A0A5K4FCR8_SCHMA Loading...

Hydroxymethylglutaryl-CoA synthase

Catalyzes the condensation of acetyl-CoA with acetoacetyl-CoA to form HMG-CoA.

AlphaFold DB , UniProt , Accession A0A5K4FCR8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 514 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.9	Very low	34.9	Very low	238 Å²	238	141.8 Å²	141.8	100%	1.172	79%	0.787	S	S	*	*				0	112.9	0	-65.6	-171.4	-175.3	0	0	107.9
2	P	32.1	Very low	36	Very low	131 Å²	131	135.1 Å²	135.1	85%	0.851	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-84.1	125.8	168.3	24.2	-12	0	0	0	108.7	C4	P2-C4 PolarHBondContact O-N 3.5Å
3	S	30.7	Very low	37.5	Very low	111 Å²	111	129.5 Å²	129.5	78%	0.776	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-57.3	129.3	-178.9	41.1	0	0	0	0	111.6	V5	S3-V5 PolarHBondContact O-N 2.54Å
4	C	29.8	Very low	38.8	Very low	130 Å²	130	131.9 Å²	131.9	88%	0.878	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-62.3	116.6	171.6	-75.8	0	0	0	0	109.6	P2 G6	P2-C4 PolarHBondContact O-N 3.5Å; C4-G6 PolarHBondContact O-N 3.36Å
5	V	32.4	Very low	41.1	Very low	122 Å²	122	126.7 Å²	126.7	74%	0.739	71%	0.71	S	S	*	*			trans	-59.6	112.3	171.9	177.7	0	0	0	0	108.8	S3 R7	S3-V5 PolarHBondContact O-N 2.54Å; V5-R7 HydrophobicContact CG1-CG 4.11Å; V5-R7 PolarHBondContact O-N 3.25Å
6	G	28.9	Very low	44.1	Very low	78 Å²	78	119.6 Å²	119.6	80%	0.804	67%	0.67	S	S	*	*			trans	-69.5	78.4	168.9	0	0	0	0	0	111.1	C4 K8	C4-G6 PolarHBondContact O-N 3.36Å; G6-K8 VanDerWaalsContact C-N 3.3Å; G6-K8 PolarHBondContact O-N 3.07Å
7	R	32.2	Very low	47.1	Very low	172 Å²	172	114 Å²	114	65%	0.649	64%	0.637	S	S	*	*			trans	-80.8	84.6	157.4	-79.9	-168.4	-174	171.1	3.1	108	V5 Y9	V5-R7 HydrophobicContact CG1-CG 4.11Å; V5-R7 PolarHBondContact O-N 3.25Å; R7-Y9 HydrophobicContact CB-CD2 3.83Å; R7-Y9 HydrophobicContact CB-CE2 3.73Å; R7-Y9 WeakPolarHBondContact CD-OH 3.3Å; R7-Y9 HydrophobicContact CG-CE2 4.08Å; R7-Y9 PolarHBondContact NH1-OH 3.31Å; R7-Y9 PolarHBondContact O-N 3.3Å
8	K	35.4	Very low	49.9	Very low	207 Å²	207	107.7 Å²	107.7	90%	0.9	60%	0.602	S	S	*	*			trans	-69	81.8	156	-82	-175.3	176.3	179	0	107	G6 L10	G6-K8 VanDerWaalsContact C-N 3.3Å; G6-K8 PolarHBondContact O-N 3.07Å; K8-L10 PolarHBondContact O-N 2.81Å
9	Y	43.2	Very low	52.4	Low	128 Å²	128	102 Å²	102	50%	0.502	57%	0.57	S	S	.	*			trans	-59.8	128.9	160.6	-78.3	-77.3	0	0	0	107.2	R7 V11	R7-Y9 HydrophobicContact CB-CD2 3.83Å; R7-Y9 HydrophobicContact CB-CE2 3.73Å; R7-Y9 WeakPolarHBondContact CD-OH 3.3Å; R7-Y9 HydrophobicContact CG-CE2 4.08Å; R7-Y9 PolarHBondContact NH1-OH 3.31Å; R7-Y9 PolarHBondContact O-N 3.3Å; Y9-V11 PolarHBondContact O-N 3.39Å
10	L	46.1	Very low	54.6	Low	100 Å²	100	98.7 Å²	98.7	52%	0.524	55%	0.551	S	S	.	*			trans	-45.2	115	177.4	-143	91.4	0	0	0	108.4	K8 M12	K8-L10 PolarHBondContact O-N 2.81Å; L10-M12 VanDerWaalsContact C-N 3.31Å; L10-M12 PolarHBondContact O-N 2.93Å
11	V	41	Very low	56.6	Low	143 Å²	143	94.1 Å²	94.1	87%	0.867	53%	0.525	S	S	*	.			trans	-70.3	97.2	171.1	178.4	0	0	0	0	105.5	Y9 S13	Y9-V11 PolarHBondContact O-N 3.39Å; V11-S13 PolarHBondContact O-N 2.62Å
12	M	47.6	Very low	59.8	Low	61 Å²	61	82.8 Å²	82.8	30%	0.3	47%	0.469	S	S	.	.			trans	-63.5	130.6	178	-60.8	-178.9	72.8	0	0	108	L10 D16 L426 H428	L10-M12 VanDerWaalsContact C-N 3.31Å; L10-M12 PolarHBondContact O-N 2.93Å; M12-D16 WeakPolarHBondContact CE-OD2 3.45Å; M12-L426 HydrophobicContact CE-CD2 4.28Å; M12-H428 VanDerWaalsContact CE-CD2 3.42Å; M12-H428 WeakPolarHBondContact CE-CD2 3.36Å
13	S	55.9	Low	62.9	Low	63 Å²	63	77 Å²	77	44%	0.441	43%	0.431	S	S	.	.			trans	-73.6	152.9	-176.8	84	0	0	0	0	109.4	V11 S15 D16	V11-S13 PolarHBondContact O-N 2.62Å; S13-S15 PolarHBondContact O-N 3.04Å; S13-S15 PolarHBondContact OG-N 3.25Å; S13-S15 PolarHBondContact OG-OG 3.37Å; S13-D16 PolarHBondContact N-OD1 3.04Å; S13-D16 PolarHBondContact O-N 2.94Å; S13-D16 VanDerWaalsContact O-OD1 3.11Å
14	N	56.4	Low	66.1	Low	162 Å²	162	71.7 Å²	71.7	87%	0.866	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-4	177	-76.7	-11.9	0	0	0	114.3
15	S	72.3	Confident	69.4	Low	54 Å²	54	65.6 Å²	65.6	38%	0.378	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	40.5	-176	52.9	0	0	0	0	112.6	S13 F17	S13-S15 PolarHBondContact O-N 3.04Å; S13-S15 PolarHBondContact OG-N 3.25Å; S13-S15 PolarHBondContact OG-OG 3.37Å; S15-F17 VanDerWaalsContact C-N 3.31Å; S15-F17 WeakPolarHBondContact O-CD2 3.21Å; S15-F17 WeakPolarHBondContact O-CG 3.35Å; S15-F17 PolarHBondContact O-N 2.79Å
16	D	89	Confident	72.5	Confident	14 Å²	14	59.8 Å²	59.8	8%	0.075	32%	0.317	C	S	.	.			trans	-52.5	88.4	178.2	-69.7	-27.7	0	0	0	112.9	M12 S13 N183 A184 V187 R431	M12-D16 WeakPolarHBondContact CE-OD2 3.45Å; S13-D16 PolarHBondContact N-OD1 3.04Å; S13-D16 PolarHBondContact O-N 2.94Å; S13-D16 VanDerWaalsContact O-OD1 3.11Å; D16-N183 PolarHBondContact O-N 3.45Å; D16-A184 PolarHBondContact O-N 3.41Å; D16-A184 VanDerWaalsContact O-N 3.15Å; D16-V187 HydrophobicContact CB-CG1 3.83Å; D16-V187 HydrophobicContact CB-CG2 3.98Å; D16-R431 VanDerWaalsContact CB-NH1 3.33Å; D16-R431 IonicContact OD2-CZ 3.6Å; D16-R431 IonicContact OD2-NH1 2.66Å; D16-R431 IonicContact OD2-NH2 2.79Å; D16-R431 PolarHBondContact OD2-NH2 2.68Å
17	F	95.8	Very high	75.8	Confident	24 Å²	24	56 Å²	56	11%	0.105	28%	0.279	C	S	.	.			trans	-74.5	142.5	-179.3	-68.4	-64.7	0	0	0	110.7	S15 L139 L142 E143 G181 P182 I188 F190	S15-F17 VanDerWaalsContact C-N 3.31Å; S15-F17 WeakPolarHBondContact O-CD2 3.21Å; S15-F17 WeakPolarHBondContact O-CG 3.35Å; S15-F17 PolarHBondContact O-N 2.79Å; F17-L139 HydrophobicContact CB-CD2 4.38Å; F17-L142 HydrophobicContact CD1-CB 4.02Å; F17-L142 HydrophobicContact CD1-CD1 4.04Å; F17-L142 HydrophobicContact CD1-CD2 4.23Å; F17-L142 HydrophobicContact CD1-CG 4.33Å; F17-L142 HydrophobicContact CD2-CB 4.42Å; F17-L142 HydrophobicContact CE1-CB 4.03Å; F17-L142 HydrophobicContact CE1-CD2 4.03Å; F17-L142 HydrophobicContact CE1-CG 4.45Å; F17-L142 HydrophobicContact CE2-CB 4.41Å; F17-L142 HydrophobicContact CG-CB 4.24Å; F17-L142 HydrophobicContact CG-CD1 4.46Å; F17-L142 HydrophobicContact CZ-CB 4.23Å; F17-L142 WeakPolarHBondContact CZ-O 3.42Å; F17-E143 HydrophobicContact CD2-CG 3.98Å; F17-E143 HydrophobicContact CE2-CG 4.18Å; F17-G181 WeakPolarHBondContact CA-O 3.2Å; F17-P182 HydrophobicContact CD1-CB 4.01Å; F17-P182 HydrophobicContact CE1-CB 3.82Å; F17-P182 HydrophobicContact CE1-CG 4.29Å; F17-I188 PolarHBondContact O-N 2.84Å; F17-I188 VanDerWaalsContact O-N 3.1Å; F17-F190 HydrophobicContact CB-CE2 3.93Å; F17-F190 HydrophobicContact CB-CZ 3.78Å; F17-F190 HydrophobicContact CD2-CZ 4.42Å
18	G	97	Very high	79	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.9	-157.4	176.5	0	0	0	0	0	112.1	L180 G181 A184 L186	G18-L180 WeakPolarHBondContact O-CA 3.13Å; G18-L180 WeakPolarHBondContact O-CD2 3.43Å; G18-G181 PolarHBondContact N-O 3.39Å; G18-G181 VanDerWaalsContact N-O 3.09Å; G18-G181 PolarHBondContact O-N 3.38Å; G18-G181 VanDerWaalsContact O-N 3.11Å; G18-A184 VanDerWaalsContact CA-CB 3.41Å; G18-A184 WeakPolarHBondContact O-CB 3.38Å; G18-L186 CarbonylContact C-O 3.5Å; G18-L186 VanDerWaalsContact CA-O 3.24Å; G18-L186 WeakPolarHBondContact CA-O 3.36Å
19	I	98	Very high	82	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	118.3	-173.9	-55.9	171.8	0	0	0	110.1	L22 I178 L180 P185 L186 L392 I425	I19-L22 HydrophobicContact CG2-CD1 4.2Å; I19-L22 HydrophobicContact CG2-CD2 3.82Å; I19-L22 HydrophobicContact CG2-CG 3.66Å; I19-I178 HydrophobicContact CB-CG2 4.39Å; I19-I178 HydrophobicContact CD1-CG2 4.05Å; I19-I178 HydrophobicContact CG1-CG2 3.74Å; I19-I178 HydrophobicContact CG2-CG2 3.97Å; I19-L180 HydrophobicContact CB-CD2 4.47Å; I19-L180 HydrophobicContact CG1-CD2 3.78Å; I19-P185 WeakPolarHBondContact O-CD 3.4Å; I19-L186 HydrophobicContact CB-CB 3.9Å; I19-L186 HydrophobicContact CB-CD2 4.42Å; I19-L186 HydrophobicContact CD1-CD2 4.42Å; I19-L186 PolarHBondContact N-O 2.92Å; I19-L186 PolarHBondContact O-N 3.2Å; I19-L392 HydrophobicContact CD1-CD2 3.74Å; I19-I425 HydrophobicContact CD1-CD1 4.04Å
20	I	96.7	Very high	84.6	Confident	36 Å²	36	36.1 Å²	36.1	19%	0.185	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-43.3	175.8	-63.9	177.1	0	0	0	110.6	M151 L179 G181 A184	I20-M151 HydrophobicContact CD1-SD 3.91Å; I20-L179 HydrophobicContact CB-CD2 4.36Å; I20-L179 HydrophobicContact CB-CG 4.37Å; I20-L179 HydrophobicContact CG2-CD2 4.2Å; I20-L179 PolarHBondContact N-O 2.88Å; I20-G181 VanDerWaalsContact CD1-CA 3.47Å; I20-A184 HydrophobicContact CG1-CB 4.22Å
21	A	97.3	Very high	87.1	Confident	2 Å²	2	31.3 Å²	31.3	2%	0.017	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	147.2	-177.5	0	0	0	0	0	111.9	L75 I79 L179	A21-L75 HydrophobicContact CB-CD1 3.88Å; A21-I79 HydrophobicContact CB-CD1 3.93Å; A21-I79 HydrophobicContact CB-CG2 4.46Å; A21-L179 HydrophobicContact CB-CB 3.99Å; A21-L179 HydrophobicContact CB-CD2 4.17Å; A21-L179 PolarHBondContact N-O 3.18Å; A21-L179 PolarHBondContact O-N 3.18Å
22	L	98	Very high	89.8	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142	175.2	-70.7	169.4	0	0	0	109.7	I19 R78 V176 A177 I178 L392 V393 L396 V436 L437	I19-L22 HydrophobicContact CG2-CD1 4.2Å; I19-L22 HydrophobicContact CG2-CD2 3.82Å; I19-L22 HydrophobicContact CG2-CG 3.66Å; L22-R78 PolarHBondContact O-NH2 3.03Å; L22-V176 HydrophobicContact CD2-CG1 4.11Å; L22-A177 CarbonylContact C-O 3.43Å; L22-A177 WeakPolarHBondContact CA-O 3.38Å; L22-I178 HydrophobicContact CD2-CB 4.1Å; L22-I178 HydrophobicContact CD2-CG1 3.76Å; L22-I178 HydrophobicContact CD2-CG2 3.89Å; L22-L392 HydrophobicContact CD1-CD2 4.16Å; L22-L392 HydrophobicContact CD1-CG 4.32Å; L22-V393 HydrophobicContact CB-CG2 4.21Å; L22-V393 HydrophobicContact CD1-CG2 4.02Å; L22-L396 HydrophobicContact CD1-CD1 3.78Å; L22-V436 HydrophobicContact CB-CG1 4.38Å; L22-V436 HydrophobicContact CD1-CG1 3.96Å; L22-V436 HydrophobicContact CG-CG1 4.13Å; L22-V436 PolarHBondContact N-O 3.26Å; L22-L437 HydrophobicContact CB-CD2 3.66Å; L22-L437 HydrophobicContact CB-CG 4.43Å
23	E	97.2	Very high	92.2	Very high	10 Å²	10	22.4 Å²	22.4	5%	0.047	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.9	168	-171.5	64.4	-126.7	0	0	108.8	V71 N74 L75 R78 V176 A177 R453	E23-V71 HydrophobicContact CB-CG2 3.94Å; E23-V71 HydrophobicContact CG-CG2 3.88Å; E23-V71 WeakPolarHBondContact CG-O 3.17Å; E23-V71 VanDerWaalsContact O-CG2 3.26Å; E23-V71 WeakPolarHBondContact O-CG2 3.21Å; E23-N74 HydrophobicContact CG-CB 3.77Å; E23-L75 HydrophobicContact CB-CB 3.72Å; E23-L75 HydrophobicContact CB-CD1 3.99Å; E23-L75 HydrophobicContact CB-CG 4.36Å; E23-L75 HydrophobicContact CG-CB 4.17Å; E23-R78 WeakPolarHBondContact OE2-CD 3.41Å; E23-R78 IonicContact OE2-CZ 2.76Å; E23-R78 IonicContact OE2-NE 3.39Å; E23-R78 PolarHBondContact OE2-NE 3.42Å; E23-V176 CarbonylContact O-C 3.59Å; E23-V176 VanDerWaalsContact O-CA 3.23Å; E23-V176 WeakPolarHBondContact O-CA 3.35Å; E23-A177 HydrophobicContact CB-CB 4.33Å; E23-A177 PolarHBondContact N-O 3.09Å; E23-A177 PolarHBondContact O-N 2.82Å; E23-R453 IonicContact OE1-NH1 3.73Å
24	I	98.2	Very high	94.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	136	179.5	-169	169.4	0	0	0	111.7	F26 A175 V176 F376 A390 V393 I450 R453	I24-F26 HydrophobicContact CD1-CD1 4.38Å; I24-F26 HydrophobicContact CG1-CD1 4.19Å; I24-F26 HydrophobicContact CG2-CE1 4.31Å; I24-A175 WeakPolarHBondContact CA-O 3.39Å; I24-V176 HydrophobicContact CB-CG2 4.35Å; I24-V176 HydrophobicContact CD1-CG2 4.21Å; I24-V176 HydrophobicContact CG1-CG2 3.94Å; I24-F376 HydrophobicContact CD1-CD1 4.03Å; I24-F376 HydrophobicContact CD1-CD2 3.88Å; I24-F376 HydrophobicContact CD1-CE1 4.04Å; I24-F376 HydrophobicContact CD1-CE2 3.89Å; I24-F376 HydrophobicContact CD1-CG 3.96Å; I24-F376 HydrophobicContact CD1-CZ 3.97Å; I24-F376 HydrophobicContact CG2-CZ 4.28Å; I24-A390 HydrophobicContact CD1-CB 3.86Å; I24-V393 HydrophobicContact CG2-CG1 4.13Å; I24-I450 HydrophobicContact CG2-CD1 4.09Å; I24-I450 HydrophobicContact CG2-CG1 4.38Å; I24-I450 HydrophobicContact CG2-CG2 3.87Å; I24-R453 PolarHBondContact O-NH1 2.9Å; I24-R453 PolarHBondContact O-NH2 3.15Å
25	Y	98.5	Very high	96.2	Very high	1 Å²	1	18.4 Å²	18.4	0%	0.004	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	140.9	168.4	-176.2	-99.5	0	0	0	110.4	E62 I67 T70 G174 A175 F492 S495	Y25-E62 WeakPolarHBondContact CE1-OE1 3.42Å; Y25-E62 VanDerWaalsContact CZ-OE1 3.31Å; Y25-E62 PolarHBondContact OH-OE1 3.4Å; Y25-I67 HydrophobicContact CD1-CB 3.76Å; Y25-I67 HydrophobicContact CD1-CG2 3.92Å; Y25-I67 HydrophobicContact CE1-CB 3.94Å; Y25-I67 HydrophobicContact CE1-CG2 3.56Å; Y25-T70 HydrophobicContact CD2-CG2 3.39Å; Y25-T70 HydrophobicContact CE2-CG2 3.48Å; Y25-T70 VanDerWaalsContact CE2-CG2 3.48Å; Y25-T70 HydrophobicContact CG-CG2 4.08Å; Y25-G174 CarbonylContact O-C 3.54Å; Y25-G174 WeakPolarHBondContact O-CA 3.4Å; Y25-A175 PolarHBondContact N-O 3.37Å; Y25-A175 PolarHBondContact O-N 3.43Å; Y25-F492 HydrophobicContact CE2-CD2 4.2Å; Y25-S495 WeakPolarHBondContact CE2-OG 3.28Å; Y25-S495 PolarHBondContact OH-OG 3.47Å; Y25-S495 VanDerWaalsContact OH-OG 3.09Å
26	F	98.6	Very high	97.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.077	C	C	.	.			trans	-145.6	153.1	171.3	44.4	-97.5	0	0	0	107.8	I24 F376 I380 I450 R453 L454 R458 F492	I24-F26 HydrophobicContact CD1-CD1 4.38Å; I24-F26 HydrophobicContact CG1-CD1 4.19Å; I24-F26 HydrophobicContact CG2-CE1 4.31Å; F26-F376 HydrophobicContact CD1-CD1 4.1Å; F26-F376 AromaticContact CD1-CE1 3.88Å; F26-F376 HydrophobicContact CD1-CE1 3.88Å; F26-F376 HydrophobicContact CE1-CD1 4.1Å; F26-F376 AromaticContact CE1-CE1 3.44Å; F26-F376 HydrophobicContact CE1-CE1 3.44Å; F26-F376 VanDerWaalsContact CE1-CE1 3.44Å; F26-F376 HydrophobicContact CE1-CZ 4.34Å; F26-F376 HydrophobicContact CZ-CE1 4.24Å; F26-I380 HydrophobicContact CB-CD1 3.76Å; F26-I380 HydrophobicContact CB-CG1 4.04Å; F26-I380 HydrophobicContact CB-CG2 4.22Å; F26-I380 HydrophobicContact CD2-CD1 3.81Å; F26-I380 HydrophobicContact CG-CD1 3.77Å; F26-I380 HydrophobicContact CG-CG1 4.23Å; F26-I450 HydrophobicContact CE1-CG2 4.33Å; F26-R453 HydrophobicContact CE2-CB 4.21Å; F26-R453 HydrophobicContact CZ-CB 3.9Å; F26-L454 HydrophobicContact CD2-CD1 4.43Å; F26-L454 HydrophobicContact CE2-CB 4.19Å; F26-L454 HydrophobicContact CE2-CD1 4.07Å; F26-L454 HydrophobicContact CZ-CB 3.81Å; F26-L454 HydrophobicContact CZ-CD1 4.17Å; F26-R458 HydrophobicContact CE2-CG 4.42Å; F26-F492 HydrophobicContact CD2-CE2 4.11Å; F26-F492 HydrophobicContact CD2-CZ 4.44Å; F26-F492 HydrophobicContact CE2-CE2 4.04Å; F26-F492 AromaticContact CE2-CZ 4Å; F26-F492 HydrophobicContact CE2-CZ 4Å; F26-F492 WeakPolarHBondContact O-CE2 3.47Å
27	P	98.2	Very high	97.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.073	C	C	.	.			trans	-63.3	151.8	179.4	-18.9	29	0	0	0	112.2	F57 A173	P27-F57 WeakPolarHBondContact CB-O 3.45Å; P27-A173 WeakPolarHBondContact CD-O 3.36Å; P27-A173 HydrophobicContact CG-CB 3.71Å
28	K	98.2	Very high	97.9	Very high	35 Å²	35	18.9 Å²	18.9	15%	0.152	9%	0.092	C	C	.	.	S	Bend	trans	-78	-33.6	176.7	-166.2	173.8	172.6	-162.1	0	112.2	E457 R458 T459 E489 G490 L491 F492	K28-E457 WeakPolarHBondContact CE-O 3.34Å; K28-E457 WeakPolarHBondContact CG-O 3.41Å; K28-R458 CarbonylContact O-C 3.56Å; K28-R458 VanDerWaalsContact O-CA 3.25Å; K28-R458 WeakPolarHBondContact O-CA 3.26Å; K28-R458 VanDerWaalsContact O-CB 3.23Å; K28-R458 WeakPolarHBondContact O-CB 3.11Å; K28-T459 PolarHBondContact O-N 3.49Å; K28-E489 WeakPolarHBondContact CD-O 3.45Å; K28-E489 WeakPolarHBondContact CE-O 3.43Å; K28-E489 PolarHBondContact NZ-O 3.49Å; K28-G490 WeakPolarHBondContact CB-O 2.99Å; K28-L491 VanDerWaalsContact CD-C 3.48Å; K28-L491 WeakPolarHBondContact CD-O 3.11Å; K28-L491 PolarHBondContact NZ-O 3.04Å; K28-L491 VanDerWaalsContact NZ-O 3.14Å; K28-F492 HydrophobicContact CB-CD2 4.01Å; K28-F492 HydrophobicContact CB-CE1 4.35Å; K28-F492 HydrophobicContact CB-CE2 3.73Å; K28-F492 HydrophobicContact CB-CG 4.44Å; K28-F492 HydrophobicContact CB-CZ 3.92Å; K28-F492 HydrophobicContact CD-CD1 4.03Å; K28-F492 HydrophobicContact CD-CE1 4.1Å; K28-F492 HydrophobicContact CD-CG 4.33Å; K28-F492 HydrophobicContact CD-CZ 4.47Å; K28-F492 HydrophobicContact CG-CD1 4.24Å; K28-F492 HydrophobicContact CG-CD2 4.49Å; K28-F492 HydrophobicContact CG-CE1 3.86Å; K28-F492 HydrophobicContact CG-CE2 4.14Å; K28-F492 HydrophobicContact CG-CZ 3.81Å
29	F	98.2	Very high	97.9	Very high	5 Å²	5	21.3 Å²	21.3	2%	0.022	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	140.7	175.4	-72.1	-47	0	0	0	112.2	G56 F57 T459 V461 M469 E489	F29-G56 WeakPolarHBondContact O-CA 3.31Å; F29-F57 HydrophobicContact CB-CD1 4.38Å; F29-F57 HydrophobicContact CB-CE1 3.8Å; F29-F57 HydrophobicContact CB-CE2 4.21Å; F29-F57 HydrophobicContact CB-CZ 3.68Å; F29-F57 HydrophobicContact CG-CZ 4.33Å; F29-F57 PolarHBondContact O-N 2.98Å; F29-T459 WeakPolarHBondContact CA-O 3.26Å; F29-T459 HydrophobicContact CD1-CG2 4.04Å; F29-T459 HydrophobicContact CE1-CG2 3.92Å; F29-V461 HydrophobicContact CD1-CG1 3.64Å; F29-V461 HydrophobicContact CE1-CG1 4.08Å; F29-V461 HydrophobicContact CG-CG1 4.22Å; F29-M469 HydrophobicContact CD2-CE 4.44Å; F29-M469 HydrophobicContact CD2-SD 4.15Å; F29-M469 HydrophobicContact CE2-CE 4.05Å; F29-M469 HydrophobicContact CE2-SD 4.16Å; F29-M469 HydrophobicContact CZ-CE 4.17Å; F29-E489 HydrophobicContact CE1-CG 4.4Å; F29-E489 HydrophobicContact CZ-CG 4.11Å
30	Y	98.4	Very high	97.8	Very high	48 Å²	48	22.4 Å²	22.4	19%	0.188	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	158.2	168.9	76.9	-83.7	0	0	0	112.3	S54 L55 R458 T459 Q460 V461	Y30-S54 VanDerWaalsContact CD2-CB 3.45Å; Y30-L55 CarbonylContact C-O 3.6Å; Y30-L55 WeakPolarHBondContact CA-O 3.46Å; Y30-L55 WeakPolarHBondContact CB-O 3.16Å; Y30-R458 HydrophobicContact CD1-CB 3.69Å; Y30-R458 HydrophobicContact CE1-CB 3.86Å; Y30-T459 WeakPolarHBondContact CD1-O 3.45Å; Y30-T459 PolarHBondContact N-O 2.93Å; Y30-Q460 HydrophobicContact CD1-CB 4.43Å; Y30-Q460 HydrophobicContact CD2-CG 4.29Å; Y30-Q460 HydrophobicContact CE1-CB 3.77Å; Y30-Q460 HydrophobicContact CE1-CG 4.5Å; Y30-Q460 VanDerWaalsContact CE1-N 3.31Å; Y30-Q460 HydrophobicContact CE2-CB 3.86Å; Y30-Q460 HydrophobicContact CE2-CG 3.68Å; Y30-Q460 VanDerWaalsContact CZ-CB 3.45Å; Y30-Q460 CarbonylContact O-C 3.55Å; Y30-Q460 WeakPolarHBondContact O-CA 3.19Å; Y30-Q460 WeakPolarHBondContact OH-CB 3.33Å; Y30-Q460 PolarHBondContact OH-OE1 3.47Å; Y30-V461 PolarHBondContact O-N 3.18Å
31	V	98.3	Very high	97.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.4	167.2	64.2	0	0	0	0	109.5	L36 S54 L55 V461 V463 F466	V31-L36 HydrophobicContact CG1-CD1 3.66Å; V31-L36 HydrophobicContact CG1-CG 4.13Å; V31-L36 HydrophobicContact CG2-CD1 4.43Å; V31-L36 HydrophobicContact CG2-CD2 4.31Å; V31-L36 HydrophobicContact CG2-CG 3.98Å; V31-S54 WeakPolarHBondContact O-CA 3.4Å; V31-L55 HydrophobicContact CG1-CB 3.85Å; V31-L55 HydrophobicContact CG1-CD2 4.11Å; V31-L55 HydrophobicContact CG1-CG 4.28Å; V31-L55 PolarHBondContact N-O 3.26Å; V31-L55 PolarHBondContact O-N 2.92Å; V31-V461 HydrophobicContact CB-CG2 4.32Å; V31-V463 HydrophobicContact CG2-CG2 4.16Å; V31-F466 HydrophobicContact CB-CB 4.17Å; V31-F466 HydrophobicContact CB-CD1 4.46Å; V31-F466 HydrophobicContact CB-CG 4.15Å; V31-F466 HydrophobicContact CG1-CB 4.49Å; V31-F466 HydrophobicContact CG1-CD1 3.96Å; V31-F466 HydrophobicContact CG1-CD2 4.07Å; V31-F466 HydrophobicContact CG1-CE1 4.1Å; V31-F466 HydrophobicContact CG1-CE2 4.22Å; V31-F466 HydrophobicContact CG1-CG 3.92Å; V31-F466 HydrophobicContact CG1-CZ 4.21Å; V31-F466 HydrophobicContact CG2-CB 4.27Å; V31-F466 HydrophobicContact CG2-CD1 4.49Å; V31-F466 HydrophobicContact CG2-CG 4.47Å
32	S	98.5	Very high	97.7	Very high	17 Å²	17	30.6 Å²	30.6	12%	0.119	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	131.7	175.2	161.2	0	0	0	0	110.1	H34 D35 L36	S32-H34 VanDerWaalsContact C-N 3.25Å; S32-H34 PolarHBondContact O-N 3.42Å; S32-H34 PolarHBondContact OG-N 3.43Å; S32-D35 WeakPolarHBondContact CB-OD1 3.36Å; S32-D35 WeakPolarHBondContact CB-OD2 3.23Å; S32-D35 PolarHBondContact O-N 2.88Å; S32-D35 VanDerWaalsContact OG-CG 3.29Å; S32-D35 PolarHBondContact OG-N 3.13Å; S32-D35 VanDerWaalsContact OG-N 3.12Å; S32-D35 PolarHBondContact OG-OD1 3.14Å; S32-L36 PolarHBondContact O-N 3.46Å
33	Q	98.2	Very high	97.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.8	-32.1	174.7	-71	-81.7	9.9	0	0	111.2	L36 E37 T47 Q52 K53 P169	Q33-L36 PolarHBondContact O-N 3.08Å; Q33-E37 VanDerWaalsContact O-CG 3.32Å; Q33-E37 WeakPolarHBondContact O-CG 3.39Å; Q33-E37 PolarHBondContact O-N 2.69Å; Q33-T47 HydrophobicContact CB-CG2 4.08Å; Q33-Q52 WeakPolarHBondContact CB-O 3.36Å; Q33-Q52 HydrophobicContact CG-CB 3.73Å; Q33-K53 WeakPolarHBondContact CB-O 3.49Å; Q33-K53 VanDerWaalsContact CG-C 3.49Å; Q33-K53 PolarHBondContact N-O 3.34Å; Q33-P169 PolarHBondContact NE2-O 3.36Å
34	H	98.4	Very high	97.7	Very high	88 Å²	88	35.7 Å²	35.7	41%	0.407	19%	0.192	S	C	.	.	H	α-helix	trans	-66.5	-40.6	175	-176.7	56.8	0	0	0	111.8	S32 L36 E37 I38 T47	S32-H34 VanDerWaalsContact C-N 3.25Å; S32-H34 PolarHBondContact O-N 3.42Å; S32-H34 PolarHBondContact OG-N 3.43Å; H34-L36 VanDerWaalsContact C-N 3.32Å; H34-L36 PolarHBondContact O-N 3.34Å; H34-E37 IonicContact ND1-OE2 3Å; H34-E37 WeakPolarHBondContact O-CB 3.2Å; H34-E37 PolarHBondContact O-N 2.87Å; H34-E37 VanDerWaalsContact O-N 3.16Å; H34-I38 WeakPolarHBondContact O-CG1 3.06Å; H34-I38 PolarHBondContact O-N 3.48Å; H34-T47 HydrophobicContact CB-CG2 4.19Å
35	D	98.2	Very high	97.6	Very high	52 Å²	52	41 Å²	41	28%	0.278	22%	0.215	S	C	.	.	H	α-helix	trans	-67.9	-38.4	178.9	-57.9	8.5	0	0	0	110.1	S32 E37 I38 A39 Q460 V463	S32-D35 WeakPolarHBondContact CB-OD1 3.36Å; S32-D35 WeakPolarHBondContact CB-OD2 3.23Å; S32-D35 PolarHBondContact O-N 2.88Å; S32-D35 VanDerWaalsContact OG-CG 3.29Å; S32-D35 PolarHBondContact OG-N 3.13Å; S32-D35 VanDerWaalsContact OG-N 3.12Å; S32-D35 PolarHBondContact OG-OD1 3.14Å; D35-E37 VanDerWaalsContact C-N 3.35Å; D35-I38 PolarHBondContact O-N 2.89Å; D35-A39 PolarHBondContact O-N 3.22Å; D35-Q460 PolarHBondContact OD2-NE2 3.09Å; D35-Q460 VanDerWaalsContact OD2-NE2 3.08Å; D35-V463 HydrophobicContact CB-CG2 3.93Å
36	L	97.2	Very high	97.6	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-60	-42.8	170.4	-77.8	173.1	0	0	0	111.9	V31 S32 Q33 H34 I38 A39 D40 Y46 L55 V463 F466	V31-L36 HydrophobicContact CG1-CD1 3.66Å; V31-L36 HydrophobicContact CG1-CG 4.13Å; V31-L36 HydrophobicContact CG2-CD1 4.43Å; V31-L36 HydrophobicContact CG2-CD2 4.31Å; V31-L36 HydrophobicContact CG2-CG 3.98Å; S32-L36 PolarHBondContact O-N 3.46Å; Q33-L36 PolarHBondContact O-N 3.08Å; H34-L36 VanDerWaalsContact C-N 3.32Å; H34-L36 PolarHBondContact O-N 3.34Å; L36-I38 VanDerWaalsContact C-N 3.32Å; L36-I38 PolarHBondContact O-N 3.05Å; L36-A39 PolarHBondContact O-N 3.17Å; L36-D40 VanDerWaalsContact O-CB 3.22Å; L36-D40 WeakPolarHBondContact O-CB 3.12Å; L36-D40 VanDerWaalsContact O-CG 3.25Å; L36-D40 PolarHBondContact O-N 2.76Å; L36-Y46 HydrophobicContact CB-CD2 4.04Å; L36-Y46 HydrophobicContact CB-CE2 4.02Å; L36-L55 HydrophobicContact CD1-CD2 4.25Å; L36-V463 HydrophobicContact CD2-CG1 3.97Å; L36-V463 HydrophobicContact CD2-CG2 4.17Å; L36-V463 HydrophobicContact CG-CG2 4.47Å; L36-F466 HydrophobicContact CD2-CD1 4.04Å; L36-F466 HydrophobicContact CD2-CE1 4.02Å
37	E	97.6	Very high	97.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-39.4	176.8	-74.5	174.5	160.9	0	0	112.8	Q33 H34 D35 D40 E41 C42 G44 K45 Y46 T47	Q33-E37 VanDerWaalsContact O-CG 3.32Å; Q33-E37 WeakPolarHBondContact O-CG 3.39Å; Q33-E37 PolarHBondContact O-N 2.69Å; H34-E37 IonicContact ND1-OE2 3Å; H34-E37 WeakPolarHBondContact O-CB 3.2Å; H34-E37 PolarHBondContact O-N 2.87Å; H34-E37 VanDerWaalsContact O-N 3.16Å; D35-E37 VanDerWaalsContact C-N 3.35Å; E37-D40 CarbonylContact O-C 3.57Å; E37-D40 PolarHBondContact O-N 3.46Å; E37-E41 PolarHBondContact O-N 3.01Å; E37-C42 PolarHBondContact O-N 3.44Å; E37-G44 VanDerWaalsContact OE1-CA 3.26Å; E37-G44 WeakPolarHBondContact OE1-CA 3.36Å; E37-G44 PolarHBondContact OE1-N 3.4Å; E37-G44 PolarHBondContact OE2-N 2.81Å; E37-K45 PolarHBondContact OE1-N 3.15Å; E37-K45 VanDerWaalsContact OE1-N 3.13Å; E37-Y46 HydrophobicContact CB-CD2 4.29Å; E37-Y46 HydrophobicContact CG-CD2 3.41Å; E37-Y46 VanDerWaalsContact CG-CD2 3.41Å; E37-Y46 HydrophobicContact CG-CE2 4.13Å; E37-Y46 HydrophobicContact CG-CG 3.69Å; E37-Y46 WeakPolarHBondContact OE1-CA 3.39Å; E37-Y46 PolarHBondContact OE1-N 3.27Å; E37-T47 PolarHBondContact OE1-N 3.15Å; E37-T47 PolarHBondContact OE1-OG1 3.09Å; E37-T47 PolarHBondContact OE2-OG1 3.36Å
38	I	97.9	Very high	97.5	Very high	100 Å²	100	49.9 Å²	49.9	51%	0.513	26%	0.26	S	S	.	.	H	α-helix	trans	-64.2	-48.6	176.4	-67.6	169.2	0	0	0	109.7	H34 D35 L36 D40 E41 V43	H34-I38 WeakPolarHBondContact O-CG1 3.06Å; H34-I38 PolarHBondContact O-N 3.48Å; D35-I38 PolarHBondContact O-N 2.89Å; L36-I38 VanDerWaalsContact C-N 3.32Å; L36-I38 PolarHBondContact O-N 3.05Å; I38-D40 VanDerWaalsContact C-N 3.25Å; I38-D40 PolarHBondContact O-N 3.1Å; I38-E41 PolarHBondContact O-N 3.29Å; I38-V43 HydrophobicContact CG1-CG2 4.38Å
39	A	96	Very high	97.4	Very high	51 Å²	51	50 Å²	50	42%	0.421	27%	0.271	S	S	.	.	H	α-helix	trans	-65.6	-28	179.6	0	0	0	0	0	113.5	D35 L36 V463	D35-A39 PolarHBondContact O-N 3.22Å; L36-A39 PolarHBondContact O-N 3.17Å; A39-V463 HydrophobicContact CB-CB 4.21Å; A39-V463 HydrophobicContact CB-CG1 3.74Å; A39-V463 HydrophobicContact CB-CG2 4.08Å
40	D	95.4	Very high	97.3	Very high	24 Å²	24	51.2 Å²	51.2	13%	0.128	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	3	179	-68.1	-7.9	0	0	0	113.4	L36 E37 I38 C42 Y46 K165	L36-D40 VanDerWaalsContact O-CB 3.22Å; L36-D40 WeakPolarHBondContact O-CB 3.12Å; L36-D40 VanDerWaalsContact O-CG 3.25Å; L36-D40 PolarHBondContact O-N 2.76Å; E37-D40 CarbonylContact O-C 3.57Å; E37-D40 PolarHBondContact O-N 3.46Å; I38-D40 VanDerWaalsContact C-N 3.25Å; I38-D40 PolarHBondContact O-N 3.1Å; D40-C42 VanDerWaalsContact C-N 3.33Å; D40-C42 PolarHBondContact O-N 2.94Å; D40-Y46 HydrophobicContact CB-CE2 4.27Å; D40-Y46 WeakPolarHBondContact OD2-CE2 3.5Å; D40-Y46 PolarHBondContact OD2-OH 3.11Å; D40-K165 WeakPolarHBondContact OD1-CE 3.45Å; D40-K165 IonicContact OD1-NZ 3.01Å; D40-K165 PolarHBondContact OD1-NZ 3.15Å
41	E	97	Very high	97.2	Very high	185 Å²	185	49.9 Å²	49.9	86%	0.864	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	42.5	-180	-57.6	179.1	179.7	0	0	113.4	E37 I38	E37-E41 PolarHBondContact O-N 3.01Å; I38-E41 PolarHBondContact O-N 3.29Å
42	C	95.9	Very high	97.2	Very high	25 Å²	25	49.9 Å²	49.9	17%	0.169	28%	0.278	C	S	.	.			trans	-141.6	42.4	-174.4	66.6	0	0	0	0	114.8	E37 D40 G44 K45 Y46	E37-C42 PolarHBondContact O-N 3.44Å; D40-C42 VanDerWaalsContact C-N 3.33Å; D40-C42 PolarHBondContact O-N 2.94Å; C42-G44 PolarHBondContact O-N 3.35Å; C42-K45 HydrophobicContact CB-CB 4.01Å; C42-K45 HydrophobicContact CB-CD 3.91Å; C42-K45 WeakPolarHBondContact O-CB 3.44Å; C42-K45 PolarHBondContact O-N 2.72Å; C42-Y46 PolarHBondContact SG-OH 3.11Å; C42-Y46 VanDerWaalsContact SG-OH 3.41Å
43	V	97.4	Very high	97.2	Very high	105 Å²	105	55.3 Å²	55.3	64%	0.636	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.3	127.8	179.4	-178.2	0	0	0	0	113	I38	I38-V43 HydrophobicContact CG1-CG2 4.38Å
44	G	96.7	Very high	97.2	Very high	12 Å²	12	55.7 Å²	55.7	12%	0.124	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	-16.5	-176.5	0	0	0	0	0	115.1	E37 C42 Y46 Q48 G49	E37-G44 VanDerWaalsContact OE1-CA 3.26Å; E37-G44 WeakPolarHBondContact OE1-CA 3.36Å; E37-G44 PolarHBondContact OE1-N 3.4Å; E37-G44 PolarHBondContact OE2-N 2.81Å; C42-G44 PolarHBondContact O-N 3.35Å; G44-Y46 PolarHBondContact O-N 3Å; G44-Q48 CarbonylContact O-C 3.59Å; G44-Q48 WeakPolarHBondContact O-CA 3.23Å; G44-Q48 VanDerWaalsContact O-CB 3.28Å; G44-Q48 WeakPolarHBondContact O-CB 3.45Å; G44-Q48 PolarHBondContact O-N 2.99Å; G44-Q48 VanDerWaalsContact O-N 3.08Å; G44-G49 PolarHBondContact O-N 3.18Å
45	K	97.1	Very high	97.2	Very high	112 Å²	112	51.7 Å²	51.7	49%	0.487	28%	0.284	S	S	.	.	I	π-helix	trans	-66	-38.3	-178.2	-172.7	178.5	175.7	-173.5	0	112.8	E37 C42 G49 L50	E37-K45 PolarHBondContact OE1-N 3.15Å; E37-K45 VanDerWaalsContact OE1-N 3.13Å; C42-K45 HydrophobicContact CB-CB 4.01Å; C42-K45 HydrophobicContact CB-CD 3.91Å; C42-K45 WeakPolarHBondContact O-CB 3.44Å; C42-K45 PolarHBondContact O-N 2.72Å; K45-G49 CarbonylContact O-C 3.52Å; K45-G49 WeakPolarHBondContact O-CA 3.46Å; K45-G49 PolarHBondContact O-N 2.94Å; K45-L50 PolarHBondContact O-N 3.29Å; K45-L50 VanDerWaalsContact O-N 3.09Å
46	Y	97.7	Very high	97.2	Very high	6 Å²	6	49.2 Å²	49.2	2%	0.024	27%	0.27	C	S	.	.	I	π-helix	trans	-94.4	-47.4	-176.2	-50.6	-24.1	0	0	0	111.2	L36 E37 D40 C42 G44 L50 G51 Q52 P169	L36-Y46 HydrophobicContact CB-CD2 4.04Å; L36-Y46 HydrophobicContact CB-CE2 4.02Å; E37-Y46 HydrophobicContact CB-CD2 4.29Å; E37-Y46 HydrophobicContact CG-CD2 3.41Å; E37-Y46 VanDerWaalsContact CG-CD2 3.41Å; E37-Y46 HydrophobicContact CG-CE2 4.13Å; E37-Y46 HydrophobicContact CG-CG 3.69Å; E37-Y46 WeakPolarHBondContact OE1-CA 3.39Å; E37-Y46 PolarHBondContact OE1-N 3.27Å; D40-Y46 HydrophobicContact CB-CE2 4.27Å; D40-Y46 WeakPolarHBondContact OD2-CE2 3.5Å; D40-Y46 PolarHBondContact OD2-OH 3.11Å; C42-Y46 PolarHBondContact SG-OH 3.11Å; C42-Y46 VanDerWaalsContact SG-OH 3.41Å; G44-Y46 PolarHBondContact O-N 3Å; Y46-L50 HydrophobicContact CD1-CD1 3.97Å; Y46-L50 CarbonylContact O-C 3.47Å; Y46-L50 VanDerWaalsContact O-CB 3.32Å; Y46-L50 WeakPolarHBondContact O-CB 3.2Å; Y46-L50 PolarHBondContact O-N 2.84Å; Y46-G51 PolarHBondContact O-N 2.94Å; Y46-Q52 PolarHBondContact O-N 3.18Å; Y46-P169 HydrophobicContact CD1-CB 3.91Å; Y46-P169 HydrophobicContact CD1-CG 3.82Å; Y46-P169 HydrophobicContact CD2-CB 3.99Å; Y46-P169 HydrophobicContact CD2-CG 3.91Å; Y46-P169 HydrophobicContact CE1-CB 4.1Å; Y46-P169 HydrophobicContact CE1-CG 3.47Å; Y46-P169 VanDerWaalsContact CE1-CG 3.47Å; Y46-P169 HydrophobicContact CE2-CB 4.17Å; Y46-P169 HydrophobicContact CE2-CG 3.56Å; Y46-P169 HydrophobicContact CG-CB 3.88Å; Y46-P169 HydrophobicContact CG-CG 4.05Å
47	T	98.1	Very high	97.3	Very high	44 Å²	44	49.6 Å²	49.6	27%	0.27	27%	0.272	S	S	.	.	I	π-helix	trans	-69.6	-41.3	-178.1	57.1	0	0	0	0	113	Q33 H34 E37 G51 Q52	Q33-T47 HydrophobicContact CB-CG2 4.08Å; H34-T47 HydrophobicContact CB-CG2 4.19Å; E37-T47 PolarHBondContact OE1-N 3.15Å; E37-T47 PolarHBondContact OE1-OG1 3.09Å; E37-T47 PolarHBondContact OE2-OG1 3.36Å; T47-G51 VanDerWaalsContact O-CA 3.26Å; T47-G51 WeakPolarHBondContact O-CA 3.36Å; T47-Q52 VanDerWaalsContact CA-O 3.27Å; T47-Q52 WeakPolarHBondContact CA-O 3.41Å
48	Q	96.4	Very high	97.3	Very high	137 Å²	137	49.9 Å²	49.9	64%	0.64	27%	0.274	S	S	*	.	I	π-helix	trans	-103	-43.8	178.4	-50.7	179	20.4	0	0	111.7	G44 R274	G44-Q48 CarbonylContact O-C 3.59Å; G44-Q48 WeakPolarHBondContact O-CA 3.23Å; G44-Q48 VanDerWaalsContact O-CB 3.28Å; G44-Q48 WeakPolarHBondContact O-CB 3.45Å; G44-Q48 PolarHBondContact O-N 2.99Å; G44-Q48 VanDerWaalsContact O-N 3.08Å; Q48-R274 PolarHBondContact O-NE 3.09Å; Q48-R274 PolarHBondContact O-NH2 3.31Å
49	G	96	Very high	97.2	Very high	37 Å²	37	45.1 Å²	45.1	38%	0.381	25%	0.249	S	C	.	.	I	π-helix	trans	-65.9	-49.7	-177.7	0	0	0	0	0	112.4	G44 K45 R274	G44-G49 PolarHBondContact O-N 3.18Å; K45-G49 CarbonylContact O-C 3.52Å; K45-G49 WeakPolarHBondContact O-CA 3.46Å; K45-G49 PolarHBondContact O-N 2.94Å; G49-R274 WeakPolarHBondContact O-CB 2.96Å; G49-R274 WeakPolarHBondContact O-CG 3.17Å
50	L	96.8	Very high	97.2	Very high	31 Å²	31	43.3 Å²	43.3	16%	0.162	23%	0.233	C	C	.	.	I	π-helix	trans	-89.8	-22.7	175.8	-54.7	175.1	0	0	0	112.9	K45 Y46 Q52 P169 T170 F272 T273 R274	K45-L50 PolarHBondContact O-N 3.29Å; K45-L50 VanDerWaalsContact O-N 3.09Å; Y46-L50 HydrophobicContact CD1-CD1 3.97Å; Y46-L50 CarbonylContact O-C 3.47Å; Y46-L50 VanDerWaalsContact O-CB 3.32Å; Y46-L50 WeakPolarHBondContact O-CB 3.2Å; Y46-L50 PolarHBondContact O-N 2.84Å; L50-Q52 HydrophobicContact CB-CG 3.89Å; L50-P169 HydrophobicContact CD1-CB 4.02Å; L50-T170 HydrophobicContact CD1-CG2 3.78Å; L50-T170 HydrophobicContact CD2-CG2 4.34Å; L50-F272 HydrophobicContact CB-CB 4.14Å; L50-F272 HydrophobicContact CB-CD2 4.34Å; L50-F272 HydrophobicContact CB-CG 4.39Å; L50-F272 HydrophobicContact CD2-CD1 4.36Å; L50-F272 HydrophobicContact CD2-CD2 3.95Å; L50-F272 HydrophobicContact CD2-CE2 4.15Å; L50-F272 HydrophobicContact CD2-CG 4.06Å; L50-F272 HydrophobicContact CD2-CZ 4.46Å; L50-T273 PolarHBondContact O-N 3.19Å; L50-T273 PolarHBondContact O-OG1 2.76Å; L50-R274 PolarHBondContact O-N 3.1Å
51	G	97.3	Very high	97.2	Very high	19 Å²	19	42.2 Å²	42.2	20%	0.196	23%	0.227	C	C	.	.			trans	76.1	32.6	-176.9	0	0	0	0	0	113	Y46 T47 T273	Y46-G51 PolarHBondContact O-N 2.94Å; T47-G51 VanDerWaalsContact O-CA 3.26Å; T47-G51 WeakPolarHBondContact O-CA 3.36Å; G51-T273 VanDerWaalsContact C-OG1 3.23Å; G51-T273 WeakPolarHBondContact CA-OG1 3.4Å; G51-T273 PolarHBondContact O-OG1 2.75Å
52	Q	97.9	Very high	97.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	19%	0.186	C	C	.	.			trans	-106.5	139.7	-175.4	-64.6	-67.4	16.7	0	0	112.5	Q33 Y46 T47 L50 F272 A377	Q33-Q52 WeakPolarHBondContact CB-O 3.36Å; Q33-Q52 HydrophobicContact CG-CB 3.73Å; Y46-Q52 PolarHBondContact O-N 3.18Å; T47-Q52 VanDerWaalsContact CA-O 3.27Å; T47-Q52 WeakPolarHBondContact CA-O 3.41Å; L50-Q52 HydrophobicContact CB-CG 3.89Å; Q52-F272 HydrophobicContact CG-CB 4.29Å; Q52-A377 PolarHBondContact NE2-O 3Å; Q52-A377 PolarHBondContact OE1-O 2.99Å
53	K	98.3	Very high	97.4	Very high	131 Å²	131	32.6 Å²	32.6	57%	0.57	18%	0.179	S	C	*	.	S	Bend	trans	-103	-47.9	179.6	-63	-174.7	174.9	-172.4	0	112.8	Q33 K378	Q33-K53 WeakPolarHBondContact CB-O 3.49Å; Q33-K53 VanDerWaalsContact CG-C 3.49Å; Q33-K53 PolarHBondContact N-O 3.34Å; K53-K378 WeakPolarHBondContact CA-O 3.47Å; K53-K378 WeakPolarHBondContact CB-O 3.35Å; K53-K378 HydrophobicContact CD-CB 4.5Å; K53-K378 HydrophobicContact CG-CB 4.4Å; K53-K378 PolarHBondContact N-O 3.08Å
54	S	98.3	Very high	97.4	Very high	8 Å²	8	27.6 Å²	27.6	6%	0.056	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	156	178	38.3	0	0	0	0	110.7	Y30 V31 K378 N379 R458	Y30-S54 VanDerWaalsContact CD2-CB 3.45Å; V31-S54 WeakPolarHBondContact O-CA 3.4Å; S54-K378 PolarHBondContact N-O 2.88Å; S54-N379 CarbonylContact O-C 3.56Å; S54-N379 WeakPolarHBondContact OG-CA 3.4Å; S54-N379 PolarHBondContact OG-O 3Å; S54-R458 PolarHBondContact OG-NH2 3.41Å
55	L	98.4	Very high	97.5	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	109.5	178.4	172.7	64	0	0	0	108.3	Y30 V31 L36 G171 F466	Y30-L55 CarbonylContact C-O 3.6Å; Y30-L55 WeakPolarHBondContact CA-O 3.46Å; Y30-L55 WeakPolarHBondContact CB-O 3.16Å; V31-L55 HydrophobicContact CG1-CB 3.85Å; V31-L55 HydrophobicContact CG1-CD2 4.11Å; V31-L55 HydrophobicContact CG1-CG 4.28Å; V31-L55 PolarHBondContact N-O 3.26Å; V31-L55 PolarHBondContact O-N 2.92Å; L36-L55 HydrophobicContact CD1-CD2 4.25Å; L55-G171 WeakPolarHBondContact CD1-O 3.41Å; L55-F466 HydrophobicContact CD2-CE1 4.28Å; L55-F466 HydrophobicContact CD2-CE2 4.17Å; L55-F466 HydrophobicContact CD2-CZ 3.58Å
56	G	98.5	Very high	97.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	137.9	173.6	0	0	0	0	0	110.6	F29 G172 I380	F29-G56 WeakPolarHBondContact O-CA 3.31Å; G56-G172 CarbonylContact O-C 3.26Å; G56-G172 WeakPolarHBondContact O-CA 3.31Å; G56-I380 PolarHBondContact N-O 2.84Å
57	F	97.9	Very high	97.6	Very high	10 Å²	10	22 Å²	22	4%	0.044	12%	0.122	C	C	.	.			trans	-147.2	147.7	-177.1	70.2	-82.1	0	0	0	112	P27 F29 V461 F466 M469	P27-F57 WeakPolarHBondContact CB-O 3.45Å; F29-F57 HydrophobicContact CB-CD1 4.38Å; F29-F57 HydrophobicContact CB-CE1 3.8Å; F29-F57 HydrophobicContact CB-CE2 4.21Å; F29-F57 HydrophobicContact CB-CZ 3.68Å; F29-F57 HydrophobicContact CG-CZ 4.33Å; F29-F57 PolarHBondContact O-N 2.98Å; F57-V461 HydrophobicContact CE1-CG2 3.61Å; F57-V461 HydrophobicContact CZ-CG1 4.34Å; F57-V461 HydrophobicContact CZ-CG2 3.58Å; F57-F466 HydrophobicContact CB-CE2 4.13Å; F57-F466 AromaticContact CD1-CD2 3.59Å; F57-F466 HydrophobicContact CD1-CD2 3.59Å; F57-F466 AromaticContact CD1-CE2 3.82Å; F57-F466 HydrophobicContact CD1-CE2 3.82Å; F57-F466 AromaticContact CD2-CD2 3.97Å; F57-F466 HydrophobicContact CD2-CD2 3.97Å; F57-F466 HydrophobicContact CD2-CE2 4.19Å; F57-F466 AromaticContact CE1-CD2 3.63Å; F57-F466 HydrophobicContact CE1-CD2 3.63Å; F57-F466 HydrophobicContact CE1-CE2 4.33Å; F57-F466 HydrophobicContact CE1-CG 4.48Å; F57-F466 AromaticContact CE2-CD2 3.99Å; F57-F466 HydrophobicContact CE2-CD2 3.99Å; F57-F466 AromaticContact CG-CD2 3.79Å; F57-F466 HydrophobicContact CG-CD2 3.79Å; F57-F466 AromaticContact CG-CE2 3.76Å; F57-F466 HydrophobicContact CG-CE2 3.76Å; F57-F466 HydrophobicContact CZ-CB 4.46Å; F57-F466 AromaticContact CZ-CD2 3.85Å; F57-F466 HydrophobicContact CZ-CD2 3.85Å; F57-M469 HydrophobicContact CE2-CB 3.99Å; F57-M469 HydrophobicContact CE2-CG 4.43Å; F57-M469 HydrophobicContact CE2-SD 3.56Å; F57-M469 VanDerWaalsContact CE2-SD 3.56Å; F57-M469 HydrophobicContact CZ-SD 3.88Å
58	C	97.4	Very high	97.7	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.034	11%	0.109	C	C	.	.			trans	-79.6	136.3	175.8	-70.1	0	0	0	0	110.7	E62 I159	C58-E62 HydrophobicContact CB-CB 3.74Å; C58-I159 HydrophobicContact CB-CD1 4.02Å; C58-I159 HydrophobicContact CB-CG2 4.38Å
59	S	95.9	Very high	97.8	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.007	8%	0.079	C	C	.	.			trans	-73.3	176.5	161.1	78.4	0	0	0	0	110.7	Q61 E62	S59-Q61 PolarHBondContact O-N 2.73Å; S59-Q61 VanDerWaalsContact O-N 3.12Å; S59-Q61 PolarHBondContact OG-N 3.07Å; S59-E62 PolarHBondContact O-N 3.39Å
60	I	96.4	Very high	97.9	Very high	13 Å²	13	11.7 Å²	11.7	7%	0.067	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-11.6	176.6	55	170.9	0	0	0	114.8	E62 E472 R473 F482 P484	I60-E62 VanDerWaalsContact C-N 3.31Å; I60-E472 HydrophobicContact CD1-CB 4.46Å; I60-E472 HydrophobicContact CG2-CB 3.9Å; I60-R473 HydrophobicContact CG2-CB 3.98Å; I60-F482 HydrophobicContact CB-CZ 4.28Å; I60-F482 HydrophobicContact CD1-CZ 4.03Å; I60-P484 HydrophobicContact CB-CB 4.46Å; I60-P484 HydrophobicContact CD1-CB 4.16Å; I60-P484 HydrophobicContact CG1-CB 4.04Å
61	Q	96.1	Very high	98	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.6	173.1	-72.7	163.5	85	0	0	113.1	S59 P484 T485 Y497 L498	S59-Q61 PolarHBondContact O-N 2.73Å; S59-Q61 VanDerWaalsContact O-N 3.12Å; S59-Q61 PolarHBondContact OG-N 3.07Å; Q61-P484 HydrophobicContact CG-CB 3.82Å; Q61-T485 WeakPolarHBondContact CG-O 3.28Å; Q61-T485 PolarHBondContact NE2-O 3.04Å; Q61-Y497 CarbonylContact O-C 3.37Å; Q61-Y497 WeakPolarHBondContact O-CA 3.44Å; Q61-L498 PolarHBondContact O-N 2.93Å
62	E	98.1	Very high	98.1	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	4%	0.044	C	C	.	.			trans	-114.4	121	179.9	-67.5	177	95.5	0	0	110.6	Y25 C58 S59 I60 S66 I67 R473 L491	Y25-E62 WeakPolarHBondContact CE1-OE1 3.42Å; Y25-E62 VanDerWaalsContact CZ-OE1 3.31Å; Y25-E62 PolarHBondContact OH-OE1 3.4Å; C58-E62 HydrophobicContact CB-CB 3.74Å; S59-E62 PolarHBondContact O-N 3.39Å; I60-E62 VanDerWaalsContact C-N 3.31Å; E62-S66 WeakPolarHBondContact CA-OG 3.41Å; E62-I67 HydrophobicContact CB-CG2 4.38Å; E62-R473 PolarHBondContact O-NH1 2.78Å; E62-R473 VanDerWaalsContact O-NH1 3.1Å; E62-L491 HydrophobicContact CG-CD2 3.6Å
63	D	97.9	Very high	98.1	Very high	6 Å²	6	9.9 Å²	9.9	3%	0.032	5%	0.048	C	C	.	.			trans	-121.3	178.3	170	71.5	12.4	0	0	0	111.7	N65 S66 I67 R507 Y509	D63-N65 PolarHBondContact O-N 3.01Å; D63-N65 WeakPolarHBondContact OD1-CB 3.27Å; D63-N65 PolarHBondContact OD1-N 3.29Å; D63-S66 PolarHBondContact N-OG 2.93Å; D63-S66 PolarHBondContact O-N 3.39Å; D63-S66 VanDerWaalsContact O-N 3.17Å; D63-S66 PolarHBondContact O-OG 3.49Å; D63-S66 PolarHBondContact OD1-N 3.34Å; D63-S66 PolarHBondContact OD1-OG 3.18Å; D63-I67 PolarHBondContact O-N 3.14Å; D63-I67 VanDerWaalsContact O-N 3.1Å; D63-R507 IonicContact OD2-CZ 2.79Å; D63-R507 IonicContact OD2-NE 3.26Å; D63-R507 IonicContact OD2-NH1 3.67Å; D63-R507 PolarHBondContact OD2-NH1 2.9Å; D63-Y509 WeakPolarHBondContact OD1-CE1 3.38Å; D63-Y509 PolarHBondContact OD2-OH 2.74Å
64	I	98.7	Very high	98	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-54.6	-38.2	-179	-174.2	56.9	0	0	0	112.8	I67 C68 T93 T95 I97 T103 A157	I64-I67 HydrophobicContact CD1-CD1 4.11Å; I64-I67 HydrophobicContact CD1-CG1 4.33Å; I64-I67 VanDerWaalsContact O-CG1 3.31Å; I64-I67 WeakPolarHBondContact O-CG1 3.05Å; I64-C68 WeakPolarHBondContact O-CB 3.08Å; I64-C68 PolarHBondContact O-N 3.08Å; I64-C68 VanDerWaalsContact O-N 3.15Å; I64-C68 PolarHBondContact O-SG 2.9Å; I64-T93 WeakPolarHBondContact CD1-OG1 3.5Å; I64-T93 HydrophobicContact CG1-CG2 4.39Å; I64-T95 HydrophobicContact CB-CG2 3.94Å; I64-T95 HydrophobicContact CG2-CG2 4.5Å; I64-I97 HydrophobicContact CG2-CD1 3.53Å; I64-I97 HydrophobicContact CG2-CG1 3.68Å; I64-I97 HydrophobicContact CG2-CG2 4.22Å; I64-T103 HydrophobicContact CG1-CG2 4.46Å; I64-A157 HydrophobicContact CD1-CB 3.6Å; I64-A157 VanDerWaalsContact CD1-O 3.24Å; I64-A157 WeakPolarHBondContact CD1-O 3.38Å
65	N	98.7	Very high	97.9	Very high	11 Å²	11	3.8 Å²	3.8	6%	0.059	2%	0.021	C	C	.	.	H	α-helix	trans	-69.6	-46	179.9	-73.2	-34.5	0	0	0	111.1	D63 I67 C68 L69 I97 T103 V106 Y509	D63-N65 PolarHBondContact O-N 3.01Å; D63-N65 WeakPolarHBondContact OD1-CB 3.27Å; D63-N65 PolarHBondContact OD1-N 3.29Å; N65-I67 PolarHBondContact O-N 3.19Å; N65-C68 PolarHBondContact O-N 3.08Å; N65-L69 WeakPolarHBondContact O-CB 3.34Å; N65-L69 VanDerWaalsContact O-CG 3.32Å; N65-L69 WeakPolarHBondContact O-CG 3.26Å; N65-L69 PolarHBondContact O-N 2.88Å; N65-I97 WeakPolarHBondContact ND2-CD1 3.44Å; N65-T103 WeakPolarHBondContact OD1-CG2 3.35Å; N65-V106 HydrophobicContact CB-CG1 3.97Å; N65-Y509 HydrophobicContact CB-CE1 3.85Å; N65-Y509 HydrophobicContact CB-CE2 4.19Å; N65-Y509 VanDerWaalsContact CB-CZ 3.48Å; N65-Y509 VanDerWaalsContact CB-OH 3.23Å; N65-Y509 WeakPolarHBondContact CB-OH 3.38Å; N65-Y509 PolarHBondContact ND2-OH 3.35Å
66	S	98.7	Very high	97.7	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-62.7	-41.5	-179.2	67.2	0	0	0	0	112.7	E62 D63 L69 T70	E62-S66 WeakPolarHBondContact CA-OG 3.41Å; D63-S66 PolarHBondContact N-OG 2.93Å; D63-S66 PolarHBondContact O-N 3.39Å; D63-S66 VanDerWaalsContact O-N 3.17Å; D63-S66 PolarHBondContact O-OG 3.49Å; D63-S66 PolarHBondContact OD1-N 3.34Å; D63-S66 PolarHBondContact OD1-OG 3.18Å; S66-L69 PolarHBondContact O-N 2.93Å; S66-T70 WeakPolarHBondContact O-CB 3.41Å; S66-T70 PolarHBondContact O-N 3.25Å; S66-T70 PolarHBondContact O-OG1 3.31Å
