O-CG1 3.44Å; E240-V244 PolarHBondContact O-N 2.9Å; V244-G246 VanDerWaalsContact C-N 3.32Å; V244-V298 HydrophobicContact CG2-CG2 4.19Å; V244-V301 HydrophobicContact CB-CG1 4.44Å; V244-V301 HydrophobicContact CB-CG2 4.43Å; V244-V301 HydrophobicContact CG2-CB 4.46Å; V244-V301 HydrophobicContact CG2-CG1 4.44Å; V244-Y302 HydrophobicContact CG2-CE2 4.03Å
245	R	98	Very high	98.3	Very high	107 Å²	107	38.6 Å²	38.6	40%	0.404	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	8.9	173.1	-70.5	178.7	178.5	-102.7	6	114.1	E154 E241 L242 W243	E154-R245 IonicContact OE1-CZ 3.91Å; E154-R245 IonicContact OE1-NH1 3.15Å; E154-R245 PolarHBondContact OE1-NH1 3.27Å; E154-R245 IonicContact OE1-NH2 3.56Å; E154-R245 PolarHBondContact OE1-NH2 2.87Å; E154-R245 IonicContact OE2-CZ 3.85Å; E154-R245 IonicContact OE2-NH1 3.88Å; E154-R245 PolarHBondContact OE2-NH1 2.91Å; E154-R245 IonicContact OE2-NH2 2.76Å; E241-R245 WeakPolarHBondContact O-CB 3.32Å; E241-R245 WeakPolarHBondContact O-CD 3.24Å; E241-R245 WeakPolarHBondContact O-CG 3.17Å; E241-R245 PolarHBondContact O-N 2.91Å; E241-R245 IonicContact OE1-CZ 2.9Å; E241-R245 IonicContact OE1-NE 3.63Å; E241-R245 PolarHBondContact OE1-NE 3.47Å; E241-R245 IonicContact OE1-NH2 2.68Å; E241-R245 PolarHBondContact OE1-NH2 3.48Å; E241-R245 VanDerWaalsContact OE1-NH2 3.08Å; L242-R245 CarbonylContact O-C 3.55Å; L242-R245 PolarHBondContact O-N 3.45Å; W243-R245 PolarHBondContact O-N 3.47Å
246	G	97.9	Very high	98.3	Very high	57 Å²	57	39.3 Å²	39.3	59%	0.588	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	99.7	9.6	169.7	0	0	0	0	0	115.8	L242 W243 V244 D248	L242-G246 PolarHBondContact O-N 3.43Å; W243-G246 PolarHBondContact O-N 2.87Å; V244-G246 VanDerWaalsContact C-N 3.32Å; G246-D248 PolarHBondContact O-N 3.36Å
247	N	98.1	Very high	98.3	Very high	51 Å²	51	39.4 Å²	39.4	27%	0.273	22%	0.217	S	C	.	.			trans	-87.5	91.4	169.5	-172.4	-19.9	0	0	0	110.3	L242 A249 A250	L242-N247 HydrophobicContact CB-CB 4.22Å; L242-N247 WeakPolarHBondContact O-CB 3.44Å; L242-N247 PolarHBondContact O-N 3.3Å; N247-A249 PolarHBondContact O-N 3.01Å; N247-A249 WeakPolarHBondContact OD1-CB 3.3Å; N247-A249 PolarHBondContact OD1-N 3.49Å; N247-A250 HydrophobicContact CB-CB 4.38Å; N247-A250 VanDerWaalsContact O-CB 3.27Å; N247-A250 WeakPolarHBondContact O-CB 3.35Å; N247-A250 PolarHBondContact O-N 2.89Å
248	D	97.9	Very high	98.3	Very high	126 Å²	126	39 Å²	39	67%	0.674	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.3	-177	-71.6	-28.8	0	0	0	113.8	G246 A250 K251	G246-D248 PolarHBondContact O-N 3.36Å; D248-A250 PolarHBondContact O-N 2.85Å; D248-K251 WeakPolarHBondContact O-CB 3.3Å; D248-K251 PolarHBondContact O-N 3.33Å
249	A	97.5	Very high	98.3	Very high	59 Å²	59	38 Å²	38	49%	0.488	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.7	176.7	0	0	0	0	0	112.4	I207 N247 K251	I207-A249 HydrophobicContact CD1-CB 3.72Å; N247-A249 PolarHBondContact O-N 3.01Å; N247-A249 WeakPolarHBondContact OD1-CB 3.3Å; N247-A249 PolarHBondContact OD1-N 3.49Å; A249-K251 PolarHBondContact O-N 2.96Å
250	A	98.4	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-70.5	-17.8	177.4	0	0	0	0	0	113	I207 H239 L242 W243 N247 D248 E252 Q253 V254	I207-A250 HydrophobicContact CD1-CB 4.49Å; I207-A250 HydrophobicContact CG1-CB 4.41Å; H239-A250 HydrophobicContact CB-CB 4.38Å; H239-A250 WeakPolarHBondContact O-CB 3.41Å; L242-A250 HydrophobicContact CB-CB 3.78Å; W243-A250 HydrophobicContact CB-CB 4Å; N247-A250 HydrophobicContact CB-CB 4.38Å; N247-A250 VanDerWaalsContact O-CB 3.27Å; N247-A250 WeakPolarHBondContact O-CB 3.35Å; N247-A250 PolarHBondContact O-N 2.89Å; D248-A250 PolarHBondContact O-N 2.85Å; A250-E252 VanDerWaalsContact C-N 3.3Å; A250-E252 PolarHBondContact O-N 3.47Å; A250-Q253 PolarHBondContact O-N 2.87Å; A250-V254 WeakPolarHBondContact O-CG2 3.45Å; A250-V254 PolarHBondContact O-N 2.98Å
251	K	98.4	Very high	98.3	Very high	55 Å²	55	37.9 Å²	37.9	24%	0.239	22%	0.215	C	C	.	.	H	α-helix	trans	-55.3	-43.7	175	-177.4	179.8	179.1	173.8	0	112.3	W243 D248 A249 Q253 V254 L255 I291	W243-K251 HydrophobicContact CD2-CB 4.09Å; W243-K251 HydrophobicContact CD2-CG 4.39Å; W243-K251 HydrophobicContact CG-CB 4.33Å; W243-K251 HydrophobicContact CH2-CD 4.33Å; W243-K251 HydrophobicContact CH2-CG 4.1Å; W243-K251 HydrophobicContact CZ2-CB 4.15Å; W243-K251 HydrophobicContact CZ2-CD 3.71Å; W243-K251 HydrophobicContact CZ2-CG 3.72Å; D248-K251 WeakPolarHBondContact O-CB 3.3Å; D248-K251 PolarHBondContact O-N 3.33Å; A249-K251 PolarHBondContact O-N 2.96Å; K251-Q253 VanDerWaalsContact C-N 3.27Å; K251-Q253 PolarHBondContact O-N 3.47Å; K251-V254 PolarHBondContact O-N 3.13Å; K251-L255 PolarHBondContact O-N 2.91Å; K251-I291 WeakPolarHBondContact CE-O 3.12Å; K251-I291 HydrophobicContact CG-CG2 4.13Å; K251-I291 PolarHBondContact NZ-O 2.97Å
252	E	97.4	Very high	98.3	Very high	122 Å²	122	39.4 Å²	39.4	57%	0.57	22%	0.221	S	C	*	.	H	α-helix	trans	-61.8	-39.6	177.7	-174.7	-178.4	168.6	0	0	111	A250 L255 A256	A250-E252 VanDerWaalsContact C-N 3.3Å; A250-E252 PolarHBondContact O-N 3.47Å; E252-L255 PolarHBondContact O-N 3.08Å; E252-A256 WeakPolarHBondContact O-CB 3.3Å; E252-A256 PolarHBondContact O-N 3Å
253	Q	98.4	Very high	98.3	Very high	43 Å²	43	39.8 Å²	39.8	20%	0.201	22%	0.222	C	C	.	.	H	α-helix	trans	-73.4	-29.9	-178.9	-54.1	-56.2	-47.8	0	0	112.7	I207 H239 A250 K251 A256 A257	I207-Q253 HydrophobicContact CD1-CG 4.25Å; I207-Q253 HydrophobicContact CG2-CG 3.73Å; H239-Q253 HydrophobicContact CB-CB 3.85Å; H239-Q253 VanDerWaalsContact CD2-CB 3.44Å; H239-Q253 WeakPolarHBondContact CD2-CB 3.43Å; A250-Q253 PolarHBondContact O-N 2.87Å; K251-Q253 VanDerWaalsContact C-N 3.27Å; K251-Q253 PolarHBondContact O-N 3.47Å; Q253-A256 PolarHBondContact O-N 2.83Å; Q253-A257 WeakPolarHBondContact O-CB 3.25Å; Q253-A257 PolarHBondContact O-N 3.39Å
254	V	98.7	Very high	98.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-49.1	168.6	171.6	0	0	0	0	110.4	H239 E240 W243 A250 K251 A256 A257 I258 I291	H239-V254 HydrophobicContact CB-CG2 3.85Å; E240-V254 HydrophobicContact CB-CG2 4.17Å; W243-V254 HydrophobicContact CE3-CG2 4.23Å; A250-V254 WeakPolarHBondContact O-CG2 3.45Å; A250-V254 PolarHBondContact O-N 2.98Å; K251-V254 PolarHBondContact O-N 3.13Å; V254-A256 VanDerWaalsContact C-N 3.34Å; V254-A256 PolarHBondContact O-N 3.18Å; V254-A257 PolarHBondContact O-N 3.37Å; V254-I258 HydrophobicContact CG1-CD1 4.29Å; V254-I258 WeakPolarHBondContact O-CG1 3.27Å; V254-I258 PolarHBondContact O-N 3.46Å; V254-I258 VanDerWaalsContact O-N 3.08Å; V254-I291 HydrophobicContact CG1-CD1 3.79Å
255	L	98.4	Very high	98.4	Very high	55 Å²	55	39 Å²	39	29%	0.288	22%	0.218	S	C	.	.	H	α-helix	trans	-63.7	-39.4	176.7	-69.4	173.7	0	0	0	111.8	K251 E252 A257 I258 S259 E288 I291	K251-L255 PolarHBondContact O-N 2.91Å; E252-L255 PolarHBondContact O-N 3.08Å; L255-A257 VanDerWaalsContact C-N 3.34Å; L255-A257 PolarHBondContact O-N 2.86Å; L255-I258 PolarHBondContact O-N 3.06Å; L255-S259 WeakPolarHBondContact O-CB 3.49Å; L255-S259 PolarHBondContact O-N 3.02Å; L255-E288 HydrophobicContact CD2-CB 4.48Å; L255-E288 HydrophobicContact CD2-CG 4.32Å; L255-I291 HydrophobicContact CD1-CG2 4.21Å; L255-I291 HydrophobicContact CD2-CB 4.06Å; L255-I291 HydrophobicContact CD2-CD1 4.4Å; L255-I291 HydrophobicContact CD2-CG2 3.67Å; L255-I291 HydrophobicContact CG-CG2 3.87Å
256	A	98.4	Very high	98.4	Very high	37 Å²	37	39.3 Å²	39.3	31%	0.306	23%	0.225	S	C	.	.	H	α-helix	trans	-61.8	-40.5	175.2	0	0	0	0	0	112	E252 Q253 V254 S259 L260	E252-A256 WeakPolarHBondContact O-CB 3.3Å; E252-A256 PolarHBondContact O-N 3Å; Q253-A256 PolarHBondContact O-N 2.83Å; V254-A256 VanDerWaalsContact C-N 3.34Å; V254-A256 PolarHBondContact O-N 3.18Å; A256-S259 VanDerWaalsContact O-CB 3.31Å; A256-S259 WeakPolarHBondContact O-CB 3.34Å; A256-S259 PolarHBondContact O-N 3.37Å; A256-L260 PolarHBondContact O-N 3.2Å
257	A	98.8	Very high	98.4	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-39.7	176.2	0	0	0	0	0	112.5	Q235 W236 Q253 V254 L255 S259 L260 V261	Q235-A257 HydrophobicContact CB-CB 3.94Å; W236-A257 HydrophobicContact CB-CB 3.7Å; W236-A257 VanDerWaalsContact N-CB 3.33Å; Q253-A257 WeakPolarHBondContact O-CB 3.25Å; Q253-A257 PolarHBondContact O-N 3.39Å; V254-A257 PolarHBondContact O-N 3.37Å; L255-A257 VanDerWaalsContact C-N 3.34Å; L255-A257 PolarHBondContact O-N 2.86Å; A257-S259 VanDerWaalsContact C-N 3.32Å; A257-L260 WeakPolarHBondContact O-CB 3.23Å; A257-L260 PolarHBondContact O-N 3.01Å; A257-V261 WeakPolarHBondContact O-CG2 3.23Å; A257-V261 PolarHBondContact O-N 3.22Å; A257-V261 VanDerWaalsContact O-N 3.14Å
258	I	98.7	Very high	98.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.4	-41.1	172.8	-63.6	167.1	0	0	0	110.6	W236 V254 L255 L260 V261 R262 L284 E288 I291	W236-I258 HydrophobicContact CD2-CD1 4.38Å; W236-I258 HydrophobicContact CD2-CG1 3.74Å; W236-I258 HydrophobicContact CE3-CG1 3.87Å; W236-I258 HydrophobicContact CG-CG1 4.42Å; W236-I258 HydrophobicContact CH2-CD1 4.26Å; W236-I258 HydrophobicContact CH2-CG1 4.07Å; W236-I258 HydrophobicContact CZ2-CD1 3.82Å; W236-I258 HydrophobicContact CZ2-CG1 3.95Å; W236-I258 HydrophobicContact CZ3-CG1 4.03Å; V254-I258 HydrophobicContact CG1-CD1 4.29Å; V254-I258 WeakPolarHBondContact O-CG1 3.27Å; V254-I258 PolarHBondContact O-N 3.46Å; V254-I258 VanDerWaalsContact O-N 3.08Å; L255-I258 PolarHBondContact O-N 3.06Å; I258-L260 VanDerWaalsContact C-N 3.33Å; I258-L260 PolarHBondContact O-N 2.81Å; I258-V261 WeakPolarHBondContact O-CB 3.44Å; I258-V261 PolarHBondContact O-N 3.11Å; I258-V261 VanDerWaalsContact O-N 3.17Å; I258-R262 PolarHBondContact O-N 2.81Å; I258-L284 HydrophobicContact CG2-CB 4.25Å; I258-L284 HydrophobicContact CG2-CD1 4.45Å; I258-L284 HydrophobicContact CG2-CD2 4.03Å; I258-L284 HydrophobicContact CG2-CG 4.46Å; I258-E288 HydrophobicContact CD1-CG 4.41Å; I258-E288 HydrophobicContact CG2-CG 3.8Å; I258-E288 VanDerWaalsContact CG2-OE1 3.3Å; I258-E288 WeakPolarHBondContact CG2-OE1 3.44Å; I258-I291 HydrophobicContact CD1-CD1 3.78Å
259	S	98.4	Very high	98.5	Very high	28 Å²	28	30.5 Å²	30.5	20%	0.196	17%	0.173	C	C	.	.	H	α-helix	trans	-59.2	-43.4	173.9	-167.1	0	0	0	0	111.6	L255 A256 A257 V261 R262 H263	L255-S259 WeakPolarHBondContact O-CB 3.49Å; L255-S259 PolarHBondContact O-N 3.02Å; A256-S259 VanDerWaalsContact O-CB 3.31Å; A256-S259 WeakPolarHBondContact O-CB 3.34Å; A256-S259 PolarHBondContact O-N 3.37Å; A257-S259 VanDerWaalsContact C-N 3.32Å; S259-V261 VanDerWaalsContact C-N 3.29Å; S259-V261 PolarHBondContact O-N 2.67Å; S259-R262 CarbonylContact O-C 3.5Å; S259-R262 WeakPolarHBondContact O-CA 3.37Å; S259-R262 WeakPolarHBondContact O-CB 3.26Å; S259-R262 PolarHBondContact O-N 3.09Å; S259-H263 PolarHBondContact O-N 2.94Å; S259-H263 PolarHBondContact O-ND1 3.17Å; S259-H263 PolarHBondContact OG-CE1 3.37Å
260	L	98.8	Very high	98.5	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-36.6	175.5	-176.9	61.3	0	0	0	112.2	T210 A232 A256 A257 I258 H263 T264 D377 L381	T210-L260 HydrophobicContact CG2-CD2 4.03Å; A232-L260 HydrophobicContact CB-CB 4.25Å; A232-L260 HydrophobicContact CB-CD2 3.92Å; A232-L260 HydrophobicContact CB-CG 3.88Å; A256-L260 PolarHBondContact O-N 3.2Å; A257-L260 WeakPolarHBondContact O-CB 3.23Å; A257-L260 PolarHBondContact O-N 3.01Å; I258-L260 VanDerWaalsContact C-N 3.33Å; I258-L260 PolarHBondContact O-N 2.81Å; L260-H263 PolarHBondContact O-N 2.86Å; L260-T264 WeakPolarHBondContact O-CB 3.4Å; L260-T264 PolarHBondContact O-N 2.98Å; L260-T264 PolarHBondContact O-OG1 2.9Å; L260-D377 HydrophobicContact CD1-CB 3.69Å; L260-L381 HydrophobicContact CD1-CD1 3.94Å; L260-L381 HydrophobicContact CD1-CD2 4.19Å; L260-L381 HydrophobicContact CD1-CG 4.11Å
261	V	98.8	Very high	98.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-46.8	171.9	178.2	0	0	0	0	110.4	L229 A232 A257 I258 S259 H263 T264 L265 L284 L313	L229-V261 HydrophobicContact CD2-CG1 4.28Å; A232-V261 HydrophobicContact CB-CG2 3.68Å; A257-V261 WeakPolarHBondContact O-CG2 3.23Å; A257-V261 PolarHBondContact O-N 3.22Å; A257-V261 VanDerWaalsContact O-N 3.14Å; I258-V261 WeakPolarHBondContact O-CB 3.44Å; I258-V261 PolarHBondContact O-N 3.11Å; I258-V261 VanDerWaalsContact O-N 3.17Å; S259-V261 VanDerWaalsContact C-N 3.29Å; S259-V261 PolarHBondContact O-N 2.67Å; V261-H263 PolarHBondContact O-N 2.88Å; V261-T264 WeakPolarHBondContact O-CB 3.39Å; V261-T264 PolarHBondContact O-N 3.4Å; V261-L265 HydrophobicContact CG1-CD1 4.38Å; V261-L265 WeakPolarHBondContact O-CG 3.12Å; V261-L265 PolarHBondContact O-N 3.01Å; V261-L284 HydrophobicContact CB-CD1 4.36Å; V261-L284 HydrophobicContact CG1-CD1 3.87Å; V261-L313 HydrophobicContact CG1-CD1 3.88Å; V261-L313 HydrophobicContact CG1-CD2 4.2Å; V261-L313 HydrophobicContact CG2-CD2 3.57Å
262	R	98.8	Very high	98.5	Very high	42 Å²	42	29 Å²	29	16%	0.158	17%	0.174	C	C	.	.	H	α-helix	trans	-62.9	-43.1	178.2	-63	-175.8	177.2	-76.2	14.3	111.7	I258 S259 L265 M266 R281 L284 T285 E288	I258-R262 PolarHBondContact O-N 2.81Å; S259-R262 CarbonylContact O-C 3.5Å; S259-R262 WeakPolarHBondContact O-CA 3.37Å; S259-R262 WeakPolarHBondContact O-CB 3.26Å; S259-R262 PolarHBondContact O-N 3.09Å; R262-L265 PolarHBondContact O-N 3.03Å; R262-M266 WeakPolarHBondContact O-CG 3.45Å; R262-M266 PolarHBondContact O-N 3.39Å; R262-R281 PolarHBondContact NH1-O 3.21Å; R262-R281 PolarHBondContact NH2-O 3.38Å; R262-L284 HydrophobicContact CG-CD1 4.17Å; R262-L284 VanDerWaalsContact NH2-C 3.26Å; R262-T285 PolarHBondContact NH2-OG1 3.37Å; R262-E288 IonicContact CZ-OE1 3.31Å; R262-E288 IonicContact CZ-OE2 2.58Å; R262-E288 IonicContact NE-OE1 3.11Å; R262-E288 PolarHBondContact NE-OE1 3.47Å; R262-E288 IonicContact NE-OE2 2.79Å; R262-E288 PolarHBondContact NE-OE2 3.02Å; R262-E288 IonicContact NH2-OE1 3.17Å; R262-E288 IonicContact NH2-OE2 2.65Å; R262-E288 PolarHBondContact NH2-OE2 2.68Å
263	H	98.8	Very high	98.5	Very high	16 Å²	16	25.1 Å²	25.1	7%	0.074	16%	0.16	C	C	.	.	H	α-helix	trans	-66.6	-38	178.8	-61.7	158.4	0	0	0	112	S259 L260 V261 M266 L267 R374 D377	S259-H263 PolarHBondContact O-N 2.94Å; S259-H263 PolarHBondContact O-ND1 3.17Å; S259-H263 PolarHBondContact OG-CE1 3.37Å; L260-H263 PolarHBondContact O-N 2.86Å; V261-H263 PolarHBondContact O-N 2.88Å; H263-M266 PolarHBondContact O-N 3.24Å; H263-L267 WeakPolarHBondContact O-CB 3.28Å; H263-L267 PolarHBondContact O-N 3.07Å; H263-R374 HydrophobicContact CB-CG 4.12Å; H263-R374 WeakPolarHBondContact CD2-CG 3.44Å; H263-R374 WeakPolarHBondContact CE1-CA 3.48Å; H263-R374 PolarHBondContact CE1-N 2.87Å; H263-R374 WeakPolarHBondContact NE2-CB 3.36Å; H263-D377 HydrophobicContact CB-CB 4.11Å; H263-D377 IonicContact CE1-OD2 3.26Å; H263-D377 PolarHBondContact CE1-OD2 3.48Å; H263-D377 IonicContact CG-OD2 2.84Å; H263-D377 IonicContact ND1-OD2 2.8Å; H263-D377 PolarHBondContact ND1-OD2 3.28Å
264	T	98.8	Very high	98.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58	-51.4	170.1	-57	0	0	0	0	110.6	L225 A228 L229 L260 V261 M266 L267 F268 L381	L225-T264 HydrophobicContact CD1-CG2 4.09Å; A228-T264 HydrophobicContact CB-CG2 3.7Å; L229-T264 HydrophobicContact CD2-CG2 3.68Å; L229-T264 HydrophobicContact CG-CG2 3.85Å; L260-T264 WeakPolarHBondContact O-CB 3.4Å; L260-T264 PolarHBondContact O-N 2.98Å; L260-T264 PolarHBondContact O-OG1 2.9Å; V261-T264 WeakPolarHBondContact O-CB 3.39Å; V261-T264 PolarHBondContact O-N 3.4Å; T264-M266 PolarHBondContact O-N 3.15Å; T264-L267 PolarHBondContact O-N 2.89Å; T264-L267 VanDerWaalsContact O-N 3.13Å; T264-F268 HydrophobicContact CG2-CD2 3.77Å; T264-F268 HydrophobicContact CG2-CE2 3.81Å; T264-F268 VanDerWaalsContact O-CD2 3.26Å; T264-F268 WeakPolarHBondContact O-CD2 3.13Å; T264-F268 PolarHBondContact O-N 3.44Å; T264-F268 VanDerWaalsContact O-N 3.09Å; T264-L381 HydrophobicContact CG2-CD1 4.5Å; T264-L381 VanDerWaalsContact OG1-CD1 3.3Å; T264-L381 WeakPolarHBondContact OG1-CD1 3.4Å
265	L	98.7	Very high	98.5	Very high	20 Å²	20	38.9 Å²	38.9	11%	0.105	21%	0.214	C	C	.	.	H	α-helix	trans	-58.8	-33.6	177.3	-67.8	171.8	0	0	0	113	V261 R262 G269 L280 R281 W316	V261-L265 HydrophobicContact CG1-CD1 4.38Å; V261-L265 WeakPolarHBondContact O-CG 3.12Å; V261-L265 PolarHBondContact O-N 3.01Å; R262-L265 PolarHBondContact O-N 3.03Å; L265-G269 PolarHBondContact O-N 3.33Å; L265-L280 HydrophobicContact CD1-CD2 4.3Å; L265-R281 HydrophobicContact CD1-CG 3.86Å; L265-W316 HydrophobicContact CD2-CH2 4.02Å; L265-W316 HydrophobicContact CD2-CZ2 4.28Å; L265-W316 HydrophobicContact CD2-CZ3 4.46Å
266	M	98.5	Very high	98.5	Very high	113 Å²	113	36.8 Å²	36.8	56%	0.557	20%	0.204	S	C	*	.	H	α-helix	trans	-71.7	-45	174.7	-69	-177.1	-168.8	0	0	112.1	R262 H263 T264 F268 G269 R374	R262-M266 WeakPolarHBondContact O-CG 3.45Å; R262-M266 PolarHBondContact O-N 3.39Å; H263-M266 PolarHBondContact O-N 3.24Å; T264-M266 PolarHBondContact O-N 3.15Å; M266-F268 VanDerWaalsContact C-N 3.33Å; M266-F268 PolarHBondContact O-N 2.92Å; M266-G269 PolarHBondContact O-N 2.93Å; M266-G269 VanDerWaalsContact O-N 3.07Å; M266-R374 VanDerWaalsContact SD-CD 3.5Å
