A0A087Y417_POEFO Loading...

Carboxypeptidase X, M14 family member 1

AlphaFold DB , UniProt , Accession A0A087Y417, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 642 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	E	76.3	Confident	92.9	Very high	231 Å²	231	45.8 Å²	45.8	100%	1.079	22%	0.22	S	C	*	.				0	159.6	0	-70.9	158.5	165.8	0	0	108.3
2	C	90.9	Very high	93.1	Very high	9 Å²	9	42.4 Å²	42.4	6%	0.061	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-92.7	142.8	177.8	-68.4	0	0	0	0	110.6	T72 G161 C162	C2-T72 HydrophobicContact CB-CG2 4.17Å; C2-T72 WeakPolarHBondContact CB-OG1 3.45Å; C2-T72 VanDerWaalsContact SG-CG2 3.6Å; C2-G161 VanDerWaalsContact CB-C 3.43Å; C2-C162 WeakPolarHBondContact CA-SG 3.5Å; C2-C162 HydrophobicContact CB-CB 4.06Å; C2-C162 WeakPolarHBondContact CB-SG 3.27Å; C2-C162 WeakPolarHBondContact SG-CB 3.39Å; C2-C162 PolarHBondContact SG-N 3.39Å; C2-C162 CovalentContact SG-SG 2.03Å; C2-C162 PolarHBondContact SG-SG 2.8Å
3	P	94.2	Very high	93.3	Very high	37 Å²	37	50.2 Å²	50.2	24%	0.24	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-70.2	166.6	179.9	32.1	-36.7	0	0	0	111.8	L160 G161	P3-L160 WeakPolarHBondContact O-CA 3.35Å; P3-G161 PolarHBondContact O-N 3.11Å
4	P	96	Very high	93.5	Very high	7 Å²	7	51.1 Å²	51.1	5%	0.045	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-60.2	148.3	165	27.9	-34.8	0	0	0	111.1	G6 E158 V159 L160 E306 H487	P4-G6 VanDerWaalsContact C-N 3.25Å; P4-E158 HydrophobicContact CB-CG 3.57Å; P4-V159 CarbonylContact C-O 3.36Å; P4-V159 WeakPolarHBondContact CA-O 3.49Å; P4-L160 HydrophobicContact CB-CD2 4.14Å; P4-E306 HydrophobicContact CB-CG 4.36Å; P4-E306 HydrophobicContact CG-CG 4.25Å; P4-H487 HydrophobicContact CG-CB 3.61Å
5	L	95.9	Very high	93.7	Very high	23 Å²	23	53.9 Å²	53.9	12%	0.12	28%	0.279	C	S	.	.			trans	-74.5	-21	174.5	-67	-171.6	0	0	0	111.9	L7 V12 A65 T69 F71 E158 V159	L5-L7 HydrophobicContact CB-CD1 4.35Å; L5-V12 HydrophobicContact CB-CG2 3.99Å; L5-V12 WeakPolarHBondContact O-CG2 3.41Å; L5-A65 HydrophobicContact CD1-CB 4.23Å; L5-T69 HydrophobicContact CD2-CG2 4.18Å; L5-F71 HydrophobicContact CD1-CE1 3.84Å; L5-E158 PolarHBondContact N-OE1 3.45Å; L5-V159 HydrophobicContact CD1-CB 4.05Å; L5-V159 HydrophobicContact CD1-CG1 3.78Å; L5-V159 HydrophobicContact CG-CB 4.31Å; L5-V159 HydrophobicContact CG-CG1 4.25Å; L5-V159 WeakPolarHBondContact CG-O 3.47Å; L5-V159 PolarHBondContact N-O 3.28Å
6	G	95.4	Very high	94	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.266	C	S	.	.			trans	95.6	49.1	175.2	0	0	0	0	0	112.2	P4 S9 L10 R11 V12 E158	P4-G6 VanDerWaalsContact C-N 3.25Å; G6-S9 VanDerWaalsContact CA-OG 3.29Å; G6-S9 WeakPolarHBondContact CA-OG 3.42Å; G6-L10 CarbonylContact O-C 3.5Å; G6-L10 PolarHBondContact O-N 3.03Å; G6-R11 PolarHBondContact O-N 3.42Å; G6-V12 PolarHBondContact O-N 3.38Å; G6-E158 PolarHBondContact N-OE1 2.88Å
7	L	97.1	Very high	94.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-67.4	-43.3	166	-84.2	74.2	0	0	0	109.7	L5 V12 L17 R33 V63 A157 E158 V159	L5-L7 HydrophobicContact CB-CD1 4.35Å; L7-V12 HydrophobicContact CD1-CB 4.18Å; L7-V12 HydrophobicContact CD1-CG1 4.38Å; L7-V12 HydrophobicContact CD1-CG2 3.76Å; L7-V12 HydrophobicContact CG-CB 4.39Å; L7-V12 HydrophobicContact CG-CG2 4.48Å; L7-L17 HydrophobicContact CD2-CD2 4.25Å; L7-L17 HydrophobicContact CG-CD2 4.46Å; L7-R33 HydrophobicContact CB-CB 4.37Å; L7-R33 HydrophobicContact CB-CG 4.23Å; L7-R33 VanDerWaalsContact O-CD 3.3Å; L7-R33 WeakPolarHBondContact O-CD 3.24Å; L7-R33 WeakPolarHBondContact O-CG 3.47Å; L7-R33 PolarHBondContact O-NH1 3.44Å; L7-V63 HydrophobicContact CD1-CG1 4.22Å; L7-V63 HydrophobicContact CD2-CG2 4.14Å; L7-A157 WeakPolarHBondContact CB-O 3.35Å; L7-A157 HydrophobicContact CD2-CB 4.47Å; L7-A157 WeakPolarHBondContact CD2-O 3.39Å; L7-E158 WeakPolarHBondContact CA-OE2 3.28Å; L7-E158 WeakPolarHBondContact CD1-OE1 3.44Å; L7-E158 PolarHBondContact N-OE1 2.93Å; L7-E158 PolarHBondContact N-OE2 3.05Å; L7-V159 HydrophobicContact CD1-CB 4.46Å; L7-V159 HydrophobicContact CD1-CG2 4.46Å
8	E	95.8	Very high	94.4	Very high	13 Å²	13	54.2 Å²	54.2	6%	0.061	27%	0.269	C	S	.	.	S	Bend	trans	-69.8	-51.9	176.2	-176.4	165.9	-178	0	0	112.1	L10 L34 N35 E158 D483	E8-L10 WeakPolarHBondContact O-CD2 3.36Å; E8-L10 PolarHBondContact O-N 2.82Å; E8-L34 HydrophobicContact CB-CB 4.25Å; E8-L34 WeakPolarHBondContact OE2-CD2 3.35Å; E8-N35 HydrophobicContact CG-CB 4.39Å; E8-N35 VanDerWaalsContact OE1-CB 3.23Å; E8-N35 WeakPolarHBondContact OE1-CB 2.97Å; E8-N35 PolarHBondContact OE1-ND2 2.86Å; E8-N35 PolarHBondContact OE2-ND2 2.88Å; E8-E158 PolarHBondContact N-OE2 3.45Å; E8-E158 VanDerWaalsContact N-OE2 3.08Å; E8-D483 HydrophobicContact CG-CB 3.98Å
9	S	93.8	Very high	94.6	Very high	23 Å²	23	52.5 Å²	52.5	16%	0.161	26%	0.264	C	S	.	.	S	Bend	trans	-73.2	6.7	-179.9	66.9	0	0	0	0	114.9	G6 R11 E490	G6-S9 VanDerWaalsContact CA-OG 3.29Å; G6-S9 WeakPolarHBondContact CA-OG 3.42Å; S9-R11 PolarHBondContact O-N 3.48Å; S9-R11 VanDerWaalsContact O-N 3.13Å; S9-E490 WeakPolarHBondContact CB-OE2 3.3Å; S9-E490 PolarHBondContact OG-OE1 3Å; S9-E490 PolarHBondContact OG-OE2 2.91Å
10	L	94.5	Very high	94.8	Very high	33 Å²	33	51.9 Å²	51.9	17%	0.173	27%	0.265	C	S	.	.	S	Bend	trans	64.5	7	178.4	-31.1	-171.2	0	0	0	116.3	G6 E8 V12 R437 C482	G6-L10 CarbonylContact O-C 3.5Å; G6-L10 PolarHBondContact O-N 3.03Å; E8-L10 WeakPolarHBondContact O-CD2 3.36Å; E8-L10 PolarHBondContact O-N 2.82Å; L10-V12 PolarHBondContact O-N 3.36Å; L10-R437 HydrophobicContact CD1-CG 3.74Å; L10-C482 HydrophobicContact CD1-CB 4.4Å; L10-C482 WeakPolarHBondContact CD1-SG 3.2Å; L10-C482 HydrophobicContact CD2-CB 4.19Å; L10-C482 HydrophobicContact CG-CB 4.27Å
11	R	92.4	Very high	94.9	Very high	128 Å²	128	50 Å²	50	48%	0.483	26%	0.256	S	S	.	.			trans	-60.1	-35.9	174.7	-66.9	172.3	61.7	-157.9	-2.5	112.1	G6 S9 K13 E490	G6-R11 PolarHBondContact O-N 3.42Å; S9-R11 PolarHBondContact O-N 3.48Å; S9-R11 VanDerWaalsContact O-N 3.13Å; R11-K13 PolarHBondContact O-N 3.01Å; R11-E490 WeakPolarHBondContact CD-OE1 3.4Å; R11-E490 IonicContact CZ-OE1 2.91Å; R11-E490 IonicContact NH1-OE1 2.76Å; R11-E490 PolarHBondContact NH1-OE1 3.01Å
12	V	95.4	Very high	95.9	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.03	23%	0.227	C	C	.	.	S	Bend	trans	-76.2	114.3	166.7	177.4	0	0	0	0	108.8	L5 G6 L7 L10 Q16 L17 R33 V63	L5-V12 HydrophobicContact CB-CG2 3.99Å; L5-V12 WeakPolarHBondContact O-CG2 3.41Å; G6-V12 PolarHBondContact O-N 3.38Å; L7-V12 HydrophobicContact CD1-CB 4.18Å; L7-V12 HydrophobicContact CD1-CG1 4.38Å; L7-V12 HydrophobicContact CD1-CG2 3.76Å; L7-V12 HydrophobicContact CG-CB 4.39Å; L7-V12 HydrophobicContact CG-CG2 4.48Å; L10-V12 PolarHBondContact O-N 3.36Å; V12-Q16 HydrophobicContact CG1-CB 3.76Å; V12-L17 HydrophobicContact CG1-CD2 3.9Å; V12-L17 HydrophobicContact CG1-CG 4.12Å; V12-R33 PolarHBondContact O-NH1 2.92Å; V12-R33 PolarHBondContact O-NH2 2.9Å; V12-V63 HydrophobicContact CG1-CG1 4.17Å
13	K	95.8	Very high	96.1	Very high	143 Å²	143	48 Å²	48	62%	0.622	24%	0.241	S	C	*	.			trans	-73.6	157.3	179.9	-61.4	-177.1	179.9	-176	0	111.8	R11 A15 Q16	R11-K13 PolarHBondContact O-N 3.01Å; K13-A15 PolarHBondContact O-N 3.06Å; K13-Q16 VanDerWaalsContact O-CB 3.32Å; K13-Q16 WeakPolarHBondContact O-CB 3.41Å; K13-Q16 PolarHBondContact O-N 3.49Å
14	D	96.1	Very high	96.1	Very high	64 Å²	64	50.8 Å²	50.8	34%	0.342	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-58.6	-33.6	179.4	-68	-11.2	0	0	0	112.8	Q16 L17 H30 R33 R437	D14-Q16 PolarHBondContact O-N 3.47Å; D14-L17 PolarHBondContact O-N 2.95Å; D14-H30 HydrophobicContact CB-CB 4.01Å; D14-R33 IonicContact OD1-CZ 2.68Å; D14-R33 IonicContact OD1-NE 2.85Å; D14-R33 IonicContact OD1-NH2 3.7Å; D14-R33 PolarHBondContact OD1-NH2 3.32Å; D14-R437 IonicContact OD1-NE 3.69Å
15	A	96.3	Very high	95.9	Very high	92 Å²	92	57.3 Å²	57.3	76%	0.76	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-65.6	-17.3	176.2	0	0	0	0	0	114.1	K13 L17	K13-A15 PolarHBondContact O-N 3.06Å; A15-L17 VanDerWaalsContact C-N 3.33Å
16	Q	97.6	Very high	95.8	Very high	17 Å²	17	56.3 Å²	56.3	8%	0.079	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-86.7	-4.9	174.9	-65.6	171.7	-104.6	0	0	112.6	V12 K13 D14 D64 Q66	V12-Q16 HydrophobicContact CG1-CB 3.76Å; K13-Q16 VanDerWaalsContact O-CB 3.32Å; K13-Q16 WeakPolarHBondContact O-CB 3.41Å; K13-Q16 PolarHBondContact O-N 3.49Å; D14-Q16 PolarHBondContact O-N 3.47Å; Q16-D64 HydrophobicContact CB-CB 4.29Å; Q16-D64 PolarHBondContact NE2-O 3.39Å; Q16-D64 PolarHBondContact O-N 3.23Å; Q16-Q66 HydrophobicContact CG-CG 4.14Å
17	L	98.3	Very high	95.8	Very high	8 Å²	8	56.3 Å²	56.3	4%	0.042	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.5	-179.1	-60.6	178.2	0	0	0	110.5	L7 V12 D14 A15 P29 R33 E62 V63	L7-L17 HydrophobicContact CD2-CD2 4.25Å; L7-L17 HydrophobicContact CG-CD2 4.46Å; V12-L17 HydrophobicContact CG1-CD2 3.9Å; V12-L17 HydrophobicContact CG1-CG 4.12Å; D14-L17 PolarHBondContact O-N 2.95Å; A15-L17 VanDerWaalsContact C-N 3.33Å; L17-P29 HydrophobicContact CB-CB 4.12Å; L17-R33 HydrophobicContact CD1-CG 4.15Å; L17-E62 WeakPolarHBondContact CA-O 3.42Å; L17-V63 HydrophobicContact CD2-CB 4.26Å; L17-V63 HydrophobicContact CD2-CG1 4.12Å; L17-V63 HydrophobicContact CD2-CG2 3.75Å
18	R	97.9	Very high	95.8	Very high	143 Å²	143	56.4 Å²	56.4	54%	0.54	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	160	176.6	-67.8	-179.5	176.9	-178.8	-1.3	110.2	W60 E62	R18-W60 HydrophobicContact CB-CZ3 4.05Å; R18-E62 HydrophobicContact CB-CB 4.18Å; R18-E62 WeakPolarHBondContact CD-OE1 3.45Å; R18-E62 PolarHBondContact N-O 3.18Å; R18-E62 PolarHBondContact O-N 3.33Å
19	A	98.1	Very high	95.9	Very high	21 Å²	21	56.6 Å²	56.6	17%	0.174	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	157.7	173.9	0	0	0	0	0	111.3	S21 P29 W50 W60 L61	A19-S21 VanDerWaalsContact C-N 3.29Å; A19-S21 PolarHBondContact O-N 3.27Å; A19-P29 HydrophobicContact CB-CB 3.96Å; A19-P29 HydrophobicContact CB-CG 4.28Å; A19-W50 HydrophobicContact CB-CD2 4.46Å; A19-W50 HydrophobicContact CB-CZ2 3.99Å; A19-W60 VanDerWaalsContact C-CZ3 3.42Å; A19-W60 CarbonylContact C-O 3.58Å; A19-W60 WeakPolarHBondContact CA-O 3.32Å; A19-W60 WeakPolarHBondContact CB-O 3.4Å; A19-L61 HydrophobicContact CB-CD1 4.45Å
20	S	97.9	Very high	96	Very high	40 Å²	40	58 Å²	58	28%	0.28	28%	0.278	S	S	.	.	S	Bend	trans	-58.4	-41.8	173.3	55	0	0	0	0	112.5	Q59 W60	S20-Q59 VanDerWaalsContact OG-CA 3.23Å; S20-Q59 WeakPolarHBondContact OG-CA 3.5Å; S20-Q59 PolarHBondContact OG-OE1 3.39Å; S20-W60 PolarHBondContact N-O 3.3Å; S20-W60 PolarHBondContact OG-N 3.36Å
21	S	98.1	Very high	96.1	Very high	13 Å²	13	56.8 Å²	56.8	9%	0.091	27%	0.271	C	S	.	.			trans	-163.4	164	179.1	74.3	0	0	0	0	109.6	A19 W50 R53 Q59	A19-S21 VanDerWaalsContact C-N 3.29Å; A19-S21 PolarHBondContact O-N 3.27Å; S21-W50 PolarHBondContact O-NE1 3.23Å; S21-R53 WeakPolarHBondContact OG-CB 3.47Å; S21-R53 PolarHBondContact OG-N 3.33Å; S21-Q59 PolarHBondContact OG-OE1 3.43Å
22	Y	97.4	Very high	96.4	Very high	117 Å²	117	50.7 Å²	50.7	46%	0.459	25%	0.248	S	C	.	.			trans	-150.2	148.7	170	57.1	-89.4	0	0	0	110.5	R24 L27 C51	Y22-R24 VanDerWaalsContact CD2-O 3.29Å; Y22-R24 WeakPolarHBondContact CD2-O 3.3Å; Y22-L27 WeakPolarHBondContact CB-O 3.45Å; Y22-C51 VanDerWaalsContact CA-O 3.23Å; Y22-C51 WeakPolarHBondContact CA-O 3.38Å
23	K	94.5	Very high	96.5	Very high	81 Å²	81	50.6 Å²	50.6	35%	0.352	25%	0.247	S	C	.	.	S	Bend	trans	-65.8	-44.3	-174.5	-75.3	-170.6	168.6	-157.8	0	113.9	L27 C51 A52 D152	K23-L27 HydrophobicContact CB-CD1 4.16Å; K23-L27 HydrophobicContact CD-CD1 4.4Å; K23-C51 PolarHBondContact N-O 3.38Å; K23-C51 VanDerWaalsContact N-O 3.1Å; K23-A52 WeakPolarHBondContact CG-O 3.09Å; K23-D152 VanDerWaalsContact CE-CG 3.49Å; K23-D152 WeakPolarHBondContact CE-OD1 3.23Å; K23-D152 WeakPolarHBondContact CE-OD2 3.39Å; K23-D152 IonicContact NZ-OD1 3.51Å; K23-D152 PolarHBondContact NZ-OD1 3.21Å; K23-D152 IonicContact NZ-OD2 2.81Å; K23-D152 PolarHBondContact NZ-OD2 2.86Å
24	R	94.1	Very high	96.5	Very high	95 Å²	95	43.9 Å²	43.9	36%	0.358	22%	0.218	S	C	.	.	S	Bend	trans	-160.7	167.6	-176.8	59.3	-174.1	174.3	-137.8	-2	109.4	Y22 G26 L27 G28 D47	Y22-R24 VanDerWaalsContact CD2-O 3.29Å; Y22-R24 WeakPolarHBondContact CD2-O 3.3Å; R24-G26 VanDerWaalsContact C-N 3.32Å; R24-G26 PolarHBondContact O-N 3.13Å; R24-L27 HydrophobicContact CG-CB 4.29Å; R24-L27 HydrophobicContact CG-CD1 4.15Å; R24-L27 HydrophobicContact CG-CG 4.27Å; R24-L27 CarbonylContact O-C 3.5Å; R24-L27 WeakPolarHBondContact O-CA 3.47Å; R24-L27 PolarHBondContact O-N 3.1Å; R24-G28 PolarHBondContact O-N 3.02Å; R24-D47 IonicContact CZ-OD2 2.81Å; R24-D47 IonicContact NE-OD2 2.77Å; R24-D47 PolarHBondContact NE-OD2 3.44Å; R24-D47 VanDerWaalsContact NH2-CG 3.29Å; R24-D47 IonicContact NH2-OD1 2.79Å; R24-D47 PolarHBondContact NH2-OD1 3.27Å; R24-D47 VanDerWaalsContact NH2-OD1 3.08Å; R24-D47 IonicContact NH2-OD2 3.21Å; R24-D47 PolarHBondContact NH2-OD2 2.89Å
25	Q	92.1	Very high	96.5	Very high	145 Å²	145	40.9 Å²	40.9	68%	0.678	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-56.4	-43.4	-174	-173.4	167.6	-1.7	0	0	113	L27 G28 H30	Q25-L27 PolarHBondContact O-N 3.06Å; Q25-G28 PolarHBondContact O-N 3.02Å; Q25-H30 PolarHBondContact O-CE1 3.47Å
26	G	93.1	Very high	96.5	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.01	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-61.5	-13.3	176	0	0	0	0	0	115.1	R24 R31 I45 D47	R24-G26 VanDerWaalsContact C-N 3.32Å; R24-G26 PolarHBondContact O-N 3.13Å; G26-R31 WeakPolarHBondContact O-CG 3.29Å; G26-I45 WeakPolarHBondContact CA-O 3.48Å; G26-D47 CarbonylContact O-C 3.55Å; G26-D47 WeakPolarHBondContact O-CA 3.27Å; G26-D47 VanDerWaalsContact O-CB 3.29Å; G26-D47 WeakPolarHBondContact O-CB 3.48Å; G26-D47 PolarHBondContact O-N 2.91Å; G26-D47 VanDerWaalsContact O-O 3.08Å
27	L	96.3	Very high	96.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-114.5	22.4	178.1	-71	173.3	0	0	0	112.9	Y22 K23 R24 Q25 D47 A49 W50 C51	Y22-L27 WeakPolarHBondContact CB-O 3.45Å; K23-L27 HydrophobicContact CB-CD1 4.16Å; K23-L27 HydrophobicContact CD-CD1 4.4Å; R24-L27 HydrophobicContact CG-CB 4.29Å; R24-L27 HydrophobicContact CG-CD1 4.15Å; R24-L27 HydrophobicContact CG-CG 4.27Å; R24-L27 CarbonylContact O-C 3.5Å; R24-L27 WeakPolarHBondContact O-CA 3.47Å; R24-L27 PolarHBondContact O-N 3.1Å; Q25-L27 PolarHBondContact O-N 3.06Å; L27-D47 HydrophobicContact CD2-CB 3.26Å; L27-D47 HydrophobicContact CG-CB 3.63Å; L27-D47 WeakPolarHBondContact CG-OD2 3.33Å; L27-A49 WeakPolarHBondContact CA-O 3.45Å; L27-A49 VanDerWaalsContact CD2-O 3.32Å; L27-A49 WeakPolarHBondContact CD2-O 3.42Å; L27-W50 WeakPolarHBondContact O-CA 3.41Å; L27-C51 HydrophobicContact CB-CB 4Å; L27-C51 HydrophobicContact CD1-CB 3.88Å; L27-C51 HydrophobicContact CD2-CB 3.99Å; L27-C51 WeakPolarHBondContact CD2-SG 3.37Å; L27-C51 HydrophobicContact CG-CB 4.17Å; L27-C51 PolarHBondContact O-N 2.9Å
28	G	97.2	Very high	96.2	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.01	17%	0.171	C	C	.	.	S	Bend	trans	-73.8	172.4	-178.2	0	0	0	0	0	114.1	R24 Q25 H30 R31	R24-G28 PolarHBondContact O-N 3.02Å; Q25-G28 PolarHBondContact O-N 3.02Å; G28-H30 PolarHBondContact O-N 3.24Å; G28-R31 WeakPolarHBondContact O-CB 3.49Å; G28-R31 PolarHBondContact O-N 2.91Å
29	P	97.5	Very high	95.7	Very high	17 Å²	17	31 Å²	31	11%	0.11	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-59	-30.9	179.9	22.8	-33.5	0	0	0	113.6	L17 A19 R31 G32 L61	L17-P29 HydrophobicContact CB-CB 4.12Å; A19-P29 HydrophobicContact CB-CB 3.96Å; A19-P29 HydrophobicContact CB-CG 4.28Å; P29-R31 PolarHBondContact O-N 3Å; P29-R31 VanDerWaalsContact O-N 3.09Å; P29-G32 PolarHBondContact O-N 3.4Å; P29-L61 HydrophobicContact CB-CD1 3.72Å
30	H	95.9	Very high	95.1	Very high	52 Å²	52	34.9 Å²	34.9	24%	0.241	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-61.3	-16.6	175.4	63.2	-81.7	0	0	0	113.8	D14 Q25 G28 R33	D14-H30 HydrophobicContact CB-CB 4.01Å; Q25-H30 PolarHBondContact O-CE1 3.47Å; G28-H30 PolarHBondContact O-N 3.24Å; H30-R33 VanDerWaalsContact O-CD 3.24Å; H30-R33 WeakPolarHBondContact O-CD 3.43Å; H30-R33 PolarHBondContact O-NE 2.92Å
31	R	96.7	Very high	94.6	Very high	9 Å²	9	37.8 Å²	37.8	3%	0.034	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-98.6	-3.8	176.4	-53.6	-72.7	-63.6	167.5	5.3	112.5	G26 G28 P29 R33 I36 Q37 Y46 D47 A49 W50 H440	G26-R31 WeakPolarHBondContact O-CG 3.29Å; G28-R31 WeakPolarHBondContact O-CB 3.49Å; G28-R31 PolarHBondContact O-N 2.91Å; P29-R31 PolarHBondContact O-N 3Å; P29-R31 VanDerWaalsContact O-N 3.09Å; R31-R33 PolarHBondContact O-N 3.44Å; R31-I36 HydrophobicContact CB-CD1 4.39Å; R31-I36 VanDerWaalsContact NH1-CD1 3.34Å; R31-I36 WeakPolarHBondContact O-CG2 3.24Å; R31-Q37 PolarHBondContact NH2-O 2.92Å; R31-Y46 VanDerWaalsContact NH2-C 3.28Å; R31-Y46 PolarHBondContact NH2-O 3.36Å; R31-D47 PolarHBondContact NE-O 2.94Å; R31-D47 PolarHBondContact NH2-O 3.43Å; R31-A49 VanDerWaalsContact CB-O 3.25Å; R31-A49 WeakPolarHBondContact CB-O 3.4Å; R31-A49 CarbonylContact O-C 3.42Å; R31-A49 VanDerWaalsContact O-CA 3.31Å; R31-A49 WeakPolarHBondContact O-CA 3.37Å; R31-W50 PolarHBondContact O-N 3.4Å; R31-H440 PolarHBondContact NH1-O 2.94Å
32	G	97.3	Very high	94	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.188	C	C	.	.			trans	-76.7	33.7	178.2	0	0	0	0	0	114.1	P29 A157	P29-G32 PolarHBondContact O-N 3.4Å; G32-A157 PolarHBondContact O-N 3.31Å
33	R	97.6	Very high	93.3	Very high	2 Å²	2	36 Å²	36	1%	0.008	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-105.7	141	-172.2	-62	167.7	179.2	-81	3.6	110.3	L7 V12 D14 L17 H30 R31 I36 R156 A157 R437	L7-R33 HydrophobicContact CB-CB 4.37Å; L7-R33 HydrophobicContact CB-CG 4.23Å; L7-R33 VanDerWaalsContact O-CD 3.3Å; L7-R33 WeakPolarHBondContact O-CD 3.24Å; L7-R33 WeakPolarHBondContact O-CG 3.47Å; L7-R33 PolarHBondContact O-NH1 3.44Å; V12-R33 PolarHBondContact O-NH1 2.92Å; V12-R33 PolarHBondContact O-NH2 2.9Å; D14-R33 IonicContact OD1-CZ 2.68Å; D14-R33 IonicContact OD1-NE 2.85Å; D14-R33 IonicContact OD1-NH2 3.7Å; D14-R33 PolarHBondContact OD1-NH2 3.32Å; L17-R33 HydrophobicContact CD1-CG 4.15Å; H30-R33 VanDerWaalsContact O-CD 3.24Å; H30-R33 WeakPolarHBondContact O-CD 3.43Å; H30-R33 PolarHBondContact O-NE 2.92Å; R31-R33 PolarHBondContact O-N 3.44Å; R33-I36 HydrophobicContact CB-CB 4.47Å; R33-I36 WeakPolarHBondContact O-CG2 3.32Å; R33-I36 PolarHBondContact O-N 3.41Å; R33-R156 VanDerWaalsContact O-CB 3.25Å; R33-R156 WeakPolarHBondContact O-CB 3.26Å; R33-R156 WeakPolarHBondContact O-CD 3.39Å; R33-R156 VanDerWaalsContact O-CG 3.27Å; R33-R156 WeakPolarHBondContact O-CG 3.41Å; R33-A157 CarbonylContact C-O 3.49Å; R33-R437 VanDerWaalsContact NE-CZ 3.31Å; R33-R437 VanDerWaalsContact NH1-NH1 3.12Å
34	L	97.3	Very high	93	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	140.5	176.3	-169.1	68.3	0	0	0	110.7	E8 I36 I75 Q77 P123 A157 E158 E306	E8-L34 HydrophobicContact CB-CB 4.25Å; E8-L34 WeakPolarHBondContact OE2-CD2 3.35Å; L34-I36 PolarHBondContact O-N 3.28Å; L34-I75 HydrophobicContact CD1-CG2 4.05Å; L34-I75 HydrophobicContact CD2-CG2 4.14Å; L34-Q77 HydrophobicContact CD1-CB 3.66Å; L34-Q77 HydrophobicContact CD1-CG 4.4Å; L34-P123 HydrophobicContact CD1-CB 4.16Å; L34-P123 HydrophobicContact CD1-CG 4.34Å; L34-A157 PolarHBondContact N-O 2.83Å; L34-E158 HydrophobicContact CB-CB 3.91Å; L34-E158 HydrophobicContact CD2-CB 3.74Å; L34-E158 HydrophobicContact CG-CB 4.41Å; L34-E306 HydrophobicContact CD2-CB 4.27Å
35	N	96.4	Very high	92.7	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.011	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	14.8	179.6	-67.1	-44.7	0	0	0	116.6	E8 Q37 Q77 G309 W310	E8-N35 HydrophobicContact CG-CB 4.39Å; E8-N35 VanDerWaalsContact OE1-CB 3.23Å; E8-N35 WeakPolarHBondContact OE1-CB 2.97Å; E8-N35 PolarHBondContact OE1-ND2 2.86Å; E8-N35 PolarHBondContact OE2-ND2 2.88Å; N35-Q37 PolarHBondContact O-N 3.23Å; N35-Q37 PolarHBondContact O-NE2 2.96Å; N35-Q77 PolarHBondContact OD1-NE2 3.39Å; N35-Q77 PolarHBondContact OD1-OE1 3.45Å; N35-G309 WeakPolarHBondContact OD1-CA 3.25Å; N35-W310 HydrophobicContact CB-CE3 3.92Å; N35-W310 HydrophobicContact CB-CZ3 4.32Å
36	I	95.7	Very high	92.7	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-62.1	134	174.3	-156.6	168.4	0	0	0	110.2	R31 R33 L34 R156	R31-I36 HydrophobicContact CB-CD1 4.39Å; R31-I36 VanDerWaalsContact NH1-CD1 3.34Å; R31-I36 WeakPolarHBondContact O-CG2 3.24Å; R33-I36 HydrophobicContact CB-CB 4.47Å; R33-I36 WeakPolarHBondContact O-CG2 3.32Å; R33-I36 PolarHBondContact O-N 3.41Å; L34-I36 PolarHBondContact O-N 3.28Å; I36-R156 HydrophobicContact CG2-CG 3.97Å; I36-R156 PolarHBondContact O-NH1 3.25Å
37	Q	94.6	Very high	92.5	Very high	27 Å²	27	30.9 Å²	30.9	13%	0.126	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-93.6	141.4	179.5	-53.8	-61	-63.2	0	0	111.2	R31 N35 N80 W310 H440	R31-Q37 PolarHBondContact NH2-O 2.92Å; N35-Q37 PolarHBondContact O-N 3.23Å; N35-Q37 PolarHBondContact O-NE2 2.96Å; Q37-N80 WeakPolarHBondContact CA-OD1 3.46Å; Q37-W310 HydrophobicContact CG-CD2 4.24Å; Q37-W310 HydrophobicContact CG-CH2 3.86Å; Q37-W310 HydrophobicContact CG-CZ2 3.47Å; Q37-W310 VanDerWaalsContact CG-CZ2 3.47Å; Q37-W310 HydrophobicContact CG-CZ3 4.38Å; Q37-H440 HydrophobicContact CB-CB 3.91Å; Q37-H440 PolarHBondContact N-ND1 2.85Å
38	S	93.6	Very high	92.4	Very high	12 Å²	12	30.8 Å²	30.8	8%	0.084	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-80.9	166.4	174.8	68.9	0	0	0	0	112.5	Y46 N80 N441	S38-Y46 CarbonylContact C-O 3.58Å; S38-Y46 WeakPolarHBondContact CA-O 3.47Å; S38-N80 VanDerWaalsContact CB-O 3.31Å; S38-N80 WeakPolarHBondContact CB-O 3.46Å; S38-N80 PolarHBondContact N-OD1 3.21Å; S38-N80 PolarHBondContact OG-O 3.5Å; S38-N80 PolarHBondContact OG-OD1 2.99Å; S38-N441 PolarHBondContact O-ND2 3.49Å
39	G	89.2	Confident	92.4	Very high	10 Å²	10	30.8 Å²	30.8	10%	0.103	17%	0.169	C	C	.	.			trans	-65.6	-177.3	155.2	0	0	0	0	0	112.4	D44 Y46	G39-D44 WeakPolarHBondContact CA-OD2 3.3Å; G39-Y46 PolarHBondContact N-O 3.25Å
40	I	85.2	Confident	92.4	Very high	102 Å²	102	30 Å²	30	52%	0.523	16%	0.164	S	C	.	.	S	Bend	trans	-73.5	-38	-179.3	-62.2	172.4	0	0	0	110.7	W83	I40-W83 PolarHBondContact O-NE1 2.85Å
41	D	86	Confident	92.5	Very high	101 Å²	101	27.5 Å²	27.5	54%	0.54	15%	0.152	S	C	.	.	S	Bend	trans	-110	137.2	-173.7	-61.5	-48.5	0	0	0	111.2
42	D	85.9	Confident	92.5	Very high	48 Å²	48	27.1 Å²	27.1	26%	0.257	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	131.1	170	-91.4	26.9	0	0	0	110.2	D47 R79 S81 W83 S84	D42-D47 WeakPolarHBondContact CA-OD1 3.46Å; D42-R79 IonicContact OD1-NH2 3.6Å; D42-R79 PolarHBondContact OD1-NH2 3.31Å; D42-R79 IonicContact OD2-CZ 3.43Å; D42-R79 VanDerWaalsContact OD2-CZ 3.3Å; D42-R79 IonicContact OD2-NH1 3.27Å; D42-R79 PolarHBondContact OD2-NH1 2.96Å; D42-R79 IonicContact OD2-NH2 3.35Å; D42-R79 PolarHBondContact OD2-NH2 3.19Å; D42-S81 VanDerWaalsContact CG-OG 3.32Å; D42-S81 WeakPolarHBondContact OD1-CB 3.43Å; D42-S81 PolarHBondContact OD1-OG 2.9Å; D42-S81 PolarHBondContact OD2-OG 3.44Å; D42-W83 HydrophobicContact CB-CB 4.48Å; D42-S84 WeakPolarHBondContact OD2-CB 3.45Å; D42-S84 PolarHBondContact OD2-OG 3.23Å
43	G	84.3	Confident	92.5	Very high	43 Å²	43	34.6 Å²	34.6	44%	0.443	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	111.4	-7.3	-179.9	0	0	0	0	0	115.4	D47	G43-D47 PolarHBondContact N-OD1 2.92Å
44	D	86.7	Confident	92.4	Very high	51 Å²	51	40.6 Å²	40.6	27%	0.273	20%	0.203	S	C	.	.	S	Bend	trans	-75.2	-176.3	174.2	75.3	11.5	0	0	0	112.4	G39 Y46 D47	G39-D44 WeakPolarHBondContact CA-OD2 3.3Å; D44-Y46 PolarHBondContact O-N 2.9Å; D44-Y46 VanDerWaalsContact OD1-CA 3.25Å; D44-Y46 WeakPolarHBondContact OD1-CA 3.5Å; D44-Y46 PolarHBondContact OD1-N 3.26Å; D44-D47 PolarHBondContact OD1-N 2.82Å
45	I	89.2	Confident	92.3	Very high	103 Å²	103	45.2 Å²	45.2	53%	0.528	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	1	178.9	63.8	173.7	0	0	0	112.9	G26	G26-I45 WeakPolarHBondContact CA-O 3.48Å
46	Y	90.2	Very high	92.2	Very high	60 Å²	60	47.8 Å²	47.8	24%	0.235	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	48	-174.2	-57.3	-63	0	0	0	112.2	R31 S38 G39 D44 N441	R31-Y46 VanDerWaalsContact NH2-C 3.28Å; R31-Y46 PolarHBondContact NH2-O 3.36Å; S38-Y46 CarbonylContact C-O 3.58Å; S38-Y46 WeakPolarHBondContact CA-O 3.47Å; G39-Y46 PolarHBondContact N-O 3.25Å; D44-Y46 PolarHBondContact O-N 2.9Å; D44-Y46 VanDerWaalsContact OD1-CA 3.25Å; D44-Y46 WeakPolarHBondContact OD1-CA 3.5Å; D44-Y46 PolarHBondContact OD1-N 3.26Å; Y46-N441 HydrophobicContact CD2-CB 4.09Å; Y46-N441 VanDerWaalsContact CD2-O 3.3Å; Y46-N441 WeakPolarHBondContact CD2-O 3.38Å; Y46-N441 WeakPolarHBondContact CE2-O 3.43Å; Y46-N441 HydrophobicContact CG-CB 3.9Å
47	D	90.7	Very high	92.3	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	26%	0.262	C	S	.	.			trans	-68.6	149.4	172.5	-68.4	-69.9	0	0	0	111.6	R24 G26 L27 R31 D42 G43 D44 A49 R79	R24-D47 IonicContact CZ-OD2 2.81Å; R24-D47 IonicContact NE-OD2 2.77Å; R24-D47 PolarHBondContact NE-OD2 3.44Å; R24-D47 VanDerWaalsContact NH2-CG 3.29Å; R24-D47 IonicContact NH2-OD1 2.79Å; R24-D47 PolarHBondContact NH2-OD1 3.27Å; R24-D47 VanDerWaalsContact NH2-OD1 3.08Å; R24-D47 IonicContact NH2-OD2 3.21Å; R24-D47 PolarHBondContact NH2-OD2 2.89Å; G26-D47 CarbonylContact O-C 3.55Å; G26-D47 WeakPolarHBondContact O-CA 3.27Å; G26-D47 VanDerWaalsContact O-CB 3.29Å; G26-D47 WeakPolarHBondContact O-CB 3.48Å; G26-D47 PolarHBondContact O-N 2.91Å; G26-D47 VanDerWaalsContact O-O 3.08Å; L27-D47 HydrophobicContact CD2-CB 3.26Å; L27-D47 HydrophobicContact CG-CB 3.63Å; L27-D47 WeakPolarHBondContact CG-OD2 3.33Å; R31-D47 PolarHBondContact NE-O 2.94Å; R31-D47 PolarHBondContact NH2-O 3.43Å; D42-D47 WeakPolarHBondContact CA-OD1 3.46Å; G43-D47 PolarHBondContact N-OD1 2.92Å; D44-D47 PolarHBondContact OD1-N 2.82Å; D47-A49 VanDerWaalsContact C-N 3.35Å; D47-A49 PolarHBondContact O-N 3.39Å; D47-A49 VanDerWaalsContact O-N 3.11Å; D47-R79 IonicContact OD1-NH2 3.93Å; D47-R79 PolarHBondContact OD1-NH2 3.01Å
48	G	93.3	Very high	92.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-84.8	33.1	-166.1	0	0	0	0	0	117.7	N80 R156	G48-N80 WeakPolarHBondContact CA-O 3.39Å; G48-N80 PolarHBondContact O-N 2.87Å; G48-N80 VanDerWaalsContact O-N 3.08Å; G48-R156 VanDerWaalsContact O-CD 3.28Å; G48-R156 WeakPolarHBondContact O-CD 3.42Å
49	A	96.9	Very high	92.6	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-169.7	172	173.6	0	0	0	0	0	112.9	L27 R31 D47 R79 C154 R156	L27-A49 WeakPolarHBondContact CA-O 3.45Å; L27-A49 VanDerWaalsContact CD2-O 3.32Å; L27-A49 WeakPolarHBondContact CD2-O 3.42Å; R31-A49 VanDerWaalsContact CB-O 3.25Å; R31-A49 WeakPolarHBondContact CB-O 3.4Å; R31-A49 CarbonylContact O-C 3.42Å; R31-A49 VanDerWaalsContact O-CA 3.31Å; R31-A49 WeakPolarHBondContact O-CA 3.37Å; D47-A49 VanDerWaalsContact C-N 3.35Å; D47-A49 PolarHBondContact O-N 3.39Å; D47-A49 VanDerWaalsContact O-N 3.11Å; A49-R79 HydrophobicContact CB-CB 3.78Å; A49-R79 HydrophobicContact CB-CG 3.79Å; A49-C154 HydrophobicContact CB-CB 4.27Å; A49-R156 HydrophobicContact CB-CG 4.1Å
50	W	98.1	Very high	93.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	130.6	152.9	165.1	64.2	0	0	0	109.2	A19 S21 L27 R31 A52 Q59 W60 L61 P141 C154 L155	A19-W50 HydrophobicContact CB-CD2 4.46Å; A19-W50 HydrophobicContact CB-CZ2 3.99Å; S21-W50 PolarHBondContact O-NE1 3.23Å; L27-W50 WeakPolarHBondContact O-CA 3.41Å; R31-W50 PolarHBondContact O-N 3.4Å; W50-A52 HydrophobicContact CH2-CB 4.32Å; W50-A52 HydrophobicContact CZ2-CB 3.87Å; W50-Q59 HydrophobicContact CH2-CB 4.35Å; W50-W60 VanDerWaalsContact CZ2-O 3.29Å; W50-W60 WeakPolarHBondContact CZ2-O 3.24Å; W50-L61 HydrophobicContact CB-CD1 4.27Å; W50-L61 HydrophobicContact CD2-CB 4.17Å; W50-L61 HydrophobicContact CD2-CD1 4.07Å; W50-L61 HydrophobicContact CE3-CB 3.68Å; W50-L61 HydrophobicContact CE3-CD1 4.31Å; W50-L61 HydrophobicContact CE3-CD2 4.36Å; W50-L61 HydrophobicContact CE3-CG 4.34Å; W50-L61 HydrophobicContact CG-CD1 4.03Å; W50-L61 HydrophobicContact CH2-CB 4.27Å; W50-L61 HydrophobicContact CZ3-CB 3.74Å; W50-P141 HydrophobicContact CH2-CG 4.41Å; W50-P141 HydrophobicContact CZ3-CG 4.24Å; W50-C154 VanDerWaalsContact O-CA 3.23Å; W50-C154 WeakPolarHBondContact O-CA 3.18Å; W50-L155 HydrophobicContact CE3-CD1 4.06Å; W50-L155 HydrophobicContact CE3-CD2 4.21Å; W50-L155 HydrophobicContact CE3-CG 3.74Å; W50-L155 HydrophobicContact CZ3-CD1 4.42Å; W50-L155 HydrophobicContact CZ3-CD2 3.82Å; W50-L155 HydrophobicContact CZ3-CG 3.88Å; W50-L155 PolarHBondContact N-O 2.96Å; W50-L155 PolarHBondContact O-N 3.27Å
51	C	97.6	Very high	93.7	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.1	171.3	-61.2	0	0	0	0	112.3	Y22 K23 L27 I153 C154	Y22-C51 VanDerWaalsContact CA-O 3.23Å; Y22-C51 WeakPolarHBondContact CA-O 3.38Å; K23-C51 PolarHBondContact N-O 3.38Å; K23-C51 VanDerWaalsContact N-O 3.1Å; L27-C51 HydrophobicContact CB-CB 4Å; L27-C51 HydrophobicContact CD1-CB 3.88Å; L27-C51 HydrophobicContact CD2-CB 3.99Å; L27-C51 WeakPolarHBondContact CD2-SG 3.37Å; L27-C51 HydrophobicContact CG-CB 4.17Å; L27-C51 PolarHBondContact O-N 2.9Å; C51-I153 CarbonylContact C-O 3.29Å; C51-I153 WeakPolarHBondContact CA-O 3.15Å; C51-C154 HydrophobicContact CB-CB 4.11Å; C51-C154 WeakPolarHBondContact CB-SG 3.19Å; C51-C154 WeakPolarHBondContact SG-CB 3.18Å; C51-C154 CovalentContact SG-SG 2.01Å; C51-C154 PolarHBondContact SG-SG 3.43Å
52	A	97.9	Very high	94.3	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.008	24%	0.239	C	C	.	.			trans	-67.9	146.8	-178.9	0	0	0	0	0	112.5	K23 W50 Q59 I153	K23-A52 WeakPolarHBondContact CG-O 3.09Å; W50-A52 HydrophobicContact CH2-CB 4.32Å; W50-A52 HydrophobicContact CZ2-CB 3.87Å; A52-Q59 HydrophobicContact CB-CB 3.88Å; A52-Q59 HydrophobicContact CB-CG 3.66Å; A52-I153 HydrophobicContact CB-CB 4.04Å; A52-I153 HydrophobicContact CB-CG2 4.22Å; A52-I153 PolarHBondContact N-O 2.9Å
53	R	96.8	Very high	94.9	Very high	157 Å²	157	48.1 Å²	48.1	59%	0.592	23%	0.227	S	C	*	.	S	Bend	trans	-71.6	-39.2	177.6	-171.6	175	178.6	167.7	0.4	112.3	S21	S21-R53 WeakPolarHBondContact OG-CB 3.47Å; S21-R53 PolarHBondContact OG-N 3.33Å
54	Y	95.9	Very high	95.5	Very high	129 Å²	129	47.2 Å²	47.2	51%	0.506	21%	0.212	S	C	.	.	S	Bend	trans	-106.7	142.5	-176.9	-54.1	-71.1	0	0	0	110.4	D56 Q59	Y54-D56 PolarHBondContact O-N 2.9Å; Y54-Q59 VanDerWaalsContact O-CG 3.27Å; Y54-Q59 WeakPolarHBondContact O-CG 3.4Å
55	K	94	Very high	96	Very high	98 Å²	98	45.5 Å²	45.5	43%	0.426	21%	0.205	S	C	.	.			trans	-97.8	62	-176.6	-58.5	-173.8	-173.7	-154.6	0	110.8	W144 G151 D152	K55-W144 HydrophobicContact CB-CZ2 3.99Å; K55-G151 WeakPolarHBondContact CE-O 3.44Å; K55-G151 PolarHBondContact NZ-O 3.4Å; K55-D152 WeakPolarHBondContact CE-OD1 3.39Å; K55-D152 IonicContact NZ-OD1 3.54Å; K55-D152 PolarHBondContact NZ-OD1 2.82Å
56	D	95.2	Very high	96.1	Very high	56 Å²	56	45.7 Å²	45.7	30%	0.299	20%	0.204	S	C	.	.	S	Bend	trans	-134.7	172.4	179.7	66.2	46.9	0	0	0	111.8	Y54 N58 Q59 I153	Y54-D56 PolarHBondContact O-N 2.9Å; D56-N58 PolarHBondContact O-N 3Å; D56-N58 WeakPolarHBondContact OD1-CA 3.28Å; D56-N58 VanDerWaalsContact OD1-CB 3.26Å; D56-N58 WeakPolarHBondContact OD1-CB 3.39Å; D56-N58 PolarHBondContact OD1-N 3.5Å; D56-Q59 WeakPolarHBondContact O-CG 2.77Å; D56-Q59 PolarHBondContact OD1-NE2 3.29Å; D56-Q59 PolarHBondContact OD2-NE2 2.89Å; D56-I153 VanDerWaalsContact O-CD1 3.3Å; D56-I153 WeakPolarHBondContact O-CD1 3.46Å
57	K	96.7	Very high	96.1	Very high	127 Å²	127	46.9 Å²	46.9	55%	0.552	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	3.1	-177.3	-62.9	-178.7	175.9	-179.6	0	114	Q59 Q142	K57-Q59 VanDerWaalsContact C-N 3.32Å; K57-Q142 VanDerWaalsContact CE-O 3.31Å; K57-Q142 WeakPolarHBondContact CE-O 3.17Å
58	N	97.1	Very high	96.3	Very high	122 Å²	122	50.6 Å²	50.6	65%	0.652	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	1.9	179.9	-55.6	-44.8	0	0	0	112.3	D56	D56-N58 PolarHBondContact O-N 3Å; D56-N58 WeakPolarHBondContact OD1-CA 3.28Å; D56-N58 VanDerWaalsContact OD1-CB 3.26Å; D56-N58 WeakPolarHBondContact OD1-CB 3.39Å; D56-N58 PolarHBondContact OD1-N 3.5Å
59	Q	98.3	Very high	96.3	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.037	23%	0.23	C	C	.	.			trans	-78.9	150.3	-178.5	-53.3	-50.1	-55	0	0	112.1	S20 S21 W50 A52 Y54 D56 K57 P141 I153	S20-Q59 VanDerWaalsContact OG-CA 3.23Å; S20-Q59 WeakPolarHBondContact OG-CA 3.5Å; S20-Q59 PolarHBondContact OG-OE1 3.39Å; S21-Q59 PolarHBondContact OG-OE1 3.43Å; W50-Q59 HydrophobicContact CH2-CB 4.35Å; A52-Q59 HydrophobicContact CB-CB 3.88Å; A52-Q59 HydrophobicContact CB-CG 3.66Å; Y54-Q59 VanDerWaalsContact O-CG 3.27Å; Y54-Q59 WeakPolarHBondContact O-CG 3.4Å; D56-Q59 WeakPolarHBondContact O-CG 2.77Å; D56-Q59 PolarHBondContact OD1-NE2 3.29Å; D56-Q59 PolarHBondContact OD2-NE2 2.89Å; K57-Q59 VanDerWaalsContact C-N 3.32Å; Q59-P141 WeakPolarHBondContact O-CD 3.25Å; Q59-I153 HydrophobicContact CB-CD1 4.32Å; Q59-I153 HydrophobicContact CG-CD1 3.96Å
60	W	98.4	Very high	96.3	Very high	48 Å²	48	55.7 Å²	55.7	18%	0.182	25%	0.249	C	C	.	.			trans	-155.8	149.4	178.2	50.1	-97.2	0	0	0	113.3	R18 A19 S20 W50 E62 R138 I139	R18-W60 HydrophobicContact CB-CZ3 4.05Å; A19-W60 VanDerWaalsContact C-CZ3 3.42Å; A19-W60 CarbonylContact C-O 3.58Å; A19-W60 WeakPolarHBondContact CA-O 3.32Å; A19-W60 WeakPolarHBondContact CB-O 3.4Å; S20-W60 PolarHBondContact N-O 3.3Å; S20-W60 PolarHBondContact OG-N 3.36Å; W50-W60 VanDerWaalsContact CZ2-O 3.29Å; W50-W60 WeakPolarHBondContact CZ2-O 3.24Å; W60-E62 HydrophobicContact CE3-CB 3.58Å; W60-E62 HydrophobicContact CZ3-CB 3.44Å; W60-E62 VanDerWaalsContact CZ3-CB 3.44Å; W60-E62 HydrophobicContact CZ3-CG 4.38Å; W60-R138 HydrophobicContact CB-CB 4.38Å; W60-R138 HydrophobicContact CB-CG 4.24Å; W60-R138 HydrophobicContact CD2-CG 4.25Å; W60-R138 HydrophobicContact CE3-CG 4.1Å; W60-R138 HydrophobicContact CG-CG 4.33Å; W60-I139 VanDerWaalsContact CA-O 3.22Å; W60-I139 WeakPolarHBondContact CA-O 3.25Å
61	L	98.7	Very high	96.2	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.6	162	-176.4	68.5	0	0	0	108.2	A19 P29 W50 R138 I139 L155 A157	A19-L61 HydrophobicContact CB-CD1 4.45Å; P29-L61 HydrophobicContact CB-CD1 3.72Å; W50-L61 HydrophobicContact CB-CD1 4.27Å; W50-L61 HydrophobicContact CD2-CB 4.17Å; W50-L61 HydrophobicContact CD2-CD1 4.07Å; W50-L61 HydrophobicContact CE3-CB 3.68Å; W50-L61 HydrophobicContact CE3-CD1 4.31Å; W50-L61 HydrophobicContact CE3-CD2 4.36Å; W50-L61 HydrophobicContact CE3-CG 4.34Å; W50-L61 HydrophobicContact CG-CD1 4.03Å; W50-L61 HydrophobicContact CH2-CB 4.27Å; W50-L61 HydrophobicContact CZ3-CB 3.74Å; L61-R138 CarbonylContact O-C 3.51Å; L61-R138 VanDerWaalsContact O-CA 3.3Å; L61-R138 WeakPolarHBondContact O-CA 3.29Å; L61-I139 PolarHBondContact N-O 3.42Å; L61-I139 PolarHBondContact O-N 3.01Å; L61-L155 HydrophobicContact CD2-CD1 3.61Å; L61-A157 HydrophobicContact CD2-CB 4.38Å
62	E	98.4	Very high	96.2	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.019	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.8	-176.3	179.1	-179.5	101.3	0	0	110.6	L17 R18 W60 W102 I137 R138	L17-E62 WeakPolarHBondContact CA-O 3.42Å; R18-E62 HydrophobicContact CB-CB 4.18Å; R18-E62 WeakPolarHBondContact CD-OE1 3.45Å; R18-E62 PolarHBondContact N-O 3.18Å; R18-E62 PolarHBondContact O-N 3.33Å; W60-E62 HydrophobicContact CE3-CB 3.58Å; W60-E62 HydrophobicContact CZ3-CB 3.44Å; W60-E62 VanDerWaalsContact CZ3-CB 3.44Å; W60-E62 HydrophobicContact CZ3-CG 4.38Å; E62-W102 HydrophobicContact CG-CH2 4.12Å; E62-W102 VanDerWaalsContact OE2-CH2 3.3Å; E62-W102 WeakPolarHBondContact OE2-CH2 3.5Å; E62-W102 WeakPolarHBondContact OE2-CZ2 3.44Å; E62-I137 VanDerWaalsContact CA-O 3.3Å; E62-I137 WeakPolarHBondContact CA-O 3.49Å; E62-R138 HydrophobicContact CB-CG 3.83Å; E62-R138 HydrophobicContact CG-CG 4.08Å; E62-R138 IonicContact OE2-CZ 3.44Å; E62-R138 IonicContact OE2-NE 3.81Å; E62-R138 PolarHBondContact OE2-NE 3.22Å; E62-R138 IonicContact OE2-NH2 3.6Å; E62-R138 PolarHBondContact OE2-NH2 2.9Å
63	V	98.5	Very high	96.1	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	125.4	174	-172.8	0	0	0	0	109.2	L7 V12 L17 Y136 I137 V159	L7-V63 HydrophobicContact CD1-CG1 4.22Å; L7-V63 HydrophobicContact CD2-CG2 4.14Å; V12-V63 HydrophobicContact CG1-CG1 4.17Å; L17-V63 HydrophobicContact CD2-CB 4.26Å; L17-V63 HydrophobicContact CD2-CG1 4.12Å; L17-V63 HydrophobicContact CD2-CG2 3.75Å; V63-Y136 WeakPolarHBondContact O-CA 3.48Å; V63-I137 HydrophobicContact CB-CG2 3.74Å; V63-I137 HydrophobicContact CG2-CG2 4.3Å; V63-I137 PolarHBondContact N-O 2.7Å; V63-I137 PolarHBondContact O-N 2.04Å; V63-I137 VanDerWaalsContact O-N 3.15Å; V63-V159 HydrophobicContact CG2-CG2 4.09Å
64	D	97.8	Very high	96.2	Very high	23 Å²	23	49 Å²	49	12%	0.123	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	108.9	169.6	-175.5	0.4	0	0	0	110	Q16 Q66 R135 Y136	Q16-D64 HydrophobicContact CB-CB 4.29Å; Q16-D64 PolarHBondContact NE2-O 3.39Å; Q16-D64 PolarHBondContact O-N 3.23Å; D64-Q66 PolarHBondContact O-N 2.83Å; D64-Q66 VanDerWaalsContact OD1-CA 3.3Å; D64-Q66 WeakPolarHBondContact OD1-CA 3.18Å; D64-Q66 PolarHBondContact OD1-N 2.69Å; D64-R135 WeakPolarHBondContact OD1-CG 3.38Å; D64-R135 IonicContact OD1-CZ 2.91Å; D64-R135 IonicContact OD1-NE 2.97Å; D64-R135 PolarHBondContact OD1-NE 3.26Å; D64-R135 IonicContact OD1-NH2 3.38Å; D64-R135 IonicContact OD2-CZ 2.85Å; D64-R135 IonicContact OD2-NE 3.44Å; D64-R135 IonicContact OD2-NH2 3.63Å; D64-R135 PolarHBondContact OD2-NH2 3.29Å; D64-Y136 HydrophobicContact CB-CD1 3.78Å; D64-Y136 HydrophobicContact CB-CE1 3.56Å; D64-Y136 WeakPolarHBondContact OD1-CE1 3.32Å; D64-Y136 WeakPolarHBondContact OD2-CE1 3.3Å
65	A	95.4	Very high	96.3	Very high	15 Å²	15	43 Å²	43	12%	0.124	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-3	176.7	0	0	0	0	0	113.3	L5 K67 T69 F71 R135	L5-A65 HydrophobicContact CD1-CB 4.23Å; A65-K67 PolarHBondContact O-N 2.82Å; A65-T69 HydrophobicContact CB-CG2 4.39Å; A65-T69 WeakPolarHBondContact CB-OG1 3.49Å; A65-F71 HydrophobicContact CB-CE1 4.38Å; A65-F71 HydrophobicContact CB-CZ 3.95Å; A65-R135 WeakPolarHBondContact CB-O 3.47Å; A65-R135 PolarHBondContact N-O 3.3Å
66	Q	92.9	Very high	96.5	Very high	108 Å²	108	38.3 Å²	38.3	51%	0.505	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	62.5	-26.9	-175.7	-64	-179.5	-17.5	0	0	115.7	Q16 D64	Q16-Q66 HydrophobicContact CG-CG 4.14Å; D64-Q66 PolarHBondContact O-N 2.83Å; D64-Q66 VanDerWaalsContact OD1-CA 3.3Å; D64-Q66 WeakPolarHBondContact OD1-CA 3.18Å; D64-Q66 PolarHBondContact OD1-N 2.69Å
67	K	90.6	Very high	96.6	Very high	84 Å²	84	35.6 Å²	35.6	37%	0.365	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	158.6	179.3	-61.1	177.7	-174.3	168.8	0	109.8	A65 T69 T175	A65-K67 PolarHBondContact O-N 2.82Å; K67-T69 PolarHBondContact O-N 3.28Å; K67-T69 PolarHBondContact O-OG1 3.34Å; K67-T175 VanDerWaalsContact NZ-CB 3.26Å
68	L	92.9	Very high	96.6	Very high	80 Å²	80	29.6 Å²	29.6	42%	0.419	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	123.2	169.5	-73.4	175.1	0	0	0	109.5	L164	L68-L164 PolarHBondContact O-N 3.02Å
69	T	94.6	Very high	96.5	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132.4	-170.6	-62.1	0	0	0	0	108.4	L5 A65 K67 F71 V133 A134 C162	L5-T69 HydrophobicContact CD2-CG2 4.18Å; A65-T69 HydrophobicContact CB-CG2 4.39Å; A65-T69 WeakPolarHBondContact CB-OG1 3.49Å; K67-T69 PolarHBondContact O-N 3.28Å; K67-T69 PolarHBondContact O-OG1 3.34Å; T69-F71 HydrophobicContact CG2-CD1 4.25Å; T69-F71 HydrophobicContact CG2-CE1 4.09Å; T69-F71 HydrophobicContact CG2-CZ 4.29Å; T69-F71 PolarHBondContact O-N 2.98Å; T69-V133 WeakPolarHBondContact O-CA 3.05Å; T69-A134 PolarHBondContact N-O 3.47Å; T69-A134 PolarHBondContact O-N 2.94Å; T69-C162 CarbonylContact C-O 3.47Å; T69-C162 WeakPolarHBondContact CA-O 3.36Å
70	R	95.9	Very high	96.3	Very high	106 Å²	106	24.5 Å²	24.5	40%	0.4	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	100.5	170.4	-172.5	-180	115.2	-137.4	3.4	108.3	P131 A132 V133 G161 C162	R70-P131 HydrophobicContact CG-CB 4.26Å; R70-A132 WeakPolarHBondContact CA-O 3.43Å; R70-V133 HydrophobicContact CB-CG2 4.15Å; R70-V133 HydrophobicContact CG-CG2 4.19Å; R70-G161 VanDerWaalsContact O-CA 3.25Å; R70-G161 WeakPolarHBondContact O-CA 3.27Å; R70-C162 PolarHBondContact N-O 2.98Å; R70-C162 PolarHBondContact O-N 2.82Å
71	F	97.2	Very high	96.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	135	176	-62.8	-76.3	0	0	0	110.5	L5 A65 T69 F95 F128 P131 A132 A134 I137 V159	L5-F71 HydrophobicContact CD1-CE1 3.84Å; A65-F71 HydrophobicContact CB-CE1 4.38Å; A65-F71 HydrophobicContact CB-CZ 3.95Å; T69-F71 HydrophobicContact CG2-CD1 4.25Å; T69-F71 HydrophobicContact CG2-CE1 4.09Å; T69-F71 HydrophobicContact CG2-CZ 4.29Å; T69-F71 PolarHBondContact O-N 2.98Å; F71-F95 HydrophobicContact CB-CD1 4.35Å; F71-F95 HydrophobicContact CB-CE1 3.53Å; F71-F95 HydrophobicContact CB-CZ 4.18Å; F71-F95 AromaticContact CD2-CD1 3.64Å; F71-F95 HydrophobicContact CD2-CD1 3.64Å; F71-F95 AromaticContact CD2-CE1 3.7Å; F71-F95 HydrophobicContact CD2-CE1 3.7Å; F71-F95 HydrophobicContact CE2-CD1 4.24Å; F71-F95 HydrophobicContact CG-CD1 4.19Å; F71-F95 AromaticContact CG-CE1 3.76Å; F71-F95 HydrophobicContact CG-CE1 3.76Å; F71-F128 HydrophobicContact CB-CD2 4.39Å; F71-F128 HydrophobicContact CB-CE2 4.17Å; F71-P131 WeakPolarHBondContact O-CA 3.32Å; F71-P131 WeakPolarHBondContact O-CB 3.47Å; F71-A132 PolarHBondContact N-O 3.04Å; F71-A132 PolarHBondContact O-N 3.08Å; F71-A134 HydrophobicContact CD2-CB 4.26Å; F71-A134 HydrophobicContact CE2-CB 3.99Å; F71-A134 WeakPolarHBondContact CE2-O 3.26Å; F71-I137 HydrophobicContact CD1-CB 4.24Å; F71-I137 HydrophobicContact CD1-CD1 4.05Å; F71-I137 HydrophobicContact CD1-CG2 4.21Å; F71-I137 HydrophobicContact CD2-CB 4.49Å; F71-I137 HydrophobicContact CE1-CB 3.93Å; F71-I137 HydrophobicContact CE1-CD1 4.5Å; F71-I137 HydrophobicContact CE1-CG2 3.62Å; F71-I137 HydrophobicContact CE2-CB 4.2Å; F71-I137 HydrophobicContact CG-CD1 4.3Å; F71-I137 HydrophobicContact CZ-CB 3.91Å; F71-I137 HydrophobicContact CZ-CG2 3.88Å; F71-V159 HydrophobicContact CD1-CG1 3.54Å; F71-V159 HydrophobicContact CE1-CG1 3.78Å
72	T	96.8	Very high	95.5	Very high	18 Å²	18	28.5 Å²	28.5	11%	0.11	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	-16.7	-174.1	55.8	0	0	0	0	114.1	C2 F128 P131 L160	C2-T72 HydrophobicContact CB-CG2 4.17Å; C2-T72 WeakPolarHBondContact CB-OG1 3.45Å; C2-T72 VanDerWaalsContact SG-CG2 3.6Å; T72-F128 PolarHBondContact O-N 3.38Å; T72-P131 HydrophobicContact CG2-CB 4.28Å; T72-L160 PolarHBondContact N-O 3.12Å; T72-L160 PolarHBondContact OG1-O 2.91Å
73	G	96.9	Very high	95.1	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	175.3	176.8	0	0	0	0	0	112.5	S126 F128 L160	G73-S126 CarbonylContact C-O 3.59Å; G73-S126 WeakPolarHBondContact CA-O 3.48Å; G73-F128 VanDerWaalsContact C-CZ 3.43Å; G73-L160 PolarHBondContact N-O 2.85Å; G73-L160 PolarHBondContact O-N 2.96Å
74	A	97.6	Very high	94.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	152.3	171.6	0	0	0	0	0	109.5	L76 S126 F128 I139 E158	A74-L76 HydrophobicContact CB-CD1 4.14Å; A74-S126 PolarHBondContact N-O 3.35Å; A74-S126 PolarHBondContact O-N 3.08Å; A74-F128 HydrophobicContact CB-CE1 4.32Å; A74-F128 HydrophobicContact CB-CZ 3.95Å; A74-I139 HydrophobicContact CB-CD1 4.45Å; A74-E158 CarbonylContact C-O 3.16Å; A74-E158 WeakPolarHBondContact CA-O 3.23Å
75	I	98.3	Very high	94.3	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126	174.1	-56.2	173.7	0	0	0	106.6	L34 P123 V124 L125 A157 E158 L160 E306 L307	L34-I75 HydrophobicContact CD1-CG2 4.05Å; L34-I75 HydrophobicContact CD2-CG2 4.14Å; I75-P123 HydrophobicContact CG2-CB 3.73Å; I75-V124 VanDerWaalsContact CA-O 3.29Å; I75-V124 WeakPolarHBondContact CA-O 3.38Å; I75-L125 HydrophobicContact CD1-CD1 4.32Å; I75-L125 HydrophobicContact CG1-CB 4.38Å; I75-L125 HydrophobicContact CG1-CD1 3.73Å; I75-A157 CarbonylContact O-C 3.6Å; I75-A157 WeakPolarHBondContact O-CA 3.48Å; I75-E158 HydrophobicContact CB-CB 4.26Å; I75-E158 PolarHBondContact N-O 2.8Å; I75-E158 PolarHBondContact O-N 3Å; I75-L160 HydrophobicContact CD1-CD2 4.29Å; I75-E306 HydrophobicContact CD1-CB 3.33Å; I75-E306 HydrophobicContact CD1-CG 3.88Å; I75-L307 HydrophobicContact CD1-CD2 4.18Å; I75-L307 HydrophobicContact CG2-CD2 4.04Å
76	L	98	Very high	94.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	149.7	177.4	-86.4	68.2	0	0	0	110.8	A74 V88 Y91 N117 P123 V124 I139 L155 R156	A74-L76 HydrophobicContact CB-CD1 4.14Å; L76-V88 HydrophobicContact CD2-CG1 4.36Å; L76-Y91 HydrophobicContact CD1-CD1 4.43Å; L76-Y91 HydrophobicContact CD1-CE1 3.81Å; L76-Y91 HydrophobicContact CD1-CE2 3.89Å; L76-Y91 VanDerWaalsContact CD1-CZ 3.48Å; L76-Y91 HydrophobicContact CD2-CD1 3.45Å; L76-Y91 VanDerWaalsContact CD2-CD1 3.45Å; L76-Y91 HydrophobicContact CD2-CD2 4.39Å; L76-Y91 HydrophobicContact CD2-CE1 3.56Å; L76-Y91 HydrophobicContact CD2-CE2 4.45Å; L76-Y91 HydrophobicContact CD2-CG 3.89Å; L76-Y91 HydrophobicContact CG-CE1 4.23Å; L76-N117 VanDerWaalsContact C-OD1 3.32Å; L76-N117 WeakPolarHBondContact CB-OD1 3.42Å; L76-N117 PolarHBondContact O-ND2 2.93Å; L76-P123 WeakPolarHBondContact O-CA 3.32Å; L76-V124 PolarHBondContact N-O 2.92Å; L76-V124 PolarHBondContact O-N 3.06Å; L76-I139 HydrophobicContact CD1-CD1 4.2Å; L76-I139 HydrophobicContact CD1-CG2 4.45Å; L76-I139 HydrophobicContact CD2-CG2 4.3Å; L76-L155 HydrophobicContact CD2-CD2 4.23Å; L76-R156 WeakPolarHBondContact CA-O 3.34Å