67	I	98.8	Very high	97.5	Very high	1 Å²	1	11 Å²	11	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-70.5	-33.7	177.9	68.6	176.4	0	0	0	111.5	Y25 E62 D63 I64 N65 V71 A157 I159 A175	Y25-I67 HydrophobicContact CD1-CB 3.76Å; Y25-I67 HydrophobicContact CD1-CG2 3.92Å; Y25-I67 HydrophobicContact CE1-CB 3.94Å; Y25-I67 HydrophobicContact CE1-CG2 3.56Å; E62-I67 HydrophobicContact CB-CG2 4.38Å; D63-I67 PolarHBondContact O-N 3.14Å; D63-I67 VanDerWaalsContact O-N 3.1Å; I64-I67 HydrophobicContact CD1-CD1 4.11Å; I64-I67 HydrophobicContact CD1-CG1 4.33Å; I64-I67 VanDerWaalsContact O-CG1 3.31Å; I64-I67 WeakPolarHBondContact O-CG1 3.05Å; N65-I67 PolarHBondContact O-N 3.19Å; I67-V71 PolarHBondContact O-N 3.24Å; I67-A157 HydrophobicContact CD1-CB 4.2Å; I67-A157 HydrophobicContact CG1-CB 4.35Å; I67-I159 HydrophobicContact CD1-CG1 4.07Å; I67-A175 HydrophobicContact CB-CB 4.44Å; I67-A175 HydrophobicContact CD1-CB 4.47Å; I67-A175 HydrophobicContact CG1-CB 4.3Å
68	C	98.9	Very high	97.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-67.9	-47.4	173.3	-70.7	0	0	0	0	111.8	I64 N65 T70 V71 V72 T103 L107 V155 A157	I64-C68 WeakPolarHBondContact O-CB 3.08Å; I64-C68 PolarHBondContact O-N 3.08Å; I64-C68 VanDerWaalsContact O-N 3.15Å; I64-C68 PolarHBondContact O-SG 2.9Å; N65-C68 PolarHBondContact O-N 3.08Å; C68-T70 PolarHBondContact O-N 2.77Å; C68-V71 WeakPolarHBondContact O-CG1 3.07Å; C68-V71 PolarHBondContact O-N 3.18Å; C68-V72 WeakPolarHBondContact O-CB 3.04Å; C68-V72 WeakPolarHBondContact O-CG2 3.31Å; C68-V72 PolarHBondContact O-N 3.27Å; C68-T103 HydrophobicContact CB-CG2 3.99Å; C68-L107 HydrophobicContact CB-CD1 4.36Å; C68-L107 HydrophobicContact CB-CD2 3.88Å; C68-L107 HydrophobicContact CB-CG 4.37Å; C68-V155 HydrophobicContact CB-CG1 4.23Å; C68-A157 WeakPolarHBondContact SG-CB 3.48Å
69	L	98.8	Very high	97.1	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-56.8	-42.4	175.2	-77	166.1	0	0	0	110.7	N65 S66 S73 V106 L107 L110 Y496 Y509	N65-L69 WeakPolarHBondContact O-CB 3.34Å; N65-L69 VanDerWaalsContact O-CG 3.32Å; N65-L69 WeakPolarHBondContact O-CG 3.26Å; N65-L69 PolarHBondContact O-N 2.88Å; S66-L69 PolarHBondContact O-N 2.93Å; L69-S73 WeakPolarHBondContact O-CB 3.47Å; L69-S73 PolarHBondContact O-N 2.88Å; L69-V106 HydrophobicContact CD1-CG1 4.24Å; L69-L107 HydrophobicContact CD2-CD2 4.01Å; L69-L107 HydrophobicContact CG-CD2 4.18Å; L69-L110 HydrophobicContact CD2-CD1 4.12Å; L69-L110 HydrophobicContact CD2-CD2 4.19Å; L69-L110 HydrophobicContact CD2-CG 3.93Å; L69-Y496 HydrophobicContact CB-CD1 3.94Å; L69-Y496 HydrophobicContact CB-CD2 3.81Å; L69-Y496 HydrophobicContact CB-CE1 4.38Å; L69-Y496 HydrophobicContact CB-CE2 4.28Å; L69-Y496 HydrophobicContact CB-CG 3.62Å; L69-Y496 HydrophobicContact CD1-CD1 3.89Å; L69-Y496 HydrophobicContact CD1-CE1 4.43Å; L69-Y496 HydrophobicContact CD1-CG 4.29Å; L69-Y496 HydrophobicContact CG-CD1 4.41Å; L69-Y509 HydrophobicContact CD1-CD1 4.41Å; L69-Y509 HydrophobicContact CD1-CD2 4.06Å; L69-Y509 HydrophobicContact CD1-CG 3.97Å
70	T	98.7	Very high	97	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.2	-52.5	179.5	-56.3	0	0	0	0	112.2	Y25 S66 C68 V72 S73 N74 Y496	Y25-T70 HydrophobicContact CD2-CG2 3.39Å; Y25-T70 HydrophobicContact CE2-CG2 3.48Å; Y25-T70 VanDerWaalsContact CE2-CG2 3.48Å; Y25-T70 HydrophobicContact CG-CG2 4.08Å; S66-T70 WeakPolarHBondContact O-CB 3.41Å; S66-T70 PolarHBondContact O-N 3.25Å; S66-T70 PolarHBondContact O-OG1 3.31Å; C68-T70 PolarHBondContact O-N 2.77Å; T70-V72 VanDerWaalsContact C-N 3.33Å; T70-V72 PolarHBondContact O-N 3.34Å; T70-S73 PolarHBondContact O-N 3.17Å; T70-N74 WeakPolarHBondContact O-CB 3.21Å; T70-N74 VanDerWaalsContact O-CG 3.26Å; T70-N74 PolarHBondContact O-N 3Å; T70-N74 PolarHBondContact O-ND2 3.34Å; T70-Y496 PolarHBondContact OG1-N 2.87Å
71	V	98.6	Very high	97	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.1	-37.7	-177.3	73.5	0	0	0	0	111.9	E23 I67 C68 L75 V155 A175 A177	E23-V71 HydrophobicContact CB-CG2 3.94Å; E23-V71 HydrophobicContact CG-CG2 3.88Å; E23-V71 WeakPolarHBondContact CG-O 3.17Å; E23-V71 VanDerWaalsContact O-CG2 3.26Å; E23-V71 WeakPolarHBondContact O-CG2 3.21Å; I67-V71 PolarHBondContact O-N 3.24Å; C68-V71 WeakPolarHBondContact O-CG1 3.07Å; C68-V71 PolarHBondContact O-N 3.18Å; V71-L75 PolarHBondContact O-N 3.33Å; V71-V155 HydrophobicContact CG1-CG1 4.04Å; V71-A175 HydrophobicContact CB-CB 4.04Å; V71-A175 HydrophobicContact CG1-CB 3.69Å; V71-A177 HydrophobicContact CG1-CB 4.11Å; V71-A177 HydrophobicContact CG2-CB 3.95Å
72	V	98.6	Very high	97	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-70.4	-44.3	177.3	176.1	0	0	0	0	110.9	C68 T70 N74 L75 I76 L107 L110 L153 V155 A177	C68-V72 WeakPolarHBondContact O-CB 3.04Å; C68-V72 WeakPolarHBondContact O-CG2 3.31Å; C68-V72 PolarHBondContact O-N 3.27Å; T70-V72 VanDerWaalsContact C-N 3.33Å; T70-V72 PolarHBondContact O-N 3.34Å; V72-N74 VanDerWaalsContact C-N 3.3Å; V72-N74 PolarHBondContact O-N 2.94Å; V72-L75 PolarHBondContact O-N 2.85Å; V72-I76 HydrophobicContact CG1-CD1 3.74Å; V72-I76 HydrophobicContact CG1-CG1 4.34Å; V72-I76 WeakPolarHBondContact O-CD1 3.48Å; V72-I76 WeakPolarHBondContact O-CG1 3.47Å; V72-I76 PolarHBondContact O-N 2.85Å; V72-L107 HydrophobicContact CB-CD2 4.38Å; V72-L107 HydrophobicContact CG2-CD1 4.24Å; V72-L107 HydrophobicContact CG2-CD2 4.12Å; V72-L110 HydrophobicContact CB-CD1 3.89Å; V72-L110 HydrophobicContact CG1-CD1 3.55Å; V72-L153 HydrophobicContact CG1-CD2 3.97Å; V72-L153 HydrophobicContact CG2-CD2 4.39Å; V72-V155 HydrophobicContact CG2-CG2 3.5Å; V72-V155 VanDerWaalsContact CG2-CG2 3.5Å; V72-A177 HydrophobicContact CG2-CB 4.44Å
73	S	97.7	Very high	97	Very high	13 Å²	13	26.8 Å²	26.8	9%	0.091	13%	0.13	C	C	.	.	H	α-helix	trans	-60	-41.1	175.8	-174.2	0	0	0	0	112	L69 T70 I76 R77 K511	L69-S73 WeakPolarHBondContact O-CB 3.47Å; L69-S73 PolarHBondContact O-N 2.88Å; T70-S73 PolarHBondContact O-N 3.17Å; S73-I76 PolarHBondContact O-N 3.23Å; S73-R77 WeakPolarHBondContact O-CB 3.36Å; S73-R77 PolarHBondContact O-N 3.42Å; S73-K511 PolarHBondContact OG-NZ 3.23Å
74	N	96.1	Very high	97	Very high	11 Å²	11	32.4 Å²	32.4	6%	0.059	16%	0.155	C	C	.	.	H	α-helix	trans	-63.8	-44.3	175.7	-75.7	-17.1	0	0	0	112	E23 T70 V72 R77 R78	E23-N74 HydrophobicContact CG-CB 3.77Å; T70-N74 WeakPolarHBondContact O-CB 3.21Å; T70-N74 VanDerWaalsContact O-CG 3.26Å; T70-N74 PolarHBondContact O-N 3Å; T70-N74 PolarHBondContact O-ND2 3.34Å; V72-N74 VanDerWaalsContact C-N 3.3Å; V72-N74 PolarHBondContact O-N 2.94Å; N74-R77 PolarHBondContact O-N 3.36Å; N74-R77 PolarHBondContact OD1-NH2 2.73Å; N74-R78 WeakPolarHBondContact O-CB 3.21Å; N74-R78 PolarHBondContact O-N 2.84Å
75	L	96.2	Very high	97	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.4	-49.7	176.1	-179.4	64.4	0	0	0	110.6	A21 E23 V71 V72 R77 R78 I79 L153 A177 L179	A21-L75 HydrophobicContact CB-CD1 3.88Å; E23-L75 HydrophobicContact CB-CB 3.72Å; E23-L75 HydrophobicContact CB-CD1 3.99Å; E23-L75 HydrophobicContact CB-CG 4.36Å; E23-L75 HydrophobicContact CG-CB 4.17Å; V71-L75 PolarHBondContact O-N 3.33Å; V72-L75 PolarHBondContact O-N 2.85Å; L75-R77 VanDerWaalsContact C-N 3.34Å; L75-R77 PolarHBondContact O-N 2.68Å; L75-R78 PolarHBondContact O-N 3.06Å; L75-I79 HydrophobicContact CD1-CD1 4.03Å; L75-I79 HydrophobicContact CD1-CG2 4.49Å; L75-I79 HydrophobicContact CG-CD1 4.35Å; L75-I79 WeakPolarHBondContact O-CG1 3.35Å; L75-I79 PolarHBondContact O-N 2.87Å; L75-I79 VanDerWaalsContact O-N 3.15Å; L75-L153 HydrophobicContact CD2-CD1 3.67Å; L75-A177 HydrophobicContact CB-CB 4.45Å; L75-A177 HydrophobicContact CD2-CB 3.88Å; L75-L179 HydrophobicContact CD2-CB 4.38Å
76	I	96.1	Very high	97	Very high	33 Å²	33	34.2 Å²	34.2	17%	0.169	17%	0.166	C	C	.	.	H	α-helix	trans	-55	-51.1	-179.6	-66.8	157.6	0	0	0	110.5	V72 S73 N80 L81 L83 L110	V72-I76 HydrophobicContact CG1-CD1 3.74Å; V72-I76 HydrophobicContact CG1-CG1 4.34Å; V72-I76 WeakPolarHBondContact O-CD1 3.48Å; V72-I76 WeakPolarHBondContact O-CG1 3.47Å; V72-I76 PolarHBondContact O-N 2.85Å; S73-I76 PolarHBondContact O-N 3.23Å; I76-N80 CarbonylContact O-C 3.48Å; I76-N80 VanDerWaalsContact O-CA 3.23Å; I76-N80 WeakPolarHBondContact O-CA 3.21Å; I76-N80 PolarHBondContact O-N 3.37Å; I76-L81 HydrophobicContact CB-CB 4.47Å; I76-L81 HydrophobicContact CG1-CB 4.47Å; I76-L81 HydrophobicContact CG1-CD2 4.31Å; I76-L81 HydrophobicContact CG2-CB 4.47Å; I76-L81 PolarHBondContact O-N 3.42Å; I76-L83 HydrophobicContact CD1-CD1 3.97Å; I76-L83 HydrophobicContact CD1-CD2 3.69Å; I76-L83 HydrophobicContact CD1-CG 4.18Å; I76-L83 HydrophobicContact CG1-CD2 3.75Å; I76-L83 HydrophobicContact CG1-CG 4.36Å; I76-L110 HydrophobicContact CD1-CB 4.42Å; I76-L110 HydrophobicContact CD1-CD1 4.16Å
77	R	93.7	Very high	97	Very high	123 Å²	123	34.2 Å²	34.2	46%	0.464	17%	0.166	S	C	.	.	H	α-helix	trans	-64.4	-44.5	179.7	-179.8	174.2	52.2	68.5	10.5	111.8	S73 N74 L75 I79 N80 E514	S73-R77 WeakPolarHBondContact O-CB 3.36Å; S73-R77 PolarHBondContact O-N 3.42Å; N74-R77 PolarHBondContact O-N 3.36Å; N74-R77 PolarHBondContact OD1-NH2 2.73Å; L75-R77 VanDerWaalsContact C-N 3.34Å; L75-R77 PolarHBondContact O-N 2.68Å; R77-I79 PolarHBondContact O-N 2.92Å; R77-N80 PolarHBondContact O-N 3.39Å; R77-E514 VanDerWaalsContact CD-OE1 3.31Å; R77-E514 WeakPolarHBondContact CD-OE1 3.49Å; R77-E514 IonicContact CZ-OE1 3.5Å; R77-E514 IonicContact NE-OE1 3.33Å; R77-E514 PolarHBondContact NE-OE1 3.37Å; R77-E514 IonicContact NE-OE2 3.46Å
78	R	92.4	Very high	97	Very high	48 Å²	48	34.8 Å²	34.8	18%	0.181	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-43.8	-174	-178.6	178.3	66	87.4	-2.2	112.4	L22 E23 N74 L75 T435 V436 L437 N438	L22-R78 PolarHBondContact O-NH2 3.03Å; E23-R78 WeakPolarHBondContact OE2-CD 3.41Å; E23-R78 IonicContact OE2-CZ 2.76Å; E23-R78 IonicContact OE2-NE 3.39Å; E23-R78 PolarHBondContact OE2-NE 3.42Å; N74-R78 WeakPolarHBondContact O-CB 3.21Å; N74-R78 PolarHBondContact O-N 2.84Å; L75-R78 PolarHBondContact O-N 3.06Å; R78-T435 PolarHBondContact NH1-O 3.12Å; R78-V436 PolarHBondContact NH2-O 3.17Å; R78-L437 VanDerWaalsContact NH1-C 3.26Å; R78-N438 HydrophobicContact CG-CB 4.22Å
79	I	93.4	Very high	97	Very high	54 Å²	54	34.8 Å²	34.8	28%	0.277	17%	0.169	S	C	.	.	H	α-helix	trans	-104.8	6.4	-176	74.8	-179.4	0	0	0	113	A21 L75 R77 L81 L179	A21-I79 HydrophobicContact CB-CD1 3.93Å; A21-I79 HydrophobicContact CB-CG2 4.46Å; L75-I79 HydrophobicContact CD1-CD1 4.03Å; L75-I79 HydrophobicContact CD1-CG2 4.49Å; L75-I79 HydrophobicContact CG-CD1 4.35Å; L75-I79 WeakPolarHBondContact O-CG1 3.35Å; L75-I79 PolarHBondContact O-N 2.87Å; L75-I79 VanDerWaalsContact O-N 3.15Å; R77-I79 PolarHBondContact O-N 2.92Å; I79-L81 VanDerWaalsContact C-N 3.29Å; I79-L81 HydrophobicContact CD1-CB 4.13Å; I79-L81 HydrophobicContact CD1-CD1 4.25Å; I79-L81 HydrophobicContact CG1-CB 3.81Å; I79-L81 PolarHBondContact O-N 3.15Å; I79-L179 HydrophobicContact CD1-CD2 3.63Å
80	N	94.5	Very high	97	Very high	148 Å²	148	36 Å²	36	79%	0.791	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	50.1	-172.5	-168.5	41.8	0	0	0	111.9	I76 R77 D82	I76-N80 CarbonylContact O-C 3.48Å; I76-N80 VanDerWaalsContact O-CA 3.23Å; I76-N80 WeakPolarHBondContact O-CA 3.21Å; I76-N80 PolarHBondContact O-N 3.37Å; R77-N80 PolarHBondContact O-N 3.39Å; N80-D82 PolarHBondContact O-N 3.02Å
81	L	95.6	Very high	97	Very high	15 Å²	15	36 Å²	36	8%	0.079	17%	0.174	C	C	.	.			trans	-68.3	118.6	-174.4	-177.1	58.8	0	0	0	110.8	I76 I79 L83 I86 M151 L179	I76-L81 HydrophobicContact CB-CB 4.47Å; I76-L81 HydrophobicContact CG1-CB 4.47Å; I76-L81 HydrophobicContact CG1-CD2 4.31Å; I76-L81 HydrophobicContact CG2-CB 4.47Å; I76-L81 PolarHBondContact O-N 3.42Å; I79-L81 VanDerWaalsContact C-N 3.29Å; I79-L81 HydrophobicContact CD1-CB 4.13Å; I79-L81 HydrophobicContact CD1-CD1 4.25Å; I79-L81 HydrophobicContact CG1-CB 3.81Å; I79-L81 PolarHBondContact O-N 3.15Å; L81-L83 HydrophobicContact CD2-CD2 4.45Å; L81-L83 PolarHBondContact O-N 2.93Å; L81-L83 VanDerWaalsContact O-N 3.15Å; L81-I86 HydrophobicContact CD1-CD1 4.14Å; L81-I86 HydrophobicContact CD2-CD1 4.09Å; L81-I86 HydrophobicContact CD2-CG1 4.28Å; L81-I86 HydrophobicContact CG-CD1 4.44Å; L81-M151 HydrophobicContact CD1-CE 3.59Å; L81-L179 HydrophobicContact CD1-CD1 4.5Å; L81-L179 HydrophobicContact CD1-CD2 4.09Å; L81-L179 HydrophobicContact CD2-CD1 4.45Å
82	D	97.6	Very high	97	Very high	85 Å²	85	36 Å²	36	46%	0.455	17%	0.174	S	C	.	.			trans	-71.3	108.2	167.4	177.6	9.2	0	0	0	109.7	N80 K84 T85	N80-D82 PolarHBondContact O-N 3.02Å; D82-K84 PolarHBondContact O-N 3.23Å; D82-K84 VanDerWaalsContact O-N 3.11Å; D82-K84 WeakPolarHBondContact OD1-CB 3.28Å; D82-K84 PolarHBondContact OD1-N 3.4Å; D82-T85 HydrophobicContact CB-CG2 3.92Å; D82-T85 WeakPolarHBondContact O-CB 3.31Å; D82-T85 PolarHBondContact O-N 3.01Å; D82-T85 PolarHBondContact O-OG1 3.39Å
83	L	98.1	Very high	97	Very high	12 Å²	12	36 Å²	36	6%	0.063	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-60.8	-19.6	180	-72.4	-177.3	0	0	0	113.8	I76 L81 T85 I86 L110 F111 A114 N116	I76-L83 HydrophobicContact CD1-CD1 3.97Å; I76-L83 HydrophobicContact CD1-CD2 3.69Å; I76-L83 HydrophobicContact CD1-CG 4.18Å; I76-L83 HydrophobicContact CG1-CD2 3.75Å; I76-L83 HydrophobicContact CG1-CG 4.36Å; L81-L83 HydrophobicContact CD2-CD2 4.45Å; L81-L83 PolarHBondContact O-N 2.93Å; L81-L83 VanDerWaalsContact O-N 3.15Å; L83-T85 PolarHBondContact O-N 2.82Å; L83-I86 PolarHBondContact O-N 2.86Å; L83-L110 HydrophobicContact CD1-CB 4.41Å; L83-L110 VanDerWaalsContact CD1-O 3.23Å; L83-L110 WeakPolarHBondContact CD1-O 2.99Å; L83-F111 HydrophobicContact CB-CD1 4.1Å; L83-F111 HydrophobicContact CB-CE1 4.32Å; L83-F111 HydrophobicContact CD1-CD1 4.45Å; L83-F111 HydrophobicContact CD1-CG 4.35Å; L83-F111 HydrophobicContact CD2-CD1 4.19Å; L83-F111 HydrophobicContact CD2-CE1 3.76Å; L83-F111 HydrophobicContact CD2-CE2 4.33Å; L83-F111 HydrophobicContact CD2-CZ 3.83Å; L83-A114 HydrophobicContact CB-CB 3.83Å; L83-A114 HydrophobicContact CD1-CB 4.39Å; L83-N116 PolarHBondContact O-ND2 3.17Å
84	K	98	Very high	97.1	Very high	125 Å²	125	35.6 Å²	35.6	54%	0.543	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-68.6	-20.5	173	-64.4	-178.4	177.2	-179.7	0	112.9	D82 I86 A114 R150	D82-K84 PolarHBondContact O-N 3.23Å; D82-K84 VanDerWaalsContact O-N 3.11Å; D82-K84 WeakPolarHBondContact OD1-CB 3.28Å; D82-K84 PolarHBondContact OD1-N 3.4Å; K84-I86 VanDerWaalsContact C-N 3.27Å; K84-I86 PolarHBondContact O-N 3.47Å; K84-A114 WeakPolarHBondContact CE-O 3.37Å; K84-R150 VanDerWaalsContact O-CD 3.31Å; K84-R150 WeakPolarHBondContact O-CD 3.31Å
85	T	98	Very high	97.2	Very high	49 Å²	49	35.5 Å²	35.5	30%	0.301	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-82.2	-1.9	177.7	69.4	0	0	0	0	113.7	D82 L83 R150 M151	D82-T85 HydrophobicContact CB-CG2 3.92Å; D82-T85 WeakPolarHBondContact O-CB 3.31Å; D82-T85 PolarHBondContact O-N 3.01Å; D82-T85 PolarHBondContact O-OG1 3.39Å; L83-T85 PolarHBondContact O-N 2.82Å; T85-R150 CarbonylContact O-C 3.55Å; T85-R150 WeakPolarHBondContact O-CA 3.44Å; T85-R150 WeakPolarHBondContact O-CB 3.27Å; T85-M151 PolarHBondContact O-N 3.49Å; T85-M151 WeakPolarHBondContact OG1-CE 3.36Å
86	I	98.6	Very high	97.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.5	176.6	-55.6	-53.6	0	0	0	109.4	L81 L83 K84 F88 F111 N116 V119 R150 M151 L153 L179	L81-I86 HydrophobicContact CD1-CD1 4.14Å; L81-I86 HydrophobicContact CD2-CD1 4.09Å; L81-I86 HydrophobicContact CD2-CG1 4.28Å; L81-I86 HydrophobicContact CG-CD1 4.44Å; L83-I86 PolarHBondContact O-N 2.86Å; K84-I86 VanDerWaalsContact C-N 3.27Å; K84-I86 PolarHBondContact O-N 3.47Å; I86-F88 WeakPolarHBondContact CG2-O 3.22Å; I86-F111 HydrophobicContact CB-CE1 3.84Å; I86-F111 HydrophobicContact CB-CZ 4.47Å; I86-F111 HydrophobicContact CG1-CE1 4.25Å; I86-F111 HydrophobicContact CG2-CE1 3.86Å; I86-F111 HydrophobicContact CG2-CZ 4.15Å; I86-N116 PolarHBondContact O-ND2 3.08Å; I86-V119 HydrophobicContact CG2-CG1 4.26Å; I86-R150 PolarHBondContact O-NH1 2.9Å; I86-M151 WeakPolarHBondContact CA-O 3.47Å; I86-M151 HydrophobicContact CD1-CB 3.87Å; I86-M151 HydrophobicContact CD1-CE 4.13Å; I86-L153 HydrophobicContact CG2-CB 4.13Å; I86-L179 HydrophobicContact CD1-CD1 3.56Å
87	G	98.5	Very high	97.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	-10.9	178.4	0	0	0	0	0	115.1	E120 R150 M151	G87-E120 PolarHBondContact O-N 2.82Å; G87-R150 VanDerWaalsContact CA-NE 3.28Å; G87-R150 VanDerWaalsContact CA-NH2 3.29Å; G87-M151 PolarHBondContact N-O 2.81Å
88	F	98.8	Very high	97.3	Very high	13 Å²	13	36.7 Å²	36.7	6%	0.057	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	133.2	178.7	-173.4	-83.3	0	0	0	109.4	I86 E90 E120 A138 W141 A152 L153	I86-F88 WeakPolarHBondContact CG2-O 3.22Å; F88-E90 HydrophobicContact CD1-CB 4.34Å; F88-E90 HydrophobicContact CE1-CB 3.45Å; F88-E90 VanDerWaalsContact CE1-CB 3.45Å; F88-E90 HydrophobicContact CE1-CG 4.48Å; F88-E90 HydrophobicContact CZ-CB 3.93Å; F88-E120 HydrophobicContact CD2-CB 3.69Å; F88-E120 HydrophobicContact CE2-CB 4.3Å; F88-A138 HydrophobicContact CD1-CB 3.81Å; F88-A138 HydrophobicContact CE1-CB 3.68Å; F88-W141 HydrophobicContact CB-CD2 3.69Å; F88-W141 HydrophobicContact CB-CE3 3.62Å; F88-W141 HydrophobicContact CB-CG 4.28Å; F88-W141 HydrophobicContact CB-CH2 4.18Å; F88-W141 HydrophobicContact CB-CZ2 4.22Å; F88-W141 HydrophobicContact CB-CZ3 3.87Å; F88-W141 HydrophobicContact CD2-CB 3.8Å; F88-W141 AromaticContact CD2-CD1 3.71Å; F88-W141 AromaticContact CD2-CD2 3.86Å; F88-W141 HydrophobicContact CD2-CD2 3.86Å; F88-W141 HydrophobicContact CD2-CE3 4.47Å; F88-W141 AromaticContact CD2-CG 3.51Å; F88-W141 HydrophobicContact CD2-CG 3.51Å; F88-W141 HydrophobicContact CE2-CB 3.99Å; F88-W141 HydrophobicContact CE2-CG 4.13Å; F88-W141 HydrophobicContact CG-CB 4.39Å; F88-W141 HydrophobicContact CG-CD2 4.05Å; F88-W141 HydrophobicContact CG-CE3 4.21Å; F88-W141 HydrophobicContact CG-CG 4.11Å; F88-A152 HydrophobicContact CB-CB 3.84Å; F88-A152 HydrophobicContact CD1-CB 4.06Å; F88-A152 HydrophobicContact CG-CB 4.3Å; F88-A152 CarbonylContact O-C 3.58Å; F88-A152 WeakPolarHBondContact O-CA 3.38Å; F88-L153 PolarHBondContact O-N 2.99Å
89	L	98.9	Very high	97.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	118.2	174.1	171.7	59.8	0	0	0	109.6	K104 L107 F111 V119 E120 G121 L153 V155	L89-K104 HydrophobicContact CD2-CG 4.32Å; L89-K104 HydrophobicContact CG-CG 4.13Å; L89-K104 WeakPolarHBondContact O-CG 3.4Å; L89-L107 HydrophobicContact CD1-CD1 4.25Å; L89-L107 HydrophobicContact CD2-CB 3.9Å; L89-L107 HydrophobicContact CD2-CD1 4.11Å; L89-F111 HydrophobicContact CD2-CD2 4.49Å; L89-F111 HydrophobicContact CD2-CE2 3.67Å; L89-F111 HydrophobicContact CD2-CZ 4.02Å; L89-V119 HydrophobicContact CB-CG1 3.66Å; L89-E120 PolarHBondContact N-O 3.34Å; L89-E120 VanDerWaalsContact O-O 3.04Å; L89-G121 CarbonylContact O-C 3.45Å; L89-G121 VanDerWaalsContact O-C 3.26Å; L89-G121 VanDerWaalsContact O-CA 3.28Å; L89-G121 WeakPolarHBondContact O-CA 3.26Å; L89-L153 VanDerWaalsContact CA-O 3.26Å; L89-L153 WeakPolarHBondContact CA-O 3.43Å; L89-L153 HydrophobicContact CD1-CB 3.97Å; L89-L153 HydrophobicContact CD1-CD2 3.89Å; L89-L153 HydrophobicContact CD1-CG 3.77Å; L89-V155 HydrophobicContact CD1-CG2 4.09Å
90	E	98.9	Very high	97.7	Very high	26 Å²	26	45.7 Å²	45.7	12%	0.121	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.5	177.2	-171.6	156.6	-109.2	0	0	112.1	F88 T122 T124 A134 L153 V154 V155	F88-E90 HydrophobicContact CD1-CB 4.34Å; F88-E90 HydrophobicContact CE1-CB 3.45Å; F88-E90 VanDerWaalsContact CE1-CB 3.45Å; F88-E90 HydrophobicContact CE1-CG 4.48Å; F88-E90 HydrophobicContact CZ-CB 3.93Å; E90-T122 WeakPolarHBondContact CA-O 3.46Å; E90-T122 WeakPolarHBondContact CG-O 3.46Å; E90-T124 HydrophobicContact CG-CG2 4.17Å; E90-A134 HydrophobicContact CB-CB 4.18Å; E90-A134 HydrophobicContact CG-CB 3.81Å; E90-A134 WeakPolarHBondContact OE2-CA 3.5Å; E90-L153 PolarHBondContact N-O 3.11Å; E90-L153 VanDerWaalsContact N-O 3.1Å; E90-V154 WeakPolarHBondContact O-CA 3.44Å; E90-V155 PolarHBondContact O-N 3.39Å
91	V	99	Very high	97.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.2	179.5	-174.5	0	0	0	0	109.9	T93 T103 K104 L107 T122 D123 T124 V155	V91-T93 HydrophobicContact CG1-CG2 4.24Å; V91-T103 HydrophobicContact CG1-CG2 4.06Å; V91-T103 HydrophobicContact CG2-CG2 4.27Å; V91-K104 HydrophobicContact CG2-CB 4.13Å; V91-L107 HydrophobicContact CG2-CD1 3.72Å; V91-T122 PolarHBondContact N-O 2.76Å; V91-D123 WeakPolarHBondContact CB-OD1 3.24Å; V91-D123 CarbonylContact O-C 3.49Å; V91-D123 WeakPolarHBondContact O-CA 3.24Å; V91-T124 PolarHBondContact O-N 2.98Å; V91-V155 CarbonylContact C-O 3.58Å; V91-V155 VanDerWaalsContact CA-O 3.27Å; V91-V155 WeakPolarHBondContact CA-O 3.44Å; V91-V155 HydrophobicContact CG1-CB 4.43Å; V91-V155 HydrophobicContact CG2-CB 4.26Å
92	G	98.9	Very high	98	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	116	166.3	0	0	0	0	0	110.2	T124 G130 V155 A156 A157 T385	G92-T124 WeakPolarHBondContact CA-O 3.36Å; G92-G130 VanDerWaalsContact CA-C 3.45Å; G92-V155 PolarHBondContact N-O 2.91Å; G92-A156 WeakPolarHBondContact O-CA 3.4Å; G92-A157 PolarHBondContact O-N 3.3Å; G92-A157 VanDerWaalsContact O-N 3.17Å; G92-T385 PolarHBondContact O-OG1 3.48Å; G92-T385 VanDerWaalsContact O-OG1 3.07Å
93	T	98.9	Very high	98.1	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	21%	0.208	C	C	.	.			trans	-152.1	151.6	177.2	-172.8	0	0	0	0	111.9	I64 V91 T95 I96 T124 A157 D158	I64-T93 WeakPolarHBondContact CD1-OG1 3.5Å; I64-T93 HydrophobicContact CG1-CG2 4.39Å; V91-T93 HydrophobicContact CG1-CG2 4.24Å; T93-T95 PolarHBondContact OG1-N 2.98Å; T93-T95 VanDerWaalsContact OG1-N 3.08Å; T93-I96 HydrophobicContact CG2-CD1 4.4Å; T93-T124 PolarHBondContact N-O 2.84Å; T93-A157 VanDerWaalsContact CB-O 3.23Å; T93-A157 WeakPolarHBondContact CB-O 3.48Å; T93-A157 PolarHBondContact OG1-O 2.89Å; T93-D158 PolarHBondContact OG1-OD1 3.14Å; T93-D158 VanDerWaalsContact OG1-OD1 3.04Å
94	E	98.4	Very high	98.1	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.019	21%	0.208	C	C	.	.	S	Bend	trans	-111.3	1.1	165.6	63.2	161	91.9	0	0	113.3	I96 A127 C128 D158 K205 Y384	E94-I96 PolarHBondContact O-N 3.1Å; E94-A127 WeakPolarHBondContact OE1-CA 3.42Å; E94-C128 PolarHBondContact OE1-N 2.79Å; E94-C128 PolarHBondContact OE1-SG 3.46Å; E94-C128 VanDerWaalsContact OE1-SG 3.33Å; E94-D158 VanDerWaalsContact CG-OD1 3.24Å; E94-D158 WeakPolarHBondContact CG-OD1 3.38Å; E94-D158 PolarHBondContact N-OD1 2.77Å; E94-K205 WeakPolarHBondContact OE2-CE 3.42Å; E94-K205 IonicContact OE2-NZ 2.72Å; E94-K205 PolarHBondContact OE2-NZ 2.89Å; E94-Y384 HydrophobicContact CG-CD2 3.48Å; E94-Y384 VanDerWaalsContact CG-CD2 3.48Å; E94-Y384 HydrophobicContact CG-CE2 4.11Å; E94-Y384 HydrophobicContact CG-CG 4.07Å; E94-Y384 WeakPolarHBondContact OE2-CE2 3.19Å
95	T	98	Very high	98.1	Very high	10 Å²	10	37.4 Å²	37.4	6%	0.061	20%	0.198	C	C	.	.			trans	-89.5	91	178.5	-55.4	0	0	0	0	110.1	I64 T93 D158 I159	I64-T95 HydrophobicContact CB-CG2 3.94Å; I64-T95 HydrophobicContact CG2-CG2 4.5Å; T93-T95 PolarHBondContact OG1-N 2.98Å; T93-T95 VanDerWaalsContact OG1-N 3.08Å; T95-D158 WeakPolarHBondContact CB-OD1 3.22Å; T95-D158 PolarHBondContact N-OD1 3.31Å; T95-D158 WeakPolarHBondContact OG1-CA 3.37Å; T95-D158 PolarHBondContact OG1-OD1 2.84Å; T95-I159 HydrophobicContact CG2-CB 4.19Å; T95-I159 PolarHBondContact OG1-N 3.19Å
96	I	96.4	Very high	98.2	Very high	67 Å²	67	35.6 Å²	35.6	34%	0.344	19%	0.187	S	C	.	.			trans	-97.5	124.6	-172	-56.6	-52.3	0	0	0	111.2	T93 E94 D98 K125	T93-I96 HydrophobicContact CG2-CD1 4.4Å; E94-I96 PolarHBondContact O-N 3.1Å; I96-D98 WeakPolarHBondContact CG2-O 3.24Å; I96-K125 HydrophobicContact CD1-CD 4.03Å; I96-K125 HydrophobicContact CG1-CD 4.02Å; I96-K125 VanDerWaalsContact CG1-NZ 3.27Å
97	I	95.7	Very high	98.2	Very high	32 Å²	32	35.6 Å²	35.6	16%	0.164	19%	0.187	C	C	.	.	S	Bend	trans	-119.8	-7.7	175.7	58.4	169.5	0	0	0	113.4	I64 N65	I64-I97 HydrophobicContact CG2-CD1 3.53Å; I64-I97 HydrophobicContact CG2-CG1 3.68Å; I64-I97 HydrophobicContact CG2-CG2 4.22Å; N65-I97 WeakPolarHBondContact ND2-CD1 3.44Å
98	D	96.9	Very high	98.2	Very high	81 Å²	81	36.7 Å²	36.7	43%	0.433	19%	0.192	S	C	.	.			trans	-144	137.9	170.2	-168.9	-56.4	0	0	0	108.1	I96 S100 K101	I96-D98 WeakPolarHBondContact CG2-O 3.24Å; D98-S100 VanDerWaalsContact C-N 3.33Å; D98-S100 PolarHBondContact OD1-N 2.79Å; D98-K101 HydrophobicContact CB-CB 4.14Å; D98-K101 PolarHBondContact OD1-N 2.6Å
99	K	96.2	Very high	98.1	Very high	176 Å²	176	40.2 Å²	40.2	77%	0.765	21%	0.209	S	C	*	.	S	Bend	trans	-84.1	-9.3	-175	-66.8	-179.5	-66.8	-175.6	0	113.4	L208	K99-L208 HydrophobicContact CD-CD1 4.18Å
100	S	97.6	Very high	98.1	Very high	116 Å²	116	41 Å²	41	81%	0.811	21%	0.213	S	C	*	.	S	Bend	trans	-131	-47.3	-176.9	179.9	0	0	0	0	112	D98 S102	D98-S100 VanDerWaalsContact C-N 3.33Å; D98-S100 PolarHBondContact OD1-N 2.79Å; S100-S102 PolarHBondContact O-N 2.92Å
101	K	98.5	Very high	98.1	Very high	114 Å²	114	39.8 Å²	39.8	50%	0.496	21%	0.207	S	C	.	.	S	Bend	trans	-75.7	120.4	-179.2	-175.4	175.1	170.8	59.5	0	110.4	D98 T105	D98-K101 HydrophobicContact CB-CB 4.14Å; D98-K101 PolarHBondContact OD1-N 2.6Å; K101-T105 WeakPolarHBondContact CG-OG1 3.43Å; K101-T105 PolarHBondContact NZ-OG1 2.79Å
102	S	98.7	Very high	98	Very high	18 Å²	18	44.7 Å²	44.7	13%	0.126	23%	0.23	C	C	.	.			trans	-76.3	148.6	179.6	64.3	0	0	0	0	112.7	S100 K104 T105 D123	S100-S102 PolarHBondContact O-N 2.92Å; S102-K104 PolarHBondContact O-N 2.79Å; S102-T105 PolarHBondContact O-N 3.48Å; S102-T105 VanDerWaalsContact O-N 3.08Å; S102-T105 PolarHBondContact O-OG1 3.2Å; S102-T105 VanDerWaalsContact OG-CG2 3.31Å; S102-T105 WeakPolarHBondContact OG-CG2 3.45Å; S102-T105 PolarHBondContact OG-N 2.93Å; S102-D123 VanDerWaalsContact CB-CG 3.47Å; S102-D123 VanDerWaalsContact CB-OD1 3.32Å; S102-D123 WeakPolarHBondContact CB-OD1 3.4Å
103	T	98.7	Very high	97.6	Very high	8 Å²	8	50.7 Å²	50.7	5%	0.049	27%	0.267	C	S	.	.	H	α-helix	trans	-55.7	-38.1	168.6	-52.1	0	0	0	0	110.6	I64 N65 C68 V91 T105 V106 L107 D123	I64-T103 HydrophobicContact CG1-CG2 4.46Å; N65-T103 WeakPolarHBondContact OD1-CG2 3.35Å; C68-T103 HydrophobicContact CB-CG2 3.99Å; V91-T103 HydrophobicContact CG1-CG2 4.06Å; V91-T103 HydrophobicContact CG2-CG2 4.27Å; T103-T105 PolarHBondContact O-N 2.88Å; T103-V106 WeakPolarHBondContact O-CA 3.26Å; T103-V106 WeakPolarHBondContact O-CB 3.46Å; T103-V106 PolarHBondContact O-N 2.94Å; T103-L107 PolarHBondContact O-N 2.98Å; T103-L107 VanDerWaalsContact O-N 3.08Å; T103-D123 VanDerWaalsContact CB-OD2 3.28Å; T103-D123 WeakPolarHBondContact CB-OD2 3.29Å; T103-D123 VanDerWaalsContact N-CG 3.3Å; T103-D123 PolarHBondContact N-OD1 3.43Å; T103-D123 VanDerWaalsContact N-OD1 3.14Å; T103-D123 PolarHBondContact N-OD2 3.28Å; T103-D123 PolarHBondContact OG1-OD2 2.88Å
104	K	98.8	Very high	97.4	Very high	15 Å²	15	52 Å²	52	7%	0.065	28%	0.278	C	S	.	.	H	α-helix	trans	-49.7	-44.4	172.9	179.4	-89.8	169.2	73.6	0	112.5	L89 V91 S102 V106 L107 M108 V119 E120 G121 T122 D123	L89-K104 HydrophobicContact CD2-CG 4.32Å; L89-K104 HydrophobicContact CG-CG 4.13Å; L89-K104 WeakPolarHBondContact O-CG 3.4Å; V91-K104 HydrophobicContact CG2-CB 4.13Å; S102-K104 PolarHBondContact O-N 2.79Å; K104-V106 PolarHBondContact O-N 2.89Å; K104-L107 WeakPolarHBondContact O-CB 3.36Å; K104-L107 PolarHBondContact O-N 3.15Å; K104-M108 HydrophobicContact CD-CG 4.39Å; K104-M108 PolarHBondContact O-N 2.77Å; K104-V119 PolarHBondContact NZ-O 3.43Å; K104-E120 PolarHBondContact NZ-O 3.1Å; K104-G121 WeakPolarHBondContact CD-O 3.3Å; K104-G121 PolarHBondContact NZ-O 3.44Å; K104-T122 WeakPolarHBondContact CB-O 3.36Å; K104-D123 PolarHBondContact N-OD1 2.63Å
105	T	98.6	Very high	97.3	Very high	55 Å²	55	54.1 Å²	54.1	34%	0.337	30%	0.301	S	S	.	.	H	α-helix	trans	-70.1	-23.1	-178.7	62.1	0	0	0	0	112.9	K101 S102 T103	K101-T105 WeakPolarHBondContact CG-OG1 3.43Å; K101-T105 PolarHBondContact NZ-OG1 2.79Å; S102-T105 PolarHBondContact O-N 3.48Å; S102-T105 VanDerWaalsContact O-N 3.08Å; S102-T105 PolarHBondContact O-OG1 3.2Å; S102-T105 VanDerWaalsContact OG-CG2 3.31Å; S102-T105 WeakPolarHBondContact OG-CG2 3.45Å; S102-T105 PolarHBondContact OG-N 2.93Å; T103-T105 PolarHBondContact O-N 2.88Å
106	V	98.6	Very high	97.4	Very high	11 Å²	11	54.2 Å²	54.2	7%	0.067	30%	0.301	C	S	.	.	H	α-helix	trans	-74.6	-38.6	172.3	-176.8	0	0	0	0	110.2	N65 L69 T103 K104 M108 Q109 Y509	N65-V106 HydrophobicContact CB-CG1 3.97Å; L69-V106 HydrophobicContact CD1-CG1 4.24Å; T103-V106 WeakPolarHBondContact O-CA 3.26Å; T103-V106 WeakPolarHBondContact O-CB 3.46Å; T103-V106 PolarHBondContact O-N 2.94Å; K104-V106 PolarHBondContact O-N 2.89Å; V106-M108 PolarHBondContact O-N 2.66Å; V106-Q109 VanDerWaalsContact CG1-NE2 3.27Å; V106-Q109 WeakPolarHBondContact O-CB 3.38Å; V106-Q109 WeakPolarHBondContact O-CG 3.47Å; V106-Q109 PolarHBondContact O-N 2.92Å; V106-Q109 PolarHBondContact O-NE2 3.32Å; V106-Y509 HydrophobicContact CG1-CD2 4.47Å; V106-Y509 HydrophobicContact CG1-CE2 3.94Å
107	L	98.7	Very high	97.4	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-62.8	-26	175.1	-70	178.2	0	0	0	113.6	C68 L69 V72 L89 V91 T103 K104 Q109 L110 V155	C68-L107 HydrophobicContact CB-CD1 4.36Å; C68-L107 HydrophobicContact CB-CD2 3.88Å; C68-L107 HydrophobicContact CB-CG 4.37Å; L69-L107 HydrophobicContact CD2-CD2 4.01Å; L69-L107 HydrophobicContact CG-CD2 4.18Å; V72-L107 HydrophobicContact CB-CD2 4.38Å; V72-L107 HydrophobicContact CG2-CD1 4.24Å; V72-L107 HydrophobicContact CG2-CD2 4.12Å; L89-L107 HydrophobicContact CD1-CD1 4.25Å; L89-L107 HydrophobicContact CD2-CB 3.9Å; L89-L107 HydrophobicContact CD2-CD1 4.11Å; V91-L107 HydrophobicContact CG2-CD1 3.72Å; T103-L107 PolarHBondContact O-N 2.98Å; T103-L107 VanDerWaalsContact O-N 3.08Å; K104-L107 WeakPolarHBondContact O-CB 3.36Å; K104-L107 PolarHBondContact O-N 3.15Å; L107-Q109 PolarHBondContact O-N 2.82Å; L107-Q109 VanDerWaalsContact O-N 3.09Å; L107-L110 HydrophobicContact CD2-CD1 4.47Å; L107-L110 WeakPolarHBondContact O-CB 3.25Å; L107-L110 PolarHBondContact O-N 2.9Å; L107-V155 HydrophobicContact CD1-CG2 4.03Å
108	M	98.7	Very high	97.5	Very high	22 Å²	22	61.3 Å²	61.3	11%	0.108	33%	0.333	C	S	.	.	H	α-helix	trans	-58.5	-21.6	176.9	-68.8	-53.7	-62.1	0	0	113.5	K104 V106 L110 F111 E112 N116 V119	K104-M108 HydrophobicContact CD-CG 4.39Å; K104-M108 PolarHBondContact O-N 2.77Å; V106-M108 PolarHBondContact O-N 2.66Å; M108-L110 PolarHBondContact O-N 3.26Å; M108-L110 VanDerWaalsContact O-N 3.14Å; M108-F111 HydrophobicContact CE-CB 3.76Å; M108-F111 HydrophobicContact CE-CG 4.15Å; M108-F111 CarbonylContact O-C 3.52Å; M108-F111 WeakPolarHBondContact O-CA 3.46Å; M108-F111 WeakPolarHBondContact O-CB 3.49Å; M108-F111 PolarHBondContact O-N 3.47Å; M108-F111 HydrophobicContact SD-CB 4.39Å; M108-F111 HydrophobicContact SD-CD2 4.21Å; M108-F111 HydrophobicContact SD-CG 4.28Å; M108-E112 WeakPolarHBondContact O-CG 3.43Å; M108-E112 PolarHBondContact O-N 3.17Å; M108-N116 WeakPolarHBondContact CE-O 3.49Å; M108-V119 HydrophobicContact CE-CB 4.23Å; M108-V119 HydrophobicContact CE-CG2 4.16Å; M108-V119 HydrophobicContact SD-CB 4.33Å
109	Q	97.9	Very high	97.6	Very high	87 Å²	87	58 Å²	58	41%	0.407	32%	0.317	S	S	.	.	H	α-helix	trans	-54.2	-32.4	171	-71.7	171.6	89.4	0	0	112.9	V106 L107	V106-Q109 VanDerWaalsContact CG1-NE2 3.27Å; V106-Q109 WeakPolarHBondContact O-CB 3.38Å; V106-Q109 WeakPolarHBondContact O-CG 3.47Å; V106-Q109 PolarHBondContact O-N 2.92Å; V106-Q109 PolarHBondContact O-NE2 3.32Å; L107-Q109 PolarHBondContact O-N 2.82Å; L107-Q109 VanDerWaalsContact O-N 3.09Å
110	L	97.9	Very high	97.7	Very high	17 Å²	17	53.7 Å²	53.7	9%	0.089	30%	0.299	C	S	.	.	H	α-helix	trans	-69.9	-37	175.3	-59.1	177.8	0	0	0	111.3	L69 V72 I76 L83 L107 M108 T113 Y496	L69-L110 HydrophobicContact CD2-CD1 4.12Å; L69-L110 HydrophobicContact CD2-CD2 4.19Å; L69-L110 HydrophobicContact CD2-CG 3.93Å; V72-L110 HydrophobicContact CB-CD1 3.89Å; V72-L110 HydrophobicContact CG1-CD1 3.55Å; I76-L110 HydrophobicContact CD1-CB 4.42Å; I76-L110 HydrophobicContact CD1-CD1 4.16Å; L83-L110 HydrophobicContact CD1-CB 4.41Å; L83-L110 VanDerWaalsContact CD1-O 3.23Å; L83-L110 WeakPolarHBondContact CD1-O 2.99Å; L107-L110 HydrophobicContact CD2-CD1 4.47Å; L107-L110 WeakPolarHBondContact O-CB 3.25Å; L107-L110 PolarHBondContact O-N 2.9Å; M108-L110 PolarHBondContact O-N 3.26Å; M108-L110 VanDerWaalsContact O-N 3.14Å; L110-T113 PolarHBondContact O-OG1 2.92Å; L110-Y496 WeakPolarHBondContact CD2-OH 3.49Å
111	F	98.3	Very high	97.8	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-80.2	-27.8	-177.4	-68.5	-103.8	0	0	0	113.3	L83 I86 L89 M108 T113 A114 G115 N116 V119 L153	L83-F111 HydrophobicContact CB-CD1 4.1Å; L83-F111 HydrophobicContact CB-CE1 4.32Å; L83-F111 HydrophobicContact CD1-CD1 4.45Å; L83-F111 HydrophobicContact CD1-CG 4.35Å; L83-F111 HydrophobicContact CD2-CD1 4.19Å; L83-F111 HydrophobicContact CD2-CE1 3.76Å; L83-F111 HydrophobicContact CD2-CE2 4.33Å; L83-F111 HydrophobicContact CD2-CZ 3.83Å; I86-F111 HydrophobicContact CB-CE1 3.84Å; I86-F111 HydrophobicContact CB-CZ 4.47Å; I86-F111 HydrophobicContact CG1-CE1 4.25Å; I86-F111 HydrophobicContact CG2-CE1 3.86Å; I86-F111 HydrophobicContact CG2-CZ 4.15Å; L89-F111 HydrophobicContact CD2-CD2 4.49Å; L89-F111 HydrophobicContact CD2-CE2 3.67Å; L89-F111 HydrophobicContact CD2-CZ 4.02Å; M108-F111 HydrophobicContact CE-CB 3.76Å; M108-F111 HydrophobicContact CE-CG 4.15Å; M108-F111 CarbonylContact O-C 3.52Å; M108-F111 WeakPolarHBondContact O-CA 3.46Å; M108-F111 WeakPolarHBondContact O-CB 3.49Å; M108-F111 PolarHBondContact O-N 3.47Å; M108-F111 HydrophobicContact SD-CB 4.39Å; M108-F111 HydrophobicContact SD-CD2 4.21Å; M108-F111 HydrophobicContact SD-CG 4.28Å; F111-T113 PolarHBondContact O-N 2.82Å; F111-A114 CarbonylContact O-C 3.48Å; F111-A114 WeakPolarHBondContact O-CA 3.18Å; F111-A114 PolarHBondContact O-N 3.4Å; F111-G115 PolarHBondContact O-N 3.5Å; F111-G115 VanDerWaalsContact O-N 3.09Å; F111-N116 WeakPolarHBondContact CB-O 3.17Å; F111-N116 HydrophobicContact CD1-CB 4.43Å; F111-N116 PolarHBondContact O-N 3.23Å; F111-V119 HydrophobicContact CD1-CG2 4.06Å; F111-V119 HydrophobicContact CE1-CG2 4.29Å; F111-L153 HydrophobicContact CZ-CD2 4.36Å
112	E	96.7	Very high	97.8	Very high	103 Å²	103	47.3 Å²	47.3	48%	0.481	27%	0.268	S	S	.	.	H	α-helix	trans	-54.5	-41.7	175	-77.9	169.9	-156.5	0	0	111.4	M108 A114 G115 F117	M108-E112 WeakPolarHBondContact O-CG 3.43Å; M108-E112 PolarHBondContact O-N 3.17Å; E112-A114 PolarHBondContact O-N 2.65Å; E112-G115 PolarHBondContact O-N 2.85Å; E112-F117 HydrophobicContact CG-CE1 3.78Å; E112-F117 HydrophobicContact CG-CZ 4.3Å
113	T	90.5	Very high	97.8	Very high	127 Å²	127	48.5 Å²	48.5	78%	0.779	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.9	178	67.5	0	0	0	0	113.3	L110 F111	L110-T113 PolarHBondContact O-OG1 2.92Å; F111-T113 PolarHBondContact O-N 2.82Å
114	A	94.9	Very high	97.8	Very high	28 Å²	28	49.5 Å²	49.5	23%	0.231	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-7.3	175.5	0	0	0	0	0	113	L83 K84 F111 E112 N116	L83-A114 HydrophobicContact CB-CB 3.83Å; L83-A114 HydrophobicContact CD1-CB 4.39Å; K84-A114 WeakPolarHBondContact CE-O 3.37Å; F111-A114 CarbonylContact O-C 3.48Å; F111-A114 WeakPolarHBondContact O-CA 3.18Å; F111-A114 PolarHBondContact O-N 3.4Å; E112-A114 PolarHBondContact O-N 2.65Å; A114-N116 VanDerWaalsContact C-N 3.31Å
115	G	97.9	Very high	97.8	Very high	49 Å²	49	54.2 Å²	54.2	51%	0.505	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	23.8	-174.4	0	0	0	0	0	114.2	F111 E112	F111-G115 PolarHBondContact O-N 3.5Å; F111-G115 VanDerWaalsContact O-N 3.09Å; E112-G115 PolarHBondContact O-N 2.85Å
116	N	98.2	Very high	97.7	Very high	12 Å²	12	54.2 Å²	54.2	6%	0.064	30%	0.298	C	S	.	.			trans	-100.6	100.1	179	-174	17.5	0	0	0	111.3	L83 I86 M108 F111 A114 V119 R150	L83-N116 PolarHBondContact O-ND2 3.17Å; I86-N116 PolarHBondContact O-ND2 3.08Å; M108-N116 WeakPolarHBondContact CE-O 3.49Å; F111-N116 WeakPolarHBondContact CB-O 3.17Å; F111-N116 HydrophobicContact CD1-CB 4.43Å; F111-N116 PolarHBondContact O-N 3.23Å; A114-N116 VanDerWaalsContact C-N 3.31Å; N116-V119 WeakPolarHBondContact ND2-CG2 3.49Å; N116-R150 PolarHBondContact OD1-NH1 2.87Å
117	F	98.1	Very high	97.7	Very high	143 Å²	143	54.4 Å²	54.4	63%	0.627	30%	0.3	S	S	*	.			trans	-103.7	-18.9	179.9	-60.2	-86.4	0	0	0	113.4	E112 V119	E112-F117 HydrophobicContact CG-CE1 3.78Å; E112-F117 HydrophobicContact CG-CZ 4.3Å; F117-V119 VanDerWaalsContact C-N 3.32Å; F117-V119 PolarHBondContact O-N 2.96Å
118	D	98.1	Very high	97.7	Very high	104 Å²	104	54.9 Å²	54.9	56%	0.556	30%	0.303	S	S	*	.			trans	-84.3	75.5	-180	179.1	29.6	0	0	0	109.5	R150	D118-R150 PolarHBondContact O-NH1 3.47Å; D118-R150 PolarHBondContact O-NH2 3.39Å; D118-R150 IonicContact OD2-NH2 3.57Å; D118-R150 PolarHBondContact OD2-NH2 3.24Å
119	V	98.5	Very high	97.7	Very high	13 Å²	13	54.2 Å²	54.2	8%	0.079	30%	0.3	C	S	.	.			trans	-134.1	111.1	-178.6	-174.9	0	0	0	0	109.3	I86 L89 K104 M108 F111 N116 F117	I86-V119 HydrophobicContact CG2-CG1 4.26Å; L89-V119 HydrophobicContact CB-CG1 3.66Å; K104-V119 PolarHBondContact NZ-O 3.43Å; M108-V119 HydrophobicContact CE-CB 4.23Å; M108-V119 HydrophobicContact CE-CG2 4.16Å; M108-V119 HydrophobicContact SD-CB 4.33Å; F111-V119 HydrophobicContact CD1-CG2 4.06Å; F111-V119 HydrophobicContact CE1-CG2 4.29Å; N116-V119 WeakPolarHBondContact ND2-CG2 3.49Å; F117-V119 VanDerWaalsContact C-N 3.32Å; F117-V119 PolarHBondContact O-N 2.96Å
120	E	98.5	Very high	97.8	Very high	85 Å²	85	50.1 Å²	50.1	40%	0.397	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-67.7	175.3	179.4	-75.5	-171	-118.9	0	0	113	G87 F88 L89 K104 W141	G87-E120 PolarHBondContact O-N 2.82Å; F88-E120 HydrophobicContact CD2-CB 3.69Å; F88-E120 HydrophobicContact CE2-CB 4.3Å; L89-E120 PolarHBondContact N-O 3.34Å; L89-E120 VanDerWaalsContact O-O 3.04Å; K104-E120 PolarHBondContact NZ-O 3.1Å; E120-W141 PolarHBondContact OE1-NE1 3.42Å
121	G	98.5	Very high	97.8	Very high	17 Å²	17	49.3 Å²	49.3	18%	0.175	28%	0.276	C	S	.	.			trans	89.4	162.1	178.5	0	0	0	0	0	114.6	L89 K104	L89-G121 CarbonylContact O-C 3.45Å; L89-G121 VanDerWaalsContact O-C 3.26Å; L89-G121 VanDerWaalsContact O-CA 3.28Å; L89-G121 WeakPolarHBondContact O-CA 3.26Å; K104-G121 WeakPolarHBondContact CD-O 3.3Å; K104-G121 PolarHBondContact NZ-O 3.44Å
122	T	98.5	Very high	97.9	Very high	78 Å²	78	49.3 Å²	49.3	48%	0.479	28%	0.277	S	S	.	.			trans	-143.4	-135.8	179.7	56.5	0	0	0	0	110.8	E90 V91 K104	E90-T122 WeakPolarHBondContact CA-O 3.46Å; E90-T122 WeakPolarHBondContact CG-O 3.46Å; V91-T122 PolarHBondContact N-O 2.76Å; K104-T122 WeakPolarHBondContact CB-O 3.36Å
123	D	98.8	Very high	97.9	Very high	43 Å²	43	46.3 Å²	46.3	23%	0.23	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	144	168.2	-74.8	19.2	0	0	0	108.5	V91 S102 T103 K104	V91-D123 WeakPolarHBondContact CB-OD1 3.24Å; V91-D123 CarbonylContact O-C 3.49Å; V91-D123 WeakPolarHBondContact O-CA 3.24Å; S102-D123 VanDerWaalsContact CB-CG 3.47Å; S102-D123 VanDerWaalsContact CB-OD1 3.32Å; S102-D123 WeakPolarHBondContact CB-OD1 3.4Å; T103-D123 VanDerWaalsContact CB-OD2 3.28Å; T103-D123 WeakPolarHBondContact CB-OD2 3.29Å; T103-D123 VanDerWaalsContact N-CG 3.3Å; T103-D123 PolarHBondContact N-OD1 3.43Å; T103-D123 VanDerWaalsContact N-OD1 3.14Å; T103-D123 PolarHBondContact N-OD2 3.28Å; T103-D123 PolarHBondContact OG1-OD2 2.88Å; K104-D123 PolarHBondContact N-OD1 2.63Å
124	T	98.7	Very high	98.4	Very high	29 Å²	29	40.3 Å²	40.3	18%	0.178	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.3	171.6	-179.5	0	0	0	0	110.6	E90 V91 G92 T93 G130 S133 A134	E90-T124 HydrophobicContact CG-CG2 4.17Å; V91-T124 PolarHBondContact O-N 2.98Å; G92-T124 WeakPolarHBondContact CA-O 3.36Å; T93-T124 PolarHBondContact N-O 2.84Å; T124-G130 WeakPolarHBondContact CG2-O 3.25Å; T124-S133 PolarHBondContact OG1-OG 2.9Å; T124-A134 HydrophobicContact CG2-CB 3.72Å
125	K	98.3	Very high	98.5	Very high	115 Å²	115	39 Å²	39	50%	0.5	22%	0.219	S	C	.	.			trans	-143.1	124.3	-170.9	174.7	175.6	174.8	170	0	112.1	I96	I96-K125 HydrophobicContact CD1-CD 4.03Å; I96-K125 HydrophobicContact CG1-CD 4.02Å; I96-K125 VanDerWaalsContact CG1-NZ 3.27Å
126	N	98.5	Very high	98.6	Very high	55 Å²	55	37.7 Å²	37.7	29%	0.294	20%	0.2	S	C	.	.	S	Bend	trans	-154.4	90.4	150.8	-176.8	97.9	0	0	0	108	C128 F129 G415 S416 A419	N126-C128 PolarHBondContact O-N 3.17Å; N126-F129 HydrophobicContact CB-CB 4.5Å; N126-F129 WeakPolarHBondContact O-CA 3.35Å; N126-F129 VanDerWaalsContact O-CB 3.22Å; N126-F129 WeakPolarHBondContact O-CB 3.25Å; N126-F129 PolarHBondContact O-N 2.7Å; N126-G415 PolarHBondContact ND2-O 2.89Å; N126-S416 PolarHBondContact ND2-O 2.72Å; N126-S416 VanDerWaalsContact ND2-O 3.15Å; N126-A419 HydrophobicContact CB-CB 4.48Å
127	A	98.3	Very high	98.6	Very high	14 Å²	14	38.2 Å²	38.2	12%	0.116	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	44.4	-139.3	-175.1	0	0	0	0	0	111.5	E94 F129 G130 T385	E94-A127 WeakPolarHBondContact OE1-CA 3.42Å; A127-F129 PolarHBondContact O-N 3.49Å; A127-G130 PolarHBondContact O-N 3.1Å; A127-T385 VanDerWaalsContact O-CG2 3.3Å; A127-T385 WeakPolarHBondContact O-CG2 3.24Å
128	C	98.7	Very high	98.6	Very high	11 Å²	11	31.4 Å²	31.4	7%	0.074	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-67.6	-3.1	178.6	-51.6	0	0	0	0	114.8	E94 N126 H269 Y384 T385 Y414	E94-C128 PolarHBondContact OE1-N 2.79Å; E94-C128 PolarHBondContact OE1-SG 3.46Å; E94-C128 VanDerWaalsContact OE1-SG 3.33Å; N126-C128 PolarHBondContact O-N 3.17Å; C128-H269 WeakPolarHBondContact CB-CE1 3.42Å; C128-H269 VanDerWaalsContact SG-CE1 3.58Å; C128-Y384 VanDerWaalsContact SG-CA 3.54Å; C128-Y384 VanDerWaalsContact SG-CB 3.52Å; C128-Y384 WeakPolarHBondContact SG-CD1 3.31Å; C128-T385 WeakPolarHBondContact O-CA 3.43Å; C128-Y414 CarbonylContact C-O 3.58Å; C128-Y414 VanDerWaalsContact CB-O 3.24Å; C128-Y414 WeakPolarHBondContact CB-O 3.36Å
129	F	98.8	Very high	98.5	Very high	9 Å²	9	26.4 Å²	26.4	4%	0.039	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-83.5	-16.5	177.2	-173.4	-103.6	0	0	0	113.3	N126 A127 G131 T132 S133 F136 M197 A419 A421	N126-F129 HydrophobicContact CB-CB 4.5Å; N126-F129 WeakPolarHBondContact O-CA 3.35Å; N126-F129 VanDerWaalsContact O-CB 3.22Å; N126-F129 WeakPolarHBondContact O-CB 3.25Å; N126-F129 PolarHBondContact O-N 2.7Å; A127-F129 PolarHBondContact O-N 3.49Å; F129-G131 VanDerWaalsContact C-N 3.3Å; F129-G131 PolarHBondContact O-N 3.41Å; F129-T132 HydrophobicContact CD2-CG2 4.43Å; F129-T132 HydrophobicContact CE2-CG2 3.75Å; F129-T132 HydrophobicContact CZ-CG2 4.08Å; F129-T132 PolarHBondContact O-N 3.31Å; F129-S133 PolarHBondContact O-N 3.44Å; F129-F136 HydrophobicContact CZ-CE2 4.37Å; F129-M197 HydrophobicContact CE1-CE 4.24Å; F129-A419 HydrophobicContact CB-CB 4.24Å; F129-A419 HydrophobicContact CD1-CB 3.79Å; F129-A419 HydrophobicContact CE1-CB 4.29Å; F129-A419 HydrophobicContact CG-CB 3.92Å; F129-A421 HydrophobicContact CE2-CB 3.62Å; F129-A421 HydrophobicContact CZ-CB 4.02Å