267	L	98.7	Very high	98.5	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-57.1	-46.3	-179.6	173.6	58.7	0	0	0	111.3	H263 T264 G269 F341 H345 L381 L382	H263-L267 WeakPolarHBondContact O-CB 3.28Å; H263-L267 PolarHBondContact O-N 3.07Å; T264-L267 PolarHBondContact O-N 2.89Å; T264-L267 VanDerWaalsContact O-N 3.13Å; L267-G269 VanDerWaalsContact C-N 3.32Å; L267-F341 HydrophobicContact CD1-CE1 4.19Å; L267-F341 HydrophobicContact CD1-CZ 4.2Å; L267-F341 HydrophobicContact CG-CE1 4.26Å; L267-F341 HydrophobicContact CG-CZ 4.29Å; L267-H345 HydrophobicContact CD1-CB 3.97Å; L267-H345 WeakPolarHBondContact CD1-ND1 3.25Å; L267-L381 HydrophobicContact CD2-CB 4.12Å; L267-L381 HydrophobicContact CD2-CD1 4.14Å; L267-L382 HydrophobicContact CD1-CD1 3.97Å; L267-L382 HydrophobicContact CD1-CD2 4.34Å; L267-L382 HydrophobicContact CD1-CG 4.49Å; L267-L382 HydrophobicContact CD2-CD1 4.34Å; L267-L382 HydrophobicContact CD2-CD2 3.93Å; L267-L382 HydrophobicContact CD2-CG 4.05Å
268	F	98.7	Very high	98.5	Very high	4 Å²	4	39 Å²	39	2%	0.018	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-86.8	1.5	178.9	-64.3	-83.6	0	0	0	113.6	V221 L225 A228 T264 M266 G270 I271 V272 F338 F341	V221-F268 HydrophobicContact CG1-CD1 3.83Å; V221-F268 HydrophobicContact CG1-CE1 3.64Å; L225-F268 HydrophobicContact CB-CD1 4.02Å; L225-F268 HydrophobicContact CB-CD2 4.35Å; L225-F268 HydrophobicContact CB-CE1 3.85Å; L225-F268 HydrophobicContact CB-CE2 4.24Å; L225-F268 HydrophobicContact CB-CG 4.27Å; L225-F268 HydrophobicContact CB-CZ 3.98Å; L225-F268 HydrophobicContact CD1-CB 4.12Å; L225-F268 HydrophobicContact CD1-CD1 4.36Å; L225-F268 HydrophobicContact CD1-CD2 3.51Å; L225-F268 HydrophobicContact CD1-CE2 3.98Å; L225-F268 HydrophobicContact CD1-CG 3.75Å; L225-F268 HydrophobicContact CG-CG 4.49Å; A228-F268 HydrophobicContact CB-CE2 4.16Å; T264-F268 HydrophobicContact CG2-CD2 3.77Å; T264-F268 HydrophobicContact CG2-CE2 3.81Å; T264-F268 VanDerWaalsContact O-CD2 3.26Å; T264-F268 WeakPolarHBondContact O-CD2 3.13Å; T264-F268 PolarHBondContact O-N 3.44Å; T264-F268 VanDerWaalsContact O-N 3.09Å; M266-F268 VanDerWaalsContact C-N 3.33Å; M266-F268 PolarHBondContact O-N 2.92Å; F268-G270 PolarHBondContact O-N 2.85Å; F268-G270 VanDerWaalsContact O-N 3.08Å; F268-I271 PolarHBondContact O-N 3.37Å; F268-V272 PolarHBondContact O-N 3.47Å; F268-F338 HydrophobicContact CE1-CE2 4.03Å; F268-F338 AromaticContact CZ-CE2 3.89Å; F268-F338 HydrophobicContact CZ-CE2 3.89Å; F268-F338 HydrophobicContact CZ-CZ 4.48Å; F268-F341 HydrophobicContact CD1-CE1 4.25Å; F268-F341 AromaticContact CD1-CZ 3.95Å; F268-F341 HydrophobicContact CD1-CZ 3.95Å; F268-F341 AromaticContact CE1-CE1 3.88Å; F268-F341 HydrophobicContact CE1-CE1 3.88Å; F268-F341 HydrophobicContact CE1-CZ 4.06Å; F268-F341 HydrophobicContact CZ-CE1 4.38Å
269	G	98.1	Very high	98.5	Very high	38 Å²	38	44.7 Å²	44.7	39%	0.392	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-64.1	-15.6	-175.7	0	0	0	0	0	115.4	L265 M266 L267 I271 V272	L265-G269 PolarHBondContact O-N 3.33Å; M266-G269 PolarHBondContact O-N 2.93Å; M266-G269 VanDerWaalsContact O-N 3.07Å; L267-G269 VanDerWaalsContact C-N 3.32Å; G269-I271 PolarHBondContact O-N 3.13Å; G269-V272 WeakPolarHBondContact CA-O 3.45Å
270	G	97.2	Very high	98.5	Very high	62 Å²	62	43.7 Å²	43.7	64%	0.639	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-77.2	-5.4	171.3	0	0	0	0	0	114.6	F268	F268-G270 PolarHBondContact O-N 2.85Å; F268-G270 VanDerWaalsContact O-N 3.08Å
271	I	98.5	Very high	98.5	Very high	13 Å²	13	45.5 Å²	45.5	7%	0.067	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-54.2	179.2	-59.3	172.7	0	0	0	109.3	V221 F268 G269 P273 L326 A330 K333 I334 F341	V221-I271 HydrophobicContact CG1-CD1 3.73Å; F268-I271 PolarHBondContact O-N 3.37Å; G269-I271 PolarHBondContact O-N 3.13Å; I271-P273 WeakPolarHBondContact O-CD 3.4Å; I271-L326 HydrophobicContact CG2-CD2 4.4Å; I271-A330 HydrophobicContact CG2-CB 4.19Å; I271-K333 HydrophobicContact CD1-CB 3.99Å; I271-K333 HydrophobicContact CG1-CB 4.03Å; I271-K333 HydrophobicContact CG1-CD 4.19Å; I271-I334 HydrophobicContact CG2-CB 3.78Å; I271-I334 HydrophobicContact CG2-CD1 4.11Å; I271-I334 HydrophobicContact CG2-CG1 3.89Å; I271-F341 HydrophobicContact CD1-CD2 4.26Å; I271-F341 HydrophobicContact CD1-CE2 3.98Å
272	V	98.5	Very high	98.5	Very high	8 Å²	8	49.5 Å²	49.5	5%	0.048	26%	0.261	C	S	.	.	S	Bend	trans	-87.3	113.4	178.3	-178.9	0	0	0	0	109.5	L225 F268 G269 A276 W316 W322 L326	L225-V272 HydrophobicContact CD2-CG2 3.97Å; F268-V272 PolarHBondContact O-N 3.47Å; G269-V272 WeakPolarHBondContact CA-O 3.45Å; V272-A276 HydrophobicContact CG1-CB 3.91Å; V272-W316 HydrophobicContact CG1-CH2 4.29Å; V272-W316 HydrophobicContact CG1-CZ2 4.17Å; V272-W322 HydrophobicContact CG1-CB 3.72Å; V272-W322 HydrophobicContact CG2-CB 3.98Å; V272-W322 HydrophobicContact CG2-CG 4.36Å; V272-L326 HydrophobicContact CG2-CD2 4.37Å
273	P	98.3	Very high	98.5	Very high	40 Å²	40	47.9 Å²	47.9	26%	0.26	26%	0.256	S	S	.	.			trans	-63.2	143.3	-175.9	-23.2	34.6	0	0	0	112.3	I271 K275 A276 F325	I271-P273 WeakPolarHBondContact O-CD 3.4Å; P273-K275 HydrophobicContact CB-CG 4Å; P273-K275 PolarHBondContact O-N 2.91Å; P273-A276 VanDerWaalsContact O-CB 3.25Å; P273-A276 WeakPolarHBondContact O-CB 3.23Å; P273-A276 PolarHBondContact O-N 2.89Å; P273-F325 HydrophobicContact CG-CB 4.31Å
274	R	98.4	Very high	98.5	Very high	187 Å²	187	47.1 Å²	47.1	71%	0.706	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-52.6	-28.6	178.7	-173.5	173	-176	-88.4	2.7	114.1	A276 S277 R281	R274-A276 VanDerWaalsContact C-N 3.28Å; R274-A276 PolarHBondContact O-N 3.43Å; R274-S277 PolarHBondContact O-N 2.97Å; R274-S277 PolarHBondContact O-OG 3.46Å; R274-R281 PolarHBondContact O-NH2 3.09Å
275	K	98.2	Very high	98.4	Very high	146 Å²	146	50.5 Å²	50.5	64%	0.635	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-67.2	-24.2	177.4	63.5	176	178.4	175.8	0	113.8	P273 S277 T278 F325	P273-K275 HydrophobicContact CB-CG 4Å; P273-K275 PolarHBondContact O-N 2.91Å; K275-S277 PolarHBondContact O-N 3.44Å; K275-T278 WeakPolarHBondContact CA-OG1 3.45Å; K275-T278 PolarHBondContact O-OG1 3.39Å; K275-F325 HydrophobicContact CD-CD1 4.35Å; K275-F325 HydrophobicContact CG-CD1 4.05Å; K275-F325 HydrophobicContact CG-CE1 4.24Å
276	A	98.2	Very high	98.4	Very high	10 Å²	10	53.5 Å²	53.5	8%	0.083	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-67.9	-18.6	179.2	0	0	0	0	0	113.2	V272 P273 R274 W316 F325	V272-A276 HydrophobicContact CG1-CB 3.91Å; P273-A276 VanDerWaalsContact O-CB 3.25Å; P273-A276 WeakPolarHBondContact O-CB 3.23Å; P273-A276 PolarHBondContact O-N 2.89Å; R274-A276 VanDerWaalsContact C-N 3.28Å; R274-A276 PolarHBondContact O-N 3.43Å; A276-W316 PolarHBondContact O-NE1 3.28Å; A276-F325 HydrophobicContact CB-CB 4.02Å; A276-F325 HydrophobicContact CB-CD1 4.03Å; A276-F325 HydrophobicContact CB-CD2 3.64Å; A276-F325 HydrophobicContact CB-CE1 4.41Å; A276-F325 HydrophobicContact CB-CE2 4.05Å; A276-F325 HydrophobicContact CB-CG 3.63Å; A276-F325 HydrophobicContact CB-CZ 4.42Å
277	S	98.5	Very high	98.4	Very high	6 Å²	6	48.1 Å²	48.1	4%	0.042	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-121.7	19.7	-178.1	62.2	0	0	0	0	113.5	R274 K275 R281	R274-S277 PolarHBondContact O-N 2.97Å; R274-S277 PolarHBondContact O-OG 3.46Å; K275-S277 PolarHBondContact O-N 3.44Å; S277-R281 WeakPolarHBondContact O-CB 3.43Å; S277-R281 VanDerWaalsContact O-CG 3.29Å; S277-R281 WeakPolarHBondContact O-CG 3.25Å; S277-R281 PolarHBondContact O-N 3.3Å; S277-R281 PolarHBondContact O-NE 2.84Å; S277-R281 PolarHBondContact OG-NE 2.94Å; S277-R281 VanDerWaalsContact OG-NE 3.08Å
278	T	98.6	Very high	98.4	Very high	78 Å²	78	50.1 Å²	50.1	48%	0.479	27%	0.269	S	S	.	.	H	α-helix	trans	-59.6	-52.6	-176.1	-59.4	0	0	0	0	112.9	K275 R281 D282	K275-T278 WeakPolarHBondContact CA-OG1 3.45Å; K275-T278 PolarHBondContact O-OG1 3.39Å; T278-R281 VanDerWaalsContact CA-NH2 3.32Å; T278-R281 PolarHBondContact OG1-NH2 2.81Å; T278-D282 PolarHBondContact O-N 2.77Å
279	H	98.3	Very high	98.4	Very high	121 Å²	121	52.6 Å²	52.6	56%	0.56	29%	0.29	S	S	*	.	H	α-helix	trans	-66.1	-46.2	-179.6	-176.6	51.6	0	0	0	111.8	R281 D282 L283	H279-R281 PolarHBondContact O-N 2.97Å; H279-D282 WeakPolarHBondContact O-CB 3.25Å; H279-D282 PolarHBondContact O-N 3.4Å; H279-D282 VanDerWaalsContact O-N 3.14Å; H279-L283 PolarHBondContact O-N 2.74Å
280	L	98.6	Very high	98.4	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-52.9	-52.4	175.2	172.9	59.3	0	0	0	111.7	L265 D282 L283 L284 A312 L313 W316	L265-L280 HydrophobicContact CD1-CD2 4.3Å; L280-D282 PolarHBondContact O-N 2.9Å; L280-L283 PolarHBondContact O-N 2.9Å; L280-L284 HydrophobicContact CD1-CD1 4.4Å; L280-L284 HydrophobicContact CD1-CD2 4.3Å; L280-L284 HydrophobicContact CD1-CG 4.13Å; L280-L284 HydrophobicContact CG-CD1 4.35Å; L280-L284 HydrophobicContact CG-CG 4.46Å; L280-L284 WeakPolarHBondContact O-CG 3.5Å; L280-L284 PolarHBondContact O-N 2.91Å; L280-A312 HydrophobicContact CD1-CB 4.06Å; L280-L313 HydrophobicContact CD1-CB 3.96Å; L280-L313 HydrophobicContact CD2-CD1 4.19Å; L280-W316 HydrophobicContact CD2-CB 4.38Å; L280-W316 HydrophobicContact CD2-CD2 4.38Å; L280-W316 HydrophobicContact CD2-CG 4.17Å
281	R	98.7	Very high	98.5	Very high	40 Å²	40	49.4 Å²	49.4	15%	0.151	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-29.2	-178.2	-75.4	-176.8	-69	91.7	-1.6	113.5	R262 L265 R274 S277 T278 H279 T285	R262-R281 PolarHBondContact NH1-O 3.21Å; R262-R281 PolarHBondContact NH2-O 3.38Å; L265-R281 HydrophobicContact CD1-CG 3.86Å; R274-R281 PolarHBondContact O-NH2 3.09Å; S277-R281 WeakPolarHBondContact O-CB 3.43Å; S277-R281 VanDerWaalsContact O-CG 3.29Å; S277-R281 WeakPolarHBondContact O-CG 3.25Å; S277-R281 PolarHBondContact O-N 3.3Å; S277-R281 PolarHBondContact O-NE 2.84Å; S277-R281 PolarHBondContact OG-NE 2.94Å; S277-R281 VanDerWaalsContact OG-NE 3.08Å; T278-R281 VanDerWaalsContact CA-NH2 3.32Å; T278-R281 PolarHBondContact OG1-NH2 2.81Å; H279-R281 PolarHBondContact O-N 2.97Å; R281-T285 PolarHBondContact O-N 2.87Å; R281-T285 PolarHBondContact O-OG1 3.37Å
282	D	98.7	Very high	98.4	Very high	84 Å²	84	52 Å²	52	45%	0.449	27%	0.274	S	S	.	.	H	α-helix	trans	-70.4	-47.3	175.7	-175.5	57.9	0	0	0	111	T278 H279 L280 L284 T285 Q286	T278-D282 PolarHBondContact O-N 2.77Å; H279-D282 WeakPolarHBondContact O-CB 3.25Å; H279-D282 PolarHBondContact O-N 3.4Å; H279-D282 VanDerWaalsContact O-N 3.14Å; L280-D282 PolarHBondContact O-N 2.9Å; D282-L284 VanDerWaalsContact C-N 3.33Å; D282-L284 PolarHBondContact O-N 3.5Å; D282-T285 VanDerWaalsContact O-CB 3.32Å; D282-T285 WeakPolarHBondContact O-CB 3.37Å; D282-T285 PolarHBondContact O-N 2.89Å; D282-Q286 PolarHBondContact O-N 3.34Å; D282-Q286 VanDerWaalsContact O-N 3.15Å; D282-Q286 PolarHBondContact OD2-NE2 3.34Å; D282-Q286 VanDerWaalsContact OD2-NE2 3.09Å
283	L	98.7	Very high	98.3	Very high	8 Å²	8	56.2 Å²	56.2	4%	0.042	30%	0.304	C	S	.	.	H	α-helix	trans	-61	-40.4	174.4	-65.8	176.5	0	0	0	112.3	H279 L280 T285 Q286 C287 M308 A309 A312	H279-L283 PolarHBondContact O-N 2.74Å; L280-L283 PolarHBondContact O-N 2.9Å; L283-T285 PolarHBondContact O-N 3.37Å; L283-Q286 PolarHBondContact O-N 3.16Å; L283-C287 WeakPolarHBondContact O-CB 3.39Å; L283-C287 PolarHBondContact O-N 2.94Å; L283-M308 HydrophobicContact CD1-CB 4.38Å; L283-M308 HydrophobicContact CD2-CB 4.27Å; L283-M308 HydrophobicContact CD2-CE 4.21Å; L283-A309 HydrophobicContact CB-CB 3.94Å; L283-A312 HydrophobicContact CD1-CB 3.55Å
284	L	98.7	Very high	98.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.4	-36.8	173.5	-66.6	-178.1	0	0	0	111.7	W236 I258 V261 R262 L280 D282 C287 E288 A309	W236-L284 HydrophobicContact CH2-CD2 4.01Å; W236-L284 HydrophobicContact CZ3-CD2 3.83Å; I258-L284 HydrophobicContact CG2-CB 4.25Å; I258-L284 HydrophobicContact CG2-CD1 4.45Å; I258-L284 HydrophobicContact CG2-CD2 4.03Å; I258-L284 HydrophobicContact CG2-CG 4.46Å; V261-L284 HydrophobicContact CB-CD1 4.36Å; V261-L284 HydrophobicContact CG1-CD1 3.87Å; R262-L284 HydrophobicContact CG-CD1 4.17Å; R262-L284 VanDerWaalsContact NH2-C 3.26Å; L280-L284 HydrophobicContact CD1-CD1 4.4Å; L280-L284 HydrophobicContact CD1-CD2 4.3Å; L280-L284 HydrophobicContact CD1-CG 4.13Å; L280-L284 HydrophobicContact CG-CD1 4.35Å; L280-L284 HydrophobicContact CG-CG 4.46Å; L280-L284 WeakPolarHBondContact O-CG 3.5Å; L280-L284 PolarHBondContact O-N 2.91Å; D282-L284 VanDerWaalsContact C-N 3.33Å; D282-L284 PolarHBondContact O-N 3.5Å; L284-C287 PolarHBondContact O-N 3.29Å; L284-E288 WeakPolarHBondContact O-CB 3.3Å; L284-E288 VanDerWaalsContact O-CG 3.24Å; L284-E288 WeakPolarHBondContact O-CG 3.47Å; L284-E288 PolarHBondContact O-N 3.05Å; L284-A309 HydrophobicContact CD2-CB 4.31Å
285	T	98.7	Very high	97.9	Very high	71 Å²	71	53.8 Å²	53.8	44%	0.436	31%	0.311	S	S	.	.	H	α-helix	trans	-67.7	-41.8	179.3	-57.4	0	0	0	0	111.2	R262 R281 D282 L283 A289	R262-T285 PolarHBondContact NH2-OG1 3.37Å; R281-T285 PolarHBondContact O-N 2.87Å; R281-T285 PolarHBondContact O-OG1 3.37Å; D282-T285 VanDerWaalsContact O-CB 3.32Å; D282-T285 WeakPolarHBondContact O-CB 3.37Å; D282-T285 PolarHBondContact O-N 2.89Å; L283-T285 PolarHBondContact O-N 3.37Å; T285-A289 WeakPolarHBondContact O-CB 3.32Å; T285-A289 PolarHBondContact O-N 2.89Å; T285-A289 VanDerWaalsContact O-N 3.07Å
286	Q	98.5	Very high	97.8	Very high	82 Å²	82	49 Å²	49	38%	0.383	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-44.4	176.2	-62.3	177.3	46.5	0	0	110.7	D282 L283 A289 T290 E305	D282-Q286 PolarHBondContact O-N 3.34Å; D282-Q286 VanDerWaalsContact O-N 3.15Å; D282-Q286 PolarHBondContact OD2-NE2 3.34Å; D282-Q286 VanDerWaalsContact OD2-NE2 3.09Å; L283-Q286 PolarHBondContact O-N 3.16Å; Q286-A289 PolarHBondContact O-N 2.74Å; Q286-T290 PolarHBondContact O-N 2.94Å; Q286-T290 PolarHBondContact O-OG1 3.2Å; Q286-E305 HydrophobicContact CB-CB 4.44Å; Q286-E305 HydrophobicContact CB-CG 4.24Å
287	C	98.6	Very high	97.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-48	176.2	177.6	0	0	0	0	112.6	L283 L284 A289 T290 I291 A309	L283-C287 WeakPolarHBondContact O-CB 3.39Å; L283-C287 PolarHBondContact O-N 2.94Å; L284-C287 PolarHBondContact O-N 3.29Å; C287-A289 VanDerWaalsContact C-N 3.32Å; C287-A289 PolarHBondContact O-N 3.47Å; C287-T290 PolarHBondContact O-N 3.21Å; C287-I291 WeakPolarHBondContact O-CG1 3.3Å; C287-I291 PolarHBondContact O-N 3.42Å; C287-A309 HydrophobicContact CB-CB 3.66Å
288	E	98.6	Very high	97.8	Very high	48 Å²	48	51.6 Å²	51.6	22%	0.224	31%	0.313	C	S	.	.	H	α-helix	trans	-58.3	-43	176.1	-74.5	165.5	161.2	0	0	111.9	L255 I258 R262 L284 I291 A292	L255-E288 HydrophobicContact CD2-CB 4.48Å; L255-E288 HydrophobicContact CD2-CG 4.32Å; I258-E288 HydrophobicContact CD1-CG 4.41Å; I258-E288 HydrophobicContact CG2-CG 3.8Å; I258-E288 VanDerWaalsContact CG2-OE1 3.3Å; I258-E288 WeakPolarHBondContact CG2-OE1 3.44Å; R262-E288 IonicContact CZ-OE1 3.31Å; R262-E288 IonicContact CZ-OE2 2.58Å; R262-E288 IonicContact NE-OE1 3.11Å; R262-E288 PolarHBondContact NE-OE1 3.47Å; R262-E288 IonicContact NE-OE2 2.79Å; R262-E288 PolarHBondContact NE-OE2 3.02Å; R262-E288 IonicContact NH2-OE1 3.17Å; R262-E288 IonicContact NH2-OE2 2.65Å; R262-E288 PolarHBondContact NH2-OE2 2.68Å; L284-E288 WeakPolarHBondContact O-CB 3.3Å; L284-E288 VanDerWaalsContact O-CG 3.24Å; L284-E288 WeakPolarHBondContact O-CG 3.47Å; L284-E288 PolarHBondContact O-N 3.05Å; E288-I291 PolarHBondContact O-N 3.34Å; E288-A292 VanDerWaalsContact O-CB 3.3Å; E288-A292 WeakPolarHBondContact O-CB 3.49Å; E288-A292 PolarHBondContact O-N 2.95Å
289	A	98.4	Very high	97.7	Very high	56 Å²	56	52.6 Å²	52.6	46%	0.463	32%	0.318	S	S	.	.	H	α-helix	trans	-62.5	-47.2	177.3	0	0	0	0	0	111.4	T285 Q286 C287 I291 A292 S293	T285-A289 WeakPolarHBondContact O-CB 3.32Å; T285-A289 PolarHBondContact O-N 2.89Å; T285-A289 VanDerWaalsContact O-N 3.07Å; Q286-A289 PolarHBondContact O-N 2.74Å; C287-A289 VanDerWaalsContact C-N 3.32Å; C287-A289 PolarHBondContact O-N 3.47Å; A289-I291 PolarHBondContact O-N 2.84Å; A289-A292 PolarHBondContact O-N 2.76Å; A289-S293 PolarHBondContact O-N 3.28Å; A289-S293 PolarHBondContact O-OG 3.34Å; A289-S293 VanDerWaalsContact O-OG 3.05Å
290	T	98.4	Very high	97.7	Very high	33 Å²	33	46.9 Å²	46.9	20%	0.202	29%	0.292	C	S	.	.	H	α-helix	trans	-57.8	-47.9	175.9	-65.3	0	0	0	0	111.5	Q286 C287 A292 S293 A294	Q286-T290 PolarHBondContact O-N 2.94Å; Q286-T290 PolarHBondContact O-OG1 3.2Å; C287-T290 PolarHBondContact O-N 3.21Å; T290-A292 PolarHBondContact O-N 2.84Å; T290-S293 PolarHBondContact O-N 2.9Å; T290-S293 PolarHBondContact O-OG 3.19Å; T290-A294 VanDerWaalsContact O-CB 3.3Å; T290-A294 WeakPolarHBondContact O-CB 3.47Å; T290-A294 PolarHBondContact O-N 3.34Å
291	I	98.3	Very high	97.7	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-62.3	-44.3	178.3	-68.7	168.7	0	0	0	111	W243 K251 V254 L255 I258 C287 E288 A289 S293 A294	W243-I291 HydrophobicContact CH2-CB 4.42Å; W243-I291 HydrophobicContact CH2-CG1 4.33Å; W243-I291 HydrophobicContact CH2-CG2 3.8Å; W243-I291 HydrophobicContact CZ3-CG1 4.12Å; W243-I291 HydrophobicContact CZ3-CG2 4.01Å; K251-I291 WeakPolarHBondContact CE-O 3.12Å; K251-I291 HydrophobicContact CG-CG2 4.13Å; K251-I291 PolarHBondContact NZ-O 2.97Å; V254-I291 HydrophobicContact CG1-CD1 3.79Å; L255-I291 HydrophobicContact CD1-CG2 4.21Å; L255-I291 HydrophobicContact CD2-CB 4.06Å; L255-I291 HydrophobicContact CD2-CD1 4.4Å; L255-I291 HydrophobicContact CD2-CG2 3.67Å; L255-I291 HydrophobicContact CG-CG2 3.87Å; I258-I291 HydrophobicContact CD1-CD1 3.78Å; C287-I291 WeakPolarHBondContact O-CG1 3.3Å; C287-I291 PolarHBondContact O-N 3.42Å; E288-I291 PolarHBondContact O-N 3.34Å; A289-I291 PolarHBondContact O-N 2.84Å; I291-S293 PolarHBondContact O-N 3.11Å; I291-A294 PolarHBondContact O-N 3.28Å