77	Q	97.6	Very high	94.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	145.5	174.6	-168.2	-173.8	34	0	0	108.7	L34 N35 N117 E121 R156	L34-Q77 HydrophobicContact CD1-CB 3.66Å; L34-Q77 HydrophobicContact CD1-CG 4.4Å; N35-Q77 PolarHBondContact OD1-NE2 3.39Å; N35-Q77 PolarHBondContact OD1-OE1 3.45Å; Q77-N117 VanDerWaalsContact CA-ND2 3.32Å; Q77-N117 WeakPolarHBondContact CA-ND2 2.91Å; Q77-N117 WeakPolarHBondContact CA-OD1 3.42Å; Q77-N117 PolarHBondContact N-OD1 2.95Å; Q77-E121 PolarHBondContact NE2-O 2.91Å; Q77-R156 HydrophobicContact CB-CB 4.04Å; Q77-R156 PolarHBondContact N-O 2.96Å; Q77-R156 PolarHBondContact O-N 3.08Å
78	G	96.6	Very high	94.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.151	C	C	.	.			trans	-72.2	-179.4	177.7	0	0	0	0	0	112.6	I120 R156	G78-I120 CarbonylContact C-O 3.42Å; G78-I120 PolarHBondContact N-O 2.8Å; G78-R156 VanDerWaalsContact O-CZ 3.27Å; G78-R156 PolarHBondContact O-NE 2.97Å; G78-R156 PolarHBondContact O-NH2 3.43Å; G78-R156 VanDerWaalsContact O-NH2 3.07Å
79	R	95.5	Very high	94.9	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.015	15%	0.148	C	C	.	.			trans	-71.5	128.2	-178.9	177.9	178.3	-179.9	-154.9	-6.9	111.8	D42 D47 A49 S81 S84 D86 I120 C154	D42-R79 IonicContact OD1-NH2 3.6Å; D42-R79 PolarHBondContact OD1-NH2 3.31Å; D42-R79 IonicContact OD2-CZ 3.43Å; D42-R79 VanDerWaalsContact OD2-CZ 3.3Å; D42-R79 IonicContact OD2-NH1 3.27Å; D42-R79 PolarHBondContact OD2-NH1 2.96Å; D42-R79 IonicContact OD2-NH2 3.35Å; D42-R79 PolarHBondContact OD2-NH2 3.19Å; D47-R79 IonicContact OD1-NH2 3.93Å; D47-R79 PolarHBondContact OD1-NH2 3.01Å; A49-R79 HydrophobicContact CB-CB 3.78Å; A49-R79 HydrophobicContact CB-CG 3.79Å; R79-S81 PolarHBondContact O-N 2.61Å; R79-S84 PolarHBondContact NH1-OG 2.98Å; R79-D86 HydrophobicContact CB-CB 4.13Å; R79-D86 WeakPolarHBondContact CB-O 3.36Å; R79-D86 IonicContact CZ-OD2 3.08Å; R79-D86 PolarHBondContact N-O 2.91Å; R79-D86 IonicContact NH1-OD2 2.68Å; R79-D86 PolarHBondContact NH1-OD2 3.46Å; R79-I120 WeakPolarHBondContact O-CB 3.26Å; R79-C154 HydrophobicContact CB-CB 3.95Å
80	N	94.8	Very high	95.1	Very high	20 Å²	20	34.2 Å²	34.2	11%	0.107	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-73.3	115.7	166.3	-176	-112.4	0	0	0	109.1	Q37 S38 G48 E121	Q37-N80 WeakPolarHBondContact CA-OD1 3.46Å; S38-N80 VanDerWaalsContact CB-O 3.31Å; S38-N80 WeakPolarHBondContact CB-O 3.46Å; S38-N80 PolarHBondContact N-OD1 3.21Å; S38-N80 PolarHBondContact OG-O 3.5Å; S38-N80 PolarHBondContact OG-OD1 2.99Å; G48-N80 WeakPolarHBondContact CA-O 3.39Å; G48-N80 PolarHBondContact O-N 2.87Å; G48-N80 VanDerWaalsContact O-N 3.08Å; N80-E121 PolarHBondContact ND2-OE1 2.8Å; N80-E121 VanDerWaalsContact ND2-OE1 3.08Å
81	S	92.1	Very high	95.2	Very high	8 Å²	8	29.2 Å²	29.2	6%	0.056	13%	0.134	C	C	.	.			trans	-164.1	143.7	176.5	173.1	0	0	0	0	108.8	D42 R79 W83 S84	D42-S81 VanDerWaalsContact CG-OG 3.32Å; D42-S81 WeakPolarHBondContact OD1-CB 3.43Å; D42-S81 PolarHBondContact OD1-OG 2.9Å; D42-S81 PolarHBondContact OD2-OG 3.44Å; R79-S81 PolarHBondContact O-N 2.61Å; S81-W83 VanDerWaalsContact C-N 3.33Å; S81-W83 PolarHBondContact OG-N 2.8Å; S81-S84 PolarHBondContact OG-N 3.2Å
82	I	87.9	Confident	95.2	Very high	125 Å²	125	31.5 Å²	31.5	64%	0.641	14%	0.144	S	C	*	.	S	Bend	trans	-80.5	-22.9	172.4	-56.7	170	0	0	0	110.5
83	W	88.5	Confident	95.3	Very high	163 Å²	163	30.8 Å²	30.8	62%	0.617	14%	0.14	S	C	*	.	S	Bend	trans	-104.7	-26.3	-168.6	-52.3	106.9	0	0	0	113.6	I40 D42 S81	I40-W83 PolarHBondContact O-NE1 2.85Å; D42-W83 HydrophobicContact CB-CB 4.48Å; S81-W83 VanDerWaalsContact C-N 3.33Å; S81-W83 PolarHBondContact OG-N 2.8Å
84	S	88.7	Confident	95.3	Very high	30 Å²	30	33.1 Å²	33.1	21%	0.21	15%	0.151	C	C	.	.			trans	-125.3	135.1	-170.2	-63.5	0	0	0	0	112.3	D42 R79 S81 D86	D42-S84 WeakPolarHBondContact OD2-CB 3.45Å; D42-S84 PolarHBondContact OD2-OG 3.23Å; R79-S84 PolarHBondContact NH1-OG 2.98Å; S81-S84 PolarHBondContact OG-N 3.2Å; S84-D86 WeakPolarHBondContact CB-OD2 3.16Å
85	W	91.1	Very high	95.3	Very high	136 Å²	136	33.7 Å²	33.7	52%	0.515	15%	0.153	S	C	.	.			trans	-105.2	77.3	173.8	-94.5	66.6	0	0	0	110.2	M87 D119 I120 Y145	W85-M87 HydrophobicContact CE3-CE 4.19Å; W85-M87 HydrophobicContact CZ3-CE 4.32Å; W85-D119 HydrophobicContact CH2-CB 4.09Å; W85-D119 HydrophobicContact CZ3-CB 4.15Å; W85-I120 HydrophobicContact CD2-CG2 4.19Å; W85-I120 HydrophobicContact CE3-CG2 4.19Å; W85-I120 HydrophobicContact CG-CG2 4.41Å; W85-I120 HydrophobicContact CZ2-CG1 4.47Å; W85-Y145 HydrophobicContact CB-CE1 4.29Å; W85-Y145 WeakPolarHBondContact O-CD1 3.38Å
86	D	94.5	Very high	95.3	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.048	15%	0.154	C	C	.	.			trans	-110.8	124.3	179.5	-59.2	-58.2	0	0	0	111.2	R79 S84 D152 C154	R79-D86 HydrophobicContact CB-CB 4.13Å; R79-D86 WeakPolarHBondContact CB-O 3.36Å; R79-D86 IonicContact CZ-OD2 3.08Å; R79-D86 PolarHBondContact N-O 2.91Å; R79-D86 IonicContact NH1-OD2 2.68Å; R79-D86 PolarHBondContact NH1-OD2 3.46Å; S84-D86 WeakPolarHBondContact CB-OD2 3.16Å; D86-D152 PolarHBondContact OD1-N 3.26Å; D86-C154 HydrophobicContact CB-CB 3.57Å; D86-C154 WeakPolarHBondContact CB-SG 3.36Å
87	M	95.8	Very high	95.2	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.025	18%	0.179	C	C	.	.			trans	-156.3	147.7	-178.9	60.5	-171.2	172.2	0	0	112.2	W85 N117 Q118 D119 W144 Y145	W85-M87 HydrophobicContact CE3-CE 4.19Å; W85-M87 HydrophobicContact CZ3-CE 4.32Å; M87-N117 HydrophobicContact CB-CB 4.29Å; M87-Q118 VanDerWaalsContact CE-O 3.3Å; M87-Q118 WeakPolarHBondContact CE-O 3.04Å; M87-D119 VanDerWaalsContact SD-C 3.56Å; M87-D119 VanDerWaalsContact SD-CA 3.52Å; M87-D119 PolarHBondContact SD-N 2.84Å; M87-D119 VanDerWaalsContact SD-N 3.42Å; M87-W144 CarbonylContact O-C 3.55Å; M87-W144 VanDerWaalsContact O-CA 3.29Å; M87-W144 WeakPolarHBondContact O-CA 3.42Å; M87-W144 WeakPolarHBondContact O-CB 3.22Å; M87-Y145 HydrophobicContact CE-CD2 3.56Å; M87-Y145 HydrophobicContact CE-CE2 4.36Å; M87-Y145 HydrophobicContact CE-CG 3.73Å; M87-Y145 PolarHBondContact O-N 3.1Å
88	V	97.8	Very high	95	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.8	172.5	170.1	0	0	0	0	109.9	L76 T90 N117 P141 W144 I153 C154 L155	L76-V88 HydrophobicContact CD2-CG1 4.36Å; V88-T90 WeakPolarHBondContact CG1-O 3.41Å; V88-N117 PolarHBondContact O-N 2.8Å; V88-P141 HydrophobicContact CG1-CB 3.96Å; V88-P141 HydrophobicContact CG1-CG 4.37Å; V88-P141 HydrophobicContact CG2-CB 3.81Å; V88-P141 HydrophobicContact CG2-CG 3.9Å; V88-W144 HydrophobicContact CG2-CB 4.49Å; V88-I153 HydrophobicContact CG2-CG2 3.99Å; V88-C154 PolarHBondContact N-O 2.83Å; V88-L155 HydrophobicContact CB-CB 4.45Å; V88-L155 HydrophobicContact CB-CD2 4.39Å; V88-L155 HydrophobicContact CG2-CB 4.22Å; V88-L155 HydrophobicContact CG2-CD2 3.99Å
89	Q	97	Very high	94.8	Very high	74 Å²	74	44.6 Å²	44.6	35%	0.346	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-33.8	-177.1	-72	-179.3	-29	0	0	112.5	G116 T143	Q89-G116 WeakPolarHBondContact O-CA 3.48Å; Q89-G116 PolarHBondContact O-N 2.68Å; Q89-T143 PolarHBondContact N-O 3.27Å
90	T	98.1	Very high	94.7	Very high	19 Å²	19	51.3 Å²	51.3	12%	0.117	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	149.6	172.8	66.1	0	0	0	0	110.7	V88 F114 Q142 T143	V88-T90 WeakPolarHBondContact CG1-O 3.41Å; T90-F114 CarbonylContact C-O 3.54Å; T90-F114 VanDerWaalsContact CA-O 3.24Å; T90-F114 WeakPolarHBondContact CA-O 3.49Å; T90-Q142 PolarHBondContact O-N 3.2Å; T90-T143 WeakPolarHBondContact CB-OG1 3.43Å; T90-T143 WeakPolarHBondContact CG2-OG1 3.36Å; T90-T143 PolarHBondContact N-O 2.94Å; T90-T143 PolarHBondContact N-OG1 3.04Å; T90-T143 PolarHBondContact O-N 2.94Å; T90-T143 WeakPolarHBondContact OG1-CB 3.3Å; T90-T143 PolarHBondContact OG1-N 3.1Å; T90-T143 PolarHBondContact OG1-OG1 3.01Å
91	Y	98.4	Very high	94.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	163.2	-178.4	68.6	-78.1	0	0	0	112.1	L76 V93 F114 S126 I139 N140	L76-Y91 HydrophobicContact CD1-CD1 4.43Å; L76-Y91 HydrophobicContact CD1-CE1 3.81Å; L76-Y91 HydrophobicContact CD1-CE2 3.89Å; L76-Y91 VanDerWaalsContact CD1-CZ 3.48Å; L76-Y91 HydrophobicContact CD2-CD1 3.45Å; L76-Y91 VanDerWaalsContact CD2-CD1 3.45Å; L76-Y91 HydrophobicContact CD2-CD2 4.39Å; L76-Y91 HydrophobicContact CD2-CE1 3.56Å; L76-Y91 HydrophobicContact CD2-CE2 4.45Å; L76-Y91 HydrophobicContact CD2-CG 3.89Å; L76-Y91 HydrophobicContact CG-CE1 4.23Å; Y91-V93 HydrophobicContact CD2-CG2 3.89Å; Y91-V93 HydrophobicContact CE2-CG2 3.61Å; Y91-F114 HydrophobicContact CD1-CB 3.93Å; Y91-F114 HydrophobicContact CD2-CB 4.33Å; Y91-F114 HydrophobicContact CD2-CD2 4.35Å; Y91-F114 HydrophobicContact CE1-CB 3.44Å; Y91-F114 VanDerWaalsContact CE1-CB 3.44Å; Y91-F114 HydrophobicContact CE2-CB 3.92Å; Y91-F114 AromaticContact CE2-CD2 4Å; Y91-F114 HydrophobicContact CE2-CD2 4Å; Y91-F114 HydrophobicContact CE2-CG 4.21Å; Y91-F114 HydrophobicContact CG-CB 4.35Å; Y91-F114 VanDerWaalsContact CZ-CB 3.45Å; Y91-F114 PolarHBondContact N-O 3.16Å; Y91-F114 PolarHBondContact O-N 2.89Å; Y91-S126 WeakPolarHBondContact OH-CB 3.31Å; Y91-S126 PolarHBondContact OH-OG 3.37Å; Y91-I139 HydrophobicContact CD2-CG2 3.68Å; Y91-I139 HydrophobicContact CE2-CG2 4.25Å; Y91-I139 HydrophobicContact CG-CG2 4.17Å; Y91-N140 CarbonylContact C-O 3.58Å; Y91-N140 WeakPolarHBondContact CA-O 3.44Å
92	K	97.8	Very high	95	Very high	49 Å²	49	57.1 Å²	57.1	21%	0.213	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	162.6	169.4	-69.5	178.8	177.4	-175.4	0	109.3	E111 I113 N140 Q142	K92-E111 WeakPolarHBondContact CE-OE2 3.42Å; K92-E111 IonicContact NZ-OE2 3.61Å; K92-E111 PolarHBondContact NZ-OE2 2.95Å; K92-I113 HydrophobicContact CG-CG1 4.23Å; K92-N140 HydrophobicContact CB-CB 4.32Å; K92-N140 PolarHBondContact N-O 2.73Å; K92-N140 PolarHBondContact O-N 3.21Å; K92-Q142 HydrophobicContact CB-CG 4.42Å; K92-Q142 HydrophobicContact CD-CG 4.14Å; K92-Q142 HydrophobicContact CG-CG 3.75Å
93	V	98	Very high	95.4	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.8	176.6	177.4	0	0	0	0	110	Y91 F95 C105 F114 F128 I137 R138	Y91-V93 HydrophobicContact CD2-CG2 3.89Å; Y91-V93 HydrophobicContact CE2-CG2 3.61Å; V93-F95 HydrophobicContact CG1-CE1 3.86Å; V93-F95 HydrophobicContact CG1-CE2 3.98Å; V93-F95 HydrophobicContact CG1-CZ 3.53Å; V93-C105 HydrophobicContact CB-CB 4.03Å; V93-C105 HydrophobicContact CG1-CB 4.48Å; V93-C105 WeakPolarHBondContact O-CB 3.39Å; V93-C105 PolarHBondContact O-N 3.25Å; V93-F114 HydrophobicContact CB-CE2 4.14Å; V93-F114 HydrophobicContact CG2-CD2 4Å; V93-F114 HydrophobicContact CG2-CE2 3.88Å; V93-F128 HydrophobicContact CB-CE1 4.45Å; V93-F128 HydrophobicContact CB-CZ 4.38Å; V93-F128 HydrophobicContact CG1-CE1 4.5Å; V93-F128 HydrophobicContact CG1-CE2 4.32Å; V93-F128 HydrophobicContact CG1-CZ 3.97Å; V93-F128 HydrophobicContact CG2-CE1 3.87Å; V93-F128 HydrophobicContact CG2-CZ 3.93Å; V93-I137 HydrophobicContact CG1-CD1 3.79Å; V93-I137 HydrophobicContact CG1-CG1 3.66Å; V93-R138 VanDerWaalsContact CA-O 3.27Å; V93-R138 WeakPolarHBondContact CA-O 3.46Å
94	Q	97.3	Very high	95.8	Very high	50 Å²	50	52.1 Å²	52.1	23%	0.234	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	151.5	174.7	-59.6	179	-37	0	0	110.9	W102 K103 I137 R138 N140	Q94-W102 HydrophobicContact CB-CB 4.38Å; Q94-W102 HydrophobicContact CB-CE3 3.83Å; Q94-K103 CarbonylContact C-O 3.38Å; Q94-K103 WeakPolarHBondContact CA-O 3.49Å; Q94-I137 CarbonylContact O-C 3.49Å; Q94-I137 WeakPolarHBondContact O-CA 3.26Å; Q94-R138 HydrophobicContact CB-CB 4.34Å; Q94-R138 PolarHBondContact N-O 3.18Å; Q94-R138 PolarHBondContact O-N 3.13Å; Q94-N140 WeakPolarHBondContact CG-OD1 3.13Å
95	F	97.8	Very high	96.1	Very high	12 Å²	12	50.9 Å²	50.9	5%	0.053	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.2	-178.3	-56.6	-75.4	0	0	0	111.6	F71 V93 W102 K103 C105 F128 A132 A134 Y136 I137	F71-F95 HydrophobicContact CB-CD1 4.35Å; F71-F95 HydrophobicContact CB-CE1 3.53Å; F71-F95 HydrophobicContact CB-CZ 4.18Å; F71-F95 AromaticContact CD2-CD1 3.64Å; F71-F95 HydrophobicContact CD2-CD1 3.64Å; F71-F95 AromaticContact CD2-CE1 3.7Å; F71-F95 HydrophobicContact CD2-CE1 3.7Å; F71-F95 HydrophobicContact CE2-CD1 4.24Å; F71-F95 HydrophobicContact CG-CD1 4.19Å; F71-F95 AromaticContact CG-CE1 3.76Å; F71-F95 HydrophobicContact CG-CE1 3.76Å; V93-F95 HydrophobicContact CG1-CE1 3.86Å; V93-F95 HydrophobicContact CG1-CE2 3.98Å; V93-F95 HydrophobicContact CG1-CZ 3.53Å; F95-W102 WeakPolarHBondContact O-CA 3.35Å; F95-K103 PolarHBondContact N-O 3.11Å; F95-K103 PolarHBondContact O-N 3.47Å; F95-C105 HydrophobicContact CE2-CB 3.75Å; F95-F128 HydrophobicContact CE1-CE2 4.18Å; F95-F128 AromaticContact CZ-CD2 3.83Å; F95-F128 HydrophobicContact CZ-CD2 3.83Å; F95-F128 AromaticContact CZ-CE2 3.76Å; F95-F128 HydrophobicContact CZ-CE2 3.76Å; F95-A132 HydrophobicContact CB-CB 4.45Å; F95-A132 HydrophobicContact CD1-CB 4.12Å; F95-A132 HydrophobicContact CD2-CB 3.39Å; F95-A132 HydrophobicContact CE1-CB 4.19Å; F95-A132 HydrophobicContact CE2-CB 3.47Å; F95-A132 VanDerWaalsContact CE2-CB 3.47Å; F95-A132 HydrophobicContact CG-CB 3.73Å; F95-A132 HydrophobicContact CZ-CB 3.89Å; F95-A134 HydrophobicContact CB-CB 3.74Å; F95-A134 HydrophobicContact CD1-CB 4.38Å; F95-A134 HydrophobicContact CG-CB 4.43Å; F95-Y136 WeakPolarHBondContact CA-O 3.45Å; F95-I137 HydrophobicContact CD1-CB 4.13Å; F95-I137 HydrophobicContact CD1-CD1 4.48Å; F95-I137 HydrophobicContact CD1-CG1 4Å; F95-I137 HydrophobicContact CE1-CB 4.2Å; F95-I137 HydrophobicContact CE1-CD1 3.72Å; F95-I137 HydrophobicContact CE1-CG1 3.69Å; F95-I137 HydrophobicContact CZ-CD1 4.45Å
96	S	97.7	Very high	96.2	Very high	5 Å²	5	47.4 Å²	47.4	4%	0.035	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	155.7	176.5	-174.1	0	0	0	0	112.1	D98 T99 L101 R135 Y136	S96-D98 PolarHBondContact OG-N 2.84Å; S96-D98 PolarHBondContact OG-OD1 2.66Å; S96-D98 VanDerWaalsContact OG-OD1 3.13Å; S96-T99 WeakPolarHBondContact OG-CA 3.41Å; S96-T99 PolarHBondContact OG-N 3.44Å; S96-L101 WeakPolarHBondContact CB-O 2.89Å; S96-L101 PolarHBondContact OG-O 3.27Å; S96-R135 PolarHBondContact O-N 2.93Å; S96-Y136 PolarHBondContact N-O 2.96Å; S96-Y136 WeakPolarHBondContact O-CD2 3.42Å; S96-Y136 PolarHBondContact O-N 3.43Å
97	N	95.8	Very high	96	Very high	96 Å²	96	51.5 Å²	51.5	51%	0.513	26%	0.262	S	S	.	.	S	Bend	trans	-106.4	-18.4	171.2	-74.8	-25.4	0	0	0	113	A134 R135	N97-A134 WeakPolarHBondContact OD1-CA 3.37Å; N97-R135 PolarHBondContact OD1-N 3.14Å; N97-R135 VanDerWaalsContact OD1-N 3.13Å
98	D	93.5	Very high	95.5	Very high	82 Å²	82	54.2 Å²	54.2	44%	0.439	29%	0.291	S	S	.	.	S	Bend	trans	-130.9	0.1	-169.5	60	11.7	0	0	0	113.5	S96 L100 L101	S96-D98 PolarHBondContact OG-N 2.84Å; S96-D98 PolarHBondContact OG-OD1 2.66Å; S96-D98 VanDerWaalsContact OG-OD1 3.13Å; D98-L100 PolarHBondContact O-N 3.48Å; D98-L100 VanDerWaalsContact O-N 3.14Å; D98-L100 PolarHBondContact OD1-N 2.7Å; D98-L101 PolarHBondContact OD1-N 3.04Å
99	T	93.5	Very high	95	Very high	47 Å²	47	60 Å²	60	29%	0.288	33%	0.331	S	S	.	.	S	Bend	trans	64.7	-0.9	-173	70.6	0	0	0	0	115.6	S96 W102 Y136	S96-T99 WeakPolarHBondContact OG-CA 3.41Å; S96-T99 PolarHBondContact OG-N 3.44Å; T99-W102 PolarHBondContact O-NE1 3.27Å; T99-Y136 HydrophobicContact CG2-CD1 3.84Å; T99-Y136 HydrophobicContact CG2-CD2 3.73Å; T99-Y136 HydrophobicContact CG2-CE1 3.62Å; T99-Y136 HydrophobicContact CG2-CE2 3.51Å; T99-Y136 HydrophobicContact CG2-CG 3.9Å; T99-Y136 VanDerWaalsContact CG2-CZ 3.46Å
100	L	93.4	Very high	94.8	Very high	146 Å²	146	64.4 Å²	64.4	76%	0.764	35%	0.349	S	S	*	.	S	Bend	trans	-98	-52.7	-179.8	-61.4	176	0	0	0	111	D98	D98-L100 PolarHBondContact O-N 3.48Å; D98-L100 VanDerWaalsContact O-N 3.14Å; D98-L100 PolarHBondContact OD1-N 2.7Å
101	L	96.1	Very high	94.6	Very high	110 Å²	110	67.7 Å²	67.7	58%	0.576	36%	0.363	S	S	*	.	S	Bend	trans	-98.2	121.1	178.6	-176.4	66.8	0	0	0	110.2	S96 D98	S96-L101 WeakPolarHBondContact CB-O 2.89Å; S96-L101 PolarHBondContact OG-O 3.27Å; D98-L101 PolarHBondContact OD1-N 3.04Å
102	W	97	Very high	94.4	Very high	40 Å²	40	67.9 Å²	67.9	15%	0.152	37%	0.365	C	S	.	.			trans	-111.7	126.2	179.6	-69.3	85.7	0	0	0	110.6	E62 Q94 F95 T99 R138	E62-W102 HydrophobicContact CG-CH2 4.12Å; E62-W102 VanDerWaalsContact OE2-CH2 3.3Å; E62-W102 WeakPolarHBondContact OE2-CH2 3.5Å; E62-W102 WeakPolarHBondContact OE2-CZ2 3.44Å; Q94-W102 HydrophobicContact CB-CB 4.38Å; Q94-W102 HydrophobicContact CB-CE3 3.83Å; F95-W102 WeakPolarHBondContact O-CA 3.35Å; T99-W102 PolarHBondContact O-NE1 3.27Å; W102-R138 HydrophobicContact CE3-CB 4.23Å; W102-R138 HydrophobicContact CE3-CG 4.07Å; W102-R138 HydrophobicContact CH2-CB 4.37Å; W102-R138 HydrophobicContact CH2-CG 3.51Å; W102-R138 VanDerWaalsContact CH2-NE 3.32Å; W102-R138 HydrophobicContact CZ2-CG 4.22Å; W102-R138 VanDerWaalsContact CZ2-NH2 3.29Å; W102-R138 HydrophobicContact CZ3-CB 3.79Å; W102-R138 HydrophobicContact CZ3-CG 3.44Å; W102-R138 VanDerWaalsContact CZ3-CG 3.44Å
103	K	96.1	Very high	94.4	Very high	141 Å²	141	70.5 Å²	70.5	61%	0.613	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	126	177.5	-64.5	-178.3	-177.7	178.3	0	109.4	Q94 F95	Q94-K103 CarbonylContact C-O 3.38Å; Q94-K103 WeakPolarHBondContact CA-O 3.49Å; F95-K103 PolarHBondContact N-O 3.11Å; F95-K103 PolarHBondContact O-N 3.47Å
104	P	95.9	Very high	94.3	Very high	42 Å²	42	71.2 Å²	71.2	27%	0.273	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	149.8	178.1	29.2	-34.2	0	0	0	111.5	M106 E111	P104-M106 HydrophobicContact CB-SD 4.4Å; P104-M106 HydrophobicContact CG-SD 3.91Å; P104-E111 HydrophobicContact CB-CG 3.86Å; P104-E111 HydrophobicContact CG-CG 4.01Å
105	C	95.6	Very high	94.3	Very high	4 Å²	4	75 Å²	75	3%	0.027	40%	0.401	C	S	.	.			trans	-67.4	132.4	164.5	-168.9	0	0	0	0	109	V93 F95 A112 F114	V93-C105 HydrophobicContact CB-CB 4.03Å; V93-C105 HydrophobicContact CG1-CB 4.48Å; V93-C105 WeakPolarHBondContact O-CB 3.39Å; V93-C105 PolarHBondContact O-N 3.25Å; F95-C105 HydrophobicContact CE2-CB 3.75Å; C105-A112 PolarHBondContact O-N 2.84Å; C105-F114 HydrophobicContact CB-CE2 4.3Å; C105-F114 HydrophobicContact CB-CZ 4.48Å
106	M	93.4	Very high	94.1	Very high	63 Å²	63	74.8 Å²	74.8	31%	0.31	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	143.2	-174.6	-59.5	-61.2	-75.6	0	0	110.8	P104 S109 K110 E111	P104-M106 HydrophobicContact CB-SD 4.4Å; P104-M106 HydrophobicContact CG-SD 3.91Å; M106-S109 WeakPolarHBondContact CE-O 3.08Å; M106-K110 WeakPolarHBondContact CA-O 3.42Å; M106-E111 HydrophobicContact SD-CG 4.18Å
107	N	89.1	Confident	94.1	Very high	95 Å²	95	74.6 Å²	74.6	51%	0.508	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	97.9	162.2	-174.3	-15.2	0	0	0	107.4	S109 K110 A112 D129	N107-S109 PolarHBondContact O-N 2.8Å; N107-K110 PolarHBondContact N-O 3.19Å; N107-K110 PolarHBondContact O-N 3.08Å; N107-A112 HydrophobicContact CB-CB 4Å; N107-D129 VanDerWaalsContact CG-OD2 3.23Å; N107-D129 PolarHBondContact ND2-OD2 2.75Å
108	G	86.8	Confident	94	Very high	62 Å²	62	78.3 Å²	78.3	64%	0.639	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	-117.4	-168	0	0	0	0	0	111.5
109	S	87.4	Confident	93.9	Very high	120 Å²	120	76.7 Å²	76.7	84%	0.839	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-2.6	-178.3	-50.6	0	0	0	0	114.6	M106 N107	M106-S109 WeakPolarHBondContact CE-O 3.08Å; N107-S109 PolarHBondContact O-N 2.8Å
110	K	92.2	Very high	93.8	Very high	168 Å²	168	75 Å²	75	73%	0.73	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	154.6	-179.5	-66.5	-178.5	-179.6	177.8	0	110.6	M106 N107 A112	M106-K110 WeakPolarHBondContact CA-O 3.42Å; N107-K110 PolarHBondContact N-O 3.19Å; N107-K110 PolarHBondContact O-N 3.08Å; K110-A112 PolarHBondContact O-N 2.96Å
111	E	93.2	Very high	93.8	Very high	87 Å²	87	71.4 Å²	71.4	41%	0.407	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	131.7	170	-63.1	-173.8	166.4	0	0	109.8	K92 P104 M106	K92-E111 WeakPolarHBondContact CE-OE2 3.42Å; K92-E111 IonicContact NZ-OE2 3.61Å; K92-E111 PolarHBondContact NZ-OE2 2.95Å; P104-E111 HydrophobicContact CB-CG 3.86Å; P104-E111 HydrophobicContact CG-CG 4.01Å; M106-E111 HydrophobicContact SD-CG 4.18Å
112	A	94.9	Very high	93.7	Very high	5 Å²	5	69.1 Å²	69.1	4%	0.041	37%	0.365	C	S	.	.			trans	-70.5	130.2	177.8	0	0	0	0	0	110.1	C105 N107 K110 F114	C105-A112 PolarHBondContact O-N 2.84Å; N107-A112 HydrophobicContact CB-CB 4Å; K110-A112 PolarHBondContact O-N 2.96Å; A112-F114 HydrophobicContact CB-CE1 4.26Å; A112-F114 HydrophobicContact CB-CE2 3.73Å; A112-F114 HydrophobicContact CB-CZ 3.57Å
113	I	96.8	Very high	93.7	Very high	104 Å²	104	67.6 Å²	67.6	53%	0.533	36%	0.36	S	S	.	.			trans	-109.1	126	168.2	-60.7	173.8	0	0	0	106.2	K92	K92-I113 HydrophobicContact CG-CG1 4.23Å
114	F	97.2	Very high	93.7	Very high	17 Å²	17	62.8 Å²	62.8	8%	0.075	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	142.6	-179.1	-59.5	-78.1	0	0	0	110	T90 Y91 V93 C105 A112 F128	T90-F114 CarbonylContact C-O 3.54Å; T90-F114 VanDerWaalsContact CA-O 3.24Å; T90-F114 WeakPolarHBondContact CA-O 3.49Å; Y91-F114 HydrophobicContact CD1-CB 3.93Å; Y91-F114 HydrophobicContact CD2-CB 4.33Å; Y91-F114 HydrophobicContact CD2-CD2 4.35Å; Y91-F114 HydrophobicContact CE1-CB 3.44Å; Y91-F114 VanDerWaalsContact CE1-CB 3.44Å; Y91-F114 HydrophobicContact CE2-CB 3.92Å; Y91-F114 AromaticContact CE2-CD2 4Å; Y91-F114 HydrophobicContact CE2-CD2 4Å; Y91-F114 HydrophobicContact CE2-CG 4.21Å; Y91-F114 HydrophobicContact CG-CB 4.35Å; Y91-F114 VanDerWaalsContact CZ-CB 3.45Å; Y91-F114 PolarHBondContact N-O 3.16Å; Y91-F114 PolarHBondContact O-N 2.89Å; V93-F114 HydrophobicContact CB-CE2 4.14Å; V93-F114 HydrophobicContact CG2-CD2 4Å; V93-F114 HydrophobicContact CG2-CE2 3.88Å; C105-F114 HydrophobicContact CB-CE2 4.3Å; C105-F114 HydrophobicContact CB-CZ 4.48Å; A112-F114 HydrophobicContact CB-CE1 4.26Å; A112-F114 HydrophobicContact CB-CE2 3.73Å; A112-F114 HydrophobicContact CB-CZ 3.57Å; F114-F128 AromaticContact CE1-CD1 3.78Å; F114-F128 HydrophobicContact CE1-CD1 3.78Å; F114-F128 HydrophobicContact CE1-CE1 4.33Å; F114-F128 HydrophobicContact CE2-CD1 4.09Å; F114-F128 HydrophobicContact CE2-CE1 4.13Å; F114-F128 AromaticContact CZ-CD1 3.44Å; F114-F128 HydrophobicContact CZ-CD1 3.44Å; F114-F128 VanDerWaalsContact CZ-CD1 3.44Å; F114-F128 AromaticContact CZ-CE1 3.93Å; F114-F128 HydrophobicContact CZ-CE1 3.93Å; F114-F128 HydrophobicContact CZ-CG 4.43Å
115	E	97.2	Very high	93.8	Very high	130 Å²	130	64.2 Å²	64.2	61%	0.607	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	131.1	171.4	-61.8	-61	144.4	0	0	109.3	S126	E115-S126 PolarHBondContact O-OG 3.25Å
116	G	94.4	Very high	93.8	Very high	6 Å²	6	64.6 Å²	64.6	6%	0.062	35%	0.35	C	S	.	.			trans	-98.7	-136.8	176.1	0	0	0	0	0	111.2	Q89	Q89-G116 WeakPolarHBondContact O-CA 3.48Å; Q89-G116 PolarHBondContact O-N 2.68Å
117	N	96.2	Very high	93.9	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.011	36%	0.36	C	S	.	.			trans	-93.3	148.7	-170.1	-58.7	97.2	0	0	0	113.5	L76 Q77 M87 V88 D119 T122	L76-N117 VanDerWaalsContact C-OD1 3.32Å; L76-N117 WeakPolarHBondContact CB-OD1 3.42Å; L76-N117 PolarHBondContact O-ND2 2.93Å; Q77-N117 VanDerWaalsContact CA-ND2 3.32Å; Q77-N117 WeakPolarHBondContact CA-ND2 2.91Å; Q77-N117 WeakPolarHBondContact CA-OD1 3.42Å; Q77-N117 PolarHBondContact N-OD1 2.95Å; M87-N117 HydrophobicContact CB-CB 4.29Å; V88-N117 PolarHBondContact O-N 2.8Å; N117-D119 WeakPolarHBondContact CB-O 3.41Å; N117-T122 PolarHBondContact ND2-O 3.31Å
118	Q	93.3	Very high	94.2	Very high	174 Å²	174	62.3 Å²	62.3	81%	0.813	34%	0.338	S	S	*	.	S	Bend	trans	-104.7	-16	170.9	-63.1	-176.7	-1.6	0	0	112.6	M87	M87-Q118 VanDerWaalsContact CE-O 3.3Å; M87-Q118 WeakPolarHBondContact CE-O 3.04Å
119	D	92.6	Very high	94.3	Very high	47 Å²	47	64.3 Å²	64.3	25%	0.251	33%	0.334	S	S	.	.	S	Bend	trans	-143.9	173	175.2	70.3	75.3	0	0	0	110	W85 M87 N117 E121 T122	W85-D119 HydrophobicContact CH2-CB 4.09Å; W85-D119 HydrophobicContact CZ3-CB 4.15Å; M87-D119 VanDerWaalsContact SD-C 3.56Å; M87-D119 VanDerWaalsContact SD-CA 3.52Å; M87-D119 PolarHBondContact SD-N 2.84Å; M87-D119 VanDerWaalsContact SD-N 3.42Å; N117-D119 WeakPolarHBondContact CB-O 3.41Å; D119-E121 PolarHBondContact OD1-N 3.35Å; D119-T122 WeakPolarHBondContact OD1-CB 3.41Å; D119-T122 PolarHBondContact OD1-N 2.94Å; D119-T122 PolarHBondContact OD1-OG1 3.07Å; D119-T122 VanDerWaalsContact OD1-OG1 3.12Å; D119-T122 VanDerWaalsContact OD2-CB 3.26Å; D119-T122 WeakPolarHBondContact OD2-CB 3.46Å; D119-T122 PolarHBondContact OD2-OG1 3Å
120	I	92.3	Very high	94.3	Very high	12 Å²	12	61.6 Å²	61.6	6%	0.062	32%	0.315	C	S	.	.	S	Bend	trans	-83.4	-15.2	-173.9	59.4	169	0	0	0	114.9	G78 R79 W85 R156	G78-I120 CarbonylContact C-O 3.42Å; G78-I120 PolarHBondContact N-O 2.8Å; R79-I120 WeakPolarHBondContact O-CB 3.26Å; W85-I120 HydrophobicContact CD2-CG2 4.19Å; W85-I120 HydrophobicContact CE3-CG2 4.19Å; W85-I120 HydrophobicContact CG-CG2 4.41Å; W85-I120 HydrophobicContact CZ2-CG1 4.47Å; I120-R156 PolarHBondContact O-NH2 2.69Å
121	E	91.4	Very high	94.1	Very high	71 Å²	71	56.8 Å²	56.8	33%	0.332	30%	0.301	S	S	.	.	S	Bend	trans	-108.8	-31.8	-170	-68.7	-52.9	150.7	0	0	114	Q77 N80 D119 P123 R156	Q77-E121 PolarHBondContact NE2-O 2.91Å; N80-E121 PolarHBondContact ND2-OE1 2.8Å; N80-E121 VanDerWaalsContact ND2-OE1 3.08Å; D119-E121 PolarHBondContact OD1-N 3.35Å; E121-P123 VanDerWaalsContact O-CD 3.26Å; E121-P123 WeakPolarHBondContact O-CD 3.47Å; E121-R156 IonicContact OE2-NH2 3.14Å
122	T	94.4	Very high	94.1	Very high	62 Å²	62	53.8 Å²	53.8	38%	0.38	29%	0.291	S	S	.	.			trans	-79.7	119.2	-172.9	-54.2	0	0	0	0	111.4	N117 D119	N117-T122 PolarHBondContact ND2-O 3.31Å; D119-T122 WeakPolarHBondContact OD1-CB 3.41Å; D119-T122 PolarHBondContact OD1-N 2.94Å; D119-T122 PolarHBondContact OD1-OG1 3.07Å; D119-T122 VanDerWaalsContact OD1-OG1 3.12Å; D119-T122 VanDerWaalsContact OD2-CB 3.26Å; D119-T122 WeakPolarHBondContact OD2-CB 3.46Å; D119-T122 PolarHBondContact OD2-OG1 3Å
123	P	97	Very high	94.1	Very high	8 Å²	8	57.1 Å²	57.1	5%	0.052	31%	0.311	C	S	.	.			trans	-66.2	136.5	171.9	-21.2	35.2	0	0	0	111.7	L34 I75 L76 E121 L307	L34-P123 HydrophobicContact CD1-CB 4.16Å; L34-P123 HydrophobicContact CD1-CG 4.34Å; I75-P123 HydrophobicContact CG2-CB 3.73Å; L76-P123 WeakPolarHBondContact O-CA 3.32Å; E121-P123 VanDerWaalsContact O-CD 3.26Å; E121-P123 WeakPolarHBondContact O-CD 3.47Å; P123-L307 HydrophobicContact CB-CD2 4Å
124	V	97.4	Very high	94.1	Very high	40 Å²	40	52.3 Å²	52.3	24%	0.242	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	115.4	179.8	178.4	0	0	0	0	110.1	I75 L76	I75-V124 VanDerWaalsContact CA-O 3.29Å; I75-V124 WeakPolarHBondContact CA-O 3.38Å; L76-V124 PolarHBondContact N-O 2.92Å; L76-V124 PolarHBondContact O-N 3.06Å
125	L	97.2	Very high	94	Very high	72 Å²	72	55.6 Å²	55.6	38%	0.377	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	132.6	175.9	175	62.7	0	0	0	111.2	I75 L127 L160 L307	I75-L125 HydrophobicContact CD1-CD1 4.32Å; I75-L125 HydrophobicContact CG1-CB 4.38Å; I75-L125 HydrophobicContact CG1-CD1 3.73Å; L125-L127 HydrophobicContact CD1-CD2 4.08Å; L125-L127 HydrophobicContact CD1-CG 4.48Å; L125-L127 HydrophobicContact CD2-CD2 4.34Å; L125-L127 HydrophobicContact CD2-CG 4.32Å; L125-L127 HydrophobicContact CG-CD2 4.39Å; L125-L127 HydrophobicContact CG-CG 4.32Å; L125-L160 HydrophobicContact CD1-CD1 3.6Å; L125-L307 HydrophobicContact CB-CD1 4.36Å; L125-L307 HydrophobicContact CB-CD2 4.11Å; L125-L307 HydrophobicContact CD2-CD1 4.46Å
126	S	96.3	Very high	94	Very high	11 Å²	11	50.6 Å²	50.6	8%	0.077	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	118.7	165.5	-51.5	0	0	0	0	110.1	G73 A74 Y91 E115	G73-S126 CarbonylContact C-O 3.59Å; G73-S126 WeakPolarHBondContact CA-O 3.48Å; A74-S126 PolarHBondContact N-O 3.35Å; A74-S126 PolarHBondContact O-N 3.08Å; Y91-S126 WeakPolarHBondContact OH-CB 3.31Å; Y91-S126 PolarHBondContact OH-OG 3.37Å; E115-S126 PolarHBondContact O-OG 3.25Å
127	L	95.7	Very high	94.2	Very high	101 Å²	101	50.3 Å²	50.3	53%	0.529	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	144.3	173.2	-65	175.1	0	0	0	110.3	L125 L160	L125-L127 HydrophobicContact CD1-CD2 4.08Å; L125-L127 HydrophobicContact CD1-CG 4.48Å; L125-L127 HydrophobicContact CD2-CD2 4.34Å; L125-L127 HydrophobicContact CD2-CG 4.32Å; L125-L127 HydrophobicContact CG-CD2 4.39Å; L125-L127 HydrophobicContact CG-CG 4.32Å; L127-L160 HydrophobicContact CD2-CD1 4.44Å
128	F	94.7	Very high	94.3	Very high	9 Å²	9	51.9 Å²	51.9	4%	0.039	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	117	179.1	-54.7	-26.5	0	0	0	110	F71 T72 G73 A74 V93 F95 F114 S130 P131 I137	F71-F128 HydrophobicContact CB-CD2 4.39Å; F71-F128 HydrophobicContact CB-CE2 4.17Å; T72-F128 PolarHBondContact O-N 3.38Å; G73-F128 VanDerWaalsContact C-CZ 3.43Å; A74-F128 HydrophobicContact CB-CE1 4.32Å; A74-F128 HydrophobicContact CB-CZ 3.95Å; V93-F128 HydrophobicContact CB-CE1 4.45Å; V93-F128 HydrophobicContact CB-CZ 4.38Å; V93-F128 HydrophobicContact CG1-CE1 4.5Å; V93-F128 HydrophobicContact CG1-CE2 4.32Å; V93-F128 HydrophobicContact CG1-CZ 3.97Å; V93-F128 HydrophobicContact CG2-CE1 3.87Å; V93-F128 HydrophobicContact CG2-CZ 3.93Å; F95-F128 HydrophobicContact CE1-CE2 4.18Å; F95-F128 AromaticContact CZ-CD2 3.83Å; F95-F128 HydrophobicContact CZ-CD2 3.83Å; F95-F128 AromaticContact CZ-CE2 3.76Å; F95-F128 HydrophobicContact CZ-CE2 3.76Å; F114-F128 AromaticContact CE1-CD1 3.78Å; F114-F128 HydrophobicContact CE1-CD1 3.78Å; F114-F128 HydrophobicContact CE1-CE1 4.33Å; F114-F128 HydrophobicContact CE2-CD1 4.09Å; F114-F128 HydrophobicContact CE2-CE1 4.13Å; F114-F128 AromaticContact CZ-CD1 3.44Å; F114-F128 HydrophobicContact CZ-CD1 3.44Å; F114-F128 VanDerWaalsContact CZ-CD1 3.44Å; F114-F128 AromaticContact CZ-CE1 3.93Å; F114-F128 HydrophobicContact CZ-CE1 3.93Å; F114-F128 HydrophobicContact CZ-CG 4.43Å; F128-S130 PolarHBondContact O-N 2.74Å; F128-P131 WeakPolarHBondContact O-CD 3.2Å; F128-I137 HydrophobicContact CE2-CD1 3.98Å; F128-I137 HydrophobicContact CZ-CD1 4.08Å
129	D	88.1	Confident	94.6	Very high	105 Å²	105	43.7 Å²	43.7	56%	0.561	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-57.7	-33.4	178.1	-66.2	-34.1	0	0	0	112.5	N107 P131	N107-D129 VanDerWaalsContact CG-OD2 3.23Å; N107-D129 PolarHBondContact ND2-OD2 2.75Å; D129-P131 WeakPolarHBondContact O-CD 3.35Å
130	S	87.3	Confident	94.9	Very high	62 Å²	62	42 Å²	42	43%	0.434	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	89.1	174.1	-64.7	0	0	0	0	109.9	F128 A132	F128-S130 PolarHBondContact O-N 2.74Å; S130-A132 PolarHBondContact O-N 3.46Å
131	P	88.6	Confident	95.1	Very high	68 Å²	68	41.4 Å²	41.4	44%	0.442	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	135.6	175	-26.7	35.4	0	0	0	111.4	R70 F71 T72 F128 D129	R70-P131 HydrophobicContact CG-CB 4.26Å; F71-P131 WeakPolarHBondContact O-CA 3.32Å; F71-P131 WeakPolarHBondContact O-CB 3.47Å; T72-P131 HydrophobicContact CG2-CB 4.28Å; F128-P131 WeakPolarHBondContact O-CD 3.2Å; D129-P131 WeakPolarHBondContact O-CD 3.35Å
132	A	93	Very high	95.4	Very high	23 Å²	23	39.5 Å²	39.5	19%	0.19	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.9	-177.5	0	0	0	0	0	110.9	R70 F71 F95 S130	R70-A132 WeakPolarHBondContact CA-O 3.43Å; F71-A132 PolarHBondContact N-O 3.04Å; F71-A132 PolarHBondContact O-N 3.08Å; F95-A132 HydrophobicContact CB-CB 4.45Å; F95-A132 HydrophobicContact CD1-CB 4.12Å; F95-A132 HydrophobicContact CD2-CB 3.39Å; F95-A132 HydrophobicContact CE1-CB 4.19Å; F95-A132 HydrophobicContact CE2-CB 3.47Å; F95-A132 VanDerWaalsContact CE2-CB 3.47Å; F95-A132 HydrophobicContact CG-CB 3.73Å; F95-A132 HydrophobicContact CZ-CB 3.89Å; S130-A132 PolarHBondContact O-N 3.46Å
133	V	95.3	Very high	95.5	Very high	75 Å²	75	39.1 Å²	39.1	46%	0.455	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	115.5	170.8	177.9	0	0	0	0	108.6	T69 R70 L164	T69-V133 WeakPolarHBondContact O-CA 3.05Å; R70-V133 HydrophobicContact CB-CG2 4.15Å; R70-V133 HydrophobicContact CG-CG2 4.19Å; V133-L164 HydrophobicContact CB-CD1 4.32Å; V133-L164 HydrophobicContact CG1-CD1 3.47Å; V133-L164 VanDerWaalsContact CG1-CD1 3.47Å; V133-L164 HydrophobicContact CG2-CD1 3.84Å
134	A	96	Very high	95.5	Very high	3 Å²	3	39.9 Å²	39.9	3%	0.025	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	172.5	178.5	0	0	0	0	0	111.8	T69 F71 F95 N97	T69-A134 PolarHBondContact N-O 3.47Å; T69-A134 PolarHBondContact O-N 2.94Å; F71-A134 HydrophobicContact CD2-CB 4.26Å; F71-A134 HydrophobicContact CE2-CB 3.99Å; F71-A134 WeakPolarHBondContact CE2-O 3.26Å; F95-A134 HydrophobicContact CB-CB 3.74Å; F95-A134 HydrophobicContact CD1-CB 4.38Å; F95-A134 HydrophobicContact CG-CB 4.43Å; N97-A134 WeakPolarHBondContact OD1-CA 3.37Å
135	R	95.5	Very high	95.3	Very high	86 Å²	86	41.5 Å²	41.5	33%	0.325	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-38.3	169.8	176.6	174.2	168.6	178.5	-3.4	112.3	D64 A65 S96 N97	D64-R135 WeakPolarHBondContact OD1-CG 3.38Å; D64-R135 IonicContact OD1-CZ 2.91Å; D64-R135 IonicContact OD1-NE 2.97Å; D64-R135 PolarHBondContact OD1-NE 3.26Å; D64-R135 IonicContact OD1-NH2 3.38Å; D64-R135 IonicContact OD2-CZ 2.85Å; D64-R135 IonicContact OD2-NE 3.44Å; D64-R135 IonicContact OD2-NH2 3.63Å; D64-R135 PolarHBondContact OD2-NH2 3.29Å; A65-R135 WeakPolarHBondContact CB-O 3.47Å; A65-R135 PolarHBondContact N-O 3.3Å; S96-R135 PolarHBondContact O-N 2.93Å; N97-R135 PolarHBondContact OD1-N 3.14Å; N97-R135 VanDerWaalsContact OD1-N 3.13Å
136	Y	98.2	Very high	94.8	Very high	25 Å²	25	43.5 Å²	43.5	10%	0.098	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.7	-175.3	-56.5	-88.4	0	0	0	110.8	V63 D64 F95 S96 T99	V63-Y136 WeakPolarHBondContact O-CA 3.48Å; D64-Y136 HydrophobicContact CB-CD1 3.78Å; D64-Y136 HydrophobicContact CB-CE1 3.56Å; D64-Y136 WeakPolarHBondContact OD1-CE1 3.32Å; D64-Y136 WeakPolarHBondContact OD2-CE1 3.3Å; F95-Y136 WeakPolarHBondContact CA-O 3.45Å; S96-Y136 PolarHBondContact N-O 2.96Å; S96-Y136 WeakPolarHBondContact O-CD2 3.42Å; S96-Y136 PolarHBondContact O-N 3.43Å; T99-Y136 HydrophobicContact CG2-CD1 3.84Å; T99-Y136 HydrophobicContact CG2-CD2 3.73Å; T99-Y136 HydrophobicContact CG2-CE1 3.62Å; T99-Y136 HydrophobicContact CG2-CE2 3.51Å; T99-Y136 HydrophobicContact CG2-CG 3.9Å; T99-Y136 VanDerWaalsContact CG2-CZ 3.46Å
137	I	98.4	Very high	94.1	Very high	1 Å²	1	48 Å²	48	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.4	171.5	-175.8	177.1	0	0	0	109.2	E62 V63 F71 V93 Q94 F95 F128 V159	E62-I137 VanDerWaalsContact CA-O 3.3Å; E62-I137 WeakPolarHBondContact CA-O 3.49Å; V63-I137 HydrophobicContact CB-CG2 3.74Å; V63-I137 HydrophobicContact CG2-CG2 4.3Å; V63-I137 PolarHBondContact N-O 2.7Å; V63-I137 PolarHBondContact O-N 2.04Å; V63-I137 VanDerWaalsContact O-N 3.15Å; F71-I137 HydrophobicContact CD1-CB 4.24Å; F71-I137 HydrophobicContact CD1-CD1 4.05Å; F71-I137 HydrophobicContact CD1-CG2 4.21Å; F71-I137 HydrophobicContact CD2-CB 4.49Å; F71-I137 HydrophobicContact CE1-CB 3.93Å; F71-I137 HydrophobicContact CE1-CD1 4.5Å; F71-I137 HydrophobicContact CE1-CG2 3.62Å; F71-I137 HydrophobicContact CE2-CB 4.2Å; F71-I137 HydrophobicContact CG-CD1 4.3Å; F71-I137 HydrophobicContact CZ-CB 3.91Å; F71-I137 HydrophobicContact CZ-CG2 3.88Å; V93-I137 HydrophobicContact CG1-CD1 3.79Å; V93-I137 HydrophobicContact CG1-CG1 3.66Å; Q94-I137 CarbonylContact O-C 3.49Å; Q94-I137 WeakPolarHBondContact O-CA 3.26Å; F95-I137 HydrophobicContact CD1-CB 4.13Å; F95-I137 HydrophobicContact CD1-CD1 4.48Å; F95-I137 HydrophobicContact CD1-CG1 4Å; F95-I137 HydrophobicContact CE1-CB 4.2Å; F95-I137 HydrophobicContact CE1-CD1 3.72Å; F95-I137 HydrophobicContact CE1-CG1 3.69Å; F95-I137 HydrophobicContact CZ-CD1 4.45Å; F128-I137 HydrophobicContact CE2-CD1 3.98Å; F128-I137 HydrophobicContact CZ-CD1 4.08Å; I137-V159 HydrophobicContact CD1-CG1 4Å; I137-V159 HydrophobicContact CG2-CG1 4.21Å; I137-V159 HydrophobicContact CG2-CG2 4.28Å
138	R	98.3	Very high	93.1	Very high	35 Å²	35	46.2 Å²	46.2	13%	0.132	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.8	170.4	-85.1	176.6	-174.3	174.6	6	110.6	W60 L61 E62 V93 Q94 W102 N140	W60-R138 HydrophobicContact CB-CB 4.38Å; W60-R138 HydrophobicContact CB-CG 4.24Å; W60-R138 HydrophobicContact CD2-CG 4.25Å; W60-R138 HydrophobicContact CE3-CG 4.1Å; W60-R138 HydrophobicContact CG-CG 4.33Å; L61-R138 CarbonylContact O-C 3.51Å; L61-R138 VanDerWaalsContact O-CA 3.3Å; L61-R138 WeakPolarHBondContact O-CA 3.29Å; E62-R138 HydrophobicContact CB-CG 3.83Å; E62-R138 HydrophobicContact CG-CG 4.08Å; E62-R138 IonicContact OE2-CZ 3.44Å; E62-R138 IonicContact OE2-NE 3.81Å; E62-R138 PolarHBondContact OE2-NE 3.22Å; E62-R138 IonicContact OE2-NH2 3.6Å; E62-R138 PolarHBondContact OE2-NH2 2.9Å; V93-R138 VanDerWaalsContact CA-O 3.27Å; V93-R138 WeakPolarHBondContact CA-O 3.46Å; Q94-R138 HydrophobicContact CB-CB 4.34Å; Q94-R138 PolarHBondContact N-O 3.18Å; Q94-R138 PolarHBondContact O-N 3.13Å; W102-R138 HydrophobicContact CE3-CB 4.23Å; W102-R138 HydrophobicContact CE3-CG 4.07Å; W102-R138 HydrophobicContact CH2-CB 4.37Å; W102-R138 HydrophobicContact CH2-CG 3.51Å; W102-R138 VanDerWaalsContact CH2-NE 3.32Å; W102-R138 HydrophobicContact CZ2-CG 4.22Å; W102-R138 VanDerWaalsContact CZ2-NH2 3.29Å; W102-R138 HydrophobicContact CZ3-CB 3.79Å; W102-R138 HydrophobicContact CZ3-CG 3.44Å; W102-R138 VanDerWaalsContact CZ3-CG 3.44Å; R138-N140 PolarHBondContact O-OD1 3.45Å
139	I	98.6	Very high	91.6	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	118.2	167.8	-61.1	173.5	0	0	0	106.7	W60 L61 A74 L76 Y91 P141 L155 A157	W60-I139 VanDerWaalsContact CA-O 3.22Å; W60-I139 WeakPolarHBondContact CA-O 3.25Å; L61-I139 PolarHBondContact N-O 3.42Å; L61-I139 PolarHBondContact O-N 3.01Å; A74-I139 HydrophobicContact CB-CD1 4.45Å; L76-I139 HydrophobicContact CD1-CD1 4.2Å; L76-I139 HydrophobicContact CD1-CG2 4.45Å; L76-I139 HydrophobicContact CD2-CG2 4.3Å; Y91-I139 HydrophobicContact CD2-CG2 3.68Å; Y91-I139 HydrophobicContact CE2-CG2 4.25Å; Y91-I139 HydrophobicContact CG-CG2 4.17Å; I139-P141 WeakPolarHBondContact O-CD 3.44Å; I139-L155 HydrophobicContact CG2-CD2 3.88Å; I139-A157 HydrophobicContact CD1-CB 3.71Å
140	N	98.4	Very high	90.8	Very high	12 Å²	12	54 Å²	54	6%	0.064	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	97.5	-172.8	-60.6	89	0	0	0	110.8	Y91 K92 Q94 R138 Q142	Y91-N140 CarbonylContact C-O 3.58Å; Y91-N140 WeakPolarHBondContact CA-O 3.44Å; K92-N140 HydrophobicContact CB-CB 4.32Å; K92-N140 PolarHBondContact N-O 2.73Å; K92-N140 PolarHBondContact O-N 3.21Å; Q94-N140 WeakPolarHBondContact CG-OD1 3.13Å; R138-N140 PolarHBondContact O-OD1 3.45Å; N140-Q142 PolarHBondContact O-N 3.45Å; N140-Q142 PolarHBondContact O-NE2 3.01Å
141	P	98.3	Very high	90.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	135.8	179.1	-28.7	39.8	0	0	0	113	W50 Q59 V88 I139 I153 L155	W50-P141 HydrophobicContact CH2-CG 4.41Å; W50-P141 HydrophobicContact CZ3-CG 4.24Å; Q59-P141 WeakPolarHBondContact O-CD 3.25Å; V88-P141 HydrophobicContact CG1-CB 3.96Å; V88-P141 HydrophobicContact CG1-CG 4.37Å; V88-P141 HydrophobicContact CG2-CB 3.81Å; V88-P141 HydrophobicContact CG2-CG 3.9Å; I139-P141 WeakPolarHBondContact O-CD 3.44Å; P141-I153 HydrophobicContact CB-CG2 3.57Å; P141-I153 HydrophobicContact CG-CG2 3.49Å; P141-I153 VanDerWaalsContact CG-CG2 3.49Å; P141-L155 HydrophobicContact CG-CD2 3.86Å
142	Q	97.6	Very high	90.7	Very high	30 Å²	30	49.3 Å²	49.3	14%	0.14	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-42.2	-179.9	-61.5	-54	-67.1	0	0	112.2	K57 T90 K92 N140	K57-Q142 VanDerWaalsContact CE-O 3.31Å; K57-Q142 WeakPolarHBondContact CE-O 3.17Å; T90-Q142 PolarHBondContact O-N 3.2Å; K92-Q142 HydrophobicContact CB-CG 4.42Å; K92-Q142 HydrophobicContact CD-CG 4.14Å; K92-Q142 HydrophobicContact CG-CG 3.75Å; N140-Q142 PolarHBondContact O-N 3.45Å; N140-Q142 PolarHBondContact O-NE2 3.01Å
143	T	96.7	Very high	90.9	Very high	55 Å²	55	48.3 Å²	48.3	34%	0.337	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152.4	170.9	65.6	0	0	0	0	109.7	Q89 T90	Q89-T143 PolarHBondContact N-O 3.27Å; T90-T143 WeakPolarHBondContact CB-OG1 3.43Å; T90-T143 WeakPolarHBondContact CG2-OG1 3.36Å; T90-T143 PolarHBondContact N-O 2.94Å; T90-T143 PolarHBondContact N-OG1 3.04Å; T90-T143 PolarHBondContact O-N 2.94Å; T90-T143 WeakPolarHBondContact OG1-CB 3.3Å; T90-T143 PolarHBondContact OG1-N 3.1Å; T90-T143 PolarHBondContact OG1-OG1 3.01Å
144	W	95.8	Very high	91	Very high	24 Å²	24	44.7 Å²	44.7	9%	0.091	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	161.1	-179.5	55.1	96.5	0	0	0	108.7	K55 M87 V88 Q146 I153	K55-W144 HydrophobicContact CB-CZ2 3.99Å; M87-W144 CarbonylContact O-C 3.55Å; M87-W144 VanDerWaalsContact O-CA 3.29Å; M87-W144 WeakPolarHBondContact O-CA 3.42Å; M87-W144 WeakPolarHBondContact O-CB 3.22Å; V88-W144 HydrophobicContact CG2-CB 4.49Å; W144-Q146 PolarHBondContact O-N 3.31Å; W144-I153 HydrophobicContact CB-CG1 4.47Å; W144-I153 HydrophobicContact CD2-CD1 4.09Å; W144-I153 HydrophobicContact CD2-CG1 3.43Å; W144-I153 VanDerWaalsContact CD2-CG1 3.43Å; W144-I153 HydrophobicContact CE3-CD1 3.77Å; W144-I153 HydrophobicContact CE3-CG1 3.54Å; W144-I153 HydrophobicContact CG-CG1 3.86Å; W144-I153 HydrophobicContact CH2-CD1 3.82Å; W144-I153 HydrophobicContact CH2-CG1 4.23Å; W144-I153 HydrophobicContact CZ2-CD1 4.13Å; W144-I153 HydrophobicContact CZ2-CG1 4.14Å; W144-I153 HydrophobicContact CZ3-CD1 3.63Å; W144-I153 HydrophobicContact CZ3-CG1 3.95Å
145	Y	93.2	Very high	91.1	Very high	73 Å²	73	44.6 Å²	44.6	29%	0.286	24%	0.237	S	C	.	.			trans	-59.4	134.8	177.3	178.5	-100.7	0	0	0	110.9	W85 M87 N147	W85-Y145 HydrophobicContact CB-CE1 4.29Å; W85-Y145 WeakPolarHBondContact O-CD1 3.38Å; M87-Y145 HydrophobicContact CE-CD2 3.56Å; M87-Y145 HydrophobicContact CE-CE2 4.36Å; M87-Y145 HydrophobicContact CE-CG 3.73Å; M87-Y145 PolarHBondContact O-N 3.1Å; Y145-N147 HydrophobicContact CE1-CB 4.02Å
146	Q	87.4	Confident	91.2	Very high	115 Å²	115	40.5 Å²	40.5	54%	0.537	22%	0.221	S	C	.	.			trans	-135.6	124.2	176.9	-67.8	-179.3	-6.6	0	0	108.5	W144 E150	W144-Q146 PolarHBondContact O-N 3.31Å; Q146-E150 CarbonylContact C-O 3.57Å; Q146-E150 WeakPolarHBondContact CA-O 3.28Å
147	N	80.4	Confident	91.2	Very high	104 Å²	104	39.3 Å²	39.3	56%	0.556	22%	0.216	S	C	*	.	B	Isolated β-bridge	trans	-105.7	90.8	165.8	-171.1	13.9	0	0	0	108	Y145 T149 E150	Y145-N147 HydrophobicContact CE1-CB 4.02Å; N147-T149 PolarHBondContact O-N 3.35Å; N147-E150 PolarHBondContact N-O 3.05Å; N147-E150 PolarHBondContact O-N 2.99Å
148	G	76.3	Confident	91.2	Very high	64 Å²	64	39.4 Å²	39.4	66%	0.66	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.6	-120.6	-168.2	0	0	0	0	0	111.6
149	T	61.8	Low	91.2	Very high	137 Å²	137	37.7 Å²	37.7	84%	0.84	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-2.7	174.4	52.1	0	0	0	0	113.7	N147	N147-T149 PolarHBondContact O-N 3.35Å
150	E	71.8	Confident	91.1	Very high	141 Å²	141	38.5 Å²	38.5	66%	0.659	22%	0.215	S	C	*	.	B	Isolated β-bridge	trans	-92.8	138.8	-178.4	-61.5	179.5	175.5	0	0	109.7	Q146 N147	Q146-E150 CarbonylContact C-O 3.57Å; Q146-E150 WeakPolarHBondContact CA-O 3.28Å; N147-E150 PolarHBondContact N-O 3.05Å; N147-E150 PolarHBondContact O-N 2.99Å
151	G	81.8	Confident	91	Very high	11 Å²	11	38.1 Å²	38.1	11%	0.113	21%	0.213	C	C	.	.			trans	133.1	130.4	-175.4	0	0	0	0	0	112.4	K55	K55-G151 WeakPolarHBondContact CE-O 3.44Å; K55-G151 PolarHBondContact NZ-O 3.4Å
152	D	92.8	Very high	90.7	Very high	21 Å²	21	39.8 Å²	39.8	11%	0.112	23%	0.225	C	C	.	.			trans	-114.7	156.9	-177.3	-64.4	-46.1	0	0	0	112.6	K23 K55 D86 C154	K23-D152 VanDerWaalsContact CE-CG 3.49Å; K23-D152 WeakPolarHBondContact CE-OD1 3.23Å; K23-D152 WeakPolarHBondContact CE-OD2 3.39Å; K23-D152 IonicContact NZ-OD1 3.51Å; K23-D152 PolarHBondContact NZ-OD1 3.21Å; K23-D152 IonicContact NZ-OD2 2.81Å; K23-D152 PolarHBondContact NZ-OD2 2.86Å; K55-D152 WeakPolarHBondContact CE-OD1 3.39Å; K55-D152 IonicContact NZ-OD1 3.54Å; K55-D152 PolarHBondContact NZ-OD1 2.82Å; D86-D152 PolarHBondContact OD1-N 3.26Å; D152-C154 PolarHBondContact O-N 2.82Å; D152-C154 VanDerWaalsContact O-N 3.08Å
153	I	97	Very high	90.3	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	24%	0.244	C	C	.	.			trans	-77.6	96	170.9	-61.2	173.7	0	0	0	107	C51 A52 D56 Q59 V88 P141 W144	C51-I153 CarbonylContact C-O 3.29Å; C51-I153 WeakPolarHBondContact CA-O 3.15Å; A52-I153 HydrophobicContact CB-CB 4.04Å; A52-I153 HydrophobicContact CB-CG2 4.22Å; A52-I153 PolarHBondContact N-O 2.9Å; D56-I153 VanDerWaalsContact O-CD1 3.3Å; D56-I153 WeakPolarHBondContact O-CD1 3.46Å; Q59-I153 HydrophobicContact CB-CD1 4.32Å; Q59-I153 HydrophobicContact CG-CD1 3.96Å; V88-I153 HydrophobicContact CG2-CG2 3.99Å; P141-I153 HydrophobicContact CB-CG2 3.57Å; P141-I153 HydrophobicContact CG-CG2 3.49Å; P141-I153 VanDerWaalsContact CG-CG2 3.49Å; W144-I153 HydrophobicContact CB-CG1 4.47Å; W144-I153 HydrophobicContact CD2-CD1 4.09Å; W144-I153 HydrophobicContact CD2-CG1 3.43Å; W144-I153 VanDerWaalsContact CD2-CG1 3.43Å; W144-I153 HydrophobicContact CE3-CD1 3.77Å; W144-I153 HydrophobicContact CE3-CG1 3.54Å; W144-I153 HydrophobicContact CG-CG1 3.86Å; W144-I153 HydrophobicContact CH2-CD1 3.82Å; W144-I153 HydrophobicContact CH2-CG1 4.23Å; W144-I153 HydrophobicContact CZ2-CD1 4.13Å; W144-I153 HydrophobicContact CZ2-CG1 4.14Å; W144-I153 HydrophobicContact CZ3-CD1 3.63Å; W144-I153 HydrophobicContact CZ3-CG1 3.95Å