130	G	98.7	Very high	98.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-51.2	-43.4	-174.5	0	0	0	0	0	114.1	G92 T124 A127 T132 S133 A134	G92-G130 VanDerWaalsContact CA-C 3.45Å; T124-G130 WeakPolarHBondContact CG2-O 3.25Å; A127-G130 PolarHBondContact O-N 3.1Å; G130-T132 VanDerWaalsContact C-N 3.34Å; G130-T132 PolarHBondContact O-N 3.48Å; G130-S133 WeakPolarHBondContact O-CB 3.35Å; G130-S133 PolarHBondContact O-N 2.99Å; G130-A134 PolarHBondContact O-N 3.46Å
131	G	98.8	Very high	98.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.3	-40.7	177.3	0	0	0	0	0	113.4	F129 A134 L135 Y389	F129-G131 VanDerWaalsContact C-N 3.3Å; F129-G131 PolarHBondContact O-N 3.41Å; G131-A134 PolarHBondContact O-N 3.21Å; G131-L135 PolarHBondContact O-N 3.06Å; G131-Y389 PolarHBondContact O-OH 3.03Å; G131-Y389 VanDerWaalsContact O-OH 3.1Å
132	T	98.9	Very high	98.3	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-71.7	-34.5	175.8	-60.7	0	0	0	0	112.4	F129 G130 A134 L135 F136 Y389 S413 A421 Y423	F129-T132 HydrophobicContact CD2-CG2 4.43Å; F129-T132 HydrophobicContact CE2-CG2 3.75Å; F129-T132 HydrophobicContact CZ-CG2 4.08Å; F129-T132 PolarHBondContact O-N 3.31Å; G130-T132 VanDerWaalsContact C-N 3.34Å; G130-T132 PolarHBondContact O-N 3.48Å; T132-A134 VanDerWaalsContact C-N 3.32Å; T132-L135 PolarHBondContact O-N 2.93Å; T132-F136 HydrophobicContact CG2-CD1 4.48Å; T132-F136 HydrophobicContact CG2-CD2 4.11Å; T132-F136 HydrophobicContact CG2-CE1 4.01Å; T132-F136 HydrophobicContact CG2-CE2 3.6Å; T132-F136 HydrophobicContact CG2-CZ 3.54Å; T132-F136 WeakPolarHBondContact O-CG 3.39Å; T132-F136 PolarHBondContact O-N 2.76Å; T132-Y389 WeakPolarHBondContact CA-OH 3.46Å; T132-Y389 PolarHBondContact N-OH 3.46Å; T132-Y389 VanDerWaalsContact N-OH 3.15Å; T132-Y389 PolarHBondContact OG1-OH 2.74Å; T132-S413 WeakPolarHBondContact CB-OG 3.44Å; T132-S413 WeakPolarHBondContact OG1-CB 3.32Å; T132-S413 PolarHBondContact OG1-OG 2.88Å; T132-A421 HydrophobicContact CG2-CB 4.47Å; T132-Y423 HydrophobicContact CG2-CE1 3.92Å
133	S	98.8	Very high	98.1	Very high	40 Å²	40	27 Å²	27	28%	0.28	15%	0.146	S	C	.	.	H	α-helix	trans	-60.3	-44.8	170.1	-170.1	0	0	0	0	111.2	T124 F129 G130 F136 G137	T124-S133 PolarHBondContact OG1-OG 2.9Å; F129-S133 PolarHBondContact O-N 3.44Å; G130-S133 WeakPolarHBondContact O-CB 3.35Å; G130-S133 PolarHBondContact O-N 2.99Å; S133-F136 PolarHBondContact O-N 2.99Å; S133-G137 PolarHBondContact O-N 3.24Å
134	A	98.9	Very high	97.9	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.1	-42	178.4	0	0	0	0	0	111.9	E90 T124 G130 G131 T132 F136 G137 A138 V154	E90-A134 HydrophobicContact CB-CB 4.18Å; E90-A134 HydrophobicContact CG-CB 3.81Å; E90-A134 WeakPolarHBondContact OE2-CA 3.5Å; T124-A134 HydrophobicContact CG2-CB 3.72Å; G130-A134 PolarHBondContact O-N 3.46Å; G131-A134 PolarHBondContact O-N 3.21Å; T132-A134 VanDerWaalsContact C-N 3.32Å; A134-F136 VanDerWaalsContact C-N 3.34Å; A134-F136 PolarHBondContact O-N 3.37Å; A134-G137 PolarHBondContact O-N 3.41Å; A134-A138 WeakPolarHBondContact O-CB 3.26Å; A134-A138 PolarHBondContact O-N 2.9Å; A134-V154 HydrophobicContact CB-CG1 3.63Å; A134-V154 HydrophobicContact CB-CG2 4.37Å
135	L	98.8	Very high	97.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-55.9	-47.8	172.9	-175.1	82.3	0	0	0	111.5	G131 T132 A138 L139 I178 L180 Y389 Y423	G131-L135 PolarHBondContact O-N 3.06Å; T132-L135 PolarHBondContact O-N 2.93Å; L135-A138 PolarHBondContact O-N 2.95Å; L135-L139 HydrophobicContact CD2-CD1 4.49Å; L135-L139 HydrophobicContact CG-CD1 4.05Å; L135-L139 WeakPolarHBondContact O-CD1 3.34Å; L135-L139 VanDerWaalsContact O-CG 3.25Å; L135-L139 WeakPolarHBondContact O-CG 3.23Å; L135-L139 PolarHBondContact O-N 2.81Å; L135-I178 HydrophobicContact CD1-CD1 4.37Å; L135-I178 HydrophobicContact CD1-CG2 4.23Å; L135-L180 HydrophobicContact CD1-CD1 3.99Å; L135-L180 HydrophobicContact CD1-CD2 3.89Å; L135-L180 HydrophobicContact CD1-CG 4.44Å; L135-Y389 WeakPolarHBondContact CB-OH 3.43Å; L135-Y389 HydrophobicContact CD2-CE1 4.24Å; L135-Y423 HydrophobicContact CD2-CE2 3.89Å; L135-Y423 WeakPolarHBondContact CD2-OH 3.42Å
136	F	98.5	Very high	97.7	Very high	22 Å²	22	34 Å²	34	10%	0.096	19%	0.188	C	C	.	.	H	α-helix	trans	-68.8	-38.6	179.3	-66.8	-15.5	0	0	0	112.4	F129 T132 S133 A134 L139 N140 R193 A421 Y423	F129-F136 HydrophobicContact CZ-CE2 4.37Å; T132-F136 HydrophobicContact CG2-CD1 4.48Å; T132-F136 HydrophobicContact CG2-CD2 4.11Å; T132-F136 HydrophobicContact CG2-CE1 4.01Å; T132-F136 HydrophobicContact CG2-CE2 3.6Å; T132-F136 HydrophobicContact CG2-CZ 3.54Å; T132-F136 WeakPolarHBondContact O-CG 3.39Å; T132-F136 PolarHBondContact O-N 2.76Å; S133-F136 PolarHBondContact O-N 2.99Å; A134-F136 VanDerWaalsContact C-N 3.34Å; A134-F136 PolarHBondContact O-N 3.37Å; F136-L139 HydrophobicContact CD1-CD1 4.41Å; F136-L139 PolarHBondContact O-N 3Å; F136-N140 WeakPolarHBondContact O-CB 3.13Å; F136-N140 PolarHBondContact O-N 2.78Å; F136-N140 PolarHBondContact O-ND2 2.89Å; F136-N140 PolarHBondContact O-OD1 3.5Å; F136-R193 HydrophobicContact CE1-CG 4.12Å; F136-R193 HydrophobicContact CZ-CG 4.18Å; F136-A421 HydrophobicContact CE2-CB 3.75Å; F136-A421 HydrophobicContact CZ-CB 4.02Å; F136-Y423 AromaticContact CE1-CD1 3.96Å; F136-Y423 HydrophobicContact CE1-CD1 3.96Å; F136-Y423 HydrophobicContact CE1-CD2 4.42Å; F136-Y423 HydrophobicContact CE1-CE1 4.22Å; F136-Y423 HydrophobicContact CE1-CG 4.07Å; F136-Y423 AromaticContact CZ-CD1 3.67Å; F136-Y423 HydrophobicContact CZ-CD1 3.67Å; F136-Y423 HydrophobicContact CZ-CE1 4.12Å; F136-Y423 HydrophobicContact CZ-CG 4.08Å
137	G	98.2	Very high	97.4	Very high	23 Å²	23	33.1 Å²	33.1	24%	0.237	19%	0.186	C	C	.	.	H	α-helix	trans	-57.1	-50.2	173	0	0	0	0	0	111.7	S133 A134 L139 N140 W141	S133-G137 PolarHBondContact O-N 3.24Å; A134-G137 PolarHBondContact O-N 3.41Å; G137-L139 PolarHBondContact O-N 3.09Å; G137-N140 PolarHBondContact O-N 3.21Å; G137-W141 PolarHBondContact O-N 2.77Å
138	A	98.5	Very high	97.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.4	-43	177.4	0	0	0	0	0	113.3	F88 A134 L135 W141 L142 A152 V154 L180	F88-A138 HydrophobicContact CD1-CB 3.81Å; F88-A138 HydrophobicContact CE1-CB 3.68Å; A134-A138 WeakPolarHBondContact O-CB 3.26Å; A134-A138 PolarHBondContact O-N 2.9Å; L135-A138 PolarHBondContact O-N 2.95Å; A138-W141 PolarHBondContact O-N 3.09Å; A138-L142 WeakPolarHBondContact O-CG 3.38Å; A138-L142 PolarHBondContact O-N 3.09Å; A138-A152 HydrophobicContact CB-CB 3.82Å; A138-V154 HydrophobicContact CB-CG2 3.53Å; A138-L180 HydrophobicContact CB-CD1 3.5Å
139	L	97.3	Very high	96.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.7	-39.7	176.6	-69.9	164.1	0	0	0	111.9	F17 L135 F136 G137 W141 L142 E143 L180 I188 F190	F17-L139 HydrophobicContact CB-CD2 4.38Å; L135-L139 HydrophobicContact CD2-CD1 4.49Å; L135-L139 HydrophobicContact CG-CD1 4.05Å; L135-L139 WeakPolarHBondContact O-CD1 3.34Å; L135-L139 VanDerWaalsContact O-CG 3.25Å; L135-L139 WeakPolarHBondContact O-CG 3.23Å; L135-L139 PolarHBondContact O-N 2.81Å; F136-L139 HydrophobicContact CD1-CD1 4.41Å; F136-L139 PolarHBondContact O-N 3Å; G137-L139 PolarHBondContact O-N 3.09Å; L139-W141 VanDerWaalsContact C-N 3.32Å; L139-L142 HydrophobicContact CD2-CD1 4.45Å; L139-L142 PolarHBondContact O-N 3.28Å; L139-E143 WeakPolarHBondContact O-CG 3.38Å; L139-E143 PolarHBondContact O-N 3.3Å; L139-E143 VanDerWaalsContact O-N 3.08Å; L139-L180 HydrophobicContact CD2-CD2 4.47Å; L139-L180 HydrophobicContact CG-CD1 4.37Å; L139-I188 HydrophobicContact CD1-CB 4.43Å; L139-I188 HydrophobicContact CD1-CD1 3.99Å; L139-I188 HydrophobicContact CD1-CG1 3.75Å; L139-I188 HydrophobicContact CD1-CG2 4.17Å; L139-I188 HydrophobicContact CD2-CG1 3.88Å; L139-I188 HydrophobicContact CG-CG1 4.49Å; L139-F190 HydrophobicContact CD2-CZ 4.2Å
140	N	96.6	Very high	96.9	Very high	86 Å²	86	40.6 Å²	40.6	46%	0.46	24%	0.238	S	C	.	.	H	α-helix	trans	-65	-39.2	175.5	-64.7	-8.4	0	0	0	111	F136 G137 E143 S144 R193	F136-N140 WeakPolarHBondContact O-CB 3.13Å; F136-N140 PolarHBondContact O-N 2.78Å; F136-N140 PolarHBondContact O-ND2 2.89Å; F136-N140 PolarHBondContact O-OD1 3.5Å; G137-N140 PolarHBondContact O-N 3.21Å; N140-E143 PolarHBondContact O-N 3.22Å; N140-S144 WeakPolarHBondContact O-CB 3.45Å; N140-S144 PolarHBondContact O-N 3.18Å; N140-S144 VanDerWaalsContact O-N 3.08Å; N140-R193 PolarHBondContact OD1-NH1 2.98Å
141	W	97.6	Very high	96.8	Very high	11 Å²	11	42.4 Å²	42.4	4%	0.042	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-47.5	173.8	175.3	87.2	0	0	0	111.1	F88 E120 G137 A138 L139 E143 S144 C147 R150 A152	F88-W141 HydrophobicContact CB-CD2 3.69Å; F88-W141 HydrophobicContact CB-CE3 3.62Å; F88-W141 HydrophobicContact CB-CG 4.28Å; F88-W141 HydrophobicContact CB-CH2 4.18Å; F88-W141 HydrophobicContact CB-CZ2 4.22Å; F88-W141 HydrophobicContact CB-CZ3 3.87Å; F88-W141 HydrophobicContact CD2-CB 3.8Å; F88-W141 AromaticContact CD2-CD1 3.71Å; F88-W141 AromaticContact CD2-CD2 3.86Å; F88-W141 HydrophobicContact CD2-CD2 3.86Å; F88-W141 HydrophobicContact CD2-CE3 4.47Å; F88-W141 AromaticContact CD2-CG 3.51Å; F88-W141 HydrophobicContact CD2-CG 3.51Å; F88-W141 HydrophobicContact CE2-CB 3.99Å; F88-W141 HydrophobicContact CE2-CG 4.13Å; F88-W141 HydrophobicContact CG-CB 4.39Å; F88-W141 HydrophobicContact CG-CD2 4.05Å; F88-W141 HydrophobicContact CG-CE3 4.21Å; F88-W141 HydrophobicContact CG-CG 4.11Å; E120-W141 PolarHBondContact OE1-NE1 3.42Å; G137-W141 PolarHBondContact O-N 2.77Å; A138-W141 PolarHBondContact O-N 3.09Å; L139-W141 VanDerWaalsContact C-N 3.32Å; W141-E143 VanDerWaalsContact C-N 3.27Å; W141-E143 PolarHBondContact O-N 2.85Å; W141-S144 WeakPolarHBondContact O-CB 3.41Å; W141-S144 PolarHBondContact O-N 3.44Å; W141-S144 PolarHBondContact O-OG 2.86Å; W141-C147 WeakPolarHBondContact O-CB 3.39Å; W141-R150 HydrophobicContact CH2-CB 4.27Å; W141-R150 WeakPolarHBondContact CH2-O 3.44Å; W141-R150 WeakPolarHBondContact CZ3-O 3.49Å; W141-A152 HydrophobicContact CE3-CB 4.04Å; W141-A152 HydrophobicContact CZ3-CB 4.09Å
142	L	96.2	Very high	96.8	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-57.3	-36.4	177.3	-76.8	169.4	0	0	0	113.1	F17 A138 L139 C147 A152 L180	F17-L142 HydrophobicContact CD1-CB 4.02Å; F17-L142 HydrophobicContact CD1-CD1 4.04Å; F17-L142 HydrophobicContact CD1-CD2 4.23Å; F17-L142 HydrophobicContact CD1-CG 4.33Å; F17-L142 HydrophobicContact CD2-CB 4.42Å; F17-L142 HydrophobicContact CE1-CB 4.03Å; F17-L142 HydrophobicContact CE1-CD2 4.03Å; F17-L142 HydrophobicContact CE1-CG 4.45Å; F17-L142 HydrophobicContact CE2-CB 4.41Å; F17-L142 HydrophobicContact CG-CB 4.24Å; F17-L142 HydrophobicContact CG-CD1 4.46Å; F17-L142 HydrophobicContact CZ-CB 4.23Å; F17-L142 WeakPolarHBondContact CZ-O 3.42Å; A138-L142 WeakPolarHBondContact O-CG 3.38Å; A138-L142 PolarHBondContact O-N 3.09Å; L139-L142 HydrophobicContact CD2-CD1 4.45Å; L139-L142 PolarHBondContact O-N 3.28Å; L142-C147 WeakPolarHBondContact O-CB 3.43Å; L142-C147 PolarHBondContact O-SG 2.92Å; L142-A152 HydrophobicContact CD1-CB 4.24Å; L142-A152 HydrophobicContact CD2-CB 4.45Å; L142-A152 HydrophobicContact CG-CB 4.2Å; L142-L180 HydrophobicContact CD1-CB 3.73Å
143	E	94.2	Very high	96.8	Very high	103 Å²	103	42.3 Å²	42.3	48%	0.481	25%	0.247	S	C	.	.	H	α-helix	trans	-85.2	-7.6	177.6	-68.3	-174.5	123.2	0	0	114	F17 L139 N140 W141 F190	F17-E143 HydrophobicContact CD2-CG 3.98Å; F17-E143 HydrophobicContact CE2-CG 4.18Å; L139-E143 WeakPolarHBondContact O-CG 3.38Å; L139-E143 PolarHBondContact O-N 3.3Å; L139-E143 VanDerWaalsContact O-N 3.08Å; N140-E143 PolarHBondContact O-N 3.22Å; W141-E143 VanDerWaalsContact C-N 3.27Å; W141-E143 PolarHBondContact O-N 2.85Å; E143-F190 HydrophobicContact CG-CE1 4.06Å; E143-F190 HydrophobicContact CG-CZ 4.29Å; E143-F190 WeakPolarHBondContact OE1-CD1 3.25Å; E143-F190 WeakPolarHBondContact OE1-CE1 3.32Å; E143-F190 WeakPolarHBondContact OE2-CE1 3.42Å
144	S	95.5	Very high	96.8	Very high	42 Å²	42	40.4 Å²	40.4	29%	0.294	23%	0.234	S	C	.	.	S	Bend	trans	-85.7	164.8	-174.4	78.7	0	0	0	0	113.1	N140 W141 Y146 C147	N140-S144 WeakPolarHBondContact O-CB 3.45Å; N140-S144 PolarHBondContact O-N 3.18Å; N140-S144 VanDerWaalsContact O-N 3.08Å; W141-S144 WeakPolarHBondContact O-CB 3.41Å; W141-S144 PolarHBondContact O-N 3.44Å; W141-S144 PolarHBondContact O-OG 2.86Å; S144-Y146 PolarHBondContact O-N 3.08Å; S144-Y146 PolarHBondContact OG-N 3.35Å; S144-Y146 VanDerWaalsContact OG-N 3.14Å; S144-C147 WeakPolarHBondContact O-CB 3.25Å; S144-C147 PolarHBondContact O-N 2.97Å; S144-C147 PolarHBondContact OG-N 3.1Å
145	S	95.9	Very high	96.8	Very high	118 Å²	118	40.4 Å²	40.4	83%	0.825	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-10.2	169.7	58.6	0	0	0	0	114.2
146	Y	95.6	Very high	96.8	Very high	175 Å²	175	40.4 Å²	40.4	69%	0.686	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-12.7	175.7	-66.1	-78.6	0	0	0	112.7	S144 N148	S144-Y146 PolarHBondContact O-N 3.08Å; S144-Y146 PolarHBondContact OG-N 3.35Å; S144-Y146 VanDerWaalsContact OG-N 3.14Å; Y146-N148 PolarHBondContact O-N 3.43Å; Y146-N148 VanDerWaalsContact O-N 3.14Å
147	C	93.1	Very high	96.9	Very high	35 Å²	35	39.4 Å²	39.4	24%	0.236	23%	0.229	C	C	.	.			trans	-58.7	120	174	-175.5	0	0	0	0	109.7	W141 L142 S144	W141-C147 WeakPolarHBondContact O-CB 3.39Å; L142-C147 WeakPolarHBondContact O-CB 3.43Å; L142-C147 PolarHBondContact O-SG 2.92Å; S144-C147 WeakPolarHBondContact O-CB 3.25Å; S144-C147 PolarHBondContact O-N 2.97Å; S144-C147 PolarHBondContact OG-N 3.1Å
148	N	92.6	Very high	96.9	Very high	79 Å²	79	38.3 Å²	38.3	42%	0.422	22%	0.218	S	C	.	.			trans	-100.9	27.9	-178	67.4	0.1	0	0	0	113.1	Y146 R150	Y146-N148 PolarHBondContact O-N 3.43Å; Y146-N148 VanDerWaalsContact O-N 3.14Å; N148-R150 VanDerWaalsContact ND2-CZ 3.3Å; N148-R150 PolarHBondContact ND2-NE 3.33Å; N148-R150 VanDerWaalsContact ND2-NE 3.13Å; N148-R150 PolarHBondContact ND2-NH2 3.01Å; N148-R150 PolarHBondContact O-N 3.5Å; N148-R150 WeakPolarHBondContact OD1-CB 3.22Å; N148-R150 WeakPolarHBondContact OD1-CG 3.22Å; N148-R150 PolarHBondContact OD1-NE 2.81Å
149	G	94.3	Very high	96.9	Very high	75 Å²	75	38.5 Å²	38.5	77%	0.773	22%	0.219	S	C	*	.	S	Bend	trans	76.4	-2.2	179.8	0	0	0	0	0	114.9
150	R	97.3	Very high	96.9	Very high	37 Å²	37	38.7 Å²	38.7	14%	0.14	22%	0.22	C	C	.	.			trans	-82.6	163.8	175	-69.8	-172.6	-61.8	173.8	1.9	112	K84 T85 I86 G87 N116 D118 W141 N148	K84-R150 VanDerWaalsContact O-CD 3.31Å; K84-R150 WeakPolarHBondContact O-CD 3.31Å; T85-R150 CarbonylContact O-C 3.55Å; T85-R150 WeakPolarHBondContact O-CA 3.44Å; T85-R150 WeakPolarHBondContact O-CB 3.27Å; I86-R150 PolarHBondContact O-NH1 2.9Å; G87-R150 VanDerWaalsContact CA-NE 3.28Å; G87-R150 VanDerWaalsContact CA-NH2 3.29Å; N116-R150 PolarHBondContact OD1-NH1 2.87Å; D118-R150 PolarHBondContact O-NH1 3.47Å; D118-R150 PolarHBondContact O-NH2 3.39Å; D118-R150 IonicContact OD2-NH2 3.57Å; D118-R150 PolarHBondContact OD2-NH2 3.24Å; W141-R150 HydrophobicContact CH2-CB 4.27Å; W141-R150 WeakPolarHBondContact CH2-O 3.44Å; W141-R150 WeakPolarHBondContact CZ3-O 3.49Å; N148-R150 VanDerWaalsContact ND2-CZ 3.3Å; N148-R150 PolarHBondContact ND2-NE 3.33Å; N148-R150 VanDerWaalsContact ND2-NE 3.13Å; N148-R150 PolarHBondContact ND2-NH2 3.01Å; N148-R150 PolarHBondContact O-N 3.5Å; N148-R150 WeakPolarHBondContact OD1-CB 3.22Å; N148-R150 WeakPolarHBondContact OD1-CG 3.22Å; N148-R150 PolarHBondContact OD1-NE 2.81Å
151	M	97.9	Very high	96.8	Very high	38 Å²	38	35.3 Å²	35.3	19%	0.187	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	161.2	176.1	-66.6	-177.2	-69.2	0	0	111.6	I20 L81 T85 I86 G87 L179 L180	I20-M151 HydrophobicContact CD1-SD 3.91Å; L81-M151 HydrophobicContact CD1-CE 3.59Å; T85-M151 PolarHBondContact O-N 3.49Å; T85-M151 WeakPolarHBondContact OG1-CE 3.36Å; I86-M151 WeakPolarHBondContact CA-O 3.47Å; I86-M151 HydrophobicContact CD1-CB 3.87Å; I86-M151 HydrophobicContact CD1-CE 4.13Å; G87-M151 PolarHBondContact N-O 2.81Å; M151-L179 HydrophobicContact CB-CD1 3.89Å; M151-L179 HydrophobicContact CE-CD1 4.22Å; M151-L179 HydrophobicContact CE-CD2 4.19Å; M151-L179 HydrophobicContact SD-CD1 3.98Å; M151-L179 HydrophobicContact SD-CD2 3.84Å; M151-L179 HydrophobicContact SD-CG 4Å; M151-L180 WeakPolarHBondContact CA-O 3.35Å; M151-L180 VanDerWaalsContact CB-O 3.31Å; M151-L180 WeakPolarHBondContact CB-O 3.48Å
152	A	98.6	Very high	96.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	139.1	173.5	0	0	0	0	0	110.6	F88 A138 W141 L142 L180	F88-A152 HydrophobicContact CB-CB 3.84Å; F88-A152 HydrophobicContact CD1-CB 4.06Å; F88-A152 HydrophobicContact CG-CB 4.3Å; F88-A152 CarbonylContact O-C 3.58Å; F88-A152 WeakPolarHBondContact O-CA 3.38Å; A138-A152 HydrophobicContact CB-CB 3.82Å; W141-A152 HydrophobicContact CE3-CB 4.04Å; W141-A152 HydrophobicContact CZ3-CB 4.09Å; L142-A152 HydrophobicContact CD1-CB 4.24Å; L142-A152 HydrophobicContact CD2-CB 4.45Å; L142-A152 HydrophobicContact CG-CB 4.2Å; A152-L180 HydrophobicContact CB-CB 4.26Å; A152-L180 PolarHBondContact N-O 2.81Å; A152-L180 PolarHBondContact O-N 3.29Å
153	L	98.9	Very high	95.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.1	176.6	-178.5	59.5	0	0	0	109.2	V72 L75 I86 F88 L89 E90 F111 A177	V72-L153 HydrophobicContact CG1-CD2 3.97Å; V72-L153 HydrophobicContact CG2-CD2 4.39Å; L75-L153 HydrophobicContact CD2-CD1 3.67Å; I86-L153 HydrophobicContact CG2-CB 4.13Å; F88-L153 PolarHBondContact O-N 2.99Å; L89-L153 VanDerWaalsContact CA-O 3.26Å; L89-L153 WeakPolarHBondContact CA-O 3.43Å; L89-L153 HydrophobicContact CD1-CB 3.97Å; L89-L153 HydrophobicContact CD1-CD2 3.89Å; L89-L153 HydrophobicContact CD1-CG 3.77Å; E90-L153 PolarHBondContact N-O 3.11Å; E90-L153 VanDerWaalsContact N-O 3.1Å; F111-L153 HydrophobicContact CZ-CD2 4.36Å; L153-A177 HydrophobicContact CD1-CB 4.32Å
154	V	98.9	Very high	95.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	138.2	174.6	169.5	0	0	0	0	108.9	E90 A134 A138 A177 I178 L180	E90-V154 WeakPolarHBondContact O-CA 3.44Å; A134-V154 HydrophobicContact CB-CG1 3.63Å; A134-V154 HydrophobicContact CB-CG2 4.37Å; A138-V154 HydrophobicContact CB-CG2 3.53Å; V154-A177 CarbonylContact O-C 3.54Å; V154-A177 WeakPolarHBondContact O-CA 3.5Å; V154-I178 HydrophobicContact CB-CB 4.25Å; V154-I178 HydrophobicContact CG1-CD1 4.31Å; V154-I178 PolarHBondContact N-O 3.04Å; V154-I178 PolarHBondContact O-N 3.08Å; V154-L180 HydrophobicContact CG2-CD1 4.06Å
155	V	99	Very high	94.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118.3	174	-174.5	0	0	0	0	108.8	C68 V71 V72 L89 E90 V91 G92 L107 A157 V176	C68-V155 HydrophobicContact CB-CG1 4.23Å; V71-V155 HydrophobicContact CG1-CG1 4.04Å; V72-V155 HydrophobicContact CG2-CG2 3.5Å; V72-V155 VanDerWaalsContact CG2-CG2 3.5Å; L89-V155 HydrophobicContact CD1-CG2 4.09Å; E90-V155 PolarHBondContact O-N 3.39Å; V91-V155 CarbonylContact C-O 3.58Å; V91-V155 VanDerWaalsContact CA-O 3.27Å; V91-V155 WeakPolarHBondContact CA-O 3.44Å; V91-V155 HydrophobicContact CG1-CB 4.43Å; V91-V155 HydrophobicContact CG2-CB 4.26Å; G92-V155 PolarHBondContact N-O 2.91Å; L107-V155 HydrophobicContact CD1-CG2 4.03Å; V155-A157 HydrophobicContact CG1-CB 4.32Å; V155-V176 WeakPolarHBondContact CA-O 3.45Å
156	A	99	Very high	94.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.7	169.9	0	0	0	0	0	108	G92 A175 V176 A386 Y389	G92-A156 WeakPolarHBondContact O-CA 3.4Å; A156-A175 CarbonylContact O-C 3.55Å; A156-A175 VanDerWaalsContact O-CA 3.26Å; A156-A175 WeakPolarHBondContact O-CA 3.44Å; A156-V176 PolarHBondContact N-O 2.69Å; A156-V176 PolarHBondContact O-N 3.42Å; A156-A386 HydrophobicContact CB-CB 4.43Å; A156-A386 WeakPolarHBondContact O-CB 3.48Å; A156-Y389 HydrophobicContact CB-CD2 3.75Å; A156-Y389 HydrophobicContact CB-CE2 3.9Å
157	A	98.9	Very high	93.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	144.2	-173.2	0	0	0	0	0	112.5	I64 I67 C68 G92 T93 V155 G174 A175 T385	I64-A157 HydrophobicContact CD1-CB 3.6Å; I64-A157 VanDerWaalsContact CD1-O 3.24Å; I64-A157 WeakPolarHBondContact CD1-O 3.38Å; I67-A157 HydrophobicContact CD1-CB 4.2Å; I67-A157 HydrophobicContact CG1-CB 4.35Å; C68-A157 WeakPolarHBondContact SG-CB 3.48Å; G92-A157 PolarHBondContact O-N 3.3Å; G92-A157 VanDerWaalsContact O-N 3.17Å; T93-A157 VanDerWaalsContact CB-O 3.23Å; T93-A157 WeakPolarHBondContact CB-O 3.48Å; T93-A157 PolarHBondContact OG1-O 2.89Å; V155-A157 HydrophobicContact CG1-CB 4.32Å; A157-G174 WeakPolarHBondContact CA-O 3.39Å; A157-A175 HydrophobicContact CB-CB 3.48Å; A157-A175 VanDerWaalsContact CB-CB 3.48Å; A157-T385 PolarHBondContact N-OG1 3.43Å; A157-T385 PolarHBondContact O-OG1 3.37Å
158	D	98.9	Very high	93.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	161.5	179	-83	-61.4	0	0	0	114	T93 E94 T95 A173 G174 Y384 T385	T93-D158 PolarHBondContact OG1-OD1 3.14Å; T93-D158 VanDerWaalsContact OG1-OD1 3.04Å; E94-D158 VanDerWaalsContact CG-OD1 3.24Å; E94-D158 WeakPolarHBondContact CG-OD1 3.38Å; E94-D158 PolarHBondContact N-OD1 2.77Å; T95-D158 WeakPolarHBondContact CB-OD1 3.22Å; T95-D158 PolarHBondContact N-OD1 3.31Å; T95-D158 WeakPolarHBondContact OG1-CA 3.37Å; T95-D158 PolarHBondContact OG1-OD1 2.84Å; D158-A173 WeakPolarHBondContact O-CA 3.28Å; D158-G174 PolarHBondContact N-O 2.99Å; D158-G174 PolarHBondContact O-N 3.34Å; D158-Y384 HydrophobicContact CB-CD2 3.75Å; D158-Y384 HydrophobicContact CB-CG 4.09Å; D158-Y384 WeakPolarHBondContact OD2-CB 3.3Å; D158-T385 VanDerWaalsContact OD2-CB 3.24Å; D158-T385 WeakPolarHBondContact OD2-CB 3.4Å; D158-T385 WeakPolarHBondContact OD2-CG2 3.31Å; D158-T385 PolarHBondContact OD2-N 2.67Å; D158-T385 PolarHBondContact OD2-OG1 2.93Å
159	I	98.4	Very high	93.9	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.026	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	104.8	167.5	-57.2	176	0	0	0	107.8	C58 I67 T95 V161 A173	C58-I159 HydrophobicContact CB-CD1 4.02Å; C58-I159 HydrophobicContact CB-CG2 4.38Å; I67-I159 HydrophobicContact CD1-CG1 4.07Å; T95-I159 HydrophobicContact CG2-CB 4.19Å; T95-I159 PolarHBondContact OG1-N 3.19Å; I159-V161 HydrophobicContact CG2-CG1 4.04Å; I159-V161 PolarHBondContact O-N 3.04Å; I159-A173 HydrophobicContact CB-CB 4.35Å; I159-A173 HydrophobicContact CG1-CB 4.15Å; I159-A173 HydrophobicContact CG2-CB 4.28Å
160	A	97.3	Very high	94	Very high	3 Å²	3	23.2 Å²	23.2	3%	0.025	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	100.9	-178.3	0	0	0	0	0	111.3	Y162 G171 G172 N382 Y384	A160-Y162 HydrophobicContact CB-CE2 4.41Å; A160-G171 WeakPolarHBondContact O-CA 3.45Å; A160-G172 WeakPolarHBondContact CA-O 3.48Å; A160-G172 WeakPolarHBondContact CB-O 3.32Å; A160-G172 PolarHBondContact N-O 2.83Å; A160-G172 PolarHBondContact O-N 3.05Å; A160-G172 VanDerWaalsContact O-N 3.14Å; A160-N382 VanDerWaalsContact CB-O 3.24Å; A160-N382 WeakPolarHBondContact CB-O 3.5Å; A160-Y384 VanDerWaalsContact CA-CE2 3.42Å; A160-Y384 HydrophobicContact CB-CD1 3.84Å; A160-Y384 HydrophobicContact CB-CD2 3.79Å; A160-Y384 HydrophobicContact CB-CE1 3.5Å; A160-Y384 HydrophobicContact CB-CE2 3.44Å; A160-Y384 VanDerWaalsContact CB-CE2 3.44Å; A160-Y384 HydrophobicContact CB-CG 3.97Å
161	V	94.2	Very high	94	Very high	16 Å²	16	21.6 Å²	21.6	10%	0.097	12%	0.124	C	C	.	.			trans	-121.7	143.4	178.7	-69.7	0	0	0	0	111.8	I159 E211 Y212 L470	I159-V161 HydrophobicContact CG2-CG1 4.04Å; I159-V161 PolarHBondContact O-N 3.04Å; V161-E211 HydrophobicContact CG2-CB 3.7Å; V161-E211 WeakPolarHBondContact CG2-OE2 3.38Å; V161-Y212 HydrophobicContact CB-CD1 4.48Å; V161-Y212 HydrophobicContact CB-CE1 4.22Å; V161-Y212 HydrophobicContact CG2-CD1 4.23Å; V161-Y212 HydrophobicContact CG2-CE1 4.2Å; V161-L470 HydrophobicContact CG1-CD2 4.26Å
162	Y	90.7	Very high	94	Very high	21 Å²	21	20 Å²	20	8%	0.082	12%	0.117	C	C	.	.			trans	-131.2	134.7	-175.3	-63.9	-93.8	0	0	0	111	A160 A167 F203 P213 Y384	A160-Y162 HydrophobicContact CB-CE2 4.41Å; Y162-A167 HydrophobicContact CD1-CB 3.63Å; Y162-A167 HydrophobicContact CE1-CB 4.24Å; Y162-A167 HydrophobicContact CG-CB 3.88Å; Y162-F203 AromaticContact CE1-CE2 3.8Å; Y162-F203 HydrophobicContact CE1-CE2 3.8Å; Y162-P213 HydrophobicContact CD1-CG 3.8Å; Y162-P213 HydrophobicContact CE1-CG 3.85Å; Y162-Y384 VanDerWaalsContact CZ-OH 3.32Å; Y162-Y384 WeakPolarHBondContact OH-CE1 3.4Å; Y162-Y384 PolarHBondContact OH-OH 3.17Å
163	G	82	Confident	94	Very high	38 Å²	38	20 Å²	20	39%	0.392	12%	0.117	S	C	.	.	S	Bend	trans	-77.3	-35.5	175.6	0	0	0	0	0	112.7	K165 Y212	G163-K165 PolarHBondContact O-N 2.91Å; G163-Y212 VanDerWaalsContact N-CG 3.32Å
164	D	81.2	Confident	94	Very high	88 Å²	88	20 Å²	20	47%	0.471	12%	0.117	S	C	.	.	S	Bend	trans	-69.5	126.6	176.2	-176	-2.3	0	0	0	110.6	S166 A167 R168	D164-S166 VanDerWaalsContact CG-OG 3.24Å; D164-S166 PolarHBondContact O-N 3.43Å; D164-S166 PolarHBondContact OD1-N 3.29Å; D164-S166 PolarHBondContact OD1-OG 3.07Å; D164-S166 PolarHBondContact OD2-OG 3.46Å; D164-A167 HydrophobicContact CB-CB 4.37Å; D164-A167 PolarHBondContact O-N 2.92Å; D164-A167 VanDerWaalsContact O-N 3.14Å; D164-R168 PolarHBondContact O-N 2.91Å
165	K	84	Confident	94	Very high	97 Å²	97	20 Å²	20	42%	0.422	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-33.9	175.1	-168.5	173.3	179.8	177.3	0	111.7	D40 G163 P169	D40-K165 WeakPolarHBondContact OD1-CE 3.45Å; D40-K165 IonicContact OD1-NZ 3.01Å; D40-K165 PolarHBondContact OD1-NZ 3.15Å; G163-K165 PolarHBondContact O-N 2.91Å; K165-P169 WeakPolarHBondContact O-CD 3.44Å
166	S	85	Confident	94	Very high	65 Å²	65	20 Å²	20	46%	0.455	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-29.2	-179.4	84.5	0	0	0	0	114.2	D164	D164-S166 VanDerWaalsContact CG-OG 3.24Å; D164-S166 PolarHBondContact O-N 3.43Å; D164-S166 PolarHBondContact OD1-N 3.29Å; D164-S166 PolarHBondContact OD1-OG 3.07Å; D164-S166 PolarHBondContact OD2-OG 3.46Å
167	A	89.7	Confident	94	Very high	14 Å²	14	20 Å²	20	12%	0.116	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-21.1	-179.3	0	0	0	0	0	112.6	Y162 D164 P169 T170	Y162-A167 HydrophobicContact CD1-CB 3.63Å; Y162-A167 HydrophobicContact CE1-CB 4.24Å; Y162-A167 HydrophobicContact CG-CB 3.88Å; D164-A167 HydrophobicContact CB-CB 4.37Å; D164-A167 PolarHBondContact O-N 2.92Å; D164-A167 VanDerWaalsContact O-N 3.14Å; A167-P169 VanDerWaalsContact C-N 3.3Å; A167-P169 VanDerWaalsContact O-N 3.16Å; A167-T170 PolarHBondContact O-N 3.16Å; A167-T170 PolarHBondContact O-OG1 2.99Å
168	R	91.8	Very high	94	Very high	45 Å²	45	20 Å²	20	17%	0.17	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-46.3	-41.4	177	-165.8	-171.7	-60.5	174	-0.8	114.6	D164 T170 G171 F466 E467 L470	D164-R168 PolarHBondContact O-N 2.91Å; R168-T170 PolarHBondContact O-N 3.06Å; R168-T170 VanDerWaalsContact O-N 3.13Å; R168-G171 PolarHBondContact O-N 3.39Å; R168-G171 VanDerWaalsContact O-N 3.1Å; R168-F466 HydrophobicContact CG-CE1 4.18Å; R168-F466 HydrophobicContact CG-CZ 4.17Å; R168-E467 IonicContact CZ-OE1 3.98Å; R168-E467 IonicContact NH1-OE1 2.81Å; R168-E467 PolarHBondContact NH1-OE1 3.13Å; R168-L470 HydrophobicContact CG-CD1 4.18Å
169	P	96	Very high	94	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-65.4	-14.8	178.5	-20.7	33.5	0	0	0	114.3	Q33 Y46 L50 K165 A167	Q33-P169 PolarHBondContact NE2-O 3.36Å; Y46-P169 HydrophobicContact CD1-CB 3.91Å; Y46-P169 HydrophobicContact CD1-CG 3.82Å; Y46-P169 HydrophobicContact CD2-CB 3.99Å; Y46-P169 HydrophobicContact CD2-CG 3.91Å; Y46-P169 HydrophobicContact CE1-CB 4.1Å; Y46-P169 HydrophobicContact CE1-CG 3.47Å; Y46-P169 VanDerWaalsContact CE1-CG 3.47Å; Y46-P169 HydrophobicContact CE2-CB 4.17Å; Y46-P169 HydrophobicContact CE2-CG 3.56Å; Y46-P169 HydrophobicContact CG-CB 3.88Å; Y46-P169 HydrophobicContact CG-CG 4.05Å; L50-P169 HydrophobicContact CD1-CB 4.02Å; K165-P169 WeakPolarHBondContact O-CD 3.44Å; A167-P169 VanDerWaalsContact C-N 3.3Å; A167-P169 VanDerWaalsContact O-N 3.16Å
170	T	96.2	Very high	94	Very high	20 Å²	20	19.9 Å²	19.9	12%	0.123	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-97	9.5	177	63.9	0	0	0	0	113.5	L50 A167 R168 F272 N382	L50-T170 HydrophobicContact CD1-CG2 3.78Å; L50-T170 HydrophobicContact CD2-CG2 4.34Å; A167-T170 PolarHBondContact O-N 3.16Å; A167-T170 PolarHBondContact O-OG1 2.99Å; R168-T170 PolarHBondContact O-N 3.06Å; R168-T170 VanDerWaalsContact O-N 3.13Å; T170-F272 HydrophobicContact CG2-CD1 3.91Å; T170-F272 HydrophobicContact CG2-CG 4.49Å; T170-N382 WeakPolarHBondContact O-CB 3.22Å
171	G	97.2	Very high	93.9	Very high	3 Å²	3	19.7 Å²	19.7	3%	0.031	12%	0.115	C	C	.	.			trans	-65.9	-170.6	170.3	0	0	0	0	0	113.3	L55 A160 R168 G381 N382	L55-G171 WeakPolarHBondContact CD1-O 3.41Å; A160-G171 WeakPolarHBondContact O-CA 3.45Å; R168-G171 PolarHBondContact O-N 3.39Å; R168-G171 VanDerWaalsContact O-N 3.1Å; G171-G381 CarbonylContact O-C 3.59Å; G171-G381 WeakPolarHBondContact O-CA 3.33Å; G171-N382 PolarHBondContact O-N 2.85Å
172	G	98.4	Very high	94	Very high	4 Å²	4	21.6 Å²	21.6	4%	0.041	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.8	175.7	176.7	0	0	0	0	0	110.2	G56 A160 N382	G56-G172 CarbonylContact O-C 3.26Å; G56-G172 WeakPolarHBondContact O-CA 3.31Å; A160-G172 WeakPolarHBondContact CA-O 3.48Å; A160-G172 WeakPolarHBondContact CB-O 3.32Å; A160-G172 PolarHBondContact N-O 2.83Å; A160-G172 PolarHBondContact O-N 3.05Å; A160-G172 VanDerWaalsContact O-N 3.14Å; G172-N382 CarbonylContact C-O 3.37Å; G172-N382 VanDerWaalsContact C-O 3.24Å; G172-N382 WeakPolarHBondContact CA-O 3.49Å; G172-N382 PolarHBondContact N-O 3.04Å
173	A	98.7	Very high	94.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	152.1	170.2	0	0	0	0	0	110.5	P27 D158 I159 I380 M383	P27-A173 WeakPolarHBondContact CD-O 3.36Å; P27-A173 HydrophobicContact CG-CB 3.71Å; D158-A173 WeakPolarHBondContact O-CA 3.28Å; I159-A173 HydrophobicContact CB-CB 4.35Å; I159-A173 HydrophobicContact CG1-CB 4.15Å; I159-A173 HydrophobicContact CG2-CB 4.28Å; A173-I380 VanDerWaalsContact O-CG2 3.24Å; A173-I380 WeakPolarHBondContact O-CG2 3.38Å; A173-M383 WeakPolarHBondContact O-CG 3.4Å
174	G	98.8	Very high	94.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.4	175.3	176.6	0	0	0	0	0	112.9	Y25 A157 D158	Y25-G174 CarbonylContact O-C 3.54Å; Y25-G174 WeakPolarHBondContact O-CA 3.4Å; A157-G174 WeakPolarHBondContact CA-O 3.39Å; D158-G174 PolarHBondContact N-O 2.99Å; D158-G174 PolarHBondContact O-N 3.34Å
175	A	98.9	Very high	95.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	145.8	178.9	0	0	0	0	0	110.5	I24 Y25 I67 V71 A156 A157	I24-A175 WeakPolarHBondContact CA-O 3.39Å; Y25-A175 PolarHBondContact N-O 3.37Å; Y25-A175 PolarHBondContact O-N 3.43Å; I67-A175 HydrophobicContact CB-CB 4.44Å; I67-A175 HydrophobicContact CD1-CB 4.47Å; I67-A175 HydrophobicContact CG1-CB 4.3Å; V71-A175 HydrophobicContact CB-CB 4.04Å; V71-A175 HydrophobicContact CG1-CB 3.69Å; A156-A175 CarbonylContact O-C 3.55Å; A156-A175 VanDerWaalsContact O-CA 3.26Å; A156-A175 WeakPolarHBondContact O-CA 3.44Å; A157-A175 HydrophobicContact CB-CB 3.48Å; A157-A175 VanDerWaalsContact CB-CB 3.48Å
176	V	98.9	Very high	96	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.5	171.1	177.9	0	0	0	0	109	L22 E23 I24 V155 A156 I178 A386	L22-V176 HydrophobicContact CD2-CG1 4.11Å; E23-V176 CarbonylContact O-C 3.59Å; E23-V176 VanDerWaalsContact O-CA 3.23Å; E23-V176 WeakPolarHBondContact O-CA 3.35Å; I24-V176 HydrophobicContact CB-CG2 4.35Å; I24-V176 HydrophobicContact CD1-CG2 4.21Å; I24-V176 HydrophobicContact CG1-CG2 3.94Å; V155-V176 WeakPolarHBondContact CA-O 3.45Å; A156-V176 PolarHBondContact N-O 2.69Å; A156-V176 PolarHBondContact O-N 3.42Å; V176-I178 HydrophobicContact CG1-CG1 3.91Å; V176-A386 HydrophobicContact CG2-CB 4.2Å
177	A	98.9	Very high	96.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	135.7	168.1	0	0	0	0	0	109.8	L22 E23 V71 V72 L75 L153 V154	L22-A177 CarbonylContact C-O 3.43Å; L22-A177 WeakPolarHBondContact CA-O 3.38Å; E23-A177 HydrophobicContact CB-CB 4.33Å; E23-A177 PolarHBondContact N-O 3.09Å; E23-A177 PolarHBondContact O-N 2.82Å; V71-A177 HydrophobicContact CG1-CB 4.11Å; V71-A177 HydrophobicContact CG2-CB 3.95Å; V72-A177 HydrophobicContact CG2-CB 4.44Å; L75-A177 HydrophobicContact CB-CB 4.45Å; L75-A177 HydrophobicContact CD2-CB 3.88Å; L153-A177 HydrophobicContact CD1-CB 4.32Å; V154-A177 CarbonylContact O-C 3.54Å; V154-A177 WeakPolarHBondContact O-CA 3.5Å
178	I	98.8	Very high	96.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	108.6	-173.4	-47.1	173.9	0	0	0	108	I19 L22 L135 V154 V176 L180 Y389	I19-I178 HydrophobicContact CB-CG2 4.39Å; I19-I178 HydrophobicContact CD1-CG2 4.05Å; I19-I178 HydrophobicContact CG1-CG2 3.74Å; I19-I178 HydrophobicContact CG2-CG2 3.97Å; L22-I178 HydrophobicContact CD2-CB 4.1Å; L22-I178 HydrophobicContact CD2-CG1 3.76Å; L22-I178 HydrophobicContact CD2-CG2 3.89Å; L135-I178 HydrophobicContact CD1-CD1 4.37Å; L135-I178 HydrophobicContact CD1-CG2 4.23Å; V154-I178 HydrophobicContact CB-CB 4.25Å; V154-I178 HydrophobicContact CG1-CD1 4.31Å; V154-I178 PolarHBondContact N-O 3.04Å; V154-I178 PolarHBondContact O-N 3.08Å; V176-I178 HydrophobicContact CG1-CG1 3.91Å; I178-L180 HydrophobicContact CG2-CD2 4.01Å; I178-L180 HydrophobicContact CG2-CG 4.29Å; I178-Y389 HydrophobicContact CD1-CD1 3.41Å; I178-Y389 VanDerWaalsContact CD1-CD1 3.41Å; I178-Y389 HydrophobicContact CD1-CD2 4.06Å; I178-Y389 HydrophobicContact CD1-CE1 3.5Å; I178-Y389 VanDerWaalsContact CD1-CE1 3.5Å; I178-Y389 HydrophobicContact CD1-CE2 4.14Å; I178-Y389 HydrophobicContact CD1-CG 3.69Å
179	L	98.7	Very high	96.9	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.01	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	126.1	173.4	-175.1	65.7	0	0	0	109.5	I20 A21 L75 I79 L81 I86 M151	I20-L179 HydrophobicContact CB-CD2 4.36Å; I20-L179 HydrophobicContact CB-CG 4.37Å; I20-L179 HydrophobicContact CG2-CD2 4.2Å; I20-L179 PolarHBondContact N-O 2.88Å; A21-L179 HydrophobicContact CB-CB 3.99Å; A21-L179 HydrophobicContact CB-CD2 4.17Å; A21-L179 PolarHBondContact N-O 3.18Å; A21-L179 PolarHBondContact O-N 3.18Å; L75-L179 HydrophobicContact CD2-CB 4.38Å; I79-L179 HydrophobicContact CD1-CD2 3.63Å; L81-L179 HydrophobicContact CD1-CD1 4.5Å; L81-L179 HydrophobicContact CD1-CD2 4.09Å; L81-L179 HydrophobicContact CD2-CD1 4.45Å; I86-L179 HydrophobicContact CD1-CD1 3.56Å; M151-L179 HydrophobicContact CB-CD1 3.89Å; M151-L179 HydrophobicContact CE-CD1 4.22Å; M151-L179 HydrophobicContact CE-CD2 4.19Å; M151-L179 HydrophobicContact SD-CD1 3.98Å; M151-L179 HydrophobicContact SD-CD2 3.84Å; M151-L179 HydrophobicContact SD-CG 4Å
180	L	98.3	Very high	96.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.3	-178.8	-59.2	166.6	0	0	0	111.2	G18 I19 L135 A138 L139 L142 M151 A152 V154 I178	G18-L180 WeakPolarHBondContact O-CA 3.13Å; G18-L180 WeakPolarHBondContact O-CD2 3.43Å; I19-L180 HydrophobicContact CB-CD2 4.47Å; I19-L180 HydrophobicContact CG1-CD2 3.78Å; L135-L180 HydrophobicContact CD1-CD1 3.99Å; L135-L180 HydrophobicContact CD1-CD2 3.89Å; L135-L180 HydrophobicContact CD1-CG 4.44Å; A138-L180 HydrophobicContact CB-CD1 3.5Å; L139-L180 HydrophobicContact CD2-CD2 4.47Å; L139-L180 HydrophobicContact CG-CD1 4.37Å; L142-L180 HydrophobicContact CD1-CB 3.73Å; M151-L180 WeakPolarHBondContact CA-O 3.35Å; M151-L180 VanDerWaalsContact CB-O 3.31Å; M151-L180 WeakPolarHBondContact CB-O 3.48Å; A152-L180 HydrophobicContact CB-CB 4.26Å; A152-L180 PolarHBondContact N-O 2.81Å; A152-L180 PolarHBondContact O-N 3.29Å; V154-L180 HydrophobicContact CG2-CD1 4.06Å; I178-L180 HydrophobicContact CG2-CD2 4.01Å; I178-L180 HydrophobicContact CG2-CG 4.29Å
181	G	96.4	Very high	96.3	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	-176.3	174.2	0	0	0	0	0	111.9	F17 G18 I20	F17-G181 WeakPolarHBondContact CA-O 3.2Å; G18-G181 PolarHBondContact N-O 3.39Å; G18-G181 VanDerWaalsContact N-O 3.09Å; G18-G181 PolarHBondContact O-N 3.38Å; G18-G181 VanDerWaalsContact O-N 3.11Å; I20-G181 VanDerWaalsContact CD1-CA 3.47Å
182	P	94.8	Very high	96.1	Very high	55 Å²	55	13.9 Å²	13.9	36%	0.357	9%	0.088	S	C	.	.	S	Bend	trans	-72.1	163.2	-178.3	31.4	-35	0	0	0	111.1	F17 A184	F17-P182 HydrophobicContact CD1-CB 4.01Å; F17-P182 HydrophobicContact CE1-CB 3.82Å; F17-P182 HydrophobicContact CE1-CG 4.29Å; P182-A184 PolarHBondContact O-N 2.85Å
183	N	93.4	Very high	96	Very high	97 Å²	97	15.6 Å²	15.6	52%	0.519	9%	0.093	S	C	.	.	S	Bend	trans	56.1	34.6	179	-56.1	-52	0	0	0	113.2	D16 R431	D16-N183 PolarHBondContact O-N 3.45Å; N183-R431 VanDerWaalsContact C-NH1 3.27Å; N183-R431 WeakPolarHBondContact O-CD 3.34Å
184	A	95.6	Very high	95.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.093	C	C	.	.			trans	-69.6	140.1	-175.2	0	0	0	0	0	112.6	D16 G18 I20 P182 L186 V187 R431	D16-A184 PolarHBondContact O-N 3.41Å; D16-A184 VanDerWaalsContact O-N 3.15Å; G18-A184 VanDerWaalsContact CA-CB 3.41Å; G18-A184 WeakPolarHBondContact O-CB 3.38Å; I20-A184 HydrophobicContact CG1-CB 4.22Å; P182-A184 PolarHBondContact O-N 2.85Å; A184-L186 PolarHBondContact O-N 2.86Å; A184-V187 WeakPolarHBondContact O-CG2 3.41Å; A184-R431 WeakPolarHBondContact O-CD 3.35Å; A184-R431 PolarHBondContact O-NH1 2.92Å
185	P	95	Very high	95.9	Very high	8 Å²	8	18.5 Å²	18.5	5%	0.052	11%	0.11	C	C	.	.	S	Bend	trans	-63.5	-29.2	171.8	-20.3	31.7	0	0	0	113.3	I19 H428 R431 D432 L433 V436	I19-P185 WeakPolarHBondContact O-CD 3.4Å; P185-H428 WeakPolarHBondContact O-CB 3.49Å; P185-H428 PolarHBondContact O-N 2.86Å; P185-R431 HydrophobicContact CB-CB 4.06Å; P185-R431 HydrophobicContact CG-CB 4.34Å; P185-D432 WeakPolarHBondContact CB-O 3.27Å; P185-D432 WeakPolarHBondContact CG-O 3.46Å; P185-L433 HydrophobicContact CB-CD2 3.69Å; P185-V436 HydrophobicContact CB-CG2 4Å; P185-V436 HydrophobicContact CG-CG2 4.04Å
186	L	96.8	Very high	95.9	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	93.2	174.4	-84.9	69.5	0	0	0	108.7	G18 I19 A184 L392 L396 I425 L433 V436	G18-L186 CarbonylContact C-O 3.5Å; G18-L186 VanDerWaalsContact CA-O 3.24Å; G18-L186 WeakPolarHBondContact CA-O 3.36Å; I19-L186 HydrophobicContact CB-CB 3.9Å; I19-L186 HydrophobicContact CB-CD2 4.42Å; I19-L186 HydrophobicContact CD1-CD2 4.42Å; I19-L186 PolarHBondContact N-O 2.92Å; I19-L186 PolarHBondContact O-N 3.2Å; A184-L186 PolarHBondContact O-N 2.86Å; L186-L392 HydrophobicContact CD2-CD1 4.24Å; L186-L392 HydrophobicContact CD2-CD2 4.08Å; L186-L392 HydrophobicContact CD2-CG 4.41Å; L186-L396 HydrophobicContact CD2-CD1 3.97Å; L186-L396 HydrophobicContact CD2-CD2 4.38Å; L186-I425 HydrophobicContact CB-CG2 3.67Å; L186-I425 HydrophobicContact CD2-CG2 4.36Å; L186-I425 HydrophobicContact CG-CG2 4.02Å; L186-L433 HydrophobicContact CD1-CD2 3.75Å; L186-V436 HydrophobicContact CD1-CG1 4.28Å; L186-V436 HydrophobicContact CD1-CG2 3.86Å
187	V	96.4	Very high	95.8	Very high	7 Å²	7	26.3 Å²	26.3	4%	0.042	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	134.3	-173.8	-176.8	0	0	0	0	110.5	D16 A184 I425 L426 H428 R431	D16-V187 HydrophobicContact CB-CG1 3.83Å; D16-V187 HydrophobicContact CB-CG2 3.98Å; A184-V187 WeakPolarHBondContact O-CG2 3.41Å; V187-I425 CarbonylContact O-C 3.57Å; V187-I425 VanDerWaalsContact O-CA 3.29Å; V187-I425 WeakPolarHBondContact O-CA 3.46Å; V187-L426 PolarHBondContact N-O 2.86Å; V187-L426 PolarHBondContact O-N 2.84Å; V187-H428 HydrophobicContact CG2-CB 4.25Å; V187-R431 VanDerWaalsContact CG2-NH1 3.25Å
188	I	96.3	Very high	95.8	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.015	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	129.9	173.4	-63.2	-74.4	0	0	0	109.2	F17 L139 F190 Y423 I425	F17-I188 PolarHBondContact O-N 2.84Å; F17-I188 VanDerWaalsContact O-N 3.1Å; L139-I188 HydrophobicContact CD1-CB 4.43Å; L139-I188 HydrophobicContact CD1-CD1 3.99Å; L139-I188 HydrophobicContact CD1-CG1 3.75Å; L139-I188 HydrophobicContact CD1-CG2 4.17Å; L139-I188 HydrophobicContact CD2-CG1 3.88Å; L139-I188 HydrophobicContact CG-CG1 4.49Å; I188-F190 VanDerWaalsContact C-N 3.31Å; I188-F190 HydrophobicContact CB-CE2 4.19Å; I188-F190 HydrophobicContact CB-CZ 4.27Å; I188-F190 HydrophobicContact CG2-CE1 4.42Å; I188-F190 HydrophobicContact CG2-CZ 4.43Å; I188-F190 VanDerWaalsContact O-CD2 3.27Å; I188-F190 WeakPolarHBondContact O-CD2 3.33Å; I188-F190 PolarHBondContact O-N 3.4Å; I188-Y423 HydrophobicContact CD1-CD2 4.4Å; I188-Y423 HydrophobicContact CD1-CE2 4.22Å; I188-I425 HydrophobicContact CD1-CG1 4Å
189	D	92.5	Very high	95.8	Very high	12 Å²	12	37.2 Å²	37.2	6%	0.064	20%	0.196	C	C	.	.			trans	-73.9	87.4	171.9	-76.9	-43.9	0	0	0	109.9	G191 L192 R408 S424	D189-G191 PolarHBondContact O-N 3.12Å; D189-L192 HydrophobicContact CB-CB 4.17Å; D189-L192 HydrophobicContact CB-CD1 3.67Å; D189-L192 HydrophobicContact CB-CG 4.12Å; D189-L192 WeakPolarHBondContact O-CB 3.32Å; D189-L192 PolarHBondContact O-N 3.31Å; D189-L192 VanDerWaalsContact O-N 3.1Å; D189-R408 IonicContact OD1-NE 2.71Å; D189-R408 IonicContact OD1-NH2 3Å; D189-R408 WeakPolarHBondContact OD2-CD 3.46Å; D189-R408 IonicContact OD2-CZ 2.7Å; D189-R408 IonicContact OD2-NE 3.04Å; D189-R408 PolarHBondContact OD2-NE 2.85Å; D189-R408 IonicContact OD2-NH2 2.92Å; D189-S424 VanDerWaalsContact CB-OG 3.25Å; D189-S424 WeakPolarHBondContact CB-OG 3.3Å; D189-S424 PolarHBondContact N-O 2.87Å; D189-S424 WeakPolarHBondContact OD2-CB 3.38Å; D189-S424 PolarHBondContact OD2-OG 2.93Å
190	F	89.7	Confident	95.7	Very high	53 Å²	53	37.7 Å²	37.7	23%	0.232	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	138	179	-74.9	-76	0	0	0	111.6	F17 L139 E143 I188 L192 K242	F17-F190 HydrophobicContact CB-CE2 3.93Å; F17-F190 HydrophobicContact CB-CZ 3.78Å; F17-F190 HydrophobicContact CD2-CZ 4.42Å; L139-F190 HydrophobicContact CD2-CZ 4.2Å; E143-F190 HydrophobicContact CG-CE1 4.06Å; E143-F190 HydrophobicContact CG-CZ 4.29Å; E143-F190 WeakPolarHBondContact OE1-CD1 3.25Å; E143-F190 WeakPolarHBondContact OE1-CE1 3.32Å; E143-F190 WeakPolarHBondContact OE2-CE1 3.42Å; I188-F190 VanDerWaalsContact C-N 3.31Å; I188-F190 HydrophobicContact CB-CE2 4.19Å; I188-F190 HydrophobicContact CB-CZ 4.27Å; I188-F190 HydrophobicContact CG2-CE1 4.42Å; I188-F190 HydrophobicContact CG2-CZ 4.43Å; I188-F190 VanDerWaalsContact O-CD2 3.27Å; I188-F190 WeakPolarHBondContact O-CD2 3.33Å; I188-F190 PolarHBondContact O-N 3.4Å; F190-L192 VanDerWaalsContact C-N 3.33Å; F190-K242 WeakPolarHBondContact O-CE 3.45Å; F190-K242 PolarHBondContact O-NZ 2.86Å
191	G	89.7	Confident	95.7	Very high	48 Å²	48	44.4 Å²	44.4	50%	0.495	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	-6.4	-175	0	0	0	0	0	115.8	D189	D189-G191 PolarHBondContact O-N 3.12Å