292	A	96.6	Very high	97.7	Very high	68 Å²	68	45.7 Å²	45.7	56%	0.562	29%	0.288	S	S	*	.	H	α-helix	trans	-60.7	-45.4	-179.3	0	0	0	0	0	111.8	E288 A289 T290	E288-A292 VanDerWaalsContact O-CB 3.3Å; E288-A292 WeakPolarHBondContact O-CB 3.49Å; E288-A292 PolarHBondContact O-N 2.95Å; A289-A292 PolarHBondContact O-N 2.76Å; T290-A292 PolarHBondContact O-N 2.84Å
293	S	96.4	Very high	97.7	Very high	95 Å²	95	42.1 Å²	42.1	66%	0.664	27%	0.269	S	S	*	.	H	α-helix	trans	-84.7	-5.5	-179.1	60.2	0	0	0	0	115.2	A289 T290 I291 V295	A289-S293 PolarHBondContact O-N 3.28Å; A289-S293 PolarHBondContact O-OG 3.34Å; A289-S293 VanDerWaalsContact O-OG 3.05Å; T290-S293 PolarHBondContact O-N 2.9Å; T290-S293 PolarHBondContact O-OG 3.19Å; I291-S293 PolarHBondContact O-N 3.11Å; S293-V295 PolarHBondContact O-N 3.36Å
294	A	95.2	Very high	97.7	Very high	26 Å²	26	43.1 Å²	43.1	22%	0.215	28%	0.276	C	S	.	.			trans	-67.3	132.1	-174.1	0	0	0	0	0	113.4	T290 I291 A300	T290-A294 VanDerWaalsContact O-CB 3.3Å; T290-A294 WeakPolarHBondContact O-CB 3.47Å; T290-A294 PolarHBondContact O-N 3.34Å; I291-A294 PolarHBondContact O-N 3.28Å; A294-A300 HydrophobicContact CB-CB 3.53Å
295	V	93	Very high	97.7	Very high	151 Å²	151	46.6 Å²	46.6	92%	0.915	29%	0.292	S	S	*	.	S	Bend	trans	-86.7	-14.2	170.8	-62	0	0	0	0	113.3	S293	S293-V295 PolarHBondContact O-N 3.36Å
296	S	96	Very high	97.7	Very high	45 Å²	45	43.4 Å²	43.4	32%	0.315	27%	0.272	S	S	.	.			trans	-143.8	134.1	-177.8	169.4	0	0	0	0	110.4	V298 T299 A300	S296-V298 VanDerWaalsContact C-N 3.31Å; S296-V298 PolarHBondContact O-N 3.46Å; S296-V298 PolarHBondContact OG-N 3.42Å; S296-T299 PolarHBondContact O-N 2.99Å; S296-A300 PolarHBondContact O-N 3.32Å; S296-A300 VanDerWaalsContact O-N 3.1Å
297	A	98	Very high	97.7	Very high	17 Å²	17	39.8 Å²	39.8	14%	0.14	26%	0.257	C	S	.	.	H	α-helix	trans	-58.5	-43.9	173.7	0	0	0	0	0	111.3	W243 T299 A300 V301	W243-A297 HydrophobicContact CD2-CB 3.88Å; W243-A297 HydrophobicContact CG-CB 3.99Å; W243-A297 HydrophobicContact CZ2-CB 4.03Å; A297-T299 PolarHBondContact O-N 2.81Å; A297-A300 PolarHBondContact O-N 3.37Å; A297-V301 VanDerWaalsContact O-CB 3.31Å; A297-V301 WeakPolarHBondContact O-CB 3.44Å; A297-V301 VanDerWaalsContact O-CG2 3.26Å; A297-V301 WeakPolarHBondContact O-CG2 3.41Å; A297-V301 PolarHBondContact O-N 3.44Å
298	V	98.1	Very high	97.7	Very high	54 Å²	54	42.9 Å²	42.9	33%	0.327	27%	0.272	S	S	.	.	H	α-helix	trans	-59.1	-47.6	179.9	177.9	0	0	0	0	110.4	V244 S296 A300 Y302	V244-V298 HydrophobicContact CG2-CG2 4.19Å; S296-V298 VanDerWaalsContact C-N 3.31Å; S296-V298 PolarHBondContact O-N 3.46Å; S296-V298 PolarHBondContact OG-N 3.42Å; V298-A300 PolarHBondContact O-N 2.95Å; V298-Y302 HydrophobicContact CG1-CD2 3.83Å; V298-Y302 HydrophobicContact CG1-CE2 4.25Å; V298-Y302 WeakPolarHBondContact O-CB 3.49Å; V298-Y302 WeakPolarHBondContact O-CD2 2.98Å; V298-Y302 PolarHBondContact O-N 2.89Å; V298-Y302 VanDerWaalsContact O-N 3.09Å
299	T	97.8	Very high	97.7	Very high	98 Å²	98	40.6 Å²	40.6	60%	0.601	26%	0.261	S	S	*	.	H	α-helix	trans	-63.3	-42.1	178.8	-53.8	0	0	0	0	111.9	S296 A297 S303	S296-T299 PolarHBondContact O-N 2.99Å; A297-T299 PolarHBondContact O-N 2.81Å; T299-S303 WeakPolarHBondContact O-CB 3.45Å; T299-S303 PolarHBondContact O-N 3.46Å
300	A	98.4	Very high	97.7	Very high	1 Å²	1	38 Å²	38	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-68	-46.4	-179.2	0	0	0	0	0	112.8	W243 A294 S296 A297 V298 S303 T306	W243-A300 HydrophobicContact CH2-CB 3.49Å; W243-A300 VanDerWaalsContact CH2-CB 3.49Å; W243-A300 HydrophobicContact CZ2-CB 4.37Å; W243-A300 HydrophobicContact CZ3-CB 3.97Å; A294-A300 HydrophobicContact CB-CB 3.53Å; S296-A300 PolarHBondContact O-N 3.32Å; S296-A300 VanDerWaalsContact O-N 3.1Å; A297-A300 PolarHBondContact O-N 3.37Å; V298-A300 PolarHBondContact O-N 2.95Å; A300-S303 WeakPolarHBondContact O-CB 3.48Å; A300-S303 PolarHBondContact O-N 2.94Å; A300-S303 PolarHBondContact O-OG 3.06Å; A300-T306 WeakPolarHBondContact O-CB 3.43Å; A300-T306 PolarHBondContact O-OG1 2.96Å
301	V	98.6	Very high	97.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-72.5	-37.1	-173.6	170.5	0	0	0	0	111.7	R185 E240 W243 V244 A297 S303	R185-V301 HydrophobicContact CB-CG1 4.07Å; R185-V301 VanDerWaalsContact CD-CG1 3.41Å; R185-V301 HydrophobicContact CG-CG1 4.36Å; E240-V301 HydrophobicContact CG-CB 4.29Å; E240-V301 HydrophobicContact CG-CG1 3.56Å; E240-V301 HydrophobicContact CG-CG2 3.73Å; W243-V301 HydrophobicContact CD2-CG2 4.47Å; W243-V301 HydrophobicContact CE3-CG2 3.65Å; W243-V301 HydrophobicContact CZ3-CG2 3.81Å; V244-V301 HydrophobicContact CB-CG1 4.44Å; V244-V301 HydrophobicContact CB-CG2 4.43Å; V244-V301 HydrophobicContact CG2-CB 4.46Å; V244-V301 HydrophobicContact CG2-CG1 4.44Å; A297-V301 VanDerWaalsContact O-CB 3.31Å; A297-V301 WeakPolarHBondContact O-CB 3.44Å; A297-V301 VanDerWaalsContact O-CG2 3.26Å; A297-V301 WeakPolarHBondContact O-CG2 3.41Å; A297-V301 PolarHBondContact O-N 3.44Å; V301-S303 VanDerWaalsContact C-N 3.33Å
302	Y	98.7	Very high	97.7	Very high	21 Å²	21	37 Å²	37	8%	0.082	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	10	177.5	-70.9	-71.7	0	0	0	114.1	I10 N12 T182 G183 R185 V244 V298	I10-Y302 WeakPolarHBondContact CG2-OH 3.22Å; I10-Y302 WeakPolarHBondContact O-CE1 3.12Å; N12-Y302 HydrophobicContact CB-CD1 3.85Å; N12-Y302 HydrophobicContact CB-CD2 3.87Å; N12-Y302 HydrophobicContact CB-CE1 3.85Å; N12-Y302 HydrophobicContact CB-CE2 3.88Å; N12-Y302 HydrophobicContact CB-CG 3.84Å; T182-Y302 WeakPolarHBondContact CA-O 3.32Å; T182-Y302 WeakPolarHBondContact CB-O 3.34Å; G183-Y302 PolarHBondContact N-O 3.23Å; G183-Y302 VanDerWaalsContact O-CD1 3.31Å; G183-Y302 WeakPolarHBondContact O-CD1 3.42Å; G183-Y302 WeakPolarHBondContact O-CE1 3.36Å; R185-Y302 HydrophobicContact CB-CD1 4.08Å; R185-Y302 HydrophobicContact CB-CE1 3.98Å; R185-Y302 HydrophobicContact CG-CD1 4.16Å; R185-Y302 HydrophobicContact CG-CE1 3.56Å; R185-Y302 PolarHBondContact NE-OH 2.98Å; R185-Y302 VanDerWaalsContact NE-OH 3.15Å; V244-Y302 HydrophobicContact CG2-CE2 4.03Å; V298-Y302 HydrophobicContact CG1-CD2 3.83Å; V298-Y302 HydrophobicContact CG1-CE2 4.25Å; V298-Y302 WeakPolarHBondContact O-CB 3.49Å; V298-Y302 WeakPolarHBondContact O-CD2 2.98Å; V298-Y302 PolarHBondContact O-N 2.89Å; V298-Y302 VanDerWaalsContact O-N 3.09Å
303	S	98.5	Very high	97.8	Very high	9 Å²	9	33.8 Å²	33.8	6%	0.063	21%	0.208	C	C	.	.	S	Bend	trans	-70.2	152.3	174.1	68.9	0	0	0	0	111.6	T299 A300 V301 E305 T306 A307	T299-S303 WeakPolarHBondContact O-CB 3.45Å; T299-S303 PolarHBondContact O-N 3.46Å; A300-S303 WeakPolarHBondContact O-CB 3.48Å; A300-S303 PolarHBondContact O-N 2.94Å; A300-S303 PolarHBondContact O-OG 3.06Å; V301-S303 VanDerWaalsContact C-N 3.33Å; S303-E305 VanDerWaalsContact C-N 3.26Å; S303-E305 WeakPolarHBondContact CB-OE2 3.35Å; S303-E305 PolarHBondContact O-N 2.54Å; S303-T306 PolarHBondContact O-N 3.2Å; S303-T306 WeakPolarHBondContact OG-CB 3.27Å; S303-T306 PolarHBondContact OG-N 2.87Å; S303-T306 PolarHBondContact OG-OG1 2.92Å; S303-A307 WeakPolarHBondContact O-CB 3.48Å; S303-A307 PolarHBondContact O-N 3.21Å
304	T	98.3	Very high	97.9	Very high	29 Å²	29	29.3 Å²	29.3	18%	0.178	18%	0.177	C	C	.	.	H	α-helix	trans	-62.5	-36	174.2	-67.6	0	0	0	0	111	T306 A307 M308	T304-T306 PolarHBondContact O-N 3.15Å; T304-A307 PolarHBondContact O-N 2.71Å; T304-M308 HydrophobicContact CG2-CG 3.85Å; T304-M308 HydrophobicContact CG2-SD 3.43Å; T304-M308 WeakPolarHBondContact CG2-SD 3.37Å; T304-M308 VanDerWaalsContact O-CB 3.25Å; T304-M308 WeakPolarHBondContact O-CB 3.49Å; T304-M308 VanDerWaalsContact O-CG 3.23Å; T304-M308 WeakPolarHBondContact O-CG 3.09Å; T304-M308 PolarHBondContact O-N 2.97Å
305	E	98.5	Very high	98.1	Very high	73 Å²	73	31.3 Å²	31.3	34%	0.341	18%	0.181	S	C	.	.	H	α-helix	trans	-60.2	-46.5	177.7	-64.2	78.4	-175.2	0	0	111.6	Q286 S303 A309	Q286-E305 HydrophobicContact CB-CB 4.44Å; Q286-E305 HydrophobicContact CB-CG 4.24Å; S303-E305 VanDerWaalsContact C-N 3.26Å; S303-E305 WeakPolarHBondContact CB-OE2 3.35Å; S303-E305 PolarHBondContact O-N 2.54Å; E305-A309 WeakPolarHBondContact O-CB 3.26Å; E305-A309 PolarHBondContact O-N 3.32Å; E305-A309 VanDerWaalsContact O-N 3.09Å
306	T	98.7	Very high	98.3	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.018	14%	0.141	C	C	.	.	H	α-helix	trans	-69	-44.2	176.7	-61.7	0	0	0	0	111.6	W236 A300 S303 T304 A309 K310	W236-T306 HydrophobicContact CZ2-CG2 4.34Å; A300-T306 WeakPolarHBondContact O-CB 3.43Å; A300-T306 PolarHBondContact O-OG1 2.96Å; S303-T306 PolarHBondContact O-N 3.2Å; S303-T306 WeakPolarHBondContact OG-CB 3.27Å; S303-T306 PolarHBondContact OG-N 2.87Å; S303-T306 PolarHBondContact OG-OG1 2.92Å; T304-T306 PolarHBondContact O-N 3.15Å; T306-A309 PolarHBondContact O-N 3.35Å; T306-K310 VanDerWaalsContact O-CB 3.3Å; T306-K310 WeakPolarHBondContact O-CB 3.5Å; T306-K310 PolarHBondContact O-N 3.47Å
307	A	98.5	Very high	98.4	Very high	7 Å²	7	22.9 Å²	22.9	6%	0.058	13%	0.127	C	C	.	.	H	α-helix	trans	-62.9	-46.5	-179	0	0	0	0	0	112.3	V179 S303 T304 L311	V179-A307 HydrophobicContact CB-CB 3.94Å; V179-A307 HydrophobicContact CG1-CB 4.11Å; S303-A307 WeakPolarHBondContact O-CB 3.48Å; S303-A307 PolarHBondContact O-N 3.21Å; T304-A307 PolarHBondContact O-N 2.71Å; A307-L311 WeakPolarHBondContact O-CB 3.31Å; A307-L311 PolarHBondContact O-N 3.42Å
308	M	98.5	Very high	98.4	Very high	64 Å²	64	24 Å²	24	32%	0.315	13%	0.131	S	C	.	.	H	α-helix	trans	-65.2	-44.9	177	-70.7	-179.1	73.1	0	0	111.8	V179 L283 T304 K310 L311 A312	V179-M308 HydrophobicContact CG2-CG 4.09Å; L283-M308 HydrophobicContact CD1-CB 4.38Å; L283-M308 HydrophobicContact CD2-CB 4.27Å; L283-M308 HydrophobicContact CD2-CE 4.21Å; T304-M308 HydrophobicContact CG2-CG 3.85Å; T304-M308 HydrophobicContact CG2-SD 3.43Å; T304-M308 WeakPolarHBondContact CG2-SD 3.37Å; T304-M308 VanDerWaalsContact O-CB 3.25Å; T304-M308 WeakPolarHBondContact O-CB 3.49Å; T304-M308 VanDerWaalsContact O-CG 3.23Å; T304-M308 WeakPolarHBondContact O-CG 3.09Å; T304-M308 PolarHBondContact O-N 2.97Å; M308-K310 PolarHBondContact O-N 3.09Å; M308-L311 PolarHBondContact O-N 2.83Å; M308-A312 VanDerWaalsContact O-CB 3.3Å; M308-A312 WeakPolarHBondContact O-CB 3.05Å; M308-A312 PolarHBondContact O-N 3.35Å
309	A	98.7	Very high	98.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.2	-43.3	179.2	0	0	0	0	0	112.2	W236 L283 L284 C287 E305 T306 L313	W236-A309 HydrophobicContact CH2-CB 4.08Å; L283-A309 HydrophobicContact CB-CB 3.94Å; L284-A309 HydrophobicContact CD2-CB 4.31Å; C287-A309 HydrophobicContact CB-CB 3.66Å; E305-A309 WeakPolarHBondContact O-CB 3.26Å; E305-A309 PolarHBondContact O-N 3.32Å; E305-A309 VanDerWaalsContact O-N 3.09Å; T306-A309 PolarHBondContact O-N 3.35Å; A309-L313 PolarHBondContact O-N 3.46Å; A309-L313 VanDerWaalsContact O-N 3.14Å
310	K	98.7	Very high	98.3	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.009	12%	0.117	C	C	.	.	H	α-helix	trans	-64.8	-44.9	175.7	-172.1	75.6	60.9	60.2	0	111.3	Q186 L233 W236 E240 T306 M308 L313 T314	Q186-K310 HydrophobicContact CB-CG 4.33Å; Q186-K310 HydrophobicContact CG-CG 4.35Å; Q186-K310 VanDerWaalsContact NE2-C 3.29Å; Q186-K310 VanDerWaalsContact NE2-CG 3.31Å; Q186-K310 PolarHBondContact NE2-O 3.29Å; L233-K310 HydrophobicContact CD1-CD 3.42Å; L233-K310 VanDerWaalsContact CD1-CD 3.42Å; L233-K310 HydrophobicContact CD1-CG 4.44Å; W236-K310 HydrophobicContact CD2-CD 3.98Å; W236-K310 HydrophobicContact CE3-CD 3.97Å; W236-K310 HydrophobicContact CG-CD 4.47Å; W236-K310 VanDerWaalsContact CG-CE 3.43Å; W236-K310 HydrophobicContact CH2-CB 4.2Å; W236-K310 HydrophobicContact CH2-CD 4.34Å; W236-K310 HydrophobicContact CZ2-CB 4.38Å; W236-K310 HydrophobicContact CZ2-CD 4.35Å; W236-K310 HydrophobicContact CZ3-CD 4.15Å; E240-K310 IonicContact OE1-NZ 2.68Å; E240-K310 PolarHBondContact OE1-NZ 3.06Å; E240-K310 IonicContact OE2-NZ 3.96Å; E240-K310 PolarHBondContact OE2-NZ 3.33Å; T306-K310 VanDerWaalsContact O-CB 3.3Å; T306-K310 WeakPolarHBondContact O-CB 3.5Å; T306-K310 PolarHBondContact O-N 3.47Å; M308-K310 PolarHBondContact O-N 3.09Å; K310-L313 PolarHBondContact O-N 3.18Å; K310-T314 PolarHBondContact O-N 3.3Å; K310-T314 PolarHBondContact O-OG1 3.01Å; K310-T314 VanDerWaalsContact O-OG1 3.13Å
311	L	98.6	Very high	98.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.5	-42.3	179.2	-175.4	63.3	0	0	0	111.7	L7 L172 A175 N176 V179 Q186 A307 M308 L313 T314 E315	L7-L311 HydrophobicContact CD2-CD1 4.28Å; L172-L311 HydrophobicContact CD2-CD1 4.15Å; A175-L311 VanDerWaalsContact C-CD2 3.49Å; A175-L311 HydrophobicContact CB-CD1 3.86Å; A175-L311 HydrophobicContact CB-CD2 3.81Å; N176-L311 HydrophobicContact CB-CD2 4.17Å; V179-L311 HydrophobicContact CG1-CD2 4.21Å; V179-L311 HydrophobicContact CG2-CD2 3.63Å; Q186-L311 VanDerWaalsContact NE2-N 3.18Å; A307-L311 WeakPolarHBondContact O-CB 3.31Å; A307-L311 PolarHBondContact O-N 3.42Å; M308-L311 PolarHBondContact O-N 2.83Å; L311-L313 VanDerWaalsContact C-N 3.29Å; L311-L313 PolarHBondContact O-N 2.96Å; L311-T314 PolarHBondContact O-N 2.9Å; L311-E315 WeakPolarHBondContact O-CB 3.38Å; L311-E315 PolarHBondContact O-N 3.2Å
312	A	98.5	Very high	98.2	Very high	14 Å²	14	23.3 Å²	23.3	12%	0.116	13%	0.127	C	C	.	.	H	α-helix	trans	-59.8	-38.7	175.3	0	0	0	0	0	112.2	L280 L283 M308 W316	L280-A312 HydrophobicContact CD1-CB 4.06Å; L283-A312 HydrophobicContact CD1-CB 3.55Å; M308-A312 VanDerWaalsContact O-CB 3.3Å; M308-A312 WeakPolarHBondContact O-CB 3.05Å; M308-A312 PolarHBondContact O-N 3.35Å; A312-W316 WeakPolarHBondContact O-CB 3.39Å; A312-W316 PolarHBondContact O-N 3.26Å
313	L	98.7	Very high	98.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67.7	-46.9	175	178.9	56.7	0	0	0	111.8	L229 L233 W236 V261 L280 A309 K310 L311 E315 W316 L317	L229-L313 HydrophobicContact CD2-CD1 4.39Å; L233-L313 HydrophobicContact CB-CD2 4.22Å; L233-L313 HydrophobicContact CD1-CD2 3.94Å; L233-L313 HydrophobicContact CD1-CG 4.33Å; W236-L313 HydrophobicContact CE3-CD2 3.98Å; W236-L313 HydrophobicContact CZ3-CD2 3.96Å; V261-L313 HydrophobicContact CG1-CD1 3.88Å; V261-L313 HydrophobicContact CG1-CD2 4.2Å; V261-L313 HydrophobicContact CG2-CD2 3.57Å; L280-L313 HydrophobicContact CD1-CB 3.96Å; L280-L313 HydrophobicContact CD2-CD1 4.19Å; A309-L313 PolarHBondContact O-N 3.46Å; A309-L313 VanDerWaalsContact O-N 3.14Å; K310-L313 PolarHBondContact O-N 3.18Å; L311-L313 VanDerWaalsContact C-N 3.29Å; L311-L313 PolarHBondContact O-N 2.96Å; L313-E315 PolarHBondContact O-N 3.15Å; L313-W316 PolarHBondContact O-N 3.49Å; L313-L317 WeakPolarHBondContact O-CB 3.48Å; L313-L317 PolarHBondContact O-N 3.47Å
314	T	98.5	Very high	98.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.8	-48.3	176.5	-59.6	0	0	0	0	110.9	L172 Q186 K310 L311 L317 V318	L172-T314 HydrophobicContact CD2-CG2 4.36Å; Q186-T314 PolarHBondContact NE2-OG1 2.98Å; Q186-T314 PolarHBondContact OE1-OG1 3.37Å; K310-T314 PolarHBondContact O-N 3.3Å; K310-T314 PolarHBondContact O-OG1 3.01Å; K310-T314 VanDerWaalsContact O-OG1 3.13Å; L311-T314 PolarHBondContact O-N 2.9Å; T314-L317 PolarHBondContact O-N 3.01Å; T314-V318 HydrophobicContact CG2-CG2 4.23Å; T314-V318 WeakPolarHBondContact O-CB 3.41Å; T314-V318 VanDerWaalsContact O-CG2 3.25Å; T314-V318 WeakPolarHBondContact O-CG2 3.31Å; T314-V318 PolarHBondContact O-N 2.96Å
315	E	98.2	Very high	98.2	Very high	68 Å²	68	34.1 Å²	34.1	32%	0.318	18%	0.184	S	C	.	.	H	α-helix	trans	-63.2	-45.4	178.1	177.6	172	-174.7	0	0	111.9	L172 N176 L311 L313 L317 V318 S319	L172-E315 HydrophobicContact CD1-CB 4.23Å; L172-E315 HydrophobicContact CD1-CG 4.15Å; L172-E315 HydrophobicContact CD2-CB 4.41Å; N176-E315 PolarHBondContact ND2-OE2 2.91Å; L311-E315 WeakPolarHBondContact O-CB 3.38Å; L311-E315 PolarHBondContact O-N 3.2Å; L313-E315 PolarHBondContact O-N 3.15Å; E315-L317 VanDerWaalsContact C-N 3.29Å; E315-L317 PolarHBondContact O-N 3.43Å; E315-V318 PolarHBondContact O-N 2.78Å; E315-S319 VanDerWaalsContact O-CB 3.24Å; E315-S319 WeakPolarHBondContact O-CB 3.5Å; E315-S319 PolarHBondContact O-N 3.05Å; E315-S319 PolarHBondContact O-OG 3.46Å