154	C	97.1	Very high	89.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.3	177	-57.5	0	0	0	0	111.2	A49 W50 C51 R79 D86 V88 D152	A49-C154 HydrophobicContact CB-CB 4.27Å; W50-C154 VanDerWaalsContact O-CA 3.23Å; W50-C154 WeakPolarHBondContact O-CA 3.18Å; C51-C154 HydrophobicContact CB-CB 4.11Å; C51-C154 WeakPolarHBondContact CB-SG 3.19Å; C51-C154 WeakPolarHBondContact SG-CB 3.18Å; C51-C154 CovalentContact SG-SG 2.01Å; C51-C154 PolarHBondContact SG-SG 3.43Å; R79-C154 HydrophobicContact CB-CB 3.95Å; D86-C154 HydrophobicContact CB-CB 3.57Å; D86-C154 WeakPolarHBondContact CB-SG 3.36Å; V88-C154 PolarHBondContact N-O 2.83Å; D152-C154 PolarHBondContact O-N 2.82Å; D152-C154 VanDerWaalsContact O-N 3.08Å
155	L	97.4	Very high	89	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	153.7	171.8	66.4	86.1	0	0	0	112	W50 L61 L76 V88 I139 P141 A157	W50-L155 HydrophobicContact CE3-CD1 4.06Å; W50-L155 HydrophobicContact CE3-CD2 4.21Å; W50-L155 HydrophobicContact CE3-CG 3.74Å; W50-L155 HydrophobicContact CZ3-CD1 4.42Å; W50-L155 HydrophobicContact CZ3-CD2 3.82Å; W50-L155 HydrophobicContact CZ3-CG 3.88Å; W50-L155 PolarHBondContact N-O 2.96Å; W50-L155 PolarHBondContact O-N 3.27Å; L61-L155 HydrophobicContact CD2-CD1 3.61Å; L76-L155 HydrophobicContact CD2-CD2 4.23Å; V88-L155 HydrophobicContact CB-CB 4.45Å; V88-L155 HydrophobicContact CB-CD2 4.39Å; V88-L155 HydrophobicContact CG2-CB 4.22Å; V88-L155 HydrophobicContact CG2-CD2 3.99Å; I139-L155 HydrophobicContact CG2-CD2 3.88Å; P141-L155 HydrophobicContact CG-CD2 3.86Å; L155-A157 HydrophobicContact CD1-CB 3.98Å
156	R	98.3	Very high	87.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	145.8	162.2	-71.5	-176.2	-71.8	175.4	-0.9	107.4	R33 I36 G48 A49 L76 Q77 G78 I120 E121	R33-R156 VanDerWaalsContact O-CB 3.25Å; R33-R156 WeakPolarHBondContact O-CB 3.26Å; R33-R156 WeakPolarHBondContact O-CD 3.39Å; R33-R156 VanDerWaalsContact O-CG 3.27Å; R33-R156 WeakPolarHBondContact O-CG 3.41Å; I36-R156 HydrophobicContact CG2-CG 3.97Å; I36-R156 PolarHBondContact O-NH1 3.25Å; G48-R156 VanDerWaalsContact O-CD 3.28Å; G48-R156 WeakPolarHBondContact O-CD 3.42Å; A49-R156 HydrophobicContact CB-CG 4.1Å; L76-R156 WeakPolarHBondContact CA-O 3.34Å; Q77-R156 HydrophobicContact CB-CB 4.04Å; Q77-R156 PolarHBondContact N-O 2.96Å; Q77-R156 PolarHBondContact O-N 3.08Å; G78-R156 VanDerWaalsContact O-CZ 3.27Å; G78-R156 PolarHBondContact O-NE 2.97Å; G78-R156 PolarHBondContact O-NH2 3.43Å; G78-R156 VanDerWaalsContact O-NH2 3.07Å; I120-R156 PolarHBondContact O-NH2 2.69Å; E121-R156 IonicContact OE2-NH2 3.14Å
157	A	98.2	Very high	86.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155.4	-176.9	0	0	0	0	0	114.2	L7 G32 R33 L34 L61 I75 I139 L155	L7-A157 WeakPolarHBondContact CB-O 3.35Å; L7-A157 HydrophobicContact CD2-CB 4.47Å; L7-A157 WeakPolarHBondContact CD2-O 3.39Å; G32-A157 PolarHBondContact O-N 3.31Å; R33-A157 CarbonylContact C-O 3.49Å; L34-A157 PolarHBondContact N-O 2.83Å; L61-A157 HydrophobicContact CD2-CB 4.38Å; I75-A157 CarbonylContact O-C 3.6Å; I75-A157 WeakPolarHBondContact O-CA 3.48Å; I139-A157 HydrophobicContact CD1-CB 3.71Å; L155-A157 HydrophobicContact CD1-CB 3.98Å
158	E	98.1	Very high	86	Confident	3 Å²	3	48 Å²	48	1%	0.014	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151	159.2	-178	56.6	-97.4	0	0	108.5	P4 L5 G6 L7 E8 L34 A74 I75	P4-E158 HydrophobicContact CB-CG 3.57Å; L5-E158 PolarHBondContact N-OE1 3.45Å; G6-E158 PolarHBondContact N-OE1 2.88Å; L7-E158 WeakPolarHBondContact CA-OE2 3.28Å; L7-E158 WeakPolarHBondContact CD1-OE1 3.44Å; L7-E158 PolarHBondContact N-OE1 2.93Å; L7-E158 PolarHBondContact N-OE2 3.05Å; E8-E158 PolarHBondContact N-OE2 3.45Å; E8-E158 VanDerWaalsContact N-OE2 3.08Å; L34-E158 HydrophobicContact CB-CB 3.91Å; L34-E158 HydrophobicContact CD2-CB 3.74Å; L34-E158 HydrophobicContact CG-CB 4.41Å; A74-E158 CarbonylContact C-O 3.16Å; A74-E158 WeakPolarHBondContact CA-O 3.23Å; I75-E158 HydrophobicContact CB-CB 4.26Å; I75-E158 PolarHBondContact N-O 2.8Å; I75-E158 PolarHBondContact O-N 3Å
159	V	97.8	Very high	85.3	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.9	-178	175.8	0	0	0	0	109.2	P4 L5 L7 V63 F71 I137	P4-V159 CarbonylContact C-O 3.36Å; P4-V159 WeakPolarHBondContact CA-O 3.49Å; L5-V159 HydrophobicContact CD1-CB 4.05Å; L5-V159 HydrophobicContact CD1-CG1 3.78Å; L5-V159 HydrophobicContact CG-CB 4.31Å; L5-V159 HydrophobicContact CG-CG1 4.25Å; L5-V159 WeakPolarHBondContact CG-O 3.47Å; L5-V159 PolarHBondContact N-O 3.28Å; L7-V159 HydrophobicContact CD1-CB 4.46Å; L7-V159 HydrophobicContact CD1-CG2 4.46Å; V63-V159 HydrophobicContact CG2-CG2 4.09Å; F71-V159 HydrophobicContact CD1-CG1 3.54Å; F71-V159 HydrophobicContact CE1-CG1 3.78Å; I137-V159 HydrophobicContact CD1-CG1 4Å; I137-V159 HydrophobicContact CG2-CG1 4.21Å; I137-V159 HydrophobicContact CG2-CG2 4.28Å
160	L	97.4	Very high	85.1	Confident	18 Å²	18	46.5 Å²	46.5	9%	0.094	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.2	177.9	-54.4	-177.3	0	0	0	110.4	P3 P4 T72 G73 I75 L125 L127	P3-L160 WeakPolarHBondContact O-CA 3.35Å; P4-L160 HydrophobicContact CB-CD2 4.14Å; T72-L160 PolarHBondContact N-O 3.12Å; T72-L160 PolarHBondContact OG1-O 2.91Å; G73-L160 PolarHBondContact N-O 2.85Å; G73-L160 PolarHBondContact O-N 2.96Å; I75-L160 HydrophobicContact CD1-CD2 4.29Å; L125-L160 HydrophobicContact CD1-CD1 3.6Å; L127-L160 HydrophobicContact CD2-CD1 4.44Å
161	G	95.5	Very high	84.3	Confident	3 Å²	3	46.9 Å²	46.9	3%	0.031	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	145.9	-176.9	0	0	0	0	0	115.1	C2 P3 R70	C2-G161 VanDerWaalsContact CB-C 3.43Å; P3-G161 PolarHBondContact O-N 3.11Å; R70-G161 VanDerWaalsContact O-CA 3.25Å; R70-G161 WeakPolarHBondContact O-CA 3.27Å
162	C	92.5	Very high	82.7	Confident	36 Å²	36	48.8 Å²	48.8	24%	0.243	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	120.3	174.2	-64.1	0	0	0	0	109.2	C2 T69 R70 L164	C2-C162 WeakPolarHBondContact CA-SG 3.5Å; C2-C162 HydrophobicContact CB-CB 4.06Å; C2-C162 WeakPolarHBondContact CB-SG 3.27Å; C2-C162 WeakPolarHBondContact SG-CB 3.39Å; C2-C162 PolarHBondContact SG-N 3.39Å; C2-C162 CovalentContact SG-SG 2.03Å; C2-C162 PolarHBondContact SG-SG 2.8Å; T69-C162 CarbonylContact C-O 3.47Å; T69-C162 WeakPolarHBondContact CA-O 3.36Å; R70-C162 PolarHBondContact N-O 2.98Å; R70-C162 PolarHBondContact O-N 2.82Å; C162-L164 PolarHBondContact O-N 2.69Å
163	T	89.3	Confident	80.5	Confident	87 Å²	87	59.2 Å²	59.2	53%	0.534	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	135.9	171.4	45.9	0	0	0	0	109.8
164	L	87	Confident	78	Confident	63 Å²	63	66.5 Å²	66.5	33%	0.33	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-96.5	143.1	174.5	-62.8	179.4	0	0	0	109.6	L68 V133 C162 D166	L68-L164 PolarHBondContact O-N 3.02Å; V133-L164 HydrophobicContact CB-CD1 4.32Å; V133-L164 HydrophobicContact CG1-CD1 3.47Å; V133-L164 VanDerWaalsContact CG1-CD1 3.47Å; V133-L164 HydrophobicContact CG2-CD1 3.84Å; C162-L164 PolarHBondContact O-N 2.69Å; L164-D166 PolarHBondContact O-N 2.71Å
165	P	77.3	Confident	75.7	Confident	117 Å²	117	69.3 Å²	69.3	76%	0.76	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-62.5	129.5	172.2	24.6	-31.2	0	0	0	109.4	P167	P165-P167 WeakPolarHBondContact O-CD 3.47Å
166	D	68.1	Low	73.4	Confident	80 Å²	80	76.4 Å²	76.4	43%	0.428	41%	0.411	S	S	.	.			trans	-81	114.9	173.6	177.5	-1.5	0	0	0	108.7	L164 S168 N169	L164-D166 PolarHBondContact O-N 2.71Å; D166-S168 PolarHBondContact O-N 3.31Å; D166-S168 VanDerWaalsContact O-N 3.11Å; D166-S168 WeakPolarHBondContact OD1-CB 3.09Å; D166-S168 PolarHBondContact OD1-N 2.94Å; D166-S168 PolarHBondContact OD1-OG 3.35Å; D166-N169 HydrophobicContact CB-CB 3.74Å; D166-N169 PolarHBondContact O-N 2.87Å
167	P	63.5	Low	71.1	Confident	133 Å²	133	80.9 Å²	80.9	86%	0.864	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.1	-179.6	-16.3	28.9	0	0	0	113.4	P165	P165-P167 WeakPolarHBondContact O-CD 3.47Å
168	S	66.4	Low	69.1	Low	92 Å²	92	85.6 Å²	85.6	64%	0.643	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-7.5	-179.9	5.5	0	0	0	0	113.2	D166 V170	D166-S168 PolarHBondContact O-N 3.31Å; D166-S168 VanDerWaalsContact O-N 3.11Å; D166-S168 WeakPolarHBondContact OD1-CB 3.09Å; D166-S168 PolarHBondContact OD1-N 2.94Å; D166-S168 PolarHBondContact OD1-OG 3.35Å; S168-V170 PolarHBondContact O-N 3.38Å
169	N	62.9	Low	67.6	Low	50 Å²	50	93.9 Å²	93.9	27%	0.267	51%	0.508	S	S	.	.			trans	-82.8	100.1	-177.8	-175.9	9.5	0	0	0	111.1	D166 Y171 A172	D166-N169 HydrophobicContact CB-CB 3.74Å; D166-N169 PolarHBondContact O-N 2.87Å; N169-Y171 PolarHBondContact O-N 3.17Å; N169-Y171 VanDerWaalsContact O-N 3.15Å; N169-Y171 PolarHBondContact OD1-N 2.85Å; N169-A172 PolarHBondContact O-N 3.15Å
170	V	57	Low	66.7	Low	120 Å²	120	94.7 Å²	94.7	73%	0.727	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.5	177.2	-166.5	0	0	0	0	112.4	S168	S168-V170 PolarHBondContact O-N 3.38Å
171	Y	54.6	Low	65.9	Low	150 Å²	150	104.8 Å²	104.8	59%	0.588	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	31.8	-179.4	-57.2	-76.6	0	0	0	113.7	N169 W173 Q174	N169-Y171 PolarHBondContact O-N 3.17Å; N169-Y171 VanDerWaalsContact O-N 3.15Å; N169-Y171 PolarHBondContact OD1-N 2.85Å; Y171-W173 PolarHBondContact O-N 3.46Å; Y171-Q174 PolarHBondContact O-N 3.38Å
172	A	48.3	Very low	65.5	Low	50 Å²	50	105.4 Å²	105.4	41%	0.413	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-48.2	-32.6	177.8	0	0	0	0	0	113.8	N169 Q174 T175	N169-A172 PolarHBondContact O-N 3.15Å; A172-Q174 PolarHBondContact O-N 2.88Å; A172-Q174 VanDerWaalsContact O-N 3.17Å; A172-T175 PolarHBondContact O-N 2.82Å; A172-T175 VanDerWaalsContact O-N 3.12Å; A172-T175 PolarHBondContact O-OG1 2.94Å
173	W	46.4	Very low	65.5	Low	240 Å²	240	112.3 Å²	112.3	91%	0.909	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-60.5	-18	176.4	-40.4	96.4	0	0	0	115.6	Y171	Y171-W173 PolarHBondContact O-N 3.46Å
174	Q	45.7	Very low	65.8	Low	154 Å²	154	109.1 Å²	109.1	72%	0.72	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-94.1	-5.5	178.3	-68.9	-178.6	-18.3	0	0	113.2	Y171 A172	Y171-Q174 PolarHBondContact O-N 3.38Å; A172-Q174 PolarHBondContact O-N 2.88Å; A172-Q174 VanDerWaalsContact O-N 3.17Å
175	T	47.1	Very low	66.3	Low	60 Å²	60	109.3 Å²	109.3	37%	0.368	56%	0.559	S	S	.	*	S	Bend	trans	-119.4	-3.5	-164.1	40.2	0	0	0	0	116.3	K67 A172	K67-T175 VanDerWaalsContact NZ-CB 3.26Å; A172-T175 PolarHBondContact O-N 2.82Å; A172-T175 VanDerWaalsContact O-N 3.12Å; A172-T175 PolarHBondContact O-OG1 2.94Å
176	E	49.6	Very low	67.2	Low	148 Å²	148	106 Å²	106	69%	0.692	53%	0.533	S	S	*	.	S	Bend	trans	-67.6	145.2	165.3	-69.7	-66.2	146	0	0	109	T178	E176-T178 PolarHBondContact O-N 3.24Å; E176-T178 VanDerWaalsContact O-N 3.16Å
177	P	51.1	Low	68.5	Low	94 Å²	94	105.3 Å²	105.3	61%	0.61	53%	0.526	S	S	*	.			trans	-50.9	128.9	162.1	-11.2	24.4	0	0	0	106	E179	P177-E179 PolarHBondContact O-N 3.04Å
178	T	55.4	Low	70.2	Confident	100 Å²	100	100.1 Å²	100.1	61%	0.613	49%	0.491	S	S	*	.			trans	-58.4	95.6	169.5	32.4	0	0	0	0	106.8	E176 S180	E176-T178 PolarHBondContact O-N 3.24Å; E176-T178 VanDerWaalsContact O-N 3.16Å; T178-S180 PolarHBondContact O-N 2.99Å
179	E	65.8	Low	71.7	Confident	177 Å²	177	95.8 Å²	95.8	83%	0.827	46%	0.46	S	S	*	.			trans	-49.6	128.7	163.9	-72.9	-171.9	161.5	0	0	105.7	P177 R181	P177-E179 PolarHBondContact O-N 3.04Å; E179-R181 PolarHBondContact O-N 3.18Å
180	S	79.1	Confident	73.4	Confident	16 Å²	16	95.2 Å²	95.2	11%	0.112	46%	0.457	C	S	.	.			trans	-53.3	141.3	176	171.4	0	0	0	0	108.5	T178 D182 E496	T178-S180 PolarHBondContact O-N 2.99Å; S180-D182 PolarHBondContact O-N 3.38Å; S180-D182 PolarHBondContact OG-N 2.8Å; S180-E496 WeakPolarHBondContact CA-OE1 3.45Å; S180-E496 WeakPolarHBondContact CB-OE1 3.41Å; S180-E496 PolarHBondContact OG-OE1 3.07Å
181	R	81.1	Confident	75.3	Confident	231 Å²	231	90.5 Å²	90.5	87%	0.872	43%	0.426	S	S	*	.	S	Bend	trans	-65.2	-22.9	176.2	-66.6	-179.4	177.1	178.4	0.7	111.3	E179 E496	E179-R181 PolarHBondContact O-N 3.18Å; R181-E496 PolarHBondContact N-OE1 3.04Å
182	D	88.4	Confident	77.4	Confident	16 Å²	16	91.4 Å²	91.4	9%	0.086	43%	0.433	C	S	.	.	S	Bend	trans	-84.9	127.1	179.1	-58.7	-39.8	0	0	0	110.3	S180 L184 W495 R499	S180-D182 PolarHBondContact O-N 3.38Å; S180-D182 PolarHBondContact OG-N 2.8Å; D182-L184 VanDerWaalsContact C-N 3.32Å; D182-L184 HydrophobicContact CB-CD1 3.9Å; D182-L184 HydrophobicContact CB-CD2 4.29Å; D182-L184 HydrophobicContact CB-CG 3.76Å; D182-L184 PolarHBondContact O-N 3.31Å; D182-W495 PolarHBondContact OD2-NE1 3.24Å; D182-R499 IonicContact OD1-NH1 3.01Å; D182-R499 WeakPolarHBondContact OD2-CD 3.28Å; D182-R499 IonicContact OD2-CZ 3.93Å; D182-R499 IonicContact OD2-NE 3.95Å; D182-R499 IonicContact OD2-NH1 2.94Å; D182-R499 PolarHBondContact OD2-NH1 2.62Å
183	K	91.4	Very high	79.8	Confident	181 Å²	181	91.8 Å²	91.8	79%	0.787	43%	0.426	S	S	*	.			trans	-83.3	78.9	178.3	-64.2	-174.6	-179.9	-176.4	0	109.9	Q268	K183-Q268 PolarHBondContact O-NE2 3.48Å
184	L	95.9	Very high	82.3	Confident	20 Å²	20	80.5 Å²	80.5	11%	0.105	38%	0.384	C	S	.	.			trans	-110.2	163.6	-179.3	-50.2	-179.4	0	0	0	111.1	D182 F186 N261 Q264 W495	D182-L184 VanDerWaalsContact C-N 3.32Å; D182-L184 HydrophobicContact CB-CD1 3.9Å; D182-L184 HydrophobicContact CB-CD2 4.29Å; D182-L184 HydrophobicContact CB-CG 3.76Å; D182-L184 PolarHBondContact O-N 3.31Å; L184-F186 HydrophobicContact CB-CD2 4.43Å; L184-F186 HydrophobicContact CB-CE1 4.2Å; L184-F186 HydrophobicContact CB-CE2 3.89Å; L184-F186 HydrophobicContact CB-CZ 3.77Å; L184-F186 HydrophobicContact CD1-CE1 4.39Å; L184-F186 HydrophobicContact CD1-CZ 4.01Å; L184-F186 HydrophobicContact CG-CZ 4.17Å; L184-F186 PolarHBondContact O-N 2.9Å; L184-N261 HydrophobicContact CD1-CB 3.87Å; L184-Q264 HydrophobicContact CD2-CB 3.82Å; L184-W495 HydrophobicContact CD1-CD2 4.05Å; L184-W495 HydrophobicContact CD1-CG 4.41Å; L184-W495 HydrophobicContact CD1-CZ2 3.84Å
185	D	96.4	Very high	84.8	Confident	67 Å²	67	78.7 Å²	78.7	36%	0.358	37%	0.37	S	S	.	.			trans	-82.7	88.6	176.6	-165.9	9.5	0	0	0	109.7	K187 H189 L197 N261	D185-K187 PolarHBondContact O-N 3.49Å; D185-K187 WeakPolarHBondContact OD1-CE 3.11Å; D185-K187 VanDerWaalsContact OD2-CE 3.29Å; D185-K187 WeakPolarHBondContact OD2-CE 3.32Å; D185-K187 IonicContact OD2-NZ 3.11Å; D185-H189 PolarHBondContact O-CE1 2.98Å; D185-H189 IonicContact OD2-NE2 2.89Å; D185-H189 PolarHBondContact OD2-NE2 2.95Å; D185-L197 HydrophobicContact CB-CD1 4.22Å; D185-N261 PolarHBondContact O-ND2 3.27Å
186	F	96.8	Very high	87.3	Confident	47 Å²	47	83.6 Å²	83.6	21%	0.206	39%	0.387	C	S	.	.			trans	-87.4	97.9	178.5	-63.3	-67.1	0	0	0	111.2	L184 L491 P492 W495	L184-F186 HydrophobicContact CB-CD2 4.43Å; L184-F186 HydrophobicContact CB-CE1 4.2Å; L184-F186 HydrophobicContact CB-CE2 3.89Å; L184-F186 HydrophobicContact CB-CZ 3.77Å; L184-F186 HydrophobicContact CD1-CE1 4.39Å; L184-F186 HydrophobicContact CD1-CZ 4.01Å; L184-F186 HydrophobicContact CG-CZ 4.17Å; L184-F186 PolarHBondContact O-N 2.9Å; F186-L491 HydrophobicContact CB-CB 4.3Å; F186-L491 HydrophobicContact CD1-CB 4.11Å; F186-P492 HydrophobicContact CB-CG 3.95Å; F186-P492 HydrophobicContact CD1-CG 4.3Å; F186-P492 HydrophobicContact CD2-CB 4.14Å; F186-P492 HydrophobicContact CD2-CG 3.87Å; F186-P492 HydrophobicContact CE2-CB 4.21Å; F186-P492 HydrophobicContact CE2-CG 4.44Å; F186-P492 HydrophobicContact CG-CB 4.29Å; F186-P492 HydrophobicContact CG-CG 3.78Å; F186-P492 HydrophobicContact CZ-CB 4.43Å; F186-W495 HydrophobicContact CE1-CB 3.63Å; F186-W495 AromaticContact CE1-CG 3.9Å; F186-W495 HydrophobicContact CE1-CG 3.9Å; F186-W495 HydrophobicContact CZ-CB 4.1Å; F186-W495 AromaticContact CZ-CD1 3.86Å; F186-W495 HydrophobicContact CZ-CG 4.03Å
187	K	96.3	Very high	89.6	Confident	66 Å²	66	77 Å²	77	29%	0.287	36%	0.356	S	S	.	.	S	Bend	trans	-163.8	170.6	170.8	60.8	176.7	179.8	169.1	0	109.2	D185 H189 E193 E257 L491	D185-K187 PolarHBondContact O-N 3.49Å; D185-K187 WeakPolarHBondContact OD1-CE 3.11Å; D185-K187 VanDerWaalsContact OD2-CE 3.29Å; D185-K187 WeakPolarHBondContact OD2-CE 3.32Å; D185-K187 IonicContact OD2-NZ 3.11Å; K187-H189 VanDerWaalsContact CE-CD2 3.5Å; K187-H189 WeakPolarHBondContact CE-CD2 3.46Å; K187-H189 WeakPolarHBondContact CE-NE2 3.41Å; K187-H189 PolarHBondContact O-CE1 2.96Å; K187-H189 VanDerWaalsContact O-CE1 3.32Å; K187-H189 PolarHBondContact O-ND1 2.97Å; K187-E193 IonicContact NZ-OE1 2.9Å; K187-E193 PolarHBondContact NZ-OE1 3.5Å; K187-E257 VanDerWaalsContact O-OE2 3.07Å; K187-L491 VanDerWaalsContact C-CD1 3.46Å
188	H	98.1	Very high	91.9	Very high	24 Å²	24	72.6 Å²	72.6	11%	0.111	33%	0.327	C	S	.	.			trans	-79.2	126	167.7	-58.6	-54.9	0	0	0	110.6	E257 F301 F485 P486 A488	H188-E257 WeakPolarHBondContact CA-OE1 3.39Å; H188-F301 HydrophobicContact CB-CD2 4.08Å; H188-F301 HydrophobicContact CB-CE2 3.74Å; H188-F485 HydrophobicContact CB-CE2 4.48Å; H188-F485 AromaticContact CD2-CE2 3.69Å; H188-F485 AromaticContact CE1-CD2 3.93Å; H188-F485 AromaticContact CE1-CE2 3.61Å; H188-F485 AromaticContact CG-CE2 3.68Å; H188-F485 AromaticContact ND1-CE2 3.64Å; H188-F485 AromaticContact NE2-CE2 3.66Å; H188-P486 PolarHBondContact CE1-O 3.27Å; H188-P486 PolarHBondContact NE2-O 2.89Å; H188-A488 PolarHBondContact NE2-N 2.98Å; H188-A488 VanDerWaalsContact NE2-N 3.13Å
189	H	98.4	Very high	93.9	Very high	1 Å²	1	73.8 Å²	73.8	1%	0.005	32%	0.324	C	S	.	.			trans	-101.3	109.3	-178.1	-64.1	85.5	0	0	0	110.8	D185 K187 E193 M194 L197 R256 E257 L260 Y297	D185-H189 PolarHBondContact O-CE1 2.98Å; D185-H189 IonicContact OD2-NE2 2.89Å; D185-H189 PolarHBondContact OD2-NE2 2.95Å; K187-H189 VanDerWaalsContact CE-CD2 3.5Å; K187-H189 WeakPolarHBondContact CE-CD2 3.46Å; K187-H189 WeakPolarHBondContact CE-NE2 3.41Å; K187-H189 PolarHBondContact O-CE1 2.96Å; K187-H189 VanDerWaalsContact O-CE1 3.32Å; K187-H189 PolarHBondContact O-ND1 2.97Å; H189-E193 HydrophobicContact CB-CB 4.14Å; H189-M194 HydrophobicContact CB-CB 4.2Å; H189-L197 VanDerWaalsContact NE2-CD1 3.28Å; H189-L197 WeakPolarHBondContact NE2-CD1 3.44Å; H189-R256 PolarHBondContact O-NE 3.46Å; H189-R256 PolarHBondContact O-NH2 2.88Å; H189-E257 IonicContact CE1-OE2 3.81Å; H189-E257 IonicContact CG-OE2 3.99Å; H189-E257 PolarHBondContact N-OE1 3.36Å; H189-E257 IonicContact ND1-OE2 3.03Å; H189-E257 PolarHBondContact ND1-OE2 3.06Å; H189-L260 HydrophobicContact CB-CD1 3.9Å; H189-Y297 VanDerWaalsContact C-OH 3.32Å; H189-Y297 PolarHBondContact N-OH 3.15Å; H189-Y297 WeakPolarHBondContact O-CE1 3.31Å; H189-Y297 PolarHBondContact O-OH 2.79Å
190	N	98.1	Very high	95.5	Very high	38 Å²	38	68.7 Å²	68.7	20%	0.203	31%	0.308	C	S	.	.			trans	-56.1	165.9	164.5	66.9	47.6	0	0	0	111.1	K192 E193 M194 F301	N190-K192 PolarHBondContact O-N 2.94Å; N190-K192 VanDerWaalsContact O-N 3.11Å; N190-K192 WeakPolarHBondContact OD1-CB 3.3Å; N190-K192 PolarHBondContact OD1-N 2.93Å; N190-K192 VanDerWaalsContact OD1-N 3.09Å; N190-E193 VanDerWaalsContact CG-OE2 3.24Å; N190-E193 PolarHBondContact ND2-OE2 3.44Å; N190-E193 PolarHBondContact O-N 3.09Å; N190-E193 WeakPolarHBondContact OD1-CG 3.28Å; N190-E193 PolarHBondContact OD1-N 3.23Å; N190-M194 WeakPolarHBondContact O-CB 3.37Å; N190-M194 PolarHBondContact O-N 3.08Å; N190-F301 HydrophobicContact CB-CD1 3.96Å; N190-F301 HydrophobicContact CB-CE1 3.66Å; N190-F301 HydrophobicContact CB-CE2 4.27Å; N190-F301 HydrophobicContact CB-CG 4.41Å; N190-F301 HydrophobicContact CB-CZ 3.83Å
191	Y	98.4	Very high	96.4	Very high	21 Å²	21	68.1 Å²	68.1	8%	0.082	30%	0.304	C	S	.	.	H	α-helix	trans	-53.3	-37.9	-176.2	-176.6	-100.3	0	0	0	113.3	M194 R195 L221 K222 Y224 P294 E298	Y191-M194 HydrophobicContact CD2-CE 3.84Å; Y191-M194 HydrophobicContact CE2-CE 3.86Å; Y191-R195 VanDerWaalsContact CE1-CD 3.43Å; Y191-R195 HydrophobicContact CE1-CG 4.37Å; Y191-R195 VanDerWaalsContact O-CG 3.28Å; Y191-R195 WeakPolarHBondContact O-CG 3.45Å; Y191-R195 PolarHBondContact O-N 3.09Å; Y191-L221 HydrophobicContact CD1-CD1 4.4Å; Y191-L221 HydrophobicContact CD1-CD2 3.94Å; Y191-L221 HydrophobicContact CD2-CB 4.4Å; Y191-L221 HydrophobicContact CD2-CD1 4.17Å; Y191-L221 HydrophobicContact CE1-CB 4.2Å; Y191-L221 HydrophobicContact CE1-CD2 3.79Å; Y191-L221 HydrophobicContact CE1-CG 4.45Å; Y191-L221 HydrophobicContact CE2-CB 3.88Å; Y191-L221 HydrophobicContact CE2-CD1 4.47Å; Y191-L221 HydrophobicContact CG-CD1 4.14Å; Y191-L221 HydrophobicContact CG-CD2 4.49Å; Y191-K222 WeakPolarHBondContact CE2-O 3.09Å; Y191-K222 WeakPolarHBondContact OH-CA 3.26Å; Y191-K222 WeakPolarHBondContact OH-CB 3.13Å; Y191-K222 PolarHBondContact OH-N 3.08Å; Y191-K222 PolarHBondContact OH-O 3Å; Y191-Y224 VanDerWaalsContact OH-CE2 3.22Å; Y191-Y224 WeakPolarHBondContact OH-CE2 3.46Å; Y191-P294 HydrophobicContact CD2-CB 3.81Å; Y191-P294 HydrophobicContact CE2-CB 4.03Å; Y191-E298 VanDerWaalsContact CB-OE1 3.28Å; Y191-E298 WeakPolarHBondContact CB-OE1 3.05Å; Y191-E298 PolarHBondContact N-OE1 2.77Å
192	K	98.3	Very high	97.2	Very high	169 Å²	169	59.8 Å²	59.8	74%	0.735	28%	0.275	S	S	*	.	H	α-helix	trans	-69.4	-42.6	177.7	-175.6	-177.1	177.9	-176.6	0	111.5	N190 K196	N190-K192 PolarHBondContact O-N 2.94Å; N190-K192 VanDerWaalsContact O-N 3.11Å; N190-K192 WeakPolarHBondContact OD1-CB 3.3Å; N190-K192 PolarHBondContact OD1-N 2.93Å; N190-K192 VanDerWaalsContact OD1-N 3.09Å; K192-K196 PolarHBondContact O-N 3.33Å; K192-K196 VanDerWaalsContact O-N 3.1Å
193	E	98.6	Very high	97.7	Very high	57 Å²	57	63.7 Å²	63.7	27%	0.266	30%	0.296	S	S	.	.	H	α-helix	trans	-69.8	-40.7	178.7	-70.2	178.6	112.4	0	0	112.2	K187 H189 N190 R195 K196 L197	K187-E193 IonicContact NZ-OE1 2.9Å; K187-E193 PolarHBondContact NZ-OE1 3.5Å; H189-E193 HydrophobicContact CB-CB 4.14Å; N190-E193 VanDerWaalsContact CG-OE2 3.24Å; N190-E193 PolarHBondContact ND2-OE2 3.44Å; N190-E193 PolarHBondContact O-N 3.09Å; N190-E193 WeakPolarHBondContact OD1-CG 3.28Å; N190-E193 PolarHBondContact OD1-N 3.23Å; E193-R195 VanDerWaalsContact C-N 3.32Å; E193-R195 PolarHBondContact O-N 3.42Å; E193-K196 CarbonylContact O-C 3.58Å; E193-K196 WeakPolarHBondContact O-CA 3.2Å; E193-K196 WeakPolarHBondContact O-CB 3.45Å; E193-K196 PolarHBondContact O-N 2.66Å; E193-L197 PolarHBondContact O-N 2.97Å
194	M	98.6	Very high	98	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-54.5	-49.8	173	179.2	-164.5	75.4	0	0	110.5	H189 N190 Y191 K196 L197 M198 Y224 R256 L260 P290	H189-M194 HydrophobicContact CB-CB 4.2Å; N190-M194 WeakPolarHBondContact O-CB 3.37Å; N190-M194 PolarHBondContact O-N 3.08Å; Y191-M194 HydrophobicContact CD2-CE 3.84Å; Y191-M194 HydrophobicContact CE2-CE 3.86Å; M194-K196 VanDerWaalsContact C-N 3.29Å; M194-K196 PolarHBondContact O-N 3.46Å; M194-L197 PolarHBondContact O-N 3.25Å; M194-M198 HydrophobicContact CE-SD 4.41Å; M194-M198 HydrophobicContact CG-SD 4.24Å; M194-M198 WeakPolarHBondContact O-CG 3.34Å; M194-M198 PolarHBondContact O-N 3.49Å; M194-Y224 HydrophobicContact CE-CD2 4.43Å; M194-R256 VanDerWaalsContact SD-CZ 3.57Å; M194-R256 PolarHBondContact SD-NH2 3.01Å; M194-R256 VanDerWaalsContact SD-NH2 3.39Å; M194-L260 HydrophobicContact CB-CD1 4.33Å; M194-L260 HydrophobicContact CG-CD1 3.96Å; M194-L260 HydrophobicContact CG-CD2 3.69Å; M194-L260 HydrophobicContact CG-CG 4.43Å; M194-P290 HydrophobicContact CG-CG 4.4Å; M194-P290 HydrophobicContact SD-CB 4.28Å; M194-P290 HydrophobicContact SD-CG 3.79Å
195	R	98.4	Very high	98.2	Very high	116 Å²	116	58.6 Å²	58.6	44%	0.438	28%	0.275	S	S	.	.	H	α-helix	trans	-60.6	-38.4	176.4	-72.2	175.6	66.7	-162.8	-2.9	112.7	Y191 E193 K199 Y224	Y191-R195 VanDerWaalsContact CE1-CD 3.43Å; Y191-R195 HydrophobicContact CE1-CG 4.37Å; Y191-R195 VanDerWaalsContact O-CG 3.28Å; Y191-R195 WeakPolarHBondContact O-CG 3.45Å; Y191-R195 PolarHBondContact O-N 3.09Å; E193-R195 VanDerWaalsContact C-N 3.32Å; E193-R195 PolarHBondContact O-N 3.42Å; R195-K199 VanDerWaalsContact O-CB 3.31Å; R195-K199 WeakPolarHBondContact O-CB 3.24Å; R195-K199 PolarHBondContact O-N 3.27Å; R195-Y224 VanDerWaalsContact CD-CE2 3.47Å; R195-Y224 HydrophobicContact CG-CD2 3.82Å; R195-Y224 HydrophobicContact CG-CE2 3.59Å; R195-Y224 PolarHBondContact NE-OH 2.79Å; R195-Y224 PolarHBondContact NH2-OH 2.96Å
196	K	98.6	Very high	98.2	Very high	163 Å²	163	58.4 Å²	58.4	71%	0.709	28%	0.277	S	S	*	.	H	α-helix	trans	-66.2	-43	177.9	-171.4	-173.4	175.4	-169.4	0	110.8	K192 E193 M194 K199 S200	K192-K196 PolarHBondContact O-N 3.33Å; K192-K196 VanDerWaalsContact O-N 3.1Å; E193-K196 CarbonylContact O-C 3.58Å; E193-K196 WeakPolarHBondContact O-CA 3.2Å; E193-K196 WeakPolarHBondContact O-CB 3.45Å; E193-K196 PolarHBondContact O-N 2.66Å; M194-K196 VanDerWaalsContact C-N 3.29Å; M194-K196 PolarHBondContact O-N 3.46Å; K196-K199 PolarHBondContact O-N 2.89Å; K196-S200 WeakPolarHBondContact O-CB 3.37Å; K196-S200 PolarHBondContact O-N 3.43Å
197	L	98.6	Very high	98.2	Very high	9 Å²	9	62.7 Å²	62.7	5%	0.047	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-51.1	176.7	-177.3	157.1	0	0	0	110.9	D185 H189 E193 M194 K199 S200 V201 L260 Q264	D185-L197 HydrophobicContact CB-CD1 4.22Å; H189-L197 VanDerWaalsContact NE2-CD1 3.28Å; H189-L197 WeakPolarHBondContact NE2-CD1 3.44Å; E193-L197 PolarHBondContact O-N 2.97Å; M194-L197 PolarHBondContact O-N 3.25Å; L197-K199 VanDerWaalsContact C-N 3.28Å; L197-K199 PolarHBondContact O-N 3.29Å; L197-S200 WeakPolarHBondContact O-CA 3.42Å; L197-S200 VanDerWaalsContact O-CB 3.32Å; L197-S200 WeakPolarHBondContact O-CB 3.4Å; L197-S200 PolarHBondContact O-N 3.09Å; L197-V201 HydrophobicContact CD2-CG2 4.09Å; L197-V201 PolarHBondContact O-N 3.14Å; L197-L260 HydrophobicContact CD1-CB 4.18Å; L197-L260 HydrophobicContact CD2-CB 3.97Å; L197-L260 HydrophobicContact CD2-CD2 4.07Å; L197-Q264 HydrophobicContact CD2-CG 4.14Å
198	M	98.7	Very high	98.3	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-55	-47.2	176.7	-69.7	178.6	83.6	0	0	110.8	M194 S200 V201 H202 I211 M226 L260 M263 P290	M194-M198 HydrophobicContact CE-SD 4.41Å; M194-M198 HydrophobicContact CG-SD 4.24Å; M194-M198 WeakPolarHBondContact O-CG 3.34Å; M194-M198 PolarHBondContact O-N 3.49Å; M198-S200 VanDerWaalsContact C-N 3.33Å; M198-S200 PolarHBondContact O-N 3.5Å; M198-V201 PolarHBondContact O-N 3.44Å; M198-H202 PolarHBondContact O-N 3.04Å; M198-I211 HydrophobicContact CB-CD1 4.05Å; M198-I211 WeakPolarHBondContact O-CD1 3.36Å; M198-M226 HydrophobicContact CB-CE 3.64Å; M198-M226 HydrophobicContact CE-CB 3.96Å; M198-M226 HydrophobicContact CE-CE 4.08Å; M198-M226 HydrophobicContact CG-CE 4.09Å; M198-M226 VanDerWaalsContact O-CE 3.32Å; M198-M226 WeakPolarHBondContact O-CE 3.14Å; M198-L260 HydrophobicContact CG-CD2 4.03Å; M198-M263 HydrophobicContact CE-CE 4.19Å; M198-M263 HydrophobicContact CE-SD 4.32Å; M198-M263 HydrophobicContact CG-SD 3.96Å; M198-P290 HydrophobicContact CE-CG 4.38Å; M198-P290 HydrophobicContact SD-CG 4.12Å
199	K	98.6	Very high	98.4	Very high	125 Å²	125	58.7 Å²	58.7	54%	0.543	29%	0.285	S	S	.	.	H	α-helix	trans	-59.8	-42.8	175.7	-175.5	178.3	176.7	-174.4	0	112	R195 K196 L197 V201 H202 D203	R195-K199 VanDerWaalsContact O-CB 3.31Å; R195-K199 WeakPolarHBondContact O-CB 3.24Å; R195-K199 PolarHBondContact O-N 3.27Å; K196-K199 PolarHBondContact O-N 2.89Å; L197-K199 VanDerWaalsContact C-N 3.28Å; L197-K199 PolarHBondContact O-N 3.29Å; K199-V201 VanDerWaalsContact C-N 3.34Å; K199-V201 PolarHBondContact O-N 3.22Å; K199-H202 PolarHBondContact O-N 2.72Å; K199-D203 WeakPolarHBondContact CE-OD2 3.32Å; K199-D203 WeakPolarHBondContact O-CB 3.32Å; K199-D203 PolarHBondContact O-N 3.36Å
200	S	98.5	Very high	98.4	Very high	70 Å²	70	64.1 Å²	64.1	49%	0.49	31%	0.305	S	S	.	.	H	α-helix	trans	-60.4	-42.1	177.5	-169.2	0	0	0	0	112.3	K196 L197 M198 H202 D203 E204	K196-S200 WeakPolarHBondContact O-CB 3.37Å; K196-S200 PolarHBondContact O-N 3.43Å; L197-S200 WeakPolarHBondContact O-CA 3.42Å; L197-S200 VanDerWaalsContact O-CB 3.32Å; L197-S200 WeakPolarHBondContact O-CB 3.4Å; L197-S200 PolarHBondContact O-N 3.09Å; M198-S200 VanDerWaalsContact C-N 3.33Å; M198-S200 PolarHBondContact O-N 3.5Å; S200-H202 VanDerWaalsContact C-N 3.34Å; S200-D203 PolarHBondContact O-N 3.3Å; S200-E204 WeakPolarHBondContact O-CB 3.4Å; S200-E204 PolarHBondContact O-N 2.92Å
201	V	98.6	Very high	98.4	Very high	4 Å²	4	64.7 Å²	64.7	2%	0.024	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-43	175.7	174.4	0	0	0	0	110.5	L197 M198 K199 E204 C205 M263 Q264 C267	L197-V201 HydrophobicContact CD2-CG2 4.09Å; L197-V201 PolarHBondContact O-N 3.14Å; M198-V201 PolarHBondContact O-N 3.44Å; K199-V201 VanDerWaalsContact C-N 3.34Å; K199-V201 PolarHBondContact O-N 3.22Å; V201-E204 PolarHBondContact O-N 3.08Å; V201-C205 PolarHBondContact O-N 3.15Å; V201-M263 HydrophobicContact CG1-CB 4.28Å; V201-M263 WeakPolarHBondContact CG1-O 3.27Å; V201-M263 HydrophobicContact CG2-CB 4.38Å; V201-Q264 HydrophobicContact CG2-CB 4.41Å; V201-Q264 HydrophobicContact CG2-CG 3.64Å; V201-C267 HydrophobicContact CG1-CB 3.92Å
202	H	98.6	Very high	98.4	Very high	56 Å²	56	65.7 Å²	65.7	26%	0.259	31%	0.312	S	S	.	.	H	α-helix	trans	-64.4	-44.6	177.2	177.3	66.2	0	0	0	112.8	M198 K199 S200 E204 C205 P206 T209 I211	M198-H202 PolarHBondContact O-N 3.04Å; K199-H202 PolarHBondContact O-N 2.72Å; S200-H202 VanDerWaalsContact C-N 3.34Å; H202-E204 PolarHBondContact O-N 2.98Å; H202-C205 CarbonylContact O-C 3.3Å; H202-C205 VanDerWaalsContact O-C 3.3Å; H202-C205 PolarHBondContact O-N 2.93Å; H202-P206 WeakPolarHBondContact O-CA 3.45Å; H202-P206 WeakPolarHBondContact O-CB 3.3Å; H202-P206 VanDerWaalsContact O-CD 3.32Å; H202-P206 WeakPolarHBondContact O-CD 3.44Å; H202-T209 WeakPolarHBondContact CA-OG1 3.4Å; H202-T209 PolarHBondContact CE1-O 3.46Å; H202-T209 PolarHBondContact ND1-O 3.24Å; H202-T209 VanDerWaalsContact ND1-O 3.1Å; H202-T209 PolarHBondContact ND1-OG1 3.36Å; H202-I211 HydrophobicContact CB-CD1 3.74Å; H202-I211 HydrophobicContact CB-CG1 4.13Å
203	D	98.4	Very high	98.4	Very high	99 Å²	99	59.9 Å²	59.9	53%	0.529	29%	0.292	S	S	.	.	H	α-helix	trans	-63	-29	177.3	-67.4	-17.5	0	0	0	111.1	K199 S200	K199-D203 WeakPolarHBondContact CE-OD2 3.32Å; K199-D203 WeakPolarHBondContact O-CB 3.32Å; K199-D203 PolarHBondContact O-N 3.36Å; S200-D203 PolarHBondContact O-N 3.3Å
204	E	98.1	Very high	98.4	Very high	85 Å²	85	58.5 Å²	58.5	40%	0.397	29%	0.287	S	S	.	.	H	α-helix	trans	-80.1	-36.7	176.5	-173.3	173.1	179.9	0	0	113.8	S200 V201 H202 P206 K271	S200-E204 WeakPolarHBondContact O-CB 3.4Å; S200-E204 PolarHBondContact O-N 2.92Å; V201-E204 PolarHBondContact O-N 3.08Å; H202-E204 PolarHBondContact O-N 2.98Å; E204-P206 VanDerWaalsContact C-CD 3.44Å; E204-K271 HydrophobicContact CG-CD 4.03Å; E204-K271 IonicContact OE1-NZ 3.86Å; E204-K271 PolarHBondContact OE1-NZ 3.35Å
205	C	98.2	Very high	98.4	Very high	8 Å²	8	59.6 Å²	59.6	5%	0.054	30%	0.298	C	S	.	.	S	Bend	trans	-127.5	57.8	-178.2	-72.8	0	0	0	0	112.6	V201 H202 N207 I208 T209 C267 K271	V201-C205 PolarHBondContact O-N 3.15Å; H202-C205 CarbonylContact O-C 3.3Å; H202-C205 VanDerWaalsContact O-C 3.3Å; H202-C205 PolarHBondContact O-N 2.93Å; C205-N207 VanDerWaalsContact C-N 3.25Å; C205-N207 PolarHBondContact O-N 3.33Å; C205-I208 HydrophobicContact CB-CD1 4.15Å; C205-I208 HydrophobicContact CB-CG1 3.76Å; C205-I208 PolarHBondContact O-N 3.43Å; C205-T209 HydrophobicContact CB-CG2 4.16Å; C205-T209 WeakPolarHBondContact O-CB 3.27Å; C205-T209 WeakPolarHBondContact O-CG2 3.46Å; C205-T209 PolarHBondContact O-N 3.28Å; C205-T209 PolarHBondContact O-OG1 2.95Å; C205-C267 HydrophobicContact CB-CB 3.85Å; C205-C267 WeakPolarHBondContact CB-SG 3.12Å; C205-C267 WeakPolarHBondContact SG-CA 3.28Å; C205-C267 WeakPolarHBondContact SG-CB 3.45Å; C205-C267 PolarHBondContact SG-O 3.42Å; C205-C267 CovalentContact SG-SG 2.04Å; C205-C267 PolarHBondContact SG-SG 3.29Å; C205-K271 VanDerWaalsContact SG-CD 3.57Å
206	P	97.7	Very high	98.3	Very high	64 Å²	64	58.1 Å²	58.1	42%	0.416	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-25.6	-171.3	26.9	-36	0	0	0	113.2	H202 E204 I208	H202-P206 WeakPolarHBondContact O-CA 3.45Å; H202-P206 WeakPolarHBondContact O-CB 3.3Å; H202-P206 VanDerWaalsContact O-CD 3.32Å; H202-P206 WeakPolarHBondContact O-CD 3.44Å; E204-P206 VanDerWaalsContact C-CD 3.44Å; P206-I208 VanDerWaalsContact C-N 3.29Å; P206-I208 PolarHBondContact O-N 3.49Å
207	N	97.2	Very high	98.3	Very high	136 Å²	136	50.6 Å²	50.6	73%	0.727	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-22.8	-178.3	-64.6	-18.8	0	0	0	113.1	C205 P232	C205-N207 VanDerWaalsContact C-N 3.25Å; C205-N207 PolarHBondContact O-N 3.33Å; N207-P232 WeakPolarHBondContact O-CD 3.33Å
208	I	98.3	Very high	98.2	Very high	4 Å²	4	56 Å²	56	2%	0.021	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	4.5	-176.3	63.2	157.8	0	0	0	113.4	C205 P206 I228 S229 Y270 V281	C205-I208 HydrophobicContact CB-CD1 4.15Å; C205-I208 HydrophobicContact CB-CG1 3.76Å; C205-I208 PolarHBondContact O-N 3.43Å; P206-I208 VanDerWaalsContact C-N 3.29Å; P206-I208 PolarHBondContact O-N 3.49Å; I208-I228 HydrophobicContact CD1-CG2 4.38Å; I208-I228 VanDerWaalsContact O-CA 3.26Å; I208-I228 WeakPolarHBondContact O-CA 3.48Å; I208-S229 CarbonylContact C-O 3.58Å; I208-S229 VanDerWaalsContact C-O 3.27Å; I208-S229 WeakPolarHBondContact CA-O 3.48Å; I208-S229 WeakPolarHBondContact CB-O 3.24Å; I208-S229 PolarHBondContact O-N 2.97Å; I208-Y270 HydrophobicContact CD1-CD1 3.68Å; I208-Y270 HydrophobicContact CD1-CD2 4.01Å; I208-Y270 HydrophobicContact CD1-CE1 4.18Å; I208-Y270 HydrophobicContact CD1-CE2 4.46Å; I208-Y270 HydrophobicContact CD1-CG 3.6Å; I208-Y270 HydrophobicContact CG1-CD1 4.48Å; I208-Y270 HydrophobicContact CG2-CD1 4.35Å; I208-Y270 HydrophobicContact CG2-CE1 3.7Å; I208-Y270 HydrophobicContact CG2-CE2 4.14Å; I208-V281 HydrophobicContact CB-CG1 4.11Å; I208-V281 HydrophobicContact CD1-CG1 4.32Å; I208-V281 HydrophobicContact CG2-CG1 4.2Å
209	T	98.7	Very high	98.1	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	149.7	-176	62.4	0	0	0	0	112.3	H202 C205 M226 E227 I228	H202-T209 WeakPolarHBondContact CA-OG1 3.4Å; H202-T209 PolarHBondContact CE1-O 3.46Å; H202-T209 PolarHBondContact ND1-O 3.24Å; H202-T209 VanDerWaalsContact ND1-O 3.1Å; H202-T209 PolarHBondContact ND1-OG1 3.36Å; C205-T209 HydrophobicContact CB-CG2 4.16Å; C205-T209 WeakPolarHBondContact O-CB 3.27Å; C205-T209 WeakPolarHBondContact O-CG2 3.46Å; C205-T209 PolarHBondContact O-N 3.28Å; C205-T209 PolarHBondContact O-OG1 2.95Å; T209-M226 HydrophobicContact CG2-SD 4.32Å; T209-E227 CarbonylContact C-O 3.45Å; T209-E227 WeakPolarHBondContact CA-O 3.31Å; T209-I228 HydrophobicContact CG2-CG1 4.27Å
210	R	98.5	Very high	98.1	Very high	114 Å²	114	59.2 Å²	59.2	43%	0.43	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	130.4	172	165.5	-178	155.7	134.1	-1.3	110.4	E227 P232	R210-E227 HydrophobicContact CB-CB 4.13Å; R210-E227 PolarHBondContact N-O 2.92Å; R210-E227 IonicContact NE-OE2 2.69Å; R210-E227 VanDerWaalsContact O-CB 3.29Å; R210-E227 WeakPolarHBondContact O-CB 3.24Å; R210-E227 PolarHBondContact O-N 3.39Å; R210-P232 HydrophobicContact CB-CB 3.83Å
211	I	98.6	Very high	98.1	Very high	51 Å²	51	57.8 Å²	57.8	26%	0.262	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.8	174.7	-56.9	170.2	0	0	0	108.9	M198 H202 Y224 V225 M226	M198-I211 HydrophobicContact CB-CD1 4.05Å; M198-I211 WeakPolarHBondContact O-CD1 3.36Å; H202-I211 HydrophobicContact CB-CD1 3.74Å; H202-I211 HydrophobicContact CB-CG1 4.13Å; I211-Y224 HydrophobicContact CG2-CD1 3.67Å; I211-Y224 HydrophobicContact CG2-CE1 4.26Å; I211-V225 WeakPolarHBondContact CA-O 3.48Å; I211-M226 HydrophobicContact CD1-CE 3.84Å; I211-M226 HydrophobicContact CG1-CE 3.5Å; I211-M226 HydrophobicContact CG1-SD 3.75Å
212	Y	98.6	Very high	98.1	Very high	42 Å²	42	62.1 Å²	62.1	17%	0.165	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	175.5	170.5	67.8	-84.5	0	0	0	111	I214 Y224 V225 E227 H287 W374	Y212-I214 HydrophobicContact CD2-CG2 4.11Å; Y212-I214 HydrophobicContact CE2-CG2 3.55Å; Y212-Y224 WeakPolarHBondContact O-CA 3.42Å; Y212-V225 HydrophobicContact CD1-CB 4.25Å; Y212-V225 HydrophobicContact CD2-CB 4.38Å; Y212-V225 HydrophobicContact CE1-CB 3.82Å; Y212-V225 HydrophobicContact CE1-CG1 3.68Å; Y212-V225 HydrophobicContact CE2-CB 3.97Å; Y212-V225 HydrophobicContact CE2-CG1 4.36Å; Y212-V225 HydrophobicContact CE2-CG2 4.19Å; Y212-V225 PolarHBondContact N-O 3.2Å; Y212-V225 VanDerWaalsContact N-O 3.11Å; Y212-V225 PolarHBondContact O-N 3.09Å; Y212-E227 HydrophobicContact CD1-CB 4.43Å; Y212-E227 HydrophobicContact CE1-CB 4.07Å; Y212-H287 AromaticContact CE1-ND1 3.67Å; Y212-H287 AromaticContact CZ-ND1 3.76Å; Y212-H287 PolarHBondContact OH-CE1 3.06Å; Y212-H287 PolarHBondContact OH-ND1 3.27Å; Y212-W374 AromaticContact CZ-NE1 3.86Å; Y212-W374 PolarHBondContact OH-NE1 2.95Å
213	S	98.4	Very high	98.1	Very high	46 Å²	46	59.4 Å²	59.4	32%	0.322	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.9	176.6	-179.7	0	0	0	0	110.3	G215 K222 L223	S213-G215 PolarHBondContact OG-O 3.32Å; S213-K222 WeakPolarHBondContact OG-CB 3.4Å; S213-L223 WeakPolarHBondContact CA-O 3.29Å; S213-L223 WeakPolarHBondContact CB-O 3.19Å; S213-L223 PolarHBondContact OG-O 3.11Å
214	I	98.5	Very high	98.1	Very high	29 Å²	29	56.3 Å²	56.3	15%	0.149	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-8.8	-178.3	56.8	164.4	0	0	0	113.1	Y212 L223 V225 L289 A370 V371 W374	Y212-I214 HydrophobicContact CD2-CG2 4.11Å; Y212-I214 HydrophobicContact CE2-CG2 3.55Å; I214-L223 HydrophobicContact CD1-CB 4.18Å; I214-L223 HydrophobicContact CD1-CD2 4.14Å; I214-L223 HydrophobicContact CG1-CB 3.64Å; I214-L223 HydrophobicContact CG1-CD2 4.34Å; I214-L223 PolarHBondContact N-O 2.9Å; I214-L223 VanDerWaalsContact N-O 3.08Å; I214-V225 HydrophobicContact CG1-CG2 4.42Å; I214-V225 HydrophobicContact CG2-CG2 3.75Å; I214-L289 HydrophobicContact CD1-CD2 3.81Å; I214-A370 HydrophobicContact CG1-CB 4.45Å; I214-A370 WeakPolarHBondContact O-CB 3.42Å; I214-V371 HydrophobicContact CD1-CG2 3.89Å; I214-W374 HydrophobicContact CB-CB 4.12Å; I214-W374 HydrophobicContact CB-CG 4.29Å; I214-W374 HydrophobicContact CD1-CB 4.29Å; I214-W374 HydrophobicContact CD1-CD2 4.28Å; I214-W374 HydrophobicContact CD1-CE3 4.07Å; I214-W374 HydrophobicContact CD1-CG 4.41Å; I214-W374 HydrophobicContact CG2-CB 3.85Å; I214-W374 HydrophobicContact CG2-CD2 3.96Å; I214-W374 HydrophobicContact CG2-CG 3.51Å
215	G	98.1	Very high	98.1	Very high	25 Å²	25	52.2 Å²	52.2	26%	0.258	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	158.7	-165.8	-174.2	0	0	0	0	0	110.7	S213 K222 L223	S213-G215 PolarHBondContact OG-O 3.32Å; G215-K222 WeakPolarHBondContact O-CA 3.2Å; G215-L223 PolarHBondContact O-N 3.38Å
216	K	98.1	Very high	98.1	Very high	85 Å²	85	51.9 Å²	51.9	37%	0.37	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151.2	178	-58.2	-174.2	-173.1	-179.5	0	110.3	D220 L221 K222	K216-D220 HydrophobicContact CD-CB 4.45Å; K216-D220 WeakPolarHBondContact CD-OD1 3.28Å; K216-D220 WeakPolarHBondContact CE-OD1 3.31Å; K216-D220 IonicContact NZ-OD1 3.22Å; K216-D220 PolarHBondContact NZ-OD1 2.84Å; K216-D220 IonicContact NZ-OD2 3.17Å; K216-D220 PolarHBondContact NZ-OD2 3Å; K216-L221 CarbonylContact C-O 3.3Å; K216-L221 VanDerWaalsContact CA-O 3.27Å; K216-L221 WeakPolarHBondContact CA-O 3.3Å; K216-K222 HydrophobicContact CG-CG 4.07Å
217	S	97.8	Very high	98.2	Very high	6 Å²	6	48.9 Å²	48.9	4%	0.042	24%	0.235	C	C	.	.			trans	-69.9	173.9	169.3	68.8	0	0	0	0	111.2	K219 D220 L221 L223 D295 E367	S217-K219 VanDerWaalsContact C-N 3.27Å; S217-K219 PolarHBondContact O-N 3.32Å; S217-K219 PolarHBondContact OG-N 3.02Å; S217-D220 PolarHBondContact O-N 2.99Å; S217-L221 PolarHBondContact N-O 3.23Å; S217-L221 VanDerWaalsContact OG-CB 3.26Å; S217-L221 WeakPolarHBondContact OG-CB 3.37Å; S217-L221 PolarHBondContact OG-N 2.91Å; S217-L221 PolarHBondContact OG-O 2.86Å; S217-L223 VanDerWaalsContact N-CD1 3.27Å; S217-D295 VanDerWaalsContact CB-CG 3.49Å; S217-D295 VanDerWaalsContact CB-OD1 3.28Å; S217-D295 WeakPolarHBondContact CB-OD1 3.44Å; S217-D295 WeakPolarHBondContact CB-OD2 3.38Å; S217-D295 PolarHBondContact OG-OD1 3.48Å; S217-D295 PolarHBondContact OG-OD2 3.11Å; S217-E367 WeakPolarHBondContact CA-OE1 3.39Å; S217-E367 WeakPolarHBondContact CB-OE1 3.25Å
218	Y	96.4	Very high	98.3	Very high	121 Å²	121	42.4 Å²	42.4	48%	0.475	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-41.4	174	-172	-82.5	0	0	0	112.9	D220 D295 Y317 E318 E367	Y218-D220 PolarHBondContact O-N 2.82Å; Y218-D295 PolarHBondContact N-OD2 3.38Å; Y218-Y317 AromaticContact CD1-CD1 3.06Å; Y218-Y317 HydrophobicContact CD1-CD1 3.06Å; Y218-Y317 AromaticContact CD1-CE1 3.57Å; Y218-Y317 HydrophobicContact CD1-CE1 3.57Å; Y218-Y317 AromaticContact CD1-CG 3.91Å; Y218-Y317 HydrophobicContact CD1-CG 3.91Å; Y218-Y317 AromaticContact CE1-CD1 3.28Å; Y218-Y317 HydrophobicContact CE1-CD1 3.28Å; Y218-Y317 AromaticContact CE1-CE1 3.31Å; Y218-Y317 HydrophobicContact CE1-CE1 3.31Å; Y218-Y317 HydrophobicContact CE1-CG 4.47Å; Y218-Y317 AromaticContact CG-CD1 3.76Å; Y218-Y317 HydrophobicContact CG-CD1 3.76Å; Y218-Y317 HydrophobicContact CG-CG 4.42Å; Y218-E318 HydrophobicContact CD2-CG 3.4Å; Y218-E318 WeakPolarHBondContact CD2-OE2 3.19Å; Y218-E318 HydrophobicContact CE2-CG 3.5Å; Y218-E318 VanDerWaalsContact CE2-OE1 3.24Å; Y218-E318 WeakPolarHBondContact CE2-OE1 3.34Å; Y218-E318 HydrophobicContact CG-CG 4.07Å; Y218-E367 PolarHBondContact N-OE1 3.34Å; Y218-E367 VanDerWaalsContact N-OE1 3.09Å
219	K	97.1	Very high	98.3	Very high	93 Å²	93	42.2 Å²	42.2	40%	0.404	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	21.3	176	-67.7	179.9	167.8	155.5	0	114.4	S217 L221 D295 Y317	S217-K219 VanDerWaalsContact C-N 3.27Å; S217-K219 PolarHBondContact O-N 3.32Å; S217-K219 PolarHBondContact OG-N 3.02Å; K219-L221 PolarHBondContact O-N 2.9Å; K219-D295 WeakPolarHBondContact CB-OD1 3.29Å; K219-D295 WeakPolarHBondContact CB-OD2 3.1Å; K219-D295 HydrophobicContact CD-CB 4.41Å; K219-D295 WeakPolarHBondContact CG-OD2 3.48Å; K219-D295 PolarHBondContact N-OD2 2.8Å; K219-Y317 HydrophobicContact CD-CD2 4.15Å; K219-Y317 HydrophobicContact CD-CE2 4.4Å; K219-Y317 HydrophobicContact CG-CD2 4.34Å; K219-Y317 HydrophobicContact CG-CG 4.34Å; K219-Y317 VanDerWaalsContact NZ-CD2 3.28Å; K219-Y317 VanDerWaalsContact NZ-CE2 3.3Å
220	D	97.3	Very high	98.2	Very high	103 Å²	103	44.4 Å²	44.4	55%	0.551	21%	0.211	S	C	*	.	S	Bend	trans	65.1	20	177.1	-149.2	52.8	0	0	0	113.7	K216 S217 Y218	K216-D220 HydrophobicContact CD-CB 4.45Å; K216-D220 WeakPolarHBondContact CD-OD1 3.28Å; K216-D220 WeakPolarHBondContact CE-OD1 3.31Å; K216-D220 IonicContact NZ-OD1 3.22Å; K216-D220 PolarHBondContact NZ-OD1 2.84Å; K216-D220 IonicContact NZ-OD2 3.17Å; K216-D220 PolarHBondContact NZ-OD2 3Å; S217-D220 PolarHBondContact O-N 2.99Å; Y218-D220 PolarHBondContact O-N 2.82Å
221	L	98.3	Very high	98.2	Very high	40 Å²	40	42.4 Å²	42.4	21%	0.209	21%	0.209	C	C	.	.			trans	-80.6	120.5	173.3	-55.7	-175.8	0	0	0	109.3	Y191 K216 S217 K219 L223 P294 D295 E298	Y191-L221 HydrophobicContact CD1-CD1 4.4Å; Y191-L221 HydrophobicContact CD1-CD2 3.94Å; Y191-L221 HydrophobicContact CD2-CB 4.4Å; Y191-L221 HydrophobicContact CD2-CD1 4.17Å; Y191-L221 HydrophobicContact CE1-CB 4.2Å; Y191-L221 HydrophobicContact CE1-CD2 3.79Å; Y191-L221 HydrophobicContact CE1-CG 4.45Å; Y191-L221 HydrophobicContact CE2-CB 3.88Å; Y191-L221 HydrophobicContact CE2-CD1 4.47Å; Y191-L221 HydrophobicContact CG-CD1 4.14Å; Y191-L221 HydrophobicContact CG-CD2 4.49Å; K216-L221 CarbonylContact C-O 3.3Å; K216-L221 VanDerWaalsContact CA-O 3.27Å; K216-L221 WeakPolarHBondContact CA-O 3.3Å; S217-L221 PolarHBondContact N-O 3.23Å; S217-L221 VanDerWaalsContact OG-CB 3.26Å; S217-L221 WeakPolarHBondContact OG-CB 3.37Å; S217-L221 PolarHBondContact OG-N 2.91Å; S217-L221 PolarHBondContact OG-O 2.86Å; K219-L221 PolarHBondContact O-N 2.9Å; L221-L223 WeakPolarHBondContact O-CD1 3.3Å; L221-L223 PolarHBondContact O-N 3.46Å; L221-P294 HydrophobicContact CB-CB 4.24Å; L221-P294 HydrophobicContact CB-CG 3.92Å; L221-P294 HydrophobicContact CD1-CB 3.93Å; L221-P294 HydrophobicContact CD1-CG 4.33Å; L221-D295 WeakPolarHBondContact CD1-OD1 3.35Å; L221-E298 HydrophobicContact CD1-CG 4.32Å
222	K	98.5	Very high	98.1	Very high	94 Å²	94	41.9 Å²	41.9	41%	0.409	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	129.7	175.6	-71.7	179.1	179.1	-173.8	0	111.5	Y191 S213 G215 K216 Y224	Y191-K222 WeakPolarHBondContact CE2-O 3.09Å; Y191-K222 WeakPolarHBondContact OH-CA 3.26Å; Y191-K222 WeakPolarHBondContact OH-CB 3.13Å; Y191-K222 PolarHBondContact OH-N 3.08Å; Y191-K222 PolarHBondContact OH-O 3Å; S213-K222 WeakPolarHBondContact OG-CB 3.4Å; G215-K222 WeakPolarHBondContact O-CA 3.2Å; K216-K222 HydrophobicContact CG-CG 4.07Å; K222-Y224 HydrophobicContact CB-CD2 4.07Å; K222-Y224 HydrophobicContact CB-CE1 4.4Å; K222-Y224 HydrophobicContact CB-CE2 3.62Å; K222-Y224 HydrophobicContact CD-CE1 4.3Å; K222-Y224 HydrophobicContact CD-CE2 4.44Å; K222-Y224 WeakPolarHBondContact CD-OH 3.46Å; K222-Y224 WeakPolarHBondContact O-CD2 3.45Å; K222-Y224 PolarHBondContact O-N 3.26Å