192	L	93.4	Very high	95.7	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.226	C	C	.	.			trans	-100.3	20.6	176.6	-61.7	-175.5	0	0	0	114.2	D189 F190 A194 Y235 K238 K242 L244 Y423	D189-L192 HydrophobicContact CB-CB 4.17Å; D189-L192 HydrophobicContact CB-CD1 3.67Å; D189-L192 HydrophobicContact CB-CG 4.12Å; D189-L192 WeakPolarHBondContact O-CB 3.32Å; D189-L192 PolarHBondContact O-N 3.31Å; D189-L192 VanDerWaalsContact O-N 3.1Å; F190-L192 VanDerWaalsContact C-N 3.33Å; L192-A194 PolarHBondContact O-N 2.91Å; L192-Y235 HydrophobicContact CB-CD2 4.37Å; L192-Y235 HydrophobicContact CB-CE2 3.88Å; L192-Y235 HydrophobicContact CD1-CE2 4.33Å; L192-Y235 WeakPolarHBondContact O-CD2 3.5Å; L192-K238 HydrophobicContact CD2-CB 3.93Å; L192-K238 WeakPolarHBondContact CD2-O 3.41Å; L192-K242 HydrophobicContact CD2-CD 3.84Å; L192-K242 HydrophobicContact CD2-CG 4.38Å; L192-K242 HydrophobicContact CG-CD 4.18Å; L192-L244 HydrophobicContact CD1-CD1 3.48Å; L192-L244 VanDerWaalsContact CD1-CD1 3.48Å; L192-Y423 WeakPolarHBondContact O-CA 3.34Å
193	R	95.2	Very high	95.8	Very high	40 Å²	40	42.7 Å²	42.7	15%	0.151	21%	0.213	C	C	.	.			trans	-80.3	106.4	173.4	-60.7	-175.7	-166.7	160.9	11.3	110.3	F136 N140 K238	F136-R193 HydrophobicContact CE1-CG 4.12Å; F136-R193 HydrophobicContact CZ-CG 4.18Å; N140-R193 PolarHBondContact OD1-NH1 2.98Å; R193-K238 PolarHBondContact O-NZ 3.47Å
194	A	97.7	Very high	96	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.4	172.6	0	0	0	0	0	109.9	L192 C231 L234 A421 M422	L192-A194 PolarHBondContact O-N 2.91Å; A194-C231 WeakPolarHBondContact CB-O 3.36Å; A194-L234 HydrophobicContact CB-CB 3.68Å; A194-A421 CarbonylContact O-C 3.51Å; A194-A421 WeakPolarHBondContact O-CA 3.24Å; A194-A421 WeakPolarHBondContact O-CB 3.44Å; A194-M422 PolarHBondContact N-O 2.95Å; A194-M422 PolarHBondContact O-N 3.46Å
195	V	98.2	Very high	96.1	Very high	61 Å²	61	44.4 Å²	44.4	37%	0.37	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139.1	-173	178.9	0	0	0	0	109.3	M197 L234 A420 A421	V195-M197 HydrophobicContact CG1-CE 3.8Å; V195-M197 HydrophobicContact CG1-CG 4.03Å; V195-L234 WeakPolarHBondContact O-CD1 3.28Å; V195-A420 WeakPolarHBondContact CA-O 3.37Å; V195-A421 HydrophobicContact CG2-CB 4.05Å
196	Y	98.6	Very high	96.1	Very high	43 Å²	43	47.2 Å²	47.2	17%	0.169	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	124	173.3	-176.6	-102.5	0	0	0	109.2	K198 E226 A227 M230 C231 M418 A420	Y196-K198 HydrophobicContact CE1-CB 4.13Å; Y196-K198 HydrophobicContact CE1-CD 4.47Å; Y196-E226 HydrophobicContact CE1-CG 4.34Å; Y196-E226 PolarHBondContact OH-OE1 3.08Å; Y196-A227 HydrophobicContact CD1-CB 3.96Å; Y196-M230 HydrophobicContact CD1-CB 4.16Å; Y196-M230 HydrophobicContact CD2-CB 3.62Å; Y196-M230 HydrophobicContact CD2-CE 4.42Å; Y196-M230 HydrophobicContact CD2-CG 4.05Å; Y196-M230 HydrophobicContact CE1-CB 4.44Å; Y196-M230 HydrophobicContact CE1-CG 4.38Å; Y196-M230 HydrophobicContact CE2-CB 3.94Å; Y196-M230 HydrophobicContact CE2-CE 4.14Å; Y196-M230 HydrophobicContact CE2-CG 3.82Å; Y196-M230 HydrophobicContact CG-CB 3.73Å; Y196-M230 HydrophobicContact CG-CG 4.43Å; Y196-C231 VanDerWaalsContact CB-SG 3.59Å; Y196-M418 HydrophobicContact CD1-CE 4.41Å; Y196-A420 PolarHBondContact N-O 3.47Å; Y196-A420 PolarHBondContact O-N 3.35Å
197	M	98.7	Very high	96	Very high	121 Å²	121	51.5 Å²	51.5	60%	0.596	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.9	178.4	-59.7	-173	178.9	0	0	109.2	F129 V195 M418 A419	F129-M197 HydrophobicContact CE1-CE 4.24Å; V195-M197 HydrophobicContact CG1-CE 3.8Å; V195-M197 HydrophobicContact CG1-CG 4.03Å; M197-M418 WeakPolarHBondContact CA-O 3.08Å; M197-A419 HydrophobicContact CE-CB 4.16Å; M197-A419 HydrophobicContact CG-CB 4Å; M197-A419 HydrophobicContact SD-CB 4.35Å
198	K	97.9	Very high	95.8	Very high	90 Å²	90	57 Å²	57	39%	0.391	28%	0.284	S	S	.	.			trans	-152.8	138.4	-177.8	180	178.9	176.4	-175.6	0	109.1	Y196 C200 E226 G417 M418	Y196-K198 HydrophobicContact CE1-CB 4.13Å; Y196-K198 HydrophobicContact CE1-CD 4.47Å; K198-C200 PolarHBondContact O-N 2.87Å; K198-E226 IonicContact NZ-OE1 3.56Å; K198-E226 PolarHBondContact NZ-OE1 3.15Å; K198-E226 IonicContact NZ-OE2 2.68Å; K198-E226 PolarHBondContact NZ-OE2 2.91Å; K198-G417 CarbonylContact O-C 3.45Å; K198-G417 VanDerWaalsContact O-O 3.09Å; K198-M418 HydrophobicContact CB-CG 4.34Å; K198-M418 PolarHBondContact N-O 3.22Å; K198-M418 PolarHBondContact O-N 3.27Å
199	H	98.5	Very high	95.6	Very high	139 Å²	139	61.2 Å²	61.2	64%	0.644	31%	0.313	S	S	*	.			trans	-69	124.2	172.6	175.4	48.8	0	0	0	111	Y201 G417	H199-Y201 AromaticContact CE1-CE2 3.39Å; H199-Y201 WeakPolarHBondContact CE1-CE2 3.15Å; H199-Y201 AromaticContact CE1-CZ 3.72Å; H199-Y201 AromaticContact NE2-CE2 3.54Å; H199-G417 CarbonylContact C-O 3.53Å
200	C	96.5	Very high	95.6	Very high	12 Å²	12	62.2 Å²	62.2	8%	0.081	32%	0.321	C	S	.	.			trans	-154.3	169.4	171.9	62.9	0	0	0	0	112	K198 D202 F219 G417 M418	K198-C200 PolarHBondContact O-N 2.87Å; C200-D202 PolarHBondContact SG-OD1 2.72Å; C200-F219 HydrophobicContact CB-CE1 4.09Å; C200-F219 HydrophobicContact CB-CZ 3.99Å; C200-G417 PolarHBondContact N-O 2.99Å; C200-G417 VanDerWaalsContact O-O 3.13Å; C200-M418 VanDerWaalsContact SG-CB 3.57Å; C200-M418 VanDerWaalsContact SG-CG 3.58Å; C200-M418 PolarHBondContact SG-N 2.96Å
201	Y	97.9	Very high	95.8	Very high	142 Å²	142	61.3 Å²	61.3	56%	0.557	32%	0.318	S	S	*	.			trans	-122	48.1	177.9	-75.1	-74.1	0	0	0	111.2	H199 Y204	H199-Y201 AromaticContact CE1-CE2 3.39Å; H199-Y201 WeakPolarHBondContact CE1-CE2 3.15Å; H199-Y201 AromaticContact CE1-CZ 3.72Å; H199-Y201 AromaticContact NE2-CE2 3.54Å; Y201-Y204 AromaticContact CD1-CD1 3.82Å; Y201-Y204 HydrophobicContact CD1-CD1 3.82Å; Y201-Y204 AromaticContact CD1-CD2 3.97Å; Y201-Y204 HydrophobicContact CD1-CD2 3.97Å; Y201-Y204 AromaticContact CD1-CE1 3.83Å; Y201-Y204 HydrophobicContact CD1-CE1 3.83Å; Y201-Y204 AromaticContact CD1-CE2 3.95Å; Y201-Y204 HydrophobicContact CD1-CE2 3.95Å; Y201-Y204 AromaticContact CD1-CG 3.93Å; Y201-Y204 HydrophobicContact CD1-CG 3.93Å; Y201-Y204 AromaticContact CD1-CZ 3.9Å; Y201-Y204 HydrophobicContact CE1-CD2 4.33Å; Y201-Y204 HydrophobicContact CE1-CE2 4.36Å; Y201-Y204 HydrophobicContact CG-CD1 4.48Å; Y201-Y204 HydrophobicContact CG-CE1 4.28Å
202	D	97.4	Very high	95.9	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-76.8	-39.3	-179.7	68.1	-49.6	0	0	0	113.1	C200 D216 F219 C223 Y414 S416 G417	C200-D202 PolarHBondContact SG-OD1 2.72Å; D202-D216 PolarHBondContact O-N 2.82Å; D202-F219 HydrophobicContact CB-CD1 3.79Å; D202-F219 HydrophobicContact CB-CE1 4.13Å; D202-F219 HydrophobicContact CB-CG 4.3Å; D202-C223 HydrophobicContact CB-CB 4.18Å; D202-Y414 PolarHBondContact OD2-OH 2.94Å; D202-S416 WeakPolarHBondContact OD1-CA 3.5Å; D202-S416 VanDerWaalsContact OD1-CB 3.26Å; D202-S416 WeakPolarHBondContact OD1-CB 3.37Å; D202-S416 WeakPolarHBondContact OD2-CB 3.34Å; D202-S416 PolarHBondContact OD2-OG 3.2Å; D202-G417 PolarHBondContact OD1-N 2.87Å
203	F	97.2	Very high	96	Very high	19 Å²	19	62.2 Å²	62.2	8%	0.083	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	130.7	171.3	167.1	-70.9	0	0	0	109.2	Y162 P213 I214 V215 Y384 S416	Y162-F203 AromaticContact CE1-CE2 3.8Å; Y162-F203 HydrophobicContact CE1-CE2 3.8Å; F203-P213 HydrophobicContact CD1-CB 4.39Å; F203-P213 HydrophobicContact CD2-CB 3.82Å; F203-P213 HydrophobicContact CD2-CG 4.02Å; F203-P213 HydrophobicContact CE1-CB 3.91Å; F203-P213 HydrophobicContact CE2-CB 3.31Å; F203-P213 HydrophobicContact CE2-CG 3.23Å; F203-P213 HydrophobicContact CG-CB 4.33Å; F203-P213 HydrophobicContact CZ-CB 3.34Å; F203-P213 HydrophobicContact CZ-CG 3.55Å; F203-I214 WeakPolarHBondContact CA-O 3.38Å; F203-V215 HydrophobicContact CB-CG2 4.45Å; F203-V215 HydrophobicContact CD2-CB 3.96Å; F203-V215 HydrophobicContact CD2-CG2 3.99Å; F203-Y384 HydrophobicContact CZ-CE1 4.41Å; F203-S416 WeakPolarHBondContact O-CB 3.46Å
204	Y	97.3	Very high	96	Very high	82 Å²	82	64.4 Å²	64.4	32%	0.322	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	157.2	-177.5	58.6	-72.4	0	0	0	111.5	Y201 P206 P213 I214	Y201-Y204 AromaticContact CD1-CD1 3.82Å; Y201-Y204 HydrophobicContact CD1-CD1 3.82Å; Y201-Y204 AromaticContact CD1-CD2 3.97Å; Y201-Y204 HydrophobicContact CD1-CD2 3.97Å; Y201-Y204 AromaticContact CD1-CE1 3.83Å; Y201-Y204 HydrophobicContact CD1-CE1 3.83Å; Y201-Y204 AromaticContact CD1-CE2 3.95Å; Y201-Y204 HydrophobicContact CD1-CE2 3.95Å; Y201-Y204 AromaticContact CD1-CG 3.93Å; Y201-Y204 HydrophobicContact CD1-CG 3.93Å; Y201-Y204 AromaticContact CD1-CZ 3.9Å; Y201-Y204 HydrophobicContact CE1-CD2 4.33Å; Y201-Y204 HydrophobicContact CE1-CE2 4.36Å; Y201-Y204 HydrophobicContact CG-CD1 4.48Å; Y201-Y204 HydrophobicContact CG-CE1 4.28Å; Y204-P206 VanDerWaalsContact C-CD 3.48Å; Y204-P206 HydrophobicContact CD2-CB 3.97Å; Y204-P206 HydrophobicContact CD2-CG 3.68Å; Y204-P206 HydrophobicContact CE2-CB 4.09Å; Y204-P206 HydrophobicContact CE2-CG 3.63Å; Y204-P206 VanDerWaalsContact O-CD 3.24Å; Y204-P206 WeakPolarHBondContact O-CD 3.49Å; Y204-P213 WeakPolarHBondContact O-CA 3.2Å; Y204-I214 HydrophobicContact CE1-CB 4.12Å; Y204-I214 HydrophobicContact CE1-CG2 3.93Å; Y204-I214 HydrophobicContact CE2-CB 4.4Å; Y204-I214 HydrophobicContact CE2-CD1 4.24Å; Y204-I214 PolarHBondContact N-O 3.11Å; Y204-I214 PolarHBondContact O-N 3.14Å
205	K	96.6	Very high	95.8	Very high	50 Å²	50	67 Å²	67	22%	0.217	34%	0.338	C	S	.	.			trans	-116.4	76.3	-178.4	-69.3	173.6	173	164.5	0	110.6	E94 P213	E94-K205 WeakPolarHBondContact OE2-CE 3.42Å; E94-K205 IonicContact OE2-NZ 2.72Å; E94-K205 PolarHBondContact OE2-NZ 2.89Å; K205-P213 HydrophobicContact CG-CB 3.86Å
206	P	96.4	Very high	95.5	Very high	68 Å²	68	68 Å²	68	44%	0.442	34%	0.342	S	S	.	.			trans	-81.6	-25.1	-175.5	33.7	-35.5	0	0	0	112.8	Y204 L208 I214	Y204-P206 VanDerWaalsContact C-CD 3.48Å; Y204-P206 HydrophobicContact CD2-CB 3.97Å; Y204-P206 HydrophobicContact CD2-CG 3.68Å; Y204-P206 HydrophobicContact CE2-CB 4.09Å; Y204-P206 HydrophobicContact CE2-CG 3.63Å; Y204-P206 VanDerWaalsContact O-CD 3.24Å; Y204-P206 WeakPolarHBondContact O-CD 3.49Å; P206-L208 PolarHBondContact O-N 3.35Å; P206-I214 HydrophobicContact CG-CD1 3.5Å; P206-I214 VanDerWaalsContact CG-CD1 3.5Å; P206-I214 HydrophobicContact CG-CG1 3.95Å
207	N	94.7	Very high	95.1	Very high	90 Å²	90	67.9 Å²	67.9	48%	0.481	35%	0.354	S	S	.	.			trans	-84.6	99.6	178.3	-177.2	-0.9	0	0	0	109.9	S209 S210	N207-S209 PolarHBondContact O-N 3.46Å; N207-S209 VanDerWaalsContact O-N 3.17Å; N207-S209 PolarHBondContact OD1-N 3.04Å; N207-S209 VanDerWaalsContact OD1-N 3.07Å; N207-S210 PolarHBondContact O-N 3.42Å; N207-S210 VanDerWaalsContact O-O 3.08Å
208	L	92.4	Very high	94.8	Very high	122 Å²	122	67.5 Å²	67.5	64%	0.639	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.7	-177.9	-56.5	-178.8	0	0	0	114.1	K99 P206	K99-L208 HydrophobicContact CD-CD1 4.18Å; P206-L208 PolarHBondContact O-N 3.35Å
209	S	92.1	Very high	94.7	Very high	92 Å²	92	66.6 Å²	66.6	64%	0.643	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	4.1	177.4	-55.6	0	0	0	0	112.9	N207 H477	N207-S209 PolarHBondContact O-N 3.46Å; N207-S209 VanDerWaalsContact O-N 3.17Å; N207-S209 PolarHBondContact OD1-N 3.04Å; N207-S209 VanDerWaalsContact OD1-N 3.07Å; S209-H477 PolarHBondContact O-CD2 3.11Å
210	S	92.7	Very high	94.5	Very high	33 Å²	33	61.1 Å²	61.1	23%	0.231	32%	0.324	C	S	.	.			trans	-133.9	139.7	-176.8	168.2	0	0	0	0	110.5	N207 Y212	N207-S210 PolarHBondContact O-N 3.42Å; N207-S210 VanDerWaalsContact O-O 3.08Å; S210-Y212 PolarHBondContact O-N 2.77Å; S210-Y212 PolarHBondContact OG-N 3.16Å
211	E	92.1	Very high	94.4	Very high	35 Å²	35	63.7 Å²	63.7	16%	0.164	34%	0.336	C	S	.	.	S	Bend	trans	-72	-23.1	170.8	-61.6	-164.6	172.8	0	0	112.5	V161 R473 H477	V161-E211 HydrophobicContact CG2-CB 3.7Å; V161-E211 WeakPolarHBondContact CG2-OE2 3.38Å; E211-R473 IonicContact OE1-CZ 2.76Å; E211-R473 IonicContact OE1-NE 2.81Å; E211-R473 IonicContact OE1-NH2 3.93Å; E211-R473 PolarHBondContact OE1-NH2 2.81Å; E211-R473 IonicContact OE2-CZ 3.01Å; E211-R473 VanDerWaalsContact OE2-CZ 3.26Å; E211-R473 IonicContact OE2-NE 3.71Å; E211-R473 PolarHBondContact OE2-NE 3.01Å; E211-R473 IonicContact OE2-NH2 3.81Å; E211-R473 PolarHBondContact OE2-NH2 2.85Å; E211-H477 WeakPolarHBondContact CG-CE1 3.26Å; E211-H477 WeakPolarHBondContact CG-ND1 3.32Å; E211-H477 IonicContact OE1-CE1 3.69Å; E211-H477 IonicContact OE1-CG 2.87Å; E211-H477 IonicContact OE1-ND1 3.62Å; E211-H477 PolarHBondContact OE1-ND1 3.11Å
212	Y	93.7	Very high	94.3	Very high	49 Å²	49	61.2 Å²	61.2	19%	0.192	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-75.7	136	-172.3	-52.6	-38.8	0	0	0	112.7	V161 G163 S210 Q474	V161-Y212 HydrophobicContact CB-CD1 4.48Å; V161-Y212 HydrophobicContact CB-CE1 4.22Å; V161-Y212 HydrophobicContact CG2-CD1 4.23Å; V161-Y212 HydrophobicContact CG2-CE1 4.2Å; G163-Y212 VanDerWaalsContact N-CG 3.32Å; S210-Y212 PolarHBondContact O-N 2.77Å; S210-Y212 PolarHBondContact OG-N 3.16Å; Y212-Q474 HydrophobicContact CE2-CG 4.24Å; Y212-Q474 PolarHBondContact OH-OE1 3.37Å
213	P	95.4	Very high	94.3	Very high	19 Å²	19	61.3 Å²	61.3	12%	0.123	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-78.6	159.9	174.3	33.9	-35	0	0	0	112	Y162 F203 Y204 K205	Y162-P213 HydrophobicContact CD1-CG 3.8Å; Y162-P213 HydrophobicContact CE1-CG 3.85Å; F203-P213 HydrophobicContact CD1-CB 4.39Å; F203-P213 HydrophobicContact CD2-CB 3.82Å; F203-P213 HydrophobicContact CD2-CG 4.02Å; F203-P213 HydrophobicContact CE1-CB 3.91Å; F203-P213 HydrophobicContact CE2-CB 3.31Å; F203-P213 HydrophobicContact CE2-CG 3.23Å; F203-P213 HydrophobicContact CG-CB 4.33Å; F203-P213 HydrophobicContact CZ-CB 3.34Å; F203-P213 HydrophobicContact CZ-CG 3.55Å; Y204-P213 WeakPolarHBondContact O-CA 3.2Å; K205-P213 HydrophobicContact CG-CB 3.86Å
214	I	94.5	Very high	94.3	Very high	85 Å²	85	60.6 Å²	60.6	44%	0.436	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	129.2	154.3	-58.6	-173	0	0	0	106.8	F203 Y204 P206	F203-I214 WeakPolarHBondContact CA-O 3.38Å; Y204-I214 HydrophobicContact CE1-CB 4.12Å; Y204-I214 HydrophobicContact CE1-CG2 3.93Å; Y204-I214 HydrophobicContact CE2-CB 4.4Å; Y204-I214 HydrophobicContact CE2-CD1 4.24Å; Y204-I214 PolarHBondContact N-O 3.11Å; Y204-I214 PolarHBondContact O-N 3.14Å; P206-I214 HydrophobicContact CG-CD1 3.5Å; P206-I214 VanDerWaalsContact CG-CD1 3.5Å; P206-I214 HydrophobicContact CG-CG1 3.95Å
215	V	92.9	Very high	94.3	Very high	54 Å²	54	58.8 Å²	58.8	33%	0.327	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	130.3	-176.8	59.2	0	0	0	0	110.7	F203	F203-V215 HydrophobicContact CB-CG2 4.45Å; F203-V215 HydrophobicContact CD2-CB 3.96Å; F203-V215 HydrophobicContact CD2-CG2 3.99Å
216	D	92.8	Very high	94.3	Very high	82 Å²	82	59.3 Å²	59.3	44%	0.439	32%	0.323	S	S	.	.			trans	-99.8	102.1	160.5	-177.3	-27.8	0	0	0	107.7	D202 H218 F219 S220	D202-D216 PolarHBondContact O-N 2.82Å; D216-H218 VanDerWaalsContact C-N 3.27Å; D216-H218 PolarHBondContact O-N 3.11Å; D216-H218 PolarHBondContact OD1-N 3.44Å; D216-H218 VanDerWaalsContact OD1-N 3.07Å; D216-F219 HydrophobicContact CB-CB 3.84Å; D216-F219 PolarHBondContact O-N 2.81Å; D216-F219 PolarHBondContact OD1-N 3.13Å; D216-S220 VanDerWaalsContact O-CB 3.3Å; D216-S220 WeakPolarHBondContact O-CB 3.42Å; D216-S220 PolarHBondContact O-N 2.84Å; D216-S220 PolarHBondContact O-OG 3.21Å
217	G	90.4	Very high	94.4	Very high	41 Å²	41	56.1 Å²	56.1	42%	0.423	30%	0.302	S	S	.	.	H	α-helix	trans	-61.6	-33.1	-175.2	0	0	0	0	0	113.5	S220 M221	G217-S220 WeakPolarHBondContact CA-OG 3.41Å; G217-S220 PolarHBondContact O-OG 3.23Å; G217-M221 WeakPolarHBondContact O-CE 3.29Å; G217-M221 WeakPolarHBondContact O-CG 3.3Å
218	H	91.4	Very high	94.6	Very high	113 Å²	113	51.8 Å²	51.8	52%	0.523	28%	0.279	S	S	.	.	H	α-helix	trans	-77.7	-46.3	179	-172.1	-88.3	0	0	0	110.6	D216 S220 M221 Q222	D216-H218 VanDerWaalsContact C-N 3.27Å; D216-H218 PolarHBondContact O-N 3.11Å; D216-H218 PolarHBondContact OD1-N 3.44Å; D216-H218 VanDerWaalsContact OD1-N 3.07Å; H218-S220 PolarHBondContact O-N 3.47Å; H218-M221 PolarHBondContact O-N 2.98Å; H218-Q222 PolarHBondContact CE1-NE2 2.94Å; H218-Q222 PolarHBondContact O-N 3.02Å
219	F	95.3	Very high	94.8	Very high	71 Å²	71	47.4 Å²	47.4	31%	0.311	26%	0.255	S	S	.	.	H	α-helix	trans	-66.4	-36.1	-179.8	-173.4	-140.5	0	0	0	112.4	C200 D202 D216 M221 Q222 C223	C200-F219 HydrophobicContact CB-CE1 4.09Å; C200-F219 HydrophobicContact CB-CZ 3.99Å; D202-F219 HydrophobicContact CB-CD1 3.79Å; D202-F219 HydrophobicContact CB-CE1 4.13Å; D202-F219 HydrophobicContact CB-CG 4.3Å; D216-F219 HydrophobicContact CB-CB 3.84Å; D216-F219 PolarHBondContact O-N 2.81Å; D216-F219 PolarHBondContact OD1-N 3.13Å; F219-M221 PolarHBondContact O-N 2.82Å; F219-Q222 HydrophobicContact CD2-CB 4.49Å; F219-Q222 WeakPolarHBondContact O-CB 3.26Å; F219-Q222 PolarHBondContact O-N 3.19Å; F219-Q222 VanDerWaalsContact O-N 3.11Å; F219-C223 WeakPolarHBondContact CE2-SG 3.37Å; F219-C223 VanDerWaalsContact CZ-SG 3.6Å; F219-C223 PolarHBondContact O-N 3.17Å
220	S	95.4	Very high	95	Very high	25 Å²	25	46.1 Å²	46.1	18%	0.175	24%	0.24	C	C	.	.	H	α-helix	trans	-62	-37.7	174	56.4	0	0	0	0	113.7	D216 G217 H218 Q222 Y224	D216-S220 VanDerWaalsContact O-CB 3.3Å; D216-S220 WeakPolarHBondContact O-CB 3.42Å; D216-S220 PolarHBondContact O-N 2.84Å; D216-S220 PolarHBondContact O-OG 3.21Å; G217-S220 WeakPolarHBondContact CA-OG 3.41Å; G217-S220 PolarHBondContact O-OG 3.23Å; H218-S220 PolarHBondContact O-N 3.47Å; S220-Q222 VanDerWaalsContact C-N 3.35Å; S220-Y224 WeakPolarHBondContact O-CB 3.39Å; S220-Y224 PolarHBondContact O-N 3.35Å
221	M	93.8	Very high	95.3	Very high	66 Å²	66	44.6 Å²	44.6	33%	0.325	23%	0.229	S	C	.	.	H	α-helix	trans	-66	-38.2	172.1	-70.9	-172.8	-69.2	0	0	112.1	G217 H218 F219 R225	G217-M221 WeakPolarHBondContact O-CE 3.29Å; G217-M221 WeakPolarHBondContact O-CG 3.3Å; H218-M221 PolarHBondContact O-N 2.98Å; F219-M221 PolarHBondContact O-N 2.82Å; M221-R225 WeakPolarHBondContact O-CB 3.07Å; M221-R225 PolarHBondContact O-N 2.93Å
222	Q	95.3	Very high	95.5	Very high	90 Å²	90	42.9 Å²	42.9	42%	0.421	22%	0.221	S	C	.	.	H	α-helix	trans	-65.4	-46.6	176.4	-68.8	178.8	-34	0	0	111.7	H218 F219 S220 R225 E226	H218-Q222 PolarHBondContact CE1-NE2 2.94Å; H218-Q222 PolarHBondContact O-N 3.02Å; F219-Q222 HydrophobicContact CD2-CB 4.49Å; F219-Q222 WeakPolarHBondContact O-CB 3.26Å; F219-Q222 PolarHBondContact O-N 3.19Å; F219-Q222 VanDerWaalsContact O-N 3.11Å; S220-Q222 VanDerWaalsContact C-N 3.35Å; Q222-R225 PolarHBondContact O-N 3.35Å; Q222-E226 WeakPolarHBondContact O-CB 3.45Å; Q222-E226 PolarHBondContact O-N 2.82Å
223	C	97.7	Very high	95.5	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.014	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-43.3	176.6	-71.4	0	0	0	0	112.1	D202 F219 R225 E226 A227 Y414 M418	D202-C223 HydrophobicContact CB-CB 4.18Å; F219-C223 WeakPolarHBondContact CE2-SG 3.37Å; F219-C223 VanDerWaalsContact CZ-SG 3.6Å; F219-C223 PolarHBondContact O-N 3.17Å; C223-R225 VanDerWaalsContact C-N 3.35Å; C223-R225 PolarHBondContact O-N 3.16Å; C223-E226 PolarHBondContact O-N 3.28Å; C223-A227 VanDerWaalsContact O-CB 3.32Å; C223-A227 WeakPolarHBondContact O-CB 3.31Å; C223-A227 PolarHBondContact O-N 2.75Å; C223-Y414 WeakPolarHBondContact CB-OH 3.34Å; C223-M418 HydrophobicContact CB-SD 4.1Å
224	Y	98.2	Very high	95.6	Very high	4 Å²	4	47 Å²	47	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-57	-48.6	174.3	-176.1	-76.5	0	0	0	111.4	S220 L228 H269 L275 A279 W282 Y412 Y414	S220-Y224 WeakPolarHBondContact O-CB 3.39Å; S220-Y224 PolarHBondContact O-N 3.35Å; Y224-L228 HydrophobicContact CE1-CD2 4.48Å; Y224-L228 VanDerWaalsContact O-CB 3.29Å; Y224-L228 WeakPolarHBondContact O-CB 3.46Å; Y224-L228 PolarHBondContact O-N 3.1Å; Y224-H269 PolarHBondContact OH-O 2.87Å; Y224-H269 VanDerWaalsContact OH-O 3.1Å; Y224-L275 HydrophobicContact CD1-CD1 4.01Å; Y224-L275 HydrophobicContact CD1-CD2 4.17Å; Y224-L275 HydrophobicContact CD1-CG 4.21Å; Y224-L275 HydrophobicContact CD2-CD2 3.91Å; Y224-L275 HydrophobicContact CE1-CD1 4.22Å; Y224-L275 HydrophobicContact CE1-CD2 4.25Å; Y224-L275 HydrophobicContact CE1-CG 4.06Å; Y224-L275 HydrophobicContact CE2-CD2 3.98Å; Y224-L275 HydrophobicContact CG-CD1 4.49Å; Y224-L275 HydrophobicContact CG-CD2 4.01Å; Y224-A279 HydrophobicContact CE1-CB 4.1Å; Y224-W282 HydrophobicContact CD1-CZ3 4.04Å; Y224-W282 HydrophobicContact CE1-CZ3 4.4Å; Y224-Y412 HydrophobicContact CD2-CE1 4.44Å; Y224-Y412 AromaticContact CE1-CE1 3.92Å; Y224-Y412 HydrophobicContact CE1-CE1 3.92Å; Y224-Y412 AromaticContact CE2-CE1 3.79Å; Y224-Y412 HydrophobicContact CE2-CE1 3.79Å; Y224-Y412 AromaticContact CZ-CE1 3.49Å; Y224-Y412 VanDerWaalsContact CZ-CE1 3.49Å; Y224-Y412 PolarHBondContact O-OH 2.73Å; Y224-Y414 VanDerWaalsContact CA-CE2 3.4Å; Y224-Y414 AromaticContact CD2-CD1 3.61Å; Y224-Y414 HydrophobicContact CD2-CD1 3.61Å; Y224-Y414 HydrophobicContact CD2-CD2 4.04Å; Y224-Y414 HydrophobicContact CD2-CE1 4.12Å; Y224-Y414 HydrophobicContact CD2-CE2 4.49Å; Y224-Y414 AromaticContact CD2-CG 3.57Å; Y224-Y414 HydrophobicContact CD2-CG 3.57Å; Y224-Y414 HydrophobicContact CE2-CD1 4.32Å; Y224-Y414 HydrophobicContact CE2-CG 4.09Å; Y224-Y414 HydrophobicContact CG-CD2 4.44Å; Y224-Y414 HydrophobicContact CG-CG 4.39Å; Y224-Y414 PolarHBondContact N-OH 3.45Å
225	R	96.7	Very high	95.6	Very high	43 Å²	43	43 Å²	43	16%	0.162	22%	0.22	C	C	.	.	H	α-helix	trans	-61.4	-52.6	177.5	179.7	177.6	173.8	-177.7	2.3	111.5	M221 Q222 C223 A227 L228 E229 W282 D351	M221-R225 WeakPolarHBondContact O-CB 3.07Å; M221-R225 PolarHBondContact O-N 2.93Å; Q222-R225 PolarHBondContact O-N 3.35Å; C223-R225 VanDerWaalsContact C-N 3.35Å; C223-R225 PolarHBondContact O-N 3.16Å; R225-A227 VanDerWaalsContact C-N 3.26Å; R225-A227 PolarHBondContact O-N 2.95Å; R225-L228 WeakPolarHBondContact O-CB 3.32Å; R225-L228 PolarHBondContact O-N 3.02Å; R225-E229 HydrophobicContact CG-CG 4.24Å; R225-E229 WeakPolarHBondContact CG-OE1 3.41Å; R225-E229 IonicContact CZ-OE1 2.73Å; R225-E229 IonicContact NE-OE1 3.11Å; R225-E229 PolarHBondContact NE-OE1 3.23Å; R225-E229 IonicContact NH2-OE1 3.99Å; R225-E229 VanDerWaalsContact O-CG 3.3Å; R225-E229 WeakPolarHBondContact O-CG 3.26Å; R225-E229 PolarHBondContact O-N 2.96Å; R225-W282 HydrophobicContact CB-CD2 4.38Å; R225-W282 HydrophobicContact CB-CE3 3.82Å; R225-W282 HydrophobicContact CB-CH2 4.1Å; R225-W282 HydrophobicContact CB-CZ3 3.69Å; R225-W282 HydrophobicContact CG-CD2 3.84Å; R225-W282 HydrophobicContact CG-CE3 3.69Å; R225-W282 HydrophobicContact CG-CG 4.32Å; R225-W282 HydrophobicContact CG-CZ3 4.09Å; R225-D351 IonicContact NH1-OD1 2.92Å; R225-D351 PolarHBondContact NH1-OD1 2.94Å
226	E	96.9	Very high	95.6	Very high	62 Å²	62	41.6 Å²	41.6	29%	0.29	21%	0.209	S	C	.	.	H	α-helix	trans	-51.5	-48.8	179.8	179.2	179.3	-173.5	0	0	110.9	Y196 K198 Q222 C223 E229 M230	Y196-E226 HydrophobicContact CE1-CG 4.34Å; Y196-E226 PolarHBondContact OH-OE1 3.08Å; K198-E226 IonicContact NZ-OE1 3.56Å; K198-E226 PolarHBondContact NZ-OE1 3.15Å; K198-E226 IonicContact NZ-OE2 2.68Å; K198-E226 PolarHBondContact NZ-OE2 2.91Å; Q222-E226 WeakPolarHBondContact O-CB 3.45Å; Q222-E226 PolarHBondContact O-N 2.82Å; C223-E226 PolarHBondContact O-N 3.28Å; E226-E229 PolarHBondContact O-N 2.95Å; E226-M230 WeakPolarHBondContact O-CB 3.44Å; E226-M230 VanDerWaalsContact O-CG 3.29Å; E226-M230 WeakPolarHBondContact O-CG 3.25Å; E226-M230 PolarHBondContact O-N 3.22Å
227	A	98.4	Very high	95.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-69.1	-38.3	-178.4	0	0	0	0	0	114.2	Y196 C223 R225 E229 M230 C231 Y414 M418 A420	Y196-A227 HydrophobicContact CD1-CB 3.96Å; C223-A227 VanDerWaalsContact O-CB 3.32Å; C223-A227 WeakPolarHBondContact O-CB 3.31Å; C223-A227 PolarHBondContact O-N 2.75Å; R225-A227 VanDerWaalsContact C-N 3.26Å; R225-A227 PolarHBondContact O-N 2.95Å; A227-E229 VanDerWaalsContact C-N 3.33Å; A227-M230 PolarHBondContact O-N 2.92Å; A227-C231 VanDerWaalsContact O-CB 3.24Å; A227-C231 WeakPolarHBondContact O-CB 3.37Å; A227-C231 PolarHBondContact O-N 3.01Å; A227-C231 PolarHBondContact O-SG 3.48Å; A227-Y414 HydrophobicContact CB-CD2 4.07Å; A227-Y414 HydrophobicContact CB-CE2 4.07Å; A227-M418 HydrophobicContact CB-CE 3.06Å; A227-M418 HydrophobicContact CB-SD 3.61Å; A227-A420 HydrophobicContact CB-CB 3.82Å
228	L	98.4	Very high	95.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.6	-50.1	173.9	177.7	76.4	0	0	0	109.8	Y224 R225 M230 C231 Y232 L268 A279 W282 L283 Y412 M422	Y224-L228 HydrophobicContact CE1-CD2 4.48Å; Y224-L228 VanDerWaalsContact O-CB 3.29Å; Y224-L228 WeakPolarHBondContact O-CB 3.46Å; Y224-L228 PolarHBondContact O-N 3.1Å; R225-L228 WeakPolarHBondContact O-CB 3.32Å; R225-L228 PolarHBondContact O-N 3.02Å; L228-M230 PolarHBondContact O-N 2.87Å; L228-C231 PolarHBondContact O-N 3.17Å; L228-Y232 VanDerWaalsContact O-CB 3.3Å; L228-Y232 WeakPolarHBondContact O-CB 3.45Å; L228-Y232 PolarHBondContact O-N 2.78Å; L228-L268 HydrophobicContact CD1-CD2 4Å; L228-A279 HydrophobicContact CD2-CB 3.57Å; L228-W282 HydrophobicContact CD2-CE3 3.92Å; L228-L283 HydrophobicContact CD1-CD1 4.3Å; L228-L283 HydrophobicContact CD1-CD2 4.12Å; L228-L283 HydrophobicContact CD1-CG 4.38Å; L228-L283 HydrophobicContact CD2-CD2 4.15Å; L228-L283 HydrophobicContact CD2-CG 4.04Å; L228-L283 HydrophobicContact CG-CD2 3.84Å; L228-L283 HydrophobicContact CG-CG 4.22Å; L228-Y412 WeakPolarHBondContact CA-OH 3.37Å; L228-Y412 HydrophobicContact CB-CE1 4.08Å; L228-Y412 HydrophobicContact CB-CE2 4.21Å; L228-Y412 HydrophobicContact CD1-CD1 3.51Å; L228-Y412 HydrophobicContact CD1-CD2 3.88Å; L228-Y412 HydrophobicContact CD1-CE1 3.61Å; L228-Y412 HydrophobicContact CD1-CE2 3.96Å; L228-Y412 HydrophobicContact CD1-CG 3.65Å; L228-Y412 HydrophobicContact CG-CE1 4.45Å; L228-Y412 PolarHBondContact N-OH 3.25Å; L228-M422 HydrophobicContact CD1-CE 3.98Å
229	E	96	Very high	95.8	Very high	30 Å²	30	38.5 Å²	38.5	14%	0.14	18%	0.18	C	C	.	.	H	α-helix	trans	-61.5	-44.2	-179.3	-67.6	-168	-171.8	0	0	111.7	R225 E226 A227 K233 I286	R225-E229 HydrophobicContact CG-CG 4.24Å; R225-E229 WeakPolarHBondContact CG-OE1 3.41Å; R225-E229 IonicContact CZ-OE1 2.73Å; R225-E229 IonicContact NE-OE1 3.11Å; R225-E229 PolarHBondContact NE-OE1 3.23Å; R225-E229 IonicContact NH2-OE1 3.99Å; R225-E229 VanDerWaalsContact O-CG 3.3Å; R225-E229 WeakPolarHBondContact O-CG 3.26Å; R225-E229 PolarHBondContact O-N 2.96Å; E226-E229 PolarHBondContact O-N 2.95Å; A227-E229 VanDerWaalsContact C-N 3.33Å; E229-K233 VanDerWaalsContact O-CG 3.29Å; E229-K233 WeakPolarHBondContact O-CG 3.43Å; E229-K233 PolarHBondContact O-N 3.1Å; E229-I286 HydrophobicContact CB-CD1 3.57Å; E229-I286 HydrophobicContact CG-CD1 3.57Å; E229-I286 HydrophobicContact CG-CG1 4.46Å
230	M	97.3	Very high	95.4	Very high	65 Å²	65	37.8 Å²	37.8	32%	0.32	19%	0.187	S	C	.	.	H	α-helix	trans	-69.5	-44.4	178.9	-69.4	-56.4	-65.8	0	0	112.8	Y196 E226 A227 L228 Y232 K233 L234	Y196-M230 HydrophobicContact CD1-CB 4.16Å; Y196-M230 HydrophobicContact CD2-CB 3.62Å; Y196-M230 HydrophobicContact CD2-CE 4.42Å; Y196-M230 HydrophobicContact CD2-CG 4.05Å; Y196-M230 HydrophobicContact CE1-CB 4.44Å; Y196-M230 HydrophobicContact CE1-CG 4.38Å; Y196-M230 HydrophobicContact CE2-CB 3.94Å; Y196-M230 HydrophobicContact CE2-CE 4.14Å; Y196-M230 HydrophobicContact CE2-CG 3.82Å; Y196-M230 HydrophobicContact CG-CB 3.73Å; Y196-M230 HydrophobicContact CG-CG 4.43Å; E226-M230 WeakPolarHBondContact O-CB 3.44Å; E226-M230 VanDerWaalsContact O-CG 3.29Å; E226-M230 WeakPolarHBondContact O-CG 3.25Å; E226-M230 PolarHBondContact O-N 3.22Å; A227-M230 PolarHBondContact O-N 2.92Å; L228-M230 PolarHBondContact O-N 2.87Å; M230-Y232 VanDerWaalsContact C-N 3.29Å; M230-Y232 PolarHBondContact O-N 2.91Å; M230-K233 PolarHBondContact O-N 3.18Å; M230-K233 HydrophobicContact SD-CD 4.4Å; M230-L234 WeakPolarHBondContact O-CG 3.39Å; M230-L234 PolarHBondContact O-N 2.93Å; M230-L234 VanDerWaalsContact O-N 3.11Å
231	C	98.2	Very high	95.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.1	-41	175.6	-71.4	0	0	0	0	111.2	A194 Y196 A227 L228 L234 Y235 Y412 M422	A194-C231 WeakPolarHBondContact CB-O 3.36Å; Y196-C231 VanDerWaalsContact CB-SG 3.59Å; A227-C231 VanDerWaalsContact O-CB 3.24Å; A227-C231 WeakPolarHBondContact O-CB 3.37Å; A227-C231 PolarHBondContact O-N 3.01Å; A227-C231 PolarHBondContact O-SG 3.48Å; L228-C231 PolarHBondContact O-N 3.17Å; C231-L234 PolarHBondContact O-N 3.35Å; C231-Y235 VanDerWaalsContact O-CB 3.3Å; C231-Y235 WeakPolarHBondContact O-CB 3.4Å; C231-Y235 PolarHBondContact O-N 3.19Å; C231-Y412 HydrophobicContact CB-CD2 4.42Å; C231-Y412 HydrophobicContact CB-CE2 4.14Å; C231-M422 HydrophobicContact CB-CB 3.72Å
232	Y	97.1	Very high	94.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66	-45.9	179.2	-174.3	-129.7	0	0	0	112.4	L228 M230 L234 Y235 R236 S246 I248 L283 I286 D287 M422	L228-Y232 VanDerWaalsContact O-CB 3.3Å; L228-Y232 WeakPolarHBondContact O-CB 3.45Å; L228-Y232 PolarHBondContact O-N 2.78Å; M230-Y232 VanDerWaalsContact C-N 3.29Å; M230-Y232 PolarHBondContact O-N 2.91Å; Y232-L234 VanDerWaalsContact C-N 3.3Å; Y232-L234 PolarHBondContact O-N 3.31Å; Y232-Y235 PolarHBondContact O-N 3.39Å; Y232-Y235 VanDerWaalsContact O-N 3.16Å; Y232-R236 HydrophobicContact CD1-CG 4.43Å; Y232-R236 HydrophobicContact CD2-CG 4.09Å; Y232-R236 HydrophobicContact CE1-CG 4.18Å; Y232-R236 HydrophobicContact CE2-CG 3.82Å; Y232-R236 HydrophobicContact CG-CG 4.39Å; Y232-R236 WeakPolarHBondContact O-CB 3.23Å; Y232-R236 WeakPolarHBondContact O-CG 3.16Å; Y232-R236 PolarHBondContact O-N 2.73Å; Y232-S246 PolarHBondContact OH-O 3.47Å; Y232-I248 HydrophobicContact CE2-CG2 3.87Å; Y232-I248 PolarHBondContact OH-N 3.48Å; Y232-I248 VanDerWaalsContact OH-N 3.13Å; Y232-L283 HydrophobicContact CD1-CD2 3.45Å; Y232-L283 VanDerWaalsContact CD1-CD2 3.45Å; Y232-L283 HydrophobicContact CD2-CD2 4.05Å; Y232-L283 HydrophobicContact CE1-CB 4.44Å; Y232-L283 HydrophobicContact CE1-CD2 4.11Å; Y232-L283 HydrophobicContact CG-CD2 3.42Å; Y232-L283 VanDerWaalsContact CG-CD2 3.42Å; Y232-I286 HydrophobicContact CD1-CB 4.02Å; Y232-I286 HydrophobicContact CD1-CD1 4.07Å; Y232-I286 HydrophobicContact CD1-CG2 3.68Å; Y232-I286 HydrophobicContact CE1-CB 4.13Å; Y232-I286 HydrophobicContact CE1-CG2 3.86Å; Y232-D287 VanDerWaalsContact CE1-OD1 3.29Å; Y232-D287 WeakPolarHBondContact CE1-OD1 3.39Å; Y232-D287 VanDerWaalsContact OH-CG 3.3Å; Y232-D287 PolarHBondContact OH-OD1 2.82Å; Y232-D287 PolarHBondContact OH-OD2 3.11Å; Y232-M422 HydrophobicContact CD2-CE 4.23Å; Y232-M422 HydrophobicContact CD2-SD 3.63Å; Y232-M422 HydrophobicContact CG-CE 4.45Å; Y232-M422 HydrophobicContact CG-SD 4.27Å
233	K	94.5	Very high	94.5	Very high	88 Å²	88	40.6 Å²	40.6	38%	0.383	22%	0.218	S	C	.	.	H	α-helix	trans	-55.6	-45.7	174.8	-73	167.6	-175.2	168.5	0	111.8	E229 M230 R236 H237 I286	E229-K233 VanDerWaalsContact O-CG 3.29Å; E229-K233 WeakPolarHBondContact O-CG 3.43Å; E229-K233 PolarHBondContact O-N 3.1Å; M230-K233 PolarHBondContact O-N 3.18Å; M230-K233 HydrophobicContact SD-CD 4.4Å; K233-R236 PolarHBondContact O-N 2.98Å; K233-H237 PolarHBondContact O-N 2.79Å; K233-H237 VanDerWaalsContact O-N 3.09Å; K233-I286 HydrophobicContact CG-CG2 4.42Å
234	L	95.8	Very high	94.1	Very high	66 Å²	66	41.3 Å²	41.3	35%	0.346	22%	0.222	S	C	.	.	H	α-helix	trans	-65.5	-42	176.6	-71.7	172.2	0	0	0	112.4	A194 V195 M230 C231 Y232 H237 K238	A194-L234 HydrophobicContact CB-CB 3.68Å; V195-L234 WeakPolarHBondContact O-CD1 3.28Å; M230-L234 WeakPolarHBondContact O-CG 3.39Å; M230-L234 PolarHBondContact O-N 2.93Å; M230-L234 VanDerWaalsContact O-N 3.11Å; C231-L234 PolarHBondContact O-N 3.35Å; Y232-L234 VanDerWaalsContact C-N 3.3Å; Y232-L234 PolarHBondContact O-N 3.31Å; L234-H237 PolarHBondContact O-N 2.79Å; L234-K238 WeakPolarHBondContact O-CG 3.21Å; L234-K238 PolarHBondContact O-N 2.81Å
235	Y	96.2	Very high	93.5	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-43.8	177	176.8	-89.4	0	0	0	111.2	L192 C231 Y232 H237 K238 S239 V263 L410 M422 S424	L192-Y235 HydrophobicContact CB-CD2 4.37Å; L192-Y235 HydrophobicContact CB-CE2 3.88Å; L192-Y235 HydrophobicContact CD1-CE2 4.33Å; L192-Y235 WeakPolarHBondContact O-CD2 3.5Å; C231-Y235 VanDerWaalsContact O-CB 3.3Å; C231-Y235 WeakPolarHBondContact O-CB 3.4Å; C231-Y235 PolarHBondContact O-N 3.19Å; Y232-Y235 PolarHBondContact O-N 3.39Å; Y232-Y235 VanDerWaalsContact O-N 3.16Å; Y235-H237 PolarHBondContact O-N 3.17Å; Y235-K238 PolarHBondContact O-N 3.15Å; Y235-S239 WeakPolarHBondContact CE1-OG 3.5Å; Y235-S239 VanDerWaalsContact O-CB 3.3Å; Y235-S239 WeakPolarHBondContact O-CB 3.29Å; Y235-S239 PolarHBondContact O-N 3.28Å; Y235-S239 PolarHBondContact O-OG 3.09Å; Y235-V263 HydrophobicContact CE1-CG2 4.39Å; Y235-L410 HydrophobicContact CD1-CD1 3.85Å; Y235-L410 HydrophobicContact CD2-CD1 4.01Å; Y235-L410 HydrophobicContact CE1-CD1 3.49Å; Y235-L410 VanDerWaalsContact CE1-CD1 3.49Å; Y235-L410 HydrophobicContact CE2-CD1 3.65Å; Y235-L410 HydrophobicContact CG-CD1 4.1Å; Y235-M422 HydrophobicContact CD1-SD 4.36Å; Y235-M422 HydrophobicContact CD2-CG 4.15Å; Y235-M422 HydrophobicContact CG-CG 4.1Å; Y235-M422 HydrophobicContact CG-SD 4.08Å; Y235-S424 VanDerWaalsContact OH-CB 3.27Å; Y235-S424 WeakPolarHBondContact OH-CB 3.29Å; Y235-S424 PolarHBondContact OH-OG 3.45Å; Y235-S424 VanDerWaalsContact OH-OG 3.09Å
236	R	92.5	Very high	93.1	Very high	23 Å²	23	41 Å²	41	9%	0.087	22%	0.224	C	C	.	.	H	α-helix	trans	-59	-46.5	175.9	-71.9	-167.3	51.8	178.6	-13.9	111.6	Y232 K233 K238 S239 A240 S246 D287 T290 Y326	Y232-R236 HydrophobicContact CD1-CG 4.43Å; Y232-R236 HydrophobicContact CD2-CG 4.09Å; Y232-R236 HydrophobicContact CE1-CG 4.18Å; Y232-R236 HydrophobicContact CE2-CG 3.82Å; Y232-R236 HydrophobicContact CG-CG 4.39Å; Y232-R236 WeakPolarHBondContact O-CB 3.23Å; Y232-R236 WeakPolarHBondContact O-CG 3.16Å; Y232-R236 PolarHBondContact O-N 2.73Å; K233-R236 PolarHBondContact O-N 2.98Å; R236-K238 PolarHBondContact O-N 2.97Å; R236-S239 PolarHBondContact O-N 3.47Å; R236-A240 WeakPolarHBondContact O-CB 3.46Å; R236-A240 PolarHBondContact O-N 3.39Å; R236-S246 VanDerWaalsContact CA-OG 3.29Å; R236-S246 WeakPolarHBondContact CA-OG 3.38Å; R236-S246 WeakPolarHBondContact CB-OG 3.48Å; R236-S246 VanDerWaalsContact CG-OG 3.29Å; R236-S246 WeakPolarHBondContact CG-OG 3.46Å; R236-D287 IonicContact NH1-OD1 3.61Å; R236-D287 PolarHBondContact NH1-OD1 2.58Å; R236-D287 VanDerWaalsContact NH1-OD1 3.11Å; R236-T290 PolarHBondContact NH2-O 3.07Å; R236-Y326 PolarHBondContact NH1-OH 3.11Å; R236-Y326 VanDerWaalsContact NH1-OH 3.08Å; R236-Y326 PolarHBondContact NH2-OH 2.81Å; R236-Y326 VanDerWaalsContact NH2-OH 3.13Å
237	H	92	Very high	92.7	Very high	98 Å²	98	38.2 Å²	38.2	45%	0.454	21%	0.212	S	C	.	.	H	α-helix	trans	-59.1	-46.4	176.6	177	-90.1	0	0	0	112.2	K233 L234 Y235 S239 A240 S241	K233-H237 PolarHBondContact O-N 2.79Å; K233-H237 VanDerWaalsContact O-N 3.09Å; L234-H237 PolarHBondContact O-N 2.79Å; Y235-H237 PolarHBondContact O-N 3.17Å; H237-S239 VanDerWaalsContact C-N 3.33Å; H237-S239 PolarHBondContact O-N 3.16Å; H237-A240 PolarHBondContact O-N 3.46Å; H237-S241 PolarHBondContact O-N 2.82Å
238	K	93.5	Very high	92.5	Very high	72 Å²	72	38.2 Å²	38.2	31%	0.313	21%	0.212	S	C	.	.	H	α-helix	trans	-67	-33.4	177.1	-67.5	-178.1	-175.7	-160.8	0	112.9	L192 R193 L234 Y235 R236 S241	L192-K238 HydrophobicContact CD2-CB 3.93Å; L192-K238 WeakPolarHBondContact CD2-O 3.41Å; R193-K238 PolarHBondContact O-NZ 3.47Å; L234-K238 WeakPolarHBondContact O-CG 3.21Å; L234-K238 PolarHBondContact O-N 2.81Å; Y235-K238 PolarHBondContact O-N 3.15Å; R236-K238 PolarHBondContact O-N 2.97Å; K238-S241 PolarHBondContact O-OG 2.71Å
239	S	91.9	Very high	92.2	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.007	21%	0.212	C	C	.	.	H	α-helix	trans	-69.6	-44.6	176.9	-63.3	0	0	0	0	111.2	Y235 R236 H237 S241 K242 G243 L244	Y235-S239 WeakPolarHBondContact CE1-OG 3.5Å; Y235-S239 VanDerWaalsContact O-CB 3.3Å; Y235-S239 WeakPolarHBondContact O-CB 3.29Å; Y235-S239 PolarHBondContact O-N 3.28Å; Y235-S239 PolarHBondContact O-OG 3.09Å; R236-S239 PolarHBondContact O-N 3.47Å; H237-S239 VanDerWaalsContact C-N 3.33Å; H237-S239 PolarHBondContact O-N 3.16Å; S239-S241 VanDerWaalsContact C-N 3.32Å; S239-S241 PolarHBondContact O-N 2.83Å; S239-K242 CarbonylContact O-C 3.54Å; S239-K242 WeakPolarHBondContact O-CA 3.29Å; S239-K242 PolarHBondContact O-N 3.39Å; S239-G243 PolarHBondContact O-N 3.14Å; S239-L244 WeakPolarHBondContact O-CB 3.26Å; S239-L244 PolarHBondContact O-N 3.22Å
240	A	88.5	Confident	91.8	Very high	56 Å²	56	37.5 Å²	37.5	46%	0.463	21%	0.209	S	C	.	.	H	α-helix	trans	-60.2	-40.2	177.2	0	0	0	0	0	112	R236 H237 K242 G243	R236-A240 WeakPolarHBondContact O-CB 3.46Å; R236-A240 PolarHBondContact O-N 3.39Å; H237-A240 PolarHBondContact O-N 3.46Å; A240-K242 PolarHBondContact O-N 2.76Å; A240-K242 VanDerWaalsContact O-N 3.15Å; A240-G243 PolarHBondContact O-N 2.83Å
241	S	88.8	Confident	91.1	Very high	93 Å²	93	35.9 Å²	35.9	65%	0.65	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-16	176	74.1	0	0	0	0	113.8	H237 K238 S239	H237-S241 PolarHBondContact O-N 2.82Å; K238-S241 PolarHBondContact O-OG 2.71Å; S239-S241 VanDerWaalsContact C-N 3.32Å; S239-S241 PolarHBondContact O-N 2.83Å
242	K	88.7	Confident	90.3	Very high	97 Å²	97	38.8 Å²	38.8	42%	0.422	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	3.8	171.9	-64.8	-164.2	172.8	-137	0	113.9	F190 L192 S239 A240 L244	F190-K242 WeakPolarHBondContact O-CE 3.45Å; F190-K242 PolarHBondContact O-NZ 2.86Å; L192-K242 HydrophobicContact CD2-CD 3.84Å; L192-K242 HydrophobicContact CD2-CG 4.38Å; L192-K242 HydrophobicContact CG-CD 4.18Å; S239-K242 CarbonylContact O-C 3.54Å; S239-K242 WeakPolarHBondContact O-CA 3.29Å; S239-K242 PolarHBondContact O-N 3.39Å; A240-K242 PolarHBondContact O-N 2.76Å; A240-K242 VanDerWaalsContact O-N 3.15Å; K242-L244 VanDerWaalsContact C-N 3.28Å; K242-L244 HydrophobicContact CB-CD1 4.21Å; K242-L244 HydrophobicContact CB-CG 4.16Å; K242-L244 PolarHBondContact O-N 2.88Å
243	G	88.1	Confident	89.3	Confident	50 Å²	50	44.9 Å²	44.9	52%	0.515	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	20.2	-176.7	0	0	0	0	0	114.1	S239 A240 N261	S239-G243 PolarHBondContact O-N 3.14Å; A240-G243 PolarHBondContact O-N 2.83Å; G243-N261 PolarHBondContact O-ND2 2.93Å
244	L	87.9	Confident	88.4	Confident	18 Å²	18	46.7 Å²	46.7	9%	0.094	25%	0.251	C	S	.	.			trans	-92.5	143	178.6	-60.5	174.2	0	0	0	111	L192 S239 K242 S246 N261	L192-L244 HydrophobicContact CD1-CD1 3.48Å; L192-L244 VanDerWaalsContact CD1-CD1 3.48Å; S239-L244 WeakPolarHBondContact O-CB 3.26Å; S239-L244 PolarHBondContact O-N 3.22Å; K242-L244 VanDerWaalsContact C-N 3.28Å; K242-L244 HydrophobicContact CB-CD1 4.21Å; K242-L244 HydrophobicContact CB-CG 4.16Å; K242-L244 PolarHBondContact O-N 2.88Å; L244-S246 PolarHBondContact O-N 3.12Å; L244-N261 HydrophobicContact CD2-CB 4.1Å
245	N	86.1	Confident	87.3	Confident	32 Å²	32	49.9 Å²	49.9	17%	0.171	27%	0.274	C	S	.	.			trans	-88.1	104.3	170.5	177.7	9.9	0	0	0	109.4	I247 T250 N261 A262 Q329	N245-I247 WeakPolarHBondContact OD1-CB 3.28Å; N245-I247 VanDerWaalsContact OD1-CG1 3.26Å; N245-I247 WeakPolarHBondContact OD1-CG1 3.27Å; N245-I247 PolarHBondContact OD1-N 3.14Å; N245-T250 PolarHBondContact ND2-OG1 3.17Å; N245-T250 VanDerWaalsContact ND2-OG1 3.09Å; N245-N261 CarbonylContact C-O 3.49Å; N245-N261 WeakPolarHBondContact CA-O 3.3Å; N245-N261 PolarHBondContact N-O 3.42Å; N245-A262 VanDerWaalsContact O-CA 3.25Å; N245-A262 WeakPolarHBondContact O-CA 3.34Å; N245-Q329 PolarHBondContact ND2-OE1 3.23Å
246	S	87.5	Confident	86.1	Confident	7 Å²	7	52 Å²	52	5%	0.049	29%	0.285	C	S	.	.			trans	-88.3	-1.1	178.4	48.9	0	0	0	0	114.8	Y232 R236 L244 I248	Y232-S246 PolarHBondContact OH-O 3.47Å; R236-S246 VanDerWaalsContact CA-OG 3.29Å; R236-S246 WeakPolarHBondContact CA-OG 3.38Å; R236-S246 WeakPolarHBondContact CB-OG 3.48Å; R236-S246 VanDerWaalsContact CG-OG 3.29Å; R236-S246 WeakPolarHBondContact CG-OG 3.46Å; L244-S246 PolarHBondContact O-N 3.12Å; S246-I248 PolarHBondContact O-N 2.8Å
247	I	90.3	Very high	85	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.026	30%	0.3	C	S	.	.			trans	-65	114.2	-177.6	-61.1	170.8	0	0	0	108.7	N245 T249 T250 D287 Y326 Q329 I330	N245-I247 WeakPolarHBondContact OD1-CB 3.28Å; N245-I247 VanDerWaalsContact OD1-CG1 3.26Å; N245-I247 WeakPolarHBondContact OD1-CG1 3.27Å; N245-I247 PolarHBondContact OD1-N 3.14Å; I247-T249 VanDerWaalsContact C-N 3.29Å; I247-T249 VanDerWaalsContact CG2-OG1 3.25Å; I247-T249 WeakPolarHBondContact CG2-OG1 3.47Å; I247-T249 PolarHBondContact O-N 3.46Å; I247-T250 PolarHBondContact O-N 2.91Å; I247-T250 PolarHBondContact O-OG1 2.94Å; I247-D287 HydrophobicContact CG2-CB 4.21Å; I247-D287 VanDerWaalsContact CG2-OD2 3.31Å; I247-D287 WeakPolarHBondContact CG2-OD2 3.45Å; I247-Y326 HydrophobicContact CD1-CD2 3.78Å; I247-Y326 HydrophobicContact CD1-CE2 3.3Å; I247-Y326 HydrophobicContact CG1-CE2 4.09Å; I247-Q329 HydrophobicContact CD1-CB 3.9Å; I247-I330 HydrophobicContact CG2-CG1 4.34Å
248	I	92.9	Very high	83.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-30.5	-177.8	62.1	138.7	0	0	0	111.5	Y232 S246 T250 V263 M266 I280 L283 D287 L365 K369 L410	Y232-I248 HydrophobicContact CE2-CG2 3.87Å; Y232-I248 PolarHBondContact OH-N 3.48Å; Y232-I248 VanDerWaalsContact OH-N 3.13Å; S246-I248 PolarHBondContact O-N 2.8Å; I248-T250 PolarHBondContact O-N 3.01Å; I248-V263 HydrophobicContact CG2-CG1 4.29Å; I248-M266 HydrophobicContact CB-CE 4.24Å; I248-M266 HydrophobicContact CB-SD 3.85Å; I248-M266 HydrophobicContact CD1-CE 4.07Å; I248-M266 HydrophobicContact CD1-SD 4.09Å; I248-M266 HydrophobicContact CG2-SD 3.53Å; I248-M266 VanDerWaalsContact CG2-SD 3.53Å; I248-I280 HydrophobicContact CD1-CG2 4.31Å; I248-L283 HydrophobicContact CD1-CB 3.42Å; I248-L283 VanDerWaalsContact CD1-CB 3.42Å; I248-L283 HydrophobicContact CD1-CD1 4.13Å; I248-L283 HydrophobicContact CD1-CG 4.44Å; I248-L283 HydrophobicContact CG1-CB 4.05Å; I248-D287 VanDerWaalsContact CG1-OD2 3.29Å; I248-D287 WeakPolarHBondContact CG1-OD2 3.34Å; I248-D287 PolarHBondContact N-OD2 3.24Å; I248-L365 HydrophobicContact CD1-CD2 4.32Å; I248-L365 VanDerWaalsContact O-CD1 3.32Å; I248-L365 WeakPolarHBondContact O-CD1 3.36Å; I248-K369 PolarHBondContact O-NZ 2.89Å; I248-L410 HydrophobicContact CG2-CD2 4.07Å
249	T	92	Very high	83.2	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	4.3	179.7	53.6	0	0	0	0	114.2	I247 A284 D287 D331 I334 L365	I247-T249 VanDerWaalsContact C-N 3.29Å; I247-T249 VanDerWaalsContact CG2-OG1 3.25Å; I247-T249 WeakPolarHBondContact CG2-OG1 3.47Å; I247-T249 PolarHBondContact O-N 3.46Å; T249-A284 HydrophobicContact CG2-CB 3.47Å; T249-A284 VanDerWaalsContact CG2-CB 3.47Å; T249-D287 HydrophobicContact CG2-CB 4.15Å; T249-D287 WeakPolarHBondContact CG2-OD2 3.35Å; T249-D287 PolarHBondContact N-OD2 2.63Å; T249-D287 VanDerWaalsContact OG1-CB 3.3Å; T249-D287 WeakPolarHBondContact OG1-CB 3.41Å; T249-D287 PolarHBondContact OG1-OD2 3.08Å; T249-D331 WeakPolarHBondContact O-CB 3.49Å; T249-D331 PolarHBondContact O-N 2.76Å; T249-I334 HydrophobicContact CG2-CD1 3.93Å; T249-I334 HydrophobicContact CG2-CG2 4.03Å; T249-L365 HydrophobicContact CG2-CD1 4.29Å