316	W	98.3	Very high	98.2	Very high	17 Å²	17	31.4 Å²	31.4	6%	0.064	17%	0.171	C	C	.	.	H	α-helix	trans	-60.4	-39.7	179.9	-165.2	92.6	0	0	0	112.1	L229 L265 V272 A276 L280 A312 L313 K320 A321 W322	L229-W316 HydrophobicContact CD1-CE3 3.8Å; L229-W316 HydrophobicContact CD1-CH2 4.36Å; L229-W316 HydrophobicContact CD1-CZ3 3.29Å; L265-W316 HydrophobicContact CD2-CH2 4.02Å; L265-W316 HydrophobicContact CD2-CZ2 4.28Å; L265-W316 HydrophobicContact CD2-CZ3 4.46Å; V272-W316 HydrophobicContact CG1-CH2 4.29Å; V272-W316 HydrophobicContact CG1-CZ2 4.17Å; A276-W316 PolarHBondContact O-NE1 3.28Å; L280-W316 HydrophobicContact CD2-CB 4.38Å; L280-W316 HydrophobicContact CD2-CD2 4.38Å; L280-W316 HydrophobicContact CD2-CG 4.17Å; A312-W316 WeakPolarHBondContact O-CB 3.39Å; A312-W316 PolarHBondContact O-N 3.26Å; L313-W316 PolarHBondContact O-N 3.49Å; W316-K320 PolarHBondContact O-N 2.83Å; W316-A321 HydrophobicContact CB-CB 4.37Å; W316-A321 VanDerWaalsContact CD1-CB 3.49Å; W316-A321 HydrophobicContact CD2-CB 4.29Å; W316-A321 HydrophobicContact CG-CB 3.82Å; W316-A321 PolarHBondContact O-N 2.79Å; W316-W322 HydrophobicContact CD2-CE3 4.17Å; W316-W322 AromaticContact CE3-CE3 3.54Å; W316-W322 HydrophobicContact CE3-CE3 3.54Å; W316-W322 AromaticContact CE3-CZ3 3.62Å; W316-W322 HydrophobicContact CE3-CZ3 3.62Å; W316-W322 HydrophobicContact CH2-CB 3.87Å; W316-W322 HydrophobicContact CH2-CD2 4.02Å; W316-W322 AromaticContact CH2-CE3 3.36Å; W316-W322 HydrophobicContact CH2-CE3 3.36Å; W316-W322 HydrophobicContact CH2-CG 4.28Å; W316-W322 HydrophobicContact CH2-CZ3 4.13Å; W316-W322 HydrophobicContact CZ2-CB 3.86Å; W316-W322 HydrophobicContact CZ2-CE3 4.01Å; W316-W322 HydrophobicContact CZ3-CD2 4.09Å; W316-W322 AromaticContact CZ3-CE3 3.06Å; W316-W322 HydrophobicContact CZ3-CE3 3.06Å; W316-W322 AromaticContact CZ3-CZ3 3.36Å; W316-W322 HydrophobicContact CZ3-CZ3 3.36Å
317	L	98.1	Very high	98.2	Very high	3 Å²	3	36 Å²	36	2%	0.016	20%	0.196	C	C	.	.	H	α-helix	trans	-71.6	-53.2	176.9	177.3	56	0	0	0	112.4	T75 L229 E230 L233 L313 T314 E315 S319 K320 W322	T75-L317 HydrophobicContact CG2-CD2 3.53Å; T75-L317 HydrophobicContact CG2-CG 4.13Å; L229-L317 HydrophobicContact CB-CD1 3.97Å; L229-L317 HydrophobicContact CB-CD2 4.17Å; L229-L317 HydrophobicContact CD1-CD1 4.41Å; E230-L317 HydrophobicContact CG-CD2 3.83Å; L233-L317 HydrophobicContact CD2-CD2 4.28Å; L313-L317 WeakPolarHBondContact O-CB 3.48Å; L313-L317 PolarHBondContact O-N 3.47Å; T314-L317 PolarHBondContact O-N 3.01Å; E315-L317 VanDerWaalsContact C-N 3.29Å; E315-L317 PolarHBondContact O-N 3.43Å; L317-S319 PolarHBondContact O-N 3.05Å; L317-K320 PolarHBondContact O-N 2.91Å; L317-W322 HydrophobicContact CD1-CH2 4.19Å; L317-W322 HydrophobicContact CD1-CZ3 4.43Å
318	V	96.6	Very high	98.1	Very high	39 Å²	39	39.7 Å²	39.7	24%	0.236	23%	0.226	C	C	.	.	H	α-helix	trans	-65.8	-37.7	-175.5	172.1	0	0	0	0	111.8	T75 L78 T168 L172 T314 E315 K320	T75-V318 HydrophobicContact CG2-CG2 3.95Å; L78-V318 HydrophobicContact CD2-CG1 3.94Å; L78-V318 HydrophobicContact CD2-CG2 3.82Å; T168-V318 HydrophobicContact CG2-CG1 4.06Å; L172-V318 HydrophobicContact CD1-CB 4.39Å; L172-V318 HydrophobicContact CD1-CG1 4.23Å; T314-V318 HydrophobicContact CG2-CG2 4.23Å; T314-V318 WeakPolarHBondContact O-CB 3.41Å; T314-V318 VanDerWaalsContact O-CG2 3.25Å; T314-V318 WeakPolarHBondContact O-CG2 3.31Å; T314-V318 PolarHBondContact O-N 2.96Å; E315-V318 PolarHBondContact O-N 2.78Å; V318-K320 VanDerWaalsContact C-N 3.29Å; V318-K320 PolarHBondContact O-N 3.45Å
319	S	96.5	Very high	98.1	Very high	50 Å²	50	43.6 Å²	43.6	35%	0.35	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-2.8	178	68.2	0	0	0	0	114.2	E315 L317 A321	E315-S319 VanDerWaalsContact O-CB 3.24Å; E315-S319 WeakPolarHBondContact O-CB 3.5Å; E315-S319 PolarHBondContact O-N 3.05Å; E315-S319 PolarHBondContact O-OG 3.46Å; L317-S319 PolarHBondContact O-N 3.05Å; S319-A321 VanDerWaalsContact C-N 3.28Å; S319-A321 PolarHBondContact O-N 2.91Å
320	K	97.8	Very high	98.1	Very high	66 Å²	66	44 Å²	44	29%	0.287	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	48.3	-172.2	-54.2	-178.2	-170.2	-74.4	0	112.1	E226 W316 L317 V318 W322 Q323	E226-K320 IonicContact OE1-NZ 3.97Å; E226-K320 PolarHBondContact OE1-NZ 2.88Å; E226-K320 IonicContact OE2-NZ 3.69Å; E226-K320 PolarHBondContact OE2-NZ 2.82Å; W316-K320 PolarHBondContact O-N 2.83Å; L317-K320 PolarHBondContact O-N 2.91Å; V318-K320 VanDerWaalsContact C-N 3.29Å; V318-K320 PolarHBondContact O-N 3.45Å; K320-W322 HydrophobicContact CB-CD2 4.46Å; K320-W322 HydrophobicContact CB-CH2 4.02Å; K320-W322 HydrophobicContact CB-CZ2 3.8Å; K320-W322 HydrophobicContact CB-CZ3 4.39Å; K320-W322 HydrophobicContact CG-CH2 4.03Å; K320-W322 HydrophobicContact CG-CZ2 3.92Å; K320-W322 PolarHBondContact O-N 3.41Å; K320-Q323 HydrophobicContact CB-CG 3.99Å; K320-Q323 WeakPolarHBondContact O-CB 3.32Å; K320-Q323 WeakPolarHBondContact O-CG 3.39Å; K320-Q323 PolarHBondContact O-N 2.79Å
321	A	98	Very high	98	Very high	25 Å²	25	48.8 Å²	48.8	21%	0.207	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-10.4	-167.5	0	0	0	0	0	115.1	W316 S319 F325	W316-A321 HydrophobicContact CB-CB 4.37Å; W316-A321 VanDerWaalsContact CD1-CB 3.49Å; W316-A321 HydrophobicContact CD2-CB 4.29Å; W316-A321 HydrophobicContact CG-CB 3.82Å; W316-A321 PolarHBondContact O-N 2.79Å; S319-A321 VanDerWaalsContact C-N 3.28Å; S319-A321 PolarHBondContact O-N 2.91Å; A321-F325 VanDerWaalsContact O-CD2 3.29Å; A321-F325 WeakPolarHBondContact O-CD2 3.12Å; A321-F325 WeakPolarHBondContact O-CE2 3.34Å
322	W	98.4	Very high	98	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-28.5	171.6	57.2	89.4	0	0	0	113.6	E222 L225 E226 L229 V272 W316 L317 K320 F325	E222-W322 HydrophobicContact CG-CZ2 4.19Å; E222-W322 PolarHBondContact OE1-NE1 3.15Å; L225-W322 HydrophobicContact CD2-CD2 3.86Å; L225-W322 HydrophobicContact CD2-CE3 4.36Å; L225-W322 HydrophobicContact CD2-CG 4.12Å; L225-W322 HydrophobicContact CD2-CZ2 4.19Å; E226-W322 HydrophobicContact CG-CH2 3.77Å; E226-W322 HydrophobicContact CG-CZ2 3.76Å; L229-W322 HydrophobicContact CD1-CZ3 4.5Å; V272-W322 HydrophobicContact CG1-CB 3.72Å; V272-W322 HydrophobicContact CG2-CB 3.98Å; V272-W322 HydrophobicContact CG2-CG 4.36Å; W316-W322 HydrophobicContact CD2-CE3 4.17Å; W316-W322 AromaticContact CE3-CE3 3.54Å; W316-W322 HydrophobicContact CE3-CE3 3.54Å; W316-W322 AromaticContact CE3-CZ3 3.62Å; W316-W322 HydrophobicContact CE3-CZ3 3.62Å; W316-W322 HydrophobicContact CH2-CB 3.87Å; W316-W322 HydrophobicContact CH2-CD2 4.02Å; W316-W322 AromaticContact CH2-CE3 3.36Å; W316-W322 HydrophobicContact CH2-CE3 3.36Å; W316-W322 HydrophobicContact CH2-CG 4.28Å; W316-W322 HydrophobicContact CH2-CZ3 4.13Å; W316-W322 HydrophobicContact CZ2-CB 3.86Å; W316-W322 HydrophobicContact CZ2-CE3 4.01Å; W316-W322 HydrophobicContact CZ3-CD2 4.09Å; W316-W322 AromaticContact CZ3-CE3 3.06Å; W316-W322 HydrophobicContact CZ3-CE3 3.06Å; W316-W322 AromaticContact CZ3-CZ3 3.36Å; W316-W322 HydrophobicContact CZ3-CZ3 3.36Å; L317-W322 HydrophobicContact CD1-CH2 4.19Å; L317-W322 HydrophobicContact CD1-CZ3 4.43Å; K320-W322 HydrophobicContact CB-CD2 4.46Å; K320-W322 HydrophobicContact CB-CH2 4.02Å; K320-W322 HydrophobicContact CB-CZ2 3.8Å; K320-W322 HydrophobicContact CB-CZ3 4.39Å; K320-W322 HydrophobicContact CG-CH2 4.03Å; K320-W322 HydrophobicContact CG-CZ2 3.92Å; K320-W322 PolarHBondContact O-N 3.41Å; W322-F325 WeakPolarHBondContact O-CB 3.35Å; W322-F325 PolarHBondContact O-N 2.73Å
323	Q	98.4	Very high	98	Very high	86 Å²	86	55 Å²	55	40%	0.402	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-56.2	-44.9	-169.9	-70.9	-174.2	-19.8	0	0	113.9	E222 K320 F325 L326	E222-Q323 WeakPolarHBondContact OE1-CG 3.35Å; E222-Q323 PolarHBondContact OE1-NE2 2.57Å; K320-Q323 HydrophobicContact CB-CG 3.99Å; K320-Q323 WeakPolarHBondContact O-CB 3.32Å; K320-Q323 WeakPolarHBondContact O-CG 3.39Å; K320-Q323 PolarHBondContact O-N 2.79Å; Q323-F325 PolarHBondContact O-N 2.64Å; Q323-F325 VanDerWaalsContact O-N 3.09Å; Q323-L326 PolarHBondContact O-N 2.86Å
324	P	98.2	Very high	98	Very high	114 Å²	114	55.2 Å²	55.2	74%	0.74	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-65.3	-14.7	178.6	-22.4	35.4	0	0	0	114.5
325	F	98.3	Very high	98	Very high	86 Å²	86	59 Å²	59	38%	0.377	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-91.8	-5.6	-179.3	-66	-92.6	0	0	0	113.5	P273 K275 A276 A321 W322 Q323	P273-F325 HydrophobicContact CG-CB 4.31Å; K275-F325 HydrophobicContact CD-CD1 4.35Å; K275-F325 HydrophobicContact CG-CD1 4.05Å; K275-F325 HydrophobicContact CG-CE1 4.24Å; A276-F325 HydrophobicContact CB-CB 4.02Å; A276-F325 HydrophobicContact CB-CD1 4.03Å; A276-F325 HydrophobicContact CB-CD2 3.64Å; A276-F325 HydrophobicContact CB-CE1 4.41Å; A276-F325 HydrophobicContact CB-CE2 4.05Å; A276-F325 HydrophobicContact CB-CG 3.63Å; A276-F325 HydrophobicContact CB-CZ 4.42Å; A321-F325 VanDerWaalsContact O-CD2 3.29Å; A321-F325 WeakPolarHBondContact O-CD2 3.12Å; A321-F325 WeakPolarHBondContact O-CE2 3.34Å; W322-F325 WeakPolarHBondContact O-CB 3.35Å; W322-F325 PolarHBondContact O-N 2.73Å; Q323-F325 PolarHBondContact O-N 2.64Å; Q323-F325 VanDerWaalsContact O-N 3.09Å
326	L	98.3	Very high	98	Very high	15 Å²	15	59.5 Å²	59.5	8%	0.079	34%	0.338	C	S	.	.			trans	-85.5	117.6	-175.3	-53.7	-174.2	0	0	0	111.3	I271 V272 Q323 A330 Q331 I334	I271-L326 HydrophobicContact CG2-CD2 4.4Å; V272-L326 HydrophobicContact CG2-CD2 4.37Å; Q323-L326 PolarHBondContact O-N 2.86Å; L326-A330 HydrophobicContact CB-CB 4.07Å; L326-A330 HydrophobicContact CD2-CB 4.12Å; L326-Q331 HydrophobicContact CB-CG 3.72Å; L326-Q331 HydrophobicContact CD1-CG 4.43Å; L326-Q331 PolarHBondContact O-NE2 3.35Å; L326-I334 HydrophobicContact CD1-CB 4.38Å; L326-I334 HydrophobicContact CD1-CD1 3.75Å; L326-I334 HydrophobicContact CD1-CG2 3.85Å
327	D	97.8	Very high	98	Very high	100 Å²	100	60.5 Å²	60.5	54%	0.535	35%	0.348	S	S	.	.			trans	-71.9	171.5	165.4	70.9	29.6	0	0	0	111.4	K329 A330 Q331	D327-K329 PolarHBondContact O-N 3.34Å; D327-K329 VanDerWaalsContact O-N 3.16Å; D327-K329 WeakPolarHBondContact OD1-CA 3.39Å; D327-K329 WeakPolarHBondContact OD1-CB 3.32Å; D327-K329 PolarHBondContact OD1-N 2.97Å; D327-A330 PolarHBondContact O-N 3.33Å; D327-A330 PolarHBondContact OD1-N 3.33Å; D327-Q331 WeakPolarHBondContact O-CG 3.4Å; D327-Q331 PolarHBondContact O-N 3.2Å
328	A	97.6	Very high	98	Very high	84 Å²	84	60.5 Å²	60.5	69%	0.694	35%	0.348	S	S	*	.	H	α-helix	trans	-57.3	-32.3	-178.4	0	0	0	0	0	113.9	G332	A328-G332 PolarHBondContact O-N 3.11Å
329	K	97.9	Very high	98.1	Very high	147 Å²	147	61.4 Å²	61.4	64%	0.639	35%	0.349	S	S	*	.	H	α-helix	trans	-73.1	-39.7	177.2	178.4	-177.9	180	178.8	0	110.9	D327 K333	D327-K329 PolarHBondContact O-N 3.34Å; D327-K329 VanDerWaalsContact O-N 3.16Å; D327-K329 WeakPolarHBondContact OD1-CA 3.39Å; D327-K329 WeakPolarHBondContact OD1-CB 3.32Å; D327-K329 PolarHBondContact OD1-N 2.97Å; K329-K333 WeakPolarHBondContact O-CG 3.47Å; K329-K333 PolarHBondContact O-N 3.12Å
330	A	98.1	Very high	98.1	Very high	9 Å²	9	66.5 Å²	66.5	7%	0.074	36%	0.36	C	S	.	.	H	α-helix	trans	-67.4	-42.2	175.8	0	0	0	0	0	111.2	I271 L326 D327 K333 I334	I271-A330 HydrophobicContact CG2-CB 4.19Å; L326-A330 HydrophobicContact CB-CB 4.07Å; L326-A330 HydrophobicContact CD2-CB 4.12Å; D327-A330 PolarHBondContact O-N 3.33Å; D327-A330 PolarHBondContact OD1-N 3.33Å; A330-K333 PolarHBondContact O-N 2.99Å; A330-I334 WeakPolarHBondContact O-CB 3.4Å; A330-I334 PolarHBondContact O-N 3.36Å
331	Q	98.1	Very high	98.1	Very high	102 Å²	102	64.4 Å²	64.4	48%	0.477	35%	0.351	S	S	.	.	H	α-helix	trans	-58.5	-48.3	173.2	-69.3	173.8	19.1	0	0	111.3	L326 D327 K333 I334 S335	L326-Q331 HydrophobicContact CB-CG 3.72Å; L326-Q331 HydrophobicContact CD1-CG 4.43Å; L326-Q331 PolarHBondContact O-NE2 3.35Å; D327-Q331 WeakPolarHBondContact O-CG 3.4Å; D327-Q331 PolarHBondContact O-N 3.2Å; Q331-K333 VanDerWaalsContact C-N 3.25Å; Q331-K333 PolarHBondContact O-N 3.21Å; Q331-I334 PolarHBondContact O-N 3.18Å; Q331-S335 PolarHBondContact O-N 2.83Å; Q331-S335 VanDerWaalsContact O-N 3.1Å; Q331-S335 PolarHBondContact O-OG 2.82Å
332	G	98.1	Very high	98.2	Very high	52 Å²	52	63.2 Å²	63.2	54%	0.536	34%	0.341	S	S	.	.	H	α-helix	trans	-60.3	-33.3	177.2	0	0	0	0	0	113.8	A328	A328-G332 PolarHBondContact O-N 3.11Å
333	K	98.3	Very high	98.1	Very high	92 Å²	92	63.9 Å²	63.9	40%	0.4	35%	0.345	S	S	.	.	H	α-helix	trans	-77.4	-38.8	175.5	-73.7	178.7	174.6	-171.8	0	113.3	V221 I271 K329 A330 Q331 S335 D336	V221-K333 WeakPolarHBondContact CG2-O 3.44Å; I271-K333 HydrophobicContact CD1-CB 3.99Å; I271-K333 HydrophobicContact CG1-CB 4.03Å; I271-K333 HydrophobicContact CG1-CD 4.19Å; K329-K333 WeakPolarHBondContact O-CG 3.47Å; K329-K333 PolarHBondContact O-N 3.12Å; A330-K333 PolarHBondContact O-N 2.99Å; Q331-K333 VanDerWaalsContact C-N 3.25Å; Q331-K333 PolarHBondContact O-N 3.21Å; K333-S335 VanDerWaalsContact C-N 3.26Å; K333-S335 PolarHBondContact O-N 3.35Å; K333-D336 PolarHBondContact O-N 2.86Å
334	I	98.4	Very high	98.1	Very high	5 Å²	5	64.2 Å²	64.2	3%	0.026	35%	0.349	C	S	.	.	H	α-helix	trans	-70.2	-29.5	-176.4	-144.3	177.2	0	0	0	111.2	V221 E222 L225 I271 L326 A330 Q331	V221-I334 CarbonylContact C-O 3.59Å; V221-I334 WeakPolarHBondContact CA-O 3.27Å; V221-I334 HydrophobicContact CB-CG1 4.46Å; V221-I334 WeakPolarHBondContact CB-O 3.31Å; V221-I334 PolarHBondContact N-O 3.37Å; E222-I334 HydrophobicContact CB-CD1 4.07Å; E222-I334 HydrophobicContact CB-CG1 3.87Å; E222-I334 HydrophobicContact CB-CG2 4.48Å; E222-I334 HydrophobicContact CG-CD1 4.09Å; E222-I334 HydrophobicContact CG-CG1 4.45Å; E222-I334 PolarHBondContact N-O 3.15Å; L225-I334 HydrophobicContact CD2-CD1 4.47Å; I271-I334 HydrophobicContact CG2-CB 3.78Å; I271-I334 HydrophobicContact CG2-CD1 4.11Å; I271-I334 HydrophobicContact CG2-CG1 3.89Å; L326-I334 HydrophobicContact CD1-CB 4.38Å; L326-I334 HydrophobicContact CD1-CD1 3.75Å; L326-I334 HydrophobicContact CD1-CG2 3.85Å; A330-I334 WeakPolarHBondContact O-CB 3.4Å; A330-I334 PolarHBondContact O-N 3.36Å; Q331-I334 PolarHBondContact O-N 3.18Å
335	S	98.3	Very high	98.1	Very high	78 Å²	78	59.9 Å²	59.9	55%	0.545	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	3.1	175.7	-52.7	0	0	0	0	114.3	Q331 K333	Q331-S335 PolarHBondContact O-N 2.83Å; Q331-S335 VanDerWaalsContact O-N 3.1Å; Q331-S335 PolarHBondContact O-OG 2.82Å; K333-S335 VanDerWaalsContact C-N 3.26Å; K333-S335 PolarHBondContact O-N 3.35Å
336	D	98	Very high	98.1	Very high	79 Å²	79	55.8 Å²	55.8	42%	0.422	30%	0.301	S	S	.	.	S	Bend	trans	-85.3	173.3	174.5	-156.9	-13.9	0	0	0	110.5	D220 V221 K333 F338	D220-D336 CarbonylContact C-O 3.52Å; D220-D336 WeakPolarHBondContact CA-O 3.29Å; D220-D336 WeakPolarHBondContact CB-O 3.45Å; V221-D336 WeakPolarHBondContact CG2-O 3.3Å; V221-D336 PolarHBondContact N-O 3.47Å; K333-D336 PolarHBondContact O-N 2.86Å; D336-F338 PolarHBondContact O-N 3.27Å
337	S	98.4	Very high	98.1	Very high	39 Å²	39	57 Å²	57	27%	0.273	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-61.7	124.4	-176.3	175.5	0	0	0	0	113.3	K339 R340 F341	S337-K339 VanDerWaalsContact C-N 3.3Å; S337-K339 PolarHBondContact O-N 2.85Å; S337-K339 PolarHBondContact OG-N 3.24Å; S337-R340 PolarHBondContact O-N 2.97Å; S337-R340 PolarHBondContact OG-N 3.02Å; S337-F341 PolarHBondContact O-N 2.97Å; S337-F341 VanDerWaalsContact O-N 3.12Å
338	F	98.6	Very high	98.1	Very high	3 Å²	3	59 Å²	59	1%	0.013	31%	0.311	C	S	.	.	H	α-helix	trans	-62.4	-36.1	172.9	-172.5	-125.7	0	0	0	112.6	V215 A219 D220 V221 F268 D336 R340 F341 A342 L381 L382 Y385	V215-F338 HydrophobicContact CB-CD1 4.07Å; V215-F338 HydrophobicContact CB-CE1 4.2Å; V215-F338 HydrophobicContact CG1-CD1 4.35Å; V215-F338 HydrophobicContact CG2-CD1 4.02Å; V215-F338 HydrophobicContact CG2-CE1 3.65Å; A219-F338 WeakPolarHBondContact O-CB 3.2Å; A219-F338 PolarHBondContact O-N 3.24Å; D220-F338 WeakPolarHBondContact O-CB 3.23Å; V221-F338 HydrophobicContact CG1-CD2 4.46Å; F268-F338 HydrophobicContact CE1-CE2 4.03Å; F268-F338 AromaticContact CZ-CE2 3.89Å; F268-F338 HydrophobicContact CZ-CE2 3.89Å; F268-F338 HydrophobicContact CZ-CZ 4.48Å; D336-F338 PolarHBondContact O-N 3.27Å; F338-R340 VanDerWaalsContact C-N 3.35Å; F338-R340 PolarHBondContact O-N 3.34Å; F338-F341 AromaticContact CD2-CD1 3.82Å; F338-F341 HydrophobicContact CD2-CD1 3.82Å; F338-F341 HydrophobicContact CD2-CG 4.48Å; F338-F341 AromaticContact CE2-CD1 3.71Å; F338-F341 HydrophobicContact CE2-CD1 3.71Å; F338-F341 HydrophobicContact CE2-CE1 4.05Å; F338-F341 WeakPolarHBondContact O-CB 3.48Å; F338-F341 PolarHBondContact O-N 3.23Å; F338-A342 WeakPolarHBondContact O-CB 3.38Å; F338-A342 PolarHBondContact O-N 3.14Å; F338-L381 WeakPolarHBondContact CZ-O 3.32Å; F338-L382 HydrophobicContact CE2-CD2 4.24Å; F338-L382 HydrophobicContact CZ-CD2 4.14Å; F338-Y385 HydrophobicContact CB-CE2 4.4Å; F338-Y385 AromaticContact CD1-CE2 3.57Å; F338-Y385 HydrophobicContact CD1-CE2 3.57Å; F338-Y385 AromaticContact CD1-CZ 3.99Å; F338-Y385 HydrophobicContact CE1-CE2 4.22Å; F338-Y385 HydrophobicContact CG-CE2 4.3Å
339	K	98.1	Very high	98.1	Very high	58 Å²	58	55.9 Å²	55.9	25%	0.252	28%	0.281	S	S	.	.	H	α-helix	trans	-57.5	-45.8	175.6	-167.6	-85.9	177.7	-172.5	0	112	S337 A342 D343 Y385	S337-K339 VanDerWaalsContact C-N 3.3Å; S337-K339 PolarHBondContact O-N 2.85Å; S337-K339 PolarHBondContact OG-N 3.24Å; K339-A342 PolarHBondContact O-N 3.33Å; K339-D343 WeakPolarHBondContact CE-OD2 3.29Å; K339-D343 IonicContact NZ-OD1 2.68Å; K339-D343 IonicContact NZ-OD2 3.9Å; K339-D343 PolarHBondContact NZ-OD2 3.32Å; K339-D343 PolarHBondContact O-N 2.86Å; K339-D343 VanDerWaalsContact O-N 3.1Å; K339-Y385 VanDerWaalsContact CA-CE2 3.42Å; K339-Y385 HydrophobicContact CB-CD1 4.32Å; K339-Y385 HydrophobicContact CB-CD2 3.75Å; K339-Y385 HydrophobicContact CB-CE1 4.3Å; K339-Y385 HydrophobicContact CB-CE2 3.69Å; K339-Y385 HydrophobicContact CB-CG 4.05Å; K339-Y385 HydrophobicContact CG-CD1 4.12Å; K339-Y385 HydrophobicContact CG-CD2 3.71Å; K339-Y385 HydrophobicContact CG-CE2 4.19Å; K339-Y385 HydrophobicContact CG-CG 3.65Å