223	L	98.7	Very high	98	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	104.3	168.4	-79.8	65.7	0	0	0	106.8	S213 I214 G215 S217 L221 L289 P294 E367 A370	S213-L223 WeakPolarHBondContact CA-O 3.29Å; S213-L223 WeakPolarHBondContact CB-O 3.19Å; S213-L223 PolarHBondContact OG-O 3.11Å; I214-L223 HydrophobicContact CD1-CB 4.18Å; I214-L223 HydrophobicContact CD1-CD2 4.14Å; I214-L223 HydrophobicContact CG1-CB 3.64Å; I214-L223 HydrophobicContact CG1-CD2 4.34Å; I214-L223 PolarHBondContact N-O 2.9Å; I214-L223 VanDerWaalsContact N-O 3.08Å; G215-L223 PolarHBondContact O-N 3.38Å; S217-L223 VanDerWaalsContact N-CD1 3.27Å; L221-L223 WeakPolarHBondContact O-CD1 3.3Å; L221-L223 PolarHBondContact O-N 3.46Å; L223-L289 HydrophobicContact CB-CD1 4.31Å; L223-P294 HydrophobicContact CD1-CG 4.3Å; L223-E367 HydrophobicContact CD1-CG 4.31Å; L223-E367 HydrophobicContact CD2-CB 4.14Å; L223-E367 HydrophobicContact CD2-CG 4.28Å; L223-A370 HydrophobicContact CD2-CB 4.35Å
224	Y	98.8	Very high	97.7	Very high	33 Å²	33	46 Å²	46	13%	0.129	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	139.5	-176.6	-76.5	-75.2	0	0	0	111.3	Y191 M194 R195 I211 Y212 K222 L289 P290	Y191-Y224 VanDerWaalsContact OH-CE2 3.22Å; Y191-Y224 WeakPolarHBondContact OH-CE2 3.46Å; M194-Y224 HydrophobicContact CE-CD2 4.43Å; R195-Y224 VanDerWaalsContact CD-CE2 3.47Å; R195-Y224 HydrophobicContact CG-CD2 3.82Å; R195-Y224 HydrophobicContact CG-CE2 3.59Å; R195-Y224 PolarHBondContact NE-OH 2.79Å; R195-Y224 PolarHBondContact NH2-OH 2.96Å; I211-Y224 HydrophobicContact CG2-CD1 3.67Å; I211-Y224 HydrophobicContact CG2-CE1 4.26Å; Y212-Y224 WeakPolarHBondContact O-CA 3.42Å; K222-Y224 HydrophobicContact CB-CD2 4.07Å; K222-Y224 HydrophobicContact CB-CE1 4.4Å; K222-Y224 HydrophobicContact CB-CE2 3.62Å; K222-Y224 HydrophobicContact CD-CE1 4.3Å; K222-Y224 HydrophobicContact CD-CE2 4.44Å; K222-Y224 WeakPolarHBondContact CD-OH 3.46Å; K222-Y224 WeakPolarHBondContact O-CD2 3.45Å; K222-Y224 PolarHBondContact O-N 3.26Å; Y224-L289 VanDerWaalsContact O-CD1 3.23Å; Y224-L289 WeakPolarHBondContact O-CD1 3.33Å; Y224-P290 WeakPolarHBondContact O-CD 3.47Å
225	V	98.9	Very high	97.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.7	173.6	-179.4	0	0	0	0	108.7	I211 Y212 I214 H287 L288 L289 W374	I211-V225 WeakPolarHBondContact CA-O 3.48Å; Y212-V225 HydrophobicContact CD1-CB 4.25Å; Y212-V225 HydrophobicContact CD2-CB 4.38Å; Y212-V225 HydrophobicContact CE1-CB 3.82Å; Y212-V225 HydrophobicContact CE1-CG1 3.68Å; Y212-V225 HydrophobicContact CE2-CB 3.97Å; Y212-V225 HydrophobicContact CE2-CG1 4.36Å; Y212-V225 HydrophobicContact CE2-CG2 4.19Å; Y212-V225 PolarHBondContact N-O 3.2Å; Y212-V225 VanDerWaalsContact N-O 3.11Å; Y212-V225 PolarHBondContact O-N 3.09Å; I214-V225 HydrophobicContact CG1-CG2 4.42Å; I214-V225 HydrophobicContact CG2-CG2 3.75Å; V225-H287 HydrophobicContact CG1-CB 3.93Å; V225-L288 WeakPolarHBondContact CA-O 3.34Å; V225-L289 HydrophobicContact CG2-CB 4.18Å; V225-L289 HydrophobicContact CG2-CD1 4.06Å; V225-W374 HydrophobicContact CG1-CZ2 4.1Å; V225-W374 HydrophobicContact CG2-CZ2 4.25Å
226	M	98.8	Very high	97.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.4	165	-172.7	66.4	61.8	0	0	108.6	M198 T209 I211 I228 M263 H287 L288	M198-M226 HydrophobicContact CB-CE 3.64Å; M198-M226 HydrophobicContact CE-CB 3.96Å; M198-M226 HydrophobicContact CE-CE 4.08Å; M198-M226 HydrophobicContact CG-CE 4.09Å; M198-M226 VanDerWaalsContact O-CE 3.32Å; M198-M226 WeakPolarHBondContact O-CE 3.14Å; T209-M226 HydrophobicContact CG2-SD 4.32Å; I211-M226 HydrophobicContact CD1-CE 3.84Å; I211-M226 HydrophobicContact CG1-CE 3.5Å; I211-M226 HydrophobicContact CG1-SD 3.75Å; M226-I228 HydrophobicContact CG-CD1 4.27Å; M226-I228 HydrophobicContact CG-CG1 3.89Å; M226-M263 HydrophobicContact CB-CE 3.72Å; M226-M263 HydrophobicContact CB-CG 3.99Å; M226-M263 HydrophobicContact CB-SD 3.66Å; M226-M263 HydrophobicContact CE-SD 4.1Å; M226-M263 HydrophobicContact CG-CG 3.95Å; M226-M263 HydrophobicContact CG-SD 4.06Å; M226-H287 WeakPolarHBondContact O-CA 3.5Å; M226-L288 HydrophobicContact CB-CB 4.43Å; M226-L288 PolarHBondContact N-O 3.11Å; M226-L288 PolarHBondContact O-N 2.72Å
227	E	98.8	Very high	97.4	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	135.4	166.1	-172.3	177	156.6	0	0	109.6	T209 R210 Y212 P232 G233 R285 I286 H287	T209-E227 CarbonylContact C-O 3.45Å; T209-E227 WeakPolarHBondContact CA-O 3.31Å; R210-E227 HydrophobicContact CB-CB 4.13Å; R210-E227 PolarHBondContact N-O 2.92Å; R210-E227 IonicContact NE-OE2 2.69Å; R210-E227 VanDerWaalsContact O-CB 3.29Å; R210-E227 WeakPolarHBondContact O-CB 3.24Å; R210-E227 PolarHBondContact O-N 3.39Å; Y212-E227 HydrophobicContact CD1-CB 4.43Å; Y212-E227 HydrophobicContact CE1-CB 4.07Å; E227-P232 WeakPolarHBondContact OE1-CA 3.42Å; E227-G233 PolarHBondContact OE1-N 2.98Å; E227-R285 HydrophobicContact CG-CG 4.45Å; E227-R285 IonicContact OE1-CZ 3.26Å; E227-R285 IonicContact OE1-NE 3.13Å; E227-R285 PolarHBondContact OE1-NE 2.77Å; E227-R285 IonicContact OE1-NH2 3.76Å; E227-R285 PolarHBondContact OE1-NH2 2.89Å; E227-R285 IonicContact OE2-NH2 2.88Å; E227-R285 PolarHBondContact OE2-NH2 2.97Å; E227-R285 VanDerWaalsContact OE2-NH2 3.14Å; E227-I286 CarbonylContact C-O 3.58Å; E227-I286 VanDerWaalsContact CA-O 3.3Å; E227-I286 WeakPolarHBondContact CA-O 3.19Å; E227-H287 IonicContact OE2-CE1 3.42Å
228	I	98.8	Very high	97.3	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	117.3	174.2	-49.1	179.3	0	0	0	108.6	I208 T209 M226 M266 V281 I286 L288	I208-I228 HydrophobicContact CD1-CG2 4.38Å; I208-I228 VanDerWaalsContact O-CA 3.26Å; I208-I228 WeakPolarHBondContact O-CA 3.48Å; T209-I228 HydrophobicContact CG2-CG1 4.27Å; M226-I228 HydrophobicContact CG-CD1 4.27Å; M226-I228 HydrophobicContact CG-CG1 3.89Å; I228-M266 HydrophobicContact CD1-CB 4.26Å; I228-M266 HydrophobicContact CD1-SD 4Å; I228-M266 HydrophobicContact CG2-CE 4.38Å; I228-V281 HydrophobicContact CG2-CG1 4.29Å; I228-V281 HydrophobicContact CG2-CG2 3.87Å; I228-I286 HydrophobicContact CB-CB 4.32Å; I228-I286 PolarHBondContact N-O 2.85Å; I228-I286 WeakPolarHBondContact O-CB 3.46Å; I228-I286 PolarHBondContact O-N 3.07Å; I228-L288 HydrophobicContact CD1-CD1 4.07Å
229	S	98.6	Very high	97.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-164.7	159.8	178.8	164.7	0	0	0	0	107.7	I208 N231 P232 E239 V281	I208-S229 CarbonylContact C-O 3.58Å; I208-S229 VanDerWaalsContact C-O 3.27Å; I208-S229 WeakPolarHBondContact CA-O 3.48Å; I208-S229 WeakPolarHBondContact CB-O 3.24Å; I208-S229 PolarHBondContact O-N 2.97Å; S229-N231 PolarHBondContact O-N 2.77Å; S229-N231 PolarHBondContact OG-N 2.04Å; S229-N231 VanDerWaalsContact OG-N 3.13Å; S229-P232 WeakPolarHBondContact O-CD 3.46Å; S229-E239 PolarHBondContact OG-OE1 3.17Å; S229-V281 CarbonylContact C-O 3.56Å; S229-V281 WeakPolarHBondContact CA-O 3.44Å
230	D	97.3	Very high	97.3	Very high	48 Å²	48	38.7 Å²	38.7	26%	0.257	20%	0.203	S	C	.	.	S	Bend	trans	-72.2	-15.5	171	70.1	-34.6	0	0	0	113.9	V281 K282	D230-V281 PolarHBondContact N-O 3.09Å; D230-K282 HydrophobicContact CB-CG 4.11Å
231	N	97.4	Very high	97.4	Very high	72 Å²	72	33.8 Å²	33.8	39%	0.385	18%	0.177	S	C	.	.	S	Bend	trans	-126.5	65.2	172.9	-69.8	-60.4	0	0	0	113	S229 G233 K234 E236	S229-N231 PolarHBondContact O-N 2.77Å; S229-N231 PolarHBondContact OG-N 2.04Å; S229-N231 VanDerWaalsContact OG-N 3.13Å; N231-G233 PolarHBondContact O-N 3.27Å; N231-K234 PolarHBondContact O-N 3.49Å; N231-E236 HydrophobicContact CB-CG 4.39Å; N231-E236 WeakPolarHBondContact CB-OE2 3.46Å; N231-E236 PolarHBondContact ND2-OE1 3.01Å; N231-E236 PolarHBondContact ND2-OE2 2.9Å
232	P	97.5	Very high	97.4	Very high	40 Å²	40	31.9 Å²	31.9	26%	0.26	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	136.8	-172.6	27.9	-34.8	0	0	0	113	N207 R210 E227 S229	N207-P232 WeakPolarHBondContact O-CD 3.33Å; R210-P232 HydrophobicContact CB-CB 3.83Å; E227-P232 WeakPolarHBondContact OE1-CA 3.42Å; S229-P232 WeakPolarHBondContact O-CD 3.46Å
233	G	95.8	Very high	97.4	Very high	32 Å²	32	27.4 Å²	27.4	33%	0.33	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.9	-2	178.1	0	0	0	0	0	114.4	E227 N231	E227-G233 PolarHBondContact OE1-N 2.98Å; N231-G233 PolarHBondContact O-N 3.27Å
234	K	93.4	Very high	97.4	Very high	143 Å²	143	27.4 Å²	27.4	62%	0.622	15%	0.147	S	C	*	.	S	Bend	trans	-138.9	133.8	-177.2	-172.1	-170.8	169.3	-161.2	0	110.2	N231	N231-K234 PolarHBondContact O-N 3.49Å
235	H	95.7	Very high	97.4	Very high	35 Å²	35	25.9 Å²	25.9	16%	0.162	14%	0.141	C	C	.	.			trans	-72.2	135.5	168.1	177.4	65.8	0	0	0	110.7	E239 E241 D547 W549	H235-E239 PolarHBondContact CE1-O 3.3Å; H235-E239 VanDerWaalsContact CE1-O 3.27Å; H235-E241 IonicContact CE1-OE1 2.78Å; H235-E241 IonicContact CG-OE1 2.7Å; H235-E241 IonicContact ND1-OE1 3Å; H235-E241 PolarHBondContact ND1-OE1 3.48Å; H235-D547 IonicContact CE1-OD2 3.25Å; H235-D547 IonicContact NE2-OD1 3.2Å; H235-D547 IonicContact NE2-OD2 2.84Å; H235-D547 PolarHBondContact NE2-OD2 3.39Å; H235-W549 AromaticContact CE1-CH2 3.5Å; H235-W549 AromaticContact CE1-CZ2 3.96Å; H235-W549 AromaticContact NE2-CH2 3.91Å
236	E	96.4	Very high	97.4	Very high	59 Å²	59	25.9 Å²	25.9	28%	0.276	14%	0.141	S	C	.	.			trans	-110.4	139.9	175.8	-60.6	-164.9	90.6	0	0	112.2	N231 G238 E239	N231-E236 HydrophobicContact CB-CG 4.39Å; N231-E236 WeakPolarHBondContact CB-OE2 3.46Å; N231-E236 PolarHBondContact ND2-OE1 3.01Å; N231-E236 PolarHBondContact ND2-OE2 2.9Å; E236-G238 PolarHBondContact O-N 3.5Å; E236-G238 VanDerWaalsContact O-N 3.08Å; E236-E239 HydrophobicContact CB-CB 3.95Å; E236-E239 VanDerWaalsContact O-CB 3.3Å; E236-E239 WeakPolarHBondContact O-CB 3.44Å; E236-E239 PolarHBondContact O-N 3.44Å
237	L	95.6	Very high	97.4	Very high	84 Å²	84	26 Å²	26	44%	0.44	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	117.2	-175.6	-178.2	75.9	0	0	0	111.7	E239 V516 D545 D547	L237-E239 VanDerWaalsContact C-N 3.29Å; L237-V516 HydrophobicContact CD1-CG1 4.05Å; L237-V516 HydrophobicContact CD1-CG2 4.01Å; L237-V516 HydrophobicContact CD2-CG2 4.19Å; L237-V516 HydrophobicContact CG-CG2 4.12Å; L237-D545 HydrophobicContact CD1-CB 3.69Å; L237-D547 HydrophobicContact CD1-CB 3.78Å
238	G	94.3	Very high	97.3	Very high	17 Å²	17	26 Å²	26	18%	0.175	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	1	178.7	0	0	0	0	0	115	E236 P240 K514 D547 W549	E236-G238 PolarHBondContact O-N 3.5Å; E236-G238 VanDerWaalsContact O-N 3.08Å; G238-P240 WeakPolarHBondContact O-CD 3.34Å; G238-K514 PolarHBondContact O-NZ 2.86Å; G238-D547 PolarHBondContact N-OD2 3.22Å; G238-W549 PolarHBondContact O-NE1 2.83Å
239	E	97.4	Very high	97.3	Very high	11 Å²	11	26.1 Å²	26.1	5%	0.051	14%	0.143	C	C	.	.			trans	-83.8	111.8	169.2	-169.5	-167.8	-154.2	0	0	109	S229 H235 E236 L237 R285 W549	S229-E239 PolarHBondContact OG-OE1 3.17Å; H235-E239 PolarHBondContact CE1-O 3.3Å; H235-E239 VanDerWaalsContact CE1-O 3.27Å; E236-E239 HydrophobicContact CB-CB 3.95Å; E236-E239 VanDerWaalsContact O-CB 3.3Å; E236-E239 WeakPolarHBondContact O-CB 3.44Å; E236-E239 PolarHBondContact O-N 3.44Å; L237-E239 VanDerWaalsContact C-N 3.29Å; E239-R285 HydrophobicContact CG-CB 4.47Å; E239-R285 PolarHBondContact OE1-N 2.78Å; E239-W549 WeakPolarHBondContact O-CZ2 3.44Å
240	P	97.8	Very high	97.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.144	C	C	.	.			trans	-70.1	150	178.7	31	-37.8	0	0	0	112.6	G238 E283 R285 A381 I509 W549	G238-P240 WeakPolarHBondContact O-CD 3.34Å; P240-E283 VanDerWaalsContact CD-O 3.31Å; P240-E283 WeakPolarHBondContact CD-O 2.94Å; P240-R285 PolarHBondContact O-N 3.48Å; P240-R285 VanDerWaalsContact O-N 3.08Å; P240-A381 HydrophobicContact CB-CB 4.48Å; P240-I509 HydrophobicContact CB-CD1 3.63Å; P240-I509 HydrophobicContact CB-CG1 3.75Å; P240-I509 HydrophobicContact CG-CD1 4.1Å; P240-I509 HydrophobicContact CG-CG1 4.05Å; P240-I509 HydrophobicContact CG-CG2 4.18Å; P240-W549 HydrophobicContact CB-CD2 4.09Å; P240-W549 HydrophobicContact CB-CG 4.04Å
241	E	98.6	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122	177	-55.9	-78.9	-178.1	0	0	109.9	H235 R285 H287 I378 P379 F380 A381 I509	H235-E241 IonicContact CE1-OE1 2.78Å; H235-E241 IonicContact CG-OE1 2.7Å; H235-E241 IonicContact ND1-OE1 3Å; H235-E241 PolarHBondContact ND1-OE1 3.48Å; E241-R285 WeakPolarHBondContact CA-O 3.5Å; E241-R285 WeakPolarHBondContact OE1-CD 3.48Å; E241-R285 IonicContact OE1-CZ 3.67Å; E241-R285 IonicContact OE1-NH1 3.14Å; E241-R285 PolarHBondContact OE1-NH1 2.95Å; E241-R285 VanDerWaalsContact OE2-CB 3.25Å; E241-R285 WeakPolarHBondContact OE2-CB 3.44Å; E241-R285 VanDerWaalsContact OE2-CD 3.25Å; E241-R285 WeakPolarHBondContact OE2-CD 3.42Å; E241-R285 WeakPolarHBondContact OE2-CG 3.39Å; E241-R285 IonicContact OE2-CZ 3.82Å; E241-R285 IonicContact OE2-NE 3.52Å; E241-R285 IonicContact OE2-NH1 3.83Å; E241-R285 PolarHBondContact OE2-NH1 2.93Å; E241-H287 IonicContact OE2-CD2 3.84Å; E241-H287 IonicContact OE2-NE2 3.85Å; E241-H287 PolarHBondContact OE2-NE2 3.49Å; E241-I378 HydrophobicContact CB-CG2 3.88Å; E241-I378 HydrophobicContact CG-CG2 3.84Å; E241-P379 HydrophobicContact CG-CG 3.88Å; E241-F380 HydrophobicContact CB-CD1 3.99Å; E241-F380 HydrophobicContact CB-CE1 4.44Å; E241-F380 WeakPolarHBondContact O-CA 3.17Å; E241-A381 PolarHBondContact O-N 3.24Å; E241-I509 WeakPolarHBondContact O-CD1 3.04Å
242	F	98.8	Very high	97.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	147.5	179	-179.7	-88	0	0	0	111.4	Y244 T284 R285 I286 H287 L382 Y505 M506 I509	F242-Y244 HydrophobicContact CE1-CD1 4.09Å; F242-Y244 AromaticContact CE1-CD2 3.47Å; F242-Y244 HydrophobicContact CE1-CD2 3.47Å; F242-Y244 VanDerWaalsContact CE1-CD2 3.47Å; F242-Y244 HydrophobicContact CE1-CE1 4.25Å; F242-Y244 AromaticContact CE1-CE2 3.66Å; F242-Y244 HydrophobicContact CE1-CE2 3.66Å; F242-Y244 AromaticContact CE1-CG 3.69Å; F242-Y244 HydrophobicContact CE1-CG 3.69Å; F242-Y244 AromaticContact CZ-CD1 3.88Å; F242-Y244 HydrophobicContact CZ-CD1 3.88Å; F242-Y244 AromaticContact CZ-CD2 3.89Å; F242-Y244 HydrophobicContact CZ-CD2 3.89Å; F242-Y244 AromaticContact CZ-CE1 3.68Å; F242-Y244 HydrophobicContact CZ-CE1 3.68Å; F242-Y244 AromaticContact CZ-CE2 3.68Å; F242-Y244 HydrophobicContact CZ-CE2 3.68Å; F242-Y244 AromaticContact CZ-CG 3.97Å; F242-Y244 HydrophobicContact CZ-CG 3.97Å; F242-Y244 AromaticContact CZ-CZ 3.57Å; F242-T284 HydrophobicContact CB-CG2 3.58Å; F242-R285 PolarHBondContact N-O 2.61Å; F242-I286 HydrophobicContact CD1-CG2 4.11Å; F242-H287 PolarHBondContact O-N 2.98Å; F242-L382 WeakPolarHBondContact CA-O 3.34Å; F242-L382 HydrophobicContact CD2-CB 4.09Å; F242-L382 HydrophobicContact CD2-CD2 4.15Å; F242-L382 HydrophobicContact CD2-CG 4.11Å; F242-L382 WeakPolarHBondContact CD2-O 3.4Å; F242-L382 HydrophobicContact CE2-CB 4.4Å; F242-L382 HydrophobicContact CE2-CD2 3.96Å; F242-L382 HydrophobicContact CE2-CG 3.93Å; F242-Y505 AromaticContact CE2-CD1 3.91Å; F242-Y505 HydrophobicContact CE2-CD1 3.91Å; F242-Y505 AromaticContact CE2-CE1 3.83Å; F242-Y505 HydrophobicContact CE2-CE1 3.83Å; F242-Y505 AromaticContact CZ-CD1 3.96Å; F242-Y505 HydrophobicContact CZ-CD1 3.96Å; F242-Y505 HydrophobicContact CZ-CE1 4.04Å; F242-M506 HydrophobicContact CD1-CG 3.75Å; F242-M506 HydrophobicContact CD1-SD 4.01Å; F242-M506 HydrophobicContact CD2-CG 4.15Å; F242-M506 HydrophobicContact CE1-CG 3.34Å; F242-M506 HydrophobicContact CE1-SD 3.83Å; F242-M506 HydrophobicContact CE2-CB 4.34Å; F242-M506 HydrophobicContact CE2-CG 3.77Å; F242-M506 HydrophobicContact CG-CG 4.16Å; F242-M506 HydrophobicContact CZ-CB 4.37Å; F242-M506 HydrophobicContact CZ-CG 3.36Å; F242-M506 HydrophobicContact CZ-SD 4.43Å; F242-I509 HydrophobicContact CB-CD1 3.64Å; F242-I509 HydrophobicContact CD2-CD1 4.14Å; F242-I509 HydrophobicContact CG-CD1 4.4Å
243	R	98.7	Very high	97.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	144.5	167.5	63.6	-175.6	-179	117.6	8.6	116.7	H287 W374 M375 F380 L382 G383 A384 S467 E475	R243-H287 CarbonylContact C-O 3.53Å; R243-H287 WeakPolarHBondContact CA-O 3.4Å; R243-H287 HydrophobicContact CB-CB 4.39Å; R243-W374 HydrophobicContact CB-CH2 3.86Å; R243-W374 HydrophobicContact CB-CZ2 4.32Å; R243-W374 HydrophobicContact CG-CH2 4.49Å; R243-M375 VanDerWaalsContact NH1-CE 3.27Å; R243-F380 HydrophobicContact CB-CD1 3.81Å; R243-F380 HydrophobicContact CB-CE1 3.59Å; R243-F380 HydrophobicContact CB-CZ 4.15Å; R243-F380 HydrophobicContact CG-CD1 3.8Å; R243-F380 HydrophobicContact CG-CE1 4.03Å; R243-F380 HydrophobicContact CG-CG 4.08Å; R243-F380 HydrophobicContact CG-CZ 4.49Å; R243-L382 PolarHBondContact N-O 3.07Å; R243-G383 CarbonylContact O-C 3.55Å; R243-G383 WeakPolarHBondContact O-CA 3.5Å; R243-A384 PolarHBondContact O-N 2.76Å; R243-S467 PolarHBondContact NH2-OG 3.06Å; R243-E475 IonicContact CZ-OE1 3.89Å; R243-E475 IonicContact CZ-OE2 3.19Å; R243-E475 IonicContact NE-OE2 2.8Å; R243-E475 IonicContact NH1-OE2 3.56Å; R243-E475 PolarHBondContact NH1-OE2 2.65Å; R243-E475 IonicContact NH2-OE1 2.69Å; R243-E475 PolarHBondContact NH2-OE1 3.04Å; R243-E475 VanDerWaalsContact NH2-OE1 3.07Å; R243-E475 IonicContact NH2-OE2 3.98Å; R243-E475 PolarHBondContact NH2-OE2 3.22Å
244	Y	98.9	Very high	97.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	136.5	156.7	-79.9	-51.8	0	0	0	110.8	F242 L259 L262 H287 L288 L289 A384 L386 L502 Y505 M506	F242-Y244 HydrophobicContact CE1-CD1 4.09Å; F242-Y244 AromaticContact CE1-CD2 3.47Å; F242-Y244 HydrophobicContact CE1-CD2 3.47Å; F242-Y244 VanDerWaalsContact CE1-CD2 3.47Å; F242-Y244 HydrophobicContact CE1-CE1 4.25Å; F242-Y244 AromaticContact CE1-CE2 3.66Å; F242-Y244 HydrophobicContact CE1-CE2 3.66Å; F242-Y244 AromaticContact CE1-CG 3.69Å; F242-Y244 HydrophobicContact CE1-CG 3.69Å; F242-Y244 AromaticContact CZ-CD1 3.88Å; F242-Y244 HydrophobicContact CZ-CD1 3.88Å; F242-Y244 AromaticContact CZ-CD2 3.89Å; F242-Y244 HydrophobicContact CZ-CD2 3.89Å; F242-Y244 AromaticContact CZ-CE1 3.68Å; F242-Y244 HydrophobicContact CZ-CE1 3.68Å; F242-Y244 AromaticContact CZ-CE2 3.68Å; F242-Y244 HydrophobicContact CZ-CE2 3.68Å; F242-Y244 AromaticContact CZ-CG 3.97Å; F242-Y244 HydrophobicContact CZ-CG 3.97Å; F242-Y244 AromaticContact CZ-CZ 3.57Å; Y244-L259 HydrophobicContact CD2-CD2 3.93Å; Y244-L259 HydrophobicContact CG-CD2 4.01Å; Y244-L262 HydrophobicContact CD2-CD2 4.2Å; Y244-L262 HydrophobicContact CE2-CD2 4.35Å; Y244-H287 PolarHBondContact N-O 3.23Å; Y244-L288 HydrophobicContact CD2-CD2 3.9Å; Y244-L288 HydrophobicContact CG-CD2 4.37Å; Y244-L289 PolarHBondContact O-N 2.85Å; Y244-A384 WeakPolarHBondContact CA-O 3.08Å; Y244-A384 HydrophobicContact CD1-CB 3.78Å; Y244-A384 HydrophobicContact CE1-CB 3.57Å; Y244-L386 HydrophobicContact CD1-CD2 4.31Å; Y244-L386 HydrophobicContact CD1-CG 4.48Å; Y244-L386 HydrophobicContact CE1-CD2 4.37Å; Y244-L502 HydrophobicContact CD2-CD2 4.28Å; Y244-L502 HydrophobicContact CE1-CD2 4.31Å; Y244-L502 HydrophobicContact CE2-CB 4.32Å; Y244-L502 HydrophobicContact CE2-CD2 3.67Å; Y244-L502 WeakPolarHBondContact OH-CA 3.39Å; Y244-L502 PolarHBondContact OH-O 3.08Å; Y244-L502 VanDerWaalsContact OH-O 3.07Å; Y244-Y505 AromaticContact CE1-CD1 3.83Å; Y244-Y505 HydrophobicContact CE1-CD1 3.83Å; Y244-Y505 HydrophobicContact CE1-CE1 4.13Å; Y244-Y505 AromaticContact CZ-CD1 3.8Å; Y244-Y505 WeakPolarHBondContact OH-CB 3.44Å; Y244-Y505 WeakPolarHBondContact OH-CD1 3.28Å; Y244-M506 HydrophobicContact CD2-CG 4.45Å; Y244-M506 HydrophobicContact CD2-SD 4.34Å; Y244-M506 HydrophobicContact CE2-CE 4.35Å; Y244-M506 HydrophobicContact CE2-CG 3.69Å; Y244-M506 HydrophobicContact CE2-SD 3.95Å
245	V	98.9	Very high	97.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.4	172.3	-178.7	0	0	0	0	108.5	L289 M292 W374 A384 N385 L386 M463	V245-L289 HydrophobicContact CG1-CD2 4.06Å; V245-L289 HydrophobicContact CG1-CG 4.46Å; V245-L289 HydrophobicContact CG2-CB 4.44Å; V245-L289 HydrophobicContact CG2-CD2 4.42Å; V245-M292 HydrophobicContact CG1-CB 4.19Å; V245-M292 HydrophobicContact CG1-SD 4.37Å; V245-W374 HydrophobicContact CG2-CH2 4.29Å; V245-W374 HydrophobicContact CG2-CZ3 3.79Å; V245-A384 PolarHBondContact N-O 3.46Å; V245-N385 CarbonylContact O-C 3.55Å; V245-N385 WeakPolarHBondContact O-CA 3.34Å; V245-N385 PolarHBondContact O-OD1 3.38Å; V245-L386 PolarHBondContact O-N 2.98Å; V245-M463 HydrophobicContact CB-CE 3.99Å; V245-M463 HydrophobicContact CG1-CE 4.07Å; V245-M463 HydrophobicContact CG2-CE 4.24Å
246	A	98.6	Very high	97.8	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	164.7	174.3	0	0	0	0	0	111.6	M248 G255 L259 L289 P290 S291 M292 L386	A246-M248 VanDerWaalsContact C-N 3.3Å; A246-M248 PolarHBondContact O-N 3.46Å; A246-G255 VanDerWaalsContact CB-C 3.41Å; A246-L259 HydrophobicContact CB-CD1 3.67Å; A246-L259 HydrophobicContact CB-CG 4.17Å; A246-L289 PolarHBondContact N-O 2.75Å; A246-P290 CarbonylContact O-C 3.6Å; A246-S291 VanDerWaalsContact O-CA 3.3Å; A246-S291 WeakPolarHBondContact O-CA 3.33Å; A246-S291 PolarHBondContact O-N 2.84Å; A246-M292 PolarHBondContact O-N 3.48Å; A246-L386 HydrophobicContact CB-CB 4.02Å; A246-L386 HydrophobicContact CB-CD1 4.44Å
247	G	97.3	Very high	97.9	Very high	4 Å²	4	6.2 Å²	6.2	4%	0.041	4%	0.038	C	C	.	.			trans	63.5	35.8	175.2	0	0	0	0	0	112.6	H249 N293	G247-H249 VanDerWaalsContact C-N 3.29Å; G247-H249 CarbonylContact C-O 3.53Å; G247-N293 WeakPolarHBondContact O-CA 3.47Å; G247-N293 WeakPolarHBondContact O-CB 3.33Å; G247-N293 PolarHBondContact O-N 3.48Å
248	M	97.4	Very high	98.1	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	2%	0.017	C	C	.	.	S	Bend	trans	-63.4	-39.8	166.2	-179.2	-172.9	-67	0	0	110.3	A246 M292 N293 M322 N323 F326 N385 M463	A246-M248 VanDerWaalsContact C-N 3.3Å; A246-M248 PolarHBondContact O-N 3.46Å; M248-M292 HydrophobicContact CB-SD 4.09Å; M248-M292 HydrophobicContact CE-SD 3.81Å; M248-M292 HydrophobicContact CG-SD 3.86Å; M248-N293 VanDerWaalsContact O-CB 3.31Å; M248-N293 WeakPolarHBondContact O-CB 3.36Å; M248-N293 PolarHBondContact O-ND2 3.17Å; M248-M322 HydrophobicContact CG-CB 3.66Å; M248-M322 WeakPolarHBondContact O-CE 3.38Å; M248-M322 HydrophobicContact SD-CB 4.31Å; M248-N323 VanDerWaalsContact SD-CA 3.56Å; M248-N323 HydrophobicContact SD-CB 3.49Å; M248-N323 WeakPolarHBondContact SD-CB 3.48Å; M248-F326 HydrophobicContact CE-CE2 4.22Å; M248-N385 VanDerWaalsContact CE-ND2 3.32Å; M248-N385 WeakPolarHBondContact CE-ND2 3.33Å; M248-M463 HydrophobicContact CE-CB 3.66Å; M248-M463 HydrophobicContact CE-CE 3.5Å; M248-M463 VanDerWaalsContact CE-CE 3.5Å; M248-M463 HydrophobicContact CE-CG 4.16Å; M248-M463 HydrophobicContact CE-SD 3.53Å; M248-M463 VanDerWaalsContact CE-SD 3.53Å
249	H	98.4	Very high	98.3	Very high	3 Å²	3	1.5 Å²	1.5	1%	0.014	1%	0.009	C	C	.	.	S	Bend	trans	-93.6	124	159.3	-58.6	128.7	0	0	0	109.1	G247 N251 E252 R314 D321 H387	G247-H249 VanDerWaalsContact C-N 3.29Å; G247-H249 CarbonylContact C-O 3.53Å; H249-N251 VanDerWaalsContact C-N 3.26Å; H249-N251 PolarHBondContact O-N 3.09Å; H249-E252 HydrophobicContact CB-CB 4.04Å; H249-E252 VanDerWaalsContact CB-CD 3.41Å; H249-E252 HydrophobicContact CB-CG 3.8Å; H249-E252 IonicContact CE1-OE1 2.67Å; H249-E252 IonicContact CG-OE1 3.65Å; H249-E252 IonicContact CG-OE2 3.83Å; H249-E252 IonicContact ND1-OE1 3.57Å; H249-E252 PolarHBondContact ND1-OE1 3.2Å; H249-E252 IonicContact ND1-OE2 3.29Å; H249-E252 PolarHBondContact ND1-OE2 2.82Å; H249-E252 PolarHBondContact O-N 2.89Å; H249-E252 VanDerWaalsContact O-N 3.14Å; H249-R314 WeakPolarHBondContact CA-O 3.46Å; H249-R314 HydrophobicContact CB-CG 4.01Å; H249-R314 PolarHBondContact CE1-NH1 2.9Å; H249-R314 VanDerWaalsContact CE1-NH1 3.26Å; H249-R314 PolarHBondContact CE1-NH2 3.13Å; H249-R314 PolarHBondContact ND1-NH1 2.99Å; H249-R314 VanDerWaalsContact NE2-CZ 3.3Å; H249-R314 PolarHBondContact NE2-NH2 3.43Å; H249-D321 IonicContact NE2-OD1 3.3Å; H249-D321 PolarHBondContact NE2-OD1 3.23Å; H249-D321 IonicContact NE2-OD2 3.63Å; H249-H387 AromaticContact CE1-CE1 3.42Å; H249-H387 PolarHBondContact CE1-CE1 3.42Å; H249-H387 VanDerWaalsContact CE1-CE1 3.42Å; H249-H387 AromaticContact CE1-ND1 3.87Å; H249-H387 AromaticContact ND1-CE1 3.53Å; H249-H387 AromaticContact ND1-ND1 3.72Å
250	G	97.4	Very high	98.4	Very high	2 Å²	2	1 Å²	1	2%	0.021	1%	0.006	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.8	-173.2	0	0	0	0	0	114	Y297 G313	G250-Y297 WeakPolarHBondContact O-CA 3.22Å; G250-Y297 WeakPolarHBondContact O-CD2 3.48Å; G250-G313 CarbonylContact C-O 3.47Å; G250-G313 WeakPolarHBondContact CA-O 3.47Å; G250-G313 PolarHBondContact N-O 3.47Å
251	N	97.6	Very high	98.4	Very high	1 Å²	1	1 Å²	1	1%	0.005	1%	0.007	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-0.9	175.7	68.6	-32.2	0	0	0	114.4	H249 V253 A300 W310 L312 G313 R314 K484	H249-N251 VanDerWaalsContact C-N 3.26Å; H249-N251 PolarHBondContact O-N 3.09Å; N251-V253 PolarHBondContact O-N 3.2Å; N251-A300 HydrophobicContact CB-CB 3.93Å; N251-W310 PolarHBondContact ND2-O 3.05Å; N251-L312 WeakPolarHBondContact CB-O 3.24Å; N251-G313 PolarHBondContact N-O 3.25Å; N251-R314 WeakPolarHBondContact OD1-CA 3.26Å; N251-R314 WeakPolarHBondContact OD1-CB 3.4Å; N251-R314 PolarHBondContact OD1-N 2.72Å; N251-K484 CarbonylContact O-C 3.52Å; N251-K484 VanDerWaalsContact O-C 3.29Å; N251-K484 WeakPolarHBondContact O-CB 3.25Å
252	E	98.3	Very high	98.4	Very high	4 Å²	4	1 Å²	1	2%	0.019	1%	0.007	C	C	.	.			trans	-94.7	79	174.5	-68.4	170.7	-157.2	0	0	108.2	H249 R314 H387 G388 K484	H249-E252 HydrophobicContact CB-CB 4.04Å; H249-E252 VanDerWaalsContact CB-CD 3.41Å; H249-E252 HydrophobicContact CB-CG 3.8Å; H249-E252 IonicContact CE1-OE1 2.67Å; H249-E252 IonicContact CG-OE1 3.65Å; H249-E252 IonicContact CG-OE2 3.83Å; H249-E252 IonicContact ND1-OE1 3.57Å; H249-E252 PolarHBondContact ND1-OE1 3.2Å; H249-E252 IonicContact ND1-OE2 3.29Å; H249-E252 PolarHBondContact ND1-OE2 2.82Å; H249-E252 PolarHBondContact O-N 2.89Å; H249-E252 VanDerWaalsContact O-N 3.14Å; E252-R314 IonicContact OE1-NH1 2.57Å; E252-R314 PolarHBondContact OE1-NH1 2.8Å; E252-H387 IonicContact OE2-CG 3.57Å; E252-H387 IonicContact OE2-ND1 2.71Å; E252-H387 PolarHBondContact OE2-ND1 2.75Å; E252-G388 WeakPolarHBondContact CG-O 3.4Å; E252-G388 PolarHBondContact OE2-N 3.4Å; E252-K484 CarbonylContact C-O 3.55Å; E252-K484 WeakPolarHBondContact CA-O 3.45Å; E252-K484 HydrophobicContact CG-CB 4.2Å; E252-K484 HydrophobicContact CG-CD 3.87Å; E252-K484 HydrophobicContact CG-CG 4.09Å; E252-K484 IonicContact OE1-NZ 2.91Å; E252-K484 PolarHBondContact OE1-NZ 3.3Å; E252-K484 VanDerWaalsContact OE1-NZ 3.15Å
253	V	98.2	Very high	98.4	Very high	1 Å²	1	1 Å²	1	1%	0.006	1%	0.007	C	C	.	.			trans	-84.5	-27.7	-159.5	174.8	0	0	0	0	113.4	N251 G255 R256 E257 Y297 K484 F485	N251-V253 PolarHBondContact O-N 3.2Å; V253-G255 VanDerWaalsContact C-N 3.34Å; V253-G255 PolarHBondContact O-N 2.89Å; V253-R256 WeakPolarHBondContact O-CB 3.29Å; V253-R256 PolarHBondContact O-N 2.84Å; V253-E257 HydrophobicContact CG1-CG 3.95Å; V253-E257 PolarHBondContact O-N 3.29Å; V253-Y297 HydrophobicContact CB-CE2 4.32Å; V253-Y297 HydrophobicContact CG1-CE2 3.76Å; V253-Y297 HydrophobicContact CG2-CD2 3.91Å; V253-Y297 HydrophobicContact CG2-CE2 3.72Å; V253-K484 PolarHBondContact N-O 3.31Å; V253-F485 HydrophobicContact CB-CD2 3.75Å; V253-F485 HydrophobicContact CB-CE2 4.07Å; V253-F485 HydrophobicContact CB-CG 4Å; V253-F485 HydrophobicContact CG1-CD2 3.96Å; V253-F485 HydrophobicContact CG1-CE2 3.83Å; V253-F485 HydrophobicContact CG1-CZ 4.4Å; V253-F485 HydrophobicContact CG2-CB 4.15Å; V253-F485 HydrophobicContact CG2-CD1 3.53Å; V253-F485 HydrophobicContact CG2-CD2 3.61Å; V253-F485 HydrophobicContact CG2-CE1 3.72Å; V253-F485 HydrophobicContact CG2-CE2 3.81Å; V253-F485 HydrophobicContact CG2-CG 3.47Å; V253-F485 VanDerWaalsContact CG2-CG 3.47Å; V253-F485 HydrophobicContact CG2-CZ 3.86Å
254	L	98.4	Very high	98.4	Very high	2 Å²	2	2.2 Å²	2.2	1%	0.01	1%	0.013	C	C	.	.	H	α-helix	trans	-58.3	-45	-171.5	179.8	55.9	0	0	0	112.3	R256 E257 L258 L480 S481 P486 L491 E494	L254-R256 VanDerWaalsContact C-N 3.28Å; L254-R256 PolarHBondContact O-N 3.4Å; L254-E257 PolarHBondContact O-N 3.2Å; L254-L258 HydrophobicContact CD1-CD1 4.23Å; L254-L258 HydrophobicContact CD1-CD2 4.25Å; L254-L258 HydrophobicContact CD1-CG 3.9Å; L254-L258 HydrophobicContact CG-CD1 3.98Å; L254-L258 HydrophobicContact CG-CG 4.13Å; L254-L258 WeakPolarHBondContact O-CG 3.44Å; L254-L258 PolarHBondContact O-N 3.44Å; L254-L480 HydrophobicContact CD2-CB 3.76Å; L254-L480 HydrophobicContact CG-CB 4.26Å; L254-L480 HydrophobicContact CG-CD1 4.32Å; L254-S481 WeakPolarHBondContact CD2-OG 3.42Å; L254-P486 HydrophobicContact CB-CG 4.11Å; L254-P486 HydrophobicContact CD1-CG 4.39Å; L254-L491 HydrophobicContact CD1-CD2 4.18Å; L254-E494 HydrophobicContact CD1-CB 3.54Å; L254-E494 HydrophobicContact CD1-CG 4.06Å; L254-E494 HydrophobicContact CD2-CB 4.02Å; L254-E494 HydrophobicContact CD2-CG 4.02Å; L254-E494 HydrophobicContact CG-CB 4.44Å
255	G	98.6	Very high	98.4	Very high	1 Å²	1	3.2 Å²	3.2	1%	0.01	2%	0.016	C	C	.	.	H	α-helix	trans	-57.5	-39.5	177.8	0	0	0	0	0	113.2	A246 V253 L259 L480	A246-G255 VanDerWaalsContact CB-C 3.41Å; V253-G255 VanDerWaalsContact C-N 3.34Å; V253-G255 PolarHBondContact O-N 2.89Å; G255-L259 WeakPolarHBondContact O-CG 3.18Å; G255-L259 PolarHBondContact O-N 2.83Å; G255-L480 VanDerWaalsContact CA-CD1 3.4Å
256	R	98.6	Very high	98.4	Very high	1 Å²	1	3.2 Å²	3.2	0%	0.004	2%	0.016	C	C	.	.	H	α-helix	trans	-59.3	-51.8	176.6	171.5	-167.8	-179.6	97.9	-3.8	110.9	H189 M194 V253 L254 L259 L260 P290 S291 Y297	H189-R256 PolarHBondContact O-NE 3.46Å; H189-R256 PolarHBondContact O-NH2 2.88Å; M194-R256 VanDerWaalsContact SD-CZ 3.57Å; M194-R256 PolarHBondContact SD-NH2 3.01Å; M194-R256 VanDerWaalsContact SD-NH2 3.39Å; V253-R256 WeakPolarHBondContact O-CB 3.29Å; V253-R256 PolarHBondContact O-N 2.84Å; L254-R256 VanDerWaalsContact C-N 3.28Å; L254-R256 PolarHBondContact O-N 3.4Å; R256-L259 PolarHBondContact O-N 2.81Å; R256-L260 WeakPolarHBondContact O-CG 3.29Å; R256-L260 PolarHBondContact O-N 2.56Å; R256-P290 WeakPolarHBondContact CA-O 3.2Å; R256-P290 VanDerWaalsContact CB-O 3.23Å; R256-P290 WeakPolarHBondContact CB-O 3.49Å; R256-P290 HydrophobicContact CG-CB 4.46Å; R256-P290 VanDerWaalsContact CG-O 3.29Å; R256-P290 WeakPolarHBondContact CG-O 3.43Å; R256-S291 PolarHBondContact NH1-OG 3.32Å; R256-Y297 VanDerWaalsContact CD-CE2 3.45Å
257	E	98.8	Very high	98.4	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-68.8	-38.9	-176.5	-56.3	-56.1	160.8	0	0	111.2	K187 H188 H189 V253 L254 L259 L260 N261 Y297 L491	K187-E257 VanDerWaalsContact O-OE2 3.07Å; H188-E257 WeakPolarHBondContact CA-OE1 3.39Å; H189-E257 IonicContact CE1-OE2 3.81Å; H189-E257 IonicContact CG-OE2 3.99Å; H189-E257 PolarHBondContact N-OE1 3.36Å; H189-E257 IonicContact ND1-OE2 3.03Å; H189-E257 PolarHBondContact ND1-OE2 3.06Å; V253-E257 HydrophobicContact CG1-CG 3.95Å; V253-E257 PolarHBondContact O-N 3.29Å; L254-E257 PolarHBondContact O-N 3.2Å; E257-L259 VanDerWaalsContact C-N 3.31Å; E257-L259 PolarHBondContact O-N 2.89Å; E257-L260 PolarHBondContact O-N 3.39Å; E257-L260 VanDerWaalsContact O-N 3.12Å; E257-N261 WeakPolarHBondContact O-CB 3.47Å; E257-N261 VanDerWaalsContact O-CG 3.26Å; E257-N261 PolarHBondContact O-N 3.28Å; E257-N261 PolarHBondContact O-OD1 3.03Å; E257-N261 VanDerWaalsContact O-OD1 3.09Å; E257-Y297 PolarHBondContact OE1-OH 3.14Å; E257-L491 HydrophobicContact CB-CD2 4.18Å; E257-L491 HydrophobicContact CG-CD1 4.34Å; E257-L491 HydrophobicContact CG-CD2 4.28Å
258	L	98.8	Very high	98.4	Very high	1 Å²	1	4.7 Å²	4.7	1%	0.005	2%	0.022	C	C	.	.	H	α-helix	trans	-58.2	-40.4	173.6	-71.1	-179.8	0	0	0	112.4	L254 N261 L262 L480 W495 N498 L502	L254-L258 HydrophobicContact CD1-CD1 4.23Å; L254-L258 HydrophobicContact CD1-CD2 4.25Å; L254-L258 HydrophobicContact CD1-CG 3.9Å; L254-L258 HydrophobicContact CG-CD1 3.98Å; L254-L258 HydrophobicContact CG-CG 4.13Å; L254-L258 WeakPolarHBondContact O-CG 3.44Å; L254-L258 PolarHBondContact O-N 3.44Å; L258-N261 PolarHBondContact O-N 3.49Å; L258-L262 VanDerWaalsContact O-CB 3.27Å; L258-L262 WeakPolarHBondContact O-CB 3.35Å; L258-L262 PolarHBondContact O-N 3.34Å; L258-L480 HydrophobicContact CD1-CD1 3.78Å; L258-L480 HydrophobicContact CD1-CD2 4.03Å; L258-L480 HydrophobicContact CD1-CG 4.46Å; L258-W495 HydrophobicContact CD2-CB 4.33Å; L258-W495 HydrophobicContact CD2-CE3 3.89Å; L258-N498 HydrophobicContact CD1-CB 3.74Å; L258-N498 HydrophobicContact CD2-CB 4.19Å; L258-L502 HydrophobicContact CB-CD1 4.3Å
259	L	98.9	Very high	98.4	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-68.2	-37	176.3	-67.1	-166.9	0	0	0	112.4	Y244 A246 G255 R256 E257 L262 M263 L288 P290 L386	Y244-L259 HydrophobicContact CD2-CD2 3.93Å; Y244-L259 HydrophobicContact CG-CD2 4.01Å; A246-L259 HydrophobicContact CB-CD1 3.67Å; A246-L259 HydrophobicContact CB-CG 4.17Å; G255-L259 WeakPolarHBondContact O-CG 3.18Å; G255-L259 PolarHBondContact O-N 2.83Å; R256-L259 PolarHBondContact O-N 2.81Å; E257-L259 VanDerWaalsContact C-N 3.31Å; E257-L259 PolarHBondContact O-N 2.89Å; L259-L262 HydrophobicContact CD2-CD2 4.3Å; L259-L262 PolarHBondContact O-N 3.26Å; L259-M263 HydrophobicContact CB-CE 4.48Å; L259-M263 VanDerWaalsContact O-CG 3.24Å; L259-M263 WeakPolarHBondContact O-CG 3.5Å; L259-M263 PolarHBondContact O-N 2.94Å; L259-L288 HydrophobicContact CD2-CD2 4.35Å; L259-P290 HydrophobicContact CB-CB 4.27Å; L259-L386 HydrophobicContact CD1-CD1 4.44Å; L259-L386 HydrophobicContact CD2-CD1 3.78Å; L259-L386 HydrophobicContact CG-CD1 3.97Å
260	L	98.9	Very high	98.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-66.7	-39.8	174.2	-61.9	175.6	0	0	0	111.7	H189 M194 L197 M198 R256 E257 M263 Q264 P290	H189-L260 HydrophobicContact CB-CD1 3.9Å; M194-L260 HydrophobicContact CB-CD1 4.33Å; M194-L260 HydrophobicContact CG-CD1 3.96Å; M194-L260 HydrophobicContact CG-CD2 3.69Å; M194-L260 HydrophobicContact CG-CG 4.43Å; L197-L260 HydrophobicContact CD1-CB 4.18Å; L197-L260 HydrophobicContact CD2-CB 3.97Å; L197-L260 HydrophobicContact CD2-CD2 4.07Å; M198-L260 HydrophobicContact CG-CD2 4.03Å; R256-L260 WeakPolarHBondContact O-CG 3.29Å; R256-L260 PolarHBondContact O-N 2.56Å; E257-L260 PolarHBondContact O-N 3.39Å; E257-L260 VanDerWaalsContact O-N 3.12Å; L260-M263 HydrophobicContact CD2-CE 4.28Å; L260-M263 HydrophobicContact CD2-SD 4.12Å; L260-M263 PolarHBondContact O-N 2.6Å; L260-Q264 PolarHBondContact O-N 3.05Å; L260-P290 HydrophobicContact CD2-CB 3.94Å; L260-P290 HydrophobicContact CD2-CG 4.11Å; L260-P290 HydrophobicContact CG-CB 4.26Å
261	N	98.6	Very high	98.4	Very high	2 Å²	2	14 Å²	14	1%	0.011	6%	0.061	C	C	.	.	H	α-helix	trans	-66.1	-39.9	174.2	-65.6	142.4	0	0	0	111.6	L184 D185 E257 L258 M263 Q264 Y265 W495	L184-N261 HydrophobicContact CD1-CB 3.87Å; D185-N261 PolarHBondContact O-ND2 3.27Å; E257-N261 WeakPolarHBondContact O-CB 3.47Å; E257-N261 VanDerWaalsContact O-CG 3.26Å; E257-N261 PolarHBondContact O-N 3.28Å; E257-N261 PolarHBondContact O-OD1 3.03Å; E257-N261 VanDerWaalsContact O-OD1 3.09Å; L258-N261 PolarHBondContact O-N 3.49Å; N261-M263 PolarHBondContact O-N 3.31Å; N261-Q264 PolarHBondContact O-N 2.93Å; N261-Y265 WeakPolarHBondContact O-CB 3.2Å; N261-Y265 PolarHBondContact O-N 3.13Å; N261-W495 HydrophobicContact CB-CD2 4.17Å; N261-W495 HydrophobicContact CB-CE3 3.65Å; N261-W495 HydrophobicContact CB-CZ3 3.84Å
262	L	98.8	Very high	98.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.9	-42.5	175.5	-176.7	62.9	0	0	0	111.9	Y244 L258 L259 Q264 Y265 M266 L288 W495 L503 M506	Y244-L262 HydrophobicContact CD2-CD2 4.2Å; Y244-L262 HydrophobicContact CE2-CD2 4.35Å; L258-L262 VanDerWaalsContact O-CB 3.27Å; L258-L262 WeakPolarHBondContact O-CB 3.35Å; L258-L262 PolarHBondContact O-N 3.34Å; L259-L262 HydrophobicContact CD2-CD2 4.3Å; L259-L262 PolarHBondContact O-N 3.26Å; L262-Q264 VanDerWaalsContact C-N 3.34Å; L262-Q264 PolarHBondContact O-N 2.7Å; L262-Y265 PolarHBondContact O-N 3.17Å; L262-M266 HydrophobicContact CD1-CG 3.93Å; L262-M266 HydrophobicContact CD1-SD 4.14Å; L262-M266 HydrophobicContact CG-CG 4.25Å; L262-M266 HydrophobicContact CG-SD 4.11Å; L262-M266 WeakPolarHBondContact O-CB 3.32Å; L262-M266 VanDerWaalsContact O-CG 3.31Å; L262-M266 WeakPolarHBondContact O-CG 3.45Å; L262-M266 PolarHBondContact O-N 3.21Å; L262-L288 HydrophobicContact CD2-CD1 4.08Å; L262-L288 HydrophobicContact CD2-CD2 4.24Å; L262-L288 HydrophobicContact CG-CD1 4.29Å; L262-W495 HydrophobicContact CB-CH2 4.28Å; L262-W495 HydrophobicContact CB-CZ3 4.16Å; L262-W495 HydrophobicContact CD1-CH2 4.2Å; L262-L503 HydrophobicContact CD1-CD2 4.2Å; L262-M506 HydrophobicContact CD1-CE 4.2Å; L262-M506 HydrophobicContact CD2-CE 3.94Å; L262-M506 HydrophobicContact CD2-SD 4.48Å
263	M	98.7	Very high	98.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-57.6	-46.2	175.1	-68.6	169.1	-158.2	0	0	111.8	M198 V201 M226 L259 L260 N261 C267 L288 P290	M198-M263 HydrophobicContact CE-CE 4.19Å; M198-M263 HydrophobicContact CE-SD 4.32Å; M198-M263 HydrophobicContact CG-SD 3.96Å; V201-M263 HydrophobicContact CG1-CB 4.28Å; V201-M263 WeakPolarHBondContact CG1-O 3.27Å; V201-M263 HydrophobicContact CG2-CB 4.38Å; M226-M263 HydrophobicContact CB-CE 3.72Å; M226-M263 HydrophobicContact CB-CG 3.99Å; M226-M263 HydrophobicContact CB-SD 3.66Å; M226-M263 HydrophobicContact CE-SD 4.1Å; M226-M263 HydrophobicContact CG-CG 3.95Å; M226-M263 HydrophobicContact CG-SD 4.06Å; L259-M263 HydrophobicContact CB-CE 4.48Å; L259-M263 VanDerWaalsContact O-CG 3.24Å; L259-M263 WeakPolarHBondContact O-CG 3.5Å; L259-M263 PolarHBondContact O-N 2.94Å; L260-M263 HydrophobicContact CD2-CE 4.28Å; L260-M263 HydrophobicContact CD2-SD 4.12Å; L260-M263 PolarHBondContact O-N 2.6Å; N261-M263 PolarHBondContact O-N 3.31Å; M263-C267 PolarHBondContact O-N 2.89Å; M263-L288 HydrophobicContact CE-CB 3.67Å; M263-L288 HydrophobicContact CE-CD1 4.39Å; M263-L288 HydrophobicContact CG-CD1 3.71Å; M263-P290 HydrophobicContact CE-CB 4.24Å; M263-P290 HydrophobicContact CE-CG 3.97Å
264	Q	98.6	Very high	98.4	Very high	25 Å²	25	25.2 Å²	25.2	12%	0.117	12%	0.118	C	C	.	.	H	α-helix	trans	-63.9	-49.2	176.5	-70.3	178.5	-12.5	0	0	111.3	L184 L197 V201 L260 N261 L262 M266 C267 Q268	L184-Q264 HydrophobicContact CD2-CB 3.82Å; L197-Q264 HydrophobicContact CD2-CG 4.14Å; V201-Q264 HydrophobicContact CG2-CB 4.41Å; V201-Q264 HydrophobicContact CG2-CG 3.64Å; L260-Q264 PolarHBondContact O-N 3.05Å; N261-Q264 PolarHBondContact O-N 2.93Å; L262-Q264 VanDerWaalsContact C-N 3.34Å; L262-Q264 PolarHBondContact O-N 2.7Å; Q264-M266 PolarHBondContact O-N 2.8Å; Q264-C267 PolarHBondContact O-N 3.03Å; Q264-Q268 WeakPolarHBondContact O-CB 3.27Å; Q264-Q268 VanDerWaalsContact O-CG 3.29Å; Q264-Q268 WeakPolarHBondContact O-CG 3.41Å; Q264-Q268 PolarHBondContact O-N 3.1Å
265	Y	98.6	Very high	98.4	Very high	21 Å²	21	32 Å²	32	8%	0.082	15%	0.149	C	C	.	.	H	α-helix	trans	-58.6	-48.7	-178.5	176.7	-97.1	0	0	0	111.9	N261 L262 C267 Q268 E269 I277 W495 L503	N261-Y265 WeakPolarHBondContact O-CB 3.2Å; N261-Y265 PolarHBondContact O-N 3.13Å; L262-Y265 PolarHBondContact O-N 3.17Å; Y265-C267 PolarHBondContact O-N 2.97Å; Y265-Q268 PolarHBondContact O-N 3.3Å; Y265-E269 HydrophobicContact CD1-CG 4.32Å; Y265-E269 HydrophobicContact CD2-CG 3.97Å; Y265-E269 HydrophobicContact CE1-CG 3.95Å; Y265-E269 HydrophobicContact CE2-CG 3.58Å; Y265-E269 HydrophobicContact CG-CG 4.32Å; Y265-E269 WeakPolarHBondContact O-CB 3.44Å; Y265-E269 WeakPolarHBondContact O-CG 3.16Å; Y265-E269 PolarHBondContact O-N 3.48Å; Y265-I277 HydrophobicContact CE1-CD1 4.01Å; Y265-I277 HydrophobicContact CE1-CG1 4.36Å; Y265-W495 HydrophobicContact CD1-CH2 4.37Å; Y265-W495 HydrophobicContact CD1-CZ2 4.25Å; Y265-W495 AromaticContact CD2-CZ2 3.82Å; Y265-W495 HydrophobicContact CD2-CZ2 3.82Å; Y265-W495 HydrophobicContact CG-CH2 4.06Å; Y265-W495 AromaticContact CG-CZ2 3.66Å; Y265-W495 HydrophobicContact CG-CZ2 3.66Å; Y265-L503 HydrophobicContact CE1-CD1 3.95Å
266	M	98.5	Very high	98.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-42.9	179.7	-69.7	-171	73.9	0	0	112	I228 L262 Q264 Y270 I277 L280 V281 I286 M506	I228-M266 HydrophobicContact CD1-CB 4.26Å; I228-M266 HydrophobicContact CD1-SD 4Å; I228-M266 HydrophobicContact CG2-CE 4.38Å; L262-M266 HydrophobicContact CD1-CG 3.93Å; L262-M266 HydrophobicContact CD1-SD 4.14Å; L262-M266 HydrophobicContact CG-CG 4.25Å; L262-M266 HydrophobicContact CG-SD 4.11Å; L262-M266 WeakPolarHBondContact O-CB 3.32Å; L262-M266 VanDerWaalsContact O-CG 3.31Å; L262-M266 WeakPolarHBondContact O-CG 3.45Å; L262-M266 PolarHBondContact O-N 3.21Å; Q264-M266 PolarHBondContact O-N 2.8Å; M266-Y270 WeakPolarHBondContact O-CB 3.31Å; M266-Y270 PolarHBondContact O-N 3.01Å; M266-I277 HydrophobicContact CB-CG2 4.33Å; M266-I277 HydrophobicContact CE-CG2 4.47Å; M266-L280 HydrophobicContact CE-CD2 4.1Å; M266-V281 HydrophobicContact CE-CG2 3.76Å; M266-I286 HydrophobicContact CE-CD1 3.34Å; M266-I286 HydrophobicContact SD-CD1 4.26Å; M266-M506 HydrophobicContact SD-CE 4.45Å
267	C	98.4	Very high	98.3	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.014	16%	0.162	C	C	.	.	H	α-helix	trans	-62.9	-47.4	175.6	169.7	0	0	0	0	112.1	V201 C205 M263 Q264 Y265 K271	V201-C267 HydrophobicContact CG1-CB 3.92Å; C205-C267 HydrophobicContact CB-CB 3.85Å; C205-C267 WeakPolarHBondContact CB-SG 3.12Å; C205-C267 WeakPolarHBondContact SG-CA 3.28Å; C205-C267 WeakPolarHBondContact SG-CB 3.45Å; C205-C267 PolarHBondContact SG-O 3.42Å; C205-C267 CovalentContact SG-SG 2.04Å; C205-C267 PolarHBondContact SG-SG 3.29Å; M263-C267 PolarHBondContact O-N 2.89Å; Q264-C267 PolarHBondContact O-N 3.03Å; Y265-C267 PolarHBondContact O-N 2.97Å; C267-K271 WeakPolarHBondContact O-CG 3.49Å; C267-K271 PolarHBondContact O-N 3.06Å; C267-K271 VanDerWaalsContact O-N 3.08Å
268	Q	97.9	Very high	98.3	Very high	32 Å²	32	36.3 Å²	36.3	15%	0.15	17%	0.168	C	C	.	.	H	α-helix	trans	-62.8	-46.8	-179.9	-70.8	179.1	15.8	0	0	112	K183 Q264 Y265 K271 R272	K183-Q268 PolarHBondContact O-NE2 3.48Å; Q264-Q268 WeakPolarHBondContact O-CB 3.27Å; Q264-Q268 VanDerWaalsContact O-CG 3.29Å; Q264-Q268 WeakPolarHBondContact O-CG 3.41Å; Q264-Q268 PolarHBondContact O-N 3.1Å; Y265-Q268 PolarHBondContact O-N 3.3Å; Q268-K271 PolarHBondContact O-N 2.85Å; Q268-R272 WeakPolarHBondContact O-CG 3.43Å; Q268-R272 PolarHBondContact O-N 3.38Å
269	E	98.2	Very high	98.2	Very high	20 Å²	20	39.5 Å²	39.5	9%	0.093	18%	0.182	C	C	.	.	H	α-helix	trans	-71.2	-35.2	-178.8	-73	-57.7	117	0	0	112.7	Y265 R272 G273 N274 I277	Y265-E269 HydrophobicContact CD1-CG 4.32Å; Y265-E269 HydrophobicContact CD2-CG 3.97Å; Y265-E269 HydrophobicContact CE1-CG 3.95Å; Y265-E269 HydrophobicContact CE2-CG 3.58Å; Y265-E269 HydrophobicContact CG-CG 4.32Å; Y265-E269 WeakPolarHBondContact O-CB 3.44Å; Y265-E269 WeakPolarHBondContact O-CG 3.16Å; Y265-E269 PolarHBondContact O-N 3.48Å; E269-R272 PolarHBondContact O-N 3.35Å; E269-R272 VanDerWaalsContact OE1-CD 3.26Å; E269-R272 WeakPolarHBondContact OE1-CD 3.43Å; E269-R272 IonicContact OE1-CZ 3.05Å; E269-R272 IonicContact OE1-NE 3.93Å; E269-R272 IonicContact OE1-NH1 3.59Å; E269-R272 PolarHBondContact OE1-NH1 3.31Å; E269-G273 PolarHBondContact O-N 3.27Å; E269-G273 VanDerWaalsContact O-N 3.15Å; E269-N274 HydrophobicContact CB-CB 4.02Å; E269-N274 WeakPolarHBondContact O-CB 3.36Å; E269-N274 PolarHBondContact O-N 3.46Å; E269-N274 WeakPolarHBondContact OE2-CB 3.06Å; E269-N274 PolarHBondContact OE2-ND2 2.87Å; E269-I277 HydrophobicContact CB-CB 4.19Å; E269-I277 HydrophobicContact CB-CG1 3.78Å; E269-I277 HydrophobicContact CB-CG2 4.3Å
270	Y	98.2	Very high	98.1	Very high	60 Å²	60	39.6 Å²	39.6	24%	0.235	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-46.3	171.3	-175.1	-87.3	0	0	0	111.1	I208 M266 R272 G273 V278 V281	I208-Y270 HydrophobicContact CD1-CD1 3.68Å; I208-Y270 HydrophobicContact CD1-CD2 4.01Å; I208-Y270 HydrophobicContact CD1-CE1 4.18Å; I208-Y270 HydrophobicContact CD1-CE2 4.46Å; I208-Y270 HydrophobicContact CD1-CG 3.6Å; I208-Y270 HydrophobicContact CG1-CD1 4.48Å; I208-Y270 HydrophobicContact CG2-CD1 4.35Å; I208-Y270 HydrophobicContact CG2-CE1 3.7Å; I208-Y270 HydrophobicContact CG2-CE2 4.14Å; M266-Y270 WeakPolarHBondContact O-CB 3.31Å; M266-Y270 PolarHBondContact O-N 3.01Å; Y270-R272 VanDerWaalsContact C-N 3.28Å; Y270-R272 PolarHBondContact O-N 2.85Å; Y270-G273 PolarHBondContact O-N 3.27Å; Y270-V278 HydrophobicContact CD2-CB 4.41Å; Y270-V278 HydrophobicContact CD2-CG2 3.9Å; Y270-V278 HydrophobicContact CE2-CB 4.44Å; Y270-V278 HydrophobicContact CE2-CG1 4.39Å; Y270-V278 HydrophobicContact CE2-CG2 4.16Å; Y270-V278 HydrophobicContact CG-CG2 4.43Å; Y270-V281 HydrophobicContact CD2-CB 4.01Å; Y270-V281 HydrophobicContact CD2-CG1 4.03Å; Y270-V281 HydrophobicContact CD2-CG2 4.11Å; Y270-V281 HydrophobicContact CE2-CB 4.04Å; Y270-V281 HydrophobicContact CE2-CG1 3.79Å
271	K	97.5	Very high	98.1	Very high	120 Å²	120	39.6 Å²	39.6	52%	0.522	18%	0.183	S	C	.	.	H	α-helix	trans	-64.3	-30.9	176.7	-75	175.5	62.7	-179.5	0	113.2	E204 C205 C267 Q268 G273	E204-K271 HydrophobicContact CG-CD 4.03Å; E204-K271 IonicContact OE1-NZ 3.86Å; E204-K271 PolarHBondContact OE1-NZ 3.35Å; C205-K271 VanDerWaalsContact SG-CD 3.57Å; C267-K271 WeakPolarHBondContact O-CG 3.49Å; C267-K271 PolarHBondContact O-N 3.06Å; C267-K271 VanDerWaalsContact O-N 3.08Å; Q268-K271 PolarHBondContact O-N 2.85Å; K271-G273 PolarHBondContact O-N 3.17Å