250	T	87.5	Confident	82.6	Confident	14 Å²	14	54.1 Å²	54.1	9%	0.086	30%	0.303	C	S	.	.	S	Bend	trans	-61	128.9	173.4	-61.2	0	0	0	0	111.5	N245 I247 I248 W252 Q329 K369	N245-T250 PolarHBondContact ND2-OG1 3.17Å; N245-T250 VanDerWaalsContact ND2-OG1 3.09Å; I247-T250 PolarHBondContact O-N 2.91Å; I247-T250 PolarHBondContact O-OG1 2.94Å; I248-T250 PolarHBondContact O-N 3.01Å; T250-W252 PolarHBondContact O-N 2.99Å; T250-Q329 WeakPolarHBondContact CA-O 3.45Å; T250-Q329 WeakPolarHBondContact CB-O 3.34Å; T250-Q329 PolarHBondContact OG1-O 3.01Å; T250-K369 PolarHBondContact O-NZ 2.76Å
251	P	82.5	Confident	82.2	Confident	32 Å²	32	55.8 Å²	55.8	21%	0.208	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-49.6	135.9	178.7	-29.8	34.3	0	0	0	111.5	R253 D331	P251-R253 PolarHBondContact O-N 2.99Å; P251-D331 HydrophobicContact CG-CB 4.31Å
252	W	81.4	Confident	81.8	Confident	61 Å²	61	51.8 Å²	51.8	23%	0.231	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-61.5	135.9	172	-176.7	-93.6	0	0	0	109.8	T250 D254 D264 Y265 R368	T250-W252 PolarHBondContact O-N 2.99Å; W252-D254 PolarHBondContact NE1-OD1 3.13Å; W252-D264 HydrophobicContact CZ3-CB 4.11Å; W252-Y265 HydrophobicContact CH2-CE1 4.47Å; W252-Y265 HydrophobicContact CH2-CE2 4.25Å; W252-Y265 AromaticContact CH2-CZ 3.89Å; W252-R368 HydrophobicContact CD2-CG 3.97Å; W252-R368 HydrophobicContact CE3-CG 3.92Å; W252-R368 HydrophobicContact CG-CG 4.31Å; W252-R368 HydrophobicContact CZ3-CG 4.38Å
253	R	77.7	Confident	81.9	Confident	128 Å²	128	47.2 Å²	47.2	48%	0.483	26%	0.258	S	S	.	.			trans	-135.8	111	179.6	-71.9	179.6	-169.6	-176.8	3.6	108.5	P251 T255 L256	P251-R253 PolarHBondContact O-N 2.99Å; R253-T255 PolarHBondContact O-N 3.38Å; R253-L256 HydrophobicContact CB-CD1 3.84Å; R253-L256 HydrophobicContact CB-CD2 4.24Å; R253-L256 HydrophobicContact CB-CG 3.6Å; R253-L256 WeakPolarHBondContact O-CD1 3.09Å; R253-L256 WeakPolarHBondContact O-CG 3.06Å; R253-L256 PolarHBondContact O-N 3.3Å
254	D	74.7	Confident	82.1	Confident	125 Å²	125	45 Å²	45	67%	0.668	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-29	179	-64.5	-51	0	0	0	112	W252 L256	W252-D254 PolarHBondContact NE1-OD1 3.13Å; D254-L256 VanDerWaalsContact C-N 3.28Å; D254-L256 PolarHBondContact O-N 3.38Å
255	T	73.2	Confident	82.5	Confident	133 Å²	133	44.3 Å²	44.3	82%	0.816	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	15	-178	64	0	0	0	0	113.7	R253	R253-T255 PolarHBondContact O-N 3.38Å
256	L	69.4	Low	83.1	Confident	46 Å²	46	42.9 Å²	42.9	24%	0.241	22%	0.223	C	C	.	.			trans	-61.5	143.6	176	-78.1	165.7	0	0	0	110.2	R253 D254 N260	R253-L256 HydrophobicContact CB-CD1 3.84Å; R253-L256 HydrophobicContact CB-CD2 4.24Å; R253-L256 HydrophobicContact CB-CG 3.6Å; R253-L256 WeakPolarHBondContact O-CD1 3.09Å; R253-L256 WeakPolarHBondContact O-CG 3.06Å; R253-L256 PolarHBondContact O-N 3.3Å; D254-L256 VanDerWaalsContact C-N 3.28Å; D254-L256 PolarHBondContact O-N 3.38Å; L256-N260 HydrophobicContact CB-CB 4.23Å; L256-N260 HydrophobicContact CD2-CB 4.31Å
257	P	71.1	Confident	83.6	Confident	61 Å²	61	42.7 Å²	42.7	40%	0.396	22%	0.221	S	C	.	.			trans	-57.3	149.2	174.6	24.7	-32.2	0	0	0	109.8	V259 N260	P257-V259 CarbonylContact O-C 3.56Å; P257-V259 PolarHBondContact O-N 3.19Å; P257-V259 VanDerWaalsContact O-N 3.1Å; P257-N260 HydrophobicContact CG-CB 4.05Å
258	K	68.9	Low	84	Confident	130 Å²	130	42.6 Å²	42.6	57%	0.565	22%	0.221	S	C	*	.	S	Bend	trans	-40.3	-55.4	-178.2	-80	-171.8	172.4	-169.6	0	111.2	G406 P429 D430	K258-G406 CarbonylContact O-C 3.11Å; K258-G406 WeakPolarHBondContact O-CA 3.33Å; K258-P429 HydrophobicContact CB-CB 4.25Å; K258-P429 HydrophobicContact CD-CB 4.15Å; K258-D430 IonicContact NZ-OD1 3.36Å; K258-D430 PolarHBondContact NZ-OD1 2.92Å
259	V	78.8	Confident	84.3	Confident	41 Å²	41	42.8 Å²	42.8	25%	0.248	22%	0.221	C	C	.	.	S	Bend	trans	-102.6	115.7	169.4	-177.1	0	0	0	0	108.5	P257 L426 P429	P257-V259 CarbonylContact O-C 3.56Å; P257-V259 PolarHBondContact O-N 3.19Å; P257-V259 VanDerWaalsContact O-N 3.1Å; V259-L426 HydrophobicContact CG1-CD1 4.35Å; V259-L426 HydrophobicContact CG1-CD2 4.39Å; V259-P429 HydrophobicContact CG2-CB 4.41Å; V259-P429 HydrophobicContact CG2-CG 3.77Å
260	N	77.8	Confident	84.6	Confident	7 Å²	7	42.9 Å²	42.9	4%	0.037	22%	0.222	C	C	.	.			trans	-116.8	171	177.9	76	60.6	0	0	0	111.1	L256 P257 A262 D264 R408	L256-N260 HydrophobicContact CB-CB 4.23Å; L256-N260 HydrophobicContact CD2-CB 4.31Å; P257-N260 HydrophobicContact CG-CB 4.05Å; N260-A262 WeakPolarHBondContact OD1-CA 3.34Å; N260-A262 VanDerWaalsContact OD1-CB 3.24Å; N260-A262 WeakPolarHBondContact OD1-CB 3.49Å; N260-A262 PolarHBondContact OD1-N 2.99Å; N260-D264 PolarHBondContact ND2-OD1 3.35Å; N260-D264 VanDerWaalsContact ND2-OD1 3.15Å; N260-D264 PolarHBondContact ND2-OD2 3.48Å; N260-R408 PolarHBondContact O-NH1 2.5Å
261	N	80.3	Confident	85.1	Confident	91 Å²	91	43.1 Å²	43.1	49%	0.487	22%	0.224	S	C	.	.	S	Bend	trans	-90	-2.7	-177	-73.7	2.8	0	0	0	113.3	G243 L244 N245	G243-N261 PolarHBondContact O-ND2 2.93Å; L244-N261 HydrophobicContact CD2-CB 4.1Å; N245-N261 CarbonylContact C-O 3.49Å; N245-N261 WeakPolarHBondContact CA-O 3.3Å; N245-N261 PolarHBondContact N-O 3.42Å
262	A	81.8	Confident	85.8	Confident	10 Å²	10	43.2 Å²	43.2	8%	0.083	22%	0.221	C	C	.	.	S	Bend	trans	-87.9	169.6	-172.7	0	0	0	0	0	112.9	N245 N260 R408	N245-A262 VanDerWaalsContact O-CA 3.25Å; N245-A262 WeakPolarHBondContact O-CA 3.34Å; N260-A262 WeakPolarHBondContact OD1-CA 3.34Å; N260-A262 VanDerWaalsContact OD1-CB 3.24Å; N260-A262 WeakPolarHBondContact OD1-CB 3.49Å; N260-A262 PolarHBondContact OD1-N 2.99Å; A262-R408 WeakPolarHBondContact O-CB 3.35Å; A262-R408 PolarHBondContact O-NH1 3.02Å
263	V	90.2	Very high	86.6	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.006	21%	0.212	C	C	.	.			trans	-92.7	117.1	161.3	172.1	0	0	0	0	108.6	Y235 I248 Y265 M266 K369 L410	Y235-V263 HydrophobicContact CE1-CG2 4.39Å; I248-V263 HydrophobicContact CG2-CG1 4.29Å; V263-Y265 WeakPolarHBondContact CG1-O 3.49Å; V263-M266 HydrophobicContact CG1-CG 3.84Å; V263-K369 PolarHBondContact O-NZ 2.92Å; V263-L410 HydrophobicContact CG1-CB 3.65Å; V263-L410 HydrophobicContact CG1-CD2 4.35Å; V263-L410 HydrophobicContact CG2-CB 4.41Å
264	D	92.6	Very high	87.5	Confident	3 Å²	3	38 Å²	38	2%	0.016	20%	0.202	C	C	.	.			trans	-96.3	-42.5	-175.8	-59.7	-77.4	0	0	0	112	W252 N260 K369 R407 R408	W252-D264 HydrophobicContact CZ3-CB 4.11Å; N260-D264 PolarHBondContact ND2-OD1 3.35Å; N260-D264 VanDerWaalsContact ND2-OD1 3.15Å; N260-D264 PolarHBondContact ND2-OD2 3.48Å; D264-K369 WeakPolarHBondContact O-CB 3.22Å; D264-K369 VanDerWaalsContact O-CD 3.28Å; D264-K369 WeakPolarHBondContact O-CD 3.18Å; D264-K369 WeakPolarHBondContact O-CG 3.39Å; D264-R407 HydrophobicContact CB-CB 3.86Å; D264-R407 HydrophobicContact CB-CG 4.22Å; D264-R407 VanDerWaalsContact OD1-CD 3.31Å; D264-R407 WeakPolarHBondContact OD1-CD 3.3Å; D264-R407 IonicContact OD1-CZ 3.67Å; D264-R407 IonicContact OD1-NE 2.85Å; D264-R407 IonicContact OD1-NH1 3.64Å; D264-R407 PolarHBondContact OD1-NH1 3Å; D264-R407 VanDerWaalsContact OD2-CA 3.28Å; D264-R407 WeakPolarHBondContact OD2-CA 3.49Å; D264-R407 WeakPolarHBondContact OD2-CD 3.33Å; D264-R408 PolarHBondContact N-O 3.11Å; D264-R408 PolarHBondContact OD2-N 2.86Å
265	Y	96.1	Very high	88.6	Confident	3 Å²	3	32.4 Å²	32.4	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	160.6	177.6	-62.2	-79.9	0	0	0	111	W252 V263 K369 L395 T399 L404 R407 R408 V409 L410	W252-Y265 HydrophobicContact CH2-CE1 4.47Å; W252-Y265 HydrophobicContact CH2-CE2 4.25Å; W252-Y265 AromaticContact CH2-CZ 3.89Å; V263-Y265 WeakPolarHBondContact CG1-O 3.49Å; Y265-K369 CarbonylContact C-O 3.47Å; Y265-K369 WeakPolarHBondContact CA-O 3.13Å; Y265-L395 HydrophobicContact CD1-CD1 3.55Å; Y265-L395 HydrophobicContact CE1-CD1 4.01Å; Y265-L395 HydrophobicContact CG-CD1 3.84Å; Y265-L395 HydrophobicContact CG-CD2 4.09Å; Y265-T399 HydrophobicContact CE1-CG2 4.37Å; Y265-T399 WeakPolarHBondContact OH-CG2 3.08Å; Y265-L404 HydrophobicContact CD2-CD2 4.21Å; Y265-L404 HydrophobicContact CE2-CD2 3.82Å; Y265-R407 HydrophobicContact CD2-CB 4.14Å; Y265-R407 HydrophobicContact CE2-CB 4.07Å; Y265-R407 HydrophobicContact CE2-CG 4.03Å; Y265-R408 PolarHBondContact N-O 2.82Å; Y265-R408 VanDerWaalsContact N-O 3.12Å; Y265-V409 CarbonylContact O-C 3.56Å; Y265-V409 WeakPolarHBondContact O-CA 3.33Å; Y265-L410 PolarHBondContact O-N 3.33Å
266	M	98	Very high	89.8	Confident	3 Å²	3	26 Å²	26	2%	0.015	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	129.5	176.4	-49.6	177.9	-89	0	0	110.7	I248 V263 L268 I280 L283 L365 K369 V370 L410	I248-M266 HydrophobicContact CB-CE 4.24Å; I248-M266 HydrophobicContact CB-SD 3.85Å; I248-M266 HydrophobicContact CD1-CE 4.07Å; I248-M266 HydrophobicContact CD1-SD 4.09Å; I248-M266 HydrophobicContact CG2-SD 3.53Å; I248-M266 VanDerWaalsContact CG2-SD 3.53Å; V263-M266 HydrophobicContact CG1-CG 3.84Å; M266-L268 HydrophobicContact CB-CD1 3.76Å; M266-I280 HydrophobicContact CE-CD1 3.77Å; M266-I280 HydrophobicContact CE-CG2 4.37Å; M266-I280 HydrophobicContact SD-CD1 4.1Å; M266-L283 HydrophobicContact SD-CD1 4.49Å; M266-L365 HydrophobicContact CE-CD2 3.66Å; M266-K369 HydrophobicContact CE-CB 3.92Å; M266-K369 HydrophobicContact CE-CD 4.28Å; M266-K369 PolarHBondContact N-O 3.06Å; M266-V370 HydrophobicContact CB-CG2 4.15Å; M266-V370 HydrophobicContact CE-CG2 3.64Å; M266-L410 CarbonylContact C-O 3.58Å; M266-L410 VanDerWaalsContact CA-O 3.29Å; M266-L410 WeakPolarHBondContact CA-O 3.45Å; M266-L410 HydrophobicContact CB-CB 4.36Å; M266-L410 HydrophobicContact CG-CB 4.01Å; M266-L410 HydrophobicContact CG-CD2 4.3Å; M266-L410 HydrophobicContact SD-CD2 4.28Å
267	C	98.8	Very high	91.1	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.014	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.3	167.6	-61.4	0	0	0	0	108.3	L388 C391 L410 M411 Y412	C267-L388 HydrophobicContact CB-CD1 3.91Å; C267-L388 VanDerWaalsContact O-CD1 3.28Å; C267-L388 WeakPolarHBondContact O-CD1 3.35Å; C267-C391 HydrophobicContact CB-CB 3.96Å; C267-L410 PolarHBondContact N-O 3.11Å; C267-M411 HydrophobicContact CB-CE 4.01Å; C267-M411 HydrophobicContact CB-SD 3.68Å; C267-M411 CarbonylContact O-C 3.58Å; C267-M411 WeakPolarHBondContact O-CA 3.32Å; C267-Y412 PolarHBondContact O-N 3.23Å
268	L	98.8	Very high	92.3	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	149.7	179.5	-66.2	80.2	0	0	0	108.7	L228 M266 A270 V276 A279 I280 V370 Y412	L228-L268 HydrophobicContact CD1-CD2 4Å; M266-L268 HydrophobicContact CB-CD1 3.76Å; L268-A270 PolarHBondContact O-N 2.83Å; L268-V276 HydrophobicContact CB-CG1 4.24Å; L268-V276 HydrophobicContact CD1-CG1 4.33Å; L268-A279 HydrophobicContact CD2-CB 3.67Å; L268-I280 HydrophobicContact CD1-CD1 3.91Å; L268-I280 HydrophobicContact CD2-CD1 4.26Å; L268-V370 HydrophobicContact CD1-CG1 4.48Å; L268-Y412 CarbonylContact C-O 3.24Å; L268-Y412 WeakPolarHBondContact CA-O 3.22Å; L268-Y412 HydrophobicContact CB-CD1 4.28Å; L268-Y412 HydrophobicContact CD2-CD1 4.21Å; L268-Y412 HydrophobicContact CG-CD1 4.32Å
269	H	98.8	Very high	93.7	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.019	9%	0.093	C	C	.	.			trans	-52.1	125.2	167	174.8	60.3	0	0	0	109.4	C128 Y224 P271 Y384 Y412	C128-H269 WeakPolarHBondContact CB-CE1 3.42Å; C128-H269 VanDerWaalsContact SG-CE1 3.58Å; Y224-H269 PolarHBondContact OH-O 2.87Å; Y224-H269 VanDerWaalsContact OH-O 3.1Å; H269-P271 WeakPolarHBondContact NE2-CG 3.41Å; H269-P271 VanDerWaalsContact O-CD 3.28Å; H269-P271 WeakPolarHBondContact O-CD 3.25Å; H269-Y384 PolarHBondContact CE1-O 2.96Å; H269-Y412 PolarHBondContact N-O 3.07Å
270	A	98.4	Very high	94.6	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.008	8%	0.081	C	C	.	.			trans	-120.8	79.1	-168.3	0	0	0	0	0	112.2	L268 F272 V276 L374 A377	L268-A270 PolarHBondContact O-N 2.83Å; A270-F272 PolarHBondContact O-N 3.07Å; A270-V276 HydrophobicContact CB-CG2 3.6Å; A270-L374 HydrophobicContact CB-CD2 4.16Å; A270-A377 HydrophobicContact CB-CB 3.87Å
271	P	97.1	Very high	95.4	Very high	20 Å²	20	16.2 Å²	16.2	13%	0.13	8%	0.079	C	C	.	.	S	Bend	trans	-56.3	-40.3	168.7	-22.4	31.4	0	0	0	112	H269 L275	H269-P271 WeakPolarHBondContact NE2-CG 3.41Å; H269-P271 VanDerWaalsContact O-CD 3.28Å; H269-P271 WeakPolarHBondContact O-CD 3.25Å; P271-L275 HydrophobicContact CB-CD2 4.5Å; P271-L275 HydrophobicContact CG-CD2 3.88Å
272	F	97.5	Very high	96	Very high	34 Å²	34	12.3 Å²	12.3	15%	0.149	6%	0.057	C	C	.	.	S	Bend	trans	-157.8	153.2	169	54.2	-89.7	0	0	0	109.5	L50 Q52 T170 A270 R274 L275	L50-F272 HydrophobicContact CB-CB 4.14Å; L50-F272 HydrophobicContact CB-CD2 4.34Å; L50-F272 HydrophobicContact CB-CG 4.39Å; L50-F272 HydrophobicContact CD2-CD1 4.36Å; L50-F272 HydrophobicContact CD2-CD2 3.95Å; L50-F272 HydrophobicContact CD2-CE2 4.15Å; L50-F272 HydrophobicContact CD2-CG 4.06Å; L50-F272 HydrophobicContact CD2-CZ 4.46Å; Q52-F272 HydrophobicContact CG-CB 4.29Å; T170-F272 HydrophobicContact CG2-CD1 3.91Å; T170-F272 HydrophobicContact CG2-CG 4.49Å; A270-F272 PolarHBondContact O-N 3.07Å; F272-R274 VanDerWaalsContact C-N 3.32Å; F272-R274 HydrophobicContact CD2-CB 3.87Å; F272-R274 HydrophobicContact CE2-CB 4.05Å; F272-R274 PolarHBondContact O-N 3.48Å; F272-L275 HydrophobicContact CD2-CB 3.92Å; F272-L275 HydrophobicContact CE1-CB 4.26Å; F272-L275 HydrophobicContact CE2-CB 3.54Å; F272-L275 HydrophobicContact CG-CB 4.44Å; F272-L275 HydrophobicContact CZ-CB 3.73Å; F272-L275 HydrophobicContact CZ-CD2 4.5Å; F272-L275 WeakPolarHBondContact O-CB 3.35Å; F272-L275 PolarHBondContact O-N 3.42Å; F272-L275 VanDerWaalsContact O-N 3.16Å
273	T	98	Very high	96.7	Very high	7 Å²	7	11.9 Å²	11.9	4%	0.043	5%	0.054	C	C	.	.	H	α-helix	trans	-69.1	-29.4	-167.4	60.8	0	0	0	0	113.4	L50 G51 L275 V276 Q277 L374 A377 K378	L50-T273 PolarHBondContact O-N 3.19Å; L50-T273 PolarHBondContact O-OG1 2.76Å; G51-T273 VanDerWaalsContact C-OG1 3.23Å; G51-T273 WeakPolarHBondContact CA-OG1 3.4Å; G51-T273 PolarHBondContact O-OG1 2.75Å; T273-L275 VanDerWaalsContact C-N 3.28Å; T273-L275 PolarHBondContact O-N 2.91Å; T273-V276 WeakPolarHBondContact O-CB 3.35Å; T273-V276 PolarHBondContact O-N 2.8Å; T273-V276 VanDerWaalsContact O-N 3.16Å; T273-Q277 PolarHBondContact O-N 3.31Å; T273-L374 HydrophobicContact CG2-CB 4.3Å; T273-L374 HydrophobicContact CG2-CD1 4.39Å; T273-L374 HydrophobicContact CG2-CD2 4.46Å; T273-A377 HydrophobicContact CG2-CB 3.94Å; T273-K378 HydrophobicContact CG2-CG 3.64Å
274	R	97.3	Very high	96.8	Very high	72 Å²	72	11.9 Å²	11.9	27%	0.272	5%	0.054	S	C	.	.	H	α-helix	trans	-60.6	-36.8	174.2	-176.5	66.8	70.2	169	9.5	112.4	Q48 G49 L50 F272 V276 Q277 K278	Q48-R274 PolarHBondContact O-NE 3.09Å; Q48-R274 PolarHBondContact O-NH2 3.31Å; G49-R274 WeakPolarHBondContact O-CB 2.96Å; G49-R274 WeakPolarHBondContact O-CG 3.17Å; L50-R274 PolarHBondContact O-N 3.1Å; F272-R274 VanDerWaalsContact C-N 3.32Å; F272-R274 HydrophobicContact CD2-CB 3.87Å; F272-R274 HydrophobicContact CE2-CB 4.05Å; F272-R274 PolarHBondContact O-N 3.48Å; R274-V276 VanDerWaalsContact C-N 3.34Å; R274-Q277 PolarHBondContact O-N 2.86Å; R274-K278 WeakPolarHBondContact O-CG 3.36Å; R274-K278 PolarHBondContact O-N 3.3Å
275	L	97.1	Very high	96.7	Very high	7 Å²	7	11.8 Å²	11.8	4%	0.037	5%	0.053	C	C	.	.	H	α-helix	trans	-64.2	-42.6	176.2	179.3	58.9	0	0	0	110.8	Y224 P271 F272 T273 Q277 K278 A279 W282	Y224-L275 HydrophobicContact CD1-CD1 4.01Å; Y224-L275 HydrophobicContact CD1-CD2 4.17Å; Y224-L275 HydrophobicContact CD1-CG 4.21Å; Y224-L275 HydrophobicContact CD2-CD2 3.91Å; Y224-L275 HydrophobicContact CE1-CD1 4.22Å; Y224-L275 HydrophobicContact CE1-CD2 4.25Å; Y224-L275 HydrophobicContact CE1-CG 4.06Å; Y224-L275 HydrophobicContact CE2-CD2 3.98Å; Y224-L275 HydrophobicContact CG-CD1 4.49Å; Y224-L275 HydrophobicContact CG-CD2 4.01Å; P271-L275 HydrophobicContact CB-CD2 4.5Å; P271-L275 HydrophobicContact CG-CD2 3.88Å; F272-L275 HydrophobicContact CD2-CB 3.92Å; F272-L275 HydrophobicContact CE1-CB 4.26Å; F272-L275 HydrophobicContact CE2-CB 3.54Å; F272-L275 HydrophobicContact CG-CB 4.44Å; F272-L275 HydrophobicContact CZ-CB 3.73Å; F272-L275 HydrophobicContact CZ-CD2 4.5Å; F272-L275 WeakPolarHBondContact O-CB 3.35Å; F272-L275 PolarHBondContact O-N 3.42Å; F272-L275 VanDerWaalsContact O-N 3.16Å; T273-L275 VanDerWaalsContact C-N 3.28Å; T273-L275 PolarHBondContact O-N 2.91Å; L275-Q277 VanDerWaalsContact C-N 3.32Å; L275-Q277 PolarHBondContact O-N 3Å; L275-K278 PolarHBondContact O-N 3.17Å; L275-A279 WeakPolarHBondContact O-CB 3.3Å; L275-A279 PolarHBondContact O-N 3.2Å; L275-W282 HydrophobicContact CD1-CH2 3.71Å; L275-W282 HydrophobicContact CD1-CZ3 3.97Å
276	V	98.3	Very high	96.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-60.6	-43.8	175.7	-178.1	0	0	0	0	110.6	L268 A270 T273 R274 K278 A279 I280 V370 L374	L268-V276 HydrophobicContact CB-CG1 4.24Å; L268-V276 HydrophobicContact CD1-CG1 4.33Å; A270-V276 HydrophobicContact CB-CG2 3.6Å; T273-V276 WeakPolarHBondContact O-CB 3.35Å; T273-V276 PolarHBondContact O-N 2.8Å; T273-V276 VanDerWaalsContact O-N 3.16Å; R274-V276 VanDerWaalsContact C-N 3.34Å; V276-K278 PolarHBondContact O-N 2.74Å; V276-A279 WeakPolarHBondContact O-CB 3.35Å; V276-A279 PolarHBondContact O-N 2.88Å; V276-I280 WeakPolarHBondContact O-CG1 3.29Å; V276-I280 PolarHBondContact O-N 2.86Å; V276-V370 HydrophobicContact CG1-CG1 3.55Å; V276-L374 HydrophobicContact CB-CD1 4.42Å; V276-L374 HydrophobicContact CB-CD2 4.43Å; V276-L374 HydrophobicContact CG1-CD1 4.19Å; V276-L374 HydrophobicContact CG1-CD2 4.25Å; V276-L374 HydrophobicContact CG2-CD2 4.19Å
277	Q	97.6	Very high	96	Very high	31 Å²	31	11.7 Å²	11.7	15%	0.145	5%	0.053	C	C	.	.	H	α-helix	trans	-60.9	-43.4	177.2	-158	-172	11.7	0	0	112.1	T273 R274 L275 I280 L359 Y366	T273-Q277 PolarHBondContact O-N 3.31Å; R274-Q277 PolarHBondContact O-N 2.86Å; L275-Q277 VanDerWaalsContact C-N 3.32Å; L275-Q277 PolarHBondContact O-N 3Å; Q277-I280 PolarHBondContact O-N 3.06Å; Q277-L359 HydrophobicContact CB-CD2 3.74Å; Q277-L359 VanDerWaalsContact CD-CD2 3.46Å; Q277-L359 HydrophobicContact CG-CD2 3.41Å; Q277-L359 VanDerWaalsContact CG-CD2 3.41Å; Q277-Y366 HydrophobicContact CB-CD2 4.03Å; Q277-Y366 HydrophobicContact CB-CE2 3.8Å; Q277-Y366 HydrophobicContact CG-CD1 4.16Å; Q277-Y366 HydrophobicContact CG-CD2 3.71Å; Q277-Y366 HydrophobicContact CG-CE1 4.31Å; Q277-Y366 HydrophobicContact CG-CE2 3.82Å; Q277-Y366 HydrophobicContact CG-CG 3.89Å
278	K	96.9	Very high	95.4	Very high	47 Å²	47	12.5 Å²	12.5	20%	0.204	6%	0.057	C	C	.	.	H	α-helix	trans	-63.1	-41.6	174.9	-70.5	-179.2	176.3	-156.7	0	112.2	R274 L275 V276 I280 G281 W282 D355 L359	R274-K278 WeakPolarHBondContact O-CG 3.36Å; R274-K278 PolarHBondContact O-N 3.3Å; L275-K278 PolarHBondContact O-N 3.17Å; V276-K278 PolarHBondContact O-N 2.74Å; K278-I280 VanDerWaalsContact C-N 3.27Å; K278-I280 PolarHBondContact O-N 3.32Å; K278-G281 VanDerWaalsContact O-CA 3.3Å; K278-G281 WeakPolarHBondContact O-CA 3.06Å; K278-G281 PolarHBondContact O-N 2.88Å; K278-W282 HydrophobicContact CB-CH2 4.06Å; K278-W282 HydrophobicContact CB-CZ2 3.73Å; K278-W282 HydrophobicContact CD-CZ2 4.09Å; K278-W282 PolarHBondContact O-N 2.73Å; K278-D355 WeakPolarHBondContact CD-OD2 3.24Å; K278-D355 WeakPolarHBondContact CE-OD2 3.37Å; K278-D355 IonicContact NZ-OD2 2.72Å; K278-D355 PolarHBondContact NZ-OD2 3.04Å; K278-L359 HydrophobicContact CG-CD1 4.43Å; K278-L359 HydrophobicContact CG-CD2 4.11Å; K278-L359 HydrophobicContact CG-CG 4.45Å
279	A	97.4	Very high	94.4	Very high	0 Å²	0	17 Å²	17	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-55.6	-41.2	179.4	0	0	0	0	0	112.4	Y224 L228 L268 L275 V276 G281 W282 L283	Y224-A279 HydrophobicContact CE1-CB 4.1Å; L228-A279 HydrophobicContact CD2-CB 3.57Å; L268-A279 HydrophobicContact CD2-CB 3.67Å; L275-A279 WeakPolarHBondContact O-CB 3.3Å; L275-A279 PolarHBondContact O-N 3.2Å; V276-A279 WeakPolarHBondContact O-CB 3.35Å; V276-A279 PolarHBondContact O-N 2.88Å; A279-G281 VanDerWaalsContact C-N 3.3Å; A279-G281 PolarHBondContact O-N 3.17Å; A279-W282 HydrophobicContact CB-CE3 4.25Å; A279-W282 HydrophobicContact CB-CZ3 4.47Å; A279-W282 PolarHBondContact O-N 3.31Å; A279-L283 WeakPolarHBondContact O-CG 3.23Å; A279-L283 PolarHBondContact O-N 3.04Å
280	I	97.3	Very high	92.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.5	-40.5	175.4	-57.2	-42.4	0	0	0	111.7	I248 M266 L268 V276 Q277 K278 L283 A284 T362 L365 Y366 V370	I248-I280 HydrophobicContact CD1-CG2 4.31Å; M266-I280 HydrophobicContact CE-CD1 3.77Å; M266-I280 HydrophobicContact CE-CG2 4.37Å; M266-I280 HydrophobicContact SD-CD1 4.1Å; L268-I280 HydrophobicContact CD1-CD1 3.91Å; L268-I280 HydrophobicContact CD2-CD1 4.26Å; V276-I280 WeakPolarHBondContact O-CG1 3.29Å; V276-I280 PolarHBondContact O-N 2.86Å; Q277-I280 PolarHBondContact O-N 3.06Å; K278-I280 VanDerWaalsContact C-N 3.27Å; K278-I280 PolarHBondContact O-N 3.32Å; I280-L283 HydrophobicContact CD1-CD1 4.41Å; I280-L283 PolarHBondContact O-N 2.83Å; I280-A284 WeakPolarHBondContact O-CB 3.34Å; I280-A284 PolarHBondContact O-N 2.96Å; I280-T362 HydrophobicContact CG2-CG2 4.4Å; I280-L365 HydrophobicContact CG2-CD2 3.22Å; I280-Y366 HydrophobicContact CG1-CD2 4.28Å; I280-V370 HydrophobicContact CD1-CG2 3.72Å; I280-V370 HydrophobicContact CG1-CG2 3.84Å
281	G	95	Very high	90.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-56.1	-46.4	171.6	0	0	0	0	0	113.8	K278 A279 A284 Q285 C358	K278-G281 VanDerWaalsContact O-CA 3.3Å; K278-G281 WeakPolarHBondContact O-CA 3.06Å; K278-G281 PolarHBondContact O-N 2.88Å; A279-G281 VanDerWaalsContact C-N 3.3Å; A279-G281 PolarHBondContact O-N 3.17Å; G281-A284 PolarHBondContact O-N 2.59Å; G281-Q285 PolarHBondContact O-N 3.05Å; G281-C358 PolarHBondContact O-SG 3.21Å
282	W	94.1	Very high	87.7	Confident	9 Å²	9	25.9 Å²	25.9	3%	0.034	13%	0.131	C	C	.	.	H	α-helix	trans	-67.7	-40.6	178.4	-55	-30.9	0	0	0	112.1	Y224 R225 L228 L275 K278 A279 Q285 I286 D355	Y224-W282 HydrophobicContact CD1-CZ3 4.04Å; Y224-W282 HydrophobicContact CE1-CZ3 4.4Å; R225-W282 HydrophobicContact CB-CD2 4.38Å; R225-W282 HydrophobicContact CB-CE3 3.82Å; R225-W282 HydrophobicContact CB-CH2 4.1Å; R225-W282 HydrophobicContact CB-CZ3 3.69Å; R225-W282 HydrophobicContact CG-CD2 3.84Å; R225-W282 HydrophobicContact CG-CE3 3.69Å; R225-W282 HydrophobicContact CG-CG 4.32Å; R225-W282 HydrophobicContact CG-CZ3 4.09Å; L228-W282 HydrophobicContact CD2-CE3 3.92Å; L275-W282 HydrophobicContact CD1-CH2 3.71Å; L275-W282 HydrophobicContact CD1-CZ3 3.97Å; K278-W282 HydrophobicContact CB-CH2 4.06Å; K278-W282 HydrophobicContact CB-CZ2 3.73Å; K278-W282 HydrophobicContact CD-CZ2 4.09Å; K278-W282 PolarHBondContact O-N 2.73Å; A279-W282 HydrophobicContact CB-CE3 4.25Å; A279-W282 HydrophobicContact CB-CZ3 4.47Å; A279-W282 PolarHBondContact O-N 3.31Å; W282-Q285 WeakPolarHBondContact O-CB 3.47Å; W282-Q285 PolarHBondContact O-N 3.17Å; W282-I286 PolarHBondContact O-N 3.27Å; W282-I286 VanDerWaalsContact O-N 3.08Å; W282-D355 PolarHBondContact NE1-OD1 2.88Å
283	L	94.8	Very high	84.9	Confident	2 Å²	2	27 Å²	27	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-63.1	-41	174.3	-67.7	177.2	0	0	0	111.9	L228 Y232 I248 M266 A279 I280 Q285 I286 D287 M422	L228-L283 HydrophobicContact CD1-CD1 4.3Å; L228-L283 HydrophobicContact CD1-CD2 4.12Å; L228-L283 HydrophobicContact CD1-CG 4.38Å; L228-L283 HydrophobicContact CD2-CD2 4.15Å; L228-L283 HydrophobicContact CD2-CG 4.04Å; L228-L283 HydrophobicContact CG-CD2 3.84Å; L228-L283 HydrophobicContact CG-CG 4.22Å; Y232-L283 HydrophobicContact CD1-CD2 3.45Å; Y232-L283 VanDerWaalsContact CD1-CD2 3.45Å; Y232-L283 HydrophobicContact CD2-CD2 4.05Å; Y232-L283 HydrophobicContact CE1-CB 4.44Å; Y232-L283 HydrophobicContact CE1-CD2 4.11Å; Y232-L283 HydrophobicContact CG-CD2 3.42Å; Y232-L283 VanDerWaalsContact CG-CD2 3.42Å; I248-L283 HydrophobicContact CD1-CB 3.42Å; I248-L283 VanDerWaalsContact CD1-CB 3.42Å; I248-L283 HydrophobicContact CD1-CD1 4.13Å; I248-L283 HydrophobicContact CD1-CG 4.44Å; I248-L283 HydrophobicContact CG1-CB 4.05Å; M266-L283 HydrophobicContact SD-CD1 4.49Å; A279-L283 WeakPolarHBondContact O-CG 3.23Å; A279-L283 PolarHBondContact O-N 3.04Å; I280-L283 HydrophobicContact CD1-CD1 4.41Å; I280-L283 PolarHBondContact O-N 2.83Å; L283-Q285 VanDerWaalsContact C-N 3.29Å; L283-Q285 PolarHBondContact O-N 3.06Å; L283-I286 WeakPolarHBondContact O-CB 3.41Å; L283-I286 PolarHBondContact O-N 2.92Å; L283-I286 VanDerWaalsContact O-N 3.08Å; L283-D287 PolarHBondContact O-N 3.48Å; L283-M422 HydrophobicContact CD2-CE 4.47Å
284	A	93	Very high	82	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.5	-37.3	174.9	0	0	0	0	0	112	T249 I280 G281 I286 D287 M288 I334 L338 T362	T249-A284 HydrophobicContact CG2-CB 3.47Å; T249-A284 VanDerWaalsContact CG2-CB 3.47Å; I280-A284 WeakPolarHBondContact O-CB 3.34Å; I280-A284 PolarHBondContact O-N 2.96Å; G281-A284 PolarHBondContact O-N 2.59Å; A284-I286 VanDerWaalsContact C-N 3.31Å; A284-I286 PolarHBondContact O-N 2.98Å; A284-D287 WeakPolarHBondContact O-CB 3.35Å; A284-D287 PolarHBondContact O-N 2.77Å; A284-M288 WeakPolarHBondContact O-CG 3.08Å; A284-M288 PolarHBondContact O-N 3.39Å; A284-M288 VanDerWaalsContact O-N 3.09Å; A284-I334 HydrophobicContact CB-CG2 4.24Å; A284-L338 HydrophobicContact CB-CD1 3.99Å; A284-T362 HydrophobicContact CB-CG2 3.46Å; A284-T362 VanDerWaalsContact CB-CG2 3.46Å
285	Q	89.9	Confident	78.9	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-62	-39.1	172.5	-168.6	-176.8	53.1	0	0	111.7	G281 W282 L283 M288 R289 Y341	G281-Q285 PolarHBondContact O-N 3.05Å; W282-Q285 WeakPolarHBondContact O-CB 3.47Å; W282-Q285 PolarHBondContact O-N 3.17Å; L283-Q285 VanDerWaalsContact C-N 3.29Å; L283-Q285 PolarHBondContact O-N 3.06Å; Q285-M288 PolarHBondContact O-N 3.36Å; Q285-R289 WeakPolarHBondContact O-CB 3.2Å; Q285-R289 VanDerWaalsContact O-CG 3.32Å; Q285-R289 WeakPolarHBondContact O-CG 3.05Å; Q285-R289 PolarHBondContact O-N 2.66Å; Q285-Y341 PolarHBondContact NE2-O 3.05Å
286	I	89.9	Confident	75.8	Confident	4 Å²	4	33 Å²	33	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-63.1	-43.3	173.7	-68.3	176.5	0	0	0	110.8	E229 Y232 K233 W282 L283 A284 M288 R289 T290	E229-I286 HydrophobicContact CB-CD1 3.57Å; E229-I286 HydrophobicContact CG-CD1 3.57Å; E229-I286 HydrophobicContact CG-CG1 4.46Å; Y232-I286 HydrophobicContact CD1-CB 4.02Å; Y232-I286 HydrophobicContact CD1-CD1 4.07Å; Y232-I286 HydrophobicContact CD1-CG2 3.68Å; Y232-I286 HydrophobicContact CE1-CB 4.13Å; Y232-I286 HydrophobicContact CE1-CG2 3.86Å; K233-I286 HydrophobicContact CG-CG2 4.42Å; W282-I286 PolarHBondContact O-N 3.27Å; W282-I286 VanDerWaalsContact O-N 3.08Å; L283-I286 WeakPolarHBondContact O-CB 3.41Å; L283-I286 PolarHBondContact O-N 2.92Å; L283-I286 VanDerWaalsContact O-N 3.08Å; A284-I286 VanDerWaalsContact C-N 3.31Å; A284-I286 PolarHBondContact O-N 2.98Å; I286-M288 PolarHBondContact O-N 3.13Å; I286-R289 PolarHBondContact O-N 2.66Å; I286-R289 VanDerWaalsContact O-N 3.08Å; I286-T290 WeakPolarHBondContact CG2-OG1 3.48Å; I286-T290 WeakPolarHBondContact O-CB 3.48Å; I286-T290 PolarHBondContact O-N 3.07Å; I286-T290 PolarHBondContact O-OG1 3.07Å
287	D	90.5	Very high	72.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-34.9	175.9	-74.9	-10.6	0	0	0	112.1	Y232 R236 I247 I248 T249 L283 A284 Y326	Y232-D287 VanDerWaalsContact CE1-OD1 3.29Å; Y232-D287 WeakPolarHBondContact CE1-OD1 3.39Å; Y232-D287 VanDerWaalsContact OH-CG 3.3Å; Y232-D287 PolarHBondContact OH-OD1 2.82Å; Y232-D287 PolarHBondContact OH-OD2 3.11Å; R236-D287 IonicContact NH1-OD1 3.61Å; R236-D287 PolarHBondContact NH1-OD1 2.58Å; R236-D287 VanDerWaalsContact NH1-OD1 3.11Å; I247-D287 HydrophobicContact CG2-CB 4.21Å; I247-D287 VanDerWaalsContact CG2-OD2 3.31Å; I247-D287 WeakPolarHBondContact CG2-OD2 3.45Å; I248-D287 VanDerWaalsContact CG1-OD2 3.29Å; I248-D287 WeakPolarHBondContact CG1-OD2 3.34Å; I248-D287 PolarHBondContact N-OD2 3.24Å; T249-D287 HydrophobicContact CG2-CB 4.15Å; T249-D287 WeakPolarHBondContact CG2-OD2 3.35Å; T249-D287 PolarHBondContact N-OD2 2.63Å; T249-D287 VanDerWaalsContact OG1-CB 3.3Å; T249-D287 WeakPolarHBondContact OG1-CB 3.41Å; T249-D287 PolarHBondContact OG1-OD2 3.08Å; L283-D287 PolarHBondContact O-N 3.48Å; A284-D287 WeakPolarHBondContact O-CB 3.35Å; A284-D287 PolarHBondContact O-N 2.77Å; D287-Y326 WeakPolarHBondContact O-CE1 3.32Å; D287-Y326 PolarHBondContact O-OH 2.8Å
288	M	85.2	Confident	69.7	Low	19 Å²	19	44.2 Å²	44.2	9%	0.094	24%	0.243	C	C	.	.	H	α-helix	trans	-74.4	-32.5	176.8	-63.1	-47.9	81.4	0	0	112.8	A284 Q285 I286 I330 F335 L338 C342	A284-M288 WeakPolarHBondContact O-CG 3.08Å; A284-M288 PolarHBondContact O-N 3.39Å; A284-M288 VanDerWaalsContact O-N 3.09Å; Q285-M288 PolarHBondContact O-N 3.36Å; I286-M288 PolarHBondContact O-N 3.13Å; M288-I330 HydrophobicContact CE-CB 4.08Å; M288-I330 HydrophobicContact CE-CD1 3.3Å; M288-I330 HydrophobicContact CE-CG1 3.55Å; M288-I330 HydrophobicContact CE-CG2 3.36Å; M288-I330 HydrophobicContact SD-CD1 4.25Å; M288-I330 HydrophobicContact SD-CG2 3.85Å; M288-F335 HydrophobicContact SD-CB 4.33Å; M288-F335 HydrophobicContact SD-CD2 3.96Å; M288-L338 HydrophobicContact CG-CB 4.01Å; M288-C342 HydrophobicContact CB-CB 3.83Å; M288-C342 WeakPolarHBondContact CB-SG 3.47Å
289	R	79.1	Confident	66.4	Low	100 Å²	100	47.3 Å²	47.3	38%	0.377	26%	0.262	S	S	.	.	H	α-helix	trans	-86.1	-33	-174.5	-74.4	176.4	173.5	175	-0.8	113.9	Q285 I286 E291 C342	Q285-R289 WeakPolarHBondContact O-CB 3.2Å; Q285-R289 VanDerWaalsContact O-CG 3.32Å; Q285-R289 WeakPolarHBondContact O-CG 3.05Å; Q285-R289 PolarHBondContact O-N 2.66Å; I286-R289 PolarHBondContact O-N 2.66Å; I286-R289 VanDerWaalsContact O-N 3.08Å; R289-E291 PolarHBondContact O-N 2.77Å; R289-C342 HydrophobicContact CG-CB 3.96Å; R289-C342 WeakPolarHBondContact CG-O 3.23Å
290	T	62.3	Low	63.3	Low	49 Å²	49	56.3 Å²	56.3	30%	0.301	31%	0.311	S	S	.	.	S	Bend	trans	-90.6	75.7	-163.5	-38.4	0	0	0	0	110.9	R236 I286 Y326	R236-T290 PolarHBondContact NH2-O 3.07Å; I286-T290 WeakPolarHBondContact CG2-OG1 3.48Å; I286-T290 WeakPolarHBondContact O-CB 3.48Å; I286-T290 PolarHBondContact O-N 3.07Å; I286-T290 PolarHBondContact O-OG1 3.07Å; T290-Y326 PolarHBondContact O-OH 3.33Å
291	E	50.6	Low	60.1	Low	108 Å²	108	59.8 Å²	59.8	51%	0.505	34%	0.335	S	S	.	.	S	Bend	trans	173.7	94.8	140.3	-95.4	179.8	-148.8	0	0	108.8	R289 I293	R289-E291 PolarHBondContact O-N 2.77Å; E291-I293 PolarHBondContact O-N 3Å
292	G	39.6	Very low	56.8	Low	53 Å²	53	67 Å²	67	55%	0.546	37%	0.368	S	S	.	.	S	Bend	trans	60.9	20.5	155.3	0	0	0	0	0	120.1
293	I	39.3	Very low	53.5	Low	57 Å²	57	71.6 Å²	71.6	29%	0.292	40%	0.397	S	S	.	.			trans	-131.3	106.3	-178.8	-57.3	145.6	0	0	0	111.8	E291 K323 F327	E291-I293 PolarHBondContact O-N 3Å; I293-K323 HydrophobicContact CD1-CD 3.58Å; I293-K323 HydrophobicContact CD1-CG 3.76Å; I293-K323 HydrophobicContact CG1-CD 4.04Å; I293-F327 HydrophobicContact CD1-CE2 3.42Å; I293-F327 VanDerWaalsContact CD1-CE2 3.42Å; I293-F327 HydrophobicContact CD1-CZ 3.54Å
294	V	37.6	Very low	50.5	Low	58 Å²	58	78 Å²	78	35%	0.352	43%	0.425	S	S	.	.			trans	-117.2	116.8	155	-169.5	0	0	0	0	103.2	D296 P344	V294-D296 PolarHBondContact O-N 3.04Å; V294-P344 HydrophobicContact CB-CG 3.7Å; V294-P344 VanDerWaalsContact CG1-CD 3.47Å; V294-P344 HydrophobicContact CG1-CG 3.54Å; V294-P344 HydrophobicContact CG2-CB 4.34Å; V294-P344 VanDerWaalsContact CG2-CD 3.4Å; V294-P344 HydrophobicContact CG2-CG 2.91Å
295	A	31.5	Very low	47.4	Very low	60 Å²	60	83.7 Å²	83.7	50%	0.496	46%	0.455	S	S	.	.			trans	-68.7	101.3	170.7	0	0	0	0	0	107.7	K297	A295-K297 PolarHBondContact O-N 2.86Å
296	D	31.5	Very low	44.3	Very low	96 Å²	96	88.5 Å²	88.5	51%	0.513	49%	0.489	S	S	.	.			trans	-68.2	111.8	159.9	-172.8	-5.9	0	0	0	107.3	V294 S298	V294-D296 PolarHBondContact O-N 3.04Å; D296-S298 PolarHBondContact O-N 3.08Å; D296-S298 VanDerWaalsContact OD1-CB 3.25Å; D296-S298 WeakPolarHBondContact OD1-CB 3.22Å; D296-S298 PolarHBondContact OD1-N 3.31Å; D296-S298 PolarHBondContact OD1-OG 3.33Å; D296-S298 PolarHBondContact OD2-OG 3.06Å
297	K	34.9	Very low	41.4	Very low	186 Å²	186	93.7 Å²	93.7	81%	0.809	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	5.2	179.1	-76.6	-174.5	177.1	177.1	0	112.8	A295	A295-K297 PolarHBondContact O-N 2.86Å
298	S	33.1	Very low	38.4	Very low	79 Å²	79	98.6 Å²	98.6	55%	0.552	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-8	-172.6	72.4	0	0	0	0	115.9	D296	D296-S298 PolarHBondContact O-N 3.08Å; D296-S298 VanDerWaalsContact OD1-CB 3.25Å; D296-S298 WeakPolarHBondContact OD1-CB 3.22Å; D296-S298 PolarHBondContact OD1-N 3.31Å; D296-S298 PolarHBondContact OD1-OG 3.33Å; D296-S298 PolarHBondContact OD2-OG 3.06Å
299	N	28	Very low	35.6	Very low	113 Å²	113	107.9 Å²	107.9	60%	0.604	60%	0.6	S	S	*	*			trans	-142	136.5	175.3	-86	-43.4	0	0	0	112.4	S301	N299-S301 PolarHBondContact O-N 2.97Å
300	N	32	Very low	33.1	Very low	189 Å²	189	108.2 Å²	108.2	100%	1.011	62%	0.624	S	S	*	*	S	Bend	trans	-68.6	31.7	175.4	-101	-10.7	0	0	0	113.6
301	S	29.1	Very low	31.4	Very low	72 Å²	72	108.3 Å²	108.3	50%	0.503	63%	0.634	S	S	.	*	S	Bend	trans	-139.3	125.5	176.2	46.5	0	0	0	0	109.1	N299 V303	N299-S301 PolarHBondContact O-N 2.97Å; S301-V303 VanDerWaalsContact C-N 3.3Å; S301-V303 PolarHBondContact O-N 2.93Å
302	E	26.6	Very low	30.2	Very low	152 Å²	152	112.8 Å²	112.8	71%	0.71	66%	0.656	S	S	*	*			trans	-63.7	88.9	172.9	-70.7	-168.9	123.8	0	0	109.6	K323	E302-K323 IonicContact OE1-NZ 2.79Å; E302-K323 PolarHBondContact OE1-NZ 3.06Å
303	V	24.5	Very low	29.7	Very low	105 Å²	105	118.3 Å²	118.3	64%	0.636	67%	0.671	S	S	*	*			trans	-94.3	115.4	173.1	-180	0	0	0	0	108.8	S301 L305	S301-V303 VanDerWaalsContact C-N 3.3Å; S301-V303 PolarHBondContact O-N 2.93Å; V303-L305 PolarHBondContact O-N 2.92Å
304	F	31.4	Very low	29.2	Very low	136 Å²	136	119.1 Å²	119.1	60%	0.596	68%	0.682	S	S	*	*			trans	-72.2	112.8	176.1	-69.9	-92.9	0	0	0	110.4	S306	F304-S306 PolarHBondContact O-N 2.83Å
305	L	28.2	Very low	28.6	Very low	120 Å²	120	125 Å²	125	63%	0.628	71%	0.705	S	S	*	*			trans	-80.2	99.8	168.1	-80.2	161.8	0	0	0	109.5	V303 S307	V303-L305 PolarHBondContact O-N 2.92Å; L305-S307 PolarHBondContact O-N 3.06Å; L305-S307 VanDerWaalsContact O-N 3.12Å
306	S	25.1	Very low	28.3	Very low	103 Å²	103	129.4 Å²	129.4	72%	0.72	72%	0.72	S	S	*	*			trans	-63.9	104.2	155.9	61.2	0	0	0	0	107.6	F304 S308	F304-S306 PolarHBondContact O-N 2.83Å; S306-S308 PolarHBondContact O-N 3.35Å
307	S	30.2	Very low	28.2	Very low	113 Å²	113	132.3 Å²	132.3	79%	0.79	74%	0.735	S	S	*	*			trans	-70.2	86.9	174.3	49.3	0	0	0	0	109.8	L305 K309	L305-S307 PolarHBondContact O-N 3.06Å; L305-S307 VanDerWaalsContact O-N 3.12Å; S307-K309 PolarHBondContact O-N 3.43Å
308	S	26.8	Very low	28.4	Very low	103 Å²	103	129.8 Å²	129.8	72%	0.72	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	98.3	162.9	48.9	0	0	0	0	108.7	S306	S306-S308 PolarHBondContact O-N 3.35Å
309	K	26.3	Very low	28.7	Very low	213 Å²	213	135.1 Å²	135.1	93%	0.926	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	170.3	7.5	140.8	-93.1	170.1	-179	-179.8	0	115.7	S307	S307-K309 PolarHBondContact O-N 3.43Å
310	A	27.5	Very low	29.4	Very low	107 Å²	107	135.9 Å²	135.9	88%	0.884	75%	0.751	S	S	*	*	S	Bend	trans	-128.3	7.6	169.4	0	0	0	0	0	114.7
311	G	26.3	Very low	30.2	Very low	51 Å²	51	129.9 Å²	129.9	53%	0.526	72%	0.721	S	S	.	*			trans	-115.5	28	-165.8	0	0	0	0	0	116.8	L313	G311-L313 PolarHBondContact O-N 2.92Å
312	Q	25.4	Very low	31.4	Very low	203 Å²	203	129 Å²	129	95%	0.949	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	16.4	-179.9	-131.2	170.2	5.6	0	0	114.4
313	L	27.6	Very low	32.8	Very low	168 Å²	168	125.7 Å²	125.7	88%	0.88	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117	6.2	177.7	-85.2	160.3	0	0	0	114.3	G311	G311-L313 PolarHBondContact O-N 2.92Å
314	C	28.8	Very low	34.4	Very low	75 Å²	75	124.2 Å²	124.2	51%	0.507	69%	0.693	S	S	.	*			trans	-129.7	59.9	-170	-47.2	0	0	0	0	112.6
315	H	25.6	Very low	36	Very low	181 Å²	181	122.7 Å²	122.7	84%	0.838	69%	0.688	S	S	*	*			trans	-123.2	99.4	160.9	-89.4	-37.4	0	0	0	108.4
316	N	26.3	Very low	38	Very low	153 Å²	153	117.6 Å²	117.6	82%	0.818	66%	0.66	S	S	*	*	S	Bend	trans	166.6	124.3	134.9	-78.4	-21.9	0	0	0	109.1
317	N	27.9	Very low	40	Very low	156 Å²	156	115.1 Å²	115.1	83%	0.834	64%	0.637	S	S	*	*			trans	86.2	79.6	178.3	-54.6	-20.8	0	0	0	116.8
318	H	39	Very low	42.1	Very low	134 Å²	134	115.1 Å²	115.1	62%	0.62	63%	0.628	S	S	*	*			trans	-119.8	113.8	156.3	-77.8	-12.9	0	0	0	110.5	T320	H318-T320 VanDerWaalsContact C-N 3.33Å; H318-T320 PolarHBondContact O-N 3.42Å; H318-T320 VanDerWaalsContact O-N 3.11Å
319	H	39.5	Very low	44.7	Very low	190 Å²	190	112.6 Å²	112.6	88%	0.88	60%	0.604	S	S	*	*			trans	-54.3	106	142.7	-93.2	-70.1	0	0	0	106.4	T321	H319-T321 VanDerWaalsContact C-N 3.33Å; H319-T321 PolarHBondContact O-N 3.42Å
320	T	42.9	Very low	47.5	Very low	130 Å²	130	102.6 Å²	102.6	80%	0.798	56%	0.561	S	S	*	*			trans	-73	91.6	175	50.2	0	0	0	0	107.9	H318 S322	H318-T320 VanDerWaalsContact C-N 3.33Å; H318-T320 PolarHBondContact O-N 3.42Å; H318-T320 VanDerWaalsContact O-N 3.11Å; T320-S322 PolarHBondContact O-N 3.38Å
321	T	50.3	Low	50.4	Low	63 Å²	63	99.3 Å²	99.3	39%	0.387	53%	0.529	S	S	.	.			trans	-60.3	129.5	164.1	-45	0	0	0	0	106.9	H319 E325	H319-T321 VanDerWaalsContact C-N 3.33Å; H319-T321 PolarHBondContact O-N 3.42Å; T321-E325 HydrophobicContact CG2-CB 3.58Å
322	S	53.9	Low	53.4	Low	54 Å²	54	101 Å²	101	38%	0.378	53%	0.53	S	S	.	.			trans	-65.6	151.9	-179.9	67.3	0	0	0	0	110.5	T320 S324 E325 Y326	T320-S322 PolarHBondContact O-N 3.38Å; S322-S324 PolarHBondContact O-N 3.02Å; S322-S324 VanDerWaalsContact O-N 3.17Å; S322-E325 PolarHBondContact N-OE2 3.28Å; S322-E325 WeakPolarHBondContact O-CB 3.35Å; S322-E325 PolarHBondContact O-N 3.16Å; S322-E325 VanDerWaalsContact OG-CG 3.22Å; S322-E325 WeakPolarHBondContact OG-CG 3.36Å; S322-E325 PolarHBondContact OG-OE2 2.94Å; S322-Y326 PolarHBondContact O-N 2.94Å; S322-Y326 VanDerWaalsContact O-N 3.1Å
323	K	54.7	Low	56.6	Low	81 Å²	81	97.6 Å²	97.6	35%	0.352	51%	0.51	S	S	.	.	H	α-helix	trans	-52.7	-38.6	-178.6	178.1	172	165.2	-172.7	0	112.7	I293 E302 Y326 F327	I293-K323 HydrophobicContact CD1-CD 3.58Å; I293-K323 HydrophobicContact CD1-CG 3.76Å; I293-K323 HydrophobicContact CG1-CD 4.04Å; E302-K323 IonicContact OE1-NZ 2.79Å; E302-K323 PolarHBondContact OE1-NZ 3.06Å; K323-Y326 PolarHBondContact O-N 2.86Å; K323-F327 HydrophobicContact CG-CD2 4.16Å; K323-F327 HydrophobicContact CG-CE2 3.85Å; K323-F327 WeakPolarHBondContact O-CD2 3.37Å; K323-F327 PolarHBondContact O-N 2.81Å
324	S	57.7	Low	59.7	Low	75 Å²	75	89.8 Å²	89.8	52%	0.524	47%	0.469	S	S	.	.	H	α-helix	trans	-69	-42.9	177.5	86.5	0	0	0	0	111.6	S322 Y326 F327 D328	S322-S324 PolarHBondContact O-N 3.02Å; S322-S324 VanDerWaalsContact O-N 3.17Å; S324-Y326 PolarHBondContact O-N 3.46Å; S324-F327 PolarHBondContact O-N 2.9Å; S324-F327 VanDerWaalsContact O-N 3.16Å; S324-D328 PolarHBondContact O-N 2.64Å
325	E	65.5	Low	62.6	Low	103 Å²	103	89.5 Å²	89.5	48%	0.481	46%	0.459	S	S	.	.	H	α-helix	trans	-62.9	-26.4	178	-73.8	169.9	151.4	0	0	113.1	T321 S322 Q329	T321-E325 HydrophobicContact CG2-CB 3.58Å; S322-E325 PolarHBondContact N-OE2 3.28Å; S322-E325 WeakPolarHBondContact O-CB 3.35Å; S322-E325 PolarHBondContact O-N 3.16Å; S322-E325 VanDerWaalsContact OG-CG 3.22Å; S322-E325 WeakPolarHBondContact OG-CG 3.36Å; S322-E325 PolarHBondContact OG-OE2 2.94Å; E325-Q329 WeakPolarHBondContact O-CG 3.26Å; E325-Q329 PolarHBondContact O-NE2 2.93Å
326	Y	70.5	Confident	65.6	Low	14 Å²	14	85.1 Å²	85.1	6%	0.055	44%	0.442	C	S	.	.	H	α-helix	trans	-71.7	-48.8	171.8	-179.1	-95.7	0	0	0	112	R236 I247 D287 T290 S322 K323 S324 D328 Q329 I330	R236-Y326 PolarHBondContact NH1-OH 3.11Å; R236-Y326 VanDerWaalsContact NH1-OH 3.08Å; R236-Y326 PolarHBondContact NH2-OH 2.81Å; R236-Y326 VanDerWaalsContact NH2-OH 3.13Å; I247-Y326 HydrophobicContact CD1-CD2 3.78Å; I247-Y326 HydrophobicContact CD1-CE2 3.3Å; I247-Y326 HydrophobicContact CG1-CE2 4.09Å; D287-Y326 WeakPolarHBondContact O-CE1 3.32Å; D287-Y326 PolarHBondContact O-OH 2.8Å; T290-Y326 PolarHBondContact O-OH 3.33Å; S322-Y326 PolarHBondContact O-N 2.94Å; S322-Y326 VanDerWaalsContact O-N 3.1Å; K323-Y326 PolarHBondContact O-N 2.86Å; S324-Y326 PolarHBondContact O-N 3.46Å; Y326-D328 PolarHBondContact O-N 3.5Å; Y326-Q329 WeakPolarHBondContact O-CA 3.14Å; Y326-Q329 VanDerWaalsContact O-CB 3.26Å; Y326-Q329 WeakPolarHBondContact O-CB 3.49Å; Y326-Q329 PolarHBondContact O-N 3Å; Y326-I330 HydrophobicContact CD1-CD1 3.92Å; Y326-I330 HydrophobicContact CE1-CD1 3.45Å; Y326-I330 VanDerWaalsContact CE1-CD1 3.45Å; Y326-I330 HydrophobicContact CE1-CG1 4.47Å
327	F	66.7	Low	68.7	Low	51 Å²	51	79.3 Å²	79.3	22%	0.224	42%	0.415	C	S	.	.	H	α-helix	trans	-67.1	-27.6	179	-73.4	-65.6	0	0	0	112.9	I293 K323 S324 Q329 I330 F335	I293-F327 HydrophobicContact CD1-CE2 3.42Å; I293-F327 VanDerWaalsContact CD1-CE2 3.42Å; I293-F327 HydrophobicContact CD1-CZ 3.54Å; K323-F327 HydrophobicContact CG-CD2 4.16Å; K323-F327 HydrophobicContact CG-CE2 3.85Å; K323-F327 WeakPolarHBondContact O-CD2 3.37Å; K323-F327 PolarHBondContact O-N 2.81Å; S324-F327 PolarHBondContact O-N 2.9Å; S324-F327 VanDerWaalsContact O-N 3.16Å; F327-Q329 PolarHBondContact O-N 3.01Å; F327-Q329 VanDerWaalsContact O-N 3.17Å; F327-I330 HydrophobicContact CD1-CD1 3.73Å; F327-I330 HydrophobicContact CE1-CD1 4.11Å; F327-I330 PolarHBondContact O-N 3.02Å; F327-F335 AromaticContact CD1-CD2 3.71Å; F327-F335 HydrophobicContact CD1-CD2 3.71Å; F327-F335 AromaticContact CD1-CE2 3.48Å; F327-F335 HydrophobicContact CD1-CE2 3.48Å; F327-F335 VanDerWaalsContact CD1-CE2 3.48Å; F327-F335 HydrophobicContact CD1-CZ 4.39Å; F327-F335 AromaticContact CE1-CD2 3.9Å; F327-F335 HydrophobicContact CE1-CD2 3.9Å; F327-F335 AromaticContact CE1-CE2 3.39Å; F327-F335 HydrophobicContact CE1-CE2 3.39Å; F327-F335 HydrophobicContact CE1-CZ 4.4Å; F327-F335 HydrophobicContact CG-CE2 4.4Å; F327-F335 HydrophobicContact CZ-CE2 4.23Å
328	D	74.4	Confident	71.7	Confident	113 Å²	113	71.9 Å²	71.9	60%	0.604	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.3	171.1	-65.9	-25.1	0	0	0	112.6	S324 Y326	S324-D328 PolarHBondContact O-N 2.64Å; Y326-D328 PolarHBondContact O-N 3.5Å