340	R	97.3	Very high	98.1	Very high	156 Å²	156	49.7 Å²	49.7	59%	0.589	26%	0.258	S	S	*	.	H	α-helix	trans	-68.3	-39	178.4	-66.7	178.4	68.4	-177.5	1.9	111.8	S337 F338 A342 I344	S337-R340 PolarHBondContact O-N 2.97Å; S337-R340 PolarHBondContact OG-N 3.02Å; F338-R340 VanDerWaalsContact C-N 3.35Å; F338-R340 PolarHBondContact O-N 3.34Å; R340-A342 VanDerWaalsContact C-N 3.31Å; R340-I344 WeakPolarHBondContact O-CD1 3.44Å; R340-I344 WeakPolarHBondContact O-CG1 3.42Å; R340-I344 PolarHBondContact O-N 3.01Å
341	F	98.3	Very high	98.1	Very high	22 Å²	22	52.2 Å²	52.2	10%	0.096	28%	0.278	C	S	.	.	H	α-helix	trans	-58.5	-45.4	172.3	172.9	-89.1	0	0	0	111.1	V221 L267 F268 I271 S337 F338 I344 H345 L382	V221-F341 HydrophobicContact CG1-CD1 4.35Å; V221-F341 HydrophobicContact CG1-CD2 4.02Å; V221-F341 HydrophobicContact CG1-CE2 4.21Å; V221-F341 HydrophobicContact CG1-CG 4.1Å; V221-F341 HydrophobicContact CG1-CZ 4.47Å; V221-F341 HydrophobicContact CG2-CB 3.65Å; V221-F341 HydrophobicContact CG2-CD2 4.15Å; V221-F341 HydrophobicContact CG2-CG 3.94Å; L267-F341 HydrophobicContact CD1-CE1 4.19Å; L267-F341 HydrophobicContact CD1-CZ 4.2Å; L267-F341 HydrophobicContact CG-CE1 4.26Å; L267-F341 HydrophobicContact CG-CZ 4.29Å; F268-F341 HydrophobicContact CD1-CE1 4.25Å; F268-F341 AromaticContact CD1-CZ 3.95Å; F268-F341 HydrophobicContact CD1-CZ 3.95Å; F268-F341 AromaticContact CE1-CE1 3.88Å; F268-F341 HydrophobicContact CE1-CE1 3.88Å; F268-F341 HydrophobicContact CE1-CZ 4.06Å; F268-F341 HydrophobicContact CZ-CE1 4.38Å; I271-F341 HydrophobicContact CD1-CD2 4.26Å; I271-F341 HydrophobicContact CD1-CE2 3.98Å; S337-F341 PolarHBondContact O-N 2.97Å; S337-F341 VanDerWaalsContact O-N 3.12Å; F338-F341 AromaticContact CD2-CD1 3.82Å; F338-F341 HydrophobicContact CD2-CD1 3.82Å; F338-F341 HydrophobicContact CD2-CG 4.48Å; F338-F341 AromaticContact CE2-CD1 3.71Å; F338-F341 HydrophobicContact CE2-CD1 3.71Å; F338-F341 HydrophobicContact CE2-CE1 4.05Å; F338-F341 WeakPolarHBondContact O-CB 3.48Å; F338-F341 PolarHBondContact O-N 3.23Å; F341-I344 PolarHBondContact O-N 2.79Å; F341-H345 AromaticContact CD2-CD2 3.9Å; F341-H345 AromaticContact CE2-CD2 3.61Å; F341-H345 AromaticContact CE2-NE2 3.39Å; F341-H345 WeakPolarHBondContact CE2-NE2 3.31Å; F341-H345 AromaticContact CZ-CD2 3.72Å; F341-H345 AromaticContact CZ-CE1 3.95Å; F341-H345 AromaticContact CZ-NE2 3.69Å; F341-H345 PolarHBondContact O-CD2 2.88Å; F341-H345 PolarHBondContact O-N 3.01Å; F341-H345 VanDerWaalsContact O-N 3.09Å; F341-L382 HydrophobicContact CD1-CD2 4.04Å; F341-L382 HydrophobicContact CE1-CD2 3.88Å
342	A	98.5	Very high	98	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.7	-48.7	-179.7	0	0	0	0	0	112.9	F338 K339 R340 I344 H345 L346 L382	F338-A342 WeakPolarHBondContact O-CB 3.38Å; F338-A342 PolarHBondContact O-N 3.14Å; K339-A342 PolarHBondContact O-N 3.33Å; R340-A342 VanDerWaalsContact C-N 3.31Å; A342-I344 VanDerWaalsContact C-N 3.26Å; A342-I344 PolarHBondContact O-N 3.08Å; A342-H345 PolarHBondContact O-N 2.75Å; A342-H345 VanDerWaalsContact O-N 3.1Å; A342-L346 WeakPolarHBondContact O-CB 3.26Å; A342-L346 VanDerWaalsContact O-CG 3.29Å; A342-L346 WeakPolarHBondContact O-CG 3.34Å; A342-L346 PolarHBondContact O-N 3.05Å; A342-L382 HydrophobicContact CB-CB 4.11Å; A342-L382 HydrophobicContact CB-CD2 3.9Å; A342-L382 WeakPolarHBondContact CB-O 3.31Å
343	D	98	Very high	98	Very high	15 Å²	15	48.3 Å²	48.3	8%	0.08	25%	0.246	C	C	.	.	H	α-helix	trans	-55.4	-41.4	178.1	-68.9	-14.7	0	0	0	113	K339 S347 Y386	K339-D343 WeakPolarHBondContact CE-OD2 3.29Å; K339-D343 IonicContact NZ-OD1 2.68Å; K339-D343 IonicContact NZ-OD2 3.9Å; K339-D343 PolarHBondContact NZ-OD2 3.32Å; K339-D343 PolarHBondContact O-N 2.86Å; K339-D343 VanDerWaalsContact O-N 3.1Å; D343-S347 PolarHBondContact O-N 3.38Å; D343-S347 PolarHBondContact O-OG 3.38Å; D343-Y386 PolarHBondContact OD1-OH 2.92Å
344	I	97.7	Very high	97.9	Very high	92 Å²	92	49.7 Å²	49.7	47%	0.472	25%	0.252	S	S	.	.	H	α-helix	trans	-65.8	-46.6	178.6	-66.4	167.4	0	0	0	110.1	R340 F341 A342 S347 R348	R340-I344 WeakPolarHBondContact O-CD1 3.44Å; R340-I344 WeakPolarHBondContact O-CG1 3.42Å; R340-I344 PolarHBondContact O-N 3.01Å; F341-I344 PolarHBondContact O-N 2.79Å; A342-I344 VanDerWaalsContact C-N 3.26Å; A342-I344 PolarHBondContact O-N 3.08Å; I344-S347 PolarHBondContact O-N 3.07Å; I344-R348 WeakPolarHBondContact O-CG 2.85Å; I344-R348 PolarHBondContact O-N 3.05Å
345	H	98.4	Very high	97.8	Very high	24 Å²	24	52.9 Å²	52.9	11%	0.111	28%	0.275	C	S	.	.	H	α-helix	trans	-76.5	-33.8	-175.8	-82.7	-102.4	0	0	0	113.1	L267 F341 A342 S347 R348 H349 L382	L267-H345 HydrophobicContact CD1-CB 3.97Å; L267-H345 WeakPolarHBondContact CD1-ND1 3.25Å; F341-H345 AromaticContact CD2-CD2 3.9Å; F341-H345 AromaticContact CE2-CD2 3.61Å; F341-H345 AromaticContact CE2-NE2 3.39Å; F341-H345 WeakPolarHBondContact CE2-NE2 3.31Å; F341-H345 AromaticContact CZ-CD2 3.72Å; F341-H345 AromaticContact CZ-CE1 3.95Å; F341-H345 AromaticContact CZ-NE2 3.69Å; F341-H345 PolarHBondContact O-CD2 2.88Å; F341-H345 PolarHBondContact O-N 3.01Å; F341-H345 VanDerWaalsContact O-N 3.09Å; A342-H345 PolarHBondContact O-N 2.75Å; A342-H345 VanDerWaalsContact O-N 3.1Å; H345-S347 VanDerWaalsContact C-N 3.26Å; H345-S347 PolarHBondContact O-N 3.07Å; H345-R348 PolarHBondContact CE1-NH1 3.08Å; H345-R348 PolarHBondContact NE2-NH1 3.44Å; H345-R348 WeakPolarHBondContact O-CB 3.43Å; H345-R348 PolarHBondContact O-N 3.35Å; H345-H349 PolarHBondContact O-CD2 3.21Å; H345-H349 PolarHBondContact O-N 2.99Å; H345-L382 HydrophobicContact CB-CD1 3.5Å; H345-L382 HydrophobicContact CB-CD2 4.45Å
346	L	98.5	Very high	97.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-53.5	-46.8	169.4	-75.5	170.4	0	0	0	110.5	A342 R348 H349 A350 I379 L382 Y386 F426 W427	A342-L346 WeakPolarHBondContact O-CB 3.26Å; A342-L346 VanDerWaalsContact O-CG 3.29Å; A342-L346 WeakPolarHBondContact O-CG 3.34Å; A342-L346 PolarHBondContact O-N 3.05Å; L346-R348 VanDerWaalsContact C-N 3.32Å; L346-R348 PolarHBondContact O-N 2.98Å; L346-H349 PolarHBondContact O-N 2.98Å; L346-A350 VanDerWaalsContact O-CB 3.24Å; L346-A350 WeakPolarHBondContact O-CB 3.41Å; L346-A350 PolarHBondContact O-N 3.31Å; L346-I379 HydrophobicContact CD2-CB 4.28Å; L346-I379 HydrophobicContact CD2-CG1 4.11Å; L346-I379 HydrophobicContact CD2-CG2 3.82Å; L346-L382 HydrophobicContact CD2-CB 3.78Å; L346-L382 HydrophobicContact CD2-CD1 4.49Å; L346-L382 HydrophobicContact CG-CB 3.89Å; L346-L382 HydrophobicContact CG-CD1 4.43Å; L346-Y386 HydrophobicContact CD1-CD2 4.42Å; L346-Y386 HydrophobicContact CD1-CE2 3.96Å; L346-F426 HydrophobicContact CD1-CE2 4.43Å; L346-F426 HydrophobicContact CD2-CZ 4.42Å; L346-W427 HydrophobicContact CB-CD2 3.78Å; L346-W427 HydrophobicContact CB-CE3 4.3Å; L346-W427 HydrophobicContact CB-CG 3.91Å; L346-W427 HydrophobicContact CB-CZ2 4.45Å; L346-W427 HydrophobicContact CD1-CB 3.7Å; L346-W427 HydrophobicContact CD1-CD2 4.23Å; L346-W427 HydrophobicContact CD1-CG 3.85Å
347	S	97.9	Very high	97.8	Very high	41 Å²	41	46.6 Å²	46.6	29%	0.287	24%	0.236	S	C	.	.	H	α-helix	trans	-61.6	-37.3	176.4	-56.2	0	0	0	0	113.1	D343 I344 H345 A351 W427	D343-S347 PolarHBondContact O-N 3.38Å; D343-S347 PolarHBondContact O-OG 3.38Å; I344-S347 PolarHBondContact O-N 3.07Å; H345-S347 VanDerWaalsContact C-N 3.26Å; H345-S347 PolarHBondContact O-N 3.07Å; S347-A351 WeakPolarHBondContact O-CB 3.43Å; S347-A351 PolarHBondContact O-N 2.84Å; S347-A351 VanDerWaalsContact O-N 3.09Å; S347-W427 PolarHBondContact OG-NE1 3.16Å
348	R	97.6	Very high	97.7	Very high	142 Å²	142	48.1 Å²	48.1	54%	0.536	25%	0.246	S	C	.	.	H	α-helix	trans	-68.4	-47.5	177.9	-69.9	176.9	-178.9	165.8	3.6	112	I344 H345 L346 A351 E352	I344-R348 WeakPolarHBondContact O-CG 2.85Å; I344-R348 PolarHBondContact O-N 3.05Å; H345-R348 PolarHBondContact CE1-NH1 3.08Å; H345-R348 PolarHBondContact NE2-NH1 3.44Å; H345-R348 WeakPolarHBondContact O-CB 3.43Å; H345-R348 PolarHBondContact O-N 3.35Å; L346-R348 VanDerWaalsContact C-N 3.32Å; L346-R348 PolarHBondContact O-N 2.98Å; R348-A351 PolarHBondContact O-N 2.74Å; R348-E352 WeakPolarHBondContact O-CG 3.41Å; R348-E352 PolarHBondContact O-N 3.48Å
349	H	98.3	Very high	97.5	Very high	17 Å²	17	53.4 Å²	53.4	8%	0.079	27%	0.271	C	S	.	.	H	α-helix	trans	-67.7	-37.7	179.1	-70.7	-72.2	0	0	0	111.7	H345 L346 A351 E352 L353 D375 S378 I379	H345-H349 PolarHBondContact O-CD2 3.21Å; H345-H349 PolarHBondContact O-N 2.99Å; L346-H349 PolarHBondContact O-N 2.98Å; H349-A351 PolarHBondContact O-N 2.79Å; H349-E352 PolarHBondContact O-N 3.43Å; H349-L353 WeakPolarHBondContact O-CG 3.35Å; H349-L353 PolarHBondContact O-N 3.36Å; H349-D375 HydrophobicContact CB-CB 4.33Å; H349-D375 IonicContact CE1-OD1 2.88Å; H349-D375 IonicContact CG-OD1 2.73Å; H349-D375 IonicContact ND1-OD1 3.35Å; H349-D375 PolarHBondContact ND1-OD1 2.95Å; H349-S378 WeakPolarHBondContact CE1-CB 3.45Å; H349-S378 PolarHBondContact CE1-OG 3.27Å; H349-S378 VanDerWaalsContact NE2-CB 3.3Å; H349-S378 WeakPolarHBondContact NE2-CB 3.2Å; H349-I379 HydrophobicContact CB-CD1 4.12Å; H349-I379 HydrophobicContact CB-CG1 3.99Å
350	A	97.3	Very high	97.5	Very high	18 Å²	18	54.3 Å²	54.3	15%	0.149	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-38.1	174.5	0	0	0	0	0	113.4	L346 E352 K354 W427	L346-A350 VanDerWaalsContact O-CB 3.24Å; L346-A350 WeakPolarHBondContact O-CB 3.41Å; L346-A350 PolarHBondContact O-N 3.31Å; A350-E352 VanDerWaalsContact C-N 3.28Å; A350-E352 PolarHBondContact O-N 3.27Å; A350-K354 WeakPolarHBondContact O-CB 3.32Å; A350-K354 PolarHBondContact O-N 3.32Å; A350-W427 HydrophobicContact CB-CH2 3.37Å; A350-W427 HydrophobicContact CB-CZ2 3.55Å
351	A	97	Very high	97.5	Very high	61 Å²	61	47.7 Å²	47.7	50%	0.504	26%	0.259	S	S	.	.	H	α-helix	trans	-62.9	-38.3	175.6	0	0	0	0	0	111.7	S347 R348 H349 S355	S347-A351 WeakPolarHBondContact O-CB 3.43Å; S347-A351 PolarHBondContact O-N 2.84Å; S347-A351 VanDerWaalsContact O-N 3.09Å; R348-A351 PolarHBondContact O-N 2.74Å; H349-A351 PolarHBondContact O-N 2.79Å; A351-S355 WeakPolarHBondContact O-CB 3.44Å; A351-S355 PolarHBondContact O-N 3.09Å; A351-S355 PolarHBondContact O-OG 3.24Å
352	E	97.4	Very high	97.4	Very high	72 Å²	72	48 Å²	48	34%	0.336	27%	0.269	S	S	.	.	H	α-helix	trans	-70.7	-48.1	179.7	-70.6	-90.4	-146.9	0	0	111.6	R348 H349 A350 K354 S355 V356 R371	R348-E352 WeakPolarHBondContact O-CG 3.41Å; R348-E352 PolarHBondContact O-N 3.48Å; H349-E352 PolarHBondContact O-N 3.43Å; A350-E352 VanDerWaalsContact C-N 3.28Å; A350-E352 PolarHBondContact O-N 3.27Å; E352-K354 VanDerWaalsContact C-N 3.32Å; E352-K354 PolarHBondContact O-N 2.87Å; E352-S355 PolarHBondContact O-N 2.87Å; E352-S355 VanDerWaalsContact O-N 3.15Å; E352-S355 PolarHBondContact O-OG 3.1Å; E352-V356 WeakPolarHBondContact O-CG2 3.47Å; E352-V356 PolarHBondContact O-N 3.42Å; E352-V356 VanDerWaalsContact O-N 3.09Å; E352-R371 IonicContact OE1-CZ 3.52Å; E352-R371 IonicContact OE1-NH1 3.73Å; E352-R371 PolarHBondContact OE1-NH1 2.99Å; E352-R371 IonicContact OE1-NH2 2.66Å; E352-R371 PolarHBondContact OE1-NH2 2.68Å; E352-R371 IonicContact OE2-CZ 2.85Å; E352-R371 IonicContact OE2-NE 2.8Å; E352-R371 IonicContact OE2-NH1 3.65Å; E352-R371 PolarHBondContact OE2-NH1 3.08Å; E352-R371 VanDerWaalsContact OE2-NH1 3.07Å; E352-R371 IonicContact OE2-NH2 3.25Å; E352-R371 PolarHBondContact OE2-NH2 2.8Å
353	L	97.9	Very high	97.2	Very high	1 Å²	1	55 Å²	55	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-52.5	-49.5	171.2	-73	171.1	0	0	0	111.6	H349 S355 V356 F357 L372 D375 I379 W394 W398	H349-L353 WeakPolarHBondContact O-CG 3.35Å; H349-L353 PolarHBondContact O-N 3.36Å; L353-S355 PolarHBondContact O-N 3.47Å; L353-V356 PolarHBondContact O-N 3.38Å; L353-F357 HydrophobicContact CD2-CD2 4.27Å; L353-F357 HydrophobicContact CD2-CE2 4.21Å; L353-F357 WeakPolarHBondContact O-CB 3.25Å; L353-F357 WeakPolarHBondContact O-CD2 3.45Å; L353-F357 PolarHBondContact O-N 3.47Å; L353-L372 HydrophobicContact CD2-CD1 3.55Å; L353-D375 HydrophobicContact CD1-CB 4.2Å; L353-D375 HydrophobicContact CD2-CB 3.77Å; L353-D375 HydrophobicContact CG-CB 3.78Å; L353-I379 HydrophobicContact CD1-CD1 3.71Å; L353-W394 HydrophobicContact CD1-CH2 4.07Å; L353-W398 HydrophobicContact CB-CE3 4.49Å; L353-W398 HydrophobicContact CB-CH2 3.75Å; L353-W398 HydrophobicContact CB-CZ2 3.92Å; L353-W398 HydrophobicContact CB-CZ3 4.04Å; L353-W398 HydrophobicContact CD1-CD2 4.02Å; L353-W398 HydrophobicContact CD1-CE3 4.43Å; L353-W398 HydrophobicContact CD1-CG 4.39Å; L353-W398 HydrophobicContact CD1-CZ2 4.27Å; L353-W398 HydrophobicContact CD2-CD2 4.3Å; L353-W398 HydrophobicContact CD2-CE3 3.92Å; L353-W398 HydrophobicContact CD2-CZ3 4.09Å
354	K	95.6	Very high	97.1	Very high	120 Å²	120	61.8 Å²	61.8	52%	0.522	33%	0.33	S	S	.	.	H	α-helix	trans	-62.7	-42.3	178.9	-175.2	168.8	-69.9	-169.4	0	111.8	A350 E352 V356 C358	A350-K354 WeakPolarHBondContact O-CB 3.32Å; A350-K354 PolarHBondContact O-N 3.32Å; E352-K354 VanDerWaalsContact C-N 3.32Å; E352-K354 PolarHBondContact O-N 2.87Å; K354-V356 VanDerWaalsContact C-N 3.29Å; K354-V356 PolarHBondContact O-N 2.84Å; K354-C358 WeakPolarHBondContact O-CB 3.35Å; K354-C358 PolarHBondContact O-N 2.79Å; K354-C358 VanDerWaalsContact O-N 3.1Å; K354-C358 PolarHBondContact O-SG 3.1Å
355	S	96.8	Very high	97.1	Very high	73 Å²	73	57.6 Å²	57.6	51%	0.51	31%	0.309	S	S	.	.	H	α-helix	trans	-65.3	-32.8	-178.2	74.5	0	0	0	0	113.3	A351 E352 L353	A351-S355 WeakPolarHBondContact O-CB 3.44Å; A351-S355 PolarHBondContact O-N 3.09Å; A351-S355 PolarHBondContact O-OG 3.24Å; E352-S355 PolarHBondContact O-N 2.87Å; E352-S355 VanDerWaalsContact O-N 3.15Å; E352-S355 PolarHBondContact O-OG 3.1Å; L353-S355 PolarHBondContact O-N 3.47Å
356	V	97.4	Very high	97	Very high	24 Å²	24	65.2 Å²	65.2	15%	0.145	34%	0.336	C	S	.	.	H	α-helix	trans	-85.2	-43.4	-178.7	175.3	0	0	0	0	111.8	E352 L353 K354 L361 Q368 R371	E352-V356 WeakPolarHBondContact O-CG2 3.47Å; E352-V356 PolarHBondContact O-N 3.42Å; E352-V356 VanDerWaalsContact O-N 3.09Å; L353-V356 PolarHBondContact O-N 3.38Å; K354-V356 VanDerWaalsContact C-N 3.29Å; K354-V356 PolarHBondContact O-N 2.84Å; V356-L361 HydrophobicContact CG1-CD1 4.33Å; V356-Q368 HydrophobicContact CG1-CB 4.11Å; V356-Q368 HydrophobicContact CG1-CG 3.77Å; V356-R371 HydrophobicContact CG2-CG 4.41Å
357	F	98.1	Very high	97	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-104.5	7.2	-168.5	-62.6	-73.6	0	0	0	114.5	L353 Q359 L361 Y365 Q368 L372 W398 L401 I405 R417 N421	L353-F357 HydrophobicContact CD2-CD2 4.27Å; L353-F357 HydrophobicContact CD2-CE2 4.21Å; L353-F357 WeakPolarHBondContact O-CB 3.25Å; L353-F357 WeakPolarHBondContact O-CD2 3.45Å; L353-F357 PolarHBondContact O-N 3.47Å; F357-Q359 PolarHBondContact O-N 3.47Å; F357-L361 HydrophobicContact CD1-CD1 4.14Å; F357-L361 HydrophobicContact CE1-CD1 4.05Å; F357-Y365 HydrophobicContact CD1-CE1 4.4Å; F357-Y365 HydrophobicContact CE1-CD1 4.35Å; F357-Q368 HydrophobicContact CE1-CB 4.13Å; F357-Q368 HydrophobicContact CZ-CB 3.82Å; F357-L372 HydrophobicContact CE2-CB 3.99Å; F357-L372 HydrophobicContact CE2-CD1 3.87Å; F357-L372 HydrophobicContact CE2-CD2 4.48Å; F357-L372 HydrophobicContact CE2-CG 4.33Å; F357-L372 HydrophobicContact CZ-CB 3.81Å; F357-L372 HydrophobicContact CZ-CD1 4.24Å; F357-L372 HydrophobicContact CZ-CD2 4.02Å; F357-L372 HydrophobicContact CZ-CG 4.25Å; F357-W398 HydrophobicContact CB-CH2 4.36Å; F357-W398 HydrophobicContact CB-CZ3 3.93Å; F357-W398 AromaticContact CD2-CZ3 3.86Å; F357-W398 HydrophobicContact CD2-CZ3 3.86Å; F357-W398 HydrophobicContact CG-CZ3 4.1Å; F357-L401 HydrophobicContact CD1-CD2 3.83Å; F357-L401 HydrophobicContact CE1-CD2 4.18Å; F357-L401 HydrophobicContact CG-CD2 4.06Å; F357-I405 HydrophobicContact CE1-CD1 4.14Å; F357-R417 HydrophobicContact CB-CG 4.37Å; F357-R417 WeakPolarHBondContact O-CD 3.31Å; F357-R417 VanDerWaalsContact O-CG 3.25Å; F357-R417 WeakPolarHBondContact O-CG 3.42Å; F357-N421 PolarHBondContact O-ND2 3.45Å
358	C	96.3	Very high	97	Very high	72 Å²	72	71.7 Å²	71.7	49%	0.486	37%	0.366	S	S	.	.	S	Bend	trans	-64.1	-21.7	175.5	59.5	0	0	0	0	113.8	K354	K354-C358 WeakPolarHBondContact O-CB 3.35Å; K354-C358 PolarHBondContact O-N 2.79Å; K354-C358 VanDerWaalsContact O-N 3.1Å; K354-C358 PolarHBondContact O-SG 3.1Å
359	Q	96	Very high	97	Very high	113 Å²	113	66.2 Å²	66.2	53%	0.528	35%	0.347	S	S	.	.	S	Bend	trans	-124.6	153.8	179.7	64.8	-178.4	-17.3	0	0	110.9	F357 L361	F357-Q359 PolarHBondContact O-N 3.47Å; Q359-L361 HydrophobicContact CG-CD2 4.25Å
360	P	97.4	Very high	97	Very high	78 Å²	78	69.8 Å²	69.8	51%	0.506	37%	0.372	S	S	.	.			trans	-64.9	136.3	173.4	27.2	-34.7	0	0	0	111.3	Y365	P360-Y365 VanDerWaalsContact CA-OH 3.32Å; P360-Y365 WeakPolarHBondContact CA-OH 3.34Å
361	L	97.3	Very high	97	Very high	17 Å²	17	71.9 Å²	71.9	9%	0.089	38%	0.376	C	S	.	.			trans	-100.2	-6	-174.6	-59.5	-178.1	0	0	0	114.6	V356 F357 Q359 D363 R364 Y365 Q368	V356-L361 HydrophobicContact CG1-CD1 4.33Å; F357-L361 HydrophobicContact CD1-CD1 4.14Å; F357-L361 HydrophobicContact CE1-CD1 4.05Å; Q359-L361 HydrophobicContact CG-CD2 4.25Å; L361-D363 PolarHBondContact O-N 3.4Å; L361-R364 WeakPolarHBondContact O-CB 3.41Å; L361-R364 PolarHBondContact O-N 2.69Å; L361-Y365 HydrophobicContact CB-CD1 3.76Å; L361-Y365 HydrophobicContact CB-CD2 4.13Å; L361-Y365 HydrophobicContact CB-CE1 3.74Å; L361-Y365 HydrophobicContact CB-CE2 4.11Å; L361-Y365 HydrophobicContact CB-CG 3.94Å; L361-Y365 HydrophobicContact CD1-CD1 3.81Å; L361-Y365 HydrophobicContact CD1-CE1 3.99Å; L361-Y365 HydrophobicContact CG-CD1 4.05Å; L361-Y365 HydrophobicContact CG-CE1 3.83Å; L361-Y365 VanDerWaalsContact N-CZ 3.33Å; L361-Y365 PolarHBondContact N-OH 2.66Å; L361-Q368 HydrophobicContact CD1-CB 4.39Å; L361-Q368 HydrophobicContact CD1-CG 3.65Å