272	R	97.4	Very high	98	Very high	156 Å²	156	44.7 Å²	44.7	59%	0.589	21%	0.205	S	C	*	.	H	α-helix	trans	-74.8	-10.6	173.4	-71.2	170.1	-176.5	175.6	5.4	112.8	Q268 E269 Y270	Q268-R272 WeakPolarHBondContact O-CG 3.43Å; Q268-R272 PolarHBondContact O-N 3.38Å; E269-R272 PolarHBondContact O-N 3.35Å; E269-R272 VanDerWaalsContact OE1-CD 3.26Å; E269-R272 WeakPolarHBondContact OE1-CD 3.43Å; E269-R272 IonicContact OE1-CZ 3.05Å; E269-R272 IonicContact OE1-NE 3.93Å; E269-R272 IonicContact OE1-NH1 3.59Å; E269-R272 PolarHBondContact OE1-NH1 3.31Å; Y270-R272 VanDerWaalsContact C-N 3.28Å; Y270-R272 PolarHBondContact O-N 2.85Å
273	G	97.7	Very high	97.9	Very high	35 Å²	35	47.9 Å²	47.9	36%	0.361	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	25	-178.7	0	0	0	0	0	113.6	E269 Y270 K271 Q275	E269-G273 PolarHBondContact O-N 3.27Å; E269-G273 VanDerWaalsContact O-N 3.15Å; Y270-G273 PolarHBondContact O-N 3.27Å; K271-G273 PolarHBondContact O-N 3.17Å; G273-Q275 PolarHBondContact O-N 3.43Å; G273-Q275 VanDerWaalsContact O-N 3.1Å; G273-Q275 PolarHBondContact O-NE2 3.48Å
274	N	98.1	Very high	97.9	Very high	51 Å²	51	47.9 Å²	47.9	27%	0.273	22%	0.22	S	C	.	.			trans	-60.7	113.1	174	-176.3	-35.4	0	0	0	109.5	E269 R276 I277 V278	E269-N274 HydrophobicContact CB-CB 4.02Å; E269-N274 WeakPolarHBondContact O-CB 3.36Å; E269-N274 PolarHBondContact O-N 3.46Å; E269-N274 WeakPolarHBondContact OE2-CB 3.06Å; E269-N274 PolarHBondContact OE2-ND2 2.87Å; N274-R276 VanDerWaalsContact C-N 3.25Å; N274-R276 PolarHBondContact O-N 3.02Å; N274-R276 WeakPolarHBondContact OD1-CB 3.23Å; N274-R276 PolarHBondContact OD1-N 2.87Å; N274-R276 VanDerWaalsContact OD1-N 3.13Å; N274-I277 HydrophobicContact CB-CB 4.48Å; N274-I277 HydrophobicContact CB-CG1 4.45Å; N274-I277 PolarHBondContact O-N 3.4Å; N274-I277 VanDerWaalsContact O-N 3.17Å; N274-V278 WeakPolarHBondContact O-CG2 3.23Å; N274-V278 PolarHBondContact O-N 2.81Å
275	Q	97.9	Very high	97.9	Very high	144 Å²	144	47.3 Å²	47.3	67%	0.673	22%	0.217	S	C	*	.	H	α-helix	trans	-61.2	-33.1	-170.8	-66.1	-57.2	-64.1	0	0	113.2	G273 H279	G273-Q275 PolarHBondContact O-N 3.43Å; G273-Q275 VanDerWaalsContact O-N 3.1Å; G273-Q275 PolarHBondContact O-NE2 3.48Å; Q275-H279 WeakPolarHBondContact O-CB 3.28Å; Q275-H279 PolarHBondContact O-N 2.86Å
276	R	97.3	Very high	97.9	Very high	74 Å²	74	46.3 Å²	46.3	28%	0.279	21%	0.213	S	C	.	.	H	α-helix	trans	-62	-49.6	177.4	-173.9	-176.6	-178.5	178	9.6	110.9	N274 H279 L280 E500 E507	N274-R276 VanDerWaalsContact C-N 3.25Å; N274-R276 PolarHBondContact O-N 3.02Å; N274-R276 WeakPolarHBondContact OD1-CB 3.23Å; N274-R276 PolarHBondContact OD1-N 2.87Å; N274-R276 VanDerWaalsContact OD1-N 3.13Å; R276-H279 PolarHBondContact O-N 3.12Å; R276-L280 WeakPolarHBondContact O-CB 3.4Å; R276-L280 PolarHBondContact O-N 2.85Å; R276-E500 IonicContact CZ-OE1 3.7Å; R276-E500 VanDerWaalsContact CZ-OE1 3.27Å; R276-E500 IonicContact CZ-OE2 2.74Å; R276-E500 IonicContact NH1-OE1 2.85Å; R276-E500 PolarHBondContact NH1-OE1 3.32Å; R276-E500 IonicContact NH1-OE2 3.97Å; R276-E500 PolarHBondContact NH1-OE2 3.05Å; R276-E500 IonicContact NH2-OE1 2.77Å; R276-E500 PolarHBondContact NH2-OE1 2.74Å; R276-E507 WeakPolarHBondContact CG-OE1 3.22Å; R276-E507 IonicContact CZ-OE1 3.67Å; R276-E507 IonicContact CZ-OE2 3.55Å; R276-E507 IonicContact NE-OE1 3.7Å; R276-E507 PolarHBondContact NE-OE1 2.86Å; R276-E507 IonicContact NE-OE2 3.17Å; R276-E507 IonicContact NH2-OE1 3.88Å; R276-E507 PolarHBondContact NH2-OE1 2.89Å; R276-E507 IonicContact NH2-OE2 3.53Å; R276-E507 PolarHBondContact NH2-OE2 2.95Å
277	I	98.4	Very high	97.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-71.9	-40	-179.6	-58.3	-56.1	0	0	0	111.5	Y265 M266 E269 N274 H279 L280 V281 L503	Y265-I277 HydrophobicContact CE1-CD1 4.01Å; Y265-I277 HydrophobicContact CE1-CG1 4.36Å; M266-I277 HydrophobicContact CB-CG2 4.33Å; M266-I277 HydrophobicContact CE-CG2 4.47Å; E269-I277 HydrophobicContact CB-CB 4.19Å; E269-I277 HydrophobicContact CB-CG1 3.78Å; E269-I277 HydrophobicContact CB-CG2 4.3Å; N274-I277 HydrophobicContact CB-CB 4.48Å; N274-I277 HydrophobicContact CB-CG1 4.45Å; N274-I277 PolarHBondContact O-N 3.4Å; N274-I277 VanDerWaalsContact O-N 3.17Å; I277-H279 VanDerWaalsContact C-N 3.3Å; I277-H279 PolarHBondContact O-N 3.2Å; I277-L280 PolarHBondContact O-N 3.37Å; I277-V281 HydrophobicContact CG2-CG2 4.25Å; I277-V281 WeakPolarHBondContact O-CB 3.29Å; I277-V281 VanDerWaalsContact O-CG2 3.27Å; I277-V281 WeakPolarHBondContact O-CG2 3.33Å; I277-V281 PolarHBondContact O-N 2.97Å; I277-L503 HydrophobicContact CD1-CD1 4.25Å; I277-L503 HydrophobicContact CD1-CD2 3.74Å
278	V	98.2	Very high	97.9	Very high	20 Å²	20	46.2 Å²	46.2	12%	0.121	21%	0.212	C	C	.	.	H	α-helix	trans	-60.6	-41.9	176	170.9	0	0	0	0	111.1	Y270 N274 K282	Y270-V278 HydrophobicContact CD2-CB 4.41Å; Y270-V278 HydrophobicContact CD2-CG2 3.9Å; Y270-V278 HydrophobicContact CE2-CB 4.44Å; Y270-V278 HydrophobicContact CE2-CG1 4.39Å; Y270-V278 HydrophobicContact CE2-CG2 4.16Å; Y270-V278 HydrophobicContact CG-CG2 4.43Å; N274-V278 WeakPolarHBondContact O-CG2 3.23Å; N274-V278 PolarHBondContact O-N 2.81Å; V278-K282 HydrophobicContact CG1-CD 4.14Å; V278-K282 WeakPolarHBondContact O-CB 3.38Å; V278-K282 VanDerWaalsContact O-CG 3.26Å; V278-K282 WeakPolarHBondContact O-CG 3.44Å; V278-K282 PolarHBondContact O-N 3.41Å
279	H	96.8	Very high	98	Very high	67 Å²	67	44.7 Å²	44.7	31%	0.31	21%	0.205	S	C	.	.	H	α-helix	trans	-65.9	-47.4	176.1	179.3	69.8	0	0	0	111.5	Q275 R276 I277 V281 K282 E283 F580	Q275-H279 WeakPolarHBondContact O-CB 3.28Å; Q275-H279 PolarHBondContact O-N 2.86Å; R276-H279 PolarHBondContact O-N 3.12Å; I277-H279 VanDerWaalsContact C-N 3.3Å; I277-H279 PolarHBondContact O-N 3.2Å; H279-V281 VanDerWaalsContact C-N 3.32Å; H279-V281 PolarHBondContact O-N 3.34Å; H279-K282 PolarHBondContact O-N 3.11Å; H279-K282 VanDerWaalsContact O-N 3.11Å; H279-E283 IonicContact CE1-OE1 3.52Å; H279-E283 PolarHBondContact CE1-OE1 3.16Å; H279-E283 IonicContact CE1-OE2 3.75Å; H279-E283 PolarHBondContact CE1-OE2 3.06Å; H279-E283 VanDerWaalsContact ND1-CD 3.34Å; H279-E283 IonicContact ND1-OE1 3.07Å; H279-E283 PolarHBondContact ND1-OE1 3.24Å; H279-E283 VanDerWaalsContact ND1-OE1 3.11Å; H279-E283 IonicContact ND1-OE2 2.84Å; H279-E283 IonicContact NE2-OE2 2.82Å; H279-E283 PolarHBondContact O-N 3.34Å; H279-F580 AromaticContact CE1-CE1 3.67Å; H279-F580 AromaticContact NE2-CE1 3.53Å
280	L	97.6	Very high	98	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-58.9	-42.2	179.3	-169.1	66.2	0	0	0	112.3	M266 R276 I277 K282 T284 I286 L503 M506 E507	M266-L280 HydrophobicContact CE-CD2 4.1Å; R276-L280 WeakPolarHBondContact O-CB 3.4Å; R276-L280 PolarHBondContact O-N 2.85Å; I277-L280 PolarHBondContact O-N 3.37Å; L280-K282 VanDerWaalsContact C-N 3.33Å; L280-K282 PolarHBondContact O-N 3.1Å; L280-T284 VanDerWaalsContact O-CB 3.3Å; L280-T284 WeakPolarHBondContact O-CB 3.38Å; L280-T284 PolarHBondContact O-N 3.2Å; L280-I286 HydrophobicContact CD2-CD1 4.17Å; L280-I286 HydrophobicContact CG-CD1 4Å; L280-L503 HydrophobicContact CD2-CD2 4.47Å; L280-M506 HydrophobicContact CD1-CB 4.46Å; L280-M506 HydrophobicContact CD2-CB 4.31Å; L280-M506 HydrophobicContact CD2-CE 4.01Å; L280-M506 HydrophobicContact CD2-SD 4.4Å; L280-E507 HydrophobicContact CD1-CG 4.24Å
281	V	98.3	Very high	98	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-70.3	-26.9	178.3	172.2	0	0	0	0	113	I208 I228 S229 D230 M266 Y270 I277 H279	I208-V281 HydrophobicContact CB-CG1 4.11Å; I208-V281 HydrophobicContact CD1-CG1 4.32Å; I208-V281 HydrophobicContact CG2-CG1 4.2Å; I228-V281 HydrophobicContact CG2-CG1 4.29Å; I228-V281 HydrophobicContact CG2-CG2 3.87Å; S229-V281 CarbonylContact C-O 3.56Å; S229-V281 WeakPolarHBondContact CA-O 3.44Å; D230-V281 PolarHBondContact N-O 3.09Å; M266-V281 HydrophobicContact CE-CG2 3.76Å; Y270-V281 HydrophobicContact CD2-CB 4.01Å; Y270-V281 HydrophobicContact CD2-CG1 4.03Å; Y270-V281 HydrophobicContact CD2-CG2 4.11Å; Y270-V281 HydrophobicContact CE2-CB 4.04Å; Y270-V281 HydrophobicContact CE2-CG1 3.79Å; I277-V281 HydrophobicContact CG2-CG2 4.25Å; I277-V281 WeakPolarHBondContact O-CB 3.29Å; I277-V281 VanDerWaalsContact O-CG2 3.27Å; I277-V281 WeakPolarHBondContact O-CG2 3.33Å; I277-V281 PolarHBondContact O-N 2.97Å; H279-V281 VanDerWaalsContact C-N 3.32Å; H279-V281 PolarHBondContact O-N 3.34Å
282	K	97.3	Very high	98	Very high	109 Å²	109	35.3 Å²	35.3	47%	0.474	17%	0.166	S	C	.	.	H	α-helix	trans	-87.4	-22.4	179.6	-78.3	-177	171.4	-171.2	0	114.3	D230 V278 H279 L280	D230-K282 HydrophobicContact CB-CG 4.11Å; V278-K282 HydrophobicContact CG1-CD 4.14Å; V278-K282 WeakPolarHBondContact O-CB 3.38Å; V278-K282 VanDerWaalsContact O-CG 3.26Å; V278-K282 WeakPolarHBondContact O-CG 3.44Å; V278-K282 PolarHBondContact O-N 3.41Å; H279-K282 PolarHBondContact O-N 3.11Å; H279-K282 VanDerWaalsContact O-N 3.11Å; L280-K282 VanDerWaalsContact C-N 3.33Å; L280-K282 PolarHBondContact O-N 3.1Å
283	E	96.4	Very high	98.1	Very high	66 Å²	66	27.9 Å²	27.9	31%	0.308	14%	0.138	S	C	.	.	H	α-helix	trans	-113.1	-8	-174.3	-62.7	-161.6	-176.1	0	0	112.8	P240 H279 H510	P240-E283 VanDerWaalsContact CD-O 3.31Å; P240-E283 WeakPolarHBondContact CD-O 2.94Å; H279-E283 IonicContact CE1-OE1 3.52Å; H279-E283 PolarHBondContact CE1-OE1 3.16Å; H279-E283 IonicContact CE1-OE2 3.75Å; H279-E283 PolarHBondContact CE1-OE2 3.06Å; H279-E283 VanDerWaalsContact ND1-CD 3.34Å; H279-E283 IonicContact ND1-OE1 3.07Å; H279-E283 PolarHBondContact ND1-OE1 3.24Å; H279-E283 VanDerWaalsContact ND1-OE1 3.11Å; H279-E283 IonicContact ND1-OE2 2.84Å; H279-E283 IonicContact NE2-OE2 2.82Å; H279-E283 PolarHBondContact O-N 3.34Å; E283-H510 PolarHBondContact O-CE1 2.7Å; E283-H510 VanDerWaalsContact O-CE1 3.26Å
284	T	98.1	Very high	98.1	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	12%	0.121	C	C	.	.			trans	-135.2	136.9	178	-57.5	0	0	0	0	110.5	F242 L280 I286 I509 H510	F242-T284 HydrophobicContact CB-CG2 3.58Å; L280-T284 VanDerWaalsContact O-CB 3.3Å; L280-T284 WeakPolarHBondContact O-CB 3.38Å; L280-T284 PolarHBondContact O-N 3.2Å; T284-I286 HydrophobicContact CG2-CG1 3.67Å; T284-I509 HydrophobicContact CG2-CD1 4.36Å; T284-I509 HydrophobicContact CG2-CG2 4.21Å; T284-H510 PolarHBondContact OG1-CE1 3.11Å; T284-H510 PolarHBondContact OG1-NE2 2.94Å
285	R	98.6	Very high	98.1	Very high	13 Å²	13	23.9 Å²	23.9	5%	0.049	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	108.4	167.3	-172.1	163.6	175	-111.1	-5.6	110.4	E227 E239 P240 E241 F242	E227-R285 HydrophobicContact CG-CG 4.45Å; E227-R285 IonicContact OE1-CZ 3.26Å; E227-R285 IonicContact OE1-NE 3.13Å; E227-R285 PolarHBondContact OE1-NE 2.77Å; E227-R285 IonicContact OE1-NH2 3.76Å; E227-R285 PolarHBondContact OE1-NH2 2.89Å; E227-R285 IonicContact OE2-NH2 2.88Å; E227-R285 PolarHBondContact OE2-NH2 2.97Å; E227-R285 VanDerWaalsContact OE2-NH2 3.14Å; E239-R285 HydrophobicContact CG-CB 4.47Å; E239-R285 PolarHBondContact OE1-N 2.78Å; P240-R285 PolarHBondContact O-N 3.48Å; P240-R285 VanDerWaalsContact O-N 3.08Å; E241-R285 WeakPolarHBondContact CA-O 3.5Å; E241-R285 WeakPolarHBondContact OE1-CD 3.48Å; E241-R285 IonicContact OE1-CZ 3.67Å; E241-R285 IonicContact OE1-NH1 3.14Å; E241-R285 PolarHBondContact OE1-NH1 2.95Å; E241-R285 VanDerWaalsContact OE2-CB 3.25Å; E241-R285 WeakPolarHBondContact OE2-CB 3.44Å; E241-R285 VanDerWaalsContact OE2-CD 3.25Å; E241-R285 WeakPolarHBondContact OE2-CD 3.42Å; E241-R285 WeakPolarHBondContact OE2-CG 3.39Å; E241-R285 IonicContact OE2-CZ 3.82Å; E241-R285 IonicContact OE2-NE 3.52Å; E241-R285 IonicContact OE2-NH1 3.83Å; E241-R285 PolarHBondContact OE2-NH1 2.93Å; F242-R285 PolarHBondContact N-O 2.61Å
286	I	98.9	Very high	98.1	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.9	-167.2	-57.3	167.3	0	0	0	109.5	E227 I228 F242 M266 L280 T284 L288 M506	E227-I286 CarbonylContact C-O 3.58Å; E227-I286 VanDerWaalsContact CA-O 3.3Å; E227-I286 WeakPolarHBondContact CA-O 3.19Å; I228-I286 HydrophobicContact CB-CB 4.32Å; I228-I286 PolarHBondContact N-O 2.85Å; I228-I286 WeakPolarHBondContact O-CB 3.46Å; I228-I286 PolarHBondContact O-N 3.07Å; F242-I286 HydrophobicContact CD1-CG2 4.11Å; M266-I286 HydrophobicContact CE-CD1 3.34Å; M266-I286 HydrophobicContact SD-CD1 4.26Å; L280-I286 HydrophobicContact CD2-CD1 4.17Å; L280-I286 HydrophobicContact CG-CD1 4Å; T284-I286 HydrophobicContact CG2-CG1 3.67Å; I286-L288 HydrophobicContact CG2-CD2 3.74Å; I286-L288 HydrophobicContact CG2-CG 4.02Å; I286-M506 HydrophobicContact CD1-SD 4.34Å; I286-M506 HydrophobicContact CG2-SD 4.08Å
287	H	98.9	Very high	98.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	119.5	177.3	-62.1	-82.7	0	0	0	112.7	Y212 V225 M226 E227 E241 F242 R243 Y244 W374 F380	Y212-H287 AromaticContact CE1-ND1 3.67Å; Y212-H287 AromaticContact CZ-ND1 3.76Å; Y212-H287 PolarHBondContact OH-CE1 3.06Å; Y212-H287 PolarHBondContact OH-ND1 3.27Å; V225-H287 HydrophobicContact CG1-CB 3.93Å; M226-H287 WeakPolarHBondContact O-CA 3.5Å; E227-H287 IonicContact OE2-CE1 3.42Å; E241-H287 IonicContact OE2-CD2 3.84Å; E241-H287 IonicContact OE2-NE2 3.85Å; E241-H287 PolarHBondContact OE2-NE2 3.49Å; F242-H287 PolarHBondContact O-N 2.98Å; R243-H287 CarbonylContact C-O 3.53Å; R243-H287 WeakPolarHBondContact CA-O 3.4Å; R243-H287 HydrophobicContact CB-CB 4.39Å; Y244-H287 PolarHBondContact N-O 3.23Å; H287-W374 HydrophobicContact CB-CH2 4.42Å; H287-W374 HydrophobicContact CB-CZ2 3.7Å; H287-F380 HydrophobicContact CB-CE1 4.04Å; H287-F380 HydrophobicContact CB-CZ 4.31Å; H287-F380 AromaticContact CD2-CE1 3.5Å; H287-F380 AromaticContact CG-CE1 3.98Å
288	L	98.9	Very high	98.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	113.5	-175.8	-53.1	-179.6	0	0	0	110.5	V225 M226 I228 Y244 L259 L262 M263 I286 P290	V225-L288 WeakPolarHBondContact CA-O 3.34Å; M226-L288 HydrophobicContact CB-CB 4.43Å; M226-L288 PolarHBondContact N-O 3.11Å; M226-L288 PolarHBondContact O-N 2.72Å; I228-L288 HydrophobicContact CD1-CD1 4.07Å; Y244-L288 HydrophobicContact CD2-CD2 3.9Å; Y244-L288 HydrophobicContact CG-CD2 4.37Å; L259-L288 HydrophobicContact CD2-CD2 4.35Å; L262-L288 HydrophobicContact CD2-CD1 4.08Å; L262-L288 HydrophobicContact CD2-CD2 4.24Å; L262-L288 HydrophobicContact CG-CD1 4.29Å; M263-L288 HydrophobicContact CE-CB 3.67Å; M263-L288 HydrophobicContact CE-CD1 4.39Å; M263-L288 HydrophobicContact CG-CD1 3.71Å; I286-L288 HydrophobicContact CG2-CD2 3.74Å; I286-L288 HydrophobicContact CG2-CG 4.02Å; L288-P290 VanDerWaalsContact O-CD 3.29Å; L288-P290 WeakPolarHBondContact O-CD 3.22Å
289	L	98.9	Very high	98.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	94.7	174.1	176	56.7	0	0	0	109.3	I214 L223 Y224 V225 Y244 V245 A246 S291 M292 V371 W374	I214-L289 HydrophobicContact CD1-CD2 3.81Å; L223-L289 HydrophobicContact CB-CD1 4.31Å; Y224-L289 VanDerWaalsContact O-CD1 3.23Å; Y224-L289 WeakPolarHBondContact O-CD1 3.33Å; V225-L289 HydrophobicContact CG2-CB 4.18Å; V225-L289 HydrophobicContact CG2-CD1 4.06Å; Y244-L289 PolarHBondContact O-N 2.85Å; V245-L289 HydrophobicContact CG1-CD2 4.06Å; V245-L289 HydrophobicContact CG1-CG 4.46Å; V245-L289 HydrophobicContact CG2-CB 4.44Å; V245-L289 HydrophobicContact CG2-CD2 4.42Å; A246-L289 PolarHBondContact N-O 2.75Å; L289-S291 PolarHBondContact O-N 3.32Å; L289-M292 HydrophobicContact CD2-CB 4.29Å; L289-V371 HydrophobicContact CD2-CG2 4.17Å; L289-W374 HydrophobicContact CB-CH2 4.2Å; L289-W374 HydrophobicContact CB-CZ3 4.3Å; L289-W374 HydrophobicContact CD2-CE3 4.47Å; L289-W374 HydrophobicContact CD2-CZ3 4.01Å
290	P	98.6	Very high	98.2	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	-69.3	-18.5	-175.4	28.5	-36.3	0	0	0	113.9	M194 M198 Y224 A246 R256 L259 L260 M263 L288	M194-P290 HydrophobicContact CG-CG 4.4Å; M194-P290 HydrophobicContact SD-CB 4.28Å; M194-P290 HydrophobicContact SD-CG 3.79Å; M198-P290 HydrophobicContact CE-CG 4.38Å; M198-P290 HydrophobicContact SD-CG 4.12Å; Y224-P290 WeakPolarHBondContact O-CD 3.47Å; A246-P290 CarbonylContact O-C 3.6Å; R256-P290 WeakPolarHBondContact CA-O 3.2Å; R256-P290 VanDerWaalsContact CB-O 3.23Å; R256-P290 WeakPolarHBondContact CB-O 3.49Å; R256-P290 HydrophobicContact CG-CB 4.46Å; R256-P290 VanDerWaalsContact CG-O 3.29Å; R256-P290 WeakPolarHBondContact CG-O 3.43Å; L259-P290 HydrophobicContact CB-CB 4.27Å; L260-P290 HydrophobicContact CD2-CB 3.94Å; L260-P290 HydrophobicContact CD2-CG 4.11Å; L260-P290 HydrophobicContact CG-CB 4.26Å; M263-P290 HydrophobicContact CE-CB 4.24Å; M263-P290 HydrophobicContact CE-CG 3.97Å; L288-P290 VanDerWaalsContact O-CD 3.29Å; L288-P290 WeakPolarHBondContact O-CD 3.22Å
291	S	98.2	Very high	98.2	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.021	8%	0.08	C	C	.	.			trans	-155.7	101.2	-176.2	-169	0	0	0	0	111.8	A246 R256 L289 P294	A246-S291 VanDerWaalsContact O-CA 3.3Å; A246-S291 WeakPolarHBondContact O-CA 3.33Å; A246-S291 PolarHBondContact O-N 2.84Å; R256-S291 PolarHBondContact NH1-OG 3.32Å; L289-S291 PolarHBondContact O-N 3.32Å; S291-P294 WeakPolarHBondContact OG-CA 3.3Å
292	M	98.4	Very high	98.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-73.1	-36.3	168.5	179.9	177.6	176.2	0	0	111.5	V245 A246 M248 L289 P294 M322 F326 E367 V371 M463	V245-M292 HydrophobicContact CG1-CB 4.19Å; V245-M292 HydrophobicContact CG1-SD 4.37Å; A246-M292 PolarHBondContact O-N 3.48Å; M248-M292 HydrophobicContact CB-SD 4.09Å; M248-M292 HydrophobicContact CE-SD 3.81Å; M248-M292 HydrophobicContact CG-SD 3.86Å; L289-M292 HydrophobicContact CD2-CB 4.29Å; M292-P294 WeakPolarHBondContact O-CD 3.28Å; M292-M322 HydrophobicContact CE-CB 4.27Å; M292-M322 HydrophobicContact CE-SD 3.93Å; M292-M322 HydrophobicContact CG-CE 4.47Å; M292-M322 HydrophobicContact CG-SD 4.35Å; M292-F326 HydrophobicContact CE-CE2 3.95Å; M292-F326 HydrophobicContact CE-CZ 3.81Å; M292-E367 HydrophobicContact CG-CB 4.45Å; M292-E367 WeakPolarHBondContact O-CG 3.46Å; M292-V371 HydrophobicContact CE-CB 4.19Å; M292-V371 HydrophobicContact CE-CG2 3.81Å; M292-V371 HydrophobicContact CG-CG2 4.02Å; M292-V371 HydrophobicContact SD-CG2 3.93Å; M292-M463 HydrophobicContact SD-SD 4.47Å
293	N	98.4	Very high	98	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.112	C	C	.	.			trans	-109.4	68.7	177.5	-161.7	-8.7	0	0	0	113.4	G247 M248 D295 G296 Y297 R314 Y315 M322	G247-N293 WeakPolarHBondContact O-CA 3.47Å; G247-N293 WeakPolarHBondContact O-CB 3.33Å; G247-N293 PolarHBondContact O-N 3.48Å; M248-N293 VanDerWaalsContact O-CB 3.31Å; M248-N293 WeakPolarHBondContact O-CB 3.36Å; M248-N293 PolarHBondContact O-ND2 3.17Å; N293-D295 PolarHBondContact O-N 3.39Å; N293-G296 PolarHBondContact OD1-N 2.96Å; N293-Y297 WeakPolarHBondContact O-CB 3.35Å; N293-Y297 PolarHBondContact O-N 2.89Å; N293-Y297 VanDerWaalsContact O-N 3.12Å; N293-R314 PolarHBondContact ND2-O 3.19Å; N293-Y315 VanDerWaalsContact ND2-C 3.34Å; N293-Y315 PolarHBondContact ND2-O 2.77Å; N293-M322 HydrophobicContact CB-CE 3.2Å; N293-M322 WeakPolarHBondContact ND2-CE 3.47Å
294	P	98.3	Very high	97.9	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	11%	0.108	C	C	.	.	H	α-helix	trans	-65	-28.2	179.2	28.9	-35.7	0	0	0	112.1	Y191 L221 L223 S291 M292 E298	Y191-P294 HydrophobicContact CD2-CB 3.81Å; Y191-P294 HydrophobicContact CE2-CB 4.03Å; L221-P294 HydrophobicContact CB-CB 4.24Å; L221-P294 HydrophobicContact CB-CG 3.92Å; L221-P294 HydrophobicContact CD1-CB 3.93Å; L221-P294 HydrophobicContact CD1-CG 4.33Å; L223-P294 HydrophobicContact CD1-CG 4.3Å; S291-P294 WeakPolarHBondContact OG-CA 3.3Å; M292-P294 WeakPolarHBondContact O-CD 3.28Å; P294-E298 VanDerWaalsContact O-CG 3.31Å; P294-E298 WeakPolarHBondContact O-CG 3.11Å; P294-E298 PolarHBondContact O-N 2.91Å
295	D	98.4	Very high	97.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-69.2	-47.5	-178.7	-69.3	1.8	0	0	0	112.2	S217 Y218 K219 L221 N293 Y297 E298 M299	S217-D295 VanDerWaalsContact CB-CG 3.49Å; S217-D295 VanDerWaalsContact CB-OD1 3.28Å; S217-D295 WeakPolarHBondContact CB-OD1 3.44Å; S217-D295 WeakPolarHBondContact CB-OD2 3.38Å; S217-D295 PolarHBondContact OG-OD1 3.48Å; S217-D295 PolarHBondContact OG-OD2 3.11Å; Y218-D295 PolarHBondContact N-OD2 3.38Å; K219-D295 WeakPolarHBondContact CB-OD1 3.29Å; K219-D295 WeakPolarHBondContact CB-OD2 3.1Å; K219-D295 HydrophobicContact CD-CB 4.41Å; K219-D295 WeakPolarHBondContact CG-OD2 3.48Å; K219-D295 PolarHBondContact N-OD2 2.8Å; L221-D295 WeakPolarHBondContact CD1-OD1 3.35Å; N293-D295 PolarHBondContact O-N 3.39Å; D295-Y297 VanDerWaalsContact C-N 3.35Å; D295-E298 PolarHBondContact O-N 3.38Å; D295-M299 PolarHBondContact O-N 3.07Å
296	G	98	Very high	97.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.1	-40.2	174.6	0	0	0	0	0	111.8	N293 E298 M299 A300 G313	N293-G296 PolarHBondContact OD1-N 2.96Å; G296-E298 PolarHBondContact O-N 3.12Å; G296-M299 WeakPolarHBondContact O-CB 3.02Å; G296-M299 PolarHBondContact O-N 2.91Å; G296-M299 VanDerWaalsContact O-N 3.14Å; G296-A300 PolarHBondContact O-N 2.77Å; G296-A300 VanDerWaalsContact O-N 3.07Å; G296-G313 CarbonylContact C-O 3.59Å; G296-G313 WeakPolarHBondContact CA-O 3.41Å; G296-G313 VanDerWaalsContact O-CA 3.22Å; G296-G313 WeakPolarHBondContact O-CA 3.4Å
297	Y	98.3	Very high	97.2	Very high	3 Å²	3	25.7 Å²	25.7	1%	0.012	12%	0.124	C	C	.	.	H	α-helix	trans	-61.2	-45.6	176.3	175.3	-95.3	0	0	0	112.2	H189 G250 V253 R256 E257 N293 D295 M299 A300 F301	H189-Y297 VanDerWaalsContact C-OH 3.32Å; H189-Y297 PolarHBondContact N-OH 3.15Å; H189-Y297 WeakPolarHBondContact O-CE1 3.31Å; H189-Y297 PolarHBondContact O-OH 2.79Å; G250-Y297 WeakPolarHBondContact O-CA 3.22Å; G250-Y297 WeakPolarHBondContact O-CD2 3.48Å; V253-Y297 HydrophobicContact CB-CE2 4.32Å; V253-Y297 HydrophobicContact CG1-CE2 3.76Å; V253-Y297 HydrophobicContact CG2-CD2 3.91Å; V253-Y297 HydrophobicContact CG2-CE2 3.72Å; R256-Y297 VanDerWaalsContact CD-CE2 3.45Å; E257-Y297 PolarHBondContact OE1-OH 3.14Å; N293-Y297 WeakPolarHBondContact O-CB 3.35Å; N293-Y297 PolarHBondContact O-N 2.89Å; N293-Y297 VanDerWaalsContact O-N 3.12Å; D295-Y297 VanDerWaalsContact C-N 3.35Å; Y297-M299 PolarHBondContact O-N 2.81Å; Y297-A300 PolarHBondContact O-N 3.5Å; Y297-A300 VanDerWaalsContact O-N 3.17Å; Y297-F301 HydrophobicContact CD1-CB 4.37Å; Y297-F301 HydrophobicContact CE1-CB 4.02Å; Y297-F301 HydrophobicContact CE1-CD2 4.07Å; Y297-F301 HydrophobicContact CE1-CG 4.23Å; Y297-F301 AromaticContact CZ-CD2 3.83Å; Y297-F301 WeakPolarHBondContact O-CB 3.49Å; Y297-F301 PolarHBondContact O-N 3.03Å; Y297-F301 WeakPolarHBondContact OH-CD2 3.39Å
298	E	98.2	Very high	96.9	Very high	40 Å²	40	26 Å²	26	19%	0.187	13%	0.127	C	C	.	.	H	α-helix	trans	-61.3	-27.7	177.6	-73.7	-67.3	122.6	0	0	112.8	Y191 L221 P294 D295 G296 K302	Y191-E298 VanDerWaalsContact CB-OE1 3.28Å; Y191-E298 WeakPolarHBondContact CB-OE1 3.05Å; Y191-E298 PolarHBondContact N-OE1 2.77Å; L221-E298 HydrophobicContact CD1-CG 4.32Å; P294-E298 VanDerWaalsContact O-CG 3.31Å; P294-E298 WeakPolarHBondContact O-CG 3.11Å; P294-E298 PolarHBondContact O-N 2.91Å; D295-E298 PolarHBondContact O-N 3.38Å; G296-E298 PolarHBondContact O-N 3.12Å; E298-K302 WeakPolarHBondContact O-CD 3.42Å; E298-K302 WeakPolarHBondContact O-CG 3.42Å; E298-K302 PolarHBondContact O-N 3.18Å
299	M	97	Very high	96.5	Very high	75 Å²	75	26.4 Å²	26.4	37%	0.369	13%	0.131	S	C	.	.	H	α-helix	trans	-72.3	-48.3	173.6	-68	175.7	53.4	0	0	111.6	D295 G296 Y297 L312	D295-M299 PolarHBondContact O-N 3.07Å; G296-M299 WeakPolarHBondContact O-CB 3.02Å; G296-M299 PolarHBondContact O-N 2.91Å; G296-M299 VanDerWaalsContact O-N 3.14Å; Y297-M299 PolarHBondContact O-N 2.81Å; M299-L312 HydrophobicContact CE-CD1 4.13Å
300	A	97.6	Very high	96.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.4	-46.8	176.6	0	0	0	0	0	111.3	N251 G296 Y297 K302 K303 G304 A308 F485	N251-A300 HydrophobicContact CB-CB 3.93Å; G296-A300 PolarHBondContact O-N 2.77Å; G296-A300 VanDerWaalsContact O-N 3.07Å; Y297-A300 PolarHBondContact O-N 3.5Å; Y297-A300 VanDerWaalsContact O-N 3.17Å; A300-K302 VanDerWaalsContact C-N 3.33Å; A300-K302 PolarHBondContact O-N 2.97Å; A300-K303 WeakPolarHBondContact O-CB 3.32Å; A300-K303 PolarHBondContact O-N 3.48Å; A300-G304 PolarHBondContact O-N 2.97Å; A300-A308 HydrophobicContact CB-CB 4.1Å; A300-F485 HydrophobicContact CB-CD1 4.15Å; A300-F485 HydrophobicContact CB-CE1 3.94Å
301	F	97.6	Very high	96	Very high	55 Å²	55	31.4 Å²	31.4	24%	0.241	16%	0.162	C	C	.	.	H	α-helix	trans	-57.6	-41.8	-179.2	179.8	-88.9	0	0	0	112.6	H188 N190 Y297 K303 G304	H188-F301 HydrophobicContact CB-CD2 4.08Å; H188-F301 HydrophobicContact CB-CE2 3.74Å; N190-F301 HydrophobicContact CB-CD1 3.96Å; N190-F301 HydrophobicContact CB-CE1 3.66Å; N190-F301 HydrophobicContact CB-CE2 4.27Å; N190-F301 HydrophobicContact CB-CG 4.41Å; N190-F301 HydrophobicContact CB-CZ 3.83Å; Y297-F301 HydrophobicContact CD1-CB 4.37Å; Y297-F301 HydrophobicContact CE1-CB 4.02Å; Y297-F301 HydrophobicContact CE1-CD2 4.07Å; Y297-F301 HydrophobicContact CE1-CG 4.23Å; Y297-F301 AromaticContact CZ-CD2 3.83Å; Y297-F301 WeakPolarHBondContact O-CB 3.49Å; Y297-F301 PolarHBondContact O-N 3.03Å; Y297-F301 WeakPolarHBondContact OH-CD2 3.39Å; F301-K303 PolarHBondContact O-N 2.67Å; F301-G304 PolarHBondContact O-N 3.46Å
302	K	97	Very high	95.8	Very high	166 Å²	166	34.7 Å²	34.7	72%	0.722	18%	0.178	S	C	*	.	H	α-helix	trans	-63.8	-28.9	177.1	-77.7	172.3	-172.2	178.1	0	113.1	E298 A300	E298-K302 WeakPolarHBondContact O-CD 3.42Å; E298-K302 WeakPolarHBondContact O-CG 3.42Å; E298-K302 PolarHBondContact O-N 3.18Å; A300-K302 VanDerWaalsContact C-N 3.33Å; A300-K302 PolarHBondContact O-N 2.97Å
303	K	95.3	Very high	95.7	Very high	96 Å²	96	35 Å²	35	42%	0.417	18%	0.181	S	C	.	.	H	α-helix	trans	-82.9	-36.2	179.4	-170.4	63.6	168.9	175.6	0	111.5	A300 F301 L307 L312	A300-K303 WeakPolarHBondContact O-CB 3.32Å; A300-K303 PolarHBondContact O-N 3.48Å; F301-K303 PolarHBondContact O-N 2.67Å; K303-L307 HydrophobicContact CD-CB 4.17Å; K303-L307 VanDerWaalsContact CE-O 3.32Å; K303-L307 WeakPolarHBondContact CE-O 3.38Å; K303-L307 HydrophobicContact CG-CB 3.77Å; K303-L307 WeakPolarHBondContact CG-O 3.41Å; K303-L312 HydrophobicContact CB-CD2 3.78Å; K303-L312 HydrophobicContact CD-CD2 4.42Å; K303-L312 HydrophobicContact CG-CD2 3.78Å
304	G	93.6	Very high	95.7	Very high	22 Å²	22	37.1 Å²	37.1	23%	0.227	19%	0.189	C	C	.	.			trans	102.8	162.8	-179.5	0	0	0	0	0	112.8	A300 F301 E306 L307 A308	A300-G304 PolarHBondContact O-N 2.97Å; F301-G304 PolarHBondContact O-N 3.46Å; G304-E306 PolarHBondContact O-N 3.45Å; G304-L307 PolarHBondContact O-N 3.04Å; G304-A308 WeakPolarHBondContact O-CB 3.49Å; G304-A308 PolarHBondContact O-N 2.89Å
305	S	93.2	Very high	95.6	Very high	11 Å²	11	42.1 Å²	42.1	8%	0.077	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-55.5	-174.4	28.9	0	0	0	0	112.7	L307 F485	S305-L307 VanDerWaalsContact C-N 3.3Å; S305-L307 PolarHBondContact O-N 3.44Å; S305-F485 WeakPolarHBondContact CA-O 3.4Å; S305-F485 WeakPolarHBondContact CB-O 3.44Å
306	E	92.8	Very high	95.5	Very high	33 Å²	33	42.3 Å²	42.3	15%	0.154	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-16.4	-172.9	-53	71.1	-151	0	0	112.5	P4 L34 I75 G304 H487	P4-E306 HydrophobicContact CB-CG 4.36Å; P4-E306 HydrophobicContact CG-CG 4.25Å; L34-E306 HydrophobicContact CD2-CB 4.27Å; I75-E306 HydrophobicContact CD1-CB 3.33Å; I75-E306 HydrophobicContact CD1-CG 3.88Å; G304-E306 PolarHBondContact O-N 3.45Å; E306-H487 WeakPolarHBondContact OE1-CB 3.37Å; E306-H487 IonicContact OE1-CD2 3.11Å; E306-H487 PolarHBondContact OE1-CD2 3.19Å; E306-H487 IonicContact OE1-CG 3.9Å
307	L	95.3	Very high	95.3	Very high	33 Å²	33	47.6 Å²	47.6	17%	0.173	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-14	-168.6	-64.2	-175.7	0	0	0	113.8	I75 P123 L125 K303 G304 S305 G309	I75-L307 HydrophobicContact CD1-CD2 4.18Å; I75-L307 HydrophobicContact CG2-CD2 4.04Å; P123-L307 HydrophobicContact CB-CD2 4Å; L125-L307 HydrophobicContact CB-CD1 4.36Å; L125-L307 HydrophobicContact CB-CD2 4.11Å; L125-L307 HydrophobicContact CD2-CD1 4.46Å; K303-L307 HydrophobicContact CD-CB 4.17Å; K303-L307 VanDerWaalsContact CE-O 3.32Å; K303-L307 WeakPolarHBondContact CE-O 3.38Å; K303-L307 HydrophobicContact CG-CB 3.77Å; K303-L307 WeakPolarHBondContact CG-O 3.41Å; G304-L307 PolarHBondContact O-N 3.04Å; S305-L307 VanDerWaalsContact C-N 3.3Å; S305-L307 PolarHBondContact O-N 3.44Å; L307-G309 PolarHBondContact O-N 3.42Å
308	A	93.6	Very high	95.1	Very high	6 Å²	6	51.5 Å²	51.5	5%	0.05	25%	0.249	C	C	.	.	S	Bend	trans	-64.3	-30	172.4	0	0	0	0	0	111.4	A300 G304 L312 F485	A300-A308 HydrophobicContact CB-CB 4.1Å; G304-A308 WeakPolarHBondContact O-CB 3.49Å; G304-A308 PolarHBondContact O-N 2.89Å; A308-L312 WeakPolarHBondContact O-CB 3.37Å; A308-F485 HydrophobicContact CB-CD1 4.2Å
309	G	90.9	Very high	95	Very high	9 Å²	9	52 Å²	52	9%	0.093	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	-161.5	-177.6	0	0	0	0	0	112.4	N35 L307	N35-G309 WeakPolarHBondContact OD1-CA 3.25Å; L307-G309 PolarHBondContact O-N 3.42Å
310	W	92.3	Very high	94.9	Very high	53 Å²	53	48.9 Å²	48.9	20%	0.201	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-24.3	-169.4	-157.8	-110.7	0	0	0	115.5	N35 Q37 N251 H440 K484	N35-W310 HydrophobicContact CB-CE3 3.92Å; N35-W310 HydrophobicContact CB-CZ3 4.32Å; Q37-W310 HydrophobicContact CG-CD2 4.24Å; Q37-W310 HydrophobicContact CG-CH2 3.86Å; Q37-W310 HydrophobicContact CG-CZ2 3.47Å; Q37-W310 VanDerWaalsContact CG-CZ2 3.47Å; Q37-W310 HydrophobicContact CG-CZ3 4.38Å; N251-W310 PolarHBondContact ND2-O 3.05Å; W310-H440 AromaticContact CH2-CD2 3.95Å; W310-H440 AromaticContact CH2-CE1 3.92Å; W310-H440 AromaticContact CH2-NE2 3.23Å; W310-H440 WeakPolarHBondContact CH2-NE2 3.49Å; W310-H440 AromaticContact CZ3-NE2 3.83Å; W310-K484 HydrophobicContact CD2-CD 4.09Å; W310-K484 VanDerWaalsContact CE2-CE 3.45Å; W310-K484 HydrophobicContact CE3-CD 3.95Å; W310-K484 HydrophobicContact CE3-CG 4.21Å; W310-K484 HydrophobicContact CH2-CD 4.3Å; W310-K484 HydrophobicContact CH2-CG 4.24Å; W310-K484 HydrophobicContact CZ2-CD 4.43Å; W310-K484 HydrophobicContact CZ3-CD 4.07Å; W310-K484 HydrophobicContact CZ3-CG 3.92Å
311	A	92.8	Very high	94.9	Very high	53 Å²	53	50 Å²	50	44%	0.438	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	-27.4	-167.6	0	0	0	0	0	115.5	G313 R314	A311-G313 PolarHBondContact O-N 3.26Å; A311-G313 VanDerWaalsContact O-N 3.12Å; A311-R314 VanDerWaalsContact O-CB 3.31Å; A311-R314 WeakPolarHBondContact O-CB 3.44Å; A311-R314 PolarHBondContact O-N 2.72Å
312	L	95.6	Very high	94.7	Very high	71 Å²	71	47.4 Å²	47.4	37%	0.372	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	117.1	-174.4	-176.2	67.6	0	0	0	110.4	N251 M299 K303 A308	N251-L312 WeakPolarHBondContact CB-O 3.24Å; M299-L312 HydrophobicContact CE-CD1 4.13Å; K303-L312 HydrophobicContact CB-CD2 3.78Å; K303-L312 HydrophobicContact CD-CD2 4.42Å; K303-L312 HydrophobicContact CG-CD2 3.78Å; A308-L312 WeakPolarHBondContact O-CB 3.37Å
313	G	96.1	Very high	94.5	Very high	6 Å²	6	40.1 Å²	40.1	6%	0.062	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	1.9	-178.4	0	0	0	0	0	114.6	G250 N251 G296 A311	G250-G313 CarbonylContact C-O 3.47Å; G250-G313 WeakPolarHBondContact CA-O 3.47Å; G250-G313 PolarHBondContact N-O 3.47Å; N251-G313 PolarHBondContact N-O 3.25Å; G296-G313 CarbonylContact C-O 3.59Å; G296-G313 WeakPolarHBondContact CA-O 3.41Å; G296-G313 VanDerWaalsContact O-CA 3.22Å; G296-G313 WeakPolarHBondContact O-CA 3.4Å; A311-G313 PolarHBondContact O-N 3.26Å; A311-G313 VanDerWaalsContact O-N 3.12Å
314	R	97	Very high	94.4	Very high	46 Å²	46	39.5 Å²	39.5	17%	0.174	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-56.2	173.1	-179.3	-176.2	171.4	84.4	-3.8	111.7	H249 N251 E252 N293 A311 D321	H249-R314 WeakPolarHBondContact CA-O 3.46Å; H249-R314 HydrophobicContact CB-CG 4.01Å; H249-R314 PolarHBondContact CE1-NH1 2.9Å; H249-R314 VanDerWaalsContact CE1-NH1 3.26Å; H249-R314 PolarHBondContact CE1-NH2 3.13Å; H249-R314 PolarHBondContact ND1-NH1 2.99Å; H249-R314 VanDerWaalsContact NE2-CZ 3.3Å; H249-R314 PolarHBondContact NE2-NH2 3.43Å; N251-R314 WeakPolarHBondContact OD1-CA 3.26Å; N251-R314 WeakPolarHBondContact OD1-CB 3.4Å; N251-R314 PolarHBondContact OD1-N 2.72Å; E252-R314 IonicContact OE1-NH1 2.57Å; E252-R314 PolarHBondContact OE1-NH1 2.8Å; N293-R314 PolarHBondContact ND2-O 3.19Å; A311-R314 VanDerWaalsContact O-CB 3.31Å; A311-R314 WeakPolarHBondContact O-CB 3.44Å; A311-R314 PolarHBondContact O-N 2.72Å; R314-D321 IonicContact CZ-OD2 3.19Å; R314-D321 IonicContact NE-OD2 3.75Å; R314-D321 PolarHBondContact NE-OD2 3.44Å; R314-D321 VanDerWaalsContact NE-OD2 3.11Å; R314-D321 IonicContact NH2-OD2 2.93Å; R314-D321 PolarHBondContact NH2-OD2 3.38Å
315	Y	97.2	Very high	94.6	Very high	105 Å²	105	39.1 Å²	39.1	41%	0.412	21%	0.205	S	C	.	.	S	Bend	trans	-73.9	162.6	-174.8	-55.5	-79.2	0	0	0	112.1	N293 I320 D321	N293-Y315 VanDerWaalsContact ND2-C 3.34Å; N293-Y315 PolarHBondContact ND2-O 2.77Å; Y315-I320 WeakPolarHBondContact CA-O 3.38Å; Y315-D321 HydrophobicContact CD1-CB 3.86Å; Y315-D321 HydrophobicContact CE1-CB 3.85Å
316	S	95.8	Very high	94.7	Very high	6 Å²	6	38.9 Å²	38.9	4%	0.042	20%	0.202	C	C	.	.			trans	-60	170.6	166.1	79.2	0	0	0	0	110.4	E318 G319 I320	S316-E318 PolarHBondContact O-N 2.81Å; S316-E318 VanDerWaalsContact O-N 3.14Å; S316-E318 PolarHBondContact OG-N 3.43Å; S316-G319 PolarHBondContact O-N 3.42Å; S316-I320 PolarHBondContact N-O 3.49Å; S316-I320 WeakPolarHBondContact OG-CB 3.25Å; S316-I320 PolarHBondContact OG-N 3.5Å
317	Y	95.1	Very high	94.9	Very high	111 Å²	111	37.4 Å²	37.4	44%	0.435	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.3	176.2	-179	-101.6	0	0	0	113.3	Y218 K219 G319	Y218-Y317 AromaticContact CD1-CD1 3.06Å; Y218-Y317 HydrophobicContact CD1-CD1 3.06Å; Y218-Y317 AromaticContact CD1-CE1 3.57Å; Y218-Y317 HydrophobicContact CD1-CE1 3.57Å; Y218-Y317 AromaticContact CD1-CG 3.91Å; Y218-Y317 HydrophobicContact CD1-CG 3.91Å; Y218-Y317 AromaticContact CE1-CD1 3.28Å; Y218-Y317 HydrophobicContact CE1-CD1 3.28Å; Y218-Y317 AromaticContact CE1-CE1 3.31Å; Y218-Y317 HydrophobicContact CE1-CE1 3.31Å; Y218-Y317 HydrophobicContact CE1-CG 4.47Å; Y218-Y317 AromaticContact CG-CD1 3.76Å; Y218-Y317 HydrophobicContact CG-CD1 3.76Å; Y218-Y317 HydrophobicContact CG-CG 4.42Å; K219-Y317 HydrophobicContact CD-CD2 4.15Å; K219-Y317 HydrophobicContact CD-CE2 4.4Å; K219-Y317 HydrophobicContact CG-CD2 4.34Å; K219-Y317 HydrophobicContact CG-CG 4.34Å; K219-Y317 VanDerWaalsContact NZ-CD2 3.28Å; K219-Y317 VanDerWaalsContact NZ-CE2 3.3Å; Y317-G319 VanDerWaalsContact C-N 3.25Å; Y317-G319 PolarHBondContact O-N 2.91Å
318	E	94.1	Very high	94.8	Very high	84 Å²	84	38 Å²	38	39%	0.393	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	1.6	178.8	-63	-179.7	103.8	0	0	113.2	Y218 S316 I320	Y218-E318 HydrophobicContact CD2-CG 3.4Å; Y218-E318 WeakPolarHBondContact CD2-OE2 3.19Å; Y218-E318 HydrophobicContact CE2-CG 3.5Å; Y218-E318 VanDerWaalsContact CE2-OE1 3.24Å; Y218-E318 WeakPolarHBondContact CE2-OE1 3.34Å; Y218-E318 HydrophobicContact CG-CG 4.07Å; S316-E318 PolarHBondContact O-N 2.81Å; S316-E318 VanDerWaalsContact O-N 3.14Å; S316-E318 PolarHBondContact OG-N 3.43Å; E318-I320 HydrophobicContact CB-CD1 4.22Å; E318-I320 HydrophobicContact CB-CG1 4.14Å
319	G	95.4	Very high	94.9	Very high	50 Å²	50	37.8 Å²	37.8	52%	0.515	20%	0.197	S	C	.	.	S	Bend	trans	80.9	20.5	-178.3	0	0	0	0	0	114.1	S316 Y317	S316-G319 PolarHBondContact O-N 3.42Å; Y317-G319 VanDerWaalsContact C-N 3.25Å; Y317-G319 PolarHBondContact O-N 2.91Å
320	I	95.6	Very high	95	Very high	10 Å²	10	37.4 Å²	37.4	5%	0.051	19%	0.193	C	C	.	.			trans	-91.9	131.1	-179.5	-53.4	-179.3	0	0	0	109.8	Y315 S316 E318 M322 N325 F363 A365	Y315-I320 WeakPolarHBondContact CA-O 3.38Å; S316-I320 PolarHBondContact N-O 3.49Å; S316-I320 WeakPolarHBondContact OG-CB 3.25Å; S316-I320 PolarHBondContact OG-N 3.5Å; E318-I320 HydrophobicContact CB-CD1 4.22Å; E318-I320 HydrophobicContact CB-CG1 4.14Å; I320-M322 PolarHBondContact O-N 3.42Å; I320-N325 HydrophobicContact CG2-CB 3.81Å; I320-F363 HydrophobicContact CD1-CD1 4.04Å; I320-F363 HydrophobicContact CD1-CD2 4.38Å; I320-F363 HydrophobicContact CD1-CE1 3.67Å; I320-F363 HydrophobicContact CD1-CE2 4.01Å; I320-F363 HydrophobicContact CD1-CG 4.39Å; I320-F363 HydrophobicContact CD1-CZ 3.64Å; I320-F363 HydrophobicContact CG1-CD1 4.35Å; I320-F363 HydrophobicContact CG1-CE1 3.55Å; I320-F363 HydrophobicContact CG1-CE2 4.38Å; I320-F363 HydrophobicContact CG1-CZ 3.56Å; I320-A365 HydrophobicContact CD1-CB 4.16Å
321	D	96.1	Very high	95.1	Very high	23 Å²	23	36.5 Å²	36.5	12%	0.123	20%	0.195	C	C	.	.			trans	-78.8	110.1	168.1	-169.1	-53.3	0	0	0	108.2	H249 R314 Y315 N323 H324 N325	H249-D321 IonicContact NE2-OD1 3.3Å; H249-D321 PolarHBondContact NE2-OD1 3.23Å; H249-D321 IonicContact NE2-OD2 3.63Å; R314-D321 IonicContact CZ-OD2 3.19Å; R314-D321 IonicContact NE-OD2 3.75Å; R314-D321 PolarHBondContact NE-OD2 3.44Å; R314-D321 VanDerWaalsContact NE-OD2 3.11Å; R314-D321 IonicContact NH2-OD2 2.93Å; R314-D321 PolarHBondContact NH2-OD2 3.38Å; Y315-D321 HydrophobicContact CD1-CB 3.86Å; Y315-D321 HydrophobicContact CE1-CB 3.85Å; D321-N323 PolarHBondContact O-N 3.01Å; D321-N323 PolarHBondContact OD1-N 3.3Å; D321-H324 HydrophobicContact CB-CB 4.45Å; D321-H324 VanDerWaalsContact CG-ND1 3.34Å; D321-H324 PolarHBondContact O-N 3.26Å; D321-H324 IonicContact OD1-ND1 3.3Å; D321-H324 PolarHBondContact OD1-ND1 2.86Å; D321-H324 VanDerWaalsContact OD1-ND1 3.13Å; D321-H324 IonicContact OD2-ND1 3.97Å; D321-N325 PolarHBondContact O-N 2.91Å
322	M	93.9	Very high	95	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-69	-21.5	-173.8	-76.7	-171.7	-70.6	0	0	113.4	M248 M292 N293 I320 H324 N325 A365 E367	M248-M322 HydrophobicContact CG-CB 3.66Å; M248-M322 WeakPolarHBondContact O-CE 3.38Å; M248-M322 HydrophobicContact SD-CB 4.31Å; M292-M322 HydrophobicContact CE-CB 4.27Å; M292-M322 HydrophobicContact CE-SD 3.93Å; M292-M322 HydrophobicContact CG-CE 4.47Å; M292-M322 HydrophobicContact CG-SD 4.35Å; N293-M322 HydrophobicContact CB-CE 3.2Å; N293-M322 WeakPolarHBondContact ND2-CE 3.47Å; I320-M322 PolarHBondContact O-N 3.42Å; M322-H324 PolarHBondContact O-N 2.95Å; M322-N325 PolarHBondContact O-N 3.14Å; M322-A365 HydrophobicContact CG-CB 4.45Å; M322-E367 HydrophobicContact SD-CB 3.47Å; M322-E367 WeakPolarHBondContact SD-CB 3.38Å; M322-E367 HydrophobicContact SD-CG 4.02Å
323	N	92.4	Very high	94.8	Very high	14 Å²	14	33.9 Å²	33.9	8%	0.075	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-80.1	3.7	174.2	-155.8	35.3	0	0	0	113	M248 D321 V459 S462	M248-N323 VanDerWaalsContact SD-CA 3.56Å; M248-N323 HydrophobicContact SD-CB 3.49Å; M248-N323 WeakPolarHBondContact SD-CB 3.48Å; D321-N323 PolarHBondContact O-N 3.01Å; D321-N323 PolarHBondContact OD1-N 3.3Å; N323-V459 WeakPolarHBondContact O-CG1 3.21Å; N323-S462 WeakPolarHBondContact O-CA 3.48Å
324	H	94.6	Very high	94.6	Very high	83 Å²	83	34.9 Å²	34.9	38%	0.384	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-124.5	14.7	171.7	-64.2	78.6	0	0	0	111.9	D321 M322 P460 G461	D321-H324 HydrophobicContact CB-CB 4.45Å; D321-H324 VanDerWaalsContact CG-ND1 3.34Å; D321-H324 PolarHBondContact O-N 3.26Å; D321-H324 IonicContact OD1-ND1 3.3Å; D321-H324 PolarHBondContact OD1-ND1 2.86Å; D321-H324 VanDerWaalsContact OD1-ND1 3.13Å; D321-H324 IonicContact OD2-ND1 3.97Å; M322-H324 PolarHBondContact O-N 2.95Å; H324-P460 WeakPolarHBondContact CA-O 3.42Å; H324-G461 CarbonylContact C-O 3.56Å; H324-G461 WeakPolarHBondContact CA-O 3.23Å
325	N	96.3	Very high	94.2	Very high	13 Å²	13	36.1 Å²	36.1	7%	0.07	19%	0.19	C	C	.	.			trans	-112.3	-8.6	-169.7	-165	-128.9	0	0	0	114.2	I320 D321 M322 Y357 F363 V364 A365 T368 G461	I320-N325 HydrophobicContact CG2-CB 3.81Å; D321-N325 PolarHBondContact O-N 2.91Å; M322-N325 PolarHBondContact O-N 3.14Å; N325-Y357 WeakPolarHBondContact O-CE2 3.34Å; N325-Y357 PolarHBondContact O-OH 3.25Å; N325-F363 PolarHBondContact ND2-O 3.31Å; N325-V364 WeakPolarHBondContact OD1-CA 3.45Å; N325-A365 PolarHBondContact OD1-N 3.36Å; N325-T368 HydrophobicContact CB-CG2 4.42Å; N325-T368 WeakPolarHBondContact OD1-CB 3.28Å; N325-T368 PolarHBondContact OD1-OG1 3.4Å; N325-G461 PolarHBondContact N-O 3.5Å
326	F	97.1	Very high	93.8	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.026	18%	0.184	C	C	.	.	S	Bend	trans	-69.8	159.6	172.4	-71.6	-99.3	0	0	0	110.8	M248 M292 D328 Y357 T368 V371 I372 M375 G461 M463 F466	M248-F326 HydrophobicContact CE-CE2 4.22Å; M292-F326 HydrophobicContact CE-CE2 3.95Å; M292-F326 HydrophobicContact CE-CZ 3.81Å; F326-D328 PolarHBondContact O-N 3.26Å; F326-Y357 WeakPolarHBondContact CA-OH 3.43Å; F326-T368 HydrophobicContact CD1-CG2 4.05Å; F326-T368 HydrophobicContact CD2-CG2 4.03Å; F326-T368 HydrophobicContact CE1-CG2 4.07Å; F326-T368 HydrophobicContact CE2-CG2 4.05Å; F326-T368 HydrophobicContact CG-CG2 4.03Å; F326-T368 HydrophobicContact CZ-CG2 4.07Å; F326-V371 HydrophobicContact CE1-CB 4.47Å; F326-V371 HydrophobicContact CE1-CG1 4.02Å; F326-V371 HydrophobicContact CZ-CB 4.27Å; F326-V371 HydrophobicContact CZ-CG1 3.88Å; F326-I372 HydrophobicContact CD1-CD1 3.98Å; F326-I372 HydrophobicContact CD1-CG1 3.71Å; F326-I372 HydrophobicContact CE1-CD1 4.39Å; F326-I372 HydrophobicContact CE1-CG1 3.73Å; F326-M375 HydrophobicContact CE1-CE 3.79Å; F326-M375 HydrophobicContact CE1-SD 4.3Å; F326-M375 HydrophobicContact CZ-CE 4.27Å; F326-G461 WeakPolarHBondContact CB-O 3.45Å; F326-G461 PolarHBondContact N-O 3.42Å; F326-G461 VanDerWaalsContact O-CA 3.27Å; F326-G461 WeakPolarHBondContact O-CA 3.34Å; F326-M463 HydrophobicContact CD1-CG 4.41Å; F326-M463 HydrophobicContact CD2-CB 3.86Å; F326-M463 HydrophobicContact CD2-CG 4.3Å; F326-M463 HydrophobicContact CE1-CB 4.42Å; F326-M463 HydrophobicContact CE1-CG 3.83Å; F326-M463 HydrophobicContact CE1-SD 4.38Å; F326-M463 HydrophobicContact CE2-CB 3.56Å; F326-M463 HydrophobicContact CE2-CG 3.7Å; F326-M463 HydrophobicContact CE2-SD 4.1Å; F326-M463 HydrophobicContact CG-CB 4.42Å; F326-M463 HydrophobicContact CZ-CB 3.88Å; F326-M463 HydrophobicContact CZ-CG 3.44Å; F326-M463 VanDerWaalsContact CZ-CG 3.44Å; F326-M463 HydrophobicContact CZ-SD 3.64Å; F326-F466 HydrophobicContact CB-CB 3.85Å; F326-F466 HydrophobicContact CB-CD2 4.31Å; F326-F466 HydrophobicContact CB-CG 4.14Å; F326-F466 HydrophobicContact CD1-CB 4.02Å; F326-F466 AromaticContact CD1-CD1 3.84Å; F326-F466 HydrophobicContact CD1-CD1 3.84Å; F326-F466 HydrophobicContact CD1-CD2 4.4Å; F326-F466 HydrophobicContact CD1-CE1 4.46Å; F326-F466 AromaticContact CD1-CG 3.81Å; F326-F466 HydrophobicContact CD1-CG 3.81Å; F326-F466 HydrophobicContact CE1-CD1 4.42Å; F326-F466 HydrophobicContact CG-CB 4.21Å; F326-F466 HydrophobicContact CG-CG 4.39Å
327	A	95.4	Very high	93.4	Very high	3 Å²	3	36.2 Å²	36.2	3%	0.025	20%	0.201	C	C	.	.			trans	-62.6	126.5	178.9	0	0	0	0	0	109.9	L329 I353 Y357 F466	A327-L329 HydrophobicContact CB-CD2 4.22Å; A327-L329 HydrophobicContact CB-CG 4.44Å; A327-L329 PolarHBondContact O-N 3.35Å; A327-I353 HydrophobicContact CB-CG2 4.25Å; A327-Y357 VanDerWaalsContact CA-CE2 3.47Å; A327-Y357 HydrophobicContact CB-CD1 4.07Å; A327-Y357 HydrophobicContact CB-CD2 3.79Å; A327-Y357 HydrophobicContact CB-CE1 4.09Å; A327-Y357 HydrophobicContact CB-CE2 3.82Å; A327-Y357 HydrophobicContact CB-CG 3.92Å; A327-Y357 PolarHBondContact N-OH 2.91Å; A327-F466 HydrophobicContact CB-CD2 4.08Å; A327-F466 HydrophobicContact CB-CE2 4.02Å
328	D	93.4	Very high	93.1	Very high	46 Å²	46	36.8 Å²	36.8	25%	0.246	21%	0.208	C	C	.	.			trans	-69.3	99.4	171.6	173.6	7.6	0	0	0	109.5	F326 N330 S331	F326-D328 PolarHBondContact O-N 3.26Å; D328-N330 PolarHBondContact OD1-N 2.93Å; D328-N330 VanDerWaalsContact OD1-N 3.13Å; D328-S331 PolarHBondContact OD1-N 3.16Å; D328-S331 PolarHBondContact OD1-OG 2.92Å; D328-S331 WeakPolarHBondContact OD2-CB 3.49Å; D328-S331 PolarHBondContact OD2-OG 3.08Å
329	L	95.4	Very high	92.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.223	C	C	.	.			trans	-95.6	-15.5	176.5	-60.1	-177.5	0	0	0	112.2	A327 V332 M333 F351 F466 L469 H470	A327-L329 HydrophobicContact CB-CD2 4.22Å; A327-L329 HydrophobicContact CB-CG 4.44Å; A327-L329 PolarHBondContact O-N 3.35Å; L329-V332 PolarHBondContact O-N 3.36Å; L329-M333 WeakPolarHBondContact O-CB 3.27Å; L329-M333 PolarHBondContact O-N 2.95Å; L329-F351 HydrophobicContact CB-CB 4.42Å; L329-F351 HydrophobicContact CD1-CB 4.21Å; L329-F351 HydrophobicContact CD2-CB 4.29Å; L329-F466 HydrophobicContact CD1-CD2 3.81Å; L329-F466 HydrophobicContact CD1-CE2 4.02Å; L329-F466 HydrophobicContact CG-CD2 4.29Å; L329-L469 HydrophobicContact CB-CB 3.87Å; L329-L469 HydrophobicContact CB-CD1 3.69Å; L329-L469 HydrophobicContact CB-CG 4.43Å; L329-L469 HydrophobicContact CD1-CB 4Å; L329-H470 HydrophobicContact CD1-CB 3.62Å