329	Q	81	Confident	73.9	Confident	49 Å²	49	69.8 Å²	69.8	23%	0.229	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.5	172.4	-62.9	170.5	64.4	0	0	113.4	N245 I247 T250 E325 Y326 F327	N245-Q329 PolarHBondContact ND2-OE1 3.23Å; I247-Q329 HydrophobicContact CD1-CB 3.9Å; T250-Q329 WeakPolarHBondContact CA-O 3.45Å; T250-Q329 WeakPolarHBondContact CB-O 3.34Å; T250-Q329 PolarHBondContact OG1-O 3.01Å; E325-Q329 WeakPolarHBondContact O-CG 3.26Å; E325-Q329 PolarHBondContact O-NE2 2.93Å; Y326-Q329 WeakPolarHBondContact O-CA 3.14Å; Y326-Q329 VanDerWaalsContact O-CB 3.26Å; Y326-Q329 WeakPolarHBondContact O-CB 3.49Å; Y326-Q329 PolarHBondContact O-N 3Å; F327-Q329 PolarHBondContact O-N 3.01Å; F327-Q329 VanDerWaalsContact O-N 3.17Å
330	I	85.8	Confident	75.9	Confident	3 Å²	3	65.5 Å²	65.5	2%	0.015	35%	0.348	C	S	.	.	S	Bend	trans	-104.4	140.4	176.5	-72.7	159.7	0	0	0	109.1	I247 M288 Y326 F327 P332 F335	I247-I330 HydrophobicContact CG2-CG1 4.34Å; M288-I330 HydrophobicContact CE-CB 4.08Å; M288-I330 HydrophobicContact CE-CD1 3.3Å; M288-I330 HydrophobicContact CE-CG1 3.55Å; M288-I330 HydrophobicContact CE-CG2 3.36Å; M288-I330 HydrophobicContact SD-CD1 4.25Å; M288-I330 HydrophobicContact SD-CG2 3.85Å; Y326-I330 HydrophobicContact CD1-CD1 3.92Å; Y326-I330 HydrophobicContact CE1-CD1 3.45Å; Y326-I330 VanDerWaalsContact CE1-CD1 3.45Å; Y326-I330 HydrophobicContact CE1-CG1 4.47Å; F327-I330 HydrophobicContact CD1-CD1 3.73Å; F327-I330 HydrophobicContact CE1-CD1 4.11Å; F327-I330 PolarHBondContact O-N 3.02Å; I330-P332 WeakPolarHBondContact O-CD 3.36Å; I330-F335 HydrophobicContact CG2-CB 3.84Å
331	D	89.3	Confident	77.8	Confident	39 Å²	39	62.1 Å²	62.1	21%	0.209	32%	0.321	C	S	.	.			trans	-58.1	121.1	171.3	-173.7	-70.1	0	0	0	111.7	T249 P251 Y333 I334 F335	T249-D331 WeakPolarHBondContact O-CB 3.49Å; T249-D331 PolarHBondContact O-N 2.76Å; P251-D331 HydrophobicContact CG-CB 4.31Å; D331-Y333 PolarHBondContact O-N 2.81Å; D331-Y333 WeakPolarHBondContact OD1-CA 3.28Å; D331-Y333 WeakPolarHBondContact OD1-CB 3.48Å; D331-Y333 PolarHBondContact OD1-N 2.78Å; D331-I334 HydrophobicContact CB-CB 4.12Å; D331-I334 HydrophobicContact CB-CD1 3.9Å; D331-I334 HydrophobicContact CB-CG1 3.9Å; D331-I334 PolarHBondContact O-N 3.13Å; D331-I334 VanDerWaalsContact O-N 3.07Å; D331-I334 PolarHBondContact OD1-N 2.7Å; D331-F335 PolarHBondContact O-N 3.24Å
332	P	89.1	Confident	78.9	Confident	85 Å²	85	59.6 Å²	59.6	55%	0.552	31%	0.306	S	S	*	.	H	α-helix	trans	-60.5	-29.3	-176.2	-26.2	34.7	0	0	0	114.1	I330 N336	I330-P332 WeakPolarHBondContact O-CD 3.36Å; P332-N336 WeakPolarHBondContact O-CB 3.37Å; P332-N336 PolarHBondContact O-N 3.39Å; P332-N336 PolarHBondContact O-ND2 3.18Å
333	Y	91.8	Very high	79.5	Confident	133 Å²	133	60.8 Å²	60.8	52%	0.522	31%	0.308	S	S	.	.	H	α-helix	trans	-69.7	-46.8	175.3	177.8	-96.5	0	0	0	110.3	D331 F335 N336 A337	D331-Y333 PolarHBondContact O-N 2.81Å; D331-Y333 WeakPolarHBondContact OD1-CA 3.28Å; D331-Y333 WeakPolarHBondContact OD1-CB 3.48Å; D331-Y333 PolarHBondContact OD1-N 2.78Å; Y333-F335 VanDerWaalsContact C-N 3.35Å; Y333-F335 PolarHBondContact O-N 3.08Å; Y333-N336 PolarHBondContact O-N 2.82Å; Y333-A337 VanDerWaalsContact O-CB 3.31Å; Y333-A337 WeakPolarHBondContact O-CB 3.29Å; Y333-A337 PolarHBondContact O-N 3.34Å
334	I	92.6	Very high	79.5	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-60.3	-46.5	176	-62	-178.2	0	0	0	110.3	T249 A284 D331 N336 A337 L338 A361 L365	T249-I334 HydrophobicContact CG2-CD1 3.93Å; T249-I334 HydrophobicContact CG2-CG2 4.03Å; A284-I334 HydrophobicContact CB-CG2 4.24Å; D331-I334 HydrophobicContact CB-CB 4.12Å; D331-I334 HydrophobicContact CB-CD1 3.9Å; D331-I334 HydrophobicContact CB-CG1 3.9Å; D331-I334 PolarHBondContact O-N 3.13Å; D331-I334 VanDerWaalsContact O-N 3.07Å; D331-I334 PolarHBondContact OD1-N 2.7Å; I334-N336 PolarHBondContact O-N 3.43Å; I334-A337 PolarHBondContact O-N 3.31Å; I334-L338 HydrophobicContact CG2-CD1 3.74Å; I334-L338 HydrophobicContact CG2-CG 4.31Å; I334-L338 WeakPolarHBondContact O-CB 3.3Å; I334-L338 PolarHBondContact O-N 3.44Å; I334-A361 WeakPolarHBondContact CG1-O 3.19Å; I334-L365 HydrophobicContact CD1-CB 4.29Å; I334-L365 HydrophobicContact CD1-CD1 3.79Å
335	F	89.6	Confident	79.3	Confident	69 Å²	69	62.7 Å²	62.7	30%	0.303	32%	0.319	S	S	.	.	H	α-helix	trans	-55.2	-52.6	177	178.9	-98.9	0	0	0	111.4	M288 F327 I330 D331 Y333 A337 L338 K339	M288-F335 HydrophobicContact SD-CB 4.33Å; M288-F335 HydrophobicContact SD-CD2 3.96Å; F327-F335 AromaticContact CD1-CD2 3.71Å; F327-F335 HydrophobicContact CD1-CD2 3.71Å; F327-F335 AromaticContact CD1-CE2 3.48Å; F327-F335 HydrophobicContact CD1-CE2 3.48Å; F327-F335 VanDerWaalsContact CD1-CE2 3.48Å; F327-F335 HydrophobicContact CD1-CZ 4.39Å; F327-F335 AromaticContact CE1-CD2 3.9Å; F327-F335 HydrophobicContact CE1-CD2 3.9Å; F327-F335 AromaticContact CE1-CE2 3.39Å; F327-F335 HydrophobicContact CE1-CE2 3.39Å; F327-F335 HydrophobicContact CE1-CZ 4.4Å; F327-F335 HydrophobicContact CG-CE2 4.4Å; F327-F335 HydrophobicContact CZ-CE2 4.23Å; I330-F335 HydrophobicContact CG2-CB 3.84Å; D331-F335 PolarHBondContact O-N 3.24Å; Y333-F335 VanDerWaalsContact C-N 3.35Å; Y333-F335 PolarHBondContact O-N 3.08Å; F335-A337 VanDerWaalsContact C-N 3.3Å; F335-A337 PolarHBondContact O-N 3.2Å; F335-L338 PolarHBondContact O-N 2.76Å; F335-K339 HydrophobicContact CE1-CD 4.36Å; F335-K339 VanDerWaalsContact O-CB 3.3Å; F335-K339 WeakPolarHBondContact O-CB 3.31Å; F335-K339 PolarHBondContact O-N 2.89Å
336	N	90	Very high	78.3	Confident	89 Å²	89	65.6 Å²	65.6	48%	0.476	34%	0.337	S	S	.	.	H	α-helix	trans	-64.8	-34.3	-178.7	-80.6	-52.8	0	0	0	113.2	P332 Y333 I334 K339	P332-N336 WeakPolarHBondContact O-CB 3.37Å; P332-N336 PolarHBondContact O-N 3.39Å; P332-N336 PolarHBondContact O-ND2 3.18Å; Y333-N336 PolarHBondContact O-N 2.82Å; I334-N336 PolarHBondContact O-N 3.43Å; N336-K339 PolarHBondContact OD1-NZ 2.86Å
337	A	91.2	Very high	77.7	Confident	31 Å²	31	73.8 Å²	73.8	26%	0.256	37%	0.373	S	S	.	.	H	α-helix	trans	-74	-31.9	178.9	0	0	0	0	0	113	Y333 I334 F335 Y341 A361	Y333-A337 VanDerWaalsContact O-CB 3.31Å; Y333-A337 WeakPolarHBondContact O-CB 3.29Å; Y333-A337 PolarHBondContact O-N 3.34Å; I334-A337 PolarHBondContact O-N 3.31Å; F335-A337 VanDerWaalsContact C-N 3.3Å; F335-A337 PolarHBondContact O-N 3.2Å; A337-Y341 WeakPolarHBondContact O-CD2 3.44Å; A337-A361 HydrophobicContact CB-CB 3.63Å
338	L	89.6	Confident	77.8	Confident	0 Å²	0	79.4 Å²	79.4	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-107.7	-12.9	-171.7	-62	-174.5	0	0	0	115	A284 M288 I334 F335 D340 Y341 C342 V357 A361	A284-L338 HydrophobicContact CB-CD1 3.99Å; M288-L338 HydrophobicContact CG-CB 4.01Å; I334-L338 HydrophobicContact CG2-CD1 3.74Å; I334-L338 HydrophobicContact CG2-CG 4.31Å; I334-L338 WeakPolarHBondContact O-CB 3.3Å; I334-L338 PolarHBondContact O-N 3.44Å; F335-L338 PolarHBondContact O-N 2.76Å; L338-D340 VanDerWaalsContact C-N 3.25Å; L338-D340 PolarHBondContact O-N 3.27Å; L338-D340 VanDerWaalsContact O-N 3.11Å; L338-Y341 WeakPolarHBondContact O-CA 3.42Å; L338-Y341 PolarHBondContact O-N 2.7Å; L338-C342 PolarHBondContact O-N 3.4Å; L338-C342 PolarHBondContact O-SG 3.35Å; L338-V357 HydrophobicContact CD2-CG1 3.85Å; L338-A361 HydrophobicContact CD1-CB 4.2Å; L338-A361 HydrophobicContact CD2-CB 3.71Å; L338-A361 HydrophobicContact CG-CB 3.79Å
339	K	85.3	Confident	77.7	Confident	90 Å²	90	76 Å²	76	39%	0.391	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-50.6	-40.3	-175.4	62.9	-173.9	178.7	-170.4	0	114.4	F335 N336 Y341	F335-K339 HydrophobicContact CE1-CD 4.36Å; F335-K339 VanDerWaalsContact O-CB 3.3Å; F335-K339 WeakPolarHBondContact O-CB 3.31Å; F335-K339 PolarHBondContact O-N 2.89Å; N336-K339 PolarHBondContact OD1-NZ 2.86Å; K339-Y341 VanDerWaalsContact C-N 3.3Å; K339-Y341 PolarHBondContact O-N 3.16Å
340	D	82.5	Confident	77.6	Confident	100 Å²	100	76.8 Å²	76.8	54%	0.535	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-81.5	-9.9	-178.7	-61.6	-46.3	0	0	0	113.4	L338	L338-D340 VanDerWaalsContact C-N 3.25Å; L338-D340 PolarHBondContact O-N 3.27Å; L338-D340 VanDerWaalsContact O-N 3.11Å
341	Y	81.8	Confident	77.4	Confident	58 Å²	58	80 Å²	80	23%	0.227	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-102.1	2.3	179.8	-62.1	-91.3	0	0	0	112.7	Q285 A337 L338 K339 I349 V357	Q285-Y341 PolarHBondContact NE2-O 3.05Å; A337-Y341 WeakPolarHBondContact O-CD2 3.44Å; L338-Y341 WeakPolarHBondContact O-CA 3.42Å; L338-Y341 PolarHBondContact O-N 2.7Å; K339-Y341 VanDerWaalsContact C-N 3.3Å; K339-Y341 PolarHBondContact O-N 3.16Å; Y341-I349 HydrophobicContact CD1-CD1 3.67Å; Y341-I349 HydrophobicContact CD1-CG2 4.27Å; Y341-I349 HydrophobicContact CE1-CD1 4.48Å; Y341-I349 HydrophobicContact CG-CD1 4.3Å; Y341-V357 HydrophobicContact CD1-CG1 4.5Å; Y341-V357 HydrophobicContact CD1-CG2 4.44Å; Y341-V357 HydrophobicContact CD2-CG1 3.85Å; Y341-V357 HydrophobicContact CE1-CB 4.34Å; Y341-V357 HydrophobicContact CE1-CG1 4.38Å; Y341-V357 HydrophobicContact CE1-CG2 3.79Å; Y341-V357 HydrophobicContact CE2-CB 4.48Å; Y341-V357 HydrophobicContact CE2-CG1 3.69Å; Y341-V357 HydrophobicContact CE2-CG2 4.26Å; Y341-V357 HydrophobicContact CG-CG1 4.27Å
342	C	74.7	Confident	77.2	Confident	11 Å²	11	88.3 Å²	88.3	7%	0.074	44%	0.436	C	S	.	.			trans	-113.4	-2	-174.3	-63.5	0	0	0	0	113.8	M288 R289 L338 P344	M288-C342 HydrophobicContact CB-CB 3.83Å; M288-C342 WeakPolarHBondContact CB-SG 3.47Å; R289-C342 HydrophobicContact CG-CB 3.96Å; R289-C342 WeakPolarHBondContact CG-O 3.23Å; L338-C342 PolarHBondContact O-N 3.4Å; L338-C342 PolarHBondContact O-SG 3.35Å; C342-P344 WeakPolarHBondContact O-CD 3.31Å
343	L	66.1	Low	77.2	Confident	79 Å²	79	89 Å²	89	41%	0.414	43%	0.432	S	S	.	.			trans	-67.3	124.3	176.8	-61	171	0	0	0	110
344	P	54.8	Low	76.9	Confident	50 Å²	50	83 Å²	83	33%	0.325	41%	0.409	S	S	.	.			trans	-72.7	134.2	167	28.5	-34.7	0	0	0	109.3	V294 C342	V294-P344 HydrophobicContact CB-CG 3.7Å; V294-P344 VanDerWaalsContact CG1-CD 3.47Å; V294-P344 HydrophobicContact CG1-CG 3.54Å; V294-P344 HydrophobicContact CG2-CB 4.34Å; V294-P344 VanDerWaalsContact CG2-CD 3.4Å; V294-P344 HydrophobicContact CG2-CG 2.91Å; C342-P344 WeakPolarHBondContact O-CD 3.31Å
345	D	52.5	Low	76.9	Confident	146 Å²	146	83.5 Å²	83.5	78%	0.781	41%	0.412	S	S	*	.	S	Bend	trans	61.2	82	162.3	-49.1	-29.4	0	0	0	113.7
346	D	46	Very low	77	Confident	163 Å²	163	84.4 Å²	84.4	87%	0.872	42%	0.423	S	S	*	.	S	Bend		-158.4	2.1	103.2	-95.6	-25.5	0	0	0	114.8
347	K	57.2	Low	77.2	Confident	186 Å²	186	81.6 Å²	81.6	81%	0.809	41%	0.409	S	S	*	.			trans	-122.8	109.9	177.9	-71.3	-175.6	-179.6	179.8	0	110.2	I349	K347-I349 PolarHBondContact O-N 2.95Å
348	H	68.8	Low	77.3	Confident	169 Å²	169	80.1 Å²	80.1	78%	0.782	40%	0.397	S	S	*	.			trans	-61.4	101.3	164.9	-175.5	71.2	0	0	0	108.2	P350	H348-P350 WeakPolarHBondContact O-CD 3.33Å
349	I	71.2	Confident	77.6	Confident	42 Å²	42	81.4 Å²	81.4	22%	0.215	40%	0.403	C	S	.	.			trans	-79.9	119.6	173.7	-55	-178.5	0	0	0	106.4	Y341 K347 D351 Q353 L354	Y341-I349 HydrophobicContact CD1-CD1 3.67Å; Y341-I349 HydrophobicContact CD1-CG2 4.27Å; Y341-I349 HydrophobicContact CE1-CD1 4.48Å; Y341-I349 HydrophobicContact CG-CD1 4.3Å; K347-I349 PolarHBondContact O-N 2.95Å; I349-D351 PolarHBondContact O-N 2.68Å; I349-Q353 HydrophobicContact CG2-CB 4.23Å; I349-Q353 HydrophobicContact CG2-CG 4.38Å; I349-L354 HydrophobicContact CG2-CB 4.1Å
350	P	80.2	Confident	78.1	Confident	65 Å²	65	84 Å²	84	42%	0.422	42%	0.415	S	S	.	.			trans	-55.9	134.6	177.4	-24.2	33.7	0	0	0	110.7	H348 R352 Q353 L354	H348-P350 WeakPolarHBondContact O-CD 3.33Å; P350-R352 PolarHBondContact O-N 3.26Å; P350-Q353 HydrophobicContact CB-CB 4.5Å; P350-Q353 WeakPolarHBondContact O-CA 3.24Å; P350-Q353 WeakPolarHBondContact O-CB 3.21Å; P350-Q353 PolarHBondContact O-N 3.45Å; P350-L354 PolarHBondContact O-N 2.94Å; P350-L354 VanDerWaalsContact O-N 3.07Å
351	D	81	Confident	78.7	Confident	71 Å²	71	79.4 Å²	79.4	38%	0.38	39%	0.391	S	S	.	.	H	α-helix	trans	-52.4	-37.6	-174.9	-80	-37.5	0	0	0	112.7	R225 I349 Q353 L354 D355	R225-D351 IonicContact NH1-OD1 2.92Å; R225-D351 PolarHBondContact NH1-OD1 2.94Å; I349-D351 PolarHBondContact O-N 2.68Å; D351-Q353 PolarHBondContact O-N 2.99Å; D351-L354 PolarHBondContact O-N 3.48Å; D351-D355 WeakPolarHBondContact O-CB 3.18Å; D351-D355 PolarHBondContact O-N 3.35Å
352	R	86.1	Confident	79.4	Confident	213 Å²	213	76.7 Å²	76.7	80%	0.804	38%	0.38	S	S	*	.	H	α-helix	trans	-64.5	-38	177.9	-170.9	175.6	-178.9	159.9	0.7	113.2	P350 T356	P350-R352 PolarHBondContact O-N 3.26Å; R352-T356 PolarHBondContact O-N 3.12Å; R352-T356 PolarHBondContact O-OG1 2.77Å
353	Q	88	Confident	80.4	Confident	100 Å²	100	80 Å²	80	47%	0.467	40%	0.395	S	S	.	.	H	α-helix	trans	-69.1	-44.7	176.5	-175.2	-179.4	8.5	0	0	109.8	I349 P350 D351 T356 V357	I349-Q353 HydrophobicContact CG2-CB 4.23Å; I349-Q353 HydrophobicContact CG2-CG 4.38Å; P350-Q353 HydrophobicContact CB-CB 4.5Å; P350-Q353 WeakPolarHBondContact O-CA 3.24Å; P350-Q353 WeakPolarHBondContact O-CB 3.21Å; P350-Q353 PolarHBondContact O-N 3.45Å; D351-Q353 PolarHBondContact O-N 2.99Å; Q353-T356 PolarHBondContact O-N 3.1Å; Q353-V357 WeakPolarHBondContact O-CG2 3.23Å; Q353-V357 PolarHBondContact O-N 2.83Å; Q353-V357 VanDerWaalsContact O-N 3.17Å
354	L	86.7	Confident	81.8	Confident	6 Å²	6	82.4 Å²	82.4	3%	0.031	41%	0.407	C	S	.	.	H	α-helix	trans	-59	-50.4	177	177.2	60.5	0	0	0	111.3	I349 P350 D351 T356 V357 C358	I349-L354 HydrophobicContact CG2-CB 4.1Å; P350-L354 PolarHBondContact O-N 2.94Å; P350-L354 VanDerWaalsContact O-N 3.07Å; D351-L354 PolarHBondContact O-N 3.48Å; L354-T356 VanDerWaalsContact C-N 3.27Å; L354-T356 PolarHBondContact O-N 3.04Å; L354-V357 PolarHBondContact O-N 3.18Å; L354-C358 VanDerWaalsContact O-CB 3.27Å; L354-C358 WeakPolarHBondContact O-CB 3.44Å; L354-C358 PolarHBondContact O-N 2.91Å
355	D	91.2	Very high	83.7	Confident	16 Å²	16	80.9 Å²	80.9	9%	0.086	40%	0.396	C	S	.	.	H	α-helix	trans	-53.8	-45.8	177.4	-80.7	-8.4	0	0	0	111.2	K278 W282 D351 V357 C358 L359	K278-D355 WeakPolarHBondContact CD-OD2 3.24Å; K278-D355 WeakPolarHBondContact CE-OD2 3.37Å; K278-D355 IonicContact NZ-OD2 2.72Å; K278-D355 PolarHBondContact NZ-OD2 3.04Å; W282-D355 PolarHBondContact NE1-OD1 2.88Å; D351-D355 WeakPolarHBondContact O-CB 3.18Å; D351-D355 PolarHBondContact O-N 3.35Å; D355-V357 VanDerWaalsContact C-N 3.35Å; D355-V357 PolarHBondContact O-N 3.27Å; D355-C358 PolarHBondContact O-N 3.32Å; D355-L359 VanDerWaalsContact O-CB 3.28Å; D355-L359 WeakPolarHBondContact O-CB 3.44Å; D355-L359 WeakPolarHBondContact O-CD1 3.29Å; D355-L359 WeakPolarHBondContact O-CG 3.49Å; D355-L359 PolarHBondContact O-N 3.45Å
356	T	93.1	Very high	85.8	Confident	88 Å²	88	74.7 Å²	74.7	54%	0.54	36%	0.362	S	S	.	.	H	α-helix	trans	-60.5	-44.7	-178.8	-58	0	0	0	0	111.9	R352 Q353 L354 K360	R352-T356 PolarHBondContact O-N 3.12Å; R352-T356 PolarHBondContact O-OG1 2.77Å; Q353-T356 PolarHBondContact O-N 3.1Å; L354-T356 VanDerWaalsContact C-N 3.27Å; L354-T356 PolarHBondContact O-N 3.04Å; T356-K360 PolarHBondContact O-N 2.79Å
357	V	92.9	Very high	88.2	Confident	29 Å²	29	74 Å²	74	18%	0.176	35%	0.347	C	S	.	.	H	α-helix	trans	-70.1	-45.6	-179.8	177.9	0	0	0	0	110.7	L338 Y341 Q353 L354 D355 L359 K360 A361	L338-V357 HydrophobicContact CD2-CG1 3.85Å; Y341-V357 HydrophobicContact CD1-CG1 4.5Å; Y341-V357 HydrophobicContact CD1-CG2 4.44Å; Y341-V357 HydrophobicContact CD2-CG1 3.85Å; Y341-V357 HydrophobicContact CE1-CB 4.34Å; Y341-V357 HydrophobicContact CE1-CG1 4.38Å; Y341-V357 HydrophobicContact CE1-CG2 3.79Å; Y341-V357 HydrophobicContact CE2-CB 4.48Å; Y341-V357 HydrophobicContact CE2-CG1 3.69Å; Y341-V357 HydrophobicContact CE2-CG2 4.26Å; Y341-V357 HydrophobicContact CG-CG1 4.27Å; Q353-V357 WeakPolarHBondContact O-CG2 3.23Å; Q353-V357 PolarHBondContact O-N 2.83Å; Q353-V357 VanDerWaalsContact O-N 3.17Å; L354-V357 PolarHBondContact O-N 3.18Å; D355-V357 VanDerWaalsContact C-N 3.35Å; D355-V357 PolarHBondContact O-N 3.27Å; V357-L359 VanDerWaalsContact C-N 3.35Å; V357-L359 PolarHBondContact O-N 3.33Å; V357-K360 PolarHBondContact O-N 3.37Å; V357-A361 WeakPolarHBondContact O-CB 3.47Å; V357-A361 PolarHBondContact O-N 3.46Å
358	C	93.8	Very high	90	Very high	1 Å²	1	70.7 Å²	70.7	1%	0.007	33%	0.33	C	S	.	.	H	α-helix	trans	-57.5	-44.9	176.2	-84.4	0	0	0	0	112.3	G281 L354 D355 K360 A361 T362	G281-C358 PolarHBondContact O-SG 3.21Å; L354-C358 VanDerWaalsContact O-CB 3.27Å; L354-C358 WeakPolarHBondContact O-CB 3.44Å; L354-C358 PolarHBondContact O-N 2.91Å; D355-C358 PolarHBondContact O-N 3.32Å; C358-K360 VanDerWaalsContact C-N 3.34Å; C358-K360 PolarHBondContact O-N 3.23Å; C358-A361 PolarHBondContact O-N 3.45Å; C358-T362 WeakPolarHBondContact O-CB 3.36Å; C358-T362 WeakPolarHBondContact O-CG2 3.46Å; C358-T362 PolarHBondContact O-N 3.31Å; C358-T362 PolarHBondContact O-OG1 3.44Å
359	L	95.5	Very high	91.2	Very high	26 Å²	26	63.1 Å²	63.1	14%	0.136	30%	0.295	C	S	.	.	H	α-helix	trans	-60	-43.8	177.3	-74.1	170.1	0	0	0	111.8	Q277 K278 D355 V357 E363	Q277-L359 HydrophobicContact CB-CD2 3.74Å; Q277-L359 VanDerWaalsContact CD-CD2 3.46Å; Q277-L359 HydrophobicContact CG-CD2 3.41Å; Q277-L359 VanDerWaalsContact CG-CD2 3.41Å; K278-L359 HydrophobicContact CG-CD1 4.43Å; K278-L359 HydrophobicContact CG-CD2 4.11Å; K278-L359 HydrophobicContact CG-CG 4.45Å; D355-L359 VanDerWaalsContact O-CB 3.28Å; D355-L359 WeakPolarHBondContact O-CB 3.44Å; D355-L359 WeakPolarHBondContact O-CD1 3.29Å; D355-L359 WeakPolarHBondContact O-CG 3.49Å; D355-L359 PolarHBondContact O-N 3.45Å; V357-L359 VanDerWaalsContact C-N 3.35Å; V357-L359 PolarHBondContact O-N 3.33Å; L359-E363 PolarHBondContact O-N 3.26Å
360	K	96	Very high	92.5	Very high	145 Å²	145	61.3 Å²	61.3	63%	0.63	29%	0.285	S	S	*	.	H	α-helix	trans	-68.9	-46.3	178.1	-173.7	177.3	-179.9	-179.8	0	111.8	T356 V357 C358 T362 E363	T356-K360 PolarHBondContact O-N 2.79Å; V357-K360 PolarHBondContact O-N 3.37Å; C358-K360 VanDerWaalsContact C-N 3.34Å; C358-K360 PolarHBondContact O-N 3.23Å; K360-T362 VanDerWaalsContact C-N 3.29Å; K360-T362 PolarHBondContact O-N 2.88Å; K360-E363 PolarHBondContact O-N 3.2Å
361	A	95	Very high	93.4	Very high	4 Å²	4	60.6 Å²	60.6	3%	0.033	28%	0.278	C	S	.	.	H	α-helix	trans	-61.7	-38.2	-178.5	0	0	0	0	0	112.2	I334 A337 L338 V357 C358	I334-A361 WeakPolarHBondContact CG1-O 3.19Å; A337-A361 HydrophobicContact CB-CB 3.63Å; L338-A361 HydrophobicContact CD1-CB 4.2Å; L338-A361 HydrophobicContact CD2-CB 3.71Å; L338-A361 HydrophobicContact CG-CB 3.79Å; V357-A361 WeakPolarHBondContact O-CB 3.47Å; V357-A361 PolarHBondContact O-N 3.46Å; C358-A361 PolarHBondContact O-N 3.45Å
362	T	96.3	Very high	94.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	8	-174.4	60.7	0	0	0	0	114.4	I280 A284 C358 K360 L364 L365 Y366	I280-T362 HydrophobicContact CG2-CG2 4.4Å; A284-T362 HydrophobicContact CB-CG2 3.46Å; A284-T362 VanDerWaalsContact CB-CG2 3.46Å; C358-T362 WeakPolarHBondContact O-CB 3.36Å; C358-T362 WeakPolarHBondContact O-CG2 3.46Å; C358-T362 PolarHBondContact O-N 3.31Å; C358-T362 PolarHBondContact O-OG1 3.44Å; K360-T362 VanDerWaalsContact C-N 3.29Å; K360-T362 PolarHBondContact O-N 2.88Å; T362-L364 PolarHBondContact O-N 3.44Å; T362-L365 PolarHBondContact O-N 2.96Å; T362-Y366 WeakPolarHBondContact O-CB 3.22Å; T362-Y366 PolarHBondContact O-N 3.39Å
363	E	96.5	Very high	94.7	Very high	81 Å²	81	48.7 Å²	48.7	38%	0.379	23%	0.232	S	C	.	.	H	α-helix	trans	-56.6	-48.5	-172.8	-179.4	172.5	-154.4	0	0	113.3	L359 K360 Y366 R367	L359-E363 PolarHBondContact O-N 3.26Å; K360-E363 PolarHBondContact O-N 3.2Å; E363-Y366 PolarHBondContact O-N 3Å; E363-R367 WeakPolarHBondContact O-CB 3.25Å; E363-R367 VanDerWaalsContact O-CG 3.31Å; E363-R367 WeakPolarHBondContact O-CG 3.16Å; E363-R367 PolarHBondContact O-N 2.93Å; E363-R367 IonicContact OE1-CZ 3.78Å; E363-R367 IonicContact OE1-NE 3.73Å; E363-R367 PolarHBondContact OE1-NE 2.95Å; E363-R367 IonicContact OE1-NH2 2.73Å; E363-R367 PolarHBondContact OE1-NH2 3.21Å
364	L	94.8	Very high	95.2	Very high	129 Å²	129	44 Å²	44	68%	0.675	21%	0.211	S	C	*	.	H	α-helix	trans	-65.8	-40.6	-179.7	-176.5	64.4	0	0	0	111.7	T362 R367 R368	T362-L364 PolarHBondContact O-N 3.44Å; L364-R367 PolarHBondContact O-N 3.29Å; L364-R368 WeakPolarHBondContact O-CB 3.3Å; L364-R368 PolarHBondContact O-N 3.46Å
365	L	95	Very high	95.7	Very high	18 Å²	18	44.4 Å²	44.4	9%	0.094	21%	0.213	C	C	.	.	H	α-helix	trans	-65.2	-44.1	178	-176.8	148.2	0	0	0	111.2	I248 T249 M266 I280 I334 T362 R368 K369	I248-L365 HydrophobicContact CD1-CD2 4.32Å; I248-L365 VanDerWaalsContact O-CD1 3.32Å; I248-L365 WeakPolarHBondContact O-CD1 3.36Å; T249-L365 HydrophobicContact CG2-CD1 4.29Å; M266-L365 HydrophobicContact CE-CD2 3.66Å; I280-L365 HydrophobicContact CG2-CD2 3.22Å; I334-L365 HydrophobicContact CD1-CB 4.29Å; I334-L365 HydrophobicContact CD1-CD1 3.79Å; T362-L365 PolarHBondContact O-N 2.96Å; L365-R368 PolarHBondContact O-N 3.09Å; L365-K369 HydrophobicContact CG-CD 4.22Å; L365-K369 HydrophobicContact CG-CG 4.43Å; L365-K369 WeakPolarHBondContact O-CB 3.47Å; L365-K369 PolarHBondContact O-N 3.43Å
366	Y	96.9	Very high	96.1	Very high	17 Å²	17	43.7 Å²	43.7	7%	0.067	21%	0.209	C	C	.	.	H	α-helix	trans	-58.7	-50.1	173.1	165.8	-91	0	0	0	111.1	Q277 I280 T362 E363 R368 V370 D371 L374	Q277-Y366 HydrophobicContact CB-CD2 4.03Å; Q277-Y366 HydrophobicContact CB-CE2 3.8Å; Q277-Y366 HydrophobicContact CG-CD1 4.16Å; Q277-Y366 HydrophobicContact CG-CD2 3.71Å; Q277-Y366 HydrophobicContact CG-CE1 4.31Å; Q277-Y366 HydrophobicContact CG-CE2 3.82Å; Q277-Y366 HydrophobicContact CG-CG 3.89Å; I280-Y366 HydrophobicContact CG1-CD2 4.28Å; T362-Y366 WeakPolarHBondContact O-CB 3.22Å; T362-Y366 PolarHBondContact O-N 3.39Å; E363-Y366 PolarHBondContact O-N 3Å; Y366-R368 VanDerWaalsContact C-N 3.27Å; Y366-R368 PolarHBondContact O-N 3.41Å; Y366-V370 HydrophobicContact CD2-CB 4.02Å; Y366-V370 HydrophobicContact CD2-CG1 4.2Å; Y366-V370 HydrophobicContact CE2-CB 4.37Å; Y366-V370 HydrophobicContact CE2-CG1 4.2Å; Y366-V370 WeakPolarHBondContact O-CA 3.24Å; Y366-V370 WeakPolarHBondContact O-CB 3.3Å; Y366-V370 PolarHBondContact O-N 3.04Å; Y366-D371 HydrophobicContact CD1-CB 4.46Å; Y366-D371 HydrophobicContact CE1-CB 3.92Å; Y366-D371 WeakPolarHBondContact CE1-OD1 3.38Å; Y366-D371 PolarHBondContact O-N 3.49Å; Y366-D371 PolarHBondContact OH-OD1 2.97Å; Y366-L374 HydrophobicContact CE2-CD1 3.74Å; Y366-L374 WeakPolarHBondContact OH-CD1 3.38Å
367	R	96.3	Very high	96.3	Very high	148 Å²	148	39.8 Å²	39.8	56%	0.558	19%	0.186	S	C	*	.	H	α-helix	trans	-58.8	-38	179.8	-75.7	-179.6	-172.8	-173.8	1.9	112.4	E363 L364	E363-R367 WeakPolarHBondContact O-CB 3.25Å; E363-R367 VanDerWaalsContact O-CG 3.31Å; E363-R367 WeakPolarHBondContact O-CG 3.16Å; E363-R367 PolarHBondContact O-N 2.93Å; E363-R367 IonicContact OE1-CZ 3.78Å; E363-R367 IonicContact OE1-NE 3.73Å; E363-R367 PolarHBondContact OE1-NE 2.95Å; E363-R367 IonicContact OE1-NH2 2.73Å; E363-R367 PolarHBondContact OE1-NH2 3.21Å; L364-R367 PolarHBondContact O-N 3.29Å
368	R	94	Very high	96.6	Very high	117 Å²	117	40.2 Å²	40.2	44%	0.442	19%	0.185	S	C	.	.	H	α-helix	trans	-82.2	-50.2	-178.3	-177.3	61.5	65.5	178.4	4.6	113.1	W252 L364 L365 Y366	W252-R368 HydrophobicContact CD2-CG 3.97Å; W252-R368 HydrophobicContact CE3-CG 3.92Å; W252-R368 HydrophobicContact CG-CG 4.31Å; W252-R368 HydrophobicContact CZ3-CG 4.38Å; L364-R368 WeakPolarHBondContact O-CB 3.3Å; L364-R368 PolarHBondContact O-N 3.46Å; L365-R368 PolarHBondContact O-N 3.09Å; Y366-R368 VanDerWaalsContact C-N 3.27Å; Y366-R368 PolarHBondContact O-N 3.41Å
369	K	95.4	Very high	96.8	Very high	10 Å²	10	40.9 Å²	40.9	4%	0.043	19%	0.188	C	C	.	.	H	α-helix	trans	-92.7	-15.3	-167.5	-58.4	-161.5	172.1	-177.1	0	113.9	I248 T250 V263 D264 Y265 M266 L365	I248-K369 PolarHBondContact O-NZ 2.89Å; T250-K369 PolarHBondContact O-NZ 2.76Å; V263-K369 PolarHBondContact O-NZ 2.92Å; D264-K369 WeakPolarHBondContact O-CB 3.22Å; D264-K369 VanDerWaalsContact O-CD 3.28Å; D264-K369 WeakPolarHBondContact O-CD 3.18Å; D264-K369 WeakPolarHBondContact O-CG 3.39Å; Y265-K369 CarbonylContact C-O 3.47Å; Y265-K369 WeakPolarHBondContact CA-O 3.13Å; M266-K369 HydrophobicContact CE-CB 3.92Å; M266-K369 HydrophobicContact CE-CD 4.28Å; M266-K369 PolarHBondContact N-O 3.06Å; L365-K369 HydrophobicContact CG-CD 4.22Å; L365-K369 HydrophobicContact CG-CG 4.43Å; L365-K369 WeakPolarHBondContact O-CB 3.47Å; L365-K369 PolarHBondContact O-N 3.43Å
370	V	98	Very high	97	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.018	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.2	-45.7	-166.7	-169.5	0	0	0	0	113.6	M266 L268 V276 I280 Y366 P372 G373 L374	M266-V370 HydrophobicContact CB-CG2 4.15Å; M266-V370 HydrophobicContact CE-CG2 3.64Å; L268-V370 HydrophobicContact CD1-CG1 4.48Å; V276-V370 HydrophobicContact CG1-CG1 3.55Å; I280-V370 HydrophobicContact CD1-CG2 3.72Å; I280-V370 HydrophobicContact CG1-CG2 3.84Å; Y366-V370 HydrophobicContact CD2-CB 4.02Å; Y366-V370 HydrophobicContact CD2-CG1 4.2Å; Y366-V370 HydrophobicContact CE2-CB 4.37Å; Y366-V370 HydrophobicContact CE2-CG1 4.2Å; Y366-V370 WeakPolarHBondContact O-CA 3.24Å; Y366-V370 WeakPolarHBondContact O-CB 3.3Å; Y366-V370 PolarHBondContact O-N 3.04Å; V370-P372 VanDerWaalsContact C-N 3.33Å; V370-G373 WeakPolarHBondContact O-CA 3.29Å; V370-G373 PolarHBondContact O-N 3.08Å; V370-L374 HydrophobicContact CG1-CD1 4.22Å
371	D	98	Very high	97.1	Very high	50 Å²	50	32.7 Å²	32.7	27%	0.267	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-55.7	-35.8	-175.2	-158.9	66.9	0	0	0	115.1	Y366 G373 L374 K378	Y366-D371 HydrophobicContact CD1-CB 4.46Å; Y366-D371 HydrophobicContact CE1-CB 3.92Å; Y366-D371 WeakPolarHBondContact CE1-OD1 3.38Å; Y366-D371 PolarHBondContact O-N 3.49Å; Y366-D371 PolarHBondContact OH-OD1 2.97Å; D371-G373 PolarHBondContact O-N 2.98Å; D371-G373 VanDerWaalsContact O-N 3.13Å; D371-L374 PolarHBondContact O-N 2.67Å; D371-K378 IonicContact OD1-NZ 3.94Å; D371-K378 PolarHBondContact OD1-NZ 3.37Å; D371-K378 IonicContact OD2-NZ 2.74Å; D371-K378 PolarHBondContact OD2-NZ 3.33Å
372	P	97.3	Very high	97.3	Very high	31 Å²	31	32.7 Å²	32.7	20%	0.201	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-58.1	-25.2	173	-25.8	35.9	0	0	0	113.6	V370 S394 L395 N398	V370-P372 VanDerWaalsContact C-N 3.33Å; P372-S394 CarbonylContact O-C 3.58Å; P372-S394 VanDerWaalsContact O-O 3.09Å; P372-S394 PolarHBondContact O-OG 3.1Å; P372-L395 HydrophobicContact CB-CD1 4.05Å; P372-L395 PolarHBondContact O-N 2.97Å; P372-N398 HydrophobicContact CB-CB 4.38Å
373	G	97.9	Very high	97.4	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.031	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-83.4	2	176.2	0	0	0	0	0	114.9	V370 D371 C391 S394	V370-G373 WeakPolarHBondContact O-CA 3.29Å; V370-G373 PolarHBondContact O-N 3.08Å; D371-G373 PolarHBondContact O-N 2.98Å; D371-G373 VanDerWaalsContact O-N 3.13Å; G373-C391 WeakPolarHBondContact CA-O 3.43Å; G373-C391 WeakPolarHBondContact O-CA 3.1Å; G373-C391 WeakPolarHBondContact O-CB 3.4Å; G373-C391 PolarHBondContact O-SG 3.08Å; G373-S394 VanDerWaalsContact C-CB 3.48Å; G373-S394 VanDerWaalsContact C-OG 3.22Å; G373-S394 WeakPolarHBondContact O-CB 3.37Å
374	L	98.6	Very high	97.5	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-110.7	11	-170.1	-65.3	176	0	0	0	115.1	A270 T273 V276 Y366 V370 D371 F376 A377 K378 S394	A270-L374 HydrophobicContact CB-CD2 4.16Å; T273-L374 HydrophobicContact CG2-CB 4.3Å; T273-L374 HydrophobicContact CG2-CD1 4.39Å; T273-L374 HydrophobicContact CG2-CD2 4.46Å; V276-L374 HydrophobicContact CB-CD1 4.42Å; V276-L374 HydrophobicContact CB-CD2 4.43Å; V276-L374 HydrophobicContact CG1-CD1 4.19Å; V276-L374 HydrophobicContact CG1-CD2 4.25Å; V276-L374 HydrophobicContact CG2-CD2 4.19Å; Y366-L374 HydrophobicContact CE2-CD1 3.74Å; Y366-L374 WeakPolarHBondContact OH-CD1 3.38Å; V370-L374 HydrophobicContact CG1-CD1 4.22Å; D371-L374 PolarHBondContact O-N 2.67Å; L374-F376 PolarHBondContact O-N 3.22Å; L374-A377 HydrophobicContact CD2-CB 4.05Å; L374-A377 PolarHBondContact O-N 2.65Å; L374-K378 WeakPolarHBondContact O-CB 3.39Å; L374-K378 WeakPolarHBondContact O-CG 3.46Å; L374-K378 PolarHBondContact O-N 3.42Å; L374-S394 PolarHBondContact N-OG 2.74Å
375	M	98	Very high	97.7	Very high	15 Å²	15	22.9 Å²	22.9	7%	0.074	10%	0.102	C	C	.	.	H	α-helix	trans	-56.9	-52.6	-178.5	-175.7	-176.7	68.4	0	0	112.5	K378 N379 S394 L397 H451 L454 F455	M375-K378 PolarHBondContact O-N 3.08Å; M375-N379 PolarHBondContact O-N 3.04Å; M375-N379 PolarHBondContact O-ND2 3.25Å; M375-S394 WeakPolarHBondContact CB-OG 3.17Å; M375-S394 PolarHBondContact N-OG 3.23Å; M375-L397 HydrophobicContact CE-CD1 3.89Å; M375-H451 PolarHBondContact SD-CE1 2.87Å; M375-L454 HydrophobicContact CE-CD2 3.84Å; M375-L454 HydrophobicContact CG-CD2 3.88Å; M375-L454 HydrophobicContact SD-CD2 3.99Å; M375-F455 HydrophobicContact CG-CE2 4.33Å; M375-F455 HydrophobicContact CG-CZ 3.87Å; M375-F455 HydrophobicContact SD-CE2 3.75Å; M375-F455 HydrophobicContact SD-CZ 3.91Å
376	F	98.5	Very high	97.9	Very high	1 Å²	1	22 Å²	22	0%	0.004	10%	0.097	C	C	.	.	H	α-helix	trans	-70.5	-38.3	179.1	-64.8	-72.3	0	0	0	112.1	I24 F26 L374 K378 N379 I380 M383 A390 V393 L397 I450 L454	I24-F376 HydrophobicContact CD1-CD1 4.03Å; I24-F376 HydrophobicContact CD1-CD2 3.88Å; I24-F376 HydrophobicContact CD1-CE1 4.04Å; I24-F376 HydrophobicContact CD1-CE2 3.89Å; I24-F376 HydrophobicContact CD1-CG 3.96Å; I24-F376 HydrophobicContact CD1-CZ 3.97Å; I24-F376 HydrophobicContact CG2-CZ 4.28Å; F26-F376 HydrophobicContact CD1-CD1 4.1Å; F26-F376 AromaticContact CD1-CE1 3.88Å; F26-F376 HydrophobicContact CD1-CE1 3.88Å; F26-F376 HydrophobicContact CE1-CD1 4.1Å; F26-F376 AromaticContact CE1-CE1 3.44Å; F26-F376 HydrophobicContact CE1-CE1 3.44Å; F26-F376 VanDerWaalsContact CE1-CE1 3.44Å; F26-F376 HydrophobicContact CE1-CZ 4.34Å; F26-F376 HydrophobicContact CZ-CE1 4.24Å; L374-F376 PolarHBondContact O-N 3.22Å; F376-K378 PolarHBondContact O-N 2.88Å; F376-N379 PolarHBondContact O-N 2.94Å; F376-N379 VanDerWaalsContact O-N 3.13Å; F376-I380 HydrophobicContact CB-CG1 4.35Å; F376-I380 HydrophobicContact CD1-CG1 4.13Å; F376-I380 WeakPolarHBondContact O-CA 3.49Å; F376-I380 WeakPolarHBondContact O-CB 3.43Å; F376-I380 PolarHBondContact O-N 3.43Å; F376-M383 HydrophobicContact CB-CE 3.7Å; F376-A390 HydrophobicContact CB-CB 4.09Å; F376-A390 HydrophobicContact CD2-CB 4.31Å; F376-A390 WeakPolarHBondContact CD2-O 3.46Å; F376-A390 HydrophobicContact CG-CB 4.43Å; F376-V393 HydrophobicContact CE2-CB 4.19Å; F376-V393 HydrophobicContact CE2-CG1 3.74Å; F376-V393 HydrophobicContact CZ-CG1 4.3Å; F376-L397 HydrophobicContact CE2-CD1 4.05Å; F376-L397 HydrophobicContact CZ-CD1 3.99Å; F376-I450 HydrophobicContact CE1-CG2 4.06Å; F376-I450 HydrophobicContact CZ-CG2 3.53Å; F376-L454 HydrophobicContact CD1-CD1 4.21Å; F376-L454 HydrophobicContact CD1-CD2 3.91Å; F376-L454 HydrophobicContact CE1-CD1 4.34Å; F376-L454 HydrophobicContact CE1-CD2 3.77Å; F376-L454 HydrophobicContact CE1-CG 4.46Å
377	A	98.5	Very high	97.9	Very high	6 Å²	6	21.3 Å²	21.3	5%	0.05	10%	0.095	C	C	.	.	H	α-helix	trans	-55.3	-43.9	176.9	0	0	0	0	0	110.9	Q52 A270 T273 L374 G381	Q52-A377 PolarHBondContact NE2-O 3Å; Q52-A377 PolarHBondContact OE1-O 2.99Å; A270-A377 HydrophobicContact CB-CB 3.87Å; T273-A377 HydrophobicContact CG2-CB 3.94Å; L374-A377 HydrophobicContact CD2-CB 4.05Å; L374-A377 PolarHBondContact O-N 2.65Å; A377-G381 WeakPolarHBondContact O-CA 3.43Å; A377-G381 PolarHBondContact O-N 2.71Å
378	K	98.6	Very high	98.1	Very high	37 Å²	37	14.4 Å²	14.4	16%	0.161	7%	0.069	C	C	.	.	H	α-helix	trans	-67.1	-35.4	177.6	-67.7	169.6	-174.4	171	0	113.8	K53 S54 T273 D371 L374 M375 F376	K53-K378 WeakPolarHBondContact CA-O 3.47Å; K53-K378 WeakPolarHBondContact CB-O 3.35Å; K53-K378 HydrophobicContact CD-CB 4.5Å; K53-K378 HydrophobicContact CG-CB 4.4Å; K53-K378 PolarHBondContact N-O 3.08Å; S54-K378 PolarHBondContact N-O 2.88Å; T273-K378 HydrophobicContact CG2-CG 3.64Å; D371-K378 IonicContact OD1-NZ 3.94Å; D371-K378 PolarHBondContact OD1-NZ 3.37Å; D371-K378 IonicContact OD2-NZ 2.74Å; D371-K378 PolarHBondContact OD2-NZ 3.33Å; L374-K378 WeakPolarHBondContact O-CB 3.39Å; L374-K378 WeakPolarHBondContact O-CG 3.46Å; L374-K378 PolarHBondContact O-N 3.42Å; M375-K378 PolarHBondContact O-N 3.08Å; F376-K378 PolarHBondContact O-N 2.88Å
379	N	98.6	Very high	98.3	Very high	15 Å²	15	8.8 Å²	8.8	8%	0.08	5%	0.048	C	C	.	.	H	α-helix	trans	-107.8	-16.9	-167.3	-67.6	-73.3	0	0	0	114.3	S54 M375 F376 L454 R458	S54-N379 CarbonylContact O-C 3.56Å; S54-N379 WeakPolarHBondContact OG-CA 3.4Å; S54-N379 PolarHBondContact OG-O 3Å; M375-N379 PolarHBondContact O-N 3.04Å; M375-N379 PolarHBondContact O-ND2 3.25Å; F376-N379 PolarHBondContact O-N 2.94Å; F376-N379 VanDerWaalsContact O-N 3.13Å; N379-L454 HydrophobicContact CB-CD1 4.07Å; N379-L454 HydrophobicContact CB-CD2 4.38Å; N379-L454 HydrophobicContact CB-CG 4.47Å; N379-R458 VanDerWaalsContact O-CZ 3.27Å; N379-R458 PolarHBondContact O-NH1 3.33Å; N379-R458 PolarHBondContact O-NH2 2.99Å
380	I	98.6	Very high	98.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-112.6	-34.8	177.5	-55.5	-55.9	0	0	0	110.9	F26 G56 A173 F376 M383 L454 R458	F26-I380 HydrophobicContact CB-CD1 3.76Å; F26-I380 HydrophobicContact CB-CG1 4.04Å; F26-I380 HydrophobicContact CB-CG2 4.22Å; F26-I380 HydrophobicContact CD2-CD1 3.81Å; F26-I380 HydrophobicContact CG-CD1 3.77Å; F26-I380 HydrophobicContact CG-CG1 4.23Å; G56-I380 PolarHBondContact N-O 2.84Å; A173-I380 VanDerWaalsContact O-CG2 3.24Å; A173-I380 WeakPolarHBondContact O-CG2 3.38Å; F376-I380 HydrophobicContact CB-CG1 4.35Å; F376-I380 HydrophobicContact CD1-CG1 4.13Å; F376-I380 WeakPolarHBondContact O-CA 3.49Å; F376-I380 WeakPolarHBondContact O-CB 3.43Å; F376-I380 PolarHBondContact O-N 3.43Å; I380-M383 HydrophobicContact CB-CE 4.27Å; I380-M383 HydrophobicContact CB-SD 4.38Å; I380-M383 HydrophobicContact CG2-CE 4.3Å; I380-M383 HydrophobicContact CG2-CG 3.82Å; I380-M383 HydrophobicContact CG2-SD 3.8Å; I380-L454 HydrophobicContact CD1-CD1 3.44Å; I380-L454 VanDerWaalsContact CD1-CD1 3.44Å; I380-L454 HydrophobicContact CG1-CD1 4Å; I380-R458 VanDerWaalsContact CD1-NH1 3.29Å
381	G	98.4	Very high	98.5	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.046	C	C	.	.			trans	93.8	-156.6	-170.8	0	0	0	0	0	112.5	G171 A377 M383	G171-G381 CarbonylContact O-C 3.59Å; G171-G381 WeakPolarHBondContact O-CA 3.33Å; A377-G381 WeakPolarHBondContact O-CA 3.43Å; A377-G381 PolarHBondContact O-N 2.71Å; G381-M383 PolarHBondContact O-N 3.26Å
382	N	98.5	Very high	98.5	Very high	3 Å²	3	6 Å²	6	2%	0.016	3%	0.033	C	C	.	.			trans	-79.4	115.6	-176.8	-169.2	4.3	0	0	0	111.2	A160 T170 G171 G172 Y384 S387	A160-N382 VanDerWaalsContact CB-O 3.24Å; A160-N382 WeakPolarHBondContact CB-O 3.5Å; T170-N382 WeakPolarHBondContact O-CB 3.22Å; G171-N382 PolarHBondContact O-N 2.85Å; G172-N382 CarbonylContact C-O 3.37Å; G172-N382 VanDerWaalsContact C-O 3.24Å; G172-N382 WeakPolarHBondContact CA-O 3.49Å; G172-N382 PolarHBondContact N-O 3.04Å; N382-Y384 VanDerWaalsContact C-N 3.34Å; N382-Y384 VanDerWaalsContact ND2-CD1 3.33Å; N382-Y384 WeakPolarHBondContact ND2-CD1 3.2Å; N382-Y384 WeakPolarHBondContact ND2-CE1 3.36Å; N382-Y384 WeakPolarHBondContact OD1-CA 3.37Å; N382-Y384 PolarHBondContact OD1-N 3.17Å; N382-S387 PolarHBondContact OD1-OG 2.97Å
383	M	98.7	Very high	98.5	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.005	2%	0.024	C	C	.	.			trans	-100	25.7	174	-56	179.3	-94.8	0	0	111.9	A173 F376 I380 G381 T385 A386 S387 A390	A173-M383 WeakPolarHBondContact O-CG 3.4Å; F376-M383 HydrophobicContact CB-CE 3.7Å; I380-M383 HydrophobicContact CB-CE 4.27Å; I380-M383 HydrophobicContact CB-SD 4.38Å; I380-M383 HydrophobicContact CG2-CE 4.3Å; I380-M383 HydrophobicContact CG2-CG 3.82Å; I380-M383 HydrophobicContact CG2-SD 3.8Å; G381-M383 PolarHBondContact O-N 3.26Å; M383-T385 PolarHBondContact O-N 2.85Å; M383-T385 VanDerWaalsContact O-N 3.07Å; M383-A386 HydrophobicContact CB-CB 3.88Å; M383-A386 WeakPolarHBondContact O-CB 3.32Å; M383-A386 PolarHBondContact O-N 3.26Å; M383-S387 WeakPolarHBondContact CA-OG 3.41Å; M383-S387 PolarHBondContact N-OG 3.38Å; M383-A390 HydrophobicContact CE-CB 3.21Å; M383-A390 HydrophobicContact SD-CB 4.41Å
384	Y	98.6	Very high	98.5	Very high	1 Å²	1	4.3 Å²	4.3	0%	0.004	2%	0.022	C	C	.	.	G	3₁₀ helix	trans	41	-109.1	-175.7	-65.7	-28.8	0	0	0	113.8	E94 C128 D158 A160 Y162 F203 H269 N382 A386 S387	E94-Y384 HydrophobicContact CG-CD2 3.48Å; E94-Y384 VanDerWaalsContact CG-CD2 3.48Å; E94-Y384 HydrophobicContact CG-CE2 4.11Å; E94-Y384 HydrophobicContact CG-CG 4.07Å; E94-Y384 WeakPolarHBondContact OE2-CE2 3.19Å; C128-Y384 VanDerWaalsContact SG-CA 3.54Å; C128-Y384 VanDerWaalsContact SG-CB 3.52Å; C128-Y384 WeakPolarHBondContact SG-CD1 3.31Å; D158-Y384 HydrophobicContact CB-CD2 3.75Å; D158-Y384 HydrophobicContact CB-CG 4.09Å; D158-Y384 WeakPolarHBondContact OD2-CB 3.3Å; A160-Y384 VanDerWaalsContact CA-CE2 3.42Å; A160-Y384 HydrophobicContact CB-CD1 3.84Å; A160-Y384 HydrophobicContact CB-CD2 3.79Å; A160-Y384 HydrophobicContact CB-CE1 3.5Å; A160-Y384 HydrophobicContact CB-CE2 3.44Å; A160-Y384 VanDerWaalsContact CB-CE2 3.44Å; A160-Y384 HydrophobicContact CB-CG 3.97Å; Y162-Y384 VanDerWaalsContact CZ-OH 3.32Å; Y162-Y384 WeakPolarHBondContact OH-CE1 3.4Å; Y162-Y384 PolarHBondContact OH-OH 3.17Å; F203-Y384 HydrophobicContact CZ-CE1 4.41Å; H269-Y384 PolarHBondContact CE1-O 2.96Å; N382-Y384 VanDerWaalsContact C-N 3.34Å; N382-Y384 VanDerWaalsContact ND2-CD1 3.33Å; N382-Y384 WeakPolarHBondContact ND2-CD1 3.2Å; N382-Y384 WeakPolarHBondContact ND2-CE1 3.36Å; N382-Y384 WeakPolarHBondContact OD1-CA 3.37Å; N382-Y384 PolarHBondContact OD1-N 3.17Å; Y384-A386 PolarHBondContact O-N 2.99Å; Y384-S387 PolarHBondContact N-OG 3.47Å; Y384-S387 VanDerWaalsContact O-CB 3.26Å; Y384-S387 WeakPolarHBondContact O-CB 3.36Å; Y384-S387 PolarHBondContact O-N 3.47Å; Y384-S387 PolarHBondContact O-OG 2.83Å
385	T	98.9	Very high	98.3	Very high	2 Å²	2	4.3 Å²	4.3	1%	0.012	2%	0.022	C	C	.	.	G	3₁₀ helix	trans	-61.5	-30.6	-177.4	56.5	0	0	0	0	113	G92 A127 C128 A157 D158 M383 Y389	G92-T385 PolarHBondContact O-OG1 3.48Å; G92-T385 VanDerWaalsContact O-OG1 3.07Å; A127-T385 VanDerWaalsContact O-CG2 3.3Å; A127-T385 WeakPolarHBondContact O-CG2 3.24Å; C128-T385 WeakPolarHBondContact O-CA 3.43Å; A157-T385 PolarHBondContact N-OG1 3.43Å; A157-T385 PolarHBondContact O-OG1 3.37Å; D158-T385 VanDerWaalsContact OD2-CB 3.24Å; D158-T385 WeakPolarHBondContact OD2-CB 3.4Å; D158-T385 WeakPolarHBondContact OD2-CG2 3.31Å; D158-T385 PolarHBondContact OD2-N 2.67Å; D158-T385 PolarHBondContact OD2-OG1 2.93Å; M383-T385 PolarHBondContact O-N 2.85Å; M383-T385 VanDerWaalsContact O-N 3.07Å; T385-Y389 WeakPolarHBondContact O-CD2 3.09Å
386	A	98.9	Very high	98.2	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.02	C	C	.	.	G	3₁₀ helix	trans	-78.9	-16.7	177.5	0	0	0	0	0	113	A156 V176 M383 Y384 L388 Y389 A390	A156-A386 HydrophobicContact CB-CB 4.43Å; A156-A386 WeakPolarHBondContact O-CB 3.48Å; V176-A386 HydrophobicContact CG2-CB 4.2Å; M383-A386 HydrophobicContact CB-CB 3.88Å; M383-A386 WeakPolarHBondContact O-CB 3.32Å; M383-A386 PolarHBondContact O-N 3.26Å; Y384-A386 PolarHBondContact O-N 2.99Å; A386-L388 PolarHBondContact O-N 2.94Å; A386-Y389 PolarHBondContact O-N 2.83Å; A386-Y389 VanDerWaalsContact O-N 3.11Å; A386-A390 WeakPolarHBondContact O-CB 3.39Å; A386-A390 PolarHBondContact O-N 3.15Å
387	S	98.9	Very high	97.9	Very high	3 Å²	3	4.7 Å²	4.7	2%	0.021	2%	0.024	C	C	.	.	H	α-helix	trans	-57.5	-43.9	-172.5	-69.6	0	0	0	0	113.5	N382 M383 Y384 Y389 C391	N382-S387 PolarHBondContact OD1-OG 2.97Å; M383-S387 WeakPolarHBondContact CA-OG 3.41Å; M383-S387 PolarHBondContact N-OG 3.38Å; Y384-S387 PolarHBondContact N-OG 3.47Å; Y384-S387 VanDerWaalsContact O-CB 3.26Å; Y384-S387 WeakPolarHBondContact O-CB 3.36Å; Y384-S387 PolarHBondContact O-N 3.47Å; Y384-S387 PolarHBondContact O-OG 2.83Å; S387-Y389 VanDerWaalsContact C-N 3.35Å; S387-C391 PolarHBondContact O-N 3.49Å; S387-C391 VanDerWaalsContact O-N 3.11Å; S387-C391 PolarHBondContact O-SG 3.25Å
388	L	98.9	Very high	97.6	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.01	4%	0.039	C	C	.	.	H	α-helix	trans	-63.8	-43	178.5	173.9	60.7	0	0	0	111.2	C267 A386 C391 L392 M411 Y412 Y423	C267-L388 HydrophobicContact CB-CD1 3.91Å; C267-L388 VanDerWaalsContact O-CD1 3.28Å; C267-L388 WeakPolarHBondContact O-CD1 3.35Å; A386-L388 PolarHBondContact O-N 2.94Å; L388-C391 VanDerWaalsContact O-CB 3.3Å; L388-C391 WeakPolarHBondContact O-CB 3.36Å; L388-C391 PolarHBondContact O-N 3.03Å; L388-C391 VanDerWaalsContact O-N 3.14Å; L388-L392 PolarHBondContact O-N 3.41Å; L388-L392 VanDerWaalsContact O-N 3.16Å; L388-M411 HydrophobicContact CD1-CE 3.72Å; L388-M411 HydrophobicContact CD2-CE 4.17Å; L388-M411 HydrophobicContact CG-CE 3.76Å; L388-Y412 WeakPolarHBondContact CD1-O 3.5Å; L388-Y423 HydrophobicContact CD2-CE1 4.34Å
389	Y	98.9	Very high	97.2	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-74.7	-33.1	-177.2	-56.5	-69.4	0	0	0	112.4	G131 T132 L135 A156 I178 T385 A386 S387 C391 L392 V393	G131-Y389 PolarHBondContact O-OH 3.03Å; G131-Y389 VanDerWaalsContact O-OH 3.1Å; T132-Y389 WeakPolarHBondContact CA-OH 3.46Å; T132-Y389 PolarHBondContact N-OH 3.46Å; T132-Y389 VanDerWaalsContact N-OH 3.15Å; T132-Y389 PolarHBondContact OG1-OH 2.74Å; L135-Y389 WeakPolarHBondContact CB-OH 3.43Å; L135-Y389 HydrophobicContact CD2-CE1 4.24Å; A156-Y389 HydrophobicContact CB-CD2 3.75Å; A156-Y389 HydrophobicContact CB-CE2 3.9Å; I178-Y389 HydrophobicContact CD1-CD1 3.41Å; I178-Y389 VanDerWaalsContact CD1-CD1 3.41Å; I178-Y389 HydrophobicContact CD1-CD2 4.06Å; I178-Y389 HydrophobicContact CD1-CE1 3.5Å; I178-Y389 VanDerWaalsContact CD1-CE1 3.5Å; I178-Y389 HydrophobicContact CD1-CE2 4.14Å; I178-Y389 HydrophobicContact CD1-CG 3.69Å; T385-Y389 WeakPolarHBondContact O-CD2 3.09Å; A386-Y389 PolarHBondContact O-N 2.83Å; A386-Y389 VanDerWaalsContact O-N 3.11Å; S387-Y389 VanDerWaalsContact C-N 3.35Å; Y389-C391 PolarHBondContact O-N 3.12Å; Y389-L392 WeakPolarHBondContact O-CB 3.49Å; Y389-L392 PolarHBondContact O-N 2.8Å; Y389-L392 VanDerWaalsContact O-N 3.11Å; Y389-V393 WeakPolarHBondContact O-CG2 3.31Å; Y389-V393 PolarHBondContact O-N 2.91Å
390	A	98.7	Very high	96.7	Very high	1 Å²	1	7 Å²	7	1%	0.008	4%	0.04	C	C	.	.	H	α-helix	trans	-61.4	-33.5	167.9	0	0	0	0	0	111.4	I24 F376 M383 A386 V393 S394	I24-A390 HydrophobicContact CD1-CB 3.86Å; F376-A390 HydrophobicContact CB-CB 4.09Å; F376-A390 HydrophobicContact CD2-CB 4.31Å; F376-A390 WeakPolarHBondContact CD2-O 3.46Å; F376-A390 HydrophobicContact CG-CB 4.43Å; M383-A390 HydrophobicContact CE-CB 3.21Å; M383-A390 HydrophobicContact SD-CB 4.41Å; A386-A390 WeakPolarHBondContact O-CB 3.39Å; A386-A390 PolarHBondContact O-N 3.15Å; A390-V393 PolarHBondContact O-N 2.95Å; A390-S394 WeakPolarHBondContact O-CB 3.34Å; A390-S394 PolarHBondContact O-N 3.04Å