362	G	95.5	Very high	97.1	Very high	29 Å²	29	69 Å²	69	30%	0.299	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	62	-126.5	-179.4	0	0	0	0	0	111.1	R364 Y365 R410	G362-R364 PolarHBondContact O-N 2.66Å; G362-Y365 WeakPolarHBondContact O-CD2 3.38Å; G362-R410 PolarHBondContact O-NH1 2.79Å; G362-R410 PolarHBondContact O-NH2 2.73Å
363	D	94.6	Very high	97.1	Very high	146 Å²	146	66.9 Å²	66.9	78%	0.781	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-80.6	-5.6	-178	-58.5	-22.9	0	0	0	113.2	L361 Y365 R410	L361-D363 PolarHBondContact O-N 3.4Å; D363-Y365 PolarHBondContact O-N 2.73Å; D363-R410 IonicContact OD1-NH1 2.84Å; D363-R410 IonicContact OD1-NH2 3.15Å
364	R	96.7	Very high	97.1	Very high	157 Å²	157	69.2 Å²	69.2	59%	0.592	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-89.4	5.6	-176.4	-57.7	178.8	-65	-150.2	1.9	114.1	L361 G362 R366 D367	L361-R364 WeakPolarHBondContact O-CB 3.41Å; L361-R364 PolarHBondContact O-N 2.69Å; G362-R364 PolarHBondContact O-N 2.66Å; R364-R366 VanDerWaalsContact C-N 3.27Å; R364-R366 PolarHBondContact O-N 3.09Å; R364-D367 PolarHBondContact O-N 2.79Å
365	Y	97.8	Very high	97.3	Very high	4 Å²	4	63.5 Å²	63.5	2%	0.016	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-58.9	-40.5	177.5	-82.9	-66.9	0	0	0	112.2	F357 P360 L361 G362 D363 D367 Q368 I405 I413 E414 R417	F357-Y365 HydrophobicContact CD1-CE1 4.4Å; F357-Y365 HydrophobicContact CE1-CD1 4.35Å; P360-Y365 VanDerWaalsContact CA-OH 3.32Å; P360-Y365 WeakPolarHBondContact CA-OH 3.34Å; L361-Y365 HydrophobicContact CB-CD1 3.76Å; L361-Y365 HydrophobicContact CB-CD2 4.13Å; L361-Y365 HydrophobicContact CB-CE1 3.74Å; L361-Y365 HydrophobicContact CB-CE2 4.11Å; L361-Y365 HydrophobicContact CB-CG 3.94Å; L361-Y365 HydrophobicContact CD1-CD1 3.81Å; L361-Y365 HydrophobicContact CD1-CE1 3.99Å; L361-Y365 HydrophobicContact CG-CD1 4.05Å; L361-Y365 HydrophobicContact CG-CE1 3.83Å; L361-Y365 VanDerWaalsContact N-CZ 3.33Å; L361-Y365 PolarHBondContact N-OH 2.66Å; G362-Y365 WeakPolarHBondContact O-CD2 3.38Å; D363-Y365 PolarHBondContact O-N 2.73Å; Y365-D367 PolarHBondContact O-N 3.15Å; Y365-Q368 PolarHBondContact O-N 3.11Å; Y365-I405 HydrophobicContact CD1-CD1 3.77Å; Y365-I405 HydrophobicContact CD1-CG1 4.15Å; Y365-I405 HydrophobicContact CG-CD1 4.27Å; Y365-I405 HydrophobicContact CG-CG1 4.23Å; Y365-I413 HydrophobicContact CD1-CG2 4.02Å; Y365-I413 HydrophobicContact CD2-CD1 4.48Å; Y365-I413 HydrophobicContact CD2-CG2 3.72Å; Y365-I413 HydrophobicContact CE1-CG2 3.75Å; Y365-I413 HydrophobicContact CE2-CG2 3.43Å; Y365-I413 VanDerWaalsContact CE2-CG2 3.43Å; Y365-I413 HydrophobicContact CG-CG2 4.03Å; Y365-I413 VanDerWaalsContact CZ-CG2 3.43Å; Y365-E414 PolarHBondContact OH-OE1 2.91Å; Y365-R417 VanDerWaalsContact OH-CD 3.28Å; Y365-R417 WeakPolarHBondContact OH-CD 3.27Å; Y365-R417 PolarHBondContact OH-NE 3.18Å
366	R	96.7	Very high	97.4	Very high	184 Å²	184	60.5 Å²	60.5	69%	0.694	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-62.7	-32.7	-177	-163.6	176	-176.1	167.6	2.2	112.4	R364 Q368 L369	R364-R366 VanDerWaalsContact C-N 3.27Å; R364-R366 PolarHBondContact O-N 3.09Å; R366-Q368 PolarHBondContact O-N 2.65Å; R366-L369 HydrophobicContact CG-CD1 3.93Å; R366-L369 WeakPolarHBondContact O-CB 3.19Å; R366-L369 PolarHBondContact O-N 2.68Å
367	D	97.5	Very high	97.4	Very high	116 Å²	116	60.2 Å²	60.2	62%	0.62	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-65.4	-22	177.6	-56.9	-24.9	0	0	0	112.4	R364 Y365	R364-D367 PolarHBondContact O-N 2.79Å; Y365-D367 PolarHBondContact O-N 3.15Å
368	Q	98	Very high	97.5	Very high	61 Å²	61	60.3 Å²	60.3	29%	0.285	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-93.9	-2.6	179.9	-57.6	-53.8	-45.7	0	0	113.6	V356 F357 L361 Y365 R366 R371 L372	V356-Q368 HydrophobicContact CG1-CB 4.11Å; V356-Q368 HydrophobicContact CG1-CG 3.77Å; F357-Q368 HydrophobicContact CE1-CB 4.13Å; F357-Q368 HydrophobicContact CZ-CB 3.82Å; L361-Q368 HydrophobicContact CD1-CB 4.39Å; L361-Q368 HydrophobicContact CD1-CG 3.65Å; Y365-Q368 PolarHBondContact O-N 3.11Å; R366-Q368 PolarHBondContact O-N 2.65Å; Q368-R371 WeakPolarHBondContact O-CB 3.23Å; Q368-R371 PolarHBondContact O-N 3.22Å; Q368-R371 VanDerWaalsContact O-N 3.12Å; Q368-L372 PolarHBondContact O-N 2.8Å
369	L	97.4	Very high	97.6	Very high	28 Å²	28	56.9 Å²	56.9	15%	0.147	28%	0.281	C	S	.	.	H	α-helix	trans	-53	-49.9	177.7	-82.2	173	0	0	0	112.4	R366 R371 L372 T373 I405	R366-L369 HydrophobicContact CG-CD1 3.93Å; R366-L369 WeakPolarHBondContact O-CB 3.19Å; R366-L369 PolarHBondContact O-N 2.68Å; L369-R371 PolarHBondContact O-N 3.27Å; L369-R371 VanDerWaalsContact O-N 3.16Å; L369-L372 PolarHBondContact O-N 2.72Å; L369-L372 VanDerWaalsContact O-N 3.14Å; L369-T373 PolarHBondContact O-N 3.47Å; L369-T373 PolarHBondContact O-OG1 2.71Å; L369-I405 HydrophobicContact CD1-CG2 4.04Å; L369-I405 HydrophobicContact CD2-CB 3.95Å; L369-I405 HydrophobicContact CD2-CG2 3.64Å; L369-I405 HydrophobicContact CG-CB 4.48Å; L369-I405 HydrophobicContact CG-CG2 3.62Å
370	P	97.5	Very high	97.7	Very high	92 Å²	92	51.7 Å²	51.7	60%	0.597	26%	0.257	S	S	*	.	H	α-helix	trans	-58.4	-35.1	179.9	-25.1	35.2	0	0	0	113.5	R374	P370-R374 WeakPolarHBondContact O-CB 3.43Å; P370-R374 PolarHBondContact O-N 3Å
371	R	97.8	Very high	97.8	Very high	62 Å²	62	48 Å²	48	23%	0.234	23%	0.233	C	C	.	.	H	α-helix	trans	-69.9	-48.7	177.4	-176.1	76.3	-158.2	-162.9	19	110.8	E352 V356 Q368 L369 R374 D375	E352-R371 IonicContact OE1-CZ 3.52Å; E352-R371 IonicContact OE1-NH1 3.73Å; E352-R371 PolarHBondContact OE1-NH1 2.99Å; E352-R371 IonicContact OE1-NH2 2.66Å; E352-R371 PolarHBondContact OE1-NH2 2.68Å; E352-R371 IonicContact OE2-CZ 2.85Å; E352-R371 IonicContact OE2-NE 2.8Å; E352-R371 IonicContact OE2-NH1 3.65Å; E352-R371 PolarHBondContact OE2-NH1 3.08Å; E352-R371 VanDerWaalsContact OE2-NH1 3.07Å; E352-R371 IonicContact OE2-NH2 3.25Å; E352-R371 PolarHBondContact OE2-NH2 2.8Å; V356-R371 HydrophobicContact CG2-CG 4.41Å; Q368-R371 WeakPolarHBondContact O-CB 3.23Å; Q368-R371 PolarHBondContact O-N 3.22Å; Q368-R371 VanDerWaalsContact O-N 3.12Å; L369-R371 PolarHBondContact O-N 3.27Å; L369-R371 VanDerWaalsContact O-N 3.16Å; R371-R374 VanDerWaalsContact CD-NH2 3.29Å; R371-R374 PolarHBondContact O-N 3.4Å; R371-D375 IonicContact CZ-OD2 3.93Å; R371-D375 IonicContact NE-OD1 2.73Å; R371-D375 IonicContact NE-OD2 3.62Å; R371-D375 PolarHBondContact NE-OD2 3.31Å; R371-D375 IonicContact NH2-OD1 3.4Å; R371-D375 IonicContact NH2-OD2 3.52Å; R371-D375 PolarHBondContact O-N 3.39Å
372	L	98.5	Very high	97.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.1	-47.6	179.4	-179.3	55.8	0	0	0	111.6	L353 F357 Q368 L369 R374 D375 I376 W398 L401 H402 I405	L353-L372 HydrophobicContact CD2-CD1 3.55Å; F357-L372 HydrophobicContact CE2-CB 3.99Å; F357-L372 HydrophobicContact CE2-CD1 3.87Å; F357-L372 HydrophobicContact CE2-CD2 4.48Å; F357-L372 HydrophobicContact CE2-CG 4.33Å; F357-L372 HydrophobicContact CZ-CB 3.81Å; F357-L372 HydrophobicContact CZ-CD1 4.24Å; F357-L372 HydrophobicContact CZ-CD2 4.02Å; F357-L372 HydrophobicContact CZ-CG 4.25Å; Q368-L372 PolarHBondContact O-N 2.8Å; L369-L372 PolarHBondContact O-N 2.72Å; L369-L372 VanDerWaalsContact O-N 3.14Å; L372-R374 VanDerWaalsContact C-N 3.34Å; L372-R374 PolarHBondContact O-N 3.29Å; L372-D375 PolarHBondContact O-N 3.25Å; L372-I376 HydrophobicContact CD1-CD1 3.78Å; L372-I376 HydrophobicContact CD1-CG1 4.08Å; L372-I376 HydrophobicContact CG-CD1 3.82Å; L372-I376 HydrophobicContact CG-CG1 4.5Å; L372-I376 WeakPolarHBondContact O-CG1 3.45Å; L372-I376 PolarHBondContact O-N 3.35Å; L372-W398 HydrophobicContact CD1-CE3 4.02Å; L372-L401 HydrophobicContact CD2-CD2 4.26Å; L372-L401 HydrophobicContact CD2-CG 4.06Å; L372-H402 HydrophobicContact CD2-CB 3.79Å; L372-H402 HydrophobicContact CG-CB 4.2Å; L372-I405 HydrophobicContact CD2-CD1 3.97Å
373	T	98.4	Very high	98	Very high	28 Å²	28	45.8 Å²	45.8	17%	0.172	22%	0.215	C	C	.	.	H	α-helix	trans	-57.9	-46.7	176.6	-48.4	0	0	0	0	110.7	L369 D375 I376 D377 H402	L369-T373 PolarHBondContact O-N 3.47Å; L369-T373 PolarHBondContact O-OG1 2.71Å; T373-D375 VanDerWaalsContact C-N 3.33Å; T373-D375 PolarHBondContact O-N 3.02Å; T373-I376 PolarHBondContact O-N 2.89Å; T373-D377 WeakPolarHBondContact O-CB 3.38Å; T373-D377 PolarHBondContact O-N 2.81Å; T373-H402 PolarHBondContact OG1-CD2 3Å; T373-H402 PolarHBondContact OG1-NE2 2.85Å
374	R	98.6	Very high	98.1	Very high	50 Å²	50	39.4 Å²	39.4	19%	0.189	18%	0.183	C	C	.	.	H	α-helix	trans	-58.9	-45.2	178	-170.6	-178.4	84	-121.5	-49.3	112.5	H263 M266 P370 R371 L372 S378	H263-R374 HydrophobicContact CB-CG 4.12Å; H263-R374 WeakPolarHBondContact CD2-CG 3.44Å; H263-R374 WeakPolarHBondContact CE1-CA 3.48Å; H263-R374 PolarHBondContact CE1-N 2.87Å; H263-R374 WeakPolarHBondContact NE2-CB 3.36Å; M266-R374 VanDerWaalsContact SD-CD 3.5Å; P370-R374 WeakPolarHBondContact O-CB 3.43Å; P370-R374 PolarHBondContact O-N 3Å; R371-R374 VanDerWaalsContact CD-NH2 3.29Å; R371-R374 PolarHBondContact O-N 3.4Å; L372-R374 VanDerWaalsContact C-N 3.34Å; L372-R374 PolarHBondContact O-N 3.29Å; R374-S378 VanDerWaalsContact O-CB 3.31Å; R374-S378 WeakPolarHBondContact O-CB 3.47Å; R374-S378 PolarHBondContact O-N 2.95Å; R374-S378 PolarHBondContact O-OG 3.26Å
375	D	98.7	Very high	98.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-74.6	-33.3	-174.7	-64.5	-27.6	0	0	0	111.1	H349 L353 R371 L372 T373 I379	H349-D375 HydrophobicContact CB-CB 4.33Å; H349-D375 IonicContact CE1-OD1 2.88Å; H349-D375 IonicContact CG-OD1 2.73Å; H349-D375 IonicContact ND1-OD1 3.35Å; H349-D375 PolarHBondContact ND1-OD1 2.95Å; L353-D375 HydrophobicContact CD1-CB 4.2Å; L353-D375 HydrophobicContact CD2-CB 3.77Å; L353-D375 HydrophobicContact CG-CB 3.78Å; R371-D375 IonicContact CZ-OD2 3.93Å; R371-D375 IonicContact NE-OD1 2.73Å; R371-D375 IonicContact NE-OD2 3.62Å; R371-D375 PolarHBondContact NE-OD2 3.31Å; R371-D375 IonicContact NH2-OD1 3.4Å; R371-D375 IonicContact NH2-OD2 3.52Å; R371-D375 PolarHBondContact O-N 3.39Å; L372-D375 PolarHBondContact O-N 3.25Å; T373-D375 VanDerWaalsContact C-N 3.33Å; T373-D375 PolarHBondContact O-N 3.02Å; D375-I379 WeakPolarHBondContact O-CD1 3.46Å; D375-I379 WeakPolarHBondContact O-CG1 3.31Å; D375-I379 PolarHBondContact O-N 3.45Å; D375-I379 VanDerWaalsContact O-N 3.11Å
376	I	98.7	Very high	98.2	Very high	10 Å²	10	36.1 Å²	36.1	5%	0.051	17%	0.171	C	C	.	.	H	α-helix	trans	-62.4	-52.8	168.8	-70.3	169.1	0	0	0	110.9	L372 T373 S378 I379 L380 L395 W398 Q399 H402	L372-I376 HydrophobicContact CD1-CD1 3.78Å; L372-I376 HydrophobicContact CD1-CG1 4.08Å; L372-I376 HydrophobicContact CG-CD1 3.82Å; L372-I376 HydrophobicContact CG-CG1 4.5Å; L372-I376 WeakPolarHBondContact O-CG1 3.45Å; L372-I376 PolarHBondContact O-N 3.35Å; T373-I376 PolarHBondContact O-N 2.89Å; I376-S378 VanDerWaalsContact C-N 3.29Å; I376-S378 PolarHBondContact O-N 3.1Å; I376-I379 PolarHBondContact O-N 2.96Å; I376-I379 VanDerWaalsContact O-N 3.09Å; I376-L380 HydrophobicContact CG2-CD1 4.08Å; I376-L380 PolarHBondContact O-N 3.42Å; I376-L395 HydrophobicContact CG2-CD2 4.39Å; I376-W398 HydrophobicContact CD1-CB 4.11Å; I376-W398 WeakPolarHBondContact CD1-O 3.32Å; I376-W398 HydrophobicContact CG1-CB 3.97Å; I376-Q399 HydrophobicContact CG2-CG 4.08Å; I376-H402 HydrophobicContact CD1-CB 3.77Å
377	D	98.8	Very high	98.2	Very high	18 Å²	18	31.8 Å²	31.8	10%	0.096	16%	0.162	C	C	.	.	H	α-helix	trans	-57.7	-44.1	179.9	-79.4	-5.2	0	0	0	111.3	L260 H263 T373 I379 L380 L381	L260-D377 HydrophobicContact CD1-CB 3.69Å; H263-D377 HydrophobicContact CB-CB 4.11Å; H263-D377 IonicContact CE1-OD2 3.26Å; H263-D377 PolarHBondContact CE1-OD2 3.48Å; H263-D377 IonicContact CG-OD2 2.84Å; H263-D377 IonicContact ND1-OD2 2.8Å; H263-D377 PolarHBondContact ND1-OD2 3.28Å; T373-D377 WeakPolarHBondContact O-CB 3.38Å; T373-D377 PolarHBondContact O-N 2.81Å; D377-I379 VanDerWaalsContact C-N 3.31Å; D377-I379 PolarHBondContact O-N 2.89Å; D377-L380 WeakPolarHBondContact O-CB 3.28Å; D377-L380 PolarHBondContact O-N 2.91Å; D377-L381 WeakPolarHBondContact O-CG 3.39Å; D377-L381 PolarHBondContact O-N 2.79Å; D377-L381 VanDerWaalsContact O-N 3.17Å
378	S	98.8	Very high	98.2	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-63.4	-38.8	178.5	-56	0	0	0	0	111.6	H349 R374 I376 L381 L382	H349-S378 WeakPolarHBondContact CE1-CB 3.45Å; H349-S378 PolarHBondContact CE1-OG 3.27Å; H349-S378 VanDerWaalsContact NE2-CB 3.3Å; H349-S378 WeakPolarHBondContact NE2-CB 3.2Å; R374-S378 VanDerWaalsContact O-CB 3.31Å; R374-S378 WeakPolarHBondContact O-CB 3.47Å; R374-S378 PolarHBondContact O-N 2.95Å; R374-S378 PolarHBondContact O-OG 3.26Å; I376-S378 VanDerWaalsContact C-N 3.29Å; I376-S378 PolarHBondContact O-N 3.1Å; S378-L381 PolarHBondContact O-N 3.46Å; S378-L382 VanDerWaalsContact O-CD1 3.3Å; S378-L382 WeakPolarHBondContact O-CD1 3.36Å; S378-L382 WeakPolarHBondContact O-CG 3.49Å; S378-L382 PolarHBondContact O-N 2.94Å
379	I	98.6	Very high	98.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-71	-37.5	178.5	-67.1	169.3	0	0	0	111.2	L346 H349 L353 D375 I376 D377 L381 L382 A383 W394 L395	L346-I379 HydrophobicContact CD2-CB 4.28Å; L346-I379 HydrophobicContact CD2-CG1 4.11Å; L346-I379 HydrophobicContact CD2-CG2 3.82Å; H349-I379 HydrophobicContact CB-CD1 4.12Å; H349-I379 HydrophobicContact CB-CG1 3.99Å; L353-I379 HydrophobicContact CD1-CD1 3.71Å; D375-I379 WeakPolarHBondContact O-CD1 3.46Å; D375-I379 WeakPolarHBondContact O-CG1 3.31Å; D375-I379 PolarHBondContact O-N 3.45Å; D375-I379 VanDerWaalsContact O-N 3.11Å; I376-I379 PolarHBondContact O-N 2.96Å; I376-I379 VanDerWaalsContact O-N 3.09Å; D377-I379 VanDerWaalsContact C-N 3.31Å; D377-I379 PolarHBondContact O-N 2.89Å; I379-L381 PolarHBondContact O-N 2.9Å; I379-L382 PolarHBondContact O-N 2.97Å; I379-A383 HydrophobicContact CG2-CB 4.4Å; I379-A383 WeakPolarHBondContact O-CB 3.33Å; I379-A383 PolarHBondContact O-N 3.37Å; I379-W394 HydrophobicContact CD1-CH2 3.66Å; I379-W394 HydrophobicContact CD1-CZ3 3.53Å; I379-W394 HydrophobicContact CG2-CE3 4.47Å; I379-W394 HydrophobicContact CG2-CZ3 4.06Å; I379-L395 HydrophobicContact CB-CD2 3.99Å; I379-L395 HydrophobicContact CG2-CD1 4.05Å; I379-L395 HydrophobicContact CG2-CD2 3.65Å; I379-L395 HydrophobicContact CG2-CG 3.89Å
380	L	98.7	Very high	98.2	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-54.8	-39.1	171.6	-75	167.1	0	0	0	111.5	T210 I212 L213 I376 D377 L382 L395	T210-L380 HydrophobicContact CG2-CD1 4.25Å; I212-L380 WeakPolarHBondContact CA-O 3.48Å; I212-L380 HydrophobicContact CG1-CD2 4.06Å; L213-L380 PolarHBondContact N-O 3.49Å; I376-L380 HydrophobicContact CG2-CD1 4.08Å; I376-L380 PolarHBondContact O-N 3.42Å; D377-L380 WeakPolarHBondContact O-CB 3.28Å; D377-L380 PolarHBondContact O-N 2.91Å; L380-L382 VanDerWaalsContact C-N 3.32Å; L380-L382 PolarHBondContact O-N 3.46Å; L380-L395 HydrophobicContact CD2-CD1 3.63Å; L380-L395 HydrophobicContact CG-CD1 4.03Å
381	L	98.7	Very high	98.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-13.8	179	-62	176.6	0	0	0	114.7	L213 A228 L231 L260 T264 L267 F338 D377 S378 I379	L213-L381 HydrophobicContact CB-CD2 4.38Å; L213-L381 HydrophobicContact CD2-CD2 4.09Å; A228-L381 HydrophobicContact CB-CD1 4.14Å; A228-L381 HydrophobicContact CB-CD2 3.76Å; A228-L381 HydrophobicContact CB-CG 4.42Å; L231-L381 HydrophobicContact CD2-CD2 4.18Å; L260-L381 HydrophobicContact CD1-CD1 3.94Å; L260-L381 HydrophobicContact CD1-CD2 4.19Å; L260-L381 HydrophobicContact CD1-CG 4.11Å; T264-L381 HydrophobicContact CG2-CD1 4.5Å; T264-L381 VanDerWaalsContact OG1-CD1 3.3Å; T264-L381 WeakPolarHBondContact OG1-CD1 3.4Å; L267-L381 HydrophobicContact CD2-CB 4.12Å; L267-L381 HydrophobicContact CD2-CD1 4.14Å; F338-L381 WeakPolarHBondContact CZ-O 3.32Å; D377-L381 WeakPolarHBondContact O-CG 3.39Å; D377-L381 PolarHBondContact O-N 2.79Å; D377-L381 VanDerWaalsContact O-N 3.17Å; S378-L381 PolarHBondContact O-N 3.46Å; I379-L381 PolarHBondContact O-N 2.9Å
382	L	98.7	Very high	98.2	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-22.7	-169.6	-66.2	172.6	0	0	0	114	L267 F338 F341 A342 H345 L346 S378 I379 L380 G384	L267-L382 HydrophobicContact CD1-CD1 3.97Å; L267-L382 HydrophobicContact CD1-CD2 4.34Å; L267-L382 HydrophobicContact CD1-CG 4.49Å; L267-L382 HydrophobicContact CD2-CD1 4.34Å; L267-L382 HydrophobicContact CD2-CD2 3.93Å; L267-L382 HydrophobicContact CD2-CG 4.05Å; F338-L382 HydrophobicContact CE2-CD2 4.24Å; F338-L382 HydrophobicContact CZ-CD2 4.14Å; F341-L382 HydrophobicContact CD1-CD2 4.04Å; F341-L382 HydrophobicContact CE1-CD2 3.88Å; A342-L382 HydrophobicContact CB-CB 4.11Å; A342-L382 HydrophobicContact CB-CD2 3.9Å; A342-L382 WeakPolarHBondContact CB-O 3.31Å; H345-L382 HydrophobicContact CB-CD1 3.5Å; H345-L382 HydrophobicContact CB-CD2 4.45Å; L346-L382 HydrophobicContact CD2-CB 3.78Å; L346-L382 HydrophobicContact CD2-CD1 4.49Å; L346-L382 HydrophobicContact CG-CB 3.89Å; L346-L382 HydrophobicContact CG-CD1 4.43Å; S378-L382 VanDerWaalsContact O-CD1 3.3Å; S378-L382 WeakPolarHBondContact O-CD1 3.36Å; S378-L382 WeakPolarHBondContact O-CG 3.49Å; S378-L382 PolarHBondContact O-N 2.94Å; I379-L382 PolarHBondContact O-N 2.97Å; L380-L382 VanDerWaalsContact C-N 3.32Å; L380-L382 PolarHBondContact O-N 3.46Å; L382-G384 VanDerWaalsContact C-N 3.29Å; L382-G384 PolarHBondContact O-N 3.45Å