330	N	94.6	Very high	92.4	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.011	21%	0.213	C	C	.	.	H	α-helix	trans	-64.6	-48.6	177.5	-57.4	63	0	0	0	110	D328 V332 M333 W334 Y397 M399 D465 L469	D328-N330 PolarHBondContact OD1-N 2.93Å; D328-N330 VanDerWaalsContact OD1-N 3.13Å; N330-V332 VanDerWaalsContact C-N 3.27Å; N330-V332 PolarHBondContact O-N 3.06Å; N330-M333 PolarHBondContact O-N 2.96Å; N330-W334 HydrophobicContact CB-CD2 4.46Å; N330-W334 HydrophobicContact CB-CE3 4.08Å; N330-W334 HydrophobicContact CB-CH2 3.72Å; N330-W334 HydrophobicContact CB-CZ2 4.11Å; N330-W334 HydrophobicContact CB-CZ3 3.69Å; N330-W334 PolarHBondContact O-N 3.13Å; N330-Y397 VanDerWaalsContact ND2-CD1 3.35Å; N330-Y397 WeakPolarHBondContact ND2-CD1 3.37Å; N330-M399 HydrophobicContact CB-CB 4.25Å; N330-M399 HydrophobicContact CB-CG 4.43Å; N330-M399 HydrophobicContact CB-SD 3.72Å; N330-D465 PolarHBondContact ND2-OD2 3.03Å; N330-D465 WeakPolarHBondContact OD1-CB 3.31Å; N330-D465 PolarHBondContact OD1-OD2 3.24Å; N330-L469 HydrophobicContact CB-CD1 4.42Å; N330-L469 WeakPolarHBondContact OD1-CD1 3.44Å
331	S	92.4	Very high	91.7	Very high	33 Å²	33	46.1 Å²	46.1	23%	0.231	25%	0.251	C	S	.	.	H	α-helix	trans	-58.6	-40.3	175.2	-69.1	0	0	0	0	111.9	D328 T335 M399	D328-S331 PolarHBondContact OD1-N 3.16Å; D328-S331 PolarHBondContact OD1-OG 2.92Å; D328-S331 WeakPolarHBondContact OD2-CB 3.49Å; D328-S331 PolarHBondContact OD2-OG 3.08Å; S331-T335 WeakPolarHBondContact O-CB 3.5Å; S331-T335 PolarHBondContact O-N 3.42Å; S331-T335 PolarHBondContact O-OG1 2.76Å; S331-M399 WeakPolarHBondContact OG-CE 3.35Å
332	V	91.1	Very high	91	Very high	54 Å²	54	48 Å²	48	33%	0.327	26%	0.261	S	S	.	.	H	α-helix	trans	-63.9	-46.8	177.5	179.1	0	0	0	0	110.7	L329 N330 A336 F351 P354	L329-V332 PolarHBondContact O-N 3.36Å; N330-V332 VanDerWaalsContact C-N 3.27Å; N330-V332 PolarHBondContact O-N 3.06Å; V332-A336 WeakPolarHBondContact O-CB 3.41Å; V332-A336 PolarHBondContact O-N 3.48Å; V332-F351 HydrophobicContact CG1-CD1 4.13Å; V332-P354 HydrophobicContact CG2-CG 4.38Å
333	M	92.2	Very high	90.1	Very high	16 Å²	16	55.9 Å²	55.9	8%	0.079	30%	0.298	C	S	.	.	H	α-helix	trans	-60.7	-53.5	177.5	174.7	179	70.8	0	0	111.7	L329 N330 T335 A336 I337 F351 Y397 L469	L329-M333 WeakPolarHBondContact O-CB 3.27Å; L329-M333 PolarHBondContact O-N 2.95Å; N330-M333 PolarHBondContact O-N 2.96Å; M333-T335 PolarHBondContact O-N 3.24Å; M333-A336 WeakPolarHBondContact O-CB 2.96Å; M333-A336 PolarHBondContact O-N 3.26Å; M333-I337 HydrophobicContact CG-CD1 3.81Å; M333-I337 WeakPolarHBondContact O-CG1 3.39Å; M333-I337 PolarHBondContact O-N 3.01Å; M333-F351 HydrophobicContact CB-CD1 4.5Å; M333-F351 HydrophobicContact CB-CE1 3.78Å; M333-F351 HydrophobicContact CB-CE2 3.91Å; M333-F351 HydrophobicContact CB-CZ 3.44Å; M333-F351 VanDerWaalsContact CB-CZ 3.44Å; M333-F351 HydrophobicContact CG-CE1 4.22Å; M333-F351 HydrophobicContact CG-CE2 3.98Å; M333-F351 HydrophobicContact CG-CZ 3.48Å; M333-F351 VanDerWaalsContact CG-CZ 3.48Å; M333-F351 HydrophobicContact SD-CE2 4.08Å; M333-F351 HydrophobicContact SD-CZ 4.15Å; M333-Y397 HydrophobicContact CE-CE1 4.46Å; M333-Y397 HydrophobicContact CE-CE2 4.02Å; M333-L469 HydrophobicContact CE-CD2 4.22Å; M333-L469 HydrophobicContact SD-CD2 3.66Å
334	W	91.5	Very high	89.3	Confident	27 Å²	27	60 Å²	60	10%	0.102	33%	0.328	C	S	.	.	H	α-helix	trans	-64.9	-40	-177.1	-63.4	-38.6	0	0	0	112.2	N330 A336 I337 E338 M399 T400 R401 T409	N330-W334 HydrophobicContact CB-CD2 4.46Å; N330-W334 HydrophobicContact CB-CE3 4.08Å; N330-W334 HydrophobicContact CB-CH2 3.72Å; N330-W334 HydrophobicContact CB-CZ2 4.11Å; N330-W334 HydrophobicContact CB-CZ3 3.69Å; N330-W334 PolarHBondContact O-N 3.13Å; W334-A336 VanDerWaalsContact C-N 3.31Å; W334-A336 PolarHBondContact O-N 2.6Å; W334-I337 PolarHBondContact O-N 3.4Å; W334-E338 WeakPolarHBondContact O-CG 3.22Å; W334-E338 PolarHBondContact O-N 3.34Å; W334-M399 HydrophobicContact CH2-CB 4.12Å; W334-M399 HydrophobicContact CH2-CG 3.98Å; W334-M399 WeakPolarHBondContact CH2-O 3.34Å; W334-M399 HydrophobicContact CH2-SD 4.45Å; W334-M399 HydrophobicContact CZ3-CE 4.11Å; W334-M399 HydrophobicContact CZ3-CG 3.95Å; W334-M399 HydrophobicContact CZ3-SD 3.97Å; W334-T400 WeakPolarHBondContact CZ3-O 3.47Å; W334-R401 HydrophobicContact CD2-CG 4.18Å; W334-R401 HydrophobicContact CE3-CB 4.48Å; W334-R401 HydrophobicContact CE3-CG 4.23Å; W334-R401 HydrophobicContact CG-CG 4.49Å; W334-R401 HydrophobicContact CH2-CB 4.5Å; W334-R401 HydrophobicContact CZ3-CB 4.43Å; W334-T409 HydrophobicContact CH2-CG2 4.38Å; W334-T409 HydrophobicContact CZ2-CG2 3.85Å
335	T	89.6	Confident	88.4	Confident	71 Å²	71	62.1 Å²	62.1	44%	0.436	34%	0.336	S	S	.	.	H	α-helix	trans	-60.4	-41.9	173.7	-59.2	0	0	0	0	111.3	S331 M333 E338 L339	S331-T335 WeakPolarHBondContact O-CB 3.5Å; S331-T335 PolarHBondContact O-N 3.42Å; S331-T335 PolarHBondContact O-OG1 2.76Å; M333-T335 PolarHBondContact O-N 3.24Å; T335-E338 PolarHBondContact O-N 2.91Å; T335-L339 HydrophobicContact CG2-CD1 3.67Å; T335-L339 HydrophobicContact CG2-CG 4.32Å; T335-L339 WeakPolarHBondContact O-CB 3.35Å; T335-L339 WeakPolarHBondContact O-CG 3.39Å; T335-L339 PolarHBondContact O-N 3.17Å; T335-L339 VanDerWaalsContact O-N 3.07Å
336	A	88.1	Confident	87.7	Confident	35 Å²	35	63.6 Å²	63.6	29%	0.289	34%	0.344	S	S	.	.	H	α-helix	trans	-63.5	-43.5	176.7	0	0	0	0	0	111.8	V332 M333 W334 E338 L339 E340 L346	V332-A336 WeakPolarHBondContact O-CB 3.41Å; V332-A336 PolarHBondContact O-N 3.48Å; M333-A336 WeakPolarHBondContact O-CB 2.96Å; M333-A336 PolarHBondContact O-N 3.26Å; W334-A336 VanDerWaalsContact C-N 3.31Å; W334-A336 PolarHBondContact O-N 2.6Å; A336-E338 VanDerWaalsContact C-N 3.29Å; A336-E338 PolarHBondContact O-N 3.34Å; A336-L339 PolarHBondContact O-N 3.46Å; A336-E340 VanDerWaalsContact O-CB 3.3Å; A336-E340 WeakPolarHBondContact O-CB 3.2Å; A336-E340 PolarHBondContact O-N 2.93Å; A336-L346 HydrophobicContact CB-CD2 4.22Å; A336-L346 WeakPolarHBondContact O-CD2 3.38Å
337	I	87.3	Confident	87	Confident	78 Å²	78	67.6 Å²	67.6	40%	0.4	37%	0.365	S	S	.	.	H	α-helix	trans	-60.2	-39	176.9	-69.4	166.5	0	0	0	111.5	M333 W334 L346	M333-I337 HydrophobicContact CG-CD1 3.81Å; M333-I337 WeakPolarHBondContact O-CG1 3.39Å; M333-I337 PolarHBondContact O-N 3.01Å; W334-I337 PolarHBondContact O-N 3.4Å; I337-L346 HydrophobicContact CG1-CD1 4.46Å; I337-L346 HydrophobicContact CG1-CD2 4.43Å
338	E	87.9	Confident	86.6	Confident	123 Å²	123	68.2 Å²	68.2	58%	0.575	37%	0.368	S	S	*	.	H	α-helix	trans	-74.5	-35.7	-179	-73.4	174.9	-171.7	0	0	113.3	W334 T335 A336 R401	W334-E338 WeakPolarHBondContact O-CG 3.22Å; W334-E338 PolarHBondContact O-N 3.34Å; T335-E338 PolarHBondContact O-N 2.91Å; A336-E338 VanDerWaalsContact C-N 3.29Å; A336-E338 PolarHBondContact O-N 3.34Å; E338-R401 IonicContact OE1-CZ 3.23Å; E338-R401 IonicContact OE1-NE 3.92Å; E338-R401 PolarHBondContact OE1-NE 3.21Å; E338-R401 IonicContact OE1-NH2 3.68Å; E338-R401 PolarHBondContact OE1-NH2 3.2Å
339	L	88.2	Confident	86.5	Confident	135 Å²	135	66.3 Å²	66.3	71%	0.707	36%	0.357	S	S	*	.	H	α-helix	trans	-91.2	-29.3	-174	-65.4	178	0	0	0	114.1	T335 A336	T335-L339 HydrophobicContact CG2-CD1 3.67Å; T335-L339 HydrophobicContact CG2-CG 4.32Å; T335-L339 WeakPolarHBondContact O-CB 3.35Å; T335-L339 WeakPolarHBondContact O-CG 3.39Å; T335-L339 PolarHBondContact O-N 3.17Å; T335-L339 VanDerWaalsContact O-N 3.07Å; A336-L339 PolarHBondContact O-N 3.46Å
340	E	86.9	Confident	86.4	Confident	65 Å²	65	69.8 Å²	69.8	30%	0.304	37%	0.371	S	S	.	.			trans	-85.9	121.5	-175.5	-177.2	56.7	-98.1	0	0	111.7	A336 D342 K345 L346	A336-E340 VanDerWaalsContact O-CB 3.3Å; A336-E340 WeakPolarHBondContact O-CB 3.2Å; A336-E340 PolarHBondContact O-N 2.93Å; E340-D342 VanDerWaalsContact CG-O 3.29Å; E340-D342 WeakPolarHBondContact CG-O 3.45Å; E340-D342 WeakPolarHBondContact OE1-CB 3.29Å; E340-D342 PolarHBondContact OE1-N 2.97Å; E340-K345 HydrophobicContact CG-CB 4.17Å; E340-K345 IonicContact OE1-NZ 3.15Å; E340-K345 WeakPolarHBondContact OE2-CD 3.33Å; E340-L346 HydrophobicContact CB-CD2 3.66Å; E340-L346 HydrophobicContact CB-CG 4.2Å; E340-L346 HydrophobicContact CG-CD2 4.08Å; E340-L346 HydrophobicContact CG-CG 4.15Å
341	T	80.8	Confident	86.3	Confident	141 Å²	141	70 Å²	70	87%	0.865	37%	0.371	S	S	*	.	S	Bend	trans	-86.6	-20.5	179.9	55.4	0	0	0	0	112.4
342	D	82.1	Confident	86.3	Confident	61 Å²	61	72.4 Å²	72.4	33%	0.326	39%	0.386	S	S	.	.			trans	-101.5	97.4	177.2	-175.5	-4.2	0	0	0	110.7	E340 S344 K345	E340-D342 VanDerWaalsContact CG-O 3.29Å; E340-D342 WeakPolarHBondContact CG-O 3.45Å; E340-D342 WeakPolarHBondContact OE1-CB 3.29Å; E340-D342 PolarHBondContact OE1-N 2.97Å; D342-S344 VanDerWaalsContact CG-OG 3.23Å; D342-S344 PolarHBondContact O-N 3.2Å; D342-S344 WeakPolarHBondContact OD1-CB 3.3Å; D342-S344 PolarHBondContact OD1-N 3.03Å; D342-S344 PolarHBondContact OD1-OG 2.71Å; D342-S344 PolarHBondContact OD2-OG 2.98Å; D342-K345 HydrophobicContact CB-CD 4.14Å; D342-K345 HydrophobicContact CB-CG 4.28Å; D342-K345 PolarHBondContact O-N 3.23Å; D342-K345 VanDerWaalsContact OD2-CE 3.25Å; D342-K345 WeakPolarHBondContact OD2-CE 3.41Å; D342-K345 IonicContact OD2-NZ 2.74Å
343	Q	75.9	Confident	86.5	Confident	168 Å²	168	71.2 Å²	71.2	79%	0.785	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-53.4	-24	178.2	-71.8	-176.9	-21.1	0	0	113.7	K345 L346	Q343-K345 PolarHBondContact O-N 2.97Å; Q343-L346 HydrophobicContact CG-CD1 4.43Å; Q343-L346 PolarHBondContact O-N 3.41Å
344	S	74.6	Confident	86.4	Confident	101 Å²	101	72.4 Å²	72.4	71%	0.706	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-70.9	-13.1	178.5	74.6	0	0	0	0	114.1	D342	D342-S344 VanDerWaalsContact CG-OG 3.23Å; D342-S344 PolarHBondContact O-N 3.2Å; D342-S344 WeakPolarHBondContact OD1-CB 3.3Å; D342-S344 PolarHBondContact OD1-N 3.03Å; D342-S344 PolarHBondContact OD1-OG 2.71Å; D342-S344 PolarHBondContact OD2-OG 2.98Å
345	K	76.2	Confident	86.2	Confident	127 Å²	127	78.9 Å²	78.9	55%	0.552	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-99.4	-11	177.4	-62.4	179.1	-167.5	151.7	0	113.7	E340 D342 Q343 I347	E340-K345 HydrophobicContact CG-CB 4.17Å; E340-K345 IonicContact OE1-NZ 3.15Å; E340-K345 WeakPolarHBondContact OE2-CD 3.33Å; D342-K345 HydrophobicContact CB-CD 4.14Å; D342-K345 HydrophobicContact CB-CG 4.28Å; D342-K345 PolarHBondContact O-N 3.23Å; D342-K345 VanDerWaalsContact OD2-CE 3.25Å; D342-K345 WeakPolarHBondContact OD2-CE 3.41Å; D342-K345 IonicContact OD2-NZ 2.74Å; Q343-K345 PolarHBondContact O-N 2.97Å; K345-I347 PolarHBondContact O-N 3.4Å
346	L	81.4	Confident	86.1	Confident	44 Å²	44	82.1 Å²	82.1	23%	0.23	43%	0.428	C	S	.	.			trans	-65.3	123.5	178	-73.9	174.1	0	0	0	109.6	A336 I337 E340 Q343	A336-L346 HydrophobicContact CB-CD2 4.22Å; A336-L346 WeakPolarHBondContact O-CD2 3.38Å; I337-L346 HydrophobicContact CG1-CD1 4.46Å; I337-L346 HydrophobicContact CG1-CD2 4.43Å; E340-L346 HydrophobicContact CB-CD2 3.66Å; E340-L346 HydrophobicContact CB-CG 4.2Å; E340-L346 HydrophobicContact CG-CD2 4.08Å; E340-L346 HydrophobicContact CG-CG 4.15Å; Q343-L346 HydrophobicContact CG-CD1 4.43Å; Q343-L346 PolarHBondContact O-N 3.41Å
347	I	82.7	Confident	86.2	Confident	90 Å²	90	82.1 Å²	82.1	46%	0.462	42%	0.421	S	S	.	.			trans	-81.2	129.7	166	-58.8	171.1	0	0	0	105.6	K345 H349 F351	K345-I347 PolarHBondContact O-N 3.4Å; I347-H349 WeakPolarHBondContact CG2-O 3.49Å; I347-F351 HydrophobicContact CB-CE1 4.44Å; I347-F351 WeakPolarHBondContact O-CE1 3.46Å; I347-F351 WeakPolarHBondContact O-CZ 3.21Å
348	N	86.6	Confident	86.2	Confident	16 Å²	16	82.6 Å²	82.6	9%	0.086	43%	0.428	C	S	.	.			trans	-119.4	6.7	178.9	63	5.5	0	0	0	112.4	D537 H538 H539	N348-D537 PolarHBondContact ND2-OD1 3.07Å; N348-H538 PolarHBondContact O-ND1 3.39Å; N348-H539 PolarHBondContact ND2-CD2 2.84Å; N348-H539 PolarHBondContact ND2-CE1 2.9Å; N348-H539 PolarHBondContact ND2-NE2 2.98Å; N348-H539 VanDerWaalsContact ND2-NE2 3.16Å; N348-H539 PolarHBondContact OD1-N 3.35Å; N348-H539 PolarHBondContact OD1-ND1 3.49Å
349	H	91.1	Very high	86.2	Confident	6 Å²	6	78.9 Å²	78.9	3%	0.028	42%	0.415	C	S	.	.	S	Bend	trans	-164.6	145.1	-178.5	171.3	81.4	0	0	0	110.5	I347 T471 N472 H538 H539	I347-H349 WeakPolarHBondContact CG2-O 3.49Å; H349-T471 PolarHBondContact CE1-O 2.79Å; H349-T471 PolarHBondContact ND1-O 3.22Å; H349-N472 PolarHBondContact CE1-OD1 2.97Å; H349-N472 PolarHBondContact NE2-OD1 3.02Å; H349-H538 AromaticContact CG-CE1 3.94Å; H349-H538 AromaticContact ND1-CE1 3.29Å; H349-H538 PolarHBondContact ND1-CE1 3.41Å; H349-H538 VanDerWaalsContact ND1-CE1 3.29Å; H349-H538 AromaticContact ND1-NE2 3.42Å; H349-H538 PolarHBondContact ND1-NE2 3.11Å; H349-H539 HydrophobicContact CB-CB 4.34Å; H349-H539 WeakPolarHBondContact CB-O 3.35Å; H349-H539 PolarHBondContact CD2-O 2.98Å; H349-H539 PolarHBondContact ND1-O 2.93Å; H349-H539 VanDerWaalsContact ND1-O 3.09Å
350	Y	92.8	Very high	85.8	Confident	72 Å²	72	82 Å²	82	28%	0.282	43%	0.426	S	S	.	.	S	Bend	trans	65.3	49.1	-178	-137	-84.8	0	0	0	112.5	L469 H470 R541	Y350-L469 WeakPolarHBondContact CA-O 3.46Å; Y350-L469 PolarHBondContact N-O 3.44Å; Y350-H470 WeakPolarHBondContact CD2-O 3.4Å; Y350-H470 WeakPolarHBondContact CE2-O 3.27Å; Y350-R541 VanDerWaalsContact CB-CZ 3.49Å
351	F	94.3	Very high	85.6	Confident	6 Å²	6	88 Å²	88	3%	0.026	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-60.6	129.8	176.6	-75.8	-86.6	0	0	0	110.3	L329 V332 M333 I347 I353 L469 H470	L329-F351 HydrophobicContact CB-CB 4.42Å; L329-F351 HydrophobicContact CD1-CB 4.21Å; L329-F351 HydrophobicContact CD2-CB 4.29Å; V332-F351 HydrophobicContact CG1-CD1 4.13Å; M333-F351 HydrophobicContact CB-CD1 4.5Å; M333-F351 HydrophobicContact CB-CE1 3.78Å; M333-F351 HydrophobicContact CB-CE2 3.91Å; M333-F351 HydrophobicContact CB-CZ 3.44Å; M333-F351 VanDerWaalsContact CB-CZ 3.44Å; M333-F351 HydrophobicContact CG-CE1 4.22Å; M333-F351 HydrophobicContact CG-CE2 3.98Å; M333-F351 HydrophobicContact CG-CZ 3.48Å; M333-F351 VanDerWaalsContact CG-CZ 3.48Å; M333-F351 HydrophobicContact SD-CE2 4.08Å; M333-F351 HydrophobicContact SD-CZ 4.15Å; I347-F351 HydrophobicContact CB-CE1 4.44Å; I347-F351 WeakPolarHBondContact O-CE1 3.46Å; I347-F351 WeakPolarHBondContact O-CZ 3.21Å; F351-I353 PolarHBondContact O-N 3.36Å; F351-L469 HydrophobicContact CD2-CB 4.08Å; F351-L469 HydrophobicContact CD2-CD2 4.08Å; F351-L469 WeakPolarHBondContact CD2-O 3.06Å; F351-L469 HydrophobicContact CE2-CD2 3.93Å; F351-L469 PolarHBondContact N-O 3.48Å; F351-H470 PolarHBondContact O-CE1 2.99Å; F351-H470 PolarHBondContact O-ND1 3.38Å
352	P	92.4	Very high	85.9	Confident	84 Å²	84	82.3 Å²	82.3	55%	0.545	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-63.8	139.5	179	27.3	-33.8	0	0	0	110.7
353	I	93.6	Very high	86.4	Confident	30 Å²	30	86.7 Å²	86.7	15%	0.154	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-64.3	129.1	172	-57.2	179.3	0	0	0	107.9	A327 F351 E355 Y357 T358 I372 F466	A327-I353 HydrophobicContact CB-CG2 4.25Å; F351-I353 PolarHBondContact O-N 3.36Å; I353-E355 PolarHBondContact O-N 3.19Å; I353-Y357 HydrophobicContact CG2-CD1 3.56Å; I353-Y357 HydrophobicContact CG2-CE1 4.43Å; I353-Y357 HydrophobicContact CG2-CG 4.05Å; I353-T358 HydrophobicContact CG2-CG2 3.93Å; I353-I372 HydrophobicContact CD1-CG2 3.69Å; I353-F466 HydrophobicContact CD1-CE2 4.12Å; I353-F466 HydrophobicContact CD1-CZ 3.89Å; I353-F466 HydrophobicContact CG1-CE2 4.11Å; I353-F466 HydrophobicContact CG1-CZ 4.27Å
354	P	90.9	Very high	87.2	Confident	40 Å²	40	79.4 Å²	79.4	26%	0.26	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-55.6	135.8	177.8	-26.1	34.6	0	0	0	112.1	V332 Q356 Y357 T358	V332-P354 HydrophobicContact CG2-CG 4.38Å; P354-Q356 PolarHBondContact O-N 3.01Å; P354-Q356 VanDerWaalsContact O-N 3.14Å; P354-Y357 VanDerWaalsContact O-CB 3.27Å; P354-Y357 WeakPolarHBondContact O-CB 3.38Å; P354-Y357 PolarHBondContact O-N 2.7Å; P354-T358 PolarHBondContact O-N 2.78Å
355	E	87.8	Confident	88.2	Confident	163 Å²	163	74.6 Å²	74.6	76%	0.762	37%	0.372	S	S	*	.	H	α-helix	trans	-55.5	-37.5	-177.6	-69.5	-176.5	174.5	0	0	112	I353 Y357 T358 S359	I353-E355 PolarHBondContact O-N 3.19Å; E355-Y357 VanDerWaalsContact C-N 3.25Å; E355-Y357 PolarHBondContact O-N 3.17Å; E355-T358 PolarHBondContact O-N 2.68Å; E355-T358 VanDerWaalsContact O-N 3.09Å; E355-T358 PolarHBondContact O-OG1 3.3Å; E355-S359 PolarHBondContact O-N 2.85Å
356	Q	86.9	Confident	89.2	Confident	139 Å²	139	70.5 Å²	70.5	65%	0.65	36%	0.358	S	S	*	.	H	α-helix	trans	-59.3	-36.6	177.5	-61.8	80.1	5.4	0	0	111.9	P354 T358 S359 A362	P354-Q356 PolarHBondContact O-N 3.01Å; P354-Q356 VanDerWaalsContact O-N 3.14Å; Q356-T358 VanDerWaalsContact C-N 3.28Å; Q356-T358 PolarHBondContact O-N 2.89Å; Q356-S359 WeakPolarHBondContact O-CB 3.45Å; Q356-S359 PolarHBondContact O-N 3.35Å; Q356-S359 PolarHBondContact O-OG 2.85Å; Q356-A362 WeakPolarHBondContact O-CB 3.31Å
357	Y	89.9	Confident	90	Very high	36 Å²	36	68.4 Å²	68.4	14%	0.141	35%	0.347	C	S	.	.	H	α-helix	trans	-69	-29	179.6	-171.5	-85.8	0	0	0	112	N325 F326 A327 I353 P354 E355 S359 A362 V364 T368 R369 I372	N325-Y357 WeakPolarHBondContact O-CE2 3.34Å; N325-Y357 PolarHBondContact O-OH 3.25Å; F326-Y357 WeakPolarHBondContact CA-OH 3.43Å; A327-Y357 VanDerWaalsContact CA-CE2 3.47Å; A327-Y357 HydrophobicContact CB-CD1 4.07Å; A327-Y357 HydrophobicContact CB-CD2 3.79Å; A327-Y357 HydrophobicContact CB-CE1 4.09Å; A327-Y357 HydrophobicContact CB-CE2 3.82Å; A327-Y357 HydrophobicContact CB-CG 3.92Å; A327-Y357 PolarHBondContact N-OH 2.91Å; I353-Y357 HydrophobicContact CG2-CD1 3.56Å; I353-Y357 HydrophobicContact CG2-CE1 4.43Å; I353-Y357 HydrophobicContact CG2-CG 4.05Å; P354-Y357 VanDerWaalsContact O-CB 3.27Å; P354-Y357 WeakPolarHBondContact O-CB 3.38Å; P354-Y357 PolarHBondContact O-N 2.7Å; E355-Y357 VanDerWaalsContact C-N 3.25Å; E355-Y357 PolarHBondContact O-N 3.17Å; Y357-S359 VanDerWaalsContact C-N 3.33Å; Y357-A362 WeakPolarHBondContact O-CB 3.48Å; Y357-V364 HydrophobicContact CD1-CG2 4.32Å; Y357-V364 HydrophobicContact CD2-CG2 3.94Å; Y357-V364 HydrophobicContact CE1-CG1 4.05Å; Y357-V364 HydrophobicContact CE1-CG2 3.95Å; Y357-V364 HydrophobicContact CE2-CG1 4.48Å; Y357-V364 HydrophobicContact CE2-CG2 3.52Å; Y357-V364 HydrophobicContact CG-CG2 4.31Å; Y357-V364 VanDerWaalsContact OH-CG1 3.28Å; Y357-V364 WeakPolarHBondContact OH-CG1 3.36Å; Y357-T368 WeakPolarHBondContact OH-CG2 3.45Å; Y357-R369 PolarHBondContact O-NH1 3.01Å; Y357-I372 HydrophobicContact CE1-CD1 3.59Å; Y357-I372 WeakPolarHBondContact OH-CD1 3.38Å
358	T	87	Confident	90.7	Very high	88 Å²	88	64.1 Å²	64.1	54%	0.54	33%	0.325	S	S	.	.	H	α-helix	trans	-83	-7.6	177	62.9	0	0	0	0	114.1	I353 P354 E355 Q356	I353-T358 HydrophobicContact CG2-CG2 3.93Å; P354-T358 PolarHBondContact O-N 2.78Å; E355-T358 PolarHBondContact O-N 2.68Å; E355-T358 VanDerWaalsContact O-N 3.09Å; E355-T358 PolarHBondContact O-OG1 3.3Å; Q356-T358 VanDerWaalsContact C-N 3.28Å; Q356-T358 PolarHBondContact O-N 2.89Å
359	S	88.2	Confident	91.1	Very high	45 Å²	45	67 Å²	67	32%	0.315	34%	0.335	S	S	.	.	S	Bend	trans	-67.1	153.5	179	72.7	0	0	0	0	112.5	E355 Q356 Y357 E361 A362 R369	E355-S359 PolarHBondContact O-N 2.85Å; Q356-S359 WeakPolarHBondContact O-CB 3.45Å; Q356-S359 PolarHBondContact O-N 3.35Å; Q356-S359 PolarHBondContact O-OG 2.85Å; Y357-S359 VanDerWaalsContact C-N 3.33Å; S359-E361 PolarHBondContact O-N 3.44Å; S359-A362 WeakPolarHBondContact O-CB 3.4Å; S359-A362 PolarHBondContact O-N 2.92Å; S359-A362 PolarHBondContact OG-N 3.49Å; S359-R369 PolarHBondContact O-NH2 3.04Å
360	E	80.4	Confident	91.4	Very high	199 Å²	199	67.2 Å²	67.2	93%	0.93	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.2	174.6	-66.6	-174.9	173.7	0	0	112.2	A362	E360-A362 VanDerWaalsContact C-N 3.32Å
361	E	82.2	Confident	91.7	Very high	191 Å²	191	63.8 Å²	63.8	89%	0.893	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-10.6	178.3	-61.4	179.8	179.4	0	0	112.8	S359 F363	S359-E361 PolarHBondContact O-N 3.44Å; E361-F363 PolarHBondContact O-N 3.07Å
362	A	88.1	Confident	91.9	Very high	23 Å²	23	64 Å²	64	19%	0.19	33%	0.325	C	S	.	.	S	Bend	trans	-68.6	133.7	-179.8	0	0	0	0	0	111.2	Q356 Y357 S359 E360 V364 R369	Q356-A362 WeakPolarHBondContact O-CB 3.31Å; Y357-A362 WeakPolarHBondContact O-CB 3.48Å; S359-A362 WeakPolarHBondContact O-CB 3.4Å; S359-A362 PolarHBondContact O-N 2.92Å; S359-A362 PolarHBondContact OG-N 3.49Å; E360-A362 VanDerWaalsContact C-N 3.32Å; A362-V364 HydrophobicContact CB-CG2 3.97Å; A362-V364 PolarHBondContact O-N 3.15Å; A362-R369 PolarHBondContact O-NH2 2.98Å
363	F	90.9	Very high	92.1	Very high	152 Å²	152	62.5 Å²	62.5	67%	0.667	32%	0.317	S	S	*	.			trans	-75	70	178.2	-163.3	-111.6	0	0	0	111.2	I320 N325 E361	I320-F363 HydrophobicContact CD1-CD1 4.04Å; I320-F363 HydrophobicContact CD1-CD2 4.38Å; I320-F363 HydrophobicContact CD1-CE1 3.67Å; I320-F363 HydrophobicContact CD1-CE2 4.01Å; I320-F363 HydrophobicContact CD1-CG 4.39Å; I320-F363 HydrophobicContact CD1-CZ 3.64Å; I320-F363 HydrophobicContact CG1-CD1 4.35Å; I320-F363 HydrophobicContact CG1-CE1 3.55Å; I320-F363 HydrophobicContact CG1-CE2 4.38Å; I320-F363 HydrophobicContact CG1-CZ 3.56Å; N325-F363 PolarHBondContact ND2-O 3.31Å; E361-F363 PolarHBondContact O-N 3.07Å
364	V	94.5	Very high	92.3	Very high	15 Å²	15	61.4 Å²	61.4	9%	0.091	31%	0.311	C	S	.	.			trans	-127.3	120.8	-177.6	-174.5	0	0	0	0	109	N325 Y357 A362 T368 R369	N325-V364 WeakPolarHBondContact OD1-CA 3.45Å; Y357-V364 HydrophobicContact CD1-CG2 4.32Å; Y357-V364 HydrophobicContact CD2-CG2 3.94Å; Y357-V364 HydrophobicContact CE1-CG1 4.05Å; Y357-V364 HydrophobicContact CE1-CG2 3.95Å; Y357-V364 HydrophobicContact CE2-CG1 4.48Å; Y357-V364 HydrophobicContact CE2-CG2 3.52Å; Y357-V364 HydrophobicContact CG-CG2 4.31Å; Y357-V364 VanDerWaalsContact OH-CG1 3.28Å; Y357-V364 WeakPolarHBondContact OH-CG1 3.36Å; A362-V364 HydrophobicContact CB-CG2 3.97Å; A362-V364 PolarHBondContact O-N 3.15Å; V364-T368 HydrophobicContact CG1-CG2 3.93Å; V364-R369 HydrophobicContact CB-CG 4.29Å; V364-R369 HydrophobicContact CG1-CG 3.66Å; V364-R369 PolarHBondContact O-NE 2.92Å
365	A	95.4	Very high	92.7	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.3	C	S	.	.			trans	-60.4	144.4	-178.6	0	0	0	0	0	111	I320 M322 N325 E367 T368 R369	I320-A365 HydrophobicContact CD1-CB 4.16Å; M322-A365 HydrophobicContact CG-CB 4.45Å; N325-A365 PolarHBondContact OD1-N 3.36Å; A365-E367 WeakPolarHBondContact CB-OE2 3.49Å; A365-E367 PolarHBondContact O-N 3.36Å; A365-T368 WeakPolarHBondContact O-CB 3.16Å; A365-T368 PolarHBondContact O-N 3.43Å; A365-T368 VanDerWaalsContact O-N 3.08Å; A365-R369 PolarHBondContact O-N 2.99Å; A365-R369 VanDerWaalsContact O-N 3.09Å
366	P	95.9	Very high	93	Very high	42 Å²	42	56.1 Å²	56.1	27%	0.273	28%	0.283	S	S	.	.	H	α-helix	trans	-59.4	-32	179.1	22.6	-31.7	0	0	0	112.5	R369 A370	P366-R369 PolarHBondContact O-N 3.23Å; P366-A370 WeakPolarHBondContact O-CB 3.37Å; P366-A370 PolarHBondContact O-N 3.05Å
367	E	97.9	Very high	93.5	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.3	-46.8	173.8	-60.7	82.5	179.2	0	0	111.6	S217 Y218 L223 M292 M322 A365 R369 A370 V371	S217-E367 WeakPolarHBondContact CA-OE1 3.39Å; S217-E367 WeakPolarHBondContact CB-OE1 3.25Å; Y218-E367 PolarHBondContact N-OE1 3.34Å; Y218-E367 VanDerWaalsContact N-OE1 3.09Å; L223-E367 HydrophobicContact CD1-CG 4.31Å; L223-E367 HydrophobicContact CD2-CB 4.14Å; L223-E367 HydrophobicContact CD2-CG 4.28Å; M292-E367 HydrophobicContact CG-CB 4.45Å; M292-E367 WeakPolarHBondContact O-CG 3.46Å; M322-E367 HydrophobicContact SD-CB 3.47Å; M322-E367 WeakPolarHBondContact SD-CB 3.38Å; M322-E367 HydrophobicContact SD-CG 4.02Å; A365-E367 WeakPolarHBondContact CB-OE2 3.49Å; A365-E367 PolarHBondContact O-N 3.36Å; E367-R369 PolarHBondContact O-N 2.92Å; E367-A370 WeakPolarHBondContact O-CB 3.43Å; E367-A370 PolarHBondContact O-N 2.83Å; E367-V371 WeakPolarHBondContact O-CG2 3.44Å; E367-V371 PolarHBondContact O-N 3.28Å
368	T	97.4	Very high	93.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.6	-45.3	176.8	-51.9	0	0	0	0	110.7	N325 F326 Y357 V364 A365 A370 V371 I372	N325-T368 HydrophobicContact CB-CG2 4.42Å; N325-T368 WeakPolarHBondContact OD1-CB 3.28Å; N325-T368 PolarHBondContact OD1-OG1 3.4Å; F326-T368 HydrophobicContact CD1-CG2 4.05Å; F326-T368 HydrophobicContact CD2-CG2 4.03Å; F326-T368 HydrophobicContact CE1-CG2 4.07Å; F326-T368 HydrophobicContact CE2-CG2 4.05Å; F326-T368 HydrophobicContact CG-CG2 4.03Å; F326-T368 HydrophobicContact CZ-CG2 4.07Å; Y357-T368 WeakPolarHBondContact OH-CG2 3.45Å; V364-T368 HydrophobicContact CG1-CG2 3.93Å; A365-T368 WeakPolarHBondContact O-CB 3.16Å; A365-T368 PolarHBondContact O-N 3.43Å; A365-T368 VanDerWaalsContact O-N 3.08Å; T368-A370 VanDerWaalsContact C-N 3.33Å; T368-A370 PolarHBondContact O-N 3.27Å; T368-V371 PolarHBondContact O-N 3.29Å; T368-I372 HydrophobicContact CG2-CD1 4.01Å; T368-I372 WeakPolarHBondContact O-CG1 3.34Å; T368-I372 PolarHBondContact O-N 3.36Å
369	R	96.1	Very high	94.3	Very high	77 Å²	77	52.1 Å²	52.1	29%	0.291	27%	0.267	S	S	.	.	H	α-helix	trans	-61.7	-40.9	176.6	-63.7	-174.5	-174	-94.3	11	112.1	Y357 S359 A362 V364 A365 P366 E367 I372 S373	Y357-R369 PolarHBondContact O-NH1 3.01Å; S359-R369 PolarHBondContact O-NH2 3.04Å; A362-R369 PolarHBondContact O-NH2 2.98Å; V364-R369 HydrophobicContact CB-CG 4.29Å; V364-R369 HydrophobicContact CG1-CG 3.66Å; V364-R369 PolarHBondContact O-NE 2.92Å; A365-R369 PolarHBondContact O-N 2.99Å; A365-R369 VanDerWaalsContact O-N 3.09Å; P366-R369 PolarHBondContact O-N 3.23Å; E367-R369 PolarHBondContact O-N 2.92Å; R369-I372 PolarHBondContact O-N 3.04Å; R369-S373 WeakPolarHBondContact O-CB 3.11Å; R369-S373 PolarHBondContact O-N 2.95Å
370	A	97.8	Very high	94.8	Very high	9 Å²	9	50.2 Å²	50.2	7%	0.074	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-43.1	176.9	0	0	0	0	0	111.8	I214 L223 P366 E367 T368 S373 W374	I214-A370 HydrophobicContact CG1-CB 4.45Å; I214-A370 WeakPolarHBondContact O-CB 3.42Å; L223-A370 HydrophobicContact CD2-CB 4.35Å; P366-A370 WeakPolarHBondContact O-CB 3.37Å; P366-A370 PolarHBondContact O-N 3.05Å; E367-A370 WeakPolarHBondContact O-CB 3.43Å; E367-A370 PolarHBondContact O-N 2.83Å; T368-A370 VanDerWaalsContact C-N 3.33Å; T368-A370 PolarHBondContact O-N 3.27Å; A370-S373 PolarHBondContact O-N 3.2Å; A370-W374 WeakPolarHBondContact O-CB 3.35Å; A370-W374 PolarHBondContact O-N 3.07Å
371	V	98.4	Very high	95.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68.7	-42.5	177.8	172.9	0	0	0	0	111.7	I214 L289 M292 F326 E367 T368 S373 W374 M375 M463	I214-V371 HydrophobicContact CD1-CG2 3.89Å; L289-V371 HydrophobicContact CD2-CG2 4.17Å; M292-V371 HydrophobicContact CE-CB 4.19Å; M292-V371 HydrophobicContact CE-CG2 3.81Å; M292-V371 HydrophobicContact CG-CG2 4.02Å; M292-V371 HydrophobicContact SD-CG2 3.93Å; F326-V371 HydrophobicContact CE1-CB 4.47Å; F326-V371 HydrophobicContact CE1-CG1 4.02Å; F326-V371 HydrophobicContact CZ-CB 4.27Å; F326-V371 HydrophobicContact CZ-CG1 3.88Å; E367-V371 WeakPolarHBondContact O-CG2 3.44Å; E367-V371 PolarHBondContact O-N 3.28Å; T368-V371 PolarHBondContact O-N 3.29Å; V371-S373 PolarHBondContact O-N 3.37Å; V371-W374 HydrophobicContact CG1-CE3 4.45Å; V371-W374 WeakPolarHBondContact O-CB 3.18Å; V371-W374 PolarHBondContact O-N 3Å; V371-W374 VanDerWaalsContact O-N 3.15Å; V371-M375 HydrophobicContact CG1-CE 3.43Å; V371-M375 VanDerWaalsContact CG1-CE 3.43Å; V371-M375 HydrophobicContact CG1-CG 4.38Å; V371-M375 HydrophobicContact CG1-SD 4.16Å; V371-M375 VanDerWaalsContact O-CG 3.3Å; V371-M375 WeakPolarHBondContact O-CG 3.28Å; V371-M375 PolarHBondContact O-N 2.87Å; V371-M463 HydrophobicContact CG1-SD 3.94Å
372	I	97.5	Very high	96.4	Very high	11 Å²	11	31.9 Å²	31.9	6%	0.056	17%	0.167	C	C	.	.	H	α-helix	trans	-58.3	-48.3	174.3	-71.6	172.8	0	0	0	110.7	F326 I353 Y357 T368 R369 W374 M375 Q376 F466	F326-I372 HydrophobicContact CD1-CD1 3.98Å; F326-I372 HydrophobicContact CD1-CG1 3.71Å; F326-I372 HydrophobicContact CE1-CD1 4.39Å; F326-I372 HydrophobicContact CE1-CG1 3.73Å; I353-I372 HydrophobicContact CD1-CG2 3.69Å; Y357-I372 HydrophobicContact CE1-CD1 3.59Å; Y357-I372 WeakPolarHBondContact OH-CD1 3.38Å; T368-I372 HydrophobicContact CG2-CD1 4.01Å; T368-I372 WeakPolarHBondContact O-CG1 3.34Å; T368-I372 PolarHBondContact O-N 3.36Å; R369-I372 PolarHBondContact O-N 3.04Å; I372-W374 VanDerWaalsContact C-N 3.26Å; I372-W374 PolarHBondContact O-N 3.36Å; I372-M375 PolarHBondContact O-N 3.06Å; I372-Q376 WeakPolarHBondContact O-CG 3.27Å; I372-Q376 PolarHBondContact O-N 2.83Å; I372-F466 HydrophobicContact CB-CE1 4.42Å; I372-F466 HydrophobicContact CB-CZ 4.33Å; I372-F466 HydrophobicContact CD1-CE2 4.3Å; I372-F466 HydrophobicContact CD1-CZ 4.15Å; I372-F466 HydrophobicContact CG1-CD1 4.47Å; I372-F466 HydrophobicContact CG1-CE1 3.85Å; I372-F466 HydrophobicContact CG1-CE2 4.41Å; I372-F466 HydrophobicContact CG1-CZ 3.81Å; I372-F466 HydrophobicContact CG2-CE1 4.24Å; I372-F466 HydrophobicContact CG2-CZ 3.79Å
373	S	97.5	Very high	96.9	Very high	52 Å²	52	30.8 Å²	30.8	36%	0.364	16%	0.158	S	C	.	.	H	α-helix	trans	-61.1	-38.9	177.4	-175.4	0	0	0	0	111.6	R369 A370 V371 Q376 N377	R369-S373 WeakPolarHBondContact O-CB 3.11Å; R369-S373 PolarHBondContact O-N 2.95Å; A370-S373 PolarHBondContact O-N 3.2Å; V371-S373 PolarHBondContact O-N 3.37Å; S373-Q376 PolarHBondContact O-N 2.99Å; S373-N377 WeakPolarHBondContact O-CB 3.35Å; S373-N377 PolarHBondContact O-N 3.32Å; S373-N377 VanDerWaalsContact O-N 3.07Å; S373-N377 PolarHBondContact O-ND2 2.92Å; S373-N377 PolarHBondContact OG-ND2 3.12Å
374	W	98.4	Very high	97.3	Very high	7 Å²	7	23.5 Å²	23.5	3%	0.027	13%	0.127	C	C	.	.	H	α-helix	trans	-63.6	-44.9	176.5	178.5	44.9	0	0	0	112.9	Y212 I214 V225 R243 V245 H287 L289 A370 V371 I372 Q376 N377 I378 F380	Y212-W374 AromaticContact CZ-NE1 3.86Å; Y212-W374 PolarHBondContact OH-NE1 2.95Å; I214-W374 HydrophobicContact CB-CB 4.12Å; I214-W374 HydrophobicContact CB-CG 4.29Å; I214-W374 HydrophobicContact CD1-CB 4.29Å; I214-W374 HydrophobicContact CD1-CD2 4.28Å; I214-W374 HydrophobicContact CD1-CE3 4.07Å; I214-W374 HydrophobicContact CD1-CG 4.41Å; I214-W374 HydrophobicContact CG2-CB 3.85Å; I214-W374 HydrophobicContact CG2-CD2 3.96Å; I214-W374 HydrophobicContact CG2-CG 3.51Å; V225-W374 HydrophobicContact CG1-CZ2 4.1Å; V225-W374 HydrophobicContact CG2-CZ2 4.25Å; R243-W374 HydrophobicContact CB-CH2 3.86Å; R243-W374 HydrophobicContact CB-CZ2 4.32Å; R243-W374 HydrophobicContact CG-CH2 4.49Å; V245-W374 HydrophobicContact CG2-CH2 4.29Å; V245-W374 HydrophobicContact CG2-CZ3 3.79Å; H287-W374 HydrophobicContact CB-CH2 4.42Å; H287-W374 HydrophobicContact CB-CZ2 3.7Å; L289-W374 HydrophobicContact CB-CH2 4.2Å; L289-W374 HydrophobicContact CB-CZ3 4.3Å; L289-W374 HydrophobicContact CD2-CE3 4.47Å; L289-W374 HydrophobicContact CD2-CZ3 4.01Å; A370-W374 WeakPolarHBondContact O-CB 3.35Å; A370-W374 PolarHBondContact O-N 3.07Å; V371-W374 HydrophobicContact CG1-CE3 4.45Å; V371-W374 WeakPolarHBondContact O-CB 3.18Å; V371-W374 PolarHBondContact O-N 3Å; V371-W374 VanDerWaalsContact O-N 3.15Å; I372-W374 VanDerWaalsContact C-N 3.26Å; I372-W374 PolarHBondContact O-N 3.36Å; W374-Q376 VanDerWaalsContact C-N 3.25Å; W374-Q376 PolarHBondContact O-N 2.82Å; W374-N377 PolarHBondContact O-N 3.14Å; W374-N377 VanDerWaalsContact O-N 3.17Å; W374-I378 PolarHBondContact O-N 2.83Å; W374-I378 VanDerWaalsContact O-N 3.15Å; W374-F380 HydrophobicContact CD2-CE2 4.03Å; W374-F380 HydrophobicContact CD2-CZ 4.17Å; W374-F380 AromaticContact CE2-CE2 3.71Å; W374-F380 AromaticContact CE2-CZ 3.39Å; W374-F380 HydrophobicContact CG-CE2 4.36Å; W374-F380 HydrophobicContact CH2-CZ 4.12Å; W374-F380 HydrophobicContact CZ2-CE1 4.17Å; W374-F380 HydrophobicContact CZ2-CE2 4Å; W374-F380 AromaticContact CZ2-CZ 3.35Å; W374-F380 HydrophobicContact CZ2-CZ 3.35Å; W374-F380 AromaticContact NE1-CE2 3.85Å; W374-F380 AromaticContact NE1-CZ 3.52Å
375	M	97.8	Very high	97.5	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.03	12%	0.122	C	C	.	.	H	α-helix	trans	-61.6	-31.2	174.8	-67.6	164.6	176.2	0	0	113	R243 F326 V371 I372 I378 M463 F466 T471	R243-M375 VanDerWaalsContact NH1-CE 3.27Å; F326-M375 HydrophobicContact CE1-CE 3.79Å; F326-M375 HydrophobicContact CE1-SD 4.3Å; F326-M375 HydrophobicContact CZ-CE 4.27Å; V371-M375 HydrophobicContact CG1-CE 3.43Å; V371-M375 VanDerWaalsContact CG1-CE 3.43Å; V371-M375 HydrophobicContact CG1-CG 4.38Å; V371-M375 HydrophobicContact CG1-SD 4.16Å; V371-M375 VanDerWaalsContact O-CG 3.3Å; V371-M375 WeakPolarHBondContact O-CG 3.28Å; V371-M375 PolarHBondContact O-N 2.87Å; I372-M375 PolarHBondContact O-N 3.06Å; M375-I378 VanDerWaalsContact O-O 3.13Å; M375-M463 HydrophobicContact CE-CG 3.32Å; M375-M463 HydrophobicContact CE-SD 3.63Å; M375-F466 HydrophobicContact CE-CD1 4.45Å; M375-F466 HydrophobicContact SD-CD1 3.64Å; M375-F466 HydrophobicContact SD-CE1 3.66Å; M375-T471 HydrophobicContact CB-CG2 4.2Å
376	Q	95.6	Very high	97.6	Very high	87 Å²	87	22.9 Å²	22.9	41%	0.407	12%	0.123	S	C	.	.	H	α-helix	trans	-78.7	-26.4	176.6	-70.4	176.1	-34.7	0	0	113	I372 S373 W374 H470	I372-Q376 WeakPolarHBondContact O-CG 3.27Å; I372-Q376 PolarHBondContact O-N 2.83Å; S373-Q376 PolarHBondContact O-N 2.99Å; W374-Q376 VanDerWaalsContact C-N 3.25Å; W374-Q376 PolarHBondContact O-N 2.82Å; Q376-H470 PolarHBondContact NE2-NE2 2.94Å
377	N	96	Very high	97.7	Very high	115 Å²	115	21.1 Å²	21.1	62%	0.615	11%	0.111	S	C	*	.	H	α-helix	trans	-88.8	-27.6	-175	-74.2	-33.8	0	0	0	113.6	S373 W374	S373-N377 WeakPolarHBondContact O-CB 3.35Å; S373-N377 PolarHBondContact O-N 3.32Å; S373-N377 VanDerWaalsContact O-N 3.07Å; S373-N377 PolarHBondContact O-ND2 2.92Å; S373-N377 PolarHBondContact OG-ND2 3.12Å; W374-N377 PolarHBondContact O-N 3.14Å; W374-N377 VanDerWaalsContact O-N 3.17Å
378	I	97.5	Very high	97.7	Very high	28 Å²	28	21.2 Å²	21.2	14%	0.144	11%	0.112	C	C	.	.	S	Bend	trans	-116.9	128.9	-179.8	-55.9	-62.7	0	0	0	108.4	E241 W374 M375 F380	E241-I378 HydrophobicContact CB-CG2 3.88Å; E241-I378 HydrophobicContact CG-CG2 3.84Å; W374-I378 PolarHBondContact O-N 2.83Å; W374-I378 VanDerWaalsContact O-N 3.15Å; M375-I378 VanDerWaalsContact O-O 3.13Å; I378-F380 HydrophobicContact CB-CD2 4.04Å; I378-F380 HydrophobicContact CB-CE1 4.25Å; I378-F380 HydrophobicContact CB-CE2 3.51Å; I378-F380 HydrophobicContact CB-CZ 3.6Å; I378-F380 HydrophobicContact CG1-CE2 4.28Å; I378-F380 HydrophobicContact CG1-CZ 4.16Å; I378-F380 HydrophobicContact CG2-CD1 4.01Å; I378-F380 HydrophobicContact CG2-CD2 4.17Å; I378-F380 HydrophobicContact CG2-CE1 3.59Å; I378-F380 HydrophobicContact CG2-CE2 3.8Å; I378-F380 HydrophobicContact CG2-CG 4.27Å; I378-F380 HydrophobicContact CG2-CZ 3.46Å; I378-F380 VanDerWaalsContact CG2-CZ 3.46Å; I378-F380 WeakPolarHBondContact O-CD2 3.37Å; I378-F380 PolarHBondContact O-N 3.06Å
379	P	96.8	Very high	97.6	Very high	36 Å²	36	21.4 Å²	21.4	23%	0.234	11%	0.114	C	C	.	.			trans	-80.1	67.7	-175.8	32.7	-35.4	0	0	0	112.5	E241 A381 V543	E241-P379 HydrophobicContact CG-CG 3.88Å; P379-A381 PolarHBondContact O-N 3.5Å; P379-V543 HydrophobicContact CB-CB 4.14Å; P379-V543 HydrophobicContact CB-CG1 3.31Å; P379-V543 HydrophobicContact CG-CB 4.37Å; P379-V543 HydrophobicContact CG-CG1 3.93Å
380	F	98.6	Very high	97.5	Very high	5 Å²	5	18.4 Å²	18.4	2%	0.022	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	131	177.9	-65.4	-66.6	0	0	0	111.9	E241 R243 H287 W374 I378 N472 C473	E241-F380 HydrophobicContact CB-CD1 3.99Å; E241-F380 HydrophobicContact CB-CE1 4.44Å; E241-F380 WeakPolarHBondContact O-CA 3.17Å; R243-F380 HydrophobicContact CB-CD1 3.81Å; R243-F380 HydrophobicContact CB-CE1 3.59Å; R243-F380 HydrophobicContact CB-CZ 4.15Å; R243-F380 HydrophobicContact CG-CD1 3.8Å; R243-F380 HydrophobicContact CG-CE1 4.03Å; R243-F380 HydrophobicContact CG-CG 4.08Å; R243-F380 HydrophobicContact CG-CZ 4.49Å; H287-F380 HydrophobicContact CB-CE1 4.04Å; H287-F380 HydrophobicContact CB-CZ 4.31Å; H287-F380 AromaticContact CD2-CE1 3.5Å; H287-F380 AromaticContact CG-CE1 3.98Å; W374-F380 HydrophobicContact CD2-CE2 4.03Å; W374-F380 HydrophobicContact CD2-CZ 4.17Å; W374-F380 AromaticContact CE2-CE2 3.71Å; W374-F380 AromaticContact CE2-CZ 3.39Å; W374-F380 HydrophobicContact CG-CE2 4.36Å; W374-F380 HydrophobicContact CH2-CZ 4.12Å; W374-F380 HydrophobicContact CZ2-CE1 4.17Å; W374-F380 HydrophobicContact CZ2-CE2 4Å; W374-F380 AromaticContact CZ2-CZ 3.35Å; W374-F380 HydrophobicContact CZ2-CZ 3.35Å; W374-F380 AromaticContact NE1-CE2 3.85Å; W374-F380 AromaticContact NE1-CZ 3.52Å; I378-F380 HydrophobicContact CB-CD2 4.04Å; I378-F380 HydrophobicContact CB-CE1 4.25Å; I378-F380 HydrophobicContact CB-CE2 3.51Å; I378-F380 HydrophobicContact CB-CZ 3.6Å; I378-F380 HydrophobicContact CG1-CE2 4.28Å; I378-F380 HydrophobicContact CG1-CZ 4.16Å; I378-F380 HydrophobicContact CG2-CD1 4.01Å; I378-F380 HydrophobicContact CG2-CD2 4.17Å; I378-F380 HydrophobicContact CG2-CE1 3.59Å; I378-F380 HydrophobicContact CG2-CE2 3.8Å; I378-F380 HydrophobicContact CG2-CG 4.27Å; I378-F380 HydrophobicContact CG2-CZ 3.46Å; I378-F380 VanDerWaalsContact CG2-CZ 3.46Å; I378-F380 WeakPolarHBondContact O-CD2 3.37Å; I378-F380 PolarHBondContact O-N 3.06Å; F380-N472 CarbonylContact O-C 3.59Å; F380-C473 HydrophobicContact CB-CB 3.81Å; F380-C473 VanDerWaalsContact O-CA 3.26Å; F380-C473 WeakPolarHBondContact O-CA 3.21Å; F380-C473 WeakPolarHBondContact O-CB 3.42Å; F380-C473 PolarHBondContact O-N 3.3Å
381	A	98.2	Very high	97.4	Very high	4 Å²	4	18.5 Å²	18.5	3%	0.033	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-36.9	174.8	0	0	0	0	0	111.8	P240 E241 P379 F474 I509 W549	P240-A381 HydrophobicContact CB-CB 4.48Å; E241-A381 PolarHBondContact O-N 3.24Å; P379-A381 PolarHBondContact O-N 3.5Å; A381-F474 PolarHBondContact O-N 2.66Å; A381-I509 HydrophobicContact CB-CD1 4.24Å; A381-I509 HydrophobicContact CB-CG1 4.26Å; A381-W549 HydrophobicContact CB-CB 4.08Å; A381-W549 HydrophobicContact CB-CE3 4.32Å; A381-W549 HydrophobicContact CB-CG 4.42Å
382	L	98.8	Very high	97.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	142.1	179	-176.9	65.1	0	0	0	110.1	F242 R243 L420 F474 Y505 Q508 I509 L551	F242-L382 WeakPolarHBondContact CA-O 3.34Å; F242-L382 HydrophobicContact CD2-CB 4.09Å; F242-L382 HydrophobicContact CD2-CD2 4.15Å; F242-L382 HydrophobicContact CD2-CG 4.11Å; F242-L382 WeakPolarHBondContact CD2-O 3.4Å; F242-L382 HydrophobicContact CE2-CB 4.4Å; F242-L382 HydrophobicContact CE2-CD2 3.96Å; F242-L382 HydrophobicContact CE2-CG 3.93Å; R243-L382 PolarHBondContact N-O 3.07Å; L382-L420 HydrophobicContact CD1-CD1 3.66Å; L382-L420 HydrophobicContact CD1-CD2 3.99Å; L382-L420 HydrophobicContact CD1-CG 4.47Å; L382-L420 HydrophobicContact CD2-CD2 4.4Å; L382-F474 HydrophobicContact CD1-CB 4.24Å; L382-Y505 HydrophobicContact CD1-CE1 4.3Å; L382-Y505 WeakPolarHBondContact CD1-OH 3.36Å; L382-Y505 HydrophobicContact CD2-CE1 4.16Å; L382-Y505 HydrophobicContact CG-CE1 4.07Å; L382-Q508 HydrophobicContact CD2-CB 4.09Å; L382-I509 HydrophobicContact CB-CB 4.1Å; L382-I509 HydrophobicContact CB-CD1 3.94Å; L382-I509 HydrophobicContact CB-CG1 3.78Å; L382-I509 HydrophobicContact CD2-CB 3.91Å; L382-L551 HydrophobicContact CB-CD1 4.11Å; L382-L551 HydrophobicContact CD1-CD1 4.06Å
383	G	98.4	Very high	97.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	171.7	166.4	0	0	0	0	0	113.6	R243 F474 E475 V476 Y505	R243-G383 CarbonylContact O-C 3.55Å; R243-G383 WeakPolarHBondContact O-CA 3.5Å; G383-F474 PolarHBondContact N-O 3.01Å; G383-E475 VanDerWaalsContact O-CA 3.3Å; G383-E475 WeakPolarHBondContact O-CA 3.43Å; G383-V476 PolarHBondContact O-N 2.96Å; G383-Y505 PolarHBondContact O-OH 3.28Å
384	A	98.7	Very high	97.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	155.5	167.6	0	0	0	0	0	111.7	R243 Y244 V245 V476 V478 Y505	R243-A384 PolarHBondContact O-N 2.76Å; Y244-A384 WeakPolarHBondContact CA-O 3.08Å; Y244-A384 HydrophobicContact CD1-CB 3.78Å; Y244-A384 HydrophobicContact CE1-CB 3.57Å; V245-A384 PolarHBondContact N-O 3.46Å; A384-V476 VanDerWaalsContact CA-O 3.27Å; A384-V476 WeakPolarHBondContact CA-O 3.3Å; A384-V476 HydrophobicContact CB-CG2 3.79Å; A384-V476 WeakPolarHBondContact CB-O 3.21Å; A384-V478 HydrophobicContact CB-CG2 4.32Å; A384-Y505 HydrophobicContact CB-CD1 4.48Å; A384-Y505 HydrophobicContact CB-CE1 3.74Å
385	N	98	Very high	97.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.5	174.9	-175.5	35.9	0	0	0	110.4	V245 M248 H387 M463 V476 T477 V478	V245-N385 CarbonylContact O-C 3.55Å; V245-N385 WeakPolarHBondContact O-CA 3.34Å; V245-N385 PolarHBondContact O-OD1 3.38Å; M248-N385 VanDerWaalsContact CE-ND2 3.32Å; M248-N385 WeakPolarHBondContact CE-ND2 3.33Å; N385-H387 PolarHBondContact ND2-CD2 2.78Å; N385-H387 PolarHBondContact ND2-NE2 3.2Å; N385-M463 HydrophobicContact CB-CE 3.39Å; N385-V476 PolarHBondContact N-O 3.25Å; N385-T477 CarbonylContact O-C 3.55Å; N385-T477 WeakPolarHBondContact O-CA 3.44Å; N385-V478 PolarHBondContact O-N 2.91Å
386	L	98.8	Very high	97.5	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	119.2	-171.6	-57.3	-173.6	0	0	0	110.8	Y244 V245 A246 L259 V478 L480 L502	Y244-L386 HydrophobicContact CD1-CD2 4.31Å; Y244-L386 HydrophobicContact CD1-CG 4.48Å; Y244-L386 HydrophobicContact CE1-CD2 4.37Å; V245-L386 PolarHBondContact O-N 2.98Å; A246-L386 HydrophobicContact CB-CB 4.02Å; A246-L386 HydrophobicContact CB-CD1 4.44Å; L259-L386 HydrophobicContact CD1-CD1 4.44Å; L259-L386 HydrophobicContact CD2-CD1 3.78Å; L259-L386 HydrophobicContact CG-CD1 3.97Å; L386-V478 HydrophobicContact CD2-CB 3.85Å; L386-V478 HydrophobicContact CD2-CG1 4.44Å; L386-V478 HydrophobicContact CD2-CG2 4.15Å; L386-L480 HydrophobicContact CB-CD1 3.81Å; L386-L480 HydrophobicContact CD1-CD1 4.33Å; L386-L480 HydrophobicContact CD2-CD1 4.49Å; L386-L480 HydrophobicContact CD2-CD2 4.46Å; L386-L480 HydrophobicContact CG-CD1 4.43Å; L386-L502 HydrophobicContact CD1-CD2 4.24Å
387	H	98.4	Very high	97.6	Very high	5 Å²	5	11.8 Å²	11.8	2%	0.023	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	175.4	-175.2	-84	-139	0	0	0	111.6	H249 E252 N385 T477 V478 E479 L480	H249-H387 AromaticContact CE1-CE1 3.42Å; H249-H387 PolarHBondContact CE1-CE1 3.42Å; H249-H387 VanDerWaalsContact CE1-CE1 3.42Å; H249-H387 AromaticContact CE1-ND1 3.87Å; H249-H387 AromaticContact ND1-CE1 3.53Å; H249-H387 AromaticContact ND1-ND1 3.72Å; E252-H387 IonicContact OE2-CG 3.57Å; E252-H387 IonicContact OE2-ND1 2.71Å; E252-H387 PolarHBondContact OE2-ND1 2.75Å; N385-H387 PolarHBondContact ND2-CD2 2.78Å; N385-H387 PolarHBondContact ND2-NE2 3.2Å; H387-T477 HydrophobicContact CB-CG2 3.9Å; H387-V478 PolarHBondContact N-O 2.97Å; H387-E479 VanDerWaalsContact CB-CD 3.43Å; H387-E479 VanDerWaalsContact CB-OE1 3.31Å; H387-E479 WeakPolarHBondContact CB-OE1 3.35Å; H387-E479 VanDerWaalsContact CB-OE2 3.31Å; H387-E479 WeakPolarHBondContact CB-OE2 3.48Å; H387-E479 IonicContact CG-OE1 2.72Å; H387-E479 IonicContact ND1-OE1 2.72Å; H387-L480 WeakPolarHBondContact O-CB 3.4Å; H387-L480 PolarHBondContact O-N 3.21Å
388	G	96.4	Very high	97.7	Very high	3 Å²	3	6.5 Å²	6.5	3%	0.031	4%	0.037	C	C	.	.			trans	-146.7	159.6	173.4	0	0	0	0	0	112.6	E252 E479 K484	E252-G388 WeakPolarHBondContact CG-O 3.4Å; E252-G388 PolarHBondContact OE2-N 3.4Å; G388-E479 VanDerWaalsContact C-OE2 3.28Å; G388-E479 WeakPolarHBondContact CA-OE2 3.32Å; G388-E479 PolarHBondContact N-OE2 2.8Å; G388-K484 WeakPolarHBondContact O-CE 3.49Å
389	G	95.1	Very high	97.6	Very high	4 Å²	4	5.2 Å²	5.2	4%	0.041	3%	0.03	C	C	.	.	S	Bend	trans	120.7	-15.9	-177.8	0	0	0	0	0	112.9	H440 S481	G389-H440 PolarHBondContact O-CD2 3.13Å; G389-H440 PolarHBondContact O-NE2 3.34Å; G389-S481 CarbonylContact C-O 3.52Å; G389-S481 WeakPolarHBondContact CA-O 3.23Å; G389-S481 PolarHBondContact N-O 3.04Å
390	E	95.8	Very high	97.4	Very high	13 Å²	13	3.5 Å²	3.5	6%	0.061	2%	0.019	C	C	.	.	S	Bend	trans	-142.1	-178.3	170.5	-87.9	-62	170.3	0	0	110.5	V392 C439 H440 F444 W456 E479 S481	E390-V392 HydrophobicContact CB-CG1 4.42Å; E390-C439 WeakPolarHBondContact OE2-CB 3.44Å; E390-C439 PolarHBondContact OE2-SG 3.3Å; E390-C439 VanDerWaalsContact OE2-SG 3.4Å; E390-H440 IonicContact OE1-CD2 2.91Å; E390-H440 PolarHBondContact OE1-CD2 3.47Å; E390-H440 VanDerWaalsContact OE1-CD2 3.29Å; E390-H440 IonicContact OE1-CG 2.78Å; E390-F444 HydrophobicContact CB-CE2 4.26Å; E390-F444 HydrophobicContact CG-CE2 3.97Å; E390-F444 WeakPolarHBondContact OE2-CE2 3.37Å; E390-W456 HydrophobicContact CB-CH2 4.06Å; E390-W456 HydrophobicContact CB-CZ2 4.24Å; E390-W456 HydrophobicContact CG-CH2 4.11Å; E390-W456 HydrophobicContact CG-CZ2 3.78Å; E390-E479 HydrophobicContact CB-CB 4.1Å; E390-E479 HydrophobicContact CB-CG 4.26Å; E390-E479 CarbonylContact O-C 3.6Å; E390-E479 VanDerWaalsContact O-C 3.3Å; E390-E479 VanDerWaalsContact O-CB 3.31Å; E390-E479 WeakPolarHBondContact O-CB 3.38Å; E390-S481 PolarHBondContact N-O 2.83Å; E390-S481 CarbonylContact O-C 3.45Å; E390-S481 VanDerWaalsContact O-C 3.29Å; E390-S481 PolarHBondContact O-N 2.95Å; E390-S481 VanDerWaalsContact O-O 3.08Å
391	L	95.8	Very high	96.8	Very high	11 Å²	11	8.6 Å²	8.6	6%	0.058	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	84.6	176.4	-80.2	171.5	0	0	0	110.8	V430 R436 L480 C482	L391-V430 HydrophobicContact CD1-CG1 3.9Å; L391-R436 PolarHBondContact O-NH1 3.39Å; L391-R436 PolarHBondContact O-NH2 3.4Å; L391-L480 VanDerWaalsContact CD2-C 3.42Å; L391-L480 WeakPolarHBondContact CD2-O 3.34Å; L391-C482 VanDerWaalsContact CD1-SG 3.57Å