391	C	98.8	Very high	96	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.014	6%	0.058	C	C	.	.	H	α-helix	trans	-65.9	-38.9	172.8	-62.8	0	0	0	0	112.4	C267 G373 S387 L388 Y389 S394 L395	C267-C391 HydrophobicContact CB-CB 3.96Å; G373-C391 WeakPolarHBondContact CA-O 3.43Å; G373-C391 WeakPolarHBondContact O-CA 3.1Å; G373-C391 WeakPolarHBondContact O-CB 3.4Å; G373-C391 PolarHBondContact O-SG 3.08Å; S387-C391 PolarHBondContact O-N 3.49Å; S387-C391 VanDerWaalsContact O-N 3.11Å; S387-C391 PolarHBondContact O-SG 3.25Å; L388-C391 VanDerWaalsContact O-CB 3.3Å; L388-C391 WeakPolarHBondContact O-CB 3.36Å; L388-C391 PolarHBondContact O-N 3.03Å; L388-C391 VanDerWaalsContact O-N 3.14Å; Y389-C391 PolarHBondContact O-N 3.12Å; C391-S394 WeakPolarHBondContact O-CB 3.37Å; C391-S394 PolarHBondContact O-N 2.71Å; C391-L395 WeakPolarHBondContact O-CB 3.49Å; C391-L395 PolarHBondContact O-N 3.36Å
392	L	98.4	Very high	95.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.4	-45.7	173.4	-179.4	62	0	0	0	111.7	I19 L22 L186 L388 Y389 S394 L395 L396 M411 I425	I19-L392 HydrophobicContact CD1-CD2 3.74Å; L22-L392 HydrophobicContact CD1-CD2 4.16Å; L22-L392 HydrophobicContact CD1-CG 4.32Å; L186-L392 HydrophobicContact CD2-CD1 4.24Å; L186-L392 HydrophobicContact CD2-CD2 4.08Å; L186-L392 HydrophobicContact CD2-CG 4.41Å; L388-L392 PolarHBondContact O-N 3.41Å; L388-L392 VanDerWaalsContact O-N 3.16Å; Y389-L392 WeakPolarHBondContact O-CB 3.49Å; Y389-L392 PolarHBondContact O-N 2.8Å; Y389-L392 VanDerWaalsContact O-N 3.11Å; L392-S394 VanDerWaalsContact C-N 3.3Å; L392-S394 PolarHBondContact O-N 3.06Å; L392-L395 WeakPolarHBondContact O-CB 3.41Å; L392-L395 PolarHBondContact O-N 3.08Å; L392-L396 HydrophobicContact CD1-CG 4.48Å; L392-L396 HydrophobicContact CG-CD1 4.38Å; L392-L396 VanDerWaalsContact O-CG 3.32Å; L392-L396 WeakPolarHBondContact O-CG 3.12Å; L392-L396 PolarHBondContact O-N 2.87Å; L392-M411 HydrophobicContact CB-CE 4.06Å; L392-M411 HydrophobicContact CD1-SD 4.46Å; L392-M411 HydrophobicContact CD2-CE 4.18Å; L392-I425 HydrophobicContact CD2-CD1 3.85Å
393	V	97	Very high	94.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58.5	-45	174.8	176.4	0	0	0	0	110.3	L22 I24 F376 Y389 A390 L395 L396 L397 L437	L22-V393 HydrophobicContact CB-CG2 4.21Å; L22-V393 HydrophobicContact CD1-CG2 4.02Å; I24-V393 HydrophobicContact CG2-CG1 4.13Å; F376-V393 HydrophobicContact CE2-CB 4.19Å; F376-V393 HydrophobicContact CE2-CG1 3.74Å; F376-V393 HydrophobicContact CZ-CG1 4.3Å; Y389-V393 WeakPolarHBondContact O-CG2 3.31Å; Y389-V393 PolarHBondContact O-N 2.91Å; A390-V393 PolarHBondContact O-N 2.95Å; V393-L395 PolarHBondContact O-N 3.01Å; V393-L396 PolarHBondContact O-N 2.8Å; V393-L397 HydrophobicContact CG1-CD1 3.85Å; V393-L397 HydrophobicContact CG1-CG 4.32Å; V393-L397 VanDerWaalsContact O-CG 3.3Å; V393-L397 WeakPolarHBondContact O-CG 3.46Å; V393-L397 PolarHBondContact O-N 3Å; V393-L437 HydrophobicContact CG1-CD1 3.92Å; V393-L437 HydrophobicContact CG1-CD2 3.86Å; V393-L437 HydrophobicContact CG2-CD2 4.22Å
394	S	96.9	Very high	94.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58	-46.6	175.8	-179	0	0	0	0	112	P372 G373 L374 M375 A390 C391 L392 L396 L397 N398	P372-S394 CarbonylContact O-C 3.58Å; P372-S394 VanDerWaalsContact O-O 3.09Å; P372-S394 PolarHBondContact O-OG 3.1Å; G373-S394 VanDerWaalsContact C-CB 3.48Å; G373-S394 VanDerWaalsContact C-OG 3.22Å; G373-S394 WeakPolarHBondContact O-CB 3.37Å; L374-S394 PolarHBondContact N-OG 2.74Å; M375-S394 WeakPolarHBondContact CB-OG 3.17Å; M375-S394 PolarHBondContact N-OG 3.23Å; A390-S394 WeakPolarHBondContact O-CB 3.34Å; A390-S394 PolarHBondContact O-N 3.04Å; C391-S394 WeakPolarHBondContact O-CB 3.37Å; C391-S394 PolarHBondContact O-N 2.71Å; L392-S394 VanDerWaalsContact C-N 3.3Å; L392-S394 PolarHBondContact O-N 3.06Å; S394-L396 VanDerWaalsContact C-N 3.32Å; S394-L396 PolarHBondContact O-N 3.37Å; S394-L397 PolarHBondContact O-N 3.32Å; S394-N398 WeakPolarHBondContact O-CB 3.41Å; S394-N398 PolarHBondContact O-N 3.27Å; S394-N398 PolarHBondContact O-ND2 3.24Å; S394-N398 PolarHBondContact OG-ND2 3.46Å
395	L	96.2	Very high	94	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-58.7	-46.8	179.4	173.1	66	0	0	0	110.8	Y265 P372 C391 L392 V393 L397 N398 T399 L404 V409	Y265-L395 HydrophobicContact CD1-CD1 3.55Å; Y265-L395 HydrophobicContact CE1-CD1 4.01Å; Y265-L395 HydrophobicContact CG-CD1 3.84Å; Y265-L395 HydrophobicContact CG-CD2 4.09Å; P372-L395 HydrophobicContact CB-CD1 4.05Å; P372-L395 PolarHBondContact O-N 2.97Å; C391-L395 WeakPolarHBondContact O-CB 3.49Å; C391-L395 PolarHBondContact O-N 3.36Å; L392-L395 WeakPolarHBondContact O-CB 3.41Å; L392-L395 PolarHBondContact O-N 3.08Å; V393-L395 PolarHBondContact O-N 3.01Å; L395-L397 VanDerWaalsContact C-N 3.35Å; L395-L397 PolarHBondContact O-N 3.17Å; L395-N398 PolarHBondContact O-N 2.79Å; L395-T399 WeakPolarHBondContact CD1-OG1 3.43Å; L395-T399 VanDerWaalsContact O-CB 3.24Å; L395-T399 WeakPolarHBondContact O-CB 3.24Å; L395-T399 PolarHBondContact O-N 3.23Å; L395-T399 PolarHBondContact O-OG1 2.84Å; L395-L404 HydrophobicContact CD1-CD2 4.41Å; L395-L404 HydrophobicContact CG-CD2 4.29Å; L395-V409 HydrophobicContact CD2-CB 4.46Å; L395-V409 HydrophobicContact CD2-CG1 3.75Å; L395-V409 HydrophobicContact CD2-CG2 3.81Å
396	L	94.7	Very high	93.6	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	-65.1	-36.7	-179.8	-65.9	174.1	0	0	0	112.5	L22 L186 L392 V393 S394 L404 I427 V436 L437 L441	L22-L396 HydrophobicContact CD1-CD1 3.78Å; L186-L396 HydrophobicContact CD2-CD1 3.97Å; L186-L396 HydrophobicContact CD2-CD2 4.38Å; L392-L396 HydrophobicContact CD1-CG 4.48Å; L392-L396 HydrophobicContact CG-CD1 4.38Å; L392-L396 VanDerWaalsContact O-CG 3.32Å; L392-L396 WeakPolarHBondContact O-CG 3.12Å; L392-L396 PolarHBondContact O-N 2.87Å; V393-L396 PolarHBondContact O-N 2.8Å; S394-L396 VanDerWaalsContact C-N 3.32Å; S394-L396 PolarHBondContact O-N 3.37Å; L396-L404 HydrophobicContact CD2-CD1 3.95Å; L396-I427 HydrophobicContact CD2-CD1 4.43Å; L396-V436 HydrophobicContact CD1-CG1 3.87Å; L396-L437 HydrophobicContact CB-CD1 3.62Å; L396-L437 HydrophobicContact CD1-CD1 3.97Å; L396-L437 HydrophobicContact CG-CD1 4.48Å; L396-L441 WeakPolarHBondContact O-CD2 3.08Å
397	L	92.1	Very high	93.3	Very high	19 Å²	19	20.4 Å²	20.4	10%	0.099	12%	0.123	C	C	.	.	H	α-helix	trans	-73.5	-36.5	178.6	-71.7	174.6	0	0	0	113.3	M375 F376 V393 S394 L395 L437 C439 I450	M375-L397 HydrophobicContact CE-CD1 3.89Å; F376-L397 HydrophobicContact CE2-CD1 4.05Å; F376-L397 HydrophobicContact CZ-CD1 3.99Å; V393-L397 HydrophobicContact CG1-CD1 3.85Å; V393-L397 HydrophobicContact CG1-CG 4.32Å; V393-L397 VanDerWaalsContact O-CG 3.3Å; V393-L397 WeakPolarHBondContact O-CG 3.46Å; V393-L397 PolarHBondContact O-N 3Å; S394-L397 PolarHBondContact O-N 3.32Å; L395-L397 VanDerWaalsContact C-N 3.35Å; L395-L397 PolarHBondContact O-N 3.17Å; L397-L437 HydrophobicContact CD2-CD1 4Å; L397-L437 HydrophobicContact CG-CD1 3.94Å; L397-C439 HydrophobicContact CD2-CB 4.11Å; L397-C439 WeakPolarHBondContact CD2-SG 3.14Å; L397-I450 HydrophobicContact CD1-CB 4.19Å; L397-I450 HydrophobicContact CD1-CD1 4.36Å; L397-I450 HydrophobicContact CD1-CG2 3.79Å; L397-I450 HydrophobicContact CD2-CD1 4.47Å
398	N	92.6	Very high	93.1	Very high	68 Å²	68	20.6 Å²	20.6	36%	0.364	12%	0.123	S	C	.	.	H	α-helix	trans	-97.2	1.3	-171.2	-68.1	-74.6	0	0	0	113.8	P372 S394 L395	P372-N398 HydrophobicContact CB-CB 4.38Å; S394-N398 WeakPolarHBondContact O-CB 3.41Å; S394-N398 PolarHBondContact O-N 3.27Å; S394-N398 PolarHBondContact O-ND2 3.24Å; S394-N398 PolarHBondContact OG-ND2 3.46Å; L395-N398 PolarHBondContact O-N 2.79Å
399	T	91.1	Very high	92.9	Very high	6 Å²	6	20.5 Å²	20.5	4%	0.037	12%	0.123	C	C	.	.	S	Bend	trans	-123.8	127.3	-177.6	-45.6	0	0	0	0	110.2	Y265 L395 E403 L404	Y265-T399 HydrophobicContact CE1-CG2 4.37Å; Y265-T399 WeakPolarHBondContact OH-CG2 3.08Å; L395-T399 WeakPolarHBondContact CD1-OG1 3.43Å; L395-T399 VanDerWaalsContact O-CB 3.24Å; L395-T399 WeakPolarHBondContact O-CB 3.24Å; L395-T399 PolarHBondContact O-N 3.23Å; L395-T399 PolarHBondContact O-OG1 2.84Å; T399-E403 HydrophobicContact CG2-CB 3.99Å; T399-L404 HydrophobicContact CG2-CD1 4.44Å; T399-L404 HydrophobicContact CG2-CD2 3.66Å; T399-L404 HydrophobicContact CG2-CG 3.69Å; T399-L404 WeakPolarHBondContact O-CD1 3.43Å
400	P	87.5	Confident	92.9	Very high	33 Å²	33	20.8 Å²	20.8	21%	0.214	12%	0.124	C	C	.	.			trans	-58.9	142.7	179.2	-5.7	8.9	0	0	0	112	G402 E403 L404 P443	P400-G402 PolarHBondContact O-N 3.42Å; P400-G402 VanDerWaalsContact O-N 3.17Å; P400-E403 HydrophobicContact CB-CG 4.46Å; P400-E403 HydrophobicContact CG-CG 4.08Å; P400-E403 WeakPolarHBondContact O-CB 3.37Å; P400-E403 PolarHBondContact O-N 2.86Å; P400-L404 PolarHBondContact O-N 3.31Å; P400-P443 HydrophobicContact CB-CG 3.74Å; P400-P443 HydrophobicContact CG-CG 3.54Å
401	K	84	Confident	92.9	Very high	86 Å²	86	20.7 Å²	20.7	37%	0.374	12%	0.123	S	C	.	.	H	α-helix	trans	-52.9	-40.1	179.4	175.3	174.7	178.6	-175.5	0	112.9	E403 L404 S405 D432 L433	K401-E403 PolarHBondContact O-N 2.87Å; K401-L404 PolarHBondContact O-N 3.36Å; K401-S405 PolarHBondContact O-N 3.43Å; K401-D432 IonicContact NZ-OD1 2.66Å; K401-D432 PolarHBondContact NZ-OD1 3.03Å; K401-L433 HydrophobicContact CD-CB 4.45Å; K401-L433 HydrophobicContact CG-CD1 4.01Å; K401-L433 HydrophobicContact CG-CG 4.41Å
402	G	84	Confident	92.9	Very high	73 Å²	73	20.7 Å²	20.7	75%	0.753	12%	0.123	S	C	*	.	H	α-helix	trans	-61.6	-31.5	178.7	0	0	0	0	0	113.3	P400	P400-G402 PolarHBondContact O-N 3.42Å; P400-G402 VanDerWaalsContact O-N 3.17Å
403	E	88.2	Confident	92.9	Very high	81 Å²	81	20.8 Å²	20.8	38%	0.379	12%	0.124	S	C	.	.	H	α-helix	trans	-79.2	-35.5	176.4	-67.3	-172.7	-157	0	0	112.1	T399 P400 K401 R407	T399-E403 HydrophobicContact CG2-CB 3.99Å; P400-E403 HydrophobicContact CB-CG 4.46Å; P400-E403 HydrophobicContact CG-CG 4.08Å; P400-E403 WeakPolarHBondContact O-CB 3.37Å; P400-E403 PolarHBondContact O-N 2.86Å; K401-E403 PolarHBondContact O-N 2.87Å; E403-R407 WeakPolarHBondContact O-CG 3.4Å; E403-R407 PolarHBondContact O-NE 3.4Å
404	L	90.6	Very high	93	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-75.6	-29.9	-178.9	-71.1	175.8	0	0	0	114.1	Y265 L395 L396 T399 P400 K401 G406 R407 I427 L433	Y265-L404 HydrophobicContact CD2-CD2 4.21Å; Y265-L404 HydrophobicContact CE2-CD2 3.82Å; L395-L404 HydrophobicContact CD1-CD2 4.41Å; L395-L404 HydrophobicContact CG-CD2 4.29Å; L396-L404 HydrophobicContact CD2-CD1 3.95Å; T399-L404 HydrophobicContact CG2-CD1 4.44Å; T399-L404 HydrophobicContact CG2-CD2 3.66Å; T399-L404 HydrophobicContact CG2-CG 3.69Å; T399-L404 WeakPolarHBondContact O-CD1 3.43Å; P400-L404 PolarHBondContact O-N 3.31Å; K401-L404 PolarHBondContact O-N 3.36Å; L404-G406 PolarHBondContact O-N 3.14Å; L404-G406 VanDerWaalsContact O-N 3.17Å; L404-R407 WeakPolarHBondContact O-CB 3.45Å; L404-R407 VanDerWaalsContact O-CG 3.31Å; L404-R407 WeakPolarHBondContact O-CG 3.3Å; L404-R407 PolarHBondContact O-N 3.16Å; L404-I427 HydrophobicContact CB-CD1 3.78Å; L404-I427 HydrophobicContact CB-CG2 4.4Å; L404-I427 HydrophobicContact CD1-CD1 4.5Å; L404-I427 HydrophobicContact CD2-CD1 3.73Å; L404-I427 HydrophobicContact CG-CD1 4.21Å; L404-I427 WeakPolarHBondContact O-CB 3.36Å; L404-I427 WeakPolarHBondContact O-CG2 3.29Å; L404-L433 HydrophobicContact CB-CD1 4.28Å; L404-L433 HydrophobicContact CD1-CD1 4.3Å
405	S	89.1	Confident	93.1	Very high	28 Å²	28	21.1 Å²	21.1	20%	0.196	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	119	-174.3	163.1	0	0	0	0	112.7	K401 R407 P429	K401-S405 PolarHBondContact O-N 3.43Å; S405-R407 PolarHBondContact O-N 3.26Å; S405-P429 WeakPolarHBondContact OG-CA 3.19Å; S405-P429 PolarHBondContact OG-O 3.28Å
406	G	90.3	Very high	93.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	3.4	177.3	0	0	0	0	0	114.9	K258 L404 L426 I427	K258-G406 CarbonylContact O-C 3.11Å; K258-G406 WeakPolarHBondContact O-CA 3.33Å; L404-G406 PolarHBondContact O-N 3.14Å; L404-G406 VanDerWaalsContact O-N 3.17Å; G406-L426 WeakPolarHBondContact O-CD1 3.37Å; G406-I427 CarbonylContact C-O 3.52Å; G406-I427 WeakPolarHBondContact CA-O 3.34Å; G406-I427 PolarHBondContact N-O 3.1Å
407	R	92.1	Very high	93.4	Very high	21 Å²	21	22.7 Å²	22.7	8%	0.079	14%	0.14	C	C	.	.			trans	-80.6	149.9	178.7	-60.3	-69	-176.3	170	-1	111.9	D264 Y265 E403 L404 S405 I427	D264-R407 HydrophobicContact CB-CB 3.86Å; D264-R407 HydrophobicContact CB-CG 4.22Å; D264-R407 VanDerWaalsContact OD1-CD 3.31Å; D264-R407 WeakPolarHBondContact OD1-CD 3.3Å; D264-R407 IonicContact OD1-CZ 3.67Å; D264-R407 IonicContact OD1-NE 2.85Å; D264-R407 IonicContact OD1-NH1 3.64Å; D264-R407 PolarHBondContact OD1-NH1 3Å; D264-R407 VanDerWaalsContact OD2-CA 3.28Å; D264-R407 WeakPolarHBondContact OD2-CA 3.49Å; D264-R407 WeakPolarHBondContact OD2-CD 3.33Å; Y265-R407 HydrophobicContact CD2-CB 4.14Å; Y265-R407 HydrophobicContact CE2-CB 4.07Å; Y265-R407 HydrophobicContact CE2-CG 4.03Å; E403-R407 WeakPolarHBondContact O-CG 3.4Å; E403-R407 PolarHBondContact O-NE 3.4Å; L404-R407 WeakPolarHBondContact O-CB 3.45Å; L404-R407 VanDerWaalsContact O-CG 3.31Å; L404-R407 WeakPolarHBondContact O-CG 3.3Å; L404-R407 PolarHBondContact O-N 3.16Å; S405-R407 PolarHBondContact O-N 3.26Å; R407-I427 PolarHBondContact O-N 3Å
408	R	94.1	Very high	93.6	Very high	7 Å²	7	22 Å²	22	3%	0.026	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.1	174.5	-175.6	171.4	-72.4	97.8	3.9	111.3	D189 N260 A262 D264 Y265 I425	D189-R408 IonicContact OD1-NE 2.71Å; D189-R408 IonicContact OD1-NH2 3Å; D189-R408 WeakPolarHBondContact OD2-CD 3.46Å; D189-R408 IonicContact OD2-CZ 2.7Å; D189-R408 IonicContact OD2-NE 3.04Å; D189-R408 PolarHBondContact OD2-NE 2.85Å; D189-R408 IonicContact OD2-NH2 2.92Å; N260-R408 PolarHBondContact O-NH1 2.5Å; A262-R408 WeakPolarHBondContact O-CB 3.35Å; A262-R408 PolarHBondContact O-NH1 3.02Å; D264-R408 PolarHBondContact N-O 3.11Å; D264-R408 PolarHBondContact OD2-N 2.86Å; Y265-R408 PolarHBondContact N-O 2.82Å; Y265-R408 VanDerWaalsContact N-O 3.12Å; R408-I425 CarbonylContact C-O 3.46Å; R408-I425 WeakPolarHBondContact CA-O 3.21Å
409	V	96.7	Very high	93.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	118.2	175.7	-168.9	0	0	0	0	108.8	Y265 L395 M411 S424 I425 I427	Y265-V409 CarbonylContact O-C 3.56Å; Y265-V409 WeakPolarHBondContact O-CA 3.33Å; L395-V409 HydrophobicContact CD2-CB 4.46Å; L395-V409 HydrophobicContact CD2-CG1 3.75Å; L395-V409 HydrophobicContact CD2-CG2 3.81Å; V409-M411 HydrophobicContact CG1-SD 3.76Å; V409-S424 CarbonylContact O-C 3.44Å; V409-S424 WeakPolarHBondContact O-CA 3.45Å; V409-S424 WeakPolarHBondContact O-CB 3.32Å; V409-I425 PolarHBondContact N-O 3.01Å; V409-I425 PolarHBondContact O-N 3.31Å; V409-I427 HydrophobicContact CG2-CD1 3.95Å; V409-I427 HydrophobicContact CG2-CG1 4.2Å
410	L	98.2	Very high	94.3	Very high	5 Å²	5	18.6 Å²	18.6	3%	0.026	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	129.3	170.5	-171.6	68.4	0	0	0	109.4	Y235 I248 V263 Y265 M266 C267 M422	Y235-L410 HydrophobicContact CD1-CD1 3.85Å; Y235-L410 HydrophobicContact CD2-CD1 4.01Å; Y235-L410 HydrophobicContact CE1-CD1 3.49Å; Y235-L410 VanDerWaalsContact CE1-CD1 3.49Å; Y235-L410 HydrophobicContact CE2-CD1 3.65Å; Y235-L410 HydrophobicContact CG-CD1 4.1Å; I248-L410 HydrophobicContact CG2-CD2 4.07Å; V263-L410 HydrophobicContact CG1-CB 3.65Å; V263-L410 HydrophobicContact CG1-CD2 4.35Å; V263-L410 HydrophobicContact CG2-CB 4.41Å; Y265-L410 PolarHBondContact O-N 3.33Å; M266-L410 CarbonylContact C-O 3.58Å; M266-L410 VanDerWaalsContact CA-O 3.29Å; M266-L410 WeakPolarHBondContact CA-O 3.45Å; M266-L410 HydrophobicContact CB-CB 4.36Å; M266-L410 HydrophobicContact CG-CB 4.01Å; M266-L410 HydrophobicContact CG-CD2 4.3Å; M266-L410 HydrophobicContact SD-CD2 4.28Å; C267-L410 PolarHBondContact N-O 3.11Å; L410-M422 HydrophobicContact CD1-CG 3.58Å; L410-M422 HydrophobicContact CD1-SD 3.82Å; L410-M422 HydrophobicContact CD2-CE 4.37Å; L410-M422 HydrophobicContact CD2-CG 4.41Å; L410-M422 HydrophobicContact CD2-SD 3.79Å; L410-M422 HydrophobicContact CG-CG 3.97Å; L410-M422 HydrophobicContact CG-SD 4.02Å
411	M	98.8	Very high	94.8	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.1	-177.9	-57.8	-60.9	-70.1	0	0	108.8	C267 L388 L392 V409 M422 Y423 I425	C267-M411 HydrophobicContact CB-CE 4.01Å; C267-M411 HydrophobicContact CB-SD 3.68Å; C267-M411 CarbonylContact O-C 3.58Å; C267-M411 WeakPolarHBondContact O-CA 3.32Å; L388-M411 HydrophobicContact CD1-CE 3.72Å; L388-M411 HydrophobicContact CD2-CE 4.17Å; L388-M411 HydrophobicContact CG-CE 3.76Å; L392-M411 HydrophobicContact CB-CE 4.06Å; L392-M411 HydrophobicContact CD1-SD 4.46Å; L392-M411 HydrophobicContact CD2-CE 4.18Å; V409-M411 HydrophobicContact CG1-SD 3.76Å; M411-M422 CarbonylContact O-C 3.59Å; M411-M422 VanDerWaalsContact O-CA 3.23Å; M411-M422 WeakPolarHBondContact O-CA 3.28Å; M411-Y423 HydrophobicContact CB-CD1 3.8Å; M411-Y423 HydrophobicContact CB-CD2 3.91Å; M411-Y423 HydrophobicContact CB-CE1 3.5Å; M411-Y423 VanDerWaalsContact CB-CE1 3.5Å; M411-Y423 HydrophobicContact CB-CE2 3.61Å; M411-Y423 HydrophobicContact CB-CG 4Å; M411-Y423 HydrophobicContact CG-CD2 4.07Å; M411-Y423 HydrophobicContact CG-CE1 4.39Å; M411-Y423 HydrophobicContact CG-CE2 3.61Å; M411-Y423 PolarHBondContact N-O 3.4Å; M411-Y423 PolarHBondContact O-N 3.46Å; M411-I425 HydrophobicContact CE-CD1 4.28Å; M411-I425 HydrophobicContact CG-CD1 3.83Å; M411-I425 HydrophobicContact CG-CG1 4.04Å; M411-I425 HydrophobicContact SD-CD1 4.01Å
412	Y	98.9	Very high	95.5	Very high	1 Å²	1	13 Å²	13	0%	0.004	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	114	173.6	176.5	-111.9	0	0	0	111.1	Y224 L228 C231 C267 L268 H269 L388 Y414 A420 A421 M422	Y224-Y412 HydrophobicContact CD2-CE1 4.44Å; Y224-Y412 AromaticContact CE1-CE1 3.92Å; Y224-Y412 HydrophobicContact CE1-CE1 3.92Å; Y224-Y412 AromaticContact CE2-CE1 3.79Å; Y224-Y412 HydrophobicContact CE2-CE1 3.79Å; Y224-Y412 AromaticContact CZ-CE1 3.49Å; Y224-Y412 VanDerWaalsContact CZ-CE1 3.49Å; Y224-Y412 PolarHBondContact O-OH 2.73Å; L228-Y412 WeakPolarHBondContact CA-OH 3.37Å; L228-Y412 HydrophobicContact CB-CE1 4.08Å; L228-Y412 HydrophobicContact CB-CE2 4.21Å; L228-Y412 HydrophobicContact CD1-CD1 3.51Å; L228-Y412 HydrophobicContact CD1-CD2 3.88Å; L228-Y412 HydrophobicContact CD1-CE1 3.61Å; L228-Y412 HydrophobicContact CD1-CE2 3.96Å; L228-Y412 HydrophobicContact CD1-CG 3.65Å; L228-Y412 HydrophobicContact CG-CE1 4.45Å; L228-Y412 PolarHBondContact N-OH 3.25Å; C231-Y412 HydrophobicContact CB-CD2 4.42Å; C231-Y412 HydrophobicContact CB-CE2 4.14Å; C267-Y412 PolarHBondContact O-N 3.23Å; L268-Y412 CarbonylContact C-O 3.24Å; L268-Y412 WeakPolarHBondContact CA-O 3.22Å; L268-Y412 HydrophobicContact CB-CD1 4.28Å; L268-Y412 HydrophobicContact CD2-CD1 4.21Å; L268-Y412 HydrophobicContact CG-CD1 4.32Å; H269-Y412 PolarHBondContact N-O 3.07Å; L388-Y412 WeakPolarHBondContact CD1-O 3.5Å; Y412-Y414 WeakPolarHBondContact OH-CD2 3.36Å; Y412-A420 HydrophobicContact CE2-CB 4.09Å; Y412-A421 WeakPolarHBondContact CA-O 3.42Å; Y412-M422 HydrophobicContact CD2-CB 4.34Å; Y412-M422 HydrophobicContact CD2-CE 3.86Å; Y412-M422 HydrophobicContact CG-CE 4.24Å
413	S	98.9	Very high	96.2	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.014	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	136	174.2	-164	0	0	0	0	110.1	T132 A420 A421	T132-S413 WeakPolarHBondContact CB-OG 3.44Å; T132-S413 WeakPolarHBondContact OG1-CB 3.32Å; T132-S413 PolarHBondContact OG1-OG 2.88Å; S413-A420 CarbonylContact O-C 3.42Å; S413-A420 WeakPolarHBondContact O-CA 3.39Å; S413-A420 WeakPolarHBondContact O-CB 3.41Å; S413-A421 PolarHBondContact N-O 2.72Å; S413-A421 PolarHBondContact O-N 2.63Å
414	Y	98.9	Very high	96.6	Very high	7 Å²	7	5.7 Å²	5.7	3%	0.027	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.2	174.4	176.8	-92.7	0	0	0	109.4	C128 D202 C223 Y224 A227 Y412 M418 A420	C128-Y414 CarbonylContact C-O 3.58Å; C128-Y414 VanDerWaalsContact CB-O 3.24Å; C128-Y414 WeakPolarHBondContact CB-O 3.36Å; D202-Y414 PolarHBondContact OD2-OH 2.94Å; C223-Y414 WeakPolarHBondContact CB-OH 3.34Å; Y224-Y414 VanDerWaalsContact CA-CE2 3.4Å; Y224-Y414 AromaticContact CD2-CD1 3.61Å; Y224-Y414 HydrophobicContact CD2-CD1 3.61Å; Y224-Y414 HydrophobicContact CD2-CD2 4.04Å; Y224-Y414 HydrophobicContact CD2-CE1 4.12Å; Y224-Y414 HydrophobicContact CD2-CE2 4.49Å; Y224-Y414 AromaticContact CD2-CG 3.57Å; Y224-Y414 HydrophobicContact CD2-CG 3.57Å; Y224-Y414 HydrophobicContact CE2-CD1 4.32Å; Y224-Y414 HydrophobicContact CE2-CG 4.09Å; Y224-Y414 HydrophobicContact CG-CD2 4.44Å; Y224-Y414 HydrophobicContact CG-CG 4.39Å; Y224-Y414 PolarHBondContact N-OH 3.45Å; A227-Y414 HydrophobicContact CB-CD2 4.07Å; A227-Y414 HydrophobicContact CB-CE2 4.07Å; Y412-Y414 WeakPolarHBondContact OH-CD2 3.36Å; Y414-M418 HydrophobicContact CD2-CE 3.72Å; Y414-M418 HydrophobicContact CE2-CB 4.36Å; Y414-M418 HydrophobicContact CE2-CE 3.36Å; Y414-M418 HydrophobicContact CE2-SD 3.64Å; Y414-A420 HydrophobicContact CD2-CB 4.23Å
415	G	98.7	Very high	96.9	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	132.3	165	0	0	0	0	0	109.5	N126 M418 A419	N126-G415 PolarHBondContact ND2-O 2.89Å; G415-M418 CarbonylContact O-C 3.56Å; G415-M418 WeakPolarHBondContact O-CA 3.24Å; G415-M418 WeakPolarHBondContact O-CB 3.32Å; G415-A419 PolarHBondContact N-O 3.45Å; G415-A419 PolarHBondContact O-N 3.36Å
416	S	98.6	Very high	97.2	Very high	15 Å²	15	4.6 Å²	4.6	11%	0.105	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	159.3	179.5	-68.4	0	0	0	0	114.4	N126 D202 F203	N126-S416 PolarHBondContact ND2-O 2.72Å; N126-S416 VanDerWaalsContact ND2-O 3.15Å; D202-S416 WeakPolarHBondContact OD1-CA 3.5Å; D202-S416 VanDerWaalsContact OD1-CB 3.26Å; D202-S416 WeakPolarHBondContact OD1-CB 3.37Å; D202-S416 WeakPolarHBondContact OD2-CB 3.34Å; D202-S416 PolarHBondContact OD2-OG 3.2Å; F203-S416 WeakPolarHBondContact O-CB 3.46Å
417	G	97.6	Very high	97.4	Very high	24 Å²	24	4.6 Å²	4.6	25%	0.247	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.5	-26.2	-176.3	0	0	0	0	0	118.6	K198 H199 C200 D202	K198-G417 CarbonylContact O-C 3.45Å; K198-G417 VanDerWaalsContact O-O 3.09Å; H199-G417 CarbonylContact C-O 3.53Å; C200-G417 PolarHBondContact N-O 2.99Å; C200-G417 VanDerWaalsContact O-O 3.13Å; D202-G417 PolarHBondContact OD1-N 2.87Å
418	M	97.5	Very high	97.4	Very high	5 Å²	5	4.7 Å²	4.7	3%	0.025	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	cis	-134.7	151	-9.8	66.7	145.5	-66.6	0	0	111.6	Y196 M197 K198 C200 C223 A227 Y414 G415 A420	Y196-M418 HydrophobicContact CD1-CE 4.41Å; M197-M418 WeakPolarHBondContact CA-O 3.08Å; K198-M418 HydrophobicContact CB-CG 4.34Å; K198-M418 PolarHBondContact N-O 3.22Å; K198-M418 PolarHBondContact O-N 3.27Å; C200-M418 VanDerWaalsContact SG-CB 3.57Å; C200-M418 VanDerWaalsContact SG-CG 3.58Å; C200-M418 PolarHBondContact SG-N 2.96Å; C223-M418 HydrophobicContact CB-SD 4.1Å; A227-M418 HydrophobicContact CB-CE 3.06Å; A227-M418 HydrophobicContact CB-SD 3.61Å; Y414-M418 HydrophobicContact CD2-CE 3.72Å; Y414-M418 HydrophobicContact CE2-CB 4.36Å; Y414-M418 HydrophobicContact CE2-CE 3.36Å; Y414-M418 HydrophobicContact CE2-SD 3.64Å; G415-M418 CarbonylContact O-C 3.56Å; G415-M418 WeakPolarHBondContact O-CA 3.24Å; G415-M418 WeakPolarHBondContact O-CB 3.32Å; M418-A420 HydrophobicContact CE-CB 3.7Å
419	A	98.9	Very high	97.2	Very high	3 Å²	3	5.4 Å²	5.4	3%	0.025	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.8	173.6	0	0	0	0	0	109.8	N126 F129 M197 G415	N126-A419 HydrophobicContact CB-CB 4.48Å; F129-A419 HydrophobicContact CB-CB 4.24Å; F129-A419 HydrophobicContact CD1-CB 3.79Å; F129-A419 HydrophobicContact CE1-CB 4.29Å; F129-A419 HydrophobicContact CG-CB 3.92Å; M197-A419 HydrophobicContact CE-CB 4.16Å; M197-A419 HydrophobicContact CG-CB 4Å; M197-A419 HydrophobicContact SD-CB 4.35Å; G415-A419 PolarHBondContact N-O 3.45Å; G415-A419 PolarHBondContact O-N 3.36Å
420	A	98.9	Very high	96.7	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	152.7	177.4	0	0	0	0	0	111.3	V195 Y196 A227 Y412 S413 Y414 M418	V195-A420 WeakPolarHBondContact CA-O 3.37Å; Y196-A420 PolarHBondContact N-O 3.47Å; Y196-A420 PolarHBondContact O-N 3.35Å; A227-A420 HydrophobicContact CB-CB 3.82Å; Y412-A420 HydrophobicContact CE2-CB 4.09Å; S413-A420 CarbonylContact O-C 3.42Å; S413-A420 WeakPolarHBondContact O-CA 3.39Å; S413-A420 WeakPolarHBondContact O-CB 3.41Å; Y414-A420 HydrophobicContact CD2-CB 4.23Å; M418-A420 HydrophobicContact CE-CB 3.7Å
421	A	98.8	Very high	96.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	145.6	170.2	0	0	0	0	0	111.6	F129 T132 F136 A194 V195 Y412 S413	F129-A421 HydrophobicContact CE2-CB 3.62Å; F129-A421 HydrophobicContact CZ-CB 4.02Å; T132-A421 HydrophobicContact CG2-CB 4.47Å; F136-A421 HydrophobicContact CE2-CB 3.75Å; F136-A421 HydrophobicContact CZ-CB 4.02Å; A194-A421 CarbonylContact O-C 3.51Å; A194-A421 WeakPolarHBondContact O-CA 3.24Å; A194-A421 WeakPolarHBondContact O-CB 3.44Å; V195-A421 HydrophobicContact CG2-CB 4.05Å; Y412-A421 WeakPolarHBondContact CA-O 3.42Å; S413-A421 PolarHBondContact N-O 2.72Å; S413-A421 PolarHBondContact O-N 2.63Å
422	M	98.7	Very high	95.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.5	165.7	-170.4	174	-72.4	0	0	109.4	A194 L228 C231 Y232 Y235 L283 L410 M411 Y412	A194-M422 PolarHBondContact N-O 2.95Å; A194-M422 PolarHBondContact O-N 3.46Å; L228-M422 HydrophobicContact CD1-CE 3.98Å; C231-M422 HydrophobicContact CB-CB 3.72Å; Y232-M422 HydrophobicContact CD2-CE 4.23Å; Y232-M422 HydrophobicContact CD2-SD 3.63Å; Y232-M422 HydrophobicContact CG-CE 4.45Å; Y232-M422 HydrophobicContact CG-SD 4.27Å; Y235-M422 HydrophobicContact CD1-SD 4.36Å; Y235-M422 HydrophobicContact CD2-CG 4.15Å; Y235-M422 HydrophobicContact CG-CG 4.1Å; Y235-M422 HydrophobicContact CG-SD 4.08Å; L283-M422 HydrophobicContact CD2-CE 4.47Å; L410-M422 HydrophobicContact CD1-CG 3.58Å; L410-M422 HydrophobicContact CD1-SD 3.82Å; L410-M422 HydrophobicContact CD2-CE 4.37Å; L410-M422 HydrophobicContact CD2-CG 4.41Å; L410-M422 HydrophobicContact CD2-SD 3.79Å; L410-M422 HydrophobicContact CG-CG 3.97Å; L410-M422 HydrophobicContact CG-SD 4.02Å; M411-M422 CarbonylContact O-C 3.59Å; M411-M422 VanDerWaalsContact O-CA 3.23Å; M411-M422 WeakPolarHBondContact O-CA 3.28Å; Y412-M422 HydrophobicContact CD2-CB 4.34Å; Y412-M422 HydrophobicContact CD2-CE 3.86Å; Y412-M422 HydrophobicContact CG-CE 4.24Å
423	Y	98.3	Very high	95.2	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.008	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	177.2	178.5	65	-80.5	0	0	0	109.1	T132 L135 F136 I188 L192 L388 M411 I425	T132-Y423 HydrophobicContact CG2-CE1 3.92Å; L135-Y423 HydrophobicContact CD2-CE2 3.89Å; L135-Y423 WeakPolarHBondContact CD2-OH 3.42Å; F136-Y423 AromaticContact CE1-CD1 3.96Å; F136-Y423 HydrophobicContact CE1-CD1 3.96Å; F136-Y423 HydrophobicContact CE1-CD2 4.42Å; F136-Y423 HydrophobicContact CE1-CE1 4.22Å; F136-Y423 HydrophobicContact CE1-CG 4.07Å; F136-Y423 AromaticContact CZ-CD1 3.67Å; F136-Y423 HydrophobicContact CZ-CD1 3.67Å; F136-Y423 HydrophobicContact CZ-CE1 4.12Å; F136-Y423 HydrophobicContact CZ-CG 4.08Å; I188-Y423 HydrophobicContact CD1-CD2 4.4Å; I188-Y423 HydrophobicContact CD1-CE2 4.22Å; L192-Y423 WeakPolarHBondContact O-CA 3.34Å; L388-Y423 HydrophobicContact CD2-CE1 4.34Å; M411-Y423 HydrophobicContact CB-CD1 3.8Å; M411-Y423 HydrophobicContact CB-CD2 3.91Å; M411-Y423 HydrophobicContact CB-CE1 3.5Å; M411-Y423 VanDerWaalsContact CB-CE1 3.5Å; M411-Y423 HydrophobicContact CB-CE2 3.61Å; M411-Y423 HydrophobicContact CB-CG 4Å; M411-Y423 HydrophobicContact CG-CD2 4.07Å; M411-Y423 HydrophobicContact CG-CE1 4.39Å; M411-Y423 HydrophobicContact CG-CE2 3.61Å; M411-Y423 PolarHBondContact N-O 3.4Å; M411-Y423 PolarHBondContact O-N 3.46Å; Y423-I425 HydrophobicContact CE2-CD1 4.31Å; Y423-I425 HydrophobicContact CE2-CG1 4.22Å
424	S	97.4	Very high	94.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	154.5	177.9	55.5	0	0	0	0	113	D189 Y235 V409	D189-S424 VanDerWaalsContact CB-OG 3.25Å; D189-S424 WeakPolarHBondContact CB-OG 3.3Å; D189-S424 PolarHBondContact N-O 2.87Å; D189-S424 WeakPolarHBondContact OD2-CB 3.38Å; D189-S424 PolarHBondContact OD2-OG 2.93Å; Y235-S424 VanDerWaalsContact OH-CB 3.27Å; Y235-S424 WeakPolarHBondContact OH-CB 3.29Å; Y235-S424 PolarHBondContact OH-OG 3.45Å; Y235-S424 VanDerWaalsContact OH-OG 3.09Å; V409-S424 CarbonylContact O-C 3.44Å; V409-S424 WeakPolarHBondContact O-CA 3.45Å; V409-S424 WeakPolarHBondContact O-CB 3.32Å
425	I	96.7	Very high	93.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.1	175.7	-62.6	170.7	0	0	0	107.2	I19 L186 V187 I188 L392 R408 V409 M411 Y423	I19-I425 HydrophobicContact CD1-CD1 4.04Å; L186-I425 HydrophobicContact CB-CG2 3.67Å; L186-I425 HydrophobicContact CD2-CG2 4.36Å; L186-I425 HydrophobicContact CG-CG2 4.02Å; V187-I425 CarbonylContact O-C 3.57Å; V187-I425 VanDerWaalsContact O-CA 3.29Å; V187-I425 WeakPolarHBondContact O-CA 3.46Å; I188-I425 HydrophobicContact CD1-CG1 4Å; L392-I425 HydrophobicContact CD2-CD1 3.85Å; R408-I425 CarbonylContact C-O 3.46Å; R408-I425 WeakPolarHBondContact CA-O 3.21Å; V409-I425 PolarHBondContact N-O 3.01Å; V409-I425 PolarHBondContact O-N 3.31Å; M411-I425 HydrophobicContact CE-CD1 4.28Å; M411-I425 HydrophobicContact CG-CD1 3.83Å; M411-I425 HydrophobicContact CG-CG1 4.04Å; M411-I425 HydrophobicContact SD-CD1 4.01Å; Y423-I425 HydrophobicContact CE2-CD1 4.31Å; Y423-I425 HydrophobicContact CE2-CG1 4.22Å
426	L	94.7	Very high	93.2	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121	167.6	179.6	66.2	0	0	0	108.9	M12 V187 V259 G406 H428	M12-L426 HydrophobicContact CE-CD2 4.28Å; V187-L426 PolarHBondContact N-O 2.86Å; V187-L426 PolarHBondContact O-N 2.84Å; V259-L426 HydrophobicContact CG1-CD1 4.35Å; V259-L426 HydrophobicContact CG1-CD2 4.39Å; G406-L426 WeakPolarHBondContact O-CD1 3.37Å; L426-H428 PolarHBondContact O-N 3.24Å
427	I	94.1	Very high	92.7	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	113.4	170	-58.6	-178.3	0	0	0	107	L396 L404 G406 R407 V409 L433	L396-I427 HydrophobicContact CD2-CD1 4.43Å; L404-I427 HydrophobicContact CB-CD1 3.78Å; L404-I427 HydrophobicContact CB-CG2 4.4Å; L404-I427 HydrophobicContact CD1-CD1 4.5Å; L404-I427 HydrophobicContact CD2-CD1 3.73Å; L404-I427 HydrophobicContact CG-CD1 4.21Å; L404-I427 WeakPolarHBondContact O-CB 3.36Å; L404-I427 WeakPolarHBondContact O-CG2 3.29Å; G406-I427 CarbonylContact C-O 3.52Å; G406-I427 WeakPolarHBondContact CA-O 3.34Å; G406-I427 PolarHBondContact N-O 3.1Å; R407-I427 PolarHBondContact O-N 3Å; V409-I427 HydrophobicContact CG2-CD1 3.95Å; V409-I427 HydrophobicContact CG2-CG1 4.2Å; I427-L433 HydrophobicContact CG2-CD1 3.94Å; I427-L433 HydrophobicContact CG2-CD2 3.86Å; I427-L433 HydrophobicContact CG2-CG 4.45Å
428	H	92.2	Very high	91.4	Very high	23 Å²	23	25.2 Å²	25.2	11%	0.106	14%	0.138	C	C	.	.			trans	-64.5	131.2	-174.2	-172.3	-70.2	0	0	0	110.4	M12 P185 V187 L426 D430 R431	M12-H428 VanDerWaalsContact CE-CD2 3.42Å; M12-H428 WeakPolarHBondContact CE-CD2 3.36Å; P185-H428 WeakPolarHBondContact O-CB 3.49Å; P185-H428 PolarHBondContact O-N 2.86Å; V187-H428 HydrophobicContact CG2-CB 4.25Å; L426-H428 PolarHBondContact O-N 3.24Å; H428-D430 VanDerWaalsContact C-N 3.31Å; H428-D430 PolarHBondContact ND1-N 2.87Å; H428-D430 PolarHBondContact O-N 2.8Å; H428-R431 HydrophobicContact CB-CB 3.98Å; H428-R431 HydrophobicContact CB-CG 4.05Å; H428-R431 PolarHBondContact CD2-NE 2.81Å; H428-R431 VanDerWaalsContact CG-CD 3.49Å; H428-R431 WeakPolarHBondContact ND1-CG 3.4Å; H428-R431 PolarHBondContact ND1-N 3.24Å
429	P	89.4	Confident	89.3	Confident	21 Å²	21	25.5 Å²	25.5	14%	0.136	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-29.6	-171.9	25.7	-36.4	0	0	0	114.3	K258 V259 S405	K258-P429 HydrophobicContact CB-CB 4.25Å; K258-P429 HydrophobicContact CD-CB 4.15Å; V259-P429 HydrophobicContact CG2-CB 4.41Å; V259-P429 HydrophobicContact CG2-CG 3.77Å; S405-P429 WeakPolarHBondContact OG-CA 3.19Å; S405-P429 PolarHBondContact OG-O 3.28Å
430	D	88	Confident	86.8	Confident	118 Å²	118	29.8 Å²	29.8	63%	0.631	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.2	4.2	-172.6	-47.6	-55	0	0	0	114	K258 H428	K258-D430 IonicContact NZ-OD1 3.36Å; K258-D430 PolarHBondContact NZ-OD1 2.92Å; H428-D430 VanDerWaalsContact C-N 3.31Å; H428-D430 PolarHBondContact ND1-N 2.87Å; H428-D430 PolarHBondContact O-N 2.8Å
431	R	89.6	Confident	84.4	Confident	45 Å²	45	31.3 Å²	31.3	17%	0.17	18%	0.178	C	C	.	.	S	Bend	trans	-95.4	145.9	177.4	-72.1	171.6	-170.2	159.8	9.7	109.7	D16 N183 A184 P185 V187 H428	D16-R431 VanDerWaalsContact CB-NH1 3.33Å; D16-R431 IonicContact OD2-CZ 3.6Å; D16-R431 IonicContact OD2-NH1 2.66Å; D16-R431 IonicContact OD2-NH2 2.79Å; D16-R431 PolarHBondContact OD2-NH2 2.68Å; N183-R431 VanDerWaalsContact C-NH1 3.27Å; N183-R431 WeakPolarHBondContact O-CD 3.34Å; A184-R431 WeakPolarHBondContact O-CD 3.35Å; A184-R431 PolarHBondContact O-NH1 2.92Å; P185-R431 HydrophobicContact CB-CB 4.06Å; P185-R431 HydrophobicContact CG-CB 4.34Å; V187-R431 VanDerWaalsContact CG2-NH1 3.25Å; H428-R431 HydrophobicContact CB-CB 3.98Å; H428-R431 HydrophobicContact CB-CG 4.05Å; H428-R431 PolarHBondContact CD2-NE 2.81Å; H428-R431 VanDerWaalsContact CG-CD 3.49Å; H428-R431 WeakPolarHBondContact ND1-CG 3.4Å; H428-R431 PolarHBondContact ND1-N 3.24Å
432	D	85.9	Confident	82	Confident	74 Å²	74	37.6 Å²	37.6	40%	0.396	21%	0.207	S	C	.	.			trans	-73.1	132.6	-179.6	-167.6	14.7	0	0	0	111.6	P185 K401 S434	P185-D432 WeakPolarHBondContact CB-O 3.27Å; P185-D432 WeakPolarHBondContact CG-O 3.46Å; K401-D432 IonicContact NZ-OD1 2.66Å; K401-D432 PolarHBondContact NZ-OD1 3.03Å; D432-S434 VanDerWaalsContact CG-OG 3.27Å; D432-S434 PolarHBondContact OD1-N 2.84Å; D432-S434 VanDerWaalsContact OD1-N 3.08Å; D432-S434 VanDerWaalsContact OD2-CB 3.3Å; D432-S434 WeakPolarHBondContact OD2-CB 3.2Å; D432-S434 PolarHBondContact OD2-OG 3.38Å
433	L	88.4	Confident	79.3	Confident	5 Å²	5	42 Å²	42	3%	0.026	24%	0.236	C	C	.	.	S	Bend	trans	-89.3	-10.9	175.4	-60.5	-175.2	0	0	0	112.3	P185 L186 K401 L404 I427 T435 V436 L441	P185-L433 HydrophobicContact CB-CD2 3.69Å; L186-L433 HydrophobicContact CD1-CD2 3.75Å; K401-L433 HydrophobicContact CD-CB 4.45Å; K401-L433 HydrophobicContact CG-CD1 4.01Å; K401-L433 HydrophobicContact CG-CG 4.41Å; L404-L433 HydrophobicContact CB-CD1 4.28Å; L404-L433 HydrophobicContact CD1-CD1 4.3Å; I427-L433 HydrophobicContact CG2-CD1 3.94Å; I427-L433 HydrophobicContact CG2-CD2 3.86Å; I427-L433 HydrophobicContact CG2-CG 4.45Å; L433-T435 VanDerWaalsContact C-N 3.27Å; L433-T435 PolarHBondContact O-N 2.91Å; L433-V436 HydrophobicContact CD2-CG2 4.43Å; L433-V436 WeakPolarHBondContact O-CB 3.26Å; L433-V436 WeakPolarHBondContact O-CG2 3.38Å; L433-V436 PolarHBondContact O-N 3.32Å; L433-L441 HydrophobicContact CB-CD1 3.99Å
434	S	81.4	Confident	76.8	Confident	43 Å²	43	46.4 Å²	46.4	30%	0.301	27%	0.267	S	S	.	.	H	α-helix	trans	-58.4	-39.3	-176.3	76	0	0	0	0	112	D432 V436 N438	D432-S434 VanDerWaalsContact CG-OG 3.27Å; D432-S434 PolarHBondContact OD1-N 2.84Å; D432-S434 VanDerWaalsContact OD1-N 3.08Å; D432-S434 VanDerWaalsContact OD2-CB 3.3Å; D432-S434 WeakPolarHBondContact OD2-CB 3.2Å; D432-S434 PolarHBondContact OD2-OG 3.38Å; S434-V436 PolarHBondContact O-N 3.23Å; S434-N438 WeakPolarHBondContact O-CA 3.06Å; S434-N438 PolarHBondContact O-N 3.15Å
435	T	78.3	Confident	74	Confident	68 Å²	68	51.7 Å²	51.7	42%	0.417	30%	0.295	S	S	.	.	H	α-helix	trans	-66.1	-25	-179.5	59.9	0	0	0	0	112.6	R78 L433	R78-T435 PolarHBondContact NH1-O 3.12Å; L433-T435 VanDerWaalsContact C-N 3.27Å; L433-T435 PolarHBondContact O-N 2.91Å
436	V	93.4	Very high	71.7	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.018	33%	0.327	C	S	.	.	H	α-helix	trans	-63.1	-51.2	-172.9	-173.1	0	0	0	0	110.4	L22 R78 P185 L186 L396 L433 S434	L22-V436 HydrophobicContact CB-CG1 4.38Å; L22-V436 HydrophobicContact CD1-CG1 3.96Å; L22-V436 HydrophobicContact CG-CG1 4.13Å; L22-V436 PolarHBondContact N-O 3.26Å; R78-V436 PolarHBondContact NH2-O 3.17Å; P185-V436 HydrophobicContact CB-CG2 4Å; P185-V436 HydrophobicContact CG-CG2 4.04Å; L186-V436 HydrophobicContact CD1-CG1 4.28Å; L186-V436 HydrophobicContact CD1-CG2 3.86Å; L396-V436 HydrophobicContact CD1-CG1 3.87Å; L433-V436 HydrophobicContact CD2-CG2 4.43Å; L433-V436 WeakPolarHBondContact O-CB 3.26Å; L433-V436 WeakPolarHBondContact O-CG2 3.38Å; L433-V436 PolarHBondContact O-N 3.32Å; S434-V436 PolarHBondContact O-N 3.23Å
437	L	88.5	Confident	69.7	Low	7 Å²	7	60.1 Å²	60.1	4%	0.037	35%	0.345	C	S	.	.	H	α-helix	trans	-125.8	-3.3	-178.9	-69.7	171.6	0	0	0	114.7	L22 R78 V393 L396 L397 C439 I450	L22-L437 HydrophobicContact CB-CD2 3.66Å; L22-L437 HydrophobicContact CB-CG 4.43Å; R78-L437 VanDerWaalsContact NH1-C 3.26Å; V393-L437 HydrophobicContact CG1-CD1 3.92Å; V393-L437 HydrophobicContact CG1-CD2 3.86Å; V393-L437 HydrophobicContact CG2-CD2 4.22Å; L396-L437 HydrophobicContact CB-CD1 3.62Å; L396-L437 HydrophobicContact CD1-CD1 3.97Å; L396-L437 HydrophobicContact CG-CD1 4.48Å; L397-L437 HydrophobicContact CD2-CD1 4Å; L397-L437 HydrophobicContact CG-CD1 3.94Å; L437-C439 PolarHBondContact O-N 3.24Å; L437-C439 PolarHBondContact O-SG 3.43Å; L437-I450 HydrophobicContact CD2-CD1 4.16Å
438	N	70.7	Confident	68.6	Low	108 Å²	108	60.7 Å²	60.7	58%	0.578	35%	0.349	S	S	*	.			trans	47.7	43.2	-175	-159.7	24.7	0	0	0	113.9	R78 S434	R78-N438 HydrophobicContact CG-CB 4.22Å; S434-N438 WeakPolarHBondContact O-CA 3.06Å; S434-N438 PolarHBondContact O-N 3.15Å
439	C	53.5	Low	68.2	Low	10 Å²	10	63.9 Å²	63.9	7%	0.068	37%	0.367	C	S	.	.			trans	-105.7	134.4	171.1	-52.9	0	0	0	0	106.8	L397 L437 L441 S448	L397-C439 HydrophobicContact CD2-CB 4.11Å; L397-C439 WeakPolarHBondContact CD2-SG 3.14Å; L437-C439 PolarHBondContact O-N 3.24Å; L437-C439 PolarHBondContact O-SG 3.43Å; C439-L441 VanDerWaalsContact C-N 3.27Å; C439-L441 HydrophobicContact CB-CD2 3.91Å; C439-L441 HydrophobicContact CB-CG 4.44Å; C439-L441 PolarHBondContact O-N 2.93Å; C439-S448 PolarHBondContact SG-OG 2.72Å; C439-S448 VanDerWaalsContact SG-OG 3.42Å
440	S	46.5	Very low	68.4	Low	94 Å²	94	63.2 Å²	63.2	66%	0.657	36%	0.362	S	S	*	.			trans	-61.5	100.4	156.8	-89.1	0	0	0	0	106.4	E442	S440-E442 PolarHBondContact O-N 2.9Å
441	L	48.2	Very low	68.5	Low	31 Å²	31	59.2 Å²	59.2	16%	0.162	34%	0.34	C	S	.	.			trans	-72.6	28.3	-176.5	-65.5	173.2	0	0	0	112.8	L396 L433 C439	L396-L441 WeakPolarHBondContact O-CD2 3.08Å; L433-L441 HydrophobicContact CB-CD1 3.99Å; C439-L441 VanDerWaalsContact C-N 3.27Å; C439-L441 HydrophobicContact CB-CD2 3.91Å; C439-L441 HydrophobicContact CB-CG 4.44Å; C439-L441 PolarHBondContact O-N 2.93Å
442	E	48	Very low	68.6	Low	132 Å²	132	61.9 Å²	61.9	62%	0.617	35%	0.349	S	S	*	.			trans	-78.5	117.1	169	-76.4	-74.9	152.4	0	0	107.5	S440 S444 N445	S440-E442 PolarHBondContact O-N 2.9Å; E442-S444 PolarHBondContact O-N 3.31Å; E442-N445 PolarHBondContact O-N 3.04Å
443	P	42.4	Very low	69.1	Low	93 Å²	93	59.2 Å²	59.2	60%	0.604	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	1.6	-166.5	-17.4	27.7	0	0	0	116.4	P400	P400-P443 HydrophobicContact CB-CG 3.74Å; P400-P443 HydrophobicContact CG-CG 3.54Å
444	S	45.6	Very low	69.4	Low	95 Å²	95	59 Å²	59	66%	0.664	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	-6.1	-169.6	54.2	0	0	0	0	114.8	E442	E442-S444 PolarHBondContact O-N 3.31Å
445	N	38.8	Very low	70.1	Confident	110 Å²	110	61.8 Å²	61.8	59%	0.588	34%	0.34	S	S	*	.			trans	-108.6	110.3	178.1	-76.8	-14.1	0	0	0	110.8	E442 S447	E442-N445 PolarHBondContact O-N 3.04Å; N445-S447 VanDerWaalsContact CB-OG 3.26Å; N445-S447 WeakPolarHBondContact CB-OG 3.28Å; N445-S447 PolarHBondContact O-N 3.46Å; N445-S447 PolarHBondContact O-OG 3.46Å
446	D	48.9	Very low	70.9	Confident	126 Å²	126	63.3 Å²	63.3	67%	0.674	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47	43.4	162.1	-153.5	11.5	0	0	0	114.7
447	S	52.8	Low	71.1	Confident	56 Å²	56	66.2 Å²	66.2	39%	0.392	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	-10.6	-156.4	64	0	0	0	0	113.4	N445 N449	N445-S447 VanDerWaalsContact CB-OG 3.26Å; N445-S447 WeakPolarHBondContact CB-OG 3.28Å; N445-S447 PolarHBondContact O-N 3.46Å; N445-S447 PolarHBondContact O-OG 3.46Å; S447-N449 PolarHBondContact O-N 3.02Å
448	S	70.2	Confident	71.5	Confident	12 Å²	12	66.9 Å²	66.9	8%	0.084	36%	0.361	C	S	.	.			trans	-62.6	120.2	165.4	162	0	0	0	0	108.6	C439 I450 H451 R452	C439-S448 PolarHBondContact SG-OG 2.72Å; C439-S448 VanDerWaalsContact SG-OG 3.42Å; S448-I450 PolarHBondContact O-N 2.94Å; S448-I450 VanDerWaalsContact O-N 3.08Å; S448-I450 PolarHBondContact OG-N 2.74Å; S448-H451 PolarHBondContact O-N 2.86Å; S448-H451 PolarHBondContact OG-N 3.27Å; S448-R452 PolarHBondContact O-N 3.21Å
449	N	84.3	Confident	72.8	Confident	90 Å²	90	64.1 Å²	64.1	48%	0.481	35%	0.348	S	S	.	.	H	α-helix	trans	-50.4	-35.1	174.4	-176.8	-21.4	0	0	0	110.9	S447 R452 R453	S447-N449 PolarHBondContact O-N 3.02Å; N449-R452 PolarHBondContact O-N 3.31Å; N449-R453 WeakPolarHBondContact O-CB 3.27Å; N449-R453 WeakPolarHBondContact O-CG 3.45Å; N449-R453 PolarHBondContact O-N 2.97Å; N449-R453 WeakPolarHBondContact OD1-CD 3.49Å; N449-R453 WeakPolarHBondContact OD1-CG 3.35Å
450	I	92.3	Very high	74.9	Confident	7 Å²	7	68.1 Å²	68.1	4%	0.036	37%	0.365	C	S	.	.	H	α-helix	trans	-66.7	-40.4	178.4	-58.9	170.9	0	0	0	112.1	I24 F26 F376 L397 L437 S448 L454	I24-I450 HydrophobicContact CG2-CD1 4.09Å; I24-I450 HydrophobicContact CG2-CG1 4.38Å; I24-I450 HydrophobicContact CG2-CG2 3.87Å; F26-I450 HydrophobicContact CE1-CG2 4.33Å; F376-I450 HydrophobicContact CE1-CG2 4.06Å; F376-I450 HydrophobicContact CZ-CG2 3.53Å; L397-I450 HydrophobicContact CD1-CB 4.19Å; L397-I450 HydrophobicContact CD1-CD1 4.36Å; L397-I450 HydrophobicContact CD1-CG2 3.79Å; L397-I450 HydrophobicContact CD2-CD1 4.47Å; L437-I450 HydrophobicContact CD2-CD1 4.16Å; S448-I450 PolarHBondContact O-N 2.94Å; S448-I450 VanDerWaalsContact O-N 3.08Å; S448-I450 PolarHBondContact OG-N 2.74Å; I450-L454 WeakPolarHBondContact O-CB 3.17Å; I450-L454 PolarHBondContact O-N 3.49Å
451	H	91.6	Very high	77.3	Confident	35 Å²	35	64 Å²	64	16%	0.162	34%	0.336	C	S	.	.	H	α-helix	trans	-64.1	-47.7	175.6	-87.5	-94.9	0	0	0	111.4	M375 S448 R453 L454 F455	M375-H451 PolarHBondContact SD-CE1 2.87Å; S448-H451 PolarHBondContact O-N 2.86Å; S448-H451 PolarHBondContact OG-N 3.27Å; H451-R453 PolarHBondContact O-N 3.24Å; H451-L454 PolarHBondContact O-N 3.13Å; H451-F455 HydrophobicContact CB-CD2 4.47Å; H451-F455 AromaticContact ND1-CD2 3.9Å; H451-F455 AromaticContact ND1-CE2 3.55Å; H451-F455 WeakPolarHBondContact O-CD2 3.49Å; H451-F455 PolarHBondContact O-N 3.07Å