383	A	98.5	Very high	98.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-79.4	-2.9	-168.6	0	0	0	0	0	115.1	I212 I379 Y385 Y386 A391 F426	I212-A383 HydrophobicContact CD1-CB 4.03Å; I212-A383 HydrophobicContact CG1-CB 4.27Å; I212-A383 HydrophobicContact CG2-CB 3.9Å; I379-A383 HydrophobicContact CG2-CB 4.4Å; I379-A383 WeakPolarHBondContact O-CB 3.33Å; I379-A383 PolarHBondContact O-N 3.37Å; A383-Y385 PolarHBondContact O-N 3.29Å; A383-Y386 PolarHBondContact O-N 3.3Å; A383-A391 HydrophobicContact CB-CB 4.2Å; A383-F426 HydrophobicContact CB-CE2 4.01Å; A383-F426 HydrophobicContact CB-CZ 3.77Å
384	G	98.2	Very high	98.1	Very high	11 Å²	11	31 Å²	31	11%	0.113	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-67.7	-4.9	-168.2	0	0	0	0	0	118	L213 H214 L382	L213-G384 VanDerWaalsContact O-CA 3.24Å; L213-G384 WeakPolarHBondContact O-CA 3.34Å; H214-G384 WeakPolarHBondContact ND1-CA 3.31Å; H214-G384 PolarHBondContact ND1-O 3.28Å; L382-G384 VanDerWaalsContact C-N 3.29Å; L382-G384 PolarHBondContact O-N 3.45Å
385	Y	97.8	Very high	98.1	Very high	52 Å²	52	28.7 Å²	28.7	20%	0.204	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-94.1	-1.8	176	-68.3	-67.9	0	0	0	114.1	A216 F338 K339 A383	A216-Y385 PolarHBondContact O-OH 3.33Å; F338-Y385 HydrophobicContact CB-CE2 4.4Å; F338-Y385 AromaticContact CD1-CE2 3.57Å; F338-Y385 HydrophobicContact CD1-CE2 3.57Å; F338-Y385 AromaticContact CD1-CZ 3.99Å; F338-Y385 HydrophobicContact CE1-CE2 4.22Å; F338-Y385 HydrophobicContact CG-CE2 4.3Å; K339-Y385 VanDerWaalsContact CA-CE2 3.42Å; K339-Y385 HydrophobicContact CB-CD1 4.32Å; K339-Y385 HydrophobicContact CB-CD2 3.75Å; K339-Y385 HydrophobicContact CB-CE1 4.3Å; K339-Y385 HydrophobicContact CB-CE2 3.69Å; K339-Y385 HydrophobicContact CB-CG 4.05Å; K339-Y385 HydrophobicContact CG-CD1 4.12Å; K339-Y385 HydrophobicContact CG-CD2 3.71Å; K339-Y385 HydrophobicContact CG-CE2 4.19Å; K339-Y385 HydrophobicContact CG-CG 3.65Å; A383-Y385 PolarHBondContact O-N 3.29Å
386	Y	97.8	Very high	98.1	Very high	41 Å²	41	33.8 Å²	33.8	16%	0.161	19%	0.187	C	C	.	.	S	Bend	trans	-106.3	170.1	179.9	-66.3	-78.6	0	0	0	111.1	D343 L346 A383 P388 F426 W427 L428	D343-Y386 PolarHBondContact OD1-OH 2.92Å; L346-Y386 HydrophobicContact CD1-CD2 4.42Å; L346-Y386 HydrophobicContact CD1-CE2 3.96Å; A383-Y386 PolarHBondContact O-N 3.3Å; Y386-P388 WeakPolarHBondContact O-CD 3.38Å; Y386-P388 VanDerWaalsContact O-N 3.17Å; Y386-F426 HydrophobicContact CD1-CD2 4.18Å; Y386-F426 WeakPolarHBondContact CD1-O 3.33Å; Y386-F426 AromaticContact CD2-CD2 3.85Å; Y386-F426 HydrophobicContact CD2-CD2 3.85Å; Y386-F426 AromaticContact CD2-CE2 3.66Å; Y386-F426 HydrophobicContact CD2-CE2 3.66Å; Y386-F426 HydrophobicContact CE2-CE2 4.44Å; Y386-F426 AromaticContact CG-CD2 3.62Å; Y386-F426 HydrophobicContact CG-CD2 3.62Å; Y386-F426 AromaticContact CG-CE2 3.88Å; Y386-F426 HydrophobicContact CG-CE2 3.88Å; Y386-W427 HydrophobicContact CD2-CB 4.2Å; Y386-W427 VanDerWaalsContact CE1-CA 3.48Å; Y386-W427 HydrophobicContact CE1-CB 4.01Å; Y386-W427 HydrophobicContact CE2-CB 3.46Å; Y386-W427 VanDerWaalsContact CE2-CB 3.46Å; Y386-W427 WeakPolarHBondContact OH-CB 3.36Å; Y386-L428 PolarHBondContact OH-N 3.17Å
387	D	97.4	Very high	98	Very high	92 Å²	92	34.9 Å²	34.9	49%	0.492	19%	0.193	S	C	.	.			trans	-55.3	119.9	175.2	-173.5	-53.2	0	0	0	109.7	V389 V390 A391	D387-V389 PolarHBondContact O-N 3.11Å; D387-V389 WeakPolarHBondContact OD1-CB 3.33Å; D387-V389 PolarHBondContact OD1-N 3.48Å; D387-V390 HydrophobicContact CB-CB 4.15Å; D387-V390 HydrophobicContact CB-CG2 3.95Å; D387-V390 PolarHBondContact O-N 3.08Å; D387-V390 PolarHBondContact OD1-N 2.65Å; D387-A391 WeakPolarHBondContact O-CB 3.41Å; D387-A391 PolarHBondContact O-N 2.73Å
388	P	96.4	Very high	98	Very high	71 Å²	71	34.3 Å²	34.3	46%	0.461	19%	0.19	S	C	.	.	H	α-helix	trans	-58.6	-35.4	-175.6	-23.7	32.2	0	0	0	113.1	Y386 Q392	Y386-P388 WeakPolarHBondContact O-CD 3.38Å; Y386-P388 VanDerWaalsContact O-N 3.17Å; P388-Q392 WeakPolarHBondContact O-CB 3.32Å; P388-Q392 PolarHBondContact O-N 3.25Å
389	V	97.5	Very high	98	Very high	114 Å²	114	37 Å²	37	69%	0.691	20%	0.202	S	C	*	.	H	α-helix	trans	-68.1	-45.3	-178.8	-179.8	0	0	0	0	110	D387 A393	D387-V389 PolarHBondContact O-N 3.11Å; D387-V389 WeakPolarHBondContact OD1-CB 3.33Å; D387-V389 PolarHBondContact OD1-N 3.48Å; V389-A393 VanDerWaalsContact O-CB 3.31Å; V389-A393 WeakPolarHBondContact O-CB 3.48Å; V389-A393 PolarHBondContact O-N 3.28Å
390	V	98	Very high	98	Very high	79 Å²	79	37.6 Å²	37.6	48%	0.479	21%	0.208	S	C	.	.	H	α-helix	trans	-68.2	-45.6	-179.4	-179.9	0	0	0	0	111.1	D387 W394 F426	D387-V390 HydrophobicContact CB-CB 4.15Å; D387-V390 HydrophobicContact CB-CG2 3.95Å; D387-V390 PolarHBondContact O-N 3.08Å; D387-V390 PolarHBondContact OD1-N 2.65Å; V390-W394 PolarHBondContact O-N 2.97Å; V390-W394 VanDerWaalsContact O-N 3.08Å; V390-F426 HydrophobicContact CG1-CB 3.86Å
391	A	98	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-68.1	-39.4	-178.4	0	0	0	0	0	112	I212 A383 D387 W394 L395 F426	I212-A391 HydrophobicContact CD1-CB 3.56Å; A383-A391 HydrophobicContact CB-CB 4.2Å; D387-A391 WeakPolarHBondContact O-CB 3.41Å; D387-A391 PolarHBondContact O-N 2.73Å; A391-W394 PolarHBondContact O-N 3.48Å; A391-L395 PolarHBondContact O-N 3.33Å; A391-L395 VanDerWaalsContact O-N 3.11Å; A391-F426 HydrophobicContact CB-CD2 4.18Å; A391-F426 HydrophobicContact CB-CE1 4.3Å; A391-F426 HydrophobicContact CB-CE2 3.86Å; A391-F426 HydrophobicContact CB-CZ 3.92Å
392	Q	96.4	Very high	98	Very high	45 Å²	45	39.6 Å²	39.6	21%	0.21	22%	0.217	C	C	.	.	H	α-helix	trans	-67	-45.2	176.9	-171.4	60.8	46.6	0	0	111.1	I212 P388 W394 L395 E396	I212-Q392 HydrophobicContact CD1-CB 4.38Å; P388-Q392 WeakPolarHBondContact O-CB 3.32Å; P388-Q392 PolarHBondContact O-N 3.25Å; Q392-W394 VanDerWaalsContact C-N 3.26Å; Q392-W394 PolarHBondContact O-N 3.2Å; Q392-L395 CarbonylContact O-C 3.58Å; Q392-L395 WeakPolarHBondContact O-CB 3.47Å; Q392-L395 PolarHBondContact O-N 3.31Å; Q392-E396 WeakPolarHBondContact O-CG 3.27Å; Q392-E396 PolarHBondContact O-N 3.38Å
393	A	97.7	Very high	97.9	Very high	45 Å²	45	44.6 Å²	44.6	37%	0.372	24%	0.241	S	C	.	.	H	α-helix	trans	-59.1	-36.7	175.4	0	0	0	0	0	112.5	V389 E396	V389-A393 VanDerWaalsContact O-CB 3.31Å; V389-A393 WeakPolarHBondContact O-CB 3.48Å; V389-A393 PolarHBondContact O-N 3.28Å; A393-E396 PolarHBondContact O-N 3.01Å
394	W	98.4	Very high	97.9	Very high	18 Å²	18	44.6 Å²	44.6	7%	0.068	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-40.6	174.7	-173.3	96.7	0	0	0	112.3	L353 I379 V390 A391 Q392 W398 Q423 E424 F426 W427	L353-W394 HydrophobicContact CD1-CH2 4.07Å; I379-W394 HydrophobicContact CD1-CH2 3.66Å; I379-W394 HydrophobicContact CD1-CZ3 3.53Å; I379-W394 HydrophobicContact CG2-CE3 4.47Å; I379-W394 HydrophobicContact CG2-CZ3 4.06Å; V390-W394 PolarHBondContact O-N 2.97Å; V390-W394 VanDerWaalsContact O-N 3.08Å; A391-W394 PolarHBondContact O-N 3.48Å; Q392-W394 VanDerWaalsContact C-N 3.26Å; Q392-W394 PolarHBondContact O-N 3.2Å; W394-W398 AromaticContact CE2-NE1 3.81Å; W394-W398 AromaticContact CE3-CD1 3.73Å; W394-W398 AromaticContact CE3-NE1 3.91Å; W394-W398 AromaticContact CH2-CD1 3.58Å; W394-W398 AromaticContact CH2-NE1 3.08Å; W394-W398 AromaticContact CZ2-NE1 3.32Å; W394-W398 VanDerWaalsContact CZ2-NE1 3.32Å; W394-W398 AromaticContact CZ3-CD1 3.34Å; W394-W398 HydrophobicContact CZ3-CG 4.46Å; W394-W398 AromaticContact CZ3-NE1 3.39Å; W394-Q423 VanDerWaalsContact CD1-CD 3.44Å; W394-Q423 PolarHBondContact O-NE2 2.85Å; W394-Q423 PolarHBondContact O-OE1 2.84Å; W394-E424 PolarHBondContact NE1-O 3.48Å; W394-F426 HydrophobicContact CB-CD1 3.69Å; W394-F426 HydrophobicContact CB-CE1 3.89Å; W394-F426 AromaticContact CD1-CD1 3.95Å; W394-F426 HydrophobicContact CD2-CD1 4.03Å; W394-F426 AromaticContact CD2-CE1 3.75Å; W394-F426 HydrophobicContact CD2-CE1 3.75Å; W394-F426 AromaticContact CE3-CE1 3.88Å; W394-F426 HydrophobicContact CE3-CE1 3.88Å; W394-F426 AromaticContact CG-CD1 3.59Å; W394-F426 HydrophobicContact CG-CD1 3.59Å; W394-F426 AromaticContact CG-CE1 3.76Å; W394-F426 HydrophobicContact CG-CE1 3.76Å; W394-W427 HydrophobicContact CZ2-CH2 4.15Å; W394-W427 HydrophobicContact CZ2-CZ3 4.05Å
395	L	98	Very high	97.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-71.3	-34.8	177.7	-90.7	172.6	0	0	0	112.9	I212 I376 I379 L380 A391 Q392 N397 W398 Q399	I212-L395 HydrophobicContact CD1-CD1 4.04Å; I212-L395 HydrophobicContact CG1-CD1 3.8Å; I376-L395 HydrophobicContact CG2-CD2 4.39Å; I379-L395 HydrophobicContact CB-CD2 3.99Å; I379-L395 HydrophobicContact CG2-CD1 4.05Å; I379-L395 HydrophobicContact CG2-CD2 3.65Å; I379-L395 HydrophobicContact CG2-CG 3.89Å; L380-L395 HydrophobicContact CD2-CD1 3.63Å; L380-L395 HydrophobicContact CG-CD1 4.03Å; A391-L395 PolarHBondContact O-N 3.33Å; A391-L395 VanDerWaalsContact O-N 3.11Å; Q392-L395 CarbonylContact O-C 3.58Å; Q392-L395 WeakPolarHBondContact O-CB 3.47Å; Q392-L395 PolarHBondContact O-N 3.31Å; L395-N397 PolarHBondContact O-N 3.25Å; L395-W398 PolarHBondContact O-N 3.43Å; L395-Q399 WeakPolarHBondContact O-CG 3.3Å; L395-Q399 PolarHBondContact O-N 3.15Å
396	E	98	Very high	97.9	Very high	108 Å²	108	44.4 Å²	44.4	51%	0.505	25%	0.247	S	C	.	.	H	α-helix	trans	-54.6	-38.6	-178.2	-82.9	172.5	-169.4	0	0	112.4	Q392 A393 W398 Q399 G400	Q392-E396 WeakPolarHBondContact O-CG 3.27Å; Q392-E396 PolarHBondContact O-N 3.38Å; A393-E396 PolarHBondContact O-N 3.01Å; E396-W398 PolarHBondContact O-N 3.05Å; E396-Q399 PolarHBondContact O-N 2.8Å; E396-G400 PolarHBondContact O-N 2.89Å
397	N	98.5	Very high	97.8	Very high	32 Å²	32	46 Å²	46	17%	0.171	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-41.2	175.9	-74	-45.4	0	0	0	112.6	L395 L401 E419 A420 Q423	L395-N397 PolarHBondContact O-N 3.25Å; N397-L401 PolarHBondContact O-N 3.19Å; N397-E419 HydrophobicContact CB-CB 4.42Å; N397-E419 WeakPolarHBondContact OD1-CB 3.32Å; N397-A420 HydrophobicContact CB-CB 4.01Å; N397-Q423 PolarHBondContact ND2-OE1 2.98Å
398	W	98.6	Very high	97.8	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.027	26%	0.263	C	S	.	.	H	α-helix	trans	-72.5	-35.9	176.7	-64	107.5	0	0	0	112.1	L353 F357 L372 I376 W394 L395 E396 L401 H402 A420 Q423	L353-W398 HydrophobicContact CB-CE3 4.49Å; L353-W398 HydrophobicContact CB-CH2 3.75Å; L353-W398 HydrophobicContact CB-CZ2 3.92Å; L353-W398 HydrophobicContact CB-CZ3 4.04Å; L353-W398 HydrophobicContact CD1-CD2 4.02Å; L353-W398 HydrophobicContact CD1-CE3 4.43Å; L353-W398 HydrophobicContact CD1-CG 4.39Å; L353-W398 HydrophobicContact CD1-CZ2 4.27Å; L353-W398 HydrophobicContact CD2-CD2 4.3Å; L353-W398 HydrophobicContact CD2-CE3 3.92Å; L353-W398 HydrophobicContact CD2-CZ3 4.09Å; F357-W398 HydrophobicContact CB-CH2 4.36Å; F357-W398 HydrophobicContact CB-CZ3 3.93Å; F357-W398 AromaticContact CD2-CZ3 3.86Å; F357-W398 HydrophobicContact CD2-CZ3 3.86Å; F357-W398 HydrophobicContact CG-CZ3 4.1Å; L372-W398 HydrophobicContact CD1-CE3 4.02Å; I376-W398 HydrophobicContact CD1-CB 4.11Å; I376-W398 WeakPolarHBondContact CD1-O 3.32Å; I376-W398 HydrophobicContact CG1-CB 3.97Å; W394-W398 AromaticContact CE2-NE1 3.81Å; W394-W398 AromaticContact CE3-CD1 3.73Å; W394-W398 AromaticContact CE3-NE1 3.91Å; W394-W398 AromaticContact CH2-CD1 3.58Å; W394-W398 AromaticContact CH2-NE1 3.08Å; W394-W398 AromaticContact CZ2-NE1 3.32Å; W394-W398 VanDerWaalsContact CZ2-NE1 3.32Å; W394-W398 AromaticContact CZ3-CD1 3.34Å; W394-W398 HydrophobicContact CZ3-CG 4.46Å; W394-W398 AromaticContact CZ3-NE1 3.39Å; L395-W398 PolarHBondContact O-N 3.43Å; E396-W398 PolarHBondContact O-N 3.05Å; W398-L401 HydrophobicContact CE3-CD2 4.03Å; W398-L401 HydrophobicContact CZ3-CD2 4.1Å; W398-L401 PolarHBondContact O-N 3.45Å; W398-H402 WeakPolarHBondContact O-CB 3.45Å; W398-H402 PolarHBondContact O-N 3.34Å; W398-A420 HydrophobicContact CD2-CB 3.76Å; W398-A420 HydrophobicContact CE3-CB 3.85Å; W398-A420 HydrophobicContact CG-CB 4.42Å; W398-A420 HydrophobicContact CH2-CB 3.81Å; W398-A420 HydrophobicContact CZ2-CB 3.73Å; W398-A420 WeakPolarHBondContact CZ2-O 3.29Å; W398-A420 HydrophobicContact CZ3-CB 3.88Å; W398-Q423 VanDerWaalsContact NE1-NE2 3.13Å
399	Q	98.3	Very high	97.9	Very high	57 Å²	57	44.1 Å²	44.1	27%	0.266	26%	0.257	S	S	.	.	H	α-helix	trans	-67.2	-40.3	174.9	-70.1	174.8	-36.8	0	0	111.6	I376 L395 E396 H402 H403	I376-Q399 HydrophobicContact CG2-CG 4.08Å; L395-Q399 WeakPolarHBondContact O-CG 3.3Å; L395-Q399 PolarHBondContact O-N 3.15Å; E396-Q399 PolarHBondContact O-N 2.8Å; Q399-H402 WeakPolarHBondContact O-CB 3.44Å; Q399-H402 PolarHBondContact O-N 3.21Å; Q399-H403 WeakPolarHBondContact O-CB 3.29Å; Q399-H403 PolarHBondContact O-N 2.82Å
400	G	98.2	Very high	97.8	Very high	12 Å²	12	44.3 Å²	44.3	12%	0.124	25%	0.245	C	C	.	.	H	α-helix	trans	-60.8	-44.7	171.9	0	0	0	0	0	111.8	E396 H402 H403 A404 F416	E396-G400 PolarHBondContact O-N 2.89Å; G400-H402 PolarHBondContact O-N 2.88Å; G400-H403 PolarHBondContact O-N 3.06Å; G400-A404 VanDerWaalsContact O-CB 3.3Å; G400-A404 WeakPolarHBondContact O-CB 3.28Å; G400-A404 PolarHBondContact O-N 3.31Å; G400-F416 WeakPolarHBondContact O-CD2 3.49Å
401	L	98.6	Very high	97.8	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.3	-47.2	173	178.9	60.6	0	0	0	111.4	F357 L372 N397 W398 H403 A404 I405 I413 F416 R417	F357-L401 HydrophobicContact CD1-CD2 3.83Å; F357-L401 HydrophobicContact CE1-CD2 4.18Å; F357-L401 HydrophobicContact CG-CD2 4.06Å; L372-L401 HydrophobicContact CD2-CD2 4.26Å; L372-L401 HydrophobicContact CD2-CG 4.06Å; N397-L401 PolarHBondContact O-N 3.19Å; W398-L401 HydrophobicContact CE3-CD2 4.03Å; W398-L401 HydrophobicContact CZ3-CD2 4.1Å; W398-L401 PolarHBondContact O-N 3.45Å; L401-H403 PolarHBondContact O-N 3.29Å; L401-A404 PolarHBondContact O-N 2.87Å; L401-I405 HydrophobicContact CD1-CD1 3.81Å; L401-I405 HydrophobicContact CD1-CG1 4.06Å; L401-I405 HydrophobicContact CG-CD1 3.85Å; L401-I405 HydrophobicContact CG-CG1 4.45Å; L401-I405 VanDerWaalsContact O-CG1 3.23Å; L401-I405 WeakPolarHBondContact O-CG1 3.14Å; L401-I405 PolarHBondContact O-N 3.43Å; L401-I413 HydrophobicContact CD1-CB 4.49Å; L401-I413 HydrophobicContact CD1-CG2 3.99Å; L401-I413 WeakPolarHBondContact CD1-O 3.35Å; L401-F416 HydrophobicContact CB-CB 3.85Å; L401-R417 HydrophobicContact CD1-CB 4.13Å; L401-R417 HydrophobicContact CD2-CB 4.49Å
402	H	98.3	Very high	97.8	Very high	47 Å²	47	50.2 Å²	50.2	22%	0.218	27%	0.271	C	S	.	.	H	α-helix	trans	-57.7	-50.5	178.4	176.5	-83	0	0	0	111.7	L372 T373 I376 W398 Q399 G400 I405 A406	L372-H402 HydrophobicContact CD2-CB 3.79Å; L372-H402 HydrophobicContact CG-CB 4.2Å; T373-H402 PolarHBondContact OG1-CD2 3Å; T373-H402 PolarHBondContact OG1-NE2 2.85Å; I376-H402 HydrophobicContact CD1-CB 3.77Å; W398-H402 WeakPolarHBondContact O-CB 3.45Å; W398-H402 PolarHBondContact O-N 3.34Å; Q399-H402 WeakPolarHBondContact O-CB 3.44Å; Q399-H402 PolarHBondContact O-N 3.21Å; G400-H402 PolarHBondContact O-N 2.88Å; H402-I405 PolarHBondContact O-N 3.13Å; H402-A406 WeakPolarHBondContact O-CB 3.21Å; H402-A406 PolarHBondContact O-N 2.88Å
403	H	97.8	Very high	97.9	Very high	106 Å²	106	48.3 Å²	48.3	49%	0.491	26%	0.262	S	S	.	.	H	α-helix	trans	-58.8	-49.3	177.6	178	75.6	0	0	0	111.5	Q399 G400 L401 I405 A406 T407 Q409	Q399-H403 WeakPolarHBondContact O-CB 3.29Å; Q399-H403 PolarHBondContact O-N 2.82Å; G400-H403 PolarHBondContact O-N 3.06Å; L401-H403 PolarHBondContact O-N 3.29Å; H403-I405 VanDerWaalsContact C-N 3.31Å; H403-I405 PolarHBondContact O-N 2.71Å; H403-A406 PolarHBondContact O-N 2.95Å; H403-A406 VanDerWaalsContact O-N 3.13Å; H403-T407 PolarHBondContact O-N 2.89Å; H403-T407 PolarHBondContact O-OG1 3.28Å; H403-T407 VanDerWaalsContact O-OG1 3.08Å; H403-Q409 PolarHBondContact CD2-NE2 2.87Å; H403-Q409 PolarHBondContact NE2-NE2 3.22Å
404	A	98.4	Very high	97.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-37.8	-178.8	0	0	0	0	0	112.6	G400 L401 G408 Q409 E412 I413	G400-A404 VanDerWaalsContact O-CB 3.3Å; G400-A404 WeakPolarHBondContact O-CB 3.28Å; G400-A404 PolarHBondContact O-N 3.31Å; L401-A404 PolarHBondContact O-N 2.87Å; A404-G408 PolarHBondContact O-N 3.27Å; A404-Q409 HydrophobicContact CB-CB 4.13Å; A404-Q409 PolarHBondContact O-N 3.06Å; A404-E412 HydrophobicContact CB-CB 3.71Å; A404-I413 HydrophobicContact CB-CB 4.45Å; A404-I413 HydrophobicContact CB-CG1 3.66Å