392	V	97.9	Very high	96.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	156.1	-175.8	64.2	0	0	0	0	110.2	E390 T394 F444 N449 I451 W456 E479	E390-V392 HydrophobicContact CB-CG1 4.42Å; V392-T394 HydrophobicContact CG1-CG2 4.21Å; V392-F444 HydrophobicContact CB-CB 4.18Å; V392-F444 HydrophobicContact CB-CD1 3.98Å; V392-F444 HydrophobicContact CB-CD2 3.94Å; V392-F444 HydrophobicContact CB-CE1 4.3Å; V392-F444 HydrophobicContact CB-CE2 4.28Å; V392-F444 HydrophobicContact CB-CG 3.77Å; V392-F444 HydrophobicContact CB-CZ 4.43Å; V392-F444 HydrophobicContact CG1-CD1 4.35Å; V392-F444 HydrophobicContact CG1-CD2 4.22Å; V392-F444 HydrophobicContact CG1-CE1 4.16Å; V392-F444 HydrophobicContact CG1-CE2 4.04Å; V392-F444 HydrophobicContact CG1-CG 4.37Å; V392-F444 HydrophobicContact CG1-CZ 3.99Å; V392-F444 HydrophobicContact CG2-CB 4.08Å; V392-F444 HydrophobicContact CG2-CD1 3.57Å; V392-F444 HydrophobicContact CG2-CD2 4.44Å; V392-F444 HydrophobicContact CG2-CE1 4.04Å; V392-F444 HydrophobicContact CG2-CG 3.79Å; V392-N449 WeakPolarHBondContact CG2-O 3.32Å; V392-I451 HydrophobicContact CG2-CB 4.34Å; V392-I451 HydrophobicContact CG2-CG2 3.77Å; V392-W456 HydrophobicContact CG1-CE3 4.5Å; V392-W456 HydrophobicContact CG1-CH2 4.44Å; V392-W456 HydrophobicContact CG1-CZ3 4.15Å; V392-E479 HydrophobicContact CG1-CB 4.08Å; V392-E479 HydrophobicContact CG1-CG 3.95Å; V392-E479 PolarHBondContact N-O 2.9Å; V392-E479 WeakPolarHBondContact O-CB 3.27Å; V392-E479 PolarHBondContact O-N 2.96Å
393	V	98.6	Very high	95.1	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.6	167	-172.5	0	0	0	0	109.6	A421 Y424 A425 M431 N449 I450 I451 V476 T477 V478	V393-A421 HydrophobicContact CB-CB 4.03Å; V393-A421 HydrophobicContact CG1-CB 3.71Å; V393-Y424 HydrophobicContact CG2-CD1 4.02Å; V393-Y424 HydrophobicContact CG2-CG 4.35Å; V393-A425 HydrophobicContact CG2-CB 3.94Å; V393-M431 HydrophobicContact CG2-CE 4.25Å; V393-M431 HydrophobicContact CG2-SD 3.95Å; V393-N449 PolarHBondContact N-O 3.23Å; V393-I450 HydrophobicContact CB-CG2 4.47Å; V393-I450 VanDerWaalsContact O-CA 3.27Å; V393-I450 WeakPolarHBondContact O-CA 3.45Å; V393-I451 PolarHBondContact O-N 2.92Å; V393-V476 HydrophobicContact CG1-CB 4.23Å; V393-V476 HydrophobicContact CG1-CG2 4.01Å; V393-T477 CarbonylContact C-O 3.59Å; V393-T477 WeakPolarHBondContact CA-O 3.43Å; V393-V478 HydrophobicContact CG1-CG2 4.15Å; V393-V478 HydrophobicContact CG2-CG1 4.33Å; V393-V478 HydrophobicContact CG2-CG2 4.41Å
394	T	98.2	Very high	94.6	Very high	6 Å²	6	23.3 Å²	23.3	4%	0.037	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	144.8	178.4	81.4	0	0	0	0	110.9	V392 I451 W456 V476 T477	V392-T394 HydrophobicContact CG1-CG2 4.21Å; T394-I451 CarbonylContact C-O 3.42Å; T394-I451 WeakPolarHBondContact CA-O 3.31Å; T394-I451 HydrophobicContact CG2-CG2 3.96Å; T394-W456 HydrophobicContact CG2-CE3 3.47Å; T394-W456 VanDerWaalsContact CG2-CE3 3.47Å; T394-W456 HydrophobicContact CG2-CZ3 3.61Å; T394-V476 WeakPolarHBondContact O-CB 3.38Å; T394-T477 PolarHBondContact N-O 2.66Å; T394-T477 PolarHBondContact O-N 3.33Å; T394-T477 WeakPolarHBondContact OG1-CB 3.23Å
395	Y	98.4	Very high	94	Very high	10 Å²	10	28.5 Å²	28.5	4%	0.039	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151.6	178.6	57.5	-94.6	0	0	0	112.5	E414 F417 R418 A421 I450 I451 N452 G453	Y395-E414 HydrophobicContact CE2-CG 4.14Å; Y395-F417 HydrophobicContact CD2-CB 4.1Å; Y395-F417 HydrophobicContact CG-CB 4.2Å; Y395-R418 HydrophobicContact CE1-CG 3.91Å; Y395-R418 HydrophobicContact CE2-CG 3.84Å; Y395-A421 HydrophobicContact CD1-CB 3.86Å; Y395-I450 HydrophobicContact CD1-CB 4.45Å; Y395-I450 HydrophobicContact CE1-CB 4.09Å; Y395-I450 HydrophobicContact CE1-CD1 4.18Å; Y395-I450 HydrophobicContact CE1-CG1 4.22Å; Y395-I451 VanDerWaalsContact CD1-O 3.27Å; Y395-I451 WeakPolarHBondContact CD1-O 3.39Å; Y395-I451 WeakPolarHBondContact CE1-O 3.46Å; Y395-I451 PolarHBondContact N-O 3.17Å; Y395-N452 HydrophobicContact CD2-CB 4.36Å; Y395-N452 HydrophobicContact CE2-CB 3.77Å; Y395-N452 CarbonylContact O-C 3.54Å; Y395-N452 WeakPolarHBondContact O-CA 3.09Å; Y395-N452 PolarHBondContact O-ND2 3.18Å; Y395-G453 PolarHBondContact O-N 3.11Å
396	P	98.1	Very high	93.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-53.6	157.5	-179	-33.7	39.6	0	0	0	115.7	T411 F417 N452 N464 E475	P396-T411 HydrophobicContact CB-CG2 3.56Å; P396-F417 HydrophobicContact CB-CZ 4.4Å; P396-F417 HydrophobicContact CG-CD1 4.41Å; P396-F417 HydrophobicContact CG-CE1 3.89Å; P396-F417 HydrophobicContact CG-CZ 3.96Å; P396-N452 VanDerWaalsContact C-ND2 3.27Å; P396-N452 PolarHBondContact O-ND2 2.8Å; P396-N452 VanDerWaalsContact O-ND2 3.11Å; P396-N464 HydrophobicContact CG-CB 3.89Å; P396-E475 WeakPolarHBondContact CD-O 3.22Å; P396-E475 WeakPolarHBondContact CG-O 3.26Å
397	Y	97.6	Very high	93.5	Very high	6 Å²	6	38.8 Å²	38.8	2%	0.024	18%	0.184	C	C	.	.			cis	-77.9	149.8	-7.9	-69.4	-65.9	0	0	0	112.4	N330 M333 T409 T411 N452 G453 A454 D465 Y468 L469	N330-Y397 VanDerWaalsContact ND2-CD1 3.35Å; N330-Y397 WeakPolarHBondContact ND2-CD1 3.37Å; M333-Y397 HydrophobicContact CE-CE1 4.46Å; M333-Y397 HydrophobicContact CE-CE2 4.02Å; Y397-T409 WeakPolarHBondContact CB-O 3.48Å; Y397-T409 HydrophobicContact CD2-CG2 4.27Å; Y397-T409 PolarHBondContact N-O 2.88Å; Y397-T411 HydrophobicContact CD1-CG2 4.02Å; Y397-T411 HydrophobicContact CD2-CG2 3.69Å; Y397-T411 HydrophobicContact CE1-CG2 3.95Å; Y397-T411 HydrophobicContact CE2-CG2 3.63Å; Y397-T411 HydrophobicContact CG-CG2 3.89Å; Y397-N452 PolarHBondContact N-ND2 2.89Å; Y397-N452 VanDerWaalsContact N-ND2 3.14Å; Y397-N452 PolarHBondContact O-ND2 3.46Å; Y397-G453 PolarHBondContact O-N 3.38Å; Y397-A454 WeakPolarHBondContact O-CB 3.23Å; Y397-A454 PolarHBondContact O-N 3.2Å; Y397-D465 WeakPolarHBondContact CA-OD1 3.21Å; Y397-D465 HydrophobicContact CD1-CB 4.37Å; Y397-Y468 AromaticContact CE1-CD1 3.79Å; Y397-Y468 HydrophobicContact CE1-CD1 3.79Å; Y397-Y468 HydrophobicContact CE1-CE1 4.19Å; Y397-Y468 AromaticContact CZ-CE1 3.94Å; Y397-Y468 WeakPolarHBondContact OH-CE1 3.41Å; Y397-L469 HydrophobicContact CE1-CD1 4.06Å; Y397-L469 HydrophobicContact CE1-CD2 3.91Å; Y397-L469 HydrophobicContact CE1-CG 3.99Å; Y397-L469 WeakPolarHBondContact OH-CD2 3.46Å
398	D	97.1	Very high	93.4	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.027	20%	0.201	C	C	.	.			trans	-88.8	-23.6	174.3	-66.9	-34.1	0	0	0	112.2	G453 A454 V459 S462 N464 D465	D398-G453 WeakPolarHBondContact OD1-CA 3.45Å; D398-A454 WeakPolarHBondContact O-CA 3.32Å; D398-V459 HydrophobicContact CB-CB 4.15Å; D398-V459 PolarHBondContact O-N 2.77Å; D398-S462 WeakPolarHBondContact CB-OG 3.33Å; D398-S462 VanDerWaalsContact OD2-CB 3.23Å; D398-S462 WeakPolarHBondContact OD2-CB 3.34Å; D398-S462 PolarHBondContact OD2-OG 3.5Å; D398-N464 WeakPolarHBondContact OD2-CB 3.17Å; D398-N464 PolarHBondContact OD2-ND2 2.92Å; D398-D465 VanDerWaalsContact N-CG 3.31Å; D398-D465 PolarHBondContact N-OD1 2.93Å; D398-D465 PolarHBondContact N-OD2 2.7Å
399	M	95.8	Very high	93.4	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	20%	0.204	C	C	.	.	S	Bend	trans	-92.9	141.8	177.1	-173.9	174.7	176.9	0	0	113.3	N330 S331 W334 W403 T409 N458 P460 D465	N330-M399 HydrophobicContact CB-CB 4.25Å; N330-M399 HydrophobicContact CB-CG 4.43Å; N330-M399 HydrophobicContact CB-SD 3.72Å; S331-M399 WeakPolarHBondContact OG-CE 3.35Å; W334-M399 HydrophobicContact CH2-CB 4.12Å; W334-M399 HydrophobicContact CH2-CG 3.98Å; W334-M399 WeakPolarHBondContact CH2-O 3.34Å; W334-M399 HydrophobicContact CH2-SD 4.45Å; W334-M399 HydrophobicContact CZ3-CE 4.11Å; W334-M399 HydrophobicContact CZ3-CG 3.95Å; W334-M399 HydrophobicContact CZ3-SD 3.97Å; M399-W403 HydrophobicContact CE-CH2 4.21Å; M399-W403 HydrophobicContact CE-CZ2 3.92Å; M399-T409 WeakPolarHBondContact O-CG2 3.46Å; M399-N458 VanDerWaalsContact CA-OD1 3.31Å; M399-N458 WeakPolarHBondContact CA-OD1 3.34Å; M399-P460 HydrophobicContact CE-CB 4.28Å; M399-P460 HydrophobicContact CG-CB 4.22Å; M399-P460 HydrophobicContact SD-CB 3.89Å; M399-D465 PolarHBondContact N-OD2 3.12Å
400	T	93.8	Very high	93.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.22	C	C	.	.			trans	-88.8	152.7	169.7	61.3	0	0	0	0	112.2	W334 A404 E407 A454 N458	W334-T400 WeakPolarHBondContact CZ3-O 3.47Å; T400-A404 WeakPolarHBondContact CB-O 3.39Å; T400-A404 HydrophobicContact CG2-CB 4.41Å; T400-A404 VanDerWaalsContact CG2-O 3.23Å; T400-A404 WeakPolarHBondContact CG2-O 3.42Å; T400-A404 PolarHBondContact OG1-N 3.26Å; T400-A404 VanDerWaalsContact OG1-N 3.12Å; T400-A404 PolarHBondContact OG1-O 3.13Å; T400-E407 HydrophobicContact CG2-CB 3.85Å; T400-A454 HydrophobicContact CG2-CB 3.81Å; T400-N458 HydrophobicContact CG2-CB 4.04Å; T400-N458 PolarHBondContact N-OD1 3.09Å; T400-N458 VanDerWaalsContact OG1-CG 3.24Å; T400-N458 PolarHBondContact OG1-ND2 3Å; T400-N458 PolarHBondContact OG1-OD1 3.12Å
401	R	85.7	Confident	93.6	Very high	112 Å²	112	45.4 Å²	45.4	42%	0.423	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-44	-174.8	-168.8	175	-180	162.3	0.5	113.9	W334 E338	W334-R401 HydrophobicContact CD2-CG 4.18Å; W334-R401 HydrophobicContact CE3-CB 4.48Å; W334-R401 HydrophobicContact CE3-CG 4.23Å; W334-R401 HydrophobicContact CG-CG 4.49Å; W334-R401 HydrophobicContact CH2-CB 4.5Å; W334-R401 HydrophobicContact CZ3-CB 4.43Å; E338-R401 IonicContact OE1-CZ 3.23Å; E338-R401 IonicContact OE1-NE 3.92Å; E338-R401 PolarHBondContact OE1-NE 3.21Å; E338-R401 IonicContact OE1-NH2 3.68Å; E338-R401 PolarHBondContact OE1-NH2 3.2Å
402	D	82.1	Confident	93.6	Very high	124 Å²	124	47.6 Å²	47.6	66%	0.663	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.9	26.9	-174.6	-66.5	-31.1	0	0	0	112.8	A404	D402-A404 PolarHBondContact O-N 3.26Å
403	W	78.5	Confident	93.7	Very high	162 Å²	162	47.7 Å²	47.7	61%	0.614	24%	0.236	S	C	*	.			trans	56.5	20.1	-173.4	-59.6	81.3	0	0	0	113.7	M399 P460	M399-W403 HydrophobicContact CE-CH2 4.21Å; M399-W403 HydrophobicContact CE-CZ2 3.92Å; W403-P460 HydrophobicContact CH2-CB 4.49Å; W403-P460 HydrophobicContact CZ3-CB 4.37Å; W403-P460 HydrophobicContact CZ3-CG 4.06Å
404	A	88.9	Confident	93.6	Very high	27 Å²	27	49.6 Å²	49.6	22%	0.223	24%	0.244	C	C	.	.			trans	-54.9	139	172.7	0	0	0	0	0	109.1	T400 D402 R406 E407 N458	T400-A404 WeakPolarHBondContact CB-O 3.39Å; T400-A404 HydrophobicContact CG2-CB 4.41Å; T400-A404 VanDerWaalsContact CG2-O 3.23Å; T400-A404 WeakPolarHBondContact CG2-O 3.42Å; T400-A404 PolarHBondContact OG1-N 3.26Å; T400-A404 VanDerWaalsContact OG1-N 3.12Å; T400-A404 PolarHBondContact OG1-O 3.13Å; D402-A404 PolarHBondContact O-N 3.26Å; A404-R406 PolarHBondContact O-N 2.64Å; A404-E407 HydrophobicContact CB-CB 4.3Å; A404-N458 WeakPolarHBondContact O-CB 3.34Å
405	P	86.2	Confident	93.5	Very high	109 Å²	109	53 Å²	53	71%	0.708	27%	0.268	S	S	*	.	S	Bend	trans	-60.1	-31.6	179.2	-25.7	34.3	0	0	0	113.1	N458	P405-N458 PolarHBondContact O-N 3.4Å
406	R	92.3	Very high	93.5	Very high	130 Å²	130	52.6 Å²	52.6	49%	0.491	27%	0.267	S	S	.	.	S	Bend	trans	-150	129.7	178.1	-62.2	-177.2	177.2	147.2	3.7	110.4	A404 A454 W456	A404-R406 PolarHBondContact O-N 2.64Å; R406-A454 VanDerWaalsContact CA-O 3.3Å; R406-A454 WeakPolarHBondContact CA-O 3.31Å; R406-W456 VanDerWaalsContact CD-O 3.27Å; R406-W456 WeakPolarHBondContact CD-O 3.45Å; R406-W456 WeakPolarHBondContact CG-O 3.32Å; R406-W456 PolarHBondContact NE-O 2.89Å
407	E	94	Very high	93.5	Very high	87 Å²	87	52.6 Å²	52.6	41%	0.407	27%	0.267	S	S	.	.			trans	-162.4	135.8	172.1	-175.9	174.1	-156.4	0	0	110.2	T400 A404 T409 A454 D455	T400-E407 HydrophobicContact CG2-CB 3.85Å; A404-E407 HydrophobicContact CB-CB 4.3Å; E407-T409 PolarHBondContact O-N 3.16Å; E407-T409 VanDerWaalsContact O-N 3.07Å; E407-T409 PolarHBondContact O-OG1 2.96Å; E407-A454 PolarHBondContact N-O 3.01Å; E407-A454 CarbonylContact O-C 3.59Å; E407-A454 WeakPolarHBondContact O-CB 3.31Å; E407-D455 PolarHBondContact O-N 2.93Å
408	H	95.9	Very high	93.6	Very high	80 Å²	80	57.9 Å²	57.9	37%	0.37	29%	0.287	S	S	.	.			trans	-64.6	110.1	174.3	-177.2	62.5	0	0	0	111.3	P410 E414 N452 D455	H408-P410 WeakPolarHBondContact O-CD 3.44Å; H408-E414 IonicContact CE1-OE1 3.3Å; H408-E414 IonicContact NE2-OE1 3Å; H408-E414 IonicContact NE2-OE2 3.93Å; H408-N452 WeakPolarHBondContact ND1-CB 3.5Å; H408-D455 HydrophobicContact CB-CB 4.27Å
409	T	96.5	Very high	93.6	Very high	14 Å²	14	62.6 Å²	62.6	9%	0.086	30%	0.304	C	S	.	.			trans	-120.4	86.7	-173.7	-50.4	0	0	0	0	110.2	W334 Y397 M399 E407 N452	W334-T409 HydrophobicContact CH2-CG2 4.38Å; W334-T409 HydrophobicContact CZ2-CG2 3.85Å; Y397-T409 WeakPolarHBondContact CB-O 3.48Å; Y397-T409 HydrophobicContact CD2-CG2 4.27Å; Y397-T409 PolarHBondContact N-O 2.88Å; M399-T409 WeakPolarHBondContact O-CG2 3.46Å; E407-T409 PolarHBondContact O-N 3.16Å; E407-T409 VanDerWaalsContact O-N 3.07Å; E407-T409 PolarHBondContact O-OG1 2.96Å; T409-N452 PolarHBondContact N-OD1 3.41Å; T409-N452 PolarHBondContact O-ND2 3.1Å
410	P	96.8	Very high	93.6	Very high	61 Å²	61	62.6 Å²	62.6	40%	0.396	30%	0.304	S	S	.	.			trans	-77	149.3	-171.3	31.4	-36.4	0	0	0	113	H408 E414	H408-P410 WeakPolarHBondContact O-CD 3.44Å; P410-E414 HydrophobicContact CB-CB 4.22Å; P410-E414 HydrophobicContact CB-CG 4.17Å; P410-E414 WeakPolarHBondContact CB-OE2 3.47Å
411	T	97.2	Very high	93.9	Very high	9 Å²	9	62.6 Å²	62.6	6%	0.055	30%	0.304	C	S	.	.			trans	-84.4	162	166.6	65.7	0	0	0	0	111.4	P396 Y397 D413 E414 F417 Y468	P396-T411 HydrophobicContact CB-CG2 3.56Å; Y397-T411 HydrophobicContact CD1-CG2 4.02Å; Y397-T411 HydrophobicContact CD2-CG2 3.69Å; Y397-T411 HydrophobicContact CE1-CG2 3.95Å; Y397-T411 HydrophobicContact CE2-CG2 3.63Å; Y397-T411 HydrophobicContact CG-CG2 3.89Å; T411-D413 PolarHBondContact O-N 2.79Å; T411-D413 PolarHBondContact OG1-N 3.2Å; T411-E414 WeakPolarHBondContact O-CB 3.39Å; T411-E414 PolarHBondContact O-N 2.94Å; T411-E414 VanDerWaalsContact O-N 3.12Å; T411-E414 PolarHBondContact OG1-N 3.48Å; T411-E414 VanDerWaalsContact OG1-N 3.13Å; T411-F417 HydrophobicContact CG2-CD2 4.39Å; T411-F417 HydrophobicContact CG2-CE2 4.19Å; T411-F417 VanDerWaalsContact OG1-CD2 3.32Å; T411-F417 WeakPolarHBondContact OG1-CD2 3.5Å; T411-Y468 HydrophobicContact CG2-CD1 4.18Å; T411-Y468 HydrophobicContact CG2-CE1 3.83Å
412	P	97.1	Very high	94.5	Very high	57 Å²	57	59 Å²	59	37%	0.37	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-27.8	167.8	-27.2	35.5	0	0	0	114	I536 D537 H538	P412-I536 HydrophobicContact CB-CG2 4.01Å; P412-D537 HydrophobicContact CB-CB 4.49Å; P412-D537 HydrophobicContact CG-CB 4.4Å; P412-D537 WeakPolarHBondContact CG-O 3.46Å; P412-H538 HydrophobicContact CB-CB 4.05Å; P412-H538 HydrophobicContact CG-CB 4.24Å
413	D	98.1	Very high	95.2	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.011	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	21.4	179.3	-75.1	-75	0	0	0	113.4	T411 S415 F416 F417 Y468 F474 H538 R550	T411-D413 PolarHBondContact O-N 2.79Å; T411-D413 PolarHBondContact OG1-N 3.2Å; D413-S415 PolarHBondContact O-N 2.88Å; D413-S415 VanDerWaalsContact O-N 3.09Å; D413-F416 PolarHBondContact O-N 2.98Å; D413-F417 HydrophobicContact CB-CD2 4.19Å; D413-F417 HydrophobicContact CB-CE2 4.24Å; D413-F417 PolarHBondContact O-N 3.39Å; D413-F417 VanDerWaalsContact O-N 3.09Å; D413-Y468 HydrophobicContact CB-CE2 4.32Å; D413-Y468 PolarHBondContact OD2-OH 2.92Å; D413-F474 HydrophobicContact CB-CE2 3.71Å; D413-F474 HydrophobicContact CB-CZ 3.94Å; D413-H538 WeakPolarHBondContact OD2-CB 3.41Å; D413-H538 IonicContact OD2-CD2 3.53Å; D413-H538 PolarHBondContact OD2-CD2 3.46Å; D413-H538 IonicContact OD2-CG 3.77Å; D413-R550 IonicContact OD1-CZ 3.65Å; D413-R550 IonicContact OD1-NH2 3.99Å; D413-R550 PolarHBondContact OD1-NH2 2.71Å; D413-R550 IonicContact OD2-CZ 3.39Å; D413-R550 IonicContact OD2-NH1 3.71Å; D413-R550 IonicContact OD2-NH2 3.07Å; D413-R550 PolarHBondContact OD2-NH2 3.32Å
414	E	97.6	Very high	96.1	Very high	39 Å²	39	46 Å²	46	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-50.8	-42.3	-174.5	-171.6	-161.2	159.2	0	0	112.6	Y395 H408 P410 T411 F416 F417 R418	Y395-E414 HydrophobicContact CE2-CG 4.14Å; H408-E414 IonicContact CE1-OE1 3.3Å; H408-E414 IonicContact NE2-OE1 3Å; H408-E414 IonicContact NE2-OE2 3.93Å; P410-E414 HydrophobicContact CB-CB 4.22Å; P410-E414 HydrophobicContact CB-CG 4.17Å; P410-E414 WeakPolarHBondContact CB-OE2 3.47Å; T411-E414 WeakPolarHBondContact O-CB 3.39Å; T411-E414 PolarHBondContact O-N 2.94Å; T411-E414 VanDerWaalsContact O-N 3.12Å; T411-E414 PolarHBondContact OG1-N 3.48Å; T411-E414 VanDerWaalsContact OG1-N 3.13Å; E414-F416 PolarHBondContact O-N 3.22Å; E414-F417 PolarHBondContact O-N 3.36Å; E414-R418 HydrophobicContact CG-CG 4.25Å; E414-R418 WeakPolarHBondContact O-CG 3.37Å; E414-R418 PolarHBondContact O-N 2.58Å; E414-R418 VanDerWaalsContact OE1-CD 3.32Å; E414-R418 WeakPolarHBondContact OE1-CD 3.47Å; E414-R418 IonicContact OE1-CZ 2.7Å; E414-R418 IonicContact OE1-NH1 3.93Å; E414-R418 PolarHBondContact OE1-NH1 2.78Å
415	S	96.9	Very high	96.6	Very high	78 Å²	78	44.8 Å²	44.8	55%	0.545	23%	0.233	S	C	.	.	H	α-helix	trans	-58.8	-34.5	-179.5	72.3	0	0	0	0	113	D413 W419 N553	D413-S415 PolarHBondContact O-N 2.88Å; D413-S415 VanDerWaalsContact O-N 3.09Å; S415-W419 PolarHBondContact O-N 3Å; S415-N553 VanDerWaalsContact C-ND2 3.25Å; S415-N553 PolarHBondContact O-ND2 3.19Å; S415-N553 PolarHBondContact OG-ND2 3.2Å
416	F	97.3	Very high	97.1	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-82.2	-38.1	177.7	-171	-99.9	0	0	0	111.4	D413 E414 R418 W419 L420 F474 R511 L551 L552 N553	D413-F416 PolarHBondContact O-N 2.98Å; E414-F416 PolarHBondContact O-N 3.22Å; F416-R418 VanDerWaalsContact C-N 3.31Å; F416-R418 PolarHBondContact O-N 3.17Å; F416-W419 WeakPolarHBondContact O-CA 3.31Å; F416-W419 WeakPolarHBondContact O-CB 3.22Å; F416-W419 PolarHBondContact O-N 3.43Å; F416-W419 VanDerWaalsContact O-N 3.1Å; F416-L420 HydrophobicContact CD1-CD1 3.9Å; F416-L420 HydrophobicContact CD1-CG 3.94Å; F416-L420 HydrophobicContact CE1-CD1 3.59Å; F416-L420 HydrophobicContact CE1-CD2 3.68Å; F416-L420 HydrophobicContact CE1-CG 3.52Å; F416-L420 HydrophobicContact CZ-CD2 3.82Å; F416-L420 HydrophobicContact CZ-CG 4.07Å; F416-L420 PolarHBondContact O-N 3.27Å; F416-F474 AromaticContact CD1-CD2 3.73Å; F416-F474 HydrophobicContact CD1-CD2 3.73Å; F416-F474 AromaticContact CD1-CE2 3.83Å; F416-F474 HydrophobicContact CD1-CE2 3.83Å; F416-F474 HydrophobicContact CE1-CD2 4.18Å; F416-R511 HydrophobicContact CE2-CB 4.47Å; F416-L551 HydrophobicContact CD1-CB 3.93Å; F416-L551 HydrophobicContact CE1-CB 3.27Å; F416-L551 HydrophobicContact CE1-CD1 3.81Å; F416-L551 HydrophobicContact CE1-CG 4.14Å; F416-L551 HydrophobicContact CE2-CB 4.28Å; F416-L551 HydrophobicContact CZ-CB 3.5Å; F416-L551 VanDerWaalsContact CZ-CB 3.5Å; F416-L551 HydrophobicContact CZ-CD1 4.34Å; F416-L551 HydrophobicContact CZ-CG 4.39Å; F416-L552 VanDerWaalsContact CD2-C 3.45Å; F416-N553 WeakPolarHBondContact CD2-OD1 3.4Å
417	F	98.6	Very high	97.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.2	-40.8	173	-87.5	-66.1	0	0	0	113.1	Y395 P396 T411 D413 E414 W419 L420 A421 Y468 F474 E475 V476	Y395-F417 HydrophobicContact CD2-CB 4.1Å; Y395-F417 HydrophobicContact CG-CB 4.2Å; P396-F417 HydrophobicContact CB-CZ 4.4Å; P396-F417 HydrophobicContact CG-CD1 4.41Å; P396-F417 HydrophobicContact CG-CE1 3.89Å; P396-F417 HydrophobicContact CG-CZ 3.96Å; T411-F417 HydrophobicContact CG2-CD2 4.39Å; T411-F417 HydrophobicContact CG2-CE2 4.19Å; T411-F417 VanDerWaalsContact OG1-CD2 3.32Å; T411-F417 WeakPolarHBondContact OG1-CD2 3.5Å; D413-F417 HydrophobicContact CB-CD2 4.19Å; D413-F417 HydrophobicContact CB-CE2 4.24Å; D413-F417 PolarHBondContact O-N 3.39Å; D413-F417 VanDerWaalsContact O-N 3.09Å; E414-F417 PolarHBondContact O-N 3.36Å; F417-W419 VanDerWaalsContact C-N 3.31Å; F417-W419 PolarHBondContact O-N 3.14Å; F417-L420 HydrophobicContact CD1-CD1 4.37Å; F417-L420 PolarHBondContact O-N 3.13Å; F417-A421 WeakPolarHBondContact O-CB 3.47Å; F417-A421 PolarHBondContact O-N 3.12Å; F417-Y468 AromaticContact CE2-CD2 3.72Å; F417-Y468 HydrophobicContact CE2-CD2 3.72Å; F417-Y468 AromaticContact CE2-CE2 3.54Å; F417-Y468 HydrophobicContact CE2-CE2 3.54Å; F417-Y468 HydrophobicContact CE2-CG 4.34Å; F417-Y468 AromaticContact CZ-CD2 3.61Å; F417-Y468 HydrophobicContact CZ-CD2 3.61Å; F417-Y468 AromaticContact CZ-CE2 3.93Å; F417-Y468 HydrophobicContact CZ-CE2 3.93Å; F417-Y468 HydrophobicContact CZ-CG 4.18Å; F417-F474 HydrophobicContact CE1-CB 4.08Å; F417-F474 HydrophobicContact CE1-CD2 4.2Å; F417-F474 HydrophobicContact CE1-CG 4.38Å; F417-F474 AromaticContact CE2-CD2 3.99Å; F417-F474 HydrophobicContact CE2-CD2 3.99Å; F417-F474 HydrophobicContact CE2-CE2 4.21Å; F417-F474 HydrophobicContact CZ-CB 4.1Å; F417-F474 AromaticContact CZ-CD2 3.82Å; F417-F474 HydrophobicContact CZ-CD2 3.82Å; F417-F474 HydrophobicContact CZ-CE2 4.46Å; F417-F474 AromaticContact CZ-CG 3.99Å; F417-F474 HydrophobicContact CZ-CG 3.99Å; F417-E475 WeakPolarHBondContact CE1-O 3.41Å; F417-V476 HydrophobicContact CD1-CG1 3.95Å; F417-V476 HydrophobicContact CE1-CG1 4.33Å
418	R	98.4	Very high	97.5	Very high	117 Å²	117	35 Å²	35	44%	0.442	20%	0.195	S	C	.	.	H	α-helix	trans	-63.8	-37.3	174.2	-71.5	173.8	72.2	141.4	4.3	112.3	Y395 E414 F416 A422 I450	Y395-R418 HydrophobicContact CE1-CG 3.91Å; Y395-R418 HydrophobicContact CE2-CG 3.84Å; E414-R418 HydrophobicContact CG-CG 4.25Å; E414-R418 WeakPolarHBondContact O-CG 3.37Å; E414-R418 PolarHBondContact O-N 2.58Å; E414-R418 VanDerWaalsContact OE1-CD 3.32Å; E414-R418 WeakPolarHBondContact OE1-CD 3.47Å; E414-R418 IonicContact OE1-CZ 2.7Å; E414-R418 IonicContact OE1-NH1 3.93Å; E414-R418 PolarHBondContact OE1-NH1 2.78Å; F416-R418 VanDerWaalsContact C-N 3.31Å; F416-R418 PolarHBondContact O-N 3.17Å; R418-A422 WeakPolarHBondContact O-CB 3.34Å; R418-A422 PolarHBondContact O-N 2.78Å; R418-I450 HydrophobicContact CB-CD1 4.17Å; R418-I450 HydrophobicContact CG-CD1 4.33Å
419	W	97.1	Very high	97.4	Very high	105 Å²	105	36.5 Å²	36.5	40%	0.398	20%	0.202	S	C	.	.	H	α-helix	trans	-62.7	-50.3	172.6	176.8	-84.1	0	0	0	111.4	S415 F416 F417 A421 A422 A423	S415-W419 PolarHBondContact O-N 3Å; F416-W419 WeakPolarHBondContact O-CA 3.31Å; F416-W419 WeakPolarHBondContact O-CB 3.22Å; F416-W419 PolarHBondContact O-N 3.43Å; F416-W419 VanDerWaalsContact O-N 3.1Å; F417-W419 VanDerWaalsContact C-N 3.31Å; F417-W419 PolarHBondContact O-N 3.14Å; W419-A421 VanDerWaalsContact C-N 3.35Å; W419-A421 PolarHBondContact O-N 2.92Å; W419-A422 PolarHBondContact O-N 3.36Å; W419-A423 WeakPolarHBondContact O-CB 3.41Å; W419-A423 PolarHBondContact O-N 2.92Å
420	L	97.8	Very high	97.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-56.6	-48.2	177.5	-72.5	-179.7	0	0	0	111.7	L382 F416 F417 A422 A423 Y424 F474 V476 Y505 Q508	L382-L420 HydrophobicContact CD1-CD1 3.66Å; L382-L420 HydrophobicContact CD1-CD2 3.99Å; L382-L420 HydrophobicContact CD1-CG 4.47Å; L382-L420 HydrophobicContact CD2-CD2 4.4Å; F416-L420 HydrophobicContact CD1-CD1 3.9Å; F416-L420 HydrophobicContact CD1-CG 3.94Å; F416-L420 HydrophobicContact CE1-CD1 3.59Å; F416-L420 HydrophobicContact CE1-CD2 3.68Å; F416-L420 HydrophobicContact CE1-CG 3.52Å; F416-L420 HydrophobicContact CZ-CD2 3.82Å; F416-L420 HydrophobicContact CZ-CG 4.07Å; F416-L420 PolarHBondContact O-N 3.27Å; F417-L420 HydrophobicContact CD1-CD1 4.37Å; F417-L420 PolarHBondContact O-N 3.13Å; L420-A422 PolarHBondContact O-N 3.31Å; L420-A423 PolarHBondContact O-N 3.45Å; L420-Y424 PolarHBondContact O-N 3.44Å; L420-F474 HydrophobicContact CD1-CB 4.28Å; L420-F474 HydrophobicContact CD1-CD2 4.49Å; L420-V476 HydrophobicContact CB-CG1 4.39Å; L420-Y505 HydrophobicContact CB-CE2 4.17Å; L420-Q508 HydrophobicContact CD2-CB 3.63Å; L420-Q508 HydrophobicContact CD2-CG 4.07Å
421	A	98.5	Very high	97.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62	-44.2	178.6	0	0	0	0	0	111.3	V393 Y395 F417 W419 A423 Y424 A425 I450	V393-A421 HydrophobicContact CB-CB 4.03Å; V393-A421 HydrophobicContact CG1-CB 3.71Å; Y395-A421 HydrophobicContact CD1-CB 3.86Å; F417-A421 WeakPolarHBondContact O-CB 3.47Å; F417-A421 PolarHBondContact O-N 3.12Å; W419-A421 VanDerWaalsContact C-N 3.35Å; W419-A421 PolarHBondContact O-N 2.92Å; A421-A423 PolarHBondContact O-N 3.25Å; A421-Y424 PolarHBondContact O-N 2.87Å; A421-A425 VanDerWaalsContact O-CB 3.3Å; A421-A425 WeakPolarHBondContact O-CB 3.49Å; A421-A425 PolarHBondContact O-N 3.21Å; A421-I450 VanDerWaalsContact C-CG2 3.49Å; A421-I450 HydrophobicContact CB-CB 3.91Å; A421-I450 HydrophobicContact CB-CG2 3.55Å
422	A	98.1	Very high	97.1	Very high	38 Å²	38	37.2 Å²	37.2	31%	0.314	21%	0.207	S	C	.	.	H	α-helix	trans	-66.2	-35.2	177.9	0	0	0	0	0	112.6	R418 W419 L420 Y424 A425 S426	R418-A422 WeakPolarHBondContact O-CB 3.34Å; R418-A422 PolarHBondContact O-N 2.78Å; W419-A422 PolarHBondContact O-N 3.36Å; L420-A422 PolarHBondContact O-N 3.31Å; A422-Y424 VanDerWaalsContact C-N 3.3Å; A422-Y424 PolarHBondContact O-N 3.22Å; A422-A425 PolarHBondContact O-N 3.07Å; A422-S426 VanDerWaalsContact O-CB 3.22Å; A422-S426 WeakPolarHBondContact O-CB 3.23Å; A422-S426 PolarHBondContact O-N 3.26Å; A422-S426 PolarHBondContact O-OG 2.83Å
423	A	97.3	Very high	97	Very high	13 Å²	13	37.6 Å²	37.6	11%	0.107	21%	0.206	C	C	.	.	H	α-helix	trans	-60.2	-40.5	178.4	0	0	0	0	0	111.8	W419 L420 A421 T427 V504 Q508	W419-A423 WeakPolarHBondContact O-CB 3.41Å; W419-A423 PolarHBondContact O-N 2.92Å; L420-A423 PolarHBondContact O-N 3.45Å; A421-A423 PolarHBondContact O-N 3.25Å; A423-T427 WeakPolarHBondContact O-CG2 3.23Å; A423-T427 PolarHBondContact O-OG1 3.38Å; A423-V504 HydrophobicContact CB-CG1 4.47Å; A423-Q508 HydrophobicContact CB-CG 4.05Å
424	Y	98.6	Very high	96.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-74.4	-51.8	173	-164.6	-71	0	0	0	111.4	V393 L420 A421 A422 S426 T427 N428 V478 L480 N498 S501 L502 Y505	V393-Y424 HydrophobicContact CG2-CD1 4.02Å; V393-Y424 HydrophobicContact CG2-CG 4.35Å; L420-Y424 PolarHBondContact O-N 3.44Å; A421-Y424 PolarHBondContact O-N 2.87Å; A422-Y424 VanDerWaalsContact C-N 3.3Å; A422-Y424 PolarHBondContact O-N 3.22Å; Y424-S426 PolarHBondContact O-N 2.83Å; Y424-T427 PolarHBondContact O-N 2.98Å; Y424-T427 PolarHBondContact O-OG1 3.13Å; Y424-N428 HydrophobicContact CE1-CB 4.45Å; Y424-N428 PolarHBondContact O-N 3.02Å; Y424-V478 HydrophobicContact CD1-CG1 3.72Å; Y424-V478 HydrophobicContact CD1-CG2 4.42Å; Y424-V478 HydrophobicContact CD2-CG2 4.12Å; Y424-V478 HydrophobicContact CE1-CG1 3.34Å; Y424-V478 HydrophobicContact CE2-CG1 4.18Å; Y424-V478 HydrophobicContact CE2-CG2 4.27Å; Y424-V478 HydrophobicContact CG-CG1 4.32Å; Y424-V478 HydrophobicContact CG-CG2 4.21Å; Y424-L480 HydrophobicContact CE1-CD2 4.31Å; Y424-L480 WeakPolarHBondContact OH-CD2 3.26Å; Y424-N498 PolarHBondContact OH-OD1 3.3Å; Y424-S501 PolarHBondContact O-OG 2.95Å; Y424-L502 HydrophobicContact CE2-CD2 4.06Å; Y424-L502 HydrophobicContact CE2-CG 4.36Å; Y424-Y505 HydrophobicContact CD2-CD2 4.26Å; Y424-Y505 HydrophobicContact CD2-CG 4.15Å
425	A	98.1	Very high	96.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-37.1	-170.9	0	0	0	0	0	113.9	V393 A421 A422 M431 N449 I450	V393-A425 HydrophobicContact CG2-CB 3.94Å; A421-A425 VanDerWaalsContact O-CB 3.3Å; A421-A425 WeakPolarHBondContact O-CB 3.49Å; A421-A425 PolarHBondContact O-N 3.21Å; A422-A425 PolarHBondContact O-N 3.07Å; A425-M431 VanDerWaalsContact CA-SD 3.57Å; A425-M431 HydrophobicContact CB-CG 4.45Å; A425-M431 HydrophobicContact CB-SD 3.52Å; A425-M431 VanDerWaalsContact CB-SD 3.52Å; A425-N449 HydrophobicContact CB-CB 4.09Å; A425-I450 HydrophobicContact CB-CG2 3.91Å
426	S	96.9	Very high	96.1	Very high	79 Å²	79	45.1 Å²	45.1	55%	0.552	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-19.3	-178.9	64.2	0	0	0	0	114	A422 Y424	A422-S426 VanDerWaalsContact O-CB 3.22Å; A422-S426 WeakPolarHBondContact O-CB 3.23Å; A422-S426 PolarHBondContact O-N 3.26Å; A422-S426 PolarHBondContact O-OG 2.83Å; Y424-S426 PolarHBondContact O-N 2.83Å
427	T	96.9	Very high	95.8	Very high	41 Å²	41	47.2 Å²	47.2	25%	0.252	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-17.5	179.5	51.9	0	0	0	0	112.6	A423 Y424 S501 V504	A423-T427 WeakPolarHBondContact O-CG2 3.23Å; A423-T427 PolarHBondContact O-OG1 3.38Å; Y424-T427 PolarHBondContact O-N 2.98Å; Y424-T427 PolarHBondContact O-OG1 3.13Å; T427-S501 VanDerWaalsContact OG1-CA 3.28Å; T427-S501 WeakPolarHBondContact OG1-CA 3.36Å; T427-S501 WeakPolarHBondContact OG1-CB 3.1Å; T427-S501 PolarHBondContact OG1-OG 3.28Å; T427-V504 HydrophobicContact CG2-CB 4.38Å; T427-V504 HydrophobicContact CG2-CG1 4.17Å; T427-V504 HydrophobicContact CG2-CG2 4.26Å
428	N	97.9	Very high	95.6	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	27%	0.266	C	S	.	.	S	Bend	trans	-76	126.4	177.2	177.2	-64.7	0	0	0	109.7	Y424 V430 M431 S432 N497 N498 S501	Y424-N428 HydrophobicContact CE1-CB 4.45Å; Y424-N428 PolarHBondContact O-N 3.02Å; N428-V430 PolarHBondContact O-N 2.92Å; N428-V430 PolarHBondContact OD1-N 2.8Å; N428-M431 HydrophobicContact CB-CB 3.85Å; N428-M431 WeakPolarHBondContact OD1-CB 3.14Å; N428-M431 PolarHBondContact OD1-N 3.06Å; N428-S432 VanDerWaalsContact O-CB 3.26Å; N428-S432 WeakPolarHBondContact O-CB 3.42Å; N428-S432 PolarHBondContact O-N 3.23Å; N428-S432 PolarHBondContact O-OG 2.84Å; N428-N497 WeakPolarHBondContact CA-O 3.49Å; N428-N497 PolarHBondContact ND2-O 2.82Å; N428-N498 PolarHBondContact ND2-OD1 3.49Å; N428-S501 VanDerWaalsContact CA-OG 3.23Å; N428-S501 WeakPolarHBondContact CA-OG 3.45Å; N428-S501 WeakPolarHBondContact CB-OG 3.29Å; N428-S501 PolarHBondContact N-OG 3.21Å
429	Q	94.5	Very high	95.4	Very high	110 Å²	110	43.8 Å²	43.8	51%	0.514	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-36.3	-170.4	-60	-173.5	32.8	0	0	113.4	E496 N497	Q429-E496 PolarHBondContact NE2-O 2.97Å; Q429-N497 PolarHBondContact N-O 2.99Å
430	V	93.9	Very high	95.3	Very high	49 Å²	49	39.4 Å²	39.4	30%	0.297	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-42.7	-178.6	177	0	0	0	0	110.5	L391 N428 N433 R436 N497	L391-V430 HydrophobicContact CD1-CG1 3.9Å; N428-V430 PolarHBondContact O-N 2.92Å; N428-V430 PolarHBondContact OD1-N 2.8Å; V430-N433 WeakPolarHBondContact O-CB 3.34Å; V430-N433 PolarHBondContact O-N 2.93Å; V430-R436 WeakPolarHBondContact O-CD 2.98Å; V430-N497 HydrophobicContact CG2-CB 4.36Å; V430-N497 WeakPolarHBondContact CG2-ND2 3.47Å
431	M	95.3	Very high	95	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-40.9	-178.1	-165.1	-179.9	-63.1	0	0	111.7	V393 A425 N428 N433 R436 N449 E479	V393-M431 HydrophobicContact CG2-CE 4.25Å; V393-M431 HydrophobicContact CG2-SD 3.95Å; A425-M431 VanDerWaalsContact CA-SD 3.57Å; A425-M431 HydrophobicContact CB-CG 4.45Å; A425-M431 HydrophobicContact CB-SD 3.52Å; A425-M431 VanDerWaalsContact CB-SD 3.52Å; N428-M431 HydrophobicContact CB-CB 3.85Å; N428-M431 WeakPolarHBondContact OD1-CB 3.14Å; N428-M431 PolarHBondContact OD1-N 3.06Å; M431-N433 VanDerWaalsContact C-N 3.29Å; M431-N433 PolarHBondContact O-N 3.22Å; M431-R436 PolarHBondContact O-NE 2.64Å; M431-R436 VanDerWaalsContact O-NE 3.13Å; M431-N449 HydrophobicContact CG-CB 3.61Å; M431-N449 PolarHBondContact O-ND2 3.28Å; M431-N449 PolarHBondContact O-OD1 2.84Å; M431-N449 HydrophobicContact SD-CB 4Å; M431-E479 WeakPolarHBondContact CE-O 3.38Å
432	S	94.8	Very high	94.6	Very high	50 Å²	50	43.1 Å²	43.1	35%	0.35	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-9	178.9	65.2	0	0	0	0	114.5	N428 P434	N428-S432 VanDerWaalsContact O-CB 3.26Å; N428-S432 WeakPolarHBondContact O-CB 3.42Å; N428-S432 PolarHBondContact O-N 3.23Å; N428-S432 PolarHBondContact O-OG 2.84Å; S432-P434 WeakPolarHBondContact O-CD 3.28Å
433	N	94	Very high	94.3	Very high	65 Å²	65	43 Å²	43	35%	0.348	24%	0.242	S	C	.	.			trans	-70.7	116.9	-178.2	-178.1	-5.2	0	0	0	111.4	V430 M431 D435 R436	V430-N433 WeakPolarHBondContact O-CB 3.34Å; V430-N433 PolarHBondContact O-N 2.93Å; M431-N433 VanDerWaalsContact C-N 3.29Å; M431-N433 PolarHBondContact O-N 3.22Å; N433-D435 PolarHBondContact O-N 2.94Å; N433-D435 PolarHBondContact OD1-N 2.77Å; N433-R436 HydrophobicContact CB-CB 4.33Å; N433-R436 WeakPolarHBondContact O-CB 3.4Å; N433-R436 WeakPolarHBondContact O-CD 3.5Å; N433-R436 VanDerWaalsContact O-CG 3.23Å; N433-R436 WeakPolarHBondContact O-CG 3.39Å; N433-R436 PolarHBondContact O-N 3.5Å
434	P	92.3	Very high	94.2	Very high	98 Å²	98	42.5 Å²	42.5	64%	0.636	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-19.5	-179.2	30.2	-36.5	0	0	0	113.6	S432	S432-P434 WeakPolarHBondContact O-CD 3.28Å
435	D	90.8	Very high	93.9	Very high	148 Å²	148	44.6 Å²	44.6	79%	0.791	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	4.6	-178.9	-61	-42.3	0	0	0	112.6	N433	N433-D435 PolarHBondContact O-N 2.94Å; N433-D435 PolarHBondContact OD1-N 2.77Å
436	R	91.4	Very high	93.6	Very high	32 Å²	32	53.8 Å²	53.8	12%	0.121	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-69.6	144.6	179.4	78.4	-167.2	-173.4	111	-8.7	110.9	L391 V430 M431 N433 L445 N449	L391-R436 PolarHBondContact O-NH1 3.39Å; L391-R436 PolarHBondContact O-NH2 3.4Å; V430-R436 WeakPolarHBondContact O-CD 2.98Å; M431-R436 PolarHBondContact O-NE 2.64Å; M431-R436 VanDerWaalsContact O-NE 3.13Å; N433-R436 HydrophobicContact CB-CB 4.33Å; N433-R436 WeakPolarHBondContact O-CB 3.4Å; N433-R436 WeakPolarHBondContact O-CD 3.5Å; N433-R436 VanDerWaalsContact O-CG 3.23Å; N433-R436 WeakPolarHBondContact O-CG 3.39Å; N433-R436 PolarHBondContact O-N 3.5Å; R436-L445 HydrophobicContact CG-CD1 4.02Å; R436-L445 HydrophobicContact CG-CD2 4.27Å; R436-L445 HydrophobicContact CG-CG 4.29Å; R436-N449 PolarHBondContact NH2-OD1 3.41Å
437	R	91.3	Very high	93.3	Very high	45 Å²	45	55 Å²	55	17%	0.17	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-81.2	151.3	169.8	73.2	173.2	-112.5	-120.1	-0.5	110.7	L10 D14 R33	L10-R437 HydrophobicContact CD1-CG 3.74Å; D14-R437 IonicContact OD1-NE 3.69Å; R33-R437 VanDerWaalsContact NE-CZ 3.31Å; R33-R437 VanDerWaalsContact NH1-NH1 3.12Å
438	P	93.8	Very high	93.1	Very high	44 Å²	44	59.1 Å²	59.1	29%	0.286	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-58.1	146.6	167.3	-24.7	35.4	0	0	0	112.2	D443	P438-D443 HydrophobicContact CG-CB 3.89Å
439	C	94.4	Very high	93	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.007	30%	0.3	C	S	.	.	S	Bend	trans	-63.8	-58.1	175.4	-63.1	0	0	0	0	110.4	E390 C482	E390-C439 WeakPolarHBondContact OE2-CB 3.44Å; E390-C439 PolarHBondContact OE2-SG 3.3Å; E390-C439 VanDerWaalsContact OE2-SG 3.4Å; C439-C482 VanDerWaalsContact CA-SG 3.58Å; C439-C482 HydrophobicContact CB-CB 3.55Å; C439-C482 WeakPolarHBondContact CB-SG 3.26Å; C439-C482 VanDerWaalsContact SG-CA 3.56Å; C439-C482 WeakPolarHBondContact SG-CB 3.32Å; C439-C482 CovalentContact SG-SG 2.03Å; C439-C482 PolarHBondContact SG-SG 2.83Å
440	H	94.5	Very high	93.2	Very high	12 Å²	12	55.3 Å²	55.3	6%	0.056	28%	0.279	C	S	.	.	S	Bend	trans	-128	-90.5	-171.6	-54.5	-51.4	0	0	0	113.1	R31 Q37 W310 G389 E390	R31-H440 PolarHBondContact NH1-O 2.94Å; Q37-H440 HydrophobicContact CB-CB 3.91Å; Q37-H440 PolarHBondContact N-ND1 2.85Å; W310-H440 AromaticContact CH2-CD2 3.95Å; W310-H440 AromaticContact CH2-CE1 3.92Å; W310-H440 AromaticContact CH2-NE2 3.23Å; W310-H440 WeakPolarHBondContact CH2-NE2 3.49Å; W310-H440 AromaticContact CZ3-NE2 3.83Å; G389-H440 PolarHBondContact O-CD2 3.13Å; G389-H440 PolarHBondContact O-NE2 3.34Å; E390-H440 IonicContact OE1-CD2 2.91Å; E390-H440 PolarHBondContact OE1-CD2 3.47Å; E390-H440 VanDerWaalsContact OE1-CD2 3.29Å; E390-H440 IonicContact OE1-CG 2.78Å
441	N	91.1	Very high	93.3	Very high	48 Å²	48	53.1 Å²	53.1	26%	0.257	27%	0.266	S	S	.	.	S	Bend	trans	-126.4	-3.4	-167.2	62.7	9.7	0	0	0	113.2	S38 Y46	S38-N441 PolarHBondContact O-ND2 3.49Å; Y46-N441 HydrophobicContact CD2-CB 4.09Å; Y46-N441 VanDerWaalsContact CD2-O 3.3Å; Y46-N441 WeakPolarHBondContact CD2-O 3.38Å; Y46-N441 WeakPolarHBondContact CE2-O 3.43Å; Y46-N441 HydrophobicContact CG-CB 3.9Å
442	K	91.2	Very high	93.5	Very high	30 Å²	30	53.1 Å²	53.1	13%	0.13	27%	0.266	C	S	.	.			trans	-128.8	133.9	-179.7	-166.2	164.2	-178.7	178.7	0	110.6	F444	K442-F444 HydrophobicContact CB-CE2 4.14Å; K442-F444 HydrophobicContact CB-CZ 4.14Å; K442-F444 HydrophobicContact CD-CD1 4.45Å; K442-F444 HydrophobicContact CD-CE1 3.69Å; K442-F444 HydrophobicContact CD-CZ 3.76Å; K442-F444 HydrophobicContact CG-CD1 4.41Å; K442-F444 HydrophobicContact CG-CE1 4.03Å; K442-F444 HydrophobicContact CG-CE2 4.32Å; K442-F444 HydrophobicContact CG-CZ 3.99Å
443	D	92.3	Very high	93.6	Very high	35 Å²	35	50.9 Å²	50.9	19%	0.187	25%	0.25	C	S	.	.			trans	-101.3	98.6	178.5	176.4	14.7	0	0	0	109.9	P438 L445 R446	P438-D443 HydrophobicContact CG-CB 3.89Å; D443-L445 VanDerWaalsContact C-N 3.31Å; D443-L445 PolarHBondContact O-N 3.37Å; D443-L445 WeakPolarHBondContact OD1-CB 3.47Å; D443-L445 PolarHBondContact OD1-N 3.31Å; D443-R446 IonicContact OD2-NE 2.78Å; D443-R446 PolarHBondContact OD2-NE 2.9Å
444	F	94.8	Very high	93.7	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.018	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-77.4	-11	-177.7	-66.1	-73.9	0	0	0	114.2	E390 V392 K442 R446 Y447 N448 N449 I451 W456	E390-F444 HydrophobicContact CB-CE2 4.26Å; E390-F444 HydrophobicContact CG-CE2 3.97Å; E390-F444 WeakPolarHBondContact OE2-CE2 3.37Å; V392-F444 HydrophobicContact CB-CB 4.18Å; V392-F444 HydrophobicContact CB-CD1 3.98Å; V392-F444 HydrophobicContact CB-CD2 3.94Å; V392-F444 HydrophobicContact CB-CE1 4.3Å; V392-F444 HydrophobicContact CB-CE2 4.28Å; V392-F444 HydrophobicContact CB-CG 3.77Å; V392-F444 HydrophobicContact CB-CZ 4.43Å; V392-F444 HydrophobicContact CG1-CD1 4.35Å; V392-F444 HydrophobicContact CG1-CD2 4.22Å; V392-F444 HydrophobicContact CG1-CE1 4.16Å; V392-F444 HydrophobicContact CG1-CE2 4.04Å; V392-F444 HydrophobicContact CG1-CG 4.37Å; V392-F444 HydrophobicContact CG1-CZ 3.99Å; V392-F444 HydrophobicContact CG2-CB 4.08Å; V392-F444 HydrophobicContact CG2-CD1 3.57Å; V392-F444 HydrophobicContact CG2-CD2 4.44Å; V392-F444 HydrophobicContact CG2-CE1 4.04Å; V392-F444 HydrophobicContact CG2-CG 3.79Å; K442-F444 HydrophobicContact CB-CE2 4.14Å; K442-F444 HydrophobicContact CB-CZ 4.14Å; K442-F444 HydrophobicContact CD-CD1 4.45Å; K442-F444 HydrophobicContact CD-CE1 3.69Å; K442-F444 HydrophobicContact CD-CZ 3.76Å; K442-F444 HydrophobicContact CG-CD1 4.41Å; K442-F444 HydrophobicContact CG-CE1 4.03Å; K442-F444 HydrophobicContact CG-CE2 4.32Å; K442-F444 HydrophobicContact CG-CZ 3.99Å; F444-R446 PolarHBondContact O-N 3.23Å; F444-Y447 CarbonylContact O-C 3.59Å; F444-Y447 PolarHBondContact O-N 3.43Å; F444-N448 PolarHBondContact O-N 3.29Å; F444-N449 WeakPolarHBondContact O-CA 3.45Å; F444-N449 PolarHBondContact O-N 2.84Å; F444-I451 HydrophobicContact CD1-CD1 4.34Å; F444-I451 HydrophobicContact CD1-CG2 4.46Å; F444-I451 HydrophobicContact CE1-CD1 4.02Å; F444-I451 HydrophobicContact CE1-CG2 4.12Å; F444-W456 HydrophobicContact CE1-CD2 4.3Å; F444-W456 HydrophobicContact CE1-CG 4.27Å; F444-W456 AromaticContact CZ-CD2 3.98Å; F444-W456 HydrophobicContact CZ-CD2 3.98Å; F444-W456 AromaticContact CZ-CE2 3.65Å; F444-W456 HydrophobicContact CZ-CG 4.25Å; F444-W456 HydrophobicContact CZ-CZ2 4.06Å; F444-W456 AromaticContact CZ-NE1 3.68Å
445	L	92.9	Very high	93.9	Very high	44 Å²	44	45.4 Å²	45.4	23%	0.23	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-59	-33	174.1	-71.8	168.5	0	0	0	111.4	R436 D443 Y447 N448 N449	R436-L445 HydrophobicContact CG-CD1 4.02Å; R436-L445 HydrophobicContact CG-CD2 4.27Å; R436-L445 HydrophobicContact CG-CG 4.29Å; D443-L445 VanDerWaalsContact C-N 3.31Å; D443-L445 PolarHBondContact O-N 3.37Å; D443-L445 WeakPolarHBondContact OD1-CB 3.47Å; D443-L445 PolarHBondContact OD1-N 3.31Å; L445-Y447 PolarHBondContact O-N 3.46Å; L445-Y447 VanDerWaalsContact O-N 3.1Å; L445-N448 PolarHBondContact O-N 3Å; L445-N449 WeakPolarHBondContact CD2-OD1 3.14Å
446	R	90.3	Very high	94	Very high	194 Å²	194	39.9 Å²	39.9	73%	0.732	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-62.1	-17.1	176.5	-59.8	-178.4	-176.1	-158.4	-3.6	113.7	D443 F444	D443-R446 IonicContact OD2-NE 2.78Å; D443-R446 PolarHBondContact OD2-NE 2.9Å; F444-R446 PolarHBondContact O-N 3.23Å
447	Y	90.2	Very high	94	Very high	103 Å²	103	41.8 Å²	41.8	40%	0.404	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-114.1	19.5	179.9	-55.2	-92	0	0	0	111.5	F444 L445 N449 I450	F444-Y447 CarbonylContact O-C 3.59Å; F444-Y447 PolarHBondContact O-N 3.43Å; L445-Y447 PolarHBondContact O-N 3.46Å; L445-Y447 VanDerWaalsContact O-N 3.1Å; Y447-N449 PolarHBondContact O-N 2.77Å; Y447-N449 VanDerWaalsContact O-N 3.17Å; Y447-I450 VanDerWaalsContact CB-O 3.24Å; Y447-I450 WeakPolarHBondContact CB-O 3.49Å; Y447-I450 WeakPolarHBondContact O-CG1 3.44Å; Y447-I450 PolarHBondContact O-N 3Å
448	N	93.3	Very high	94.2	Very high	129 Å²	129	41 Å²	41	69%	0.69	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	31	-174.2	-58.2	-18.7	0	0	0	113.1	F444 L445 I450	F444-N448 PolarHBondContact O-N 3.29Å; L445-N448 PolarHBondContact O-N 3Å; N448-I450 PolarHBondContact O-N 2.88Å
449	N	96.3	Very high	94.2	Very high	13 Å²	13	39.1 Å²	39.1	7%	0.07	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	19.8	179.8	-44.4	-57.9	0	0	0	115.2	V392 V393 A425 M431 R436 F444 L445 Y447	V392-N449 WeakPolarHBondContact CG2-O 3.32Å; V393-N449 PolarHBondContact N-O 3.23Å; A425-N449 HydrophobicContact CB-CB 4.09Å; M431-N449 HydrophobicContact CG-CB 3.61Å; M431-N449 PolarHBondContact O-ND2 3.28Å; M431-N449 PolarHBondContact O-OD1 2.84Å; M431-N449 HydrophobicContact SD-CB 4Å; R436-N449 PolarHBondContact NH2-OD1 3.41Å; F444-N449 WeakPolarHBondContact O-CA 3.45Å; F444-N449 PolarHBondContact O-N 2.84Å; L445-N449 WeakPolarHBondContact CD2-OD1 3.14Å; Y447-N449 PolarHBondContact O-N 2.77Å; Y447-N449 VanDerWaalsContact O-N 3.17Å
450	I	97.8	Very high	94.1	Very high	17 Å²	17	40.5 Å²	40.5	9%	0.087	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.8	171.5	65.5	170.2	0	0	0	109.1	V393 Y395 R418 A421 A425 Y447 N448	V393-I450 HydrophobicContact CB-CG2 4.47Å; V393-I450 VanDerWaalsContact O-CA 3.27Å; V393-I450 WeakPolarHBondContact O-CA 3.45Å; Y395-I450 HydrophobicContact CD1-CB 4.45Å; Y395-I450 HydrophobicContact CE1-CB 4.09Å; Y395-I450 HydrophobicContact CE1-CD1 4.18Å; Y395-I450 HydrophobicContact CE1-CG1 4.22Å; R418-I450 HydrophobicContact CB-CD1 4.17Å; R418-I450 HydrophobicContact CG-CD1 4.33Å; A421-I450 VanDerWaalsContact C-CG2 3.49Å; A421-I450 HydrophobicContact CB-CB 3.91Å; A421-I450 HydrophobicContact CB-CG2 3.55Å; A425-I450 HydrophobicContact CB-CG2 3.91Å; Y447-I450 VanDerWaalsContact CB-O 3.24Å; Y447-I450 WeakPolarHBondContact CB-O 3.49Å; Y447-I450 WeakPolarHBondContact O-CG1 3.44Å; Y447-I450 PolarHBondContact O-N 3Å; N448-I450 PolarHBondContact O-N 2.88Å
451	I	97.8	Very high	94.1	Very high	3 Å²	3	40 Å²	40	2%	0.015	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	146.1	177	-163.1	163.1	0	0	0	111.3	V392 V393 T394 Y395 F444 D455 W456	V392-I451 HydrophobicContact CG2-CB 4.34Å; V392-I451 HydrophobicContact CG2-CG2 3.77Å; V393-I451 PolarHBondContact O-N 2.92Å; T394-I451 CarbonylContact C-O 3.42Å; T394-I451 WeakPolarHBondContact CA-O 3.31Å; T394-I451 HydrophobicContact CG2-CG2 3.96Å; Y395-I451 VanDerWaalsContact CD1-O 3.27Å; Y395-I451 WeakPolarHBondContact CD1-O 3.39Å; Y395-I451 WeakPolarHBondContact CE1-O 3.46Å; Y395-I451 PolarHBondContact N-O 3.17Å; F444-I451 HydrophobicContact CD1-CD1 4.34Å; F444-I451 HydrophobicContact CD1-CG2 4.46Å; F444-I451 HydrophobicContact CE1-CD1 4.02Å; F444-I451 HydrophobicContact CE1-CG2 4.12Å; I451-D455 HydrophobicContact CG1-CB 4.31Å; I451-W456 HydrophobicContact CD1-CB 4Å; I451-W456 HydrophobicContact CG1-CB 4.4Å; I451-W456 HydrophobicContact CG2-CB 4.05Å
452	N	98.1	Very high	94.4	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	135.5	167.1	167.8	-109.3	0	0	0	109.1	Y395 P396 Y397 H408 T409 A454 D455 W456	Y395-N452 HydrophobicContact CD2-CB 4.36Å; Y395-N452 HydrophobicContact CE2-CB 3.77Å; Y395-N452 CarbonylContact O-C 3.54Å; Y395-N452 WeakPolarHBondContact O-CA 3.09Å; Y395-N452 PolarHBondContact O-ND2 3.18Å; P396-N452 VanDerWaalsContact C-ND2 3.27Å; P396-N452 PolarHBondContact O-ND2 2.8Å; P396-N452 VanDerWaalsContact O-ND2 3.11Å; Y397-N452 PolarHBondContact N-ND2 2.89Å; Y397-N452 VanDerWaalsContact N-ND2 3.14Å; Y397-N452 PolarHBondContact O-ND2 3.46Å; H408-N452 WeakPolarHBondContact ND1-CB 3.5Å; T409-N452 PolarHBondContact N-OD1 3.41Å; T409-N452 PolarHBondContact O-ND2 3.1Å; N452-A454 PolarHBondContact O-N 3.09Å; N452-A454 PolarHBondContact OD1-N 3.4Å; N452-D455 HydrophobicContact CB-CB 4.01Å; N452-D455 WeakPolarHBondContact O-CB 3.31Å; N452-D455 PolarHBondContact O-N 3.23Å; N452-D455 VanDerWaalsContact O-N 3.16Å; N452-D455 PolarHBondContact OD1-N 3.45Å; N452-D455 VanDerWaalsContact OD1-N 3.13Å; N452-W456 PolarHBondContact O-N 3.15Å
453	G	97	Very high	94.7	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-55.4	-52.6	-175.3	0	0	0	0	0	112.6	Y395 Y397 D398 D455 W456 H457	Y395-G453 PolarHBondContact O-N 3.11Å; Y397-G453 PolarHBondContact O-N 3.38Å; D398-G453 WeakPolarHBondContact OD1-CA 3.45Å; G453-D455 VanDerWaalsContact C-N 3.28Å; G453-D455 PolarHBondContact O-N 2.89Å; G453-W456 WeakPolarHBondContact O-CA 3.45Å; G453-W456 WeakPolarHBondContact O-CB 3.36Å; G453-W456 PolarHBondContact O-N 2.95Å; G453-H457 PolarHBondContact O-N 2.88Å