452	R	92.1	Very high	79.7	Confident	100 Å²	100	66 Å²	66	38%	0.377	35%	0.35	S	S	.	.	H	α-helix	trans	-58	-46.9	176.8	-166.6	-171.8	-56.3	129.9	7.3	111.7	S448 N449 L454 D456 E457	S448-R452 PolarHBondContact O-N 3.21Å; N449-R452 PolarHBondContact O-N 3.31Å; R452-L454 VanDerWaalsContact C-N 3.26Å; R452-L454 PolarHBondContact O-N 3.44Å; R452-D456 WeakPolarHBondContact CA-OD2 3.37Å; R452-D456 HydrophobicContact CG-CB 4.13Å; R452-D456 WeakPolarHBondContact CG-OD2 3.33Å; R452-D456 WeakPolarHBondContact O-CA 3.41Å; R452-D456 WeakPolarHBondContact O-CB 3.5Å; R452-D456 PolarHBondContact O-N 2.76Å; R452-E457 WeakPolarHBondContact CD-OE1 3.38Å; R452-E457 HydrophobicContact CG-CG 4.2Å; R452-E457 WeakPolarHBondContact CG-OE1 3.44Å; R452-E457 PolarHBondContact O-N 3.08Å
453	R	94.8	Very high	82.1	Confident	19 Å²	19	60.6 Å²	60.6	7%	0.072	33%	0.326	C	S	.	.	H	α-helix	trans	-56.3	-39.7	174.2	-80	171.7	58.9	-152.9	-6.8	112.5	E23 I24 F26 N449 H451 E457 R458 F492	E23-R453 IonicContact OE1-NH1 3.73Å; I24-R453 PolarHBondContact O-NH1 2.9Å; I24-R453 PolarHBondContact O-NH2 3.15Å; F26-R453 HydrophobicContact CE2-CB 4.21Å; F26-R453 HydrophobicContact CZ-CB 3.9Å; N449-R453 WeakPolarHBondContact O-CB 3.27Å; N449-R453 WeakPolarHBondContact O-CG 3.45Å; N449-R453 PolarHBondContact O-N 2.97Å; N449-R453 WeakPolarHBondContact OD1-CD 3.49Å; N449-R453 WeakPolarHBondContact OD1-CG 3.35Å; H451-R453 PolarHBondContact O-N 3.24Å; R453-E457 WeakPolarHBondContact CG-OE2 3.27Å; R453-R458 VanDerWaalsContact O-CG 3.29Å; R453-R458 WeakPolarHBondContact O-CG 3.17Å; R453-F492 HydrophobicContact CB-CE1 4.12Å; R453-F492 HydrophobicContact CB-CZ 4.23Å; R453-F492 HydrophobicContact CG-CD1 4.28Å; R453-F492 HydrophobicContact CG-CE1 4.11Å; R453-F492 VanDerWaalsContact O-CZ 3.3Å; R453-F492 WeakPolarHBondContact O-CZ 3.45Å
454	L	96.3	Very high	84.7	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-77.7	-44.7	-175.8	-178.6	62.6	0	0	0	113.3	F26 M375 F376 N379 I380 I450 H451 R452 R458	F26-L454 HydrophobicContact CD2-CD1 4.43Å; F26-L454 HydrophobicContact CE2-CB 4.19Å; F26-L454 HydrophobicContact CE2-CD1 4.07Å; F26-L454 HydrophobicContact CZ-CB 3.81Å; F26-L454 HydrophobicContact CZ-CD1 4.17Å; M375-L454 HydrophobicContact CE-CD2 3.84Å; M375-L454 HydrophobicContact CG-CD2 3.88Å; M375-L454 HydrophobicContact SD-CD2 3.99Å; F376-L454 HydrophobicContact CD1-CD1 4.21Å; F376-L454 HydrophobicContact CD1-CD2 3.91Å; F376-L454 HydrophobicContact CE1-CD1 4.34Å; F376-L454 HydrophobicContact CE1-CD2 3.77Å; F376-L454 HydrophobicContact CE1-CG 4.46Å; N379-L454 HydrophobicContact CB-CD1 4.07Å; N379-L454 HydrophobicContact CB-CD2 4.38Å; N379-L454 HydrophobicContact CB-CG 4.47Å; I380-L454 HydrophobicContact CD1-CD1 3.44Å; I380-L454 VanDerWaalsContact CD1-CD1 3.44Å; I380-L454 HydrophobicContact CG1-CD1 4Å; I450-L454 WeakPolarHBondContact O-CB 3.17Å; I450-L454 PolarHBondContact O-N 3.49Å; H451-L454 PolarHBondContact O-N 3.13Å; R452-L454 VanDerWaalsContact C-N 3.26Å; R452-L454 PolarHBondContact O-N 3.44Å; L454-R458 PolarHBondContact O-NE 3.47Å
455	F	95.8	Very high	87.1	Confident	101 Å²	101	60.3 Å²	60.3	44%	0.443	32%	0.316	S	S	.	.	H	α-helix	trans	-101	-30.3	-168.7	-65.7	-64.4	0	0	0	113.9	M375 H451	M375-F455 HydrophobicContact CG-CE2 4.33Å; M375-F455 HydrophobicContact CG-CZ 3.87Å; M375-F455 HydrophobicContact SD-CE2 3.75Å; M375-F455 HydrophobicContact SD-CZ 3.91Å; H451-F455 HydrophobicContact CB-CD2 4.47Å; H451-F455 AromaticContact ND1-CD2 3.9Å; H451-F455 AromaticContact ND1-CE2 3.55Å; H451-F455 WeakPolarHBondContact O-CD2 3.49Å; H451-F455 PolarHBondContact O-N 3.07Å
456	D	95.1	Very high	89.9	Confident	100 Å²	100	55.2 Å²	55.2	54%	0.535	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-33.4	-170.4	-49.9	-32.9	0	0	0	112.8	R452	R452-D456 WeakPolarHBondContact CA-OD2 3.37Å; R452-D456 HydrophobicContact CG-CB 4.13Å; R452-D456 WeakPolarHBondContact CG-OD2 3.33Å; R452-D456 WeakPolarHBondContact O-CA 3.41Å; R452-D456 WeakPolarHBondContact O-CB 3.5Å; R452-D456 PolarHBondContact O-N 2.76Å
457	E	95.9	Very high	92.1	Very high	63 Å²	63	52.9 Å²	52.9	29%	0.294	27%	0.273	S	S	.	.	S	Bend	trans	-100.9	-9.1	-170.8	-64.4	174	-165.5	0	0	113.9	K28 R452 R453 F492	K28-E457 WeakPolarHBondContact CE-O 3.34Å; K28-E457 WeakPolarHBondContact CG-O 3.41Å; R452-E457 WeakPolarHBondContact CD-OE1 3.38Å; R452-E457 HydrophobicContact CG-CG 4.2Å; R452-E457 WeakPolarHBondContact CG-OE1 3.44Å; R452-E457 PolarHBondContact O-N 3.08Å; R453-E457 WeakPolarHBondContact CG-OE2 3.27Å; E457-F492 HydrophobicContact CB-CD1 4.43Å; E457-F492 HydrophobicContact CB-CE1 3.71Å
458	R	97.9	Very high	94.1	Very high	22 Å²	22	54.7 Å²	54.7	8%	0.083	28%	0.278	C	S	.	.			trans	-72.2	148.9	174.5	-71.8	-157.1	-58.7	158.1	2.6	111.6	F26 K28 Y30 S54 N379 I380 R453 L454 F492	F26-R458 HydrophobicContact CE2-CG 4.42Å; K28-R458 CarbonylContact O-C 3.56Å; K28-R458 VanDerWaalsContact O-CA 3.25Å; K28-R458 WeakPolarHBondContact O-CA 3.26Å; K28-R458 VanDerWaalsContact O-CB 3.23Å; K28-R458 WeakPolarHBondContact O-CB 3.11Å; Y30-R458 HydrophobicContact CD1-CB 3.69Å; Y30-R458 HydrophobicContact CE1-CB 3.86Å; S54-R458 PolarHBondContact OG-NH2 3.41Å; N379-R458 VanDerWaalsContact O-CZ 3.27Å; N379-R458 PolarHBondContact O-NH1 3.33Å; N379-R458 PolarHBondContact O-NH2 2.99Å; I380-R458 VanDerWaalsContact CD1-NH1 3.29Å; R453-R458 VanDerWaalsContact O-CG 3.29Å; R453-R458 WeakPolarHBondContact O-CG 3.17Å; L454-R458 PolarHBondContact O-NE 3.47Å; R458-F492 HydrophobicContact CG-CZ 3.96Å
459	T	97.7	Very high	95.3	Very high	50 Å²	50	54.5 Å²	54.5	31%	0.307	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	114.5	-178.2	-56.5	0	0	0	0	110.4	K28 F29 Y30	K28-T459 PolarHBondContact O-N 3.49Å; F29-T459 WeakPolarHBondContact CA-O 3.26Å; F29-T459 HydrophobicContact CD1-CG2 4.04Å; F29-T459 HydrophobicContact CE1-CG2 3.92Å; Y30-T459 WeakPolarHBondContact CD1-O 3.45Å; Y30-T459 PolarHBondContact N-O 2.93Å
460	Q	97.9	Very high	95.8	Very high	93 Å²	93	51.2 Å²	51.2	44%	0.435	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	132.7	172.1	-165.9	164.6	-37.7	0	0	109.9	Y30 D35	Y30-Q460 HydrophobicContact CD1-CB 4.43Å; Y30-Q460 HydrophobicContact CD2-CG 4.29Å; Y30-Q460 HydrophobicContact CE1-CB 3.77Å; Y30-Q460 HydrophobicContact CE1-CG 4.5Å; Y30-Q460 VanDerWaalsContact CE1-N 3.31Å; Y30-Q460 HydrophobicContact CE2-CB 3.86Å; Y30-Q460 HydrophobicContact CE2-CG 3.68Å; Y30-Q460 VanDerWaalsContact CZ-CB 3.45Å; Y30-Q460 CarbonylContact O-C 3.55Å; Y30-Q460 WeakPolarHBondContact O-CA 3.19Å; Y30-Q460 WeakPolarHBondContact OH-CB 3.33Å; Y30-Q460 PolarHBondContact OH-OE1 3.47Å; D35-Q460 PolarHBondContact OD2-NE2 3.09Å; D35-Q460 VanDerWaalsContact OD2-NE2 3.08Å
461	V	97.7	Very high	95.9	Very high	7 Å²	7	56.8 Å²	56.8	4%	0.042	28%	0.282	C	S	.	.			trans	-108.9	158.3	168.7	-55.9	0	0	0	0	110.5	F29 Y30 V31 F57 Q465 F466 M469	F29-V461 HydrophobicContact CD1-CG1 3.64Å; F29-V461 HydrophobicContact CE1-CG1 4.08Å; F29-V461 HydrophobicContact CG-CG1 4.22Å; Y30-V461 PolarHBondContact O-N 3.18Å; V31-V461 HydrophobicContact CB-CG2 4.32Å; F57-V461 HydrophobicContact CE1-CG2 3.61Å; F57-V461 HydrophobicContact CZ-CG1 4.34Å; F57-V461 HydrophobicContact CZ-CG2 3.58Å; V461-Q465 HydrophobicContact CB-CB 4.01Å; V461-F466 HydrophobicContact CG2-CB 3.87Å; V461-M469 HydrophobicContact CG1-CE 4.2Å
462	T	98.3	Very high	96	Very high	73 Å²	73	57.3 Å²	57.3	45%	0.448	29%	0.285	S	S	.	.			trans	-71.1	159.4	171.1	70.2	0	0	0	0	111.1	S464 Q465 F466	T462-S464 VanDerWaalsContact C-N 3.26Å; T462-S464 PolarHBondContact O-N 3.29Å; T462-Q465 PolarHBondContact O-N 3.17Å; T462-Q465 VanDerWaalsContact O-N 3.15Å; T462-Q465 WeakPolarHBondContact OG1-CG 3.33Å; T462-Q465 PolarHBondContact OG1-N 3.28Å; T462-Q465 PolarHBondContact OG1-OE1 3.29Å; T462-F466 PolarHBondContact O-N 3.03Å
463	V	97.3	Very high	96.2	Very high	19 Å²	19	53.3 Å²	53.3	12%	0.115	27%	0.27	C	S	.	.	H	α-helix	trans	-56.1	-42.9	175.8	178.1	0	0	0	0	111.2	V31 D35 L36 A39 Q465 F466 E467	V31-V463 HydrophobicContact CG2-CG2 4.16Å; D35-V463 HydrophobicContact CB-CG2 3.93Å; L36-V463 HydrophobicContact CD2-CG1 3.97Å; L36-V463 HydrophobicContact CD2-CG2 4.17Å; L36-V463 HydrophobicContact CG-CG2 4.47Å; A39-V463 HydrophobicContact CB-CB 4.21Å; A39-V463 HydrophobicContact CB-CG1 3.74Å; A39-V463 HydrophobicContact CB-CG2 4.08Å; V463-Q465 PolarHBondContact O-N 3.44Å; V463-F466 WeakPolarHBondContact O-CB 3.44Å; V463-F466 PolarHBondContact O-N 3.41Å; V463-E467 HydrophobicContact CG1-CG 4.35Å; V463-E467 WeakPolarHBondContact O-CG 3.44Å; V463-E467 PolarHBondContact O-N 3.41Å
464	S	97.2	Very high	96.1	Very high	88 Å²	88	57.8 Å²	57.8	62%	0.615	29%	0.291	S	S	*	.	H	α-helix	trans	-64.2	-38.1	178.5	-50	0	0	0	0	113	T462 L468	T462-S464 VanDerWaalsContact C-N 3.26Å; T462-S464 PolarHBondContact O-N 3.29Å; S464-L468 WeakPolarHBondContact O-CB 3.46Å; S464-L468 PolarHBondContact O-N 3.18Å
465	Q	97	Very high	96	Very high	94 Å²	94	63.6 Å²	63.6	44%	0.439	32%	0.322	S	S	.	.	H	α-helix	trans	-66.7	-42.6	174.4	-75.3	171.2	-32.1	0	0	111.4	V461 T462 V463 L468 M469	V461-Q465 HydrophobicContact CB-CB 4.01Å; T462-Q465 PolarHBondContact O-N 3.17Å; T462-Q465 VanDerWaalsContact O-N 3.15Å; T462-Q465 WeakPolarHBondContact OG1-CG 3.33Å; T462-Q465 PolarHBondContact OG1-N 3.28Å; T462-Q465 PolarHBondContact OG1-OE1 3.29Å; V463-Q465 PolarHBondContact O-N 3.44Å; Q465-L468 PolarHBondContact O-N 2.67Å; Q465-M469 WeakPolarHBondContact O-CG 3.41Å; Q465-M469 PolarHBondContact O-N 2.83Å
466	F	96.3	Very high	95.8	Very high	3 Å²	3	59.7 Å²	59.7	1%	0.013	31%	0.307	C	S	.	.	H	α-helix	trans	-59	-48.2	175.1	167.4	-116.8	0	0	0	111.8	V31 L36 L55 F57 R168 V461 T462 V463 L468 M469 L470	V31-F466 HydrophobicContact CB-CB 4.17Å; V31-F466 HydrophobicContact CB-CD1 4.46Å; V31-F466 HydrophobicContact CB-CG 4.15Å; V31-F466 HydrophobicContact CG1-CB 4.49Å; V31-F466 HydrophobicContact CG1-CD1 3.96Å; V31-F466 HydrophobicContact CG1-CD2 4.07Å; V31-F466 HydrophobicContact CG1-CE1 4.1Å; V31-F466 HydrophobicContact CG1-CE2 4.22Å; V31-F466 HydrophobicContact CG1-CG 3.92Å; V31-F466 HydrophobicContact CG1-CZ 4.21Å; V31-F466 HydrophobicContact CG2-CB 4.27Å; V31-F466 HydrophobicContact CG2-CD1 4.49Å; V31-F466 HydrophobicContact CG2-CG 4.47Å; L36-F466 HydrophobicContact CD2-CD1 4.04Å; L36-F466 HydrophobicContact CD2-CE1 4.02Å; L55-F466 HydrophobicContact CD2-CE1 4.28Å; L55-F466 HydrophobicContact CD2-CE2 4.17Å; L55-F466 HydrophobicContact CD2-CZ 3.58Å; F57-F466 HydrophobicContact CB-CE2 4.13Å; F57-F466 AromaticContact CD1-CD2 3.59Å; F57-F466 HydrophobicContact CD1-CD2 3.59Å; F57-F466 AromaticContact CD1-CE2 3.82Å; F57-F466 HydrophobicContact CD1-CE2 3.82Å; F57-F466 AromaticContact CD2-CD2 3.97Å; F57-F466 HydrophobicContact CD2-CD2 3.97Å; F57-F466 HydrophobicContact CD2-CE2 4.19Å; F57-F466 AromaticContact CE1-CD2 3.63Å; F57-F466 HydrophobicContact CE1-CD2 3.63Å; F57-F466 HydrophobicContact CE1-CE2 4.33Å; F57-F466 HydrophobicContact CE1-CG 4.48Å; F57-F466 AromaticContact CE2-CD2 3.99Å; F57-F466 HydrophobicContact CE2-CD2 3.99Å; F57-F466 AromaticContact CG-CD2 3.79Å; F57-F466 HydrophobicContact CG-CD2 3.79Å; F57-F466 AromaticContact CG-CE2 3.76Å; F57-F466 HydrophobicContact CG-CE2 3.76Å; F57-F466 HydrophobicContact CZ-CB 4.46Å; F57-F466 AromaticContact CZ-CD2 3.85Å; F57-F466 HydrophobicContact CZ-CD2 3.85Å; R168-F466 HydrophobicContact CG-CE1 4.18Å; R168-F466 HydrophobicContact CG-CZ 4.17Å; V461-F466 HydrophobicContact CG2-CB 3.87Å; T462-F466 PolarHBondContact O-N 3.03Å; V463-F466 WeakPolarHBondContact O-CB 3.44Å; V463-F466 PolarHBondContact O-N 3.41Å; F466-L468 VanDerWaalsContact C-N 3.32Å; F466-L468 PolarHBondContact O-N 2.89Å; F466-M469 PolarHBondContact O-N 3.44Å; F466-L470 HydrophobicContact CD1-CD1 4.34Å; F466-L470 HydrophobicContact CD2-CD1 4.34Å; F466-L470 HydrophobicContact CD2-CG 4.17Å; F466-L470 HydrophobicContact CE1-CD1 3.71Å; F466-L470 HydrophobicContact CE2-CD1 3.7Å; F466-L470 HydrophobicContact CE2-CD2 4.07Å; F466-L470 HydrophobicContact CE2-CG 3.76Å; F466-L470 HydrophobicContact CZ-CD1 3.36Å; F466-L470 HydrophobicContact CZ-CD2 4.44Å; F466-L470 HydrophobicContact CZ-CG 3.99Å; F466-L470 PolarHBondContact O-N 3.29Å
467	E	95	Very high	95.7	Very high	78 Å²	78	56.4 Å²	56.4	36%	0.364	29%	0.288	S	S	.	.	H	α-helix	trans	-62.6	-38	177.6	-69.9	-167.5	135.4	0	0	112.6	R168 V463 L470 K471	R168-E467 IonicContact CZ-OE1 3.98Å; R168-E467 IonicContact NH1-OE1 2.81Å; R168-E467 PolarHBondContact NH1-OE1 3.13Å; V463-E467 HydrophobicContact CG1-CG 4.35Å; V463-E467 WeakPolarHBondContact O-CG 3.44Å; V463-E467 PolarHBondContact O-N 3.41Å; E467-L470 PolarHBondContact O-N 2.96Å; E467-K471 WeakPolarHBondContact O-CB 3.49Å; E467-K471 PolarHBondContact O-N 2.91Å
468	L	95.4	Very high	95.5	Very high	93 Å²	93	56.7 Å²	56.7	49%	0.487	29%	0.292	S	S	.	.	H	α-helix	trans	-62.1	-48.1	174	-178.4	67.7	0	0	0	111.4	S464 Q465 F466 L470 K471 E472	S464-L468 WeakPolarHBondContact O-CB 3.46Å; S464-L468 PolarHBondContact O-N 3.18Å; Q465-L468 PolarHBondContact O-N 2.67Å; F466-L468 VanDerWaalsContact C-N 3.32Å; F466-L468 PolarHBondContact O-N 2.89Å; L468-L470 VanDerWaalsContact C-N 3.35Å; L468-L470 PolarHBondContact O-N 2.96Å; L468-K471 WeakPolarHBondContact O-CB 3.49Å; L468-K471 PolarHBondContact O-N 2.72Å; L468-K471 VanDerWaalsContact O-N 3.15Å; L468-E472 WeakPolarHBondContact O-CG 3.33Å; L468-E472 PolarHBondContact O-N 2.85Å
469	M	95.7	Very high	95.3	Very high	9 Å²	9	58 Å²	58	4%	0.044	30%	0.304	C	S	.	.	H	α-helix	trans	-65.8	-35.8	179.6	-68.3	-174.2	-160.9	0	0	112.4	F29 F57 V461 Q465 F466 K471 E472 R473	F29-M469 HydrophobicContact CD2-CE 4.44Å; F29-M469 HydrophobicContact CD2-SD 4.15Å; F29-M469 HydrophobicContact CE2-CE 4.05Å; F29-M469 HydrophobicContact CE2-SD 4.16Å; F29-M469 HydrophobicContact CZ-CE 4.17Å; F57-M469 HydrophobicContact CE2-CB 3.99Å; F57-M469 HydrophobicContact CE2-CG 4.43Å; F57-M469 HydrophobicContact CE2-SD 3.56Å; F57-M469 VanDerWaalsContact CE2-SD 3.56Å; F57-M469 HydrophobicContact CZ-SD 3.88Å; V461-M469 HydrophobicContact CG1-CE 4.2Å; Q465-M469 WeakPolarHBondContact O-CG 3.41Å; Q465-M469 PolarHBondContact O-N 2.83Å; F466-M469 PolarHBondContact O-N 3.44Å; M469-K471 VanDerWaalsContact C-N 3.34Å; M469-E472 PolarHBondContact O-N 3.23Å; M469-R473 PolarHBondContact O-N 3.37Å
470	L	94.3	Very high	95.2	Very high	20 Å²	20	57.1 Å²	57.1	11%	0.105	30%	0.302	C	S	.	.	H	α-helix	trans	-63.6	-40.5	171.5	-75.8	-175.4	0	0	0	111.8	V161 R168 F466 E467 L468 R473 Q474	V161-L470 HydrophobicContact CG1-CD2 4.26Å; R168-L470 HydrophobicContact CG-CD1 4.18Å; F466-L470 HydrophobicContact CD1-CD1 4.34Å; F466-L470 HydrophobicContact CD2-CD1 4.34Å; F466-L470 HydrophobicContact CD2-CG 4.17Å; F466-L470 HydrophobicContact CE1-CD1 3.71Å; F466-L470 HydrophobicContact CE2-CD1 3.7Å; F466-L470 HydrophobicContact CE2-CD2 4.07Å; F466-L470 HydrophobicContact CE2-CG 3.76Å; F466-L470 HydrophobicContact CZ-CD1 3.36Å; F466-L470 HydrophobicContact CZ-CD2 4.44Å; F466-L470 HydrophobicContact CZ-CG 3.99Å; F466-L470 PolarHBondContact O-N 3.29Å; E467-L470 PolarHBondContact O-N 2.96Å; L468-L470 VanDerWaalsContact C-N 3.35Å; L468-L470 PolarHBondContact O-N 2.96Å; L470-R473 PolarHBondContact O-N 3.48Å; L470-Q474 PolarHBondContact O-N 3.31Å
471	K	94.2	Very high	95.2	Very high	125 Å²	125	57.5 Å²	57.5	54%	0.543	31%	0.313	S	S	.	.	H	α-helix	trans	-65.3	-41.5	176.2	-171.9	176.6	-178.8	179.8	0	111.7	E467 L468 M469 R473 Q474 L475	E467-K471 WeakPolarHBondContact O-CB 3.49Å; E467-K471 PolarHBondContact O-N 2.91Å; L468-K471 WeakPolarHBondContact O-CB 3.49Å; L468-K471 PolarHBondContact O-N 2.72Å; L468-K471 VanDerWaalsContact O-N 3.15Å; M469-K471 VanDerWaalsContact C-N 3.34Å; K471-R473 VanDerWaalsContact C-N 3.3Å; K471-R473 PolarHBondContact O-N 3.04Å; K471-Q474 PolarHBondContact O-N 3.07Å; K471-L475 HydrophobicContact CG-CD1 4.08Å; K471-L475 HydrophobicContact CG-CG 4.47Å; K471-L475 WeakPolarHBondContact O-CB 3.43Å; K471-L475 VanDerWaalsContact O-CG 3.28Å; K471-L475 WeakPolarHBondContact O-CG 3.39Å; K471-L475 PolarHBondContact O-N 2.94Å
472	E	95.1	Very high	95.1	Very high	45 Å²	45	59.2 Å²	59.2	21%	0.21	32%	0.32	C	S	.	.	H	α-helix	trans	-57	-44.8	172.6	-72.9	175.3	-177.7	0	0	111.3	I60 L468 M469 L475 S476 R487	I60-E472 HydrophobicContact CD1-CB 4.46Å; I60-E472 HydrophobicContact CG2-CB 3.9Å; L468-E472 WeakPolarHBondContact O-CG 3.33Å; L468-E472 PolarHBondContact O-N 2.85Å; M469-E472 PolarHBondContact O-N 3.23Å; E472-L475 PolarHBondContact O-N 3.31Å; E472-S476 WeakPolarHBondContact O-CB 3.44Å; E472-S476 PolarHBondContact O-N 3.39Å; E472-S476 PolarHBondContact O-OG 3.43Å; E472-R487 IonicContact OE1-NH2 3.88Å; E472-R487 PolarHBondContact OE1-NH2 3.17Å; E472-R487 IonicContact OE2-CZ 3.76Å; E472-R487 IonicContact OE2-NH2 3.92Å; E472-R487 PolarHBondContact OE2-NH2 3.17Å
473	R	95.3	Very high	95	Very high	17 Å²	17	63.2 Å²	63.2	6%	0.064	33%	0.334	C	S	.	.	H	α-helix	trans	-62.7	-44.4	176.6	-173.5	175.5	179.6	83.5	15.7	112.5	I60 E62 E211 M469 L470 K471 L475 S476 H477	I60-R473 HydrophobicContact CG2-CB 3.98Å; E62-R473 PolarHBondContact O-NH1 2.78Å; E62-R473 VanDerWaalsContact O-NH1 3.1Å; E211-R473 IonicContact OE1-CZ 2.76Å; E211-R473 IonicContact OE1-NE 2.81Å; E211-R473 IonicContact OE1-NH2 3.93Å; E211-R473 PolarHBondContact OE1-NH2 2.81Å; E211-R473 IonicContact OE2-CZ 3.01Å; E211-R473 VanDerWaalsContact OE2-CZ 3.26Å; E211-R473 IonicContact OE2-NE 3.71Å; E211-R473 PolarHBondContact OE2-NE 3.01Å; E211-R473 IonicContact OE2-NH2 3.81Å; E211-R473 PolarHBondContact OE2-NH2 2.85Å; M469-R473 PolarHBondContact O-N 3.37Å; L470-R473 PolarHBondContact O-N 3.48Å; K471-R473 VanDerWaalsContact C-N 3.3Å; K471-R473 PolarHBondContact O-N 3.04Å; R473-L475 VanDerWaalsContact C-N 3.34Å; R473-L475 PolarHBondContact O-N 2.92Å; R473-S476 WeakPolarHBondContact CA-OG 3.32Å; R473-S476 PolarHBondContact O-N 3.05Å; R473-S476 PolarHBondContact O-OG 3.3Å; R473-H477 PolarHBondContact O-N 3.47Å; R473-H477 VanDerWaalsContact O-N 3.07Å
474	Q	93.4	Very high	94.9	Very high	113 Å²	113	62.8 Å²	62.8	53%	0.528	33%	0.331	S	S	.	.	H	α-helix	trans	-60.5	-43.8	176.7	-175.7	-179.5	0.1	0	0	112	Y212 L470 K471	Y212-Q474 HydrophobicContact CE2-CG 4.24Å; Y212-Q474 PolarHBondContact OH-OE1 3.37Å; L470-Q474 PolarHBondContact O-N 3.31Å; K471-Q474 PolarHBondContact O-N 3.07Å
475	L	93.1	Very high	94.6	Very high	122 Å²	122	62.3 Å²	62.3	64%	0.639	32%	0.324	S	S	*	.	H	α-helix	trans	-72.3	-34.3	-178.1	-69.2	171.7	0	0	0	112.8	K471 E472 R473 S479	K471-L475 HydrophobicContact CG-CD1 4.08Å; K471-L475 HydrophobicContact CG-CG 4.47Å; K471-L475 WeakPolarHBondContact O-CB 3.43Å; K471-L475 VanDerWaalsContact O-CG 3.28Å; K471-L475 WeakPolarHBondContact O-CG 3.39Å; K471-L475 PolarHBondContact O-N 2.94Å; E472-L475 PolarHBondContact O-N 3.31Å; R473-L475 VanDerWaalsContact C-N 3.34Å; R473-L475 PolarHBondContact O-N 2.92Å; L475-S479 PolarHBondContact O-OG 2.86Å
476	S	93.1	Very high	94.4	Very high	19 Å²	19	63 Å²	63	13%	0.133	33%	0.326	C	S	.	.	H	α-helix	trans	-82.9	-12.4	179.5	54.8	0	0	0	0	113.8	E472 R473 N478 S479	E472-S476 WeakPolarHBondContact O-CB 3.44Å; E472-S476 PolarHBondContact O-N 3.39Å; E472-S476 PolarHBondContact O-OG 3.43Å; R473-S476 WeakPolarHBondContact CA-OG 3.32Å; R473-S476 PolarHBondContact O-N 3.05Å; R473-S476 PolarHBondContact O-OG 3.3Å; S476-N478 PolarHBondContact O-N 2.94Å; S476-S479 VanDerWaalsContact O-CB 3.27Å; S476-S479 WeakPolarHBondContact O-CB 3.39Å; S476-S479 PolarHBondContact O-N 3.2Å; S476-S479 PolarHBondContact O-OG 2.98Å
477	H	92.8	Very high	94.3	Very high	32 Å²	32	64.8 Å²	64.8	15%	0.148	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	125.3	178.5	-173.2	69.7	0	0	0	110.8	S209 E211 R473 S479	S209-H477 PolarHBondContact O-CD2 3.11Å; E211-H477 WeakPolarHBondContact CG-CE1 3.26Å; E211-H477 WeakPolarHBondContact CG-ND1 3.32Å; E211-H477 IonicContact OE1-CE1 3.69Å; E211-H477 IonicContact OE1-CG 2.87Å; E211-H477 IonicContact OE1-ND1 3.62Å; E211-H477 PolarHBondContact OE1-ND1 3.11Å; R473-H477 PolarHBondContact O-N 3.47Å; R473-H477 VanDerWaalsContact O-N 3.07Å; H477-S479 PolarHBondContact O-N 2.67Å
478	N	91.5	Very high	94.1	Very high	68 Å²	68	63.5 Å²	63.5	36%	0.364	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	20.3	-174.2	-58.2	-33.8	0	0	0	116.1	S476	S476-N478 PolarHBondContact O-N 2.94Å
479	S	94	Very high	94	Very high	49 Å²	49	63.9 Å²	63.9	34%	0.343	33%	0.331	S	S	.	.			trans	-82.7	140.4	175.2	-66.2	0	0	0	0	112.8	L475 S476 H477	L475-S479 PolarHBondContact O-OG 2.86Å; S476-S479 VanDerWaalsContact O-CB 3.27Å; S476-S479 WeakPolarHBondContact O-CB 3.39Å; S476-S479 PolarHBondContact O-N 3.2Å; S476-S479 PolarHBondContact O-OG 2.98Å; H477-S479 PolarHBondContact O-N 2.67Å
480	A	95	Very high	93.9	Very high	32 Å²	32	63.5 Å²	63.5	26%	0.264	33%	0.328	S	S	.	.	S	Bend	trans	-156.5	138.7	173.2	0	0	0	0	0	110.3	V501 D502 Y505	A480-V501 HydrophobicContact CB-CG1 4.23Å; A480-D502 WeakPolarHBondContact CB-O 3.39Å; A480-Y505 HydrophobicContact CB-CD1 3.61Å; A480-Y505 HydrophobicContact CB-CD2 4.25Å; A480-Y505 HydrophobicContact CB-CE1 3.5Å; A480-Y505 VanDerWaalsContact CB-CE1 3.5Å; A480-Y505 HydrophobicContact CB-CE2 4.14Å; A480-Y505 HydrophobicContact CB-CG 3.99Å
481	P	96.8	Very high	94.1	Very high	102 Å²	102	62.6 Å²	62.6	66%	0.662	32%	0.324	S	S	*	.	S	Bend	cis	-64.8	152.3	-12.1	31.3	-35.8	0	0	0	110.9	V501	P481-V501 CarbonylContact C-O 3.19Å; P481-V501 WeakPolarHBondContact CA-O 3.49Å
482	F	96.1	Very high	94.2	Very high	42 Å²	42	57 Å²	57	18%	0.184	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-149.5	134.5	-176.7	170.7	-118	0	0	0	110.8	I60 P484 L498 N500 V501	I60-F482 HydrophobicContact CB-CZ 4.28Å; I60-F482 HydrophobicContact CD1-CZ 4.03Å; F482-P484 HydrophobicContact CD1-CG 4.2Å; F482-P484 HydrophobicContact CE1-CB 4.18Å; F482-P484 HydrophobicContact CE1-CG 3.57Å; F482-P484 HydrophobicContact CZ-CB 4.07Å; F482-P484 HydrophobicContact CZ-CG 3.96Å; F482-L498 HydrophobicContact CE1-CD2 4.37Å; F482-N500 CarbonylContact O-C 3.48Å; F482-N500 WeakPolarHBondContact O-CA 3.43Å; F482-V501 HydrophobicContact CB-CB 4.21Å; F482-V501 HydrophobicContact CB-CG2 4.48Å; F482-V501 HydrophobicContact CD1-CG2 4.08Å; F482-V501 PolarHBondContact N-O 3.01Å; F482-V501 PolarHBondContact O-N 2.81Å
483	E	96.6	Very high	94.2	Very high	158 Å²	158	58 Å²	58	74%	0.738	31%	0.31	S	S	*	.			trans	-124.7	110.1	174.2	-167.3	169.6	175.5	0	0	108	N500	E483-N500 HydrophobicContact CG-CB 4.5Å
484	P	95.4	Very high	94.3	Very high	9 Å²	9	57.1 Å²	57.1	6%	0.058	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-62.3	138.9	179.4	-18.7	29.4	0	0	0	111.3	I60 Q61 F482 F486 L498 K499	I60-P484 HydrophobicContact CB-CB 4.46Å; I60-P484 HydrophobicContact CD1-CB 4.16Å; I60-P484 HydrophobicContact CG1-CB 4.04Å; Q61-P484 HydrophobicContact CG-CB 3.82Å; F482-P484 HydrophobicContact CD1-CG 4.2Å; F482-P484 HydrophobicContact CE1-CB 4.18Å; F482-P484 HydrophobicContact CE1-CG 3.57Å; F482-P484 HydrophobicContact CZ-CB 4.07Å; F482-P484 HydrophobicContact CZ-CG 3.96Å; P484-F486 PolarHBondContact O-N 2.97Å; P484-F486 VanDerWaalsContact O-N 3.08Å; P484-L498 HydrophobicContact CG-CB 4.16Å; P484-L498 HydrophobicContact CG-CD2 3.82Å; P484-L498 HydrophobicContact CG-CG 3.86Å; P484-L498 WeakPolarHBondContact CG-O 3.4Å; P484-K499 WeakPolarHBondContact CD-O 3.42Å
485	T	91	Very high	94.5	Very high	78 Å²	78	51.8 Å²	51.8	48%	0.479	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-55.6	118	169.4	-53.7	0	0	0	0	109.6	Q61 R487	Q61-T485 WeakPolarHBondContact CG-O 3.28Å; Q61-T485 PolarHBondContact NE2-O 3.04Å; T485-R487 HydrophobicContact CG2-CG 4.35Å
486	F	92.2	Very high	94.7	Very high	108 Å²	108	47.9 Å²	47.9	47%	0.474	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-73.3	125.9	179.8	-169.3	-118.1	0	0	0	111.1	P484 P488 Y497 L512	P484-F486 PolarHBondContact O-N 2.97Å; P484-F486 VanDerWaalsContact O-N 3.08Å; F486-P488 HydrophobicContact CD1-CG 4.24Å; F486-P488 HydrophobicContact CE1-CB 3.81Å; F486-P488 HydrophobicContact CE1-CG 3.77Å; F486-P488 HydrophobicContact CZ-CB 3.82Å; F486-P488 HydrophobicContact CZ-CG 4.3Å; F486-Y497 HydrophobicContact CD2-CD2 4.17Å; F486-Y497 AromaticContact CD2-CE2 3.95Å; F486-Y497 HydrophobicContact CD2-CE2 3.95Å; F486-Y497 HydrophobicContact CE2-CD1 4.32Å; F486-Y497 AromaticContact CE2-CD2 3.91Å; F486-Y497 HydrophobicContact CE2-CD2 3.91Å; F486-Y497 HydrophobicContact CE2-CE1 4Å; F486-Y497 AromaticContact CE2-CE2 3.57Å; F486-Y497 HydrophobicContact CE2-CE2 3.57Å; F486-Y497 HydrophobicContact CE2-CG 4.28Å; F486-Y497 AromaticContact CE2-CZ 3.63Å; F486-L512 HydrophobicContact CZ-CD1 4.32Å
487	R	93.5	Very high	95	Very high	42 Å²	42	48.4 Å²	48.4	16%	0.158	26%	0.258	C	S	.	.			trans	-139.3	73.2	-175.6	-53.9	-179.5	-167.1	-130.8	6.8	108.5	E472 T485 E489 G490	E472-R487 IonicContact OE1-NH2 3.88Å; E472-R487 PolarHBondContact OE1-NH2 3.17Å; E472-R487 IonicContact OE2-CZ 3.76Å; E472-R487 IonicContact OE2-NH2 3.92Å; E472-R487 PolarHBondContact OE2-NH2 3.17Å; T485-R487 HydrophobicContact CG2-CG 4.35Å; R487-E489 WeakPolarHBondContact CA-OE2 3.43Å; R487-E489 WeakPolarHBondContact CB-OE1 3.46Å; R487-E489 PolarHBondContact O-N 3.16Å; R487-E489 VanDerWaalsContact O-N 3.17Å; R487-G490 PolarHBondContact O-N 3.07Å
488	P	92.3	Very high	95.2	Very high	51 Å²	51	47.2 Å²	47.2	33%	0.331	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-60.8	-25.1	-174.1	25.3	-34.2	0	0	0	112.9	F486 G490 L491 L512	F486-P488 HydrophobicContact CD1-CG 4.24Å; F486-P488 HydrophobicContact CE1-CB 3.81Å; F486-P488 HydrophobicContact CE1-CG 3.77Å; F486-P488 HydrophobicContact CZ-CB 3.82Å; F486-P488 HydrophobicContact CZ-CG 4.3Å; P488-G490 PolarHBondContact O-N 3.29Å; P488-L491 PolarHBondContact O-N 3.04Å; P488-L491 VanDerWaalsContact O-N 3.12Å; P488-L512 HydrophobicContact CB-CD1 4.18Å
489	E	92.7	Very high	95.5	Very high	101 Å²	101	49.2 Å²	49.2	47%	0.472	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-59.7	-27.6	174.6	69	-79.9	-171.7	0	0	112.8	K28 F29 R487 L491	K28-E489 WeakPolarHBondContact CD-O 3.45Å; K28-E489 WeakPolarHBondContact CE-O 3.43Å; K28-E489 PolarHBondContact NZ-O 3.49Å; F29-E489 HydrophobicContact CE1-CG 4.4Å; F29-E489 HydrophobicContact CZ-CG 4.11Å; R487-E489 WeakPolarHBondContact CA-OE2 3.43Å; R487-E489 WeakPolarHBondContact CB-OE1 3.46Å; R487-E489 PolarHBondContact O-N 3.16Å; R487-E489 VanDerWaalsContact O-N 3.17Å; E489-L491 VanDerWaalsContact C-N 3.29Å; E489-L491 PolarHBondContact O-N 3.04Å
490	G	93.9	Very high	95.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-82.7	2.5	177.7	0	0	0	0	0	115.5	K28 R487 P488	K28-G490 WeakPolarHBondContact CB-O 2.99Å; R487-G490 PolarHBondContact O-N 3.07Å; P488-G490 PolarHBondContact O-N 3.29Å
491	L	97.4	Very high	95.9	Very high	1 Å²	1	48 Å²	48	1%	0.005	24%	0.244	C	C	.	.	S	Bend	trans	-120.6	146.4	-176.7	-63.8	174.6	0	0	0	110.4	K28 E62 P488 E489 Y497 L512	K28-L491 VanDerWaalsContact CD-C 3.48Å; K28-L491 WeakPolarHBondContact CD-O 3.11Å; K28-L491 PolarHBondContact NZ-O 3.04Å; K28-L491 VanDerWaalsContact NZ-O 3.14Å; E62-L491 HydrophobicContact CG-CD2 3.6Å; P488-L491 PolarHBondContact O-N 3.04Å; P488-L491 VanDerWaalsContact O-N 3.12Å; E489-L491 VanDerWaalsContact C-N 3.29Å; E489-L491 PolarHBondContact O-N 3.04Å; L491-Y497 HydrophobicContact CD1-CD1 3.95Å; L491-Y497 HydrophobicContact CD1-CG 4.01Å; L491-L512 HydrophobicContact CB-CD2 3.81Å
492	F	97	Very high	95.9	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.031	22%	0.217	C	C	.	.			trans	-77.7	149.1	167	-70.5	-70.7	0	0	0	109.6	Y25 F26 K28 R453 E457 R458 G494 S495	Y25-F492 HydrophobicContact CE2-CD2 4.2Å; F26-F492 HydrophobicContact CD2-CE2 4.11Å; F26-F492 HydrophobicContact CD2-CZ 4.44Å; F26-F492 HydrophobicContact CE2-CE2 4.04Å; F26-F492 AromaticContact CE2-CZ 4Å; F26-F492 HydrophobicContact CE2-CZ 4Å; F26-F492 WeakPolarHBondContact O-CE2 3.47Å; K28-F492 HydrophobicContact CB-CD2 4.01Å; K28-F492 HydrophobicContact CB-CE1 4.35Å; K28-F492 HydrophobicContact CB-CE2 3.73Å; K28-F492 HydrophobicContact CB-CG 4.44Å; K28-F492 HydrophobicContact CB-CZ 3.92Å; K28-F492 HydrophobicContact CD-CD1 4.03Å; K28-F492 HydrophobicContact CD-CE1 4.1Å; K28-F492 HydrophobicContact CD-CG 4.33Å; K28-F492 HydrophobicContact CD-CZ 4.47Å; K28-F492 HydrophobicContact CG-CD1 4.24Å; K28-F492 HydrophobicContact CG-CD2 4.49Å; K28-F492 HydrophobicContact CG-CE1 3.86Å; K28-F492 HydrophobicContact CG-CE2 4.14Å; K28-F492 HydrophobicContact CG-CZ 3.81Å; R453-F492 HydrophobicContact CB-CE1 4.12Å; R453-F492 HydrophobicContact CB-CZ 4.23Å; R453-F492 HydrophobicContact CG-CD1 4.28Å; R453-F492 HydrophobicContact CG-CE1 4.11Å; R453-F492 VanDerWaalsContact O-CZ 3.3Å; R453-F492 WeakPolarHBondContact O-CZ 3.45Å; E457-F492 HydrophobicContact CB-CD1 4.43Å; E457-F492 HydrophobicContact CB-CE1 3.71Å; R458-F492 HydrophobicContact CG-CZ 3.96Å; F492-G494 PolarHBondContact O-N 3.33Å; F492-S495 PolarHBondContact N-OG 3.32Å; F492-S495 WeakPolarHBondContact O-CB 3.21Å; F492-S495 PolarHBondContact O-N 3.43Å; F492-S495 PolarHBondContact O-OG 2.88Å
493	P	95.7	Very high	96	Very high	66 Å²	66	47.3 Å²	47.3	43%	0.429	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	136.4	169.5	-23.4	33.1	0	0	0	111	S495 S513 E514	P493-S495 VanDerWaalsContact C-N 3.3Å; P493-S495 PolarHBondContact O-N 2.99Å; P493-S513 WeakPolarHBondContact CA-O 3.41Å; P493-E514 WeakPolarHBondContact CB-OXT 3.42Å
494	G	95.9	Very high	96.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-4.4	-174.3	0	0	0	0	0	116.2	F492 K511 L512	F492-G494 PolarHBondContact O-N 3.33Å; G494-K511 VanDerWaalsContact O-CE 3.25Å; G494-K511 WeakPolarHBondContact O-CE 2.7Å; G494-L512 VanDerWaalsContact CA-O 3.25Å; G494-L512 WeakPolarHBondContact CA-O 3.47Å; G494-L512 PolarHBondContact N-O 3.23Å; G494-L512 VanDerWaalsContact N-O 3.1Å
495	S	98	Very high	96.2	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.007	26%	0.258	C	S	.	.			trans	-64.5	136.7	174.1	-74.8	0	0	0	0	111.9	Y25 F492 P493 L512	Y25-S495 WeakPolarHBondContact CE2-OG 3.28Å; Y25-S495 PolarHBondContact OH-OG 3.47Å; Y25-S495 VanDerWaalsContact OH-OG 3.09Å; F492-S495 PolarHBondContact N-OG 3.32Å; F492-S495 WeakPolarHBondContact O-CB 3.21Å; F492-S495 PolarHBondContact O-N 3.43Å; F492-S495 PolarHBondContact O-OG 2.88Å; P493-S495 VanDerWaalsContact C-N 3.3Å; P493-S495 PolarHBondContact O-N 2.99Å; S495-L512 PolarHBondContact O-N 3.35Å
496	Y	98.4	Very high	96.5	Very high	39 Å²	39	57 Å²	57	15%	0.153	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	149	164	-74.6	-105.3	0	0	0	110	L69 T70 L110 G510 K511	L69-Y496 HydrophobicContact CB-CD1 3.94Å; L69-Y496 HydrophobicContact CB-CD2 3.81Å; L69-Y496 HydrophobicContact CB-CE1 4.38Å; L69-Y496 HydrophobicContact CB-CE2 4.28Å; L69-Y496 HydrophobicContact CB-CG 3.62Å; L69-Y496 HydrophobicContact CD1-CD1 3.89Å; L69-Y496 HydrophobicContact CD1-CE1 4.43Å; L69-Y496 HydrophobicContact CD1-CG 4.29Å; L69-Y496 HydrophobicContact CG-CD1 4.41Å; T70-Y496 PolarHBondContact OG1-N 2.87Å; L110-Y496 WeakPolarHBondContact CD2-OH 3.49Å; Y496-G510 CarbonylContact C-O 3.56Å; Y496-G510 WeakPolarHBondContact CA-O 3.08Å; Y496-K511 HydrophobicContact CD1-CB 4.28Å; Y496-K511 HydrophobicContact CD2-CD 4.44Å; Y496-K511 HydrophobicContact CD2-CG 4.23Å; Y496-K511 HydrophobicContact CE1-CB 4.18Å; Y496-K511 HydrophobicContact CE2-CB 4.43Å; Y496-K511 HydrophobicContact CE2-CD 3.78Å; Y496-K511 HydrophobicContact CE2-CG 4.05Å; Y496-K511 HydrophobicContact CG-CB 4.48Å
497	Y	98.3	Very high	96.8	Very high	31 Å²	31	55.3 Å²	55.3	12%	0.122	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	151.4	178.1	62.3	-89.7	0	0	0	111	Q61 F486 L491 K499 Y509 G510 L512	Q61-Y497 CarbonylContact O-C 3.37Å; Q61-Y497 WeakPolarHBondContact O-CA 3.44Å; F486-Y497 HydrophobicContact CD2-CD2 4.17Å; F486-Y497 AromaticContact CD2-CE2 3.95Å; F486-Y497 HydrophobicContact CD2-CE2 3.95Å; F486-Y497 HydrophobicContact CE2-CD1 4.32Å; F486-Y497 AromaticContact CE2-CD2 3.91Å; F486-Y497 HydrophobicContact CE2-CD2 3.91Å; F486-Y497 HydrophobicContact CE2-CE1 4Å; F486-Y497 AromaticContact CE2-CE2 3.57Å; F486-Y497 HydrophobicContact CE2-CE2 3.57Å; F486-Y497 HydrophobicContact CE2-CG 4.28Å; F486-Y497 AromaticContact CE2-CZ 3.63Å; L491-Y497 HydrophobicContact CD1-CD1 3.95Å; L491-Y497 HydrophobicContact CD1-CG 4.01Å; Y497-K499 HydrophobicContact CD2-CG 4.35Å; Y497-K499 HydrophobicContact CE2-CG 3.64Å; Y497-K499 PolarHBondContact O-N 3.32Å; Y497-Y509 CarbonylContact O-C 3.53Å; Y497-Y509 WeakPolarHBondContact O-CA 3.21Å; Y497-G510 PolarHBondContact N-O 3.07Å; Y497-G510 PolarHBondContact O-N 2.91Å; Y497-L512 HydrophobicContact CE1-CB 4.47Å
498	L	98.2	Very high	97	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.031	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	114	173.3	-178	64.4	0	0	0	109.1	Q61 F482 P484 V501 R507 Y509	Q61-L498 PolarHBondContact O-N 2.93Å; F482-L498 HydrophobicContact CE1-CD2 4.37Å; P484-L498 HydrophobicContact CG-CB 4.16Å; P484-L498 HydrophobicContact CG-CD2 3.82Å; P484-L498 HydrophobicContact CG-CG 3.86Å; P484-L498 WeakPolarHBondContact CG-O 3.4Å; L498-V501 HydrophobicContact CD1-CG2 4.13Å; L498-V501 HydrophobicContact CD2-CG2 3.98Å; L498-V501 HydrophobicContact CG-CG2 4.44Å; L498-R507 HydrophobicContact CD1-CB 3.83Å; L498-R507 HydrophobicContact CD1-CG 4.22Å; L498-Y509 HydrophobicContact CB-CE1 4.46Å; L498-Y509 HydrophobicContact CD1-CD1 4.45Å; L498-Y509 HydrophobicContact CD1-CE1 3.99Å
499	K	97.6	Very high	97.3	Very high	110 Å²	110	57 Å²	57	48%	0.478	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-52.3	174.5	-101.4	-173.7	171.4	-176.6	0	111.1	P484 Y497 F508	P484-K499 WeakPolarHBondContact CD-O 3.42Å; Y497-K499 HydrophobicContact CD2-CG 4.35Å; Y497-K499 HydrophobicContact CE2-CG 3.64Å; Y497-K499 PolarHBondContact O-N 3.32Å; K499-F508 WeakPolarHBondContact CB-O 3.4Å; K499-F508 PolarHBondContact N-O 3.03Å
500	N	98	Very high	97.5	Very high	51 Å²	51	52.5 Å²	52.5	27%	0.273	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	163.4	-179.9	69	-75	0	0	0	111.2	F482 E483 F508	F482-N500 CarbonylContact O-C 3.48Å; F482-N500 WeakPolarHBondContact O-CA 3.43Å; E483-N500 HydrophobicContact CG-CB 4.5Å; N500-F508 VanDerWaalsContact ND2-CD2 3.31Å; N500-F508 WeakPolarHBondContact ND2-CD2 3.5Å; N500-F508 PolarHBondContact O-N 3.05Å; N500-F508 WeakPolarHBondContact OD1-CB 3.24Å
501	V	98.3	Very high	97.7	Very high	6 Å²	6	56.3 Å²	56.3	4%	0.036	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.5	167.1	-171.9	0	0	0	0	106.8	A480 P481 F482 L498 R506 R507	A480-V501 HydrophobicContact CB-CG1 4.23Å; P481-V501 CarbonylContact C-O 3.19Å; P481-V501 WeakPolarHBondContact CA-O 3.49Å; F482-V501 HydrophobicContact CB-CB 4.21Å; F482-V501 HydrophobicContact CB-CG2 4.48Å; F482-V501 HydrophobicContact CD1-CG2 4.08Å; F482-V501 PolarHBondContact N-O 3.01Å; F482-V501 PolarHBondContact O-N 2.81Å; L498-V501 HydrophobicContact CD1-CG2 4.13Å; L498-V501 HydrophobicContact CD2-CG2 3.98Å; L498-V501 HydrophobicContact CG-CG2 4.44Å; V501-R506 WeakPolarHBondContact CA-O 3.25Å; V501-R507 HydrophobicContact CG2-CG 4.16Å
502	D	98.1	Very high	97.6	Very high	19 Å²	19	57.7 Å²	57.7	10%	0.102	26%	0.255	C	S	.	.			trans	-82.2	179.2	177.9	70.4	16.6	0	0	0	113.2	A480 R504 Y505 R506 F508	A480-D502 WeakPolarHBondContact CB-O 3.39Å; D502-R504 PolarHBondContact O-N 3.41Å; D502-R504 VanDerWaalsContact O-N 3.08Å; D502-R504 WeakPolarHBondContact OD1-CA 3.3Å; D502-R504 PolarHBondContact OD1-N 2.81Å; D502-Y505 PolarHBondContact O-N 2.64Å; D502-Y505 PolarHBondContact OD1-N 3.42Å; D502-R506 PolarHBondContact N-O 2.87Å; D502-R506 WeakPolarHBondContact OD1-CB 3.42Å; D502-R506 PolarHBondContact OD1-N 2.73Å; D502-R506 IonicContact OD1-NE 3.62Å; D502-R506 PolarHBondContact OD1-NE 2.87Å; D502-R506 IonicContact OD2-CZ 2.89Å; D502-R506 IonicContact OD2-NE 3.71Å; D502-R506 PolarHBondContact OD2-NE 3.14Å; D502-R506 IonicContact OD2-NH2 3.86Å; D502-R506 PolarHBondContact OD2-NH2 3.22Å; D502-F508 HydrophobicContact CB-CE2 4.1Å
503	D	97.7	Very high	97.4	Very high	109 Å²	109	62 Å²	62	58%	0.583	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-14.2	179.3	66.4	-31.6	0	0	0	114.3
504	R	97.6	Very high	96.7	Very high	176 Å²	176	66.2 Å²	66.2	66%	0.664	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	18.8	176.5	-60.1	-175.3	-177.1	-164.8	-0.8	112.5	D502 R506	D502-R504 PolarHBondContact O-N 3.41Å; D502-R504 VanDerWaalsContact O-N 3.08Å; D502-R504 WeakPolarHBondContact OD1-CA 3.3Å; D502-R504 PolarHBondContact OD1-N 2.81Å; R504-R506 HydrophobicContact CB-CG 4.34Å; R504-R506 PolarHBondContact O-N 3.35Å; R504-R506 VanDerWaalsContact O-N 3.16Å
505	Y	97.4	Very high	96.7	Very high	148 Å²	148	69.6 Å²	69.6	58%	0.58	32%	0.315	S	S	*	.			trans	62.4	16.4	179.4	-59.7	-95.2	0	0	0	114.2	A480 D502	A480-Y505 HydrophobicContact CB-CD1 3.61Å; A480-Y505 HydrophobicContact CB-CD2 4.25Å; A480-Y505 HydrophobicContact CB-CE1 3.5Å; A480-Y505 VanDerWaalsContact CB-CE1 3.5Å; A480-Y505 HydrophobicContact CB-CE2 4.14Å; A480-Y505 HydrophobicContact CB-CG 3.99Å; D502-Y505 PolarHBondContact O-N 2.64Å; D502-Y505 PolarHBondContact OD1-N 3.42Å
506	R	98.2	Very high	96.6	Very high	126 Å²	126	73.2 Å²	73.2	48%	0.475	33%	0.331	S	S	.	.			trans	-77.8	127.8	175.9	-58.4	173.9	-69	-177.3	2	108.3	V501 D502 R504 F508	V501-R506 WeakPolarHBondContact CA-O 3.25Å; D502-R506 PolarHBondContact N-O 2.87Å; D502-R506 WeakPolarHBondContact OD1-CB 3.42Å; D502-R506 PolarHBondContact OD1-N 2.73Å; D502-R506 IonicContact OD1-NE 3.62Å; D502-R506 PolarHBondContact OD1-NE 2.87Å; D502-R506 IonicContact OD2-CZ 2.89Å; D502-R506 IonicContact OD2-NE 3.71Å; D502-R506 PolarHBondContact OD2-NE 3.14Å; D502-R506 IonicContact OD2-NH2 3.86Å; D502-R506 PolarHBondContact OD2-NH2 3.22Å; R504-R506 HydrophobicContact CB-CG 4.34Å; R504-R506 PolarHBondContact O-N 3.35Å; R504-R506 VanDerWaalsContact O-N 3.16Å; R506-F508 HydrophobicContact CB-CE2 4.06Å; R506-F508 HydrophobicContact CB-CZ 4.24Å; R506-F508 WeakPolarHBondContact O-CD2 3.39Å; R506-F508 WeakPolarHBondContact O-CE2 3.48Å
507	R	98.3	Very high	96.5	Very high	71 Å²	71	75.1 Å²	75.1	27%	0.268	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131.9	-177.5	-59.3	-174.9	176.4	-119.9	-7	110.5	D63 L498 V501 Y509	D63-R507 IonicContact OD2-CZ 2.79Å; D63-R507 IonicContact OD2-NE 3.26Å; D63-R507 IonicContact OD2-NH1 3.67Å; D63-R507 PolarHBondContact OD2-NH1 2.9Å; L498-R507 HydrophobicContact CD1-CB 3.83Å; L498-R507 HydrophobicContact CD1-CG 4.22Å; V501-R507 HydrophobicContact CG2-CG 4.16Å; R507-Y509 HydrophobicContact CB-CE2 3.97Å; R507-Y509 VanDerWaalsContact CB-OH 3.25Å; R507-Y509 WeakPolarHBondContact CB-OH 3.42Å; R507-Y509 VanDerWaalsContact CD-OH 3.22Å; R507-Y509 WeakPolarHBondContact CD-OH 3.22Å
508	F	98.3	Very high	96.4	Very high	90 Å²	90	77.6 Å²	77.6	40%	0.395	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.8	178.6	-58.6	-93.8	0	0	0	109.6	K499 N500 D502 R506	K499-F508 WeakPolarHBondContact CB-O 3.4Å; K499-F508 PolarHBondContact N-O 3.03Å; N500-F508 VanDerWaalsContact ND2-CD2 3.31Å; N500-F508 WeakPolarHBondContact ND2-CD2 3.5Å; N500-F508 PolarHBondContact O-N 3.05Å; N500-F508 WeakPolarHBondContact OD1-CB 3.24Å; D502-F508 HydrophobicContact CB-CE2 4.1Å; R506-F508 HydrophobicContact CB-CE2 4.06Å; R506-F508 HydrophobicContact CB-CZ 4.24Å; R506-F508 WeakPolarHBondContact O-CD2 3.39Å; R506-F508 WeakPolarHBondContact O-CE2 3.48Å
509	Y	98.2	Very high	96.3	Very high	38 Å²	38	82.1 Å²	82.1	15%	0.149	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.2	-175.7	-56.2	-83.4	0	0	0	111.5	D63 N65 L69 V106 Y497 L498 R507	D63-Y509 WeakPolarHBondContact OD1-CE1 3.38Å; D63-Y509 PolarHBondContact OD2-OH 2.74Å; N65-Y509 HydrophobicContact CB-CE1 3.85Å; N65-Y509 HydrophobicContact CB-CE2 4.19Å; N65-Y509 VanDerWaalsContact CB-CZ 3.48Å; N65-Y509 VanDerWaalsContact CB-OH 3.23Å; N65-Y509 WeakPolarHBondContact CB-OH 3.38Å; N65-Y509 PolarHBondContact ND2-OH 3.35Å; L69-Y509 HydrophobicContact CD1-CD1 4.41Å; L69-Y509 HydrophobicContact CD1-CD2 4.06Å; L69-Y509 HydrophobicContact CD1-CG 3.97Å; V106-Y509 HydrophobicContact CG1-CD2 4.47Å; V106-Y509 HydrophobicContact CG1-CE2 3.94Å; Y497-Y509 CarbonylContact O-C 3.53Å; Y497-Y509 WeakPolarHBondContact O-CA 3.21Å; L498-Y509 HydrophobicContact CB-CE1 4.46Å; L498-Y509 HydrophobicContact CD1-CD1 4.45Å; L498-Y509 HydrophobicContact CD1-CE1 3.99Å; R507-Y509 HydrophobicContact CB-CE2 3.97Å; R507-Y509 VanDerWaalsContact CB-OH 3.25Å; R507-Y509 WeakPolarHBondContact CB-OH 3.42Å; R507-Y509 VanDerWaalsContact CD-OH 3.22Å; R507-Y509 WeakPolarHBondContact CD-OH 3.22Å
510	G	97.3	Very high	96.2	Very high	7 Å²	7	80.3 Å²	80.3	7%	0.072	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	167	163.5	0	0	0	0	0	110.9	Y496 Y497	Y496-G510 CarbonylContact C-O 3.56Å; Y496-G510 WeakPolarHBondContact CA-O 3.08Å; Y497-G510 PolarHBondContact N-O 3.07Å; Y497-G510 PolarHBondContact O-N 2.91Å
511	K	97.2	Very high	96.1	Very high	81 Å²	81	82.4 Å²	82.4	35%	0.352	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.2	167.9	-175.1	179.4	175.6	177.4	0	108.1	S73 G494 Y496 E514	S73-K511 PolarHBondContact OG-NZ 3.23Å; G494-K511 VanDerWaalsContact O-CE 3.25Å; G494-K511 WeakPolarHBondContact O-CE 2.7Å; Y496-K511 HydrophobicContact CD1-CB 4.28Å; Y496-K511 HydrophobicContact CD2-CD 4.44Å; Y496-K511 HydrophobicContact CD2-CG 4.23Å; Y496-K511 HydrophobicContact CE1-CB 4.18Å; Y496-K511 HydrophobicContact CE2-CB 4.43Å; Y496-K511 HydrophobicContact CE2-CD 3.78Å; Y496-K511 HydrophobicContact CE2-CG 4.05Å; Y496-K511 HydrophobicContact CG-CB 4.48Å; K511-E514 IonicContact NZ-OE1 2.64Å
512	L	96.7	Very high	95.9	Very high	30 Å²	30	88.2 Å²	88.2	16%	0.157	40%	0.4	C	S	.	.			trans	-68.1	137.9	173.9	-170.8	67.7	0	0	0	108.7	F486 P488 L491 G494 S495 Y497	F486-L512 HydrophobicContact CZ-CD1 4.32Å; P488-L512 HydrophobicContact CB-CD1 4.18Å; L491-L512 HydrophobicContact CB-CD2 3.81Å; G494-L512 VanDerWaalsContact CA-O 3.25Å; G494-L512 WeakPolarHBondContact CA-O 3.47Å; G494-L512 PolarHBondContact N-O 3.23Å; G494-L512 VanDerWaalsContact N-O 3.1Å; S495-L512 PolarHBondContact O-N 3.35Å; Y497-L512 HydrophobicContact CE1-CB 4.47Å
513	S	91.5	Very high	95.8	Very high	98 Å²	98	94 Å²	94	69%	0.685	43%	0.425	S	S	*	.			trans	-56.8	147.5	175.7	51.7	0	0	0	0	111.1	P493	P493-S513 WeakPolarHBondContact CA-O 3.41Å
514	E	80.6	Confident	95.6	Very high	154 Å²	154	92.6 Å²	92.6	72%	0.72	41%	0.411	S	S	*	.			trans	-75	0	173.9	-70.1	-171.5	-171.7	0	0	112.5	R77 P493 K511	R77-E514 VanDerWaalsContact CD-OE1 3.31Å; R77-E514 WeakPolarHBondContact CD-OE1 3.49Å; R77-E514 IonicContact CZ-OE1 3.5Å; R77-E514 IonicContact NE-OE1 3.33Å; R77-E514 PolarHBondContact NE-OE1 3.37Å; R77-E514 IonicContact NE-OE2 3.46Å; P493-E514 WeakPolarHBondContact CB-OXT 3.42Å; K511-E514 IonicContact NZ-OE1 2.64Å

Retrieved 514 of 514 residues in 247.6 ms (Link to these results)

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