405	I	98.3	Very high	97.9	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.051	27%	0.273	C	S	.	.	H	α-helix	trans	-66	-46.6	173.6	-65.3	171	0	0	0	110.8	F357 Y365 L369 L372 L401 H402 H403 T407 G408 I413	F357-I405 HydrophobicContact CE1-CD1 4.14Å; Y365-I405 HydrophobicContact CD1-CD1 3.77Å; Y365-I405 HydrophobicContact CD1-CG1 4.15Å; Y365-I405 HydrophobicContact CG-CD1 4.27Å; Y365-I405 HydrophobicContact CG-CG1 4.23Å; L369-I405 HydrophobicContact CD1-CG2 4.04Å; L369-I405 HydrophobicContact CD2-CB 3.95Å; L369-I405 HydrophobicContact CD2-CG2 3.64Å; L369-I405 HydrophobicContact CG-CB 4.48Å; L369-I405 HydrophobicContact CG-CG2 3.62Å; L372-I405 HydrophobicContact CD2-CD1 3.97Å; L401-I405 HydrophobicContact CD1-CD1 3.81Å; L401-I405 HydrophobicContact CD1-CG1 4.06Å; L401-I405 HydrophobicContact CG-CD1 3.85Å; L401-I405 HydrophobicContact CG-CG1 4.45Å; L401-I405 VanDerWaalsContact O-CG1 3.23Å; L401-I405 WeakPolarHBondContact O-CG1 3.14Å; L401-I405 PolarHBondContact O-N 3.43Å; H402-I405 PolarHBondContact O-N 3.13Å; H403-I405 VanDerWaalsContact C-N 3.31Å; H403-I405 PolarHBondContact O-N 2.71Å; I405-T407 VanDerWaalsContact C-N 3.28Å; I405-T407 PolarHBondContact O-N 2.78Å; I405-G408 PolarHBondContact O-N 3.05Å; I405-I413 HydrophobicContact CG1-CD1 4.1Å; I405-I413 HydrophobicContact CG1-CG1 3.88Å; I405-I413 HydrophobicContact CG1-CG2 4.36Å
406	A	96.6	Very high	97.9	Very high	49 Å²	49	54.9 Å²	54.9	41%	0.405	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-36.1	-178.3	0	0	0	0	0	112.4	H402 H403	H402-A406 WeakPolarHBondContact O-CB 3.21Å; H402-A406 PolarHBondContact O-N 2.88Å; H403-A406 PolarHBondContact O-N 2.95Å; H403-A406 VanDerWaalsContact O-N 3.13Å
407	T	96.7	Very high	98	Very high	75 Å²	75	50.7 Å²	50.7	46%	0.46	26%	0.264	S	S	.	.	H	α-helix	trans	-96.2	-1.9	-179.6	64.4	0	0	0	0	114.2	H403 I405 Q409	H403-T407 PolarHBondContact O-N 2.89Å; H403-T407 PolarHBondContact O-OG1 3.28Å; H403-T407 VanDerWaalsContact O-OG1 3.08Å; I405-T407 VanDerWaalsContact C-N 3.28Å; I405-T407 PolarHBondContact O-N 2.78Å; T407-Q409 WeakPolarHBondContact OG1-CG 3.24Å; T407-Q409 PolarHBondContact OG1-NE2 3Å
408	G	97	Very high	97.9	Very high	51 Å²	51	52.4 Å²	52.4	53%	0.526	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	25.2	179	0	0	0	0	0	115.8	A404 I405 R410	A404-G408 PolarHBondContact O-N 3.27Å; I405-G408 PolarHBondContact O-N 3.05Å; G408-R410 PolarHBondContact O-N 3.14Å
409	Q	97.7	Very high	97.9	Very high	71 Å²	71	56 Å²	56	33%	0.332	29%	0.29	S	S	.	.			trans	-81.4	88.4	-177.2	-76.3	-178	100.6	0	0	111.7	H403 A404 T407 I411 E412 I413	H403-Q409 PolarHBondContact CD2-NE2 2.87Å; H403-Q409 PolarHBondContact NE2-NE2 3.22Å; A404-Q409 HydrophobicContact CB-CB 4.13Å; A404-Q409 PolarHBondContact O-N 3.06Å; T407-Q409 WeakPolarHBondContact OG1-CG 3.24Å; T407-Q409 PolarHBondContact OG1-NE2 3Å; Q409-I411 PolarHBondContact O-N 3.33Å; Q409-E412 HydrophobicContact CB-CB 3.96Å; Q409-E412 HydrophobicContact CB-CG 4.23Å; Q409-E412 WeakPolarHBondContact CB-OE2 3.25Å; Q409-E412 PolarHBondContact O-N 2.72Å; Q409-I413 WeakPolarHBondContact O-CG1 3.4Å; Q409-I413 PolarHBondContact O-N 2.97Å
410	R	96.7	Very high	97.9	Very high	119 Å²	119	53.5 Å²	53.5	45%	0.449	28%	0.279	S	S	.	.	H	α-helix	trans	-59.9	-36.7	-169	-63.7	-61.9	-66	-164.2	-9.5	115.2	G362 D363 G408	G362-R410 PolarHBondContact O-NH1 2.79Å; G362-R410 PolarHBondContact O-NH2 2.73Å; D363-R410 IonicContact OD1-NH1 2.84Å; D363-R410 IonicContact OD1-NH2 3.15Å; G408-R410 PolarHBondContact O-N 3.14Å
411	I	97.5	Very high	97.8	Very high	134 Å²	134	54.8 Å²	54.8	69%	0.687	28%	0.283	S	S	*	.	H	α-helix	trans	-71.7	-46.6	-178.4	-65.8	171.9	0	0	0	109.1	Q409 I413 E414 H415	Q409-I411 PolarHBondContact O-N 3.33Å; I411-I413 PolarHBondContact O-N 2.89Å; I411-E414 PolarHBondContact O-N 2.96Å; I411-H415 PolarHBondContact O-N 3Å
412	E	98.2	Very high	97.8	Very high	69 Å²	69	60.6 Å²	60.6	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-66.4	-37	-178.4	-66.5	65.6	-150.7	0	0	111.2	A404 Q409 E414 H415 F416	A404-E412 HydrophobicContact CB-CB 3.71Å; Q409-E412 HydrophobicContact CB-CB 3.96Å; Q409-E412 HydrophobicContact CB-CG 4.23Å; Q409-E412 WeakPolarHBondContact CB-OE2 3.25Å; Q409-E412 PolarHBondContact O-N 2.72Å; E412-E414 PolarHBondContact O-N 2.99Å; E412-H415 PolarHBondContact O-N 2.98Å; E412-F416 HydrophobicContact CB-CD2 4.35Å; E412-F416 HydrophobicContact CB-CE2 4.42Å; E412-F416 VanDerWaalsContact O-CD2 3.26Å; E412-F416 WeakPolarHBondContact O-CD2 3.44Å; E412-F416 PolarHBondContact O-N 2.81Å
413	I	98.5	Very high	97.7	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-55.3	-52.5	173.5	-73	167.2	0	0	0	110.6	Y365 L401 A404 I405 Q409 I411 R417	Y365-I413 HydrophobicContact CD1-CG2 4.02Å; Y365-I413 HydrophobicContact CD2-CD1 4.48Å; Y365-I413 HydrophobicContact CD2-CG2 3.72Å; Y365-I413 HydrophobicContact CE1-CG2 3.75Å; Y365-I413 HydrophobicContact CE2-CG2 3.43Å; Y365-I413 VanDerWaalsContact CE2-CG2 3.43Å; Y365-I413 HydrophobicContact CG-CG2 4.03Å; Y365-I413 VanDerWaalsContact CZ-CG2 3.43Å; L401-I413 HydrophobicContact CD1-CB 4.49Å; L401-I413 HydrophobicContact CD1-CG2 3.99Å; L401-I413 WeakPolarHBondContact CD1-O 3.35Å; A404-I413 HydrophobicContact CB-CB 4.45Å; A404-I413 HydrophobicContact CB-CG1 3.66Å; I405-I413 HydrophobicContact CG1-CD1 4.1Å; I405-I413 HydrophobicContact CG1-CG1 3.88Å; I405-I413 HydrophobicContact CG1-CG2 4.36Å; Q409-I413 WeakPolarHBondContact O-CG1 3.4Å; Q409-I413 PolarHBondContact O-N 2.97Å; I411-I413 PolarHBondContact O-N 2.89Å; I413-R417 WeakPolarHBondContact O-CB 3.38Å; I413-R417 PolarHBondContact O-N 2.83Å
414	E	98	Very high	97.6	Very high	51 Å²	51	61.7 Å²	61.7	24%	0.238	32%	0.32	C	S	.	.	H	α-helix	trans	-70.6	-35.1	-178.2	-68.8	-58.6	150.7	0	0	112.1	Y365 I411 E412 R417 N418	Y365-E414 PolarHBondContact OH-OE1 2.91Å; I411-E414 PolarHBondContact O-N 2.96Å; E412-E414 PolarHBondContact O-N 2.99Å; E414-R417 IonicContact OE2-CZ 3.7Å; E414-R417 VanDerWaalsContact OE2-CZ 3.26Å; E414-R417 IonicContact OE2-NE 2.93Å; E414-R417 PolarHBondContact OE2-NE 2.83Å; E414-R417 IonicContact OE2-NH2 3.59Å; E414-R417 PolarHBondContact OE2-NH2 3.28Å; E414-N418 WeakPolarHBondContact O-CB 3.33Å; E414-N418 VanDerWaalsContact O-CG 3.25Å; E414-N418 PolarHBondContact O-N 2.91Å; E414-N418 VanDerWaalsContact O-N 3.07Å; E414-N418 PolarHBondContact O-ND2 2.75Å
415	H	98.3	Very high	97.5	Very high	96 Å²	96	63.4 Å²	63.4	44%	0.444	33%	0.331	S	S	.	.	H	α-helix	trans	-58.1	-60.1	173.6	173.7	59.1	0	0	0	111.2	I411 E412 R417 N418 E419	I411-H415 PolarHBondContact O-N 3Å; E412-H415 PolarHBondContact O-N 2.98Å; H415-R417 VanDerWaalsContact C-N 3.32Å; H415-R417 PolarHBondContact O-N 2.81Å; H415-N418 PolarHBondContact O-N 2.8Å; H415-N418 VanDerWaalsContact O-N 3.1Å; H415-E419 PolarHBondContact O-N 3.2Å
416	F	98.5	Very high	97.4	Very high	54 Å²	54	64.5 Å²	64.5	24%	0.237	34%	0.336	C	S	.	.	H	α-helix	trans	-65.5	-33.7	-178	-75.8	-61.3	0	0	0	112.9	G400 L401 E412 N418 E419 A420	G400-F416 WeakPolarHBondContact O-CD2 3.49Å; L401-F416 HydrophobicContact CB-CB 3.85Å; E412-F416 HydrophobicContact CB-CD2 4.35Å; E412-F416 HydrophobicContact CB-CE2 4.42Å; E412-F416 VanDerWaalsContact O-CD2 3.26Å; E412-F416 WeakPolarHBondContact O-CD2 3.44Å; E412-F416 PolarHBondContact O-N 2.81Å; F416-N418 VanDerWaalsContact C-N 3.32Å; F416-N418 PolarHBondContact O-N 2.92Å; F416-E419 PolarHBondContact O-N 2.88Å; F416-A420 WeakPolarHBondContact O-CB 3.34Å; F416-A420 PolarHBondContact O-N 3.35Å
417	R	98.5	Very high	97.4	Very high	21 Å²	21	62.6 Å²	62.6	8%	0.079	32%	0.318	C	S	.	.	H	α-helix	trans	-60	-42.7	172.6	-172.6	-170.1	64.1	63.4	10.8	111.4	F357 Y365 L401 I413 E414 H415 N421	F357-R417 HydrophobicContact CB-CG 4.37Å; F357-R417 WeakPolarHBondContact O-CD 3.31Å; F357-R417 VanDerWaalsContact O-CG 3.25Å; F357-R417 WeakPolarHBondContact O-CG 3.42Å; Y365-R417 VanDerWaalsContact OH-CD 3.28Å; Y365-R417 WeakPolarHBondContact OH-CD 3.27Å; Y365-R417 PolarHBondContact OH-NE 3.18Å; L401-R417 HydrophobicContact CD1-CB 4.13Å; L401-R417 HydrophobicContact CD2-CB 4.49Å; I413-R417 WeakPolarHBondContact O-CB 3.38Å; I413-R417 PolarHBondContact O-N 2.83Å; E414-R417 IonicContact OE2-CZ 3.7Å; E414-R417 VanDerWaalsContact OE2-CZ 3.26Å; E414-R417 IonicContact OE2-NE 2.93Å; E414-R417 PolarHBondContact OE2-NE 2.83Å; E414-R417 IonicContact OE2-NH2 3.59Å; E414-R417 PolarHBondContact OE2-NH2 3.28Å; H415-R417 VanDerWaalsContact C-N 3.32Å; H415-R417 PolarHBondContact O-N 2.81Å; R417-N421 PolarHBondContact O-N 2.9Å; R417-N421 PolarHBondContact O-ND2 3.23Å
418	N	98.1	Very high	97.3	Very high	68 Å²	68	63.2 Å²	63.2	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-68.3	-48.2	178.5	-71.7	-34.7	0	0	0	111.3	E414 H415 F416 A420 N421 N422	E414-N418 WeakPolarHBondContact O-CB 3.33Å; E414-N418 VanDerWaalsContact O-CG 3.25Å; E414-N418 PolarHBondContact O-N 2.91Å; E414-N418 VanDerWaalsContact O-N 3.07Å; E414-N418 PolarHBondContact O-ND2 2.75Å; H415-N418 PolarHBondContact O-N 2.8Å; H415-N418 VanDerWaalsContact O-N 3.1Å; F416-N418 VanDerWaalsContact C-N 3.32Å; F416-N418 PolarHBondContact O-N 2.92Å; N418-A420 VanDerWaalsContact C-N 3.33Å; N418-A420 PolarHBondContact O-N 3.26Å; N418-N421 PolarHBondContact O-N 3.44Å; N418-N422 WeakPolarHBondContact O-CB 3.36Å; N418-N422 PolarHBondContact O-N 2.83Å; N418-N422 PolarHBondContact O-ND2 2.71Å
419	E	98.3	Very high	96.8	Very high	82 Å²	82	63.1 Å²	63.1	38%	0.383	30%	0.303	S	S	.	.	H	α-helix	trans	-56.7	-46.6	176.6	-65.1	-54.9	125.9	0	0	111.6	N397 H415 F416 N421 N422 Q423	N397-E419 HydrophobicContact CB-CB 4.42Å; N397-E419 WeakPolarHBondContact OD1-CB 3.32Å; H415-E419 PolarHBondContact O-N 3.2Å; F416-E419 PolarHBondContact O-N 2.88Å; E419-N421 VanDerWaalsContact C-N 3.29Å; E419-N421 PolarHBondContact O-N 3.45Å; E419-N422 PolarHBondContact O-N 3.35Å; E419-N422 VanDerWaalsContact O-N 3.15Å; E419-Q423 PolarHBondContact O-N 2.97Å; E419-Q423 VanDerWaalsContact O-N 3.13Å
420	A	98	Very high	95.6	Very high	4 Å²	4	65.3 Å²	65.3	3%	0.033	33%	0.327	C	S	.	.	H	α-helix	trans	-63.2	-29.8	179.6	0	0	0	0	0	114.2	N397 W398 F416 N418 Q423	N397-A420 HydrophobicContact CB-CB 4.01Å; W398-A420 HydrophobicContact CD2-CB 3.76Å; W398-A420 HydrophobicContact CE3-CB 3.85Å; W398-A420 HydrophobicContact CG-CB 4.42Å; W398-A420 HydrophobicContact CH2-CB 3.81Å; W398-A420 HydrophobicContact CZ2-CB 3.73Å; W398-A420 WeakPolarHBondContact CZ2-O 3.29Å; W398-A420 HydrophobicContact CZ3-CB 3.88Å; F416-A420 WeakPolarHBondContact O-CB 3.34Å; F416-A420 PolarHBondContact O-N 3.35Å; N418-A420 VanDerWaalsContact C-N 3.33Å; N418-A420 PolarHBondContact O-N 3.26Å; A420-Q423 VanDerWaalsContact O-CG 3.25Å; A420-Q423 WeakPolarHBondContact O-CG 3.36Å
421	N	97	Very high	94.1	Very high	39 Å²	39	62.6 Å²	62.6	21%	0.209	34%	0.336	C	S	.	.	H	α-helix	trans	-83.8	-26.2	175.8	-78.7	-58.4	0	0	0	113.2	F357 R417 N418 E419	F357-N421 PolarHBondContact O-ND2 3.45Å; R417-N421 PolarHBondContact O-N 2.9Å; R417-N421 PolarHBondContact O-ND2 3.23Å; N418-N421 PolarHBondContact O-N 3.44Å; E419-N421 VanDerWaalsContact C-N 3.29Å; E419-N421 PolarHBondContact O-N 3.45Å
422	N	97.2	Very high	92.4	Very high	122 Å²	122	60.3 Å²	60.3	65%	0.652	32%	0.321	S	S	*	.	H	α-helix	trans	-81.8	-27.2	-178.5	-70.5	-19.3	0	0	0	112.8	N418 E419	N418-N422 WeakPolarHBondContact O-CB 3.36Å; N418-N422 PolarHBondContact O-N 2.83Å; N418-N422 PolarHBondContact O-ND2 2.71Å; E419-N422 PolarHBondContact O-N 3.35Å; E419-N422 VanDerWaalsContact O-N 3.15Å
423	Q	96.4	Very high	89.9	Confident	40 Å²	40	71 Å²	71	19%	0.187	36%	0.358	C	S	.	.	S	Bend	trans	-70.5	143.7	178.9	60.6	-179.2	7.1	0	0	113.6	W394 N397 W398 E419 A420	W394-Q423 VanDerWaalsContact CD1-CD 3.44Å; W394-Q423 PolarHBondContact O-NE2 2.85Å; W394-Q423 PolarHBondContact O-OE1 2.84Å; N397-Q423 PolarHBondContact ND2-OE1 2.98Å; W398-Q423 VanDerWaalsContact NE1-NE2 3.13Å; E419-Q423 PolarHBondContact O-N 2.97Å; E419-Q423 VanDerWaalsContact O-N 3.13Å; A420-Q423 VanDerWaalsContact O-CG 3.25Å; A420-Q423 WeakPolarHBondContact O-CG 3.36Å
424	E	95.2	Very high	89.4	Confident	136 Å²	136	74.4 Å²	74.4	64%	0.636	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-86.3	154.8	176.8	-70.9	-167.1	-171.6	0	0	113.1	W394 K432	W394-E424 PolarHBondContact NE1-O 3.48Å; E424-K432 IonicContact OE2-NZ 3.65Å; E424-K432 PolarHBondContact OE2-NZ 3.07Å
425	P	96.4	Very high	89	Confident	36 Å²	36	75.6 Å²	75.6	23%	0.234	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-57.9	136.4	167	-25.4	36.2	0	0	0	113.1	W427 K432	P425-W427 HydrophobicContact CB-CD2 4.05Å; P425-W427 HydrophobicContact CB-CE3 3.95Å; P425-W427 HydrophobicContact CB-CH2 3.61Å; P425-W427 HydrophobicContact CB-CZ2 3.75Å; P425-W427 HydrophobicContact CB-CZ3 3.74Å; P425-W427 HydrophobicContact CG-CH2 4.01Å; P425-W427 HydrophobicContact CG-CZ2 4.14Å; P425-K432 PolarHBondContact O-NZ 3.38Å; P425-K432 VanDerWaalsContact O-NZ 3.1Å
426	F	97.1	Very high	88.5	Confident	34 Å²	34	74.4 Å²	74.4	15%	0.149	38%	0.379	C	S	.	.			trans	-92.5	-12.1	175	61.6	-97.4	0	0	0	113.9	L346 A383 Y386 V390 A391 W394	L346-F426 HydrophobicContact CD1-CE2 4.43Å; L346-F426 HydrophobicContact CD2-CZ 4.42Å; A383-F426 HydrophobicContact CB-CE2 4.01Å; A383-F426 HydrophobicContact CB-CZ 3.77Å; Y386-F426 HydrophobicContact CD1-CD2 4.18Å; Y386-F426 WeakPolarHBondContact CD1-O 3.33Å; Y386-F426 AromaticContact CD2-CD2 3.85Å; Y386-F426 HydrophobicContact CD2-CD2 3.85Å; Y386-F426 AromaticContact CD2-CE2 3.66Å; Y386-F426 HydrophobicContact CD2-CE2 3.66Å; Y386-F426 HydrophobicContact CE2-CE2 4.44Å; Y386-F426 AromaticContact CG-CD2 3.62Å; Y386-F426 HydrophobicContact CG-CD2 3.62Å; Y386-F426 AromaticContact CG-CE2 3.88Å; Y386-F426 HydrophobicContact CG-CE2 3.88Å; V390-F426 HydrophobicContact CG1-CB 3.86Å; A391-F426 HydrophobicContact CB-CD2 4.18Å; A391-F426 HydrophobicContact CB-CE1 4.3Å; A391-F426 HydrophobicContact CB-CE2 3.86Å; A391-F426 HydrophobicContact CB-CZ 3.92Å; W394-F426 HydrophobicContact CB-CD1 3.69Å; W394-F426 HydrophobicContact CB-CE1 3.89Å; W394-F426 AromaticContact CD1-CD1 3.95Å; W394-F426 HydrophobicContact CD2-CD1 4.03Å; W394-F426 AromaticContact CD2-CE1 3.75Å; W394-F426 HydrophobicContact CD2-CE1 3.75Å; W394-F426 AromaticContact CE3-CE1 3.88Å; W394-F426 HydrophobicContact CE3-CE1 3.88Å; W394-F426 AromaticContact CG-CD1 3.59Å; W394-F426 HydrophobicContact CG-CD1 3.59Å; W394-F426 AromaticContact CG-CE1 3.76Å; W394-F426 HydrophobicContact CG-CE1 3.76Å
427	W	97.2	Very high	87.9	Confident	9 Å²	9	75.6 Å²	75.6	3%	0.034	39%	0.387	C	S	.	.	S	Bend	trans	-96.9	164.1	-175.3	66.3	93.9	0	0	0	113.6	L346 S347 A350 Y386 W394 P425 H429	L346-W427 HydrophobicContact CB-CD2 3.78Å; L346-W427 HydrophobicContact CB-CE3 4.3Å; L346-W427 HydrophobicContact CB-CG 3.91Å; L346-W427 HydrophobicContact CB-CZ2 4.45Å; L346-W427 HydrophobicContact CD1-CB 3.7Å; L346-W427 HydrophobicContact CD1-CD2 4.23Å; L346-W427 HydrophobicContact CD1-CG 3.85Å; S347-W427 PolarHBondContact OG-NE1 3.16Å; A350-W427 HydrophobicContact CB-CH2 3.37Å; A350-W427 HydrophobicContact CB-CZ2 3.55Å; Y386-W427 HydrophobicContact CD2-CB 4.2Å; Y386-W427 VanDerWaalsContact CE1-CA 3.48Å; Y386-W427 HydrophobicContact CE1-CB 4.01Å; Y386-W427 HydrophobicContact CE2-CB 3.46Å; Y386-W427 VanDerWaalsContact CE2-CB 3.46Å; Y386-W427 WeakPolarHBondContact OH-CB 3.36Å; W394-W427 HydrophobicContact CZ2-CH2 4.15Å; W394-W427 HydrophobicContact CZ2-CZ3 4.05Å; P425-W427 HydrophobicContact CB-CD2 4.05Å; P425-W427 HydrophobicContact CB-CE3 3.95Å; P425-W427 HydrophobicContact CB-CH2 3.61Å; P425-W427 HydrophobicContact CB-CZ2 3.75Å; P425-W427 HydrophobicContact CB-CZ3 3.74Å; P425-W427 HydrophobicContact CG-CH2 4.01Å; P425-W427 HydrophobicContact CG-CZ2 4.14Å; W427-H429 PolarHBondContact O-CD2 3.15Å; W427-H429 PolarHBondContact O-N 2.94Å
428	L	94.3	Very high	87.2	Confident	88 Å²	88	79.1 Å²	79.1	46%	0.461	41%	0.407	S	S	.	.			trans	-71.5	117.5	172.9	-171.6	73.4	0	0	0	109.8	Y386 K432	Y386-L428 PolarHBondContact OH-N 3.17Å; L428-K432 WeakPolarHBondContact CD1-O 3.29Å
429	H	86.5	Confident	86.5	Confident	48 Å²	48	79.8 Å²	79.8	22%	0.222	41%	0.41	C	S	.	.			trans	-133.9	166.6	176.9	64.6	89.4	0	0	0	110.5	W427 G431 K432	W427-H429 PolarHBondContact O-CD2 3.15Å; W427-H429 PolarHBondContact O-N 2.94Å; H429-G431 PolarHBondContact ND1-N 2.84Å; H429-G431 VanDerWaalsContact ND1-N 3.2Å; H429-G431 PolarHBondContact O-N 2.84Å; H429-K432 CarbonylContact O-C 3.37Å; H429-K432 PolarHBondContact O-N 2.83Å
430	S	71.7	Confident	85.7	Confident	118 Å²	118	79.6 Å²	79.6	83%	0.825	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-16.8	-174.8	54	0	0	0	0	115.6
431	G	65.8	Low	84.7	Confident	62 Å²	62	85.5 Å²	85.5	64%	0.639	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-12.2	175.7	0	0	0	0	0	115.3	H429	H429-G431 PolarHBondContact ND1-N 2.84Å; H429-G431 VanDerWaalsContact ND1-N 3.2Å; H429-G431 PolarHBondContact O-N 2.84Å
432	K	61.4	Low	83.7	Confident	86 Å²	86	89.3 Å²	89.3	37%	0.374	46%	0.46	S	S	.	.			trans	-121.1	89.8	172.7	-75.2	-176.8	-179.4	-177.8	0	106.4	E424 P425 L428 H429	E424-K432 IonicContact OE2-NZ 3.65Å; E424-K432 PolarHBondContact OE2-NZ 3.07Å; P425-K432 PolarHBondContact O-NZ 3.38Å; P425-K432 VanDerWaalsContact O-NZ 3.1Å; L428-K432 WeakPolarHBondContact CD1-O 3.29Å; H429-K432 CarbonylContact O-C 3.37Å; H429-K432 PolarHBondContact O-N 2.83Å
433	R	45.1	Very low	82.5	Confident	293 Å²	293	86.4 Å²	86.4	100%	1.106	44%	0.442	S	S	*	.			trans	-97.8	0	168.2	-80.4	-167.8	-173.8	-173.1	2.7	110

Retrieved 433 of 433 residues in 551.9 ms (Link to these results)

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