454	A	96.7	Very high	94.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.4	-29.7	179.4	0	0	0	0	0	113.6	Y397 D398 T400 R406 E407 N452 W456	Y397-A454 WeakPolarHBondContact O-CB 3.23Å; Y397-A454 PolarHBondContact O-N 3.2Å; D398-A454 WeakPolarHBondContact O-CA 3.32Å; T400-A454 HydrophobicContact CG2-CB 3.81Å; R406-A454 VanDerWaalsContact CA-O 3.3Å; R406-A454 WeakPolarHBondContact CA-O 3.31Å; E407-A454 PolarHBondContact N-O 3.01Å; E407-A454 CarbonylContact O-C 3.59Å; E407-A454 WeakPolarHBondContact O-CB 3.31Å; N452-A454 PolarHBondContact O-N 3.09Å; N452-A454 PolarHBondContact OD1-N 3.4Å; A454-W456 VanDerWaalsContact C-N 3.31Å
455	D	95.5	Very high	95	Very high	49 Å²	49	34.6 Å²	34.6	26%	0.262	16%	0.161	S	C	.	.	H	α-helix	trans	-71.4	-25.7	173.2	-169	34.6	0	0	0	112.4	E407 H408 I451 N452 G453	E407-D455 PolarHBondContact O-N 2.93Å; H408-D455 HydrophobicContact CB-CB 4.27Å; I451-D455 HydrophobicContact CG1-CB 4.31Å; N452-D455 HydrophobicContact CB-CB 4.01Å; N452-D455 WeakPolarHBondContact O-CB 3.31Å; N452-D455 PolarHBondContact O-N 3.23Å; N452-D455 VanDerWaalsContact O-N 3.16Å; N452-D455 PolarHBondContact OD1-N 3.45Å; N452-D455 VanDerWaalsContact OD1-N 3.13Å; G453-D455 VanDerWaalsContact C-N 3.28Å; G453-D455 PolarHBondContact O-N 2.89Å
456	W	94.5	Very high	95.2	Very high	32 Å²	32	32.6 Å²	32.6	12%	0.121	15%	0.151	C	C	.	.	H	α-helix	trans	-81.6	-56.1	171.9	-176.3	16.2	0	0	0	112.1	E390 V392 T394 R406 F444 I451 N452 G453 A454 E479	E390-W456 HydrophobicContact CB-CH2 4.06Å; E390-W456 HydrophobicContact CB-CZ2 4.24Å; E390-W456 HydrophobicContact CG-CH2 4.11Å; E390-W456 HydrophobicContact CG-CZ2 3.78Å; V392-W456 HydrophobicContact CG1-CE3 4.5Å; V392-W456 HydrophobicContact CG1-CH2 4.44Å; V392-W456 HydrophobicContact CG1-CZ3 4.15Å; T394-W456 HydrophobicContact CG2-CE3 3.47Å; T394-W456 VanDerWaalsContact CG2-CE3 3.47Å; T394-W456 HydrophobicContact CG2-CZ3 3.61Å; R406-W456 VanDerWaalsContact CD-O 3.27Å; R406-W456 WeakPolarHBondContact CD-O 3.45Å; R406-W456 WeakPolarHBondContact CG-O 3.32Å; R406-W456 PolarHBondContact NE-O 2.89Å; F444-W456 HydrophobicContact CE1-CD2 4.3Å; F444-W456 HydrophobicContact CE1-CG 4.27Å; F444-W456 AromaticContact CZ-CD2 3.98Å; F444-W456 HydrophobicContact CZ-CD2 3.98Å; F444-W456 AromaticContact CZ-CE2 3.65Å; F444-W456 HydrophobicContact CZ-CG 4.25Å; F444-W456 HydrophobicContact CZ-CZ2 4.06Å; F444-W456 AromaticContact CZ-NE1 3.68Å; I451-W456 HydrophobicContact CD1-CB 4Å; I451-W456 HydrophobicContact CG1-CB 4.4Å; I451-W456 HydrophobicContact CG2-CB 4.05Å; N452-W456 PolarHBondContact O-N 3.15Å; G453-W456 WeakPolarHBondContact O-CA 3.45Å; G453-W456 WeakPolarHBondContact O-CB 3.36Å; G453-W456 PolarHBondContact O-N 2.95Å; A454-W456 VanDerWaalsContact C-N 3.31Å; W456-E479 HydrophobicContact CH2-CG 4.08Å; W456-E479 HydrophobicContact CZ3-CG 4.05Å
457	H	91.6	Very high	95.6	Very high	72 Å²	72	23.3 Å²	23.3	33%	0.333	12%	0.116	S	C	.	.			trans	-164.5	144.4	174.5	58.6	-75.7	0	0	0	110.2	G453 V459	G453-H457 PolarHBondContact O-N 2.88Å; H457-V459 WeakPolarHBondContact CD2-CG2 3.27Å; H457-V459 VanDerWaalsContact NE2-CG2 3.34Å; H457-V459 WeakPolarHBondContact NE2-CG2 3.38Å; H457-V459 PolarHBondContact O-N 3.12Å
458	N	93.6	Very high	96	Very high	28 Å²	28	18.4 Å²	18.4	15%	0.15	10%	0.096	C	C	.	.			trans	-68.3	120	178.8	-175.1	23.5	0	0	0	111.9	M399 T400 A404 P405	M399-N458 VanDerWaalsContact CA-OD1 3.31Å; M399-N458 WeakPolarHBondContact CA-OD1 3.34Å; T400-N458 HydrophobicContact CG2-CB 4.04Å; T400-N458 PolarHBondContact N-OD1 3.09Å; T400-N458 VanDerWaalsContact OG1-CG 3.24Å; T400-N458 PolarHBondContact OG1-ND2 3Å; T400-N458 PolarHBondContact OG1-OD1 3.12Å; A404-N458 WeakPolarHBondContact O-CB 3.34Å; P405-N458 PolarHBondContact O-N 3.4Å
459	V	93.8	Very high	96.2	Very high	4 Å²	4	12.3 Å²	12.3	2%	0.024	6%	0.064	C	C	.	.			trans	-126	84.1	177.7	-176.6	0	0	0	0	109.7	N323 D398 H457	N323-V459 WeakPolarHBondContact O-CG1 3.21Å; D398-V459 HydrophobicContact CB-CB 4.15Å; D398-V459 PolarHBondContact O-N 2.77Å; H457-V459 WeakPolarHBondContact CD2-CG2 3.27Å; H457-V459 VanDerWaalsContact NE2-CG2 3.34Å; H457-V459 WeakPolarHBondContact NE2-CG2 3.38Å; H457-V459 PolarHBondContact O-N 3.12Å
460	P	93.2	Very high	96.2	Very high	30 Å²	30	12 Å²	12	20%	0.195	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	140.5	172.8	28.8	-34.4	0	0	0	110.8	H324 M399 W403	H324-P460 WeakPolarHBondContact CA-O 3.42Å; M399-P460 HydrophobicContact CE-CB 4.28Å; M399-P460 HydrophobicContact CG-CB 4.22Å; M399-P460 HydrophobicContact SD-CB 3.89Å; W403-P460 HydrophobicContact CH2-CB 4.49Å; W403-P460 HydrophobicContact CZ3-CB 4.37Å; W403-P460 HydrophobicContact CZ3-CG 4.06Å
461	G	94.3	Very high	96.2	Very high	3 Å²	3	11.6 Å²	11.6	3%	0.031	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	32.4	-179.4	0	0	0	0	0	113.8	H324 N325 F326	H324-G461 CarbonylContact C-O 3.56Å; H324-G461 WeakPolarHBondContact CA-O 3.23Å; N325-G461 PolarHBondContact N-O 3.5Å; F326-G461 WeakPolarHBondContact CB-O 3.45Å; F326-G461 PolarHBondContact N-O 3.42Å; F326-G461 VanDerWaalsContact O-CA 3.27Å; F326-G461 WeakPolarHBondContact O-CA 3.34Å
462	S	96.9	Very high	96.2	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.007	7%	0.065	C	C	.	.			trans	-73.3	154.8	174.8	90.4	0	0	0	0	112.3	N323 D398 N464 D465 F466	N323-S462 WeakPolarHBondContact O-CA 3.48Å; D398-S462 WeakPolarHBondContact CB-OG 3.33Å; D398-S462 VanDerWaalsContact OD2-CB 3.23Å; D398-S462 WeakPolarHBondContact OD2-CB 3.34Å; D398-S462 PolarHBondContact OD2-OG 3.5Å; S462-N464 VanDerWaalsContact C-N 3.35Å; S462-N464 PolarHBondContact OG-N 3.05Å; S462-D465 PolarHBondContact OG-N 2.96Å; S462-D465 VanDerWaalsContact OG-N 3.16Å; S462-F466 WeakPolarHBondContact O-CB 3.47Å; S462-F466 PolarHBondContact O-N 2.94Å
463	M	97.4	Very high	96.2	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-67.2	-36.4	175.5	-167.3	171	64.9	0	0	112.2	V245 M248 M292 F326 V371 M375 N385 F466 S467 E475	V245-M463 HydrophobicContact CB-CE 3.99Å; V245-M463 HydrophobicContact CG1-CE 4.07Å; V245-M463 HydrophobicContact CG2-CE 4.24Å; M248-M463 HydrophobicContact CE-CB 3.66Å; M248-M463 HydrophobicContact CE-CE 3.5Å; M248-M463 VanDerWaalsContact CE-CE 3.5Å; M248-M463 HydrophobicContact CE-CG 4.16Å; M248-M463 HydrophobicContact CE-SD 3.53Å; M248-M463 VanDerWaalsContact CE-SD 3.53Å; M292-M463 HydrophobicContact SD-SD 4.47Å; F326-M463 HydrophobicContact CD1-CG 4.41Å; F326-M463 HydrophobicContact CD2-CB 3.86Å; F326-M463 HydrophobicContact CD2-CG 4.3Å; F326-M463 HydrophobicContact CE1-CB 4.42Å; F326-M463 HydrophobicContact CE1-CG 3.83Å; F326-M463 HydrophobicContact CE1-SD 4.38Å; F326-M463 HydrophobicContact CE2-CB 3.56Å; F326-M463 HydrophobicContact CE2-CG 3.7Å; F326-M463 HydrophobicContact CE2-SD 4.1Å; F326-M463 HydrophobicContact CG-CB 4.42Å; F326-M463 HydrophobicContact CZ-CB 3.88Å; F326-M463 HydrophobicContact CZ-CG 3.44Å; F326-M463 VanDerWaalsContact CZ-CG 3.44Å; F326-M463 HydrophobicContact CZ-SD 3.64Å; V371-M463 HydrophobicContact CG1-SD 3.94Å; M375-M463 HydrophobicContact CE-CG 3.32Å; M375-M463 HydrophobicContact CE-SD 3.63Å; N385-M463 HydrophobicContact CB-CE 3.39Å; M463-F466 PolarHBondContact O-N 3.14Å; M463-S467 WeakPolarHBondContact O-CB 3.5Å; M463-S467 PolarHBondContact O-N 3.11Å; M463-S467 PolarHBondContact O-OG 2.71Å; M463-E475 WeakPolarHBondContact CG-OE1 3.12Å
464	N	96.6	Very high	96.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.8	-47.8	-177.2	-56.9	-25.5	0	0	0	111.7	P396 D398 S462 F466 S467 Y468 E475 T477	P396-N464 HydrophobicContact CG-CB 3.89Å; D398-N464 WeakPolarHBondContact OD2-CB 3.17Å; D398-N464 PolarHBondContact OD2-ND2 2.92Å; S462-N464 VanDerWaalsContact C-N 3.35Å; S462-N464 PolarHBondContact OG-N 3.05Å; N464-F466 VanDerWaalsContact C-N 3.31Å; N464-F466 PolarHBondContact O-N 3.05Å; N464-S467 WeakPolarHBondContact O-CB 3.45Å; N464-S467 PolarHBondContact O-N 3.36Å; N464-Y468 PolarHBondContact O-N 3.16Å; N464-E475 WeakPolarHBondContact OD1-CG 3.39Å; N464-T477 PolarHBondContact ND2-OG1 3.24Å; N464-T477 PolarHBondContact OD1-OG1 3.38Å
465	D	97.7	Very high	96.3	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-65.5	-39.9	-179.4	-74.6	8.9	0	0	0	110	N330 Y397 D398 M399 S462 Y468 L469	N330-D465 PolarHBondContact ND2-OD2 3.03Å; N330-D465 WeakPolarHBondContact OD1-CB 3.31Å; N330-D465 PolarHBondContact OD1-OD2 3.24Å; Y397-D465 WeakPolarHBondContact CA-OD1 3.21Å; Y397-D465 HydrophobicContact CD1-CB 4.37Å; D398-D465 VanDerWaalsContact N-CG 3.31Å; D398-D465 PolarHBondContact N-OD1 2.93Å; D398-D465 PolarHBondContact N-OD2 2.7Å; M399-D465 PolarHBondContact N-OD2 3.12Å; S462-D465 PolarHBondContact OG-N 2.96Å; S462-D465 VanDerWaalsContact OG-N 3.16Å; D465-Y468 PolarHBondContact O-N 2.03Å; D465-L469 VanDerWaalsContact O-CB 3.25Å; D465-L469 WeakPolarHBondContact O-CB 3.45Å; D465-L469 VanDerWaalsContact O-CG 3.24Å; D465-L469 WeakPolarHBondContact O-CG 3.44Å; D465-L469 PolarHBondContact O-N 3.46Å
466	F	97.8	Very high	96.4	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.009	5%	0.052	C	C	.	.	H	α-helix	trans	-60.6	-47.3	173.3	-178.7	-88.9	0	0	0	112.2	F326 A327 L329 I353 I372 M375 S462 M463 N464 Y468 L469 H470	F326-F466 HydrophobicContact CB-CB 3.85Å; F326-F466 HydrophobicContact CB-CD2 4.31Å; F326-F466 HydrophobicContact CB-CG 4.14Å; F326-F466 HydrophobicContact CD1-CB 4.02Å; F326-F466 AromaticContact CD1-CD1 3.84Å; F326-F466 HydrophobicContact CD1-CD1 3.84Å; F326-F466 HydrophobicContact CD1-CD2 4.4Å; F326-F466 HydrophobicContact CD1-CE1 4.46Å; F326-F466 AromaticContact CD1-CG 3.81Å; F326-F466 HydrophobicContact CD1-CG 3.81Å; F326-F466 HydrophobicContact CE1-CD1 4.42Å; F326-F466 HydrophobicContact CG-CB 4.21Å; F326-F466 HydrophobicContact CG-CG 4.39Å; A327-F466 HydrophobicContact CB-CD2 4.08Å; A327-F466 HydrophobicContact CB-CE2 4.02Å; L329-F466 HydrophobicContact CD1-CD2 3.81Å; L329-F466 HydrophobicContact CD1-CE2 4.02Å; L329-F466 HydrophobicContact CG-CD2 4.29Å; I353-F466 HydrophobicContact CD1-CE2 4.12Å; I353-F466 HydrophobicContact CD1-CZ 3.89Å; I353-F466 HydrophobicContact CG1-CE2 4.11Å; I353-F466 HydrophobicContact CG1-CZ 4.27Å; I372-F466 HydrophobicContact CB-CE1 4.42Å; I372-F466 HydrophobicContact CB-CZ 4.33Å; I372-F466 HydrophobicContact CD1-CE2 4.3Å; I372-F466 HydrophobicContact CD1-CZ 4.15Å; I372-F466 HydrophobicContact CG1-CD1 4.47Å; I372-F466 HydrophobicContact CG1-CE1 3.85Å; I372-F466 HydrophobicContact CG1-CE2 4.41Å; I372-F466 HydrophobicContact CG1-CZ 3.81Å; I372-F466 HydrophobicContact CG2-CE1 4.24Å; I372-F466 HydrophobicContact CG2-CZ 3.79Å; M375-F466 HydrophobicContact CE-CD1 4.45Å; M375-F466 HydrophobicContact SD-CD1 3.64Å; M375-F466 HydrophobicContact SD-CE1 3.66Å; S462-F466 WeakPolarHBondContact O-CB 3.47Å; S462-F466 PolarHBondContact O-N 2.94Å; M463-F466 PolarHBondContact O-N 3.14Å; N464-F466 VanDerWaalsContact C-N 3.31Å; N464-F466 PolarHBondContact O-N 3.05Å; F466-Y468 VanDerWaalsContact C-N 3.34Å; F466-Y468 PolarHBondContact O-N 3.34Å; F466-L469 PolarHBondContact O-N 3.47Å; F466-H470 HydrophobicContact CD1-CB 4.31Å; F466-H470 HydrophobicContact CD2-CB 4.35Å; F466-H470 HydrophobicContact CE1-CB 3.97Å; F466-H470 AromaticContact CE1-CD2 3.91Å; F466-H470 HydrophobicContact CE2-CB 4.02Å; F466-H470 HydrophobicContact CG-CB 4.49Å; F466-H470 HydrophobicContact CZ-CB 3.81Å; F466-H470 AromaticContact CZ-CD2 3.44Å; F466-H470 VanDerWaalsContact CZ-CD2 3.44Å; F466-H470 WeakPolarHBondContact CZ-CD2 3.01Å; F466-H470 AromaticContact CZ-CG 3.67Å; F466-H470 WeakPolarHBondContact O-CB 3.36Å; F466-H470 PolarHBondContact O-N 3.32Å
467	S	97.6	Very high	96.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-54.8	-49.9	177.8	-70.4	0	0	0	0	111.6	R243 M463 N464 T471 C473 E475	R243-S467 PolarHBondContact NH2-OG 3.06Å; M463-S467 WeakPolarHBondContact O-CB 3.5Å; M463-S467 PolarHBondContact O-N 3.11Å; M463-S467 PolarHBondContact O-OG 2.71Å; N464-S467 WeakPolarHBondContact O-CB 3.45Å; N464-S467 PolarHBondContact O-N 3.36Å; S467-T471 CarbonylContact O-C 3.5Å; S467-T471 WeakPolarHBondContact O-CA 2.99Å; S467-T471 WeakPolarHBondContact O-CB 3.35Å; S467-T471 PolarHBondContact O-N 2.75Å; S467-T471 PolarHBondContact O-OG1 3.13Å; S467-C473 CarbonylContact C-O 3.51Å; S467-E475 PolarHBondContact OG-OE1 3.36Å
468	Y	98	Very high	96.9	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-69.5	-40.5	-177.6	-175.9	-110.5	0	0	0	112.5	Y397 T411 D413 F417 N464 D465 F466 F474 H538	Y397-Y468 AromaticContact CE1-CD1 3.79Å; Y397-Y468 HydrophobicContact CE1-CD1 3.79Å; Y397-Y468 HydrophobicContact CE1-CE1 4.19Å; Y397-Y468 AromaticContact CZ-CE1 3.94Å; Y397-Y468 WeakPolarHBondContact OH-CE1 3.41Å; T411-Y468 HydrophobicContact CG2-CD1 4.18Å; T411-Y468 HydrophobicContact CG2-CE1 3.83Å; D413-Y468 HydrophobicContact CB-CE2 4.32Å; D413-Y468 PolarHBondContact OD2-OH 2.92Å; F417-Y468 AromaticContact CE2-CD2 3.72Å; F417-Y468 HydrophobicContact CE2-CD2 3.72Å; F417-Y468 AromaticContact CE2-CE2 3.54Å; F417-Y468 HydrophobicContact CE2-CE2 3.54Å; F417-Y468 HydrophobicContact CE2-CG 4.34Å; F417-Y468 AromaticContact CZ-CD2 3.61Å; F417-Y468 HydrophobicContact CZ-CD2 3.61Å; F417-Y468 AromaticContact CZ-CE2 3.93Å; F417-Y468 HydrophobicContact CZ-CE2 3.93Å; F417-Y468 HydrophobicContact CZ-CG 4.18Å; N464-Y468 PolarHBondContact O-N 3.16Å; D465-Y468 PolarHBondContact O-N 2.03Å; F466-Y468 VanDerWaalsContact C-N 3.34Å; F466-Y468 PolarHBondContact O-N 3.34Å; Y468-F474 HydrophobicContact CD2-CD1 4.1Å; Y468-F474 HydrophobicContact CD2-CE1 4.06Å; Y468-F474 HydrophobicContact CD2-CZ 4.49Å; Y468-F474 HydrophobicContact CE2-CD1 4.23Å; Y468-F474 AromaticContact CE2-CE1 3.77Å; Y468-F474 HydrophobicContact CE2-CE1 3.77Å; Y468-F474 HydrophobicContact CE2-CE2 4.3Å; Y468-F474 AromaticContact CE2-CZ 3.82Å; Y468-F474 HydrophobicContact CE2-CZ 3.82Å; Y468-H538 AromaticContact CD2-NE2 3.75Å; Y468-H538 AromaticContact CE1-CE1 3.95Å; Y468-H538 AromaticContact CE1-ND1 3.88Å; Y468-H538 AromaticContact CE2-CD2 3.38Å; Y468-H538 WeakPolarHBondContact CE2-CD2 3.49Å; Y468-H538 AromaticContact CE2-CE1 3.89Å; Y468-H538 AromaticContact CE2-CG 3.95Å; Y468-H538 AromaticContact CE2-NE2 3.41Å; Y468-H538 WeakPolarHBondContact CE2-NE2 3.24Å; Y468-H538 AromaticContact CZ-CD2 3.46Å; Y468-H538 VanDerWaalsContact CZ-CD2 3.46Å; Y468-H538 AromaticContact CZ-CE1 3.8Å; Y468-H538 AromaticContact CZ-CG 3.51Å; Y468-H538 AromaticContact CZ-ND1 3.73Å; Y468-H538 AromaticContact CZ-NE2 3.71Å; Y468-H538 PolarHBondContact O-CE1 3.06Å; Y468-H538 WeakPolarHBondContact OH-CB 3.07Å; Y468-H538 PolarHBondContact OH-CD2 3.15Å; Y468-H538 VanDerWaalsContact OH-CG 3.24Å
469	L	97.6	Very high	97.2	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-82	-32.7	-176	-67.7	173.8	0	0	0	113.4	L329 N330 M333 Y350 F351 Y397 D465 F466	L329-L469 HydrophobicContact CB-CB 3.87Å; L329-L469 HydrophobicContact CB-CD1 3.69Å; L329-L469 HydrophobicContact CB-CG 4.43Å; L329-L469 HydrophobicContact CD1-CB 4Å; N330-L469 HydrophobicContact CB-CD1 4.42Å; N330-L469 WeakPolarHBondContact OD1-CD1 3.44Å; M333-L469 HydrophobicContact CE-CD2 4.22Å; M333-L469 HydrophobicContact SD-CD2 3.66Å; Y350-L469 WeakPolarHBondContact CA-O 3.46Å; Y350-L469 PolarHBondContact N-O 3.44Å; F351-L469 HydrophobicContact CD2-CB 4.08Å; F351-L469 HydrophobicContact CD2-CD2 4.08Å; F351-L469 WeakPolarHBondContact CD2-O 3.06Å; F351-L469 HydrophobicContact CE2-CD2 3.93Å; F351-L469 PolarHBondContact N-O 3.48Å; Y397-L469 HydrophobicContact CE1-CD1 4.06Å; Y397-L469 HydrophobicContact CE1-CD2 3.91Å; Y397-L469 HydrophobicContact CE1-CG 3.99Å; Y397-L469 WeakPolarHBondContact OH-CD2 3.46Å; D465-L469 VanDerWaalsContact O-CB 3.25Å; D465-L469 WeakPolarHBondContact O-CB 3.45Å; D465-L469 VanDerWaalsContact O-CG 3.24Å; D465-L469 WeakPolarHBondContact O-CG 3.44Å; D465-L469 PolarHBondContact O-N 3.46Å; F466-L469 PolarHBondContact O-N 3.47Å
470	H	97.4	Very high	97.4	Very high	7 Å²	7	4.5 Å²	4.5	3%	0.032	3%	0.026	C	C	.	.	H	α-helix	trans	-96.9	-23.7	-175.8	-163.3	53.1	0	0	0	114.1	L329 Y350 F351 Q376 F466	L329-H470 HydrophobicContact CD1-CB 3.62Å; Y350-H470 WeakPolarHBondContact CD2-O 3.4Å; Y350-H470 WeakPolarHBondContact CE2-O 3.27Å; F351-H470 PolarHBondContact O-CE1 2.99Å; F351-H470 PolarHBondContact O-ND1 3.38Å; Q376-H470 PolarHBondContact NE2-NE2 2.94Å; F466-H470 HydrophobicContact CD1-CB 4.31Å; F466-H470 HydrophobicContact CD2-CB 4.35Å; F466-H470 HydrophobicContact CE1-CB 3.97Å; F466-H470 AromaticContact CE1-CD2 3.91Å; F466-H470 HydrophobicContact CE2-CB 4.02Å; F466-H470 HydrophobicContact CG-CB 4.49Å; F466-H470 HydrophobicContact CZ-CB 3.81Å; F466-H470 AromaticContact CZ-CD2 3.44Å; F466-H470 VanDerWaalsContact CZ-CD2 3.44Å; F466-H470 WeakPolarHBondContact CZ-CD2 3.01Å; F466-H470 AromaticContact CZ-CG 3.67Å; F466-H470 WeakPolarHBondContact O-CB 3.36Å; F466-H470 PolarHBondContact O-N 3.32Å
471	T	97.6	Very high	97.4	Very high	8 Å²	8	3.4 Å²	3.4	5%	0.049	2%	0.019	C	C	.	.	S	Bend	trans	-134.6	177.9	-172.7	80.9	0	0	0	0	111.7	H349 M375 S467 C473	H349-T471 PolarHBondContact CE1-O 2.79Å; H349-T471 PolarHBondContact ND1-O 3.22Å; M375-T471 HydrophobicContact CB-CG2 4.2Å; S467-T471 CarbonylContact O-C 3.5Å; S467-T471 WeakPolarHBondContact O-CA 2.99Å; S467-T471 WeakPolarHBondContact O-CB 3.35Å; S467-T471 PolarHBondContact O-N 2.75Å; S467-T471 PolarHBondContact O-OG1 3.13Å; T471-C473 PolarHBondContact O-N 2.82Å; T471-C473 VanDerWaalsContact OG1-CB 3.3Å; T471-C473 WeakPolarHBondContact OG1-CB 3.37Å; T471-C473 PolarHBondContact OG1-N 3.37Å
472	N	97.7	Very high	97.5	Very high	21 Å²	21	3.5 Å²	3.5	11%	0.112	2%	0.019	C	C	.	.	S	Bend	trans	-75.4	-8.6	172.4	-70.1	-29.9	0	0	0	113.7	H349 F380 F474 I540 R541	H349-N472 PolarHBondContact CE1-OD1 2.97Å; H349-N472 PolarHBondContact NE2-OD1 3.02Å; F380-N472 CarbonylContact O-C 3.59Å; N472-F474 PolarHBondContact O-N 3.32Å; N472-I540 WeakPolarHBondContact OD1-CA 3.39Å; N472-I540 WeakPolarHBondContact OD1-CB 3.42Å; N472-R541 PolarHBondContact ND2-O 2.79Å; N472-R541 PolarHBondContact OD1-N 3.17Å
473	C	98.5	Very high	97.4	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.022	C	C	.	.			trans	-77.3	125.4	-168.3	-170.8	0	0	0	0	111.7	F380 S467 T471	F380-C473 HydrophobicContact CB-CB 3.81Å; F380-C473 VanDerWaalsContact O-CA 3.26Å; F380-C473 WeakPolarHBondContact O-CA 3.21Å; F380-C473 WeakPolarHBondContact O-CB 3.42Å; F380-C473 PolarHBondContact O-N 3.3Å; S467-C473 CarbonylContact C-O 3.51Å; T471-C473 PolarHBondContact O-N 2.82Å; T471-C473 VanDerWaalsContact OG1-CB 3.3Å; T471-C473 WeakPolarHBondContact OG1-CB 3.37Å; T471-C473 PolarHBondContact OG1-N 3.37Å
474	F	98.5	Very high	97.4	Very high	3 Å²	3	4.7 Å²	4.7	1%	0.013	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	126.1	167.3	-76.8	37.3	0	0	0	107.6	A381 L382 G383 D413 F416 F417 L420 Y468 N472 L551	A381-F474 PolarHBondContact O-N 2.66Å; L382-F474 HydrophobicContact CD1-CB 4.24Å; G383-F474 PolarHBondContact N-O 3.01Å; D413-F474 HydrophobicContact CB-CE2 3.71Å; D413-F474 HydrophobicContact CB-CZ 3.94Å; F416-F474 AromaticContact CD1-CD2 3.73Å; F416-F474 HydrophobicContact CD1-CD2 3.73Å; F416-F474 AromaticContact CD1-CE2 3.83Å; F416-F474 HydrophobicContact CD1-CE2 3.83Å; F416-F474 HydrophobicContact CE1-CD2 4.18Å; F417-F474 HydrophobicContact CE1-CB 4.08Å; F417-F474 HydrophobicContact CE1-CD2 4.2Å; F417-F474 HydrophobicContact CE1-CG 4.38Å; F417-F474 AromaticContact CE2-CD2 3.99Å; F417-F474 HydrophobicContact CE2-CD2 3.99Å; F417-F474 HydrophobicContact CE2-CE2 4.21Å; F417-F474 HydrophobicContact CZ-CB 4.1Å; F417-F474 AromaticContact CZ-CD2 3.82Å; F417-F474 HydrophobicContact CZ-CD2 3.82Å; F417-F474 HydrophobicContact CZ-CE2 4.46Å; F417-F474 AromaticContact CZ-CG 3.99Å; F417-F474 HydrophobicContact CZ-CG 3.99Å; L420-F474 HydrophobicContact CD1-CB 4.28Å; L420-F474 HydrophobicContact CD1-CD2 4.49Å; Y468-F474 HydrophobicContact CD2-CD1 4.1Å; Y468-F474 HydrophobicContact CD2-CE1 4.06Å; Y468-F474 HydrophobicContact CD2-CZ 4.49Å; Y468-F474 HydrophobicContact CE2-CD1 4.23Å; Y468-F474 AromaticContact CE2-CE1 3.77Å; Y468-F474 HydrophobicContact CE2-CE1 3.77Å; Y468-F474 HydrophobicContact CE2-CE2 4.3Å; Y468-F474 AromaticContact CE2-CZ 3.82Å; Y468-F474 HydrophobicContact CE2-CZ 3.82Å; N472-F474 PolarHBondContact O-N 3.32Å; F474-L551 HydrophobicContact CB-CD1 4.17Å; F474-L551 HydrophobicContact CD2-CD1 4.48Å; F474-L551 HydrophobicContact CG-CD1 4.24Å
475	E	96.3	Very high	97.5	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139.2	-177	-166.9	164.7	57.3	0	0	112.1	R243 G383 P396 F417 M463 N464 S467	R243-E475 IonicContact CZ-OE1 3.89Å; R243-E475 IonicContact CZ-OE2 3.19Å; R243-E475 IonicContact NE-OE2 2.8Å; R243-E475 IonicContact NH1-OE2 3.56Å; R243-E475 PolarHBondContact NH1-OE2 2.65Å; R243-E475 IonicContact NH2-OE1 2.69Å; R243-E475 PolarHBondContact NH2-OE1 3.04Å; R243-E475 VanDerWaalsContact NH2-OE1 3.07Å; R243-E475 IonicContact NH2-OE2 3.98Å; R243-E475 PolarHBondContact NH2-OE2 3.22Å; G383-E475 VanDerWaalsContact O-CA 3.3Å; G383-E475 WeakPolarHBondContact O-CA 3.43Å; P396-E475 WeakPolarHBondContact CD-O 3.22Å; P396-E475 WeakPolarHBondContact CG-O 3.26Å; F417-E475 WeakPolarHBondContact CE1-O 3.41Å; M463-E475 WeakPolarHBondContact CG-OE1 3.12Å; N464-E475 WeakPolarHBondContact OD1-CG 3.39Å; S467-E475 PolarHBondContact OG-OE1 3.36Å
476	V	98.4	Very high	97.5	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	156.4	175.1	-54.4	0	0	0	0	109.8	G383 A384 N385 V393 T394 F417 L420 V478 Y505	G383-V476 PolarHBondContact O-N 2.96Å; A384-V476 VanDerWaalsContact CA-O 3.27Å; A384-V476 WeakPolarHBondContact CA-O 3.3Å; A384-V476 HydrophobicContact CB-CG2 3.79Å; A384-V476 WeakPolarHBondContact CB-O 3.21Å; N385-V476 PolarHBondContact N-O 3.25Å; V393-V476 HydrophobicContact CG1-CB 4.23Å; V393-V476 HydrophobicContact CG1-CG2 4.01Å; T394-V476 WeakPolarHBondContact O-CB 3.38Å; F417-V476 HydrophobicContact CD1-CG1 3.95Å; F417-V476 HydrophobicContact CE1-CG1 4.33Å; L420-V476 HydrophobicContact CB-CG1 4.39Å; V476-V478 HydrophobicContact CG2-CG2 4.25Å; V476-Y505 HydrophobicContact CG2-CE2 3.64Å; V476-Y505 VanDerWaalsContact CG2-OH 3.28Å; V476-Y505 WeakPolarHBondContact CG2-OH 3.38Å
477	T	98.6	Very high	97.4	Very high	3 Å²	3	7.1 Å²	7.1	2%	0.018	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.6	168.8	-60.2	0	0	0	0	110	N385 H387 V393 T394 N464	N385-T477 CarbonylContact O-C 3.55Å; N385-T477 WeakPolarHBondContact O-CA 3.44Å; H387-T477 HydrophobicContact CB-CG2 3.9Å; V393-T477 CarbonylContact C-O 3.59Å; V393-T477 WeakPolarHBondContact CA-O 3.43Å; T394-T477 PolarHBondContact N-O 2.66Å; T394-T477 PolarHBondContact O-N 3.33Å; T394-T477 WeakPolarHBondContact OG1-CB 3.23Å; N464-T477 PolarHBondContact ND2-OG1 3.24Å; N464-T477 PolarHBondContact OD1-OG1 3.38Å
478	V	98.7	Very high	97.3	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	115.4	176.4	-178.5	0	0	0	0	108.9	A384 N385 L386 H387 V393 Y424 V476 L480	A384-V478 HydrophobicContact CB-CG2 4.32Å; N385-V478 PolarHBondContact O-N 2.91Å; L386-V478 HydrophobicContact CD2-CB 3.85Å; L386-V478 HydrophobicContact CD2-CG1 4.44Å; L386-V478 HydrophobicContact CD2-CG2 4.15Å; H387-V478 PolarHBondContact N-O 2.97Å; V393-V478 HydrophobicContact CG1-CG2 4.15Å; V393-V478 HydrophobicContact CG2-CG1 4.33Å; V393-V478 HydrophobicContact CG2-CG2 4.41Å; Y424-V478 HydrophobicContact CD1-CG1 3.72Å; Y424-V478 HydrophobicContact CD1-CG2 4.42Å; Y424-V478 HydrophobicContact CD2-CG2 4.12Å; Y424-V478 HydrophobicContact CE1-CG1 3.34Å; Y424-V478 HydrophobicContact CE2-CG1 4.18Å; Y424-V478 HydrophobicContact CE2-CG2 4.27Å; Y424-V478 HydrophobicContact CG-CG1 4.32Å; Y424-V478 HydrophobicContact CG-CG2 4.21Å; V476-V478 HydrophobicContact CG2-CG2 4.25Å; V478-L480 HydrophobicContact CG1-CD2 3.58Å; V478-L480 HydrophobicContact CG1-CG 4.14Å
479	E	98.3	Very high	97	Very high	16 Å²	16	11 Å²	11	8%	0.075	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	110.1	170.5	-61.2	-68.8	165.2	0	0	108.8	H387 G388 E390 V392 M431 W456	H387-E479 VanDerWaalsContact CB-CD 3.43Å; H387-E479 VanDerWaalsContact CB-OE1 3.31Å; H387-E479 WeakPolarHBondContact CB-OE1 3.35Å; H387-E479 VanDerWaalsContact CB-OE2 3.31Å; H387-E479 WeakPolarHBondContact CB-OE2 3.48Å; H387-E479 IonicContact CG-OE1 2.72Å; H387-E479 IonicContact ND1-OE1 2.72Å; G388-E479 VanDerWaalsContact C-OE2 3.28Å; G388-E479 WeakPolarHBondContact CA-OE2 3.32Å; G388-E479 PolarHBondContact N-OE2 2.8Å; E390-E479 HydrophobicContact CB-CB 4.1Å; E390-E479 HydrophobicContact CB-CG 4.26Å; E390-E479 CarbonylContact O-C 3.6Å; E390-E479 VanDerWaalsContact O-C 3.3Å; E390-E479 VanDerWaalsContact O-CB 3.31Å; E390-E479 WeakPolarHBondContact O-CB 3.38Å; V392-E479 HydrophobicContact CG1-CB 4.08Å; V392-E479 HydrophobicContact CG1-CG 3.95Å; V392-E479 PolarHBondContact N-O 2.9Å; V392-E479 WeakPolarHBondContact O-CB 3.27Å; V392-E479 PolarHBondContact O-N 2.96Å; M431-E479 WeakPolarHBondContact CE-O 3.38Å; W456-E479 HydrophobicContact CH2-CG 4.08Å; W456-E479 HydrophobicContact CZ3-CG 4.05Å
480	L	97.7	Very high	96.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-24.4	-163.6	-66.9	167.1	0	0	0	115	L254 G255 L258 L386 H387 L391 Y424 V478 N498	L254-L480 HydrophobicContact CD2-CB 3.76Å; L254-L480 HydrophobicContact CG-CB 4.26Å; L254-L480 HydrophobicContact CG-CD1 4.32Å; G255-L480 VanDerWaalsContact CA-CD1 3.4Å; L258-L480 HydrophobicContact CD1-CD1 3.78Å; L258-L480 HydrophobicContact CD1-CD2 4.03Å; L258-L480 HydrophobicContact CD1-CG 4.46Å; L386-L480 HydrophobicContact CB-CD1 3.81Å; L386-L480 HydrophobicContact CD1-CD1 4.33Å; L386-L480 HydrophobicContact CD2-CD1 4.49Å; L386-L480 HydrophobicContact CD2-CD2 4.46Å; L386-L480 HydrophobicContact CG-CD1 4.43Å; H387-L480 WeakPolarHBondContact O-CB 3.4Å; H387-L480 PolarHBondContact O-N 3.21Å; L391-L480 VanDerWaalsContact CD2-C 3.42Å; L391-L480 WeakPolarHBondContact CD2-O 3.34Å; Y424-L480 HydrophobicContact CE1-CD2 4.31Å; Y424-L480 WeakPolarHBondContact OH-CD2 3.26Å; V478-L480 HydrophobicContact CG1-CD2 3.58Å; V478-L480 HydrophobicContact CG1-CG 4.14Å; L480-N498 VanDerWaalsContact CD2-OD1 3.23Å; L480-N498 WeakPolarHBondContact CD2-OD1 3.34Å
481	S	94.9	Very high	96.8	Very high	6 Å²	6	11 Å²	11	4%	0.042	7%	0.065	C	C	.	.			trans	-161.6	148.3	-171.6	53.7	0	0	0	0	111.7	L254 G389 E390 D483	L254-S481 WeakPolarHBondContact CD2-OG 3.42Å; G389-S481 CarbonylContact C-O 3.52Å; G389-S481 WeakPolarHBondContact CA-O 3.23Å; G389-S481 PolarHBondContact N-O 3.04Å; E390-S481 PolarHBondContact N-O 2.83Å; E390-S481 CarbonylContact O-C 3.45Å; E390-S481 VanDerWaalsContact O-C 3.29Å; E390-S481 PolarHBondContact O-N 2.95Å; E390-S481 VanDerWaalsContact O-O 3.08Å; S481-D483 WeakPolarHBondContact CB-O 3.47Å; S481-D483 PolarHBondContact OG-O 2.93Å
482	C	94.8	Very high	96.7	Very high	6 Å²	6	11.8 Å²	11.8	4%	0.041	7%	0.07	C	C	.	.	S	Bend	trans	-67.1	-39	172.5	-51.2	0	0	0	0	112.2	L10 L391 C439	L10-C482 HydrophobicContact CD1-CB 4.4Å; L10-C482 WeakPolarHBondContact CD1-SG 3.2Å; L10-C482 HydrophobicContact CD2-CB 4.19Å; L10-C482 HydrophobicContact CG-CB 4.27Å; L391-C482 VanDerWaalsContact CD1-SG 3.57Å; C439-C482 VanDerWaalsContact CA-SG 3.58Å; C439-C482 HydrophobicContact CB-CB 3.55Å; C439-C482 WeakPolarHBondContact CB-SG 3.26Å; C439-C482 VanDerWaalsContact SG-CA 3.56Å; C439-C482 WeakPolarHBondContact SG-CB 3.32Å; C439-C482 CovalentContact SG-SG 2.03Å; C439-C482 PolarHBondContact SG-SG 2.83Å
483	D	96.4	Very high	96.5	Very high	14 Å²	14	13.7 Å²	13.7	8%	0.075	8%	0.08	C	C	.	.	S	Bend	trans	-79.2	121.3	172	-173.3	-21.5	0	0	0	108.4	E8 S481 F485 P486	E8-D483 HydrophobicContact CG-CB 3.98Å; S481-D483 WeakPolarHBondContact CB-O 3.47Å; S481-D483 PolarHBondContact OG-O 2.93Å; D483-F485 VanDerWaalsContact C-N 3.3Å; D483-F485 WeakPolarHBondContact OD1-CA 3.27Å; D483-F485 PolarHBondContact OD1-N 3.44Å; D483-P486 HydrophobicContact CB-CB 4.38Å; D483-P486 WeakPolarHBondContact OD2-CA 3.45Å
484	K	97.3	Very high	96.4	Very high	11 Å²	11	15 Å²	15	5%	0.048	9%	0.086	C	C	.	.	S	Bend	trans	-69.3	-33.1	179.6	-68.1	-167.9	169.1	-165.2	0	111.9	N251 E252 V253 W310 G388	N251-K484 CarbonylContact O-C 3.52Å; N251-K484 VanDerWaalsContact O-C 3.29Å; N251-K484 WeakPolarHBondContact O-CB 3.25Å; E252-K484 CarbonylContact C-O 3.55Å; E252-K484 WeakPolarHBondContact CA-O 3.45Å; E252-K484 HydrophobicContact CG-CB 4.2Å; E252-K484 HydrophobicContact CG-CD 3.87Å; E252-K484 HydrophobicContact CG-CG 4.09Å; E252-K484 IonicContact OE1-NZ 2.91Å; E252-K484 PolarHBondContact OE1-NZ 3.3Å; E252-K484 VanDerWaalsContact OE1-NZ 3.15Å; V253-K484 PolarHBondContact N-O 3.31Å; W310-K484 HydrophobicContact CD2-CD 4.09Å; W310-K484 VanDerWaalsContact CE2-CE 3.45Å; W310-K484 HydrophobicContact CE3-CD 3.95Å; W310-K484 HydrophobicContact CE3-CG 4.21Å; W310-K484 HydrophobicContact CH2-CD 4.3Å; W310-K484 HydrophobicContact CH2-CG 4.24Å; W310-K484 HydrophobicContact CZ2-CD 4.43Å; W310-K484 HydrophobicContact CZ3-CD 4.07Å; W310-K484 HydrophobicContact CZ3-CG 3.92Å; G388-K484 WeakPolarHBondContact O-CE 3.49Å
485	F	97.6	Very high	96.4	Very high	6 Å²	6	14.9 Å²	14.9	3%	0.026	9%	0.086	C	C	.	.	S	Bend	trans	-131.5	69.1	-176.5	-160.6	158.5	0	0	0	109.3	H188 V253 A300 S305 A308 D483 H487	H188-F485 HydrophobicContact CB-CE2 4.48Å; H188-F485 AromaticContact CD2-CE2 3.69Å; H188-F485 AromaticContact CE1-CD2 3.93Å; H188-F485 AromaticContact CE1-CE2 3.61Å; H188-F485 AromaticContact CG-CE2 3.68Å; H188-F485 AromaticContact ND1-CE2 3.64Å; H188-F485 AromaticContact NE2-CE2 3.66Å; V253-F485 HydrophobicContact CB-CD2 3.75Å; V253-F485 HydrophobicContact CB-CE2 4.07Å; V253-F485 HydrophobicContact CB-CG 4Å; V253-F485 HydrophobicContact CG1-CD2 3.96Å; V253-F485 HydrophobicContact CG1-CE2 3.83Å; V253-F485 HydrophobicContact CG1-CZ 4.4Å; V253-F485 HydrophobicContact CG2-CB 4.15Å; V253-F485 HydrophobicContact CG2-CD1 3.53Å; V253-F485 HydrophobicContact CG2-CD2 3.61Å; V253-F485 HydrophobicContact CG2-CE1 3.72Å; V253-F485 HydrophobicContact CG2-CE2 3.81Å; V253-F485 HydrophobicContact CG2-CG 3.47Å; V253-F485 VanDerWaalsContact CG2-CG 3.47Å; V253-F485 HydrophobicContact CG2-CZ 3.86Å; A300-F485 HydrophobicContact CB-CD1 4.15Å; A300-F485 HydrophobicContact CB-CE1 3.94Å; S305-F485 WeakPolarHBondContact CA-O 3.4Å; S305-F485 WeakPolarHBondContact CB-O 3.44Å; A308-F485 HydrophobicContact CB-CD1 4.2Å; D483-F485 VanDerWaalsContact C-N 3.3Å; D483-F485 WeakPolarHBondContact OD1-CA 3.27Å; D483-F485 PolarHBondContact OD1-N 3.44Å; F485-H487 PolarHBondContact O-N 3.21Å
486	P	97	Very high	96.4	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.013	9%	0.092	C	C	.	.			trans	-60.5	140.8	-177.7	26.5	-34.4	0	0	0	110.9	H188 L254 D483 E490	H188-P486 PolarHBondContact CE1-O 3.27Å; H188-P486 PolarHBondContact NE2-O 2.89Å; L254-P486 HydrophobicContact CB-CG 4.11Å; L254-P486 HydrophobicContact CD1-CG 4.39Å; D483-P486 HydrophobicContact CB-CB 4.38Å; D483-P486 WeakPolarHBondContact OD2-CA 3.45Å; P486-E490 HydrophobicContact CB-CB 4.48Å
487	H	96.4	Very high	96.3	Very high	47 Å²	47	16.6 Å²	16.6	22%	0.218	9%	0.094	C	C	.	.			trans	-58.3	148.4	179.7	-178.6	-98.2	0	0	0	112	P4 E306 F485 S489 E490	P4-H487 HydrophobicContact CG-CB 3.61Å; E306-H487 WeakPolarHBondContact OE1-CB 3.37Å; E306-H487 IonicContact OE1-CD2 3.11Å; E306-H487 PolarHBondContact OE1-CD2 3.19Å; E306-H487 IonicContact OE1-CG 3.9Å; F485-H487 PolarHBondContact O-N 3.21Å; H487-S489 WeakPolarHBondContact ND1-CB 3.44Å; H487-S489 PolarHBondContact ND1-N 3.01Å; H487-S489 PolarHBondContact ND1-OG 3.04Å; H487-S489 PolarHBondContact O-N 2.77Å; H487-E490 WeakPolarHBondContact O-CB 3.46Å; H487-E490 PolarHBondContact O-N 2.91Å
488	A	95.3	Very high	96.3	Very high	29 Å²	29	16.5 Å²	16.5	24%	0.24	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-54.2	-29.9	-174.9	0	0	0	0	0	114.5	H188 E490 L491	H188-A488 PolarHBondContact NE2-N 2.98Å; H188-A488 VanDerWaalsContact NE2-N 3.13Å; A488-E490 PolarHBondContact O-N 3.48Å; A488-L491 HydrophobicContact CB-CD1 4.46Å; A488-L491 PolarHBondContact O-N 2.85Å
489	S	92.5	Very high	96.2	Very high	53 Å²	53	18.7 Å²	18.7	37%	0.371	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	-67.1	-15.3	176.3	63.9	0	0	0	0	114.2	H487	H487-S489 WeakPolarHBondContact ND1-CB 3.44Å; H487-S489 PolarHBondContact ND1-N 3.01Å; H487-S489 PolarHBondContact ND1-OG 3.04Å; H487-S489 PolarHBondContact O-N 2.77Å
490	E	93.9	Very high	96.2	Very high	3 Å²	3	21.3 Å²	21.3	1%	0.014	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-96.3	-16.8	-178.4	-50.3	-163.1	180	0	0	112	S9 R11 P486 H487 A488 P492 I493 E494	S9-E490 WeakPolarHBondContact CB-OE2 3.3Å; S9-E490 PolarHBondContact OG-OE1 3Å; S9-E490 PolarHBondContact OG-OE2 2.91Å; R11-E490 WeakPolarHBondContact CD-OE1 3.4Å; R11-E490 IonicContact CZ-OE1 2.91Å; R11-E490 IonicContact NH1-OE1 2.76Å; R11-E490 PolarHBondContact NH1-OE1 3.01Å; P486-E490 HydrophobicContact CB-CB 4.48Å; H487-E490 WeakPolarHBondContact O-CB 3.46Å; H487-E490 PolarHBondContact O-N 2.91Å; A488-E490 PolarHBondContact O-N 3.48Å; E490-P492 VanDerWaalsContact C-CD 3.43Å; E490-I493 WeakPolarHBondContact O-CG2 3.23Å; E490-I493 PolarHBondContact O-N 2.94Å; E490-I493 VanDerWaalsContact O-N 3.14Å; E490-E494 PolarHBondContact O-N 3.22Å
491	L	96.6	Very high	96.2	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-54.6	-39.7	179.7	-61.3	176.7	0	0	0	114.4	F186 K187 L254 E257 A488 I493 E494 W495	F186-L491 HydrophobicContact CB-CB 4.3Å; F186-L491 HydrophobicContact CD1-CB 4.11Å; K187-L491 VanDerWaalsContact C-CD1 3.46Å; L254-L491 HydrophobicContact CD1-CD2 4.18Å; E257-L491 HydrophobicContact CB-CD2 4.18Å; E257-L491 HydrophobicContact CG-CD1 4.34Å; E257-L491 HydrophobicContact CG-CD2 4.28Å; A488-L491 HydrophobicContact CB-CD1 4.46Å; A488-L491 PolarHBondContact O-N 2.85Å; L491-I493 PolarHBondContact O-N 2.77Å; L491-E494 PolarHBondContact O-N 2.75Å; L491-W495 WeakPolarHBondContact O-CB 3.3Å; L491-W495 PolarHBondContact O-N 2.82Å
492	P	95.7	Very high	96.4	Very high	25 Å²	25	21 Å²	21	16%	0.162	11%	0.112	C	C	.	.	H	α-helix	trans	-62.3	-39.8	178.2	-22.9	33.4	0	0	0	113.6	F186 E490 E496	F186-P492 HydrophobicContact CB-CG 3.95Å; F186-P492 HydrophobicContact CD1-CG 4.3Å; F186-P492 HydrophobicContact CD2-CB 4.14Å; F186-P492 HydrophobicContact CD2-CG 3.87Å; F186-P492 HydrophobicContact CE2-CB 4.21Å; F186-P492 HydrophobicContact CE2-CG 4.44Å; F186-P492 HydrophobicContact CG-CB 4.29Å; F186-P492 HydrophobicContact CG-CG 3.78Å; F186-P492 HydrophobicContact CZ-CB 4.43Å; E490-P492 VanDerWaalsContact C-CD 3.43Å; P492-E496 PolarHBondContact O-N 3.42Å
493	I	93.8	Very high	96.6	Very high	61 Å²	61	20.8 Å²	20.8	31%	0.313	11%	0.11	S	C	.	.	H	α-helix	trans	-75.5	-36.9	178.6	-173.4	62.3	0	0	0	110.8	E490 L491 W495 E496 N497	E490-I493 WeakPolarHBondContact O-CG2 3.23Å; E490-I493 PolarHBondContact O-N 2.94Å; E490-I493 VanDerWaalsContact O-N 3.14Å; L491-I493 PolarHBondContact O-N 2.77Å; I493-W495 VanDerWaalsContact C-N 3.27Å; I493-W495 PolarHBondContact O-N 2.94Å; I493-E496 PolarHBondContact O-N 3.05Å; I493-E496 VanDerWaalsContact O-N 3.13Å; I493-N497 PolarHBondContact O-N 3.12Å; I493-N497 PolarHBondContact O-ND2 3.18Å; I493-N497 PolarHBondContact O-OD1 3.28Å
494	E	96.4	Very high	96.7	Very high	28 Å²	28	21.3 Å²	21.3	13%	0.131	11%	0.114	C	C	.	.	H	α-helix	trans	-64.9	-32.3	175.3	-67.3	-55	155.9	0	0	112.9	L254 E490 L491 N497 N498	L254-E494 HydrophobicContact CD1-CB 3.54Å; L254-E494 HydrophobicContact CD1-CG 4.06Å; L254-E494 HydrophobicContact CD2-CB 4.02Å; L254-E494 HydrophobicContact CD2-CG 4.02Å; L254-E494 HydrophobicContact CG-CB 4.44Å; E490-E494 PolarHBondContact O-N 3.22Å; L491-E494 PolarHBondContact O-N 2.75Å; E494-N497 PolarHBondContact O-N 3.17Å; E494-N497 PolarHBondContact OE2-ND2 3.21Å; E494-N497 VanDerWaalsContact OE2-ND2 3.13Å; E494-N498 PolarHBondContact O-N 3.13Å; E494-N498 PolarHBondContact O-ND2 2.87Å
495	W	97.8	Very high	96.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.9	-49.4	168.7	170.2	-106.7	0	0	0	111.9	D182 L184 F186 L258 N261 L262 Y265 L491 I493 N497 N498 R499 L502	D182-W495 PolarHBondContact OD2-NE1 3.24Å; L184-W495 HydrophobicContact CD1-CD2 4.05Å; L184-W495 HydrophobicContact CD1-CG 4.41Å; L184-W495 HydrophobicContact CD1-CZ2 3.84Å; F186-W495 HydrophobicContact CE1-CB 3.63Å; F186-W495 AromaticContact CE1-CG 3.9Å; F186-W495 HydrophobicContact CE1-CG 3.9Å; F186-W495 HydrophobicContact CZ-CB 4.1Å; F186-W495 AromaticContact CZ-CD1 3.86Å; F186-W495 HydrophobicContact CZ-CG 4.03Å; L258-W495 HydrophobicContact CD2-CB 4.33Å; L258-W495 HydrophobicContact CD2-CE3 3.89Å; N261-W495 HydrophobicContact CB-CD2 4.17Å; N261-W495 HydrophobicContact CB-CE3 3.65Å; N261-W495 HydrophobicContact CB-CZ3 3.84Å; L262-W495 HydrophobicContact CB-CH2 4.28Å; L262-W495 HydrophobicContact CB-CZ3 4.16Å; L262-W495 HydrophobicContact CD1-CH2 4.2Å; Y265-W495 HydrophobicContact CD1-CH2 4.37Å; Y265-W495 HydrophobicContact CD1-CZ2 4.25Å; Y265-W495 AromaticContact CD2-CZ2 3.82Å; Y265-W495 HydrophobicContact CD2-CZ2 3.82Å; Y265-W495 HydrophobicContact CG-CH2 4.06Å; Y265-W495 AromaticContact CG-CZ2 3.66Å; Y265-W495 HydrophobicContact CG-CZ2 3.66Å; L491-W495 WeakPolarHBondContact O-CB 3.3Å; L491-W495 PolarHBondContact O-N 2.82Å; I493-W495 VanDerWaalsContact C-N 3.27Å; I493-W495 PolarHBondContact O-N 2.94Å; W495-N497 PolarHBondContact O-N 3.16Å; W495-N498 PolarHBondContact O-N 3.22Å; W495-N498 VanDerWaalsContact O-N 3.12Å; W495-R499 HydrophobicContact CD2-CB 4.18Å; W495-R499 HydrophobicContact CH2-CB 4.22Å; W495-R499 HydrophobicContact CH2-CG 3.92Å; W495-R499 HydrophobicContact CZ2-CB 3.86Å; W495-R499 HydrophobicContact CZ2-CG 3.44Å; W495-R499 VanDerWaalsContact CZ2-CG 3.44Å; W495-R499 VanDerWaalsContact O-CB 3.31Å; W495-R499 WeakPolarHBondContact O-CB 3.48Å; W495-R499 PolarHBondContact O-N 2.97Å; W495-L502 HydrophobicContact CZ3-CD1 4.26Å
496	E	96.4	Very high	96.8	Very high	27 Å²	27	20.5 Å²	20.5	13%	0.126	11%	0.11	C	C	.	.	H	α-helix	trans	-62.8	-32.7	178	-66.2	-64.6	157.8	0	0	112.4	S180 R181 Q429 P492 I493 N498 R499	S180-E496 WeakPolarHBondContact CA-OE1 3.45Å; S180-E496 WeakPolarHBondContact CB-OE1 3.41Å; S180-E496 PolarHBondContact OG-OE1 3.07Å; R181-E496 PolarHBondContact N-OE1 3.04Å; Q429-E496 PolarHBondContact NE2-O 2.97Å; P492-E496 PolarHBondContact O-N 3.42Å; I493-E496 PolarHBondContact O-N 3.05Å; I493-E496 VanDerWaalsContact O-N 3.13Å; E496-N498 VanDerWaalsContact C-N 3.3Å; E496-N498 PolarHBondContact O-N 3.21Å; E496-R499 IonicContact OE1-NH1 2.7Å; E496-R499 PolarHBondContact OE1-NH1 2.84Å; E496-R499 IonicContact OE2-CZ 3.5Å; E496-R499 IonicContact OE2-NH1 3.91Å; E496-R499 PolarHBondContact OE2-NH1 3.32Å; E496-R499 IonicContact OE2-NH2 3.26Å; E496-R499 PolarHBondContact OE2-NH2 3.43Å
497	N	95.9	Very high	96.8	Very high	10 Å²	10	22.8 Å²	22.8	5%	0.053	12%	0.121	C	C	.	.	H	α-helix	trans	-64.8	-32.4	175.6	-67.1	-25.2	0	0	0	112.9	N428 Q429 V430 I493 E494 W495	N428-N497 WeakPolarHBondContact CA-O 3.49Å; N428-N497 PolarHBondContact ND2-O 2.82Å; Q429-N497 PolarHBondContact N-O 2.99Å; V430-N497 HydrophobicContact CG2-CB 4.36Å; V430-N497 WeakPolarHBondContact CG2-ND2 3.47Å; I493-N497 PolarHBondContact O-N 3.12Å; I493-N497 PolarHBondContact O-ND2 3.18Å; I493-N497 PolarHBondContact O-OD1 3.28Å; E494-N497 PolarHBondContact O-N 3.17Å; E494-N497 PolarHBondContact OE2-ND2 3.21Å; E494-N497 VanDerWaalsContact OE2-ND2 3.13Å; W495-N497 PolarHBondContact O-N 3.16Å
498	N	98.3	Very high	96.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-113.1	-21.4	-169.3	-74.2	-79.3	0	0	0	115	L258 Y424 N428 L480 E494 W495 E496 E500 S501 L502	L258-N498 HydrophobicContact CD1-CB 3.74Å; L258-N498 HydrophobicContact CD2-CB 4.19Å; Y424-N498 PolarHBondContact OH-OD1 3.3Å; N428-N498 PolarHBondContact ND2-OD1 3.49Å; L480-N498 VanDerWaalsContact CD2-OD1 3.23Å; L480-N498 WeakPolarHBondContact CD2-OD1 3.34Å; E494-N498 PolarHBondContact O-N 3.13Å; E494-N498 PolarHBondContact O-ND2 2.87Å; W495-N498 PolarHBondContact O-N 3.22Å; W495-N498 VanDerWaalsContact O-N 3.12Å; E496-N498 VanDerWaalsContact C-N 3.3Å; E496-N498 PolarHBondContact O-N 3.21Å; N498-E500 VanDerWaalsContact C-N 3.3Å; N498-E500 PolarHBondContact O-N 3.3Å; N498-S501 WeakPolarHBondContact O-CB 3.41Å; N498-S501 PolarHBondContact O-N 3.28Å; N498-L502 HydrophobicContact CB-CD1 4.38Å; N498-L502 WeakPolarHBondContact O-CG 3Å; N498-L502 PolarHBondContact O-N 2.75Å
499	R	97.8	Very high	96.9	Very high	46 Å²	46	19.7 Å²	19.7	17%	0.174	10%	0.102	C	C	.	.	H	α-helix	trans	-50.3	-49.9	-174.3	177.7	-175.7	69.6	-136.1	-20.7	111.8	D182 W495 E496 L503	D182-R499 IonicContact OD1-NH1 3.01Å; D182-R499 WeakPolarHBondContact OD2-CD 3.28Å; D182-R499 IonicContact OD2-CZ 3.93Å; D182-R499 IonicContact OD2-NE 3.95Å; D182-R499 IonicContact OD2-NH1 2.94Å; D182-R499 PolarHBondContact OD2-NH1 2.62Å; W495-R499 HydrophobicContact CD2-CB 4.18Å; W495-R499 HydrophobicContact CH2-CB 4.22Å; W495-R499 HydrophobicContact CH2-CG 3.92Å; W495-R499 HydrophobicContact CZ2-CB 3.86Å; W495-R499 HydrophobicContact CZ2-CG 3.44Å; W495-R499 VanDerWaalsContact CZ2-CG 3.44Å; W495-R499 VanDerWaalsContact O-CB 3.31Å; W495-R499 WeakPolarHBondContact O-CB 3.48Å; W495-R499 PolarHBondContact O-N 2.97Å; E496-R499 IonicContact OE1-NH1 2.7Å; E496-R499 PolarHBondContact OE1-NH1 2.84Å; E496-R499 IonicContact OE2-CZ 3.5Å; E496-R499 IonicContact OE2-NH1 3.91Å; E496-R499 PolarHBondContact OE2-NH1 3.32Å; E496-R499 IonicContact OE2-NH2 3.26Å; E496-R499 PolarHBondContact OE2-NH2 3.43Å; R499-L503 WeakPolarHBondContact O-CG 3.35Å; R499-L503 PolarHBondContact O-N 2.83Å
500	E	97.9	Very high	97.1	Very high	72 Å²	72	17.5 Å²	17.5	34%	0.336	9%	0.085	S	C	.	.	H	α-helix	trans	-67.3	-41.6	-178.5	-172.3	57.3	-149.7	0	0	111.6	R276 N498 L502 L503 V504	R276-E500 IonicContact CZ-OE1 3.7Å; R276-E500 VanDerWaalsContact CZ-OE1 3.27Å; R276-E500 IonicContact CZ-OE2 2.74Å; R276-E500 IonicContact NH1-OE1 2.85Å; R276-E500 PolarHBondContact NH1-OE1 3.32Å; R276-E500 IonicContact NH1-OE2 3.97Å; R276-E500 PolarHBondContact NH1-OE2 3.05Å; R276-E500 IonicContact NH2-OE1 2.77Å; R276-E500 PolarHBondContact NH2-OE1 2.74Å; N498-E500 VanDerWaalsContact C-N 3.3Å; N498-E500 PolarHBondContact O-N 3.3Å; E500-L502 PolarHBondContact O-N 3.06Å; E500-L503 PolarHBondContact O-N 2.88Å; E500-V504 HydrophobicContact CG-CG2 4.15Å; E500-V504 WeakPolarHBondContact O-CB 3.25Å; E500-V504 WeakPolarHBondContact O-CG2 3.45Å; E500-V504 PolarHBondContact O-N 2.9Å; E500-V504 WeakPolarHBondContact OE1-CG2 3.49Å
501	S	98.5	Very high	97.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.8	-40.8	177.8	-57.4	0	0	0	0	113.3	Y424 T427 N428 N498 L503 Y505	Y424-S501 PolarHBondContact O-OG 2.95Å; T427-S501 VanDerWaalsContact OG1-CA 3.28Å; T427-S501 WeakPolarHBondContact OG1-CA 3.36Å; T427-S501 WeakPolarHBondContact OG1-CB 3.1Å; T427-S501 PolarHBondContact OG1-OG 3.28Å; N428-S501 VanDerWaalsContact CA-OG 3.23Å; N428-S501 WeakPolarHBondContact CA-OG 3.45Å; N428-S501 WeakPolarHBondContact CB-OG 3.29Å; N428-S501 PolarHBondContact N-OG 3.21Å; N498-S501 WeakPolarHBondContact O-CB 3.41Å; N498-S501 PolarHBondContact O-N 3.28Å; S501-L503 VanDerWaalsContact C-N 3.34Å; S501-L503 PolarHBondContact O-N 3Å; S501-Y505 WeakPolarHBondContact O-CB 3.36Å; S501-Y505 PolarHBondContact O-N 3.03Å
502	L	98.8	Very high	97.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.1	-43.9	176.1	-70.1	165.8	0	0	0	111.2	Y244 L258 L386 Y424 W495 N498 E500 M506	Y244-L502 HydrophobicContact CD2-CD2 4.28Å; Y244-L502 HydrophobicContact CE1-CD2 4.31Å; Y244-L502 HydrophobicContact CE2-CB 4.32Å; Y244-L502 HydrophobicContact CE2-CD2 3.67Å; Y244-L502 WeakPolarHBondContact OH-CA 3.39Å; Y244-L502 PolarHBondContact OH-O 3.08Å; Y244-L502 VanDerWaalsContact OH-O 3.07Å; L258-L502 HydrophobicContact CB-CD1 4.3Å; L386-L502 HydrophobicContact CD1-CD2 4.24Å; Y424-L502 HydrophobicContact CE2-CD2 4.06Å; Y424-L502 HydrophobicContact CE2-CG 4.36Å; W495-L502 HydrophobicContact CZ3-CD1 4.26Å; N498-L502 HydrophobicContact CB-CD1 4.38Å; N498-L502 WeakPolarHBondContact O-CG 3Å; N498-L502 PolarHBondContact O-N 2.75Å; E500-L502 PolarHBondContact O-N 3.06Å; L502-M506 WeakPolarHBondContact O-CE 3.3Å; L502-M506 WeakPolarHBondContact O-CG 3.38Å; L502-M506 PolarHBondContact O-N 2.92Å; L502-M506 VanDerWaalsContact O-N 3.15Å
503	L	98.6	Very high	97.2	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-69.6	-49	178.8	-63	176.2	0	0	0	111.8	L262 Y265 I277 L280 R499 E500 S501 Y505 M506 E507	L262-L503 HydrophobicContact CD1-CD2 4.2Å; Y265-L503 HydrophobicContact CE1-CD1 3.95Å; I277-L503 HydrophobicContact CD1-CD1 4.25Å; I277-L503 HydrophobicContact CD1-CD2 3.74Å; L280-L503 HydrophobicContact CD2-CD2 4.47Å; R499-L503 WeakPolarHBondContact O-CG 3.35Å; R499-L503 PolarHBondContact O-N 2.83Å; E500-L503 PolarHBondContact O-N 2.88Å; S501-L503 VanDerWaalsContact C-N 3.34Å; S501-L503 PolarHBondContact O-N 3Å; L503-Y505 VanDerWaalsContact C-N 3.29Å; L503-Y505 PolarHBondContact O-N 3.42Å; L503-M506 HydrophobicContact CD2-CE 3.74Å; L503-M506 PolarHBondContact O-N 2.86Å; L503-E507 VanDerWaalsContact O-CG 3.27Å; L503-E507 WeakPolarHBondContact O-CG 3.42Å; L503-E507 PolarHBondContact O-N 3.34Å
504	V	97.9	Very high	97.3	Very high	24 Å²	24	16.3 Å²	16.3	15%	0.145	8%	0.075	C	C	.	.	H	α-helix	trans	-61.8	-39	-179.4	170.9	0	0	0	0	111.4	A423 T427 E500 E507 Q508	A423-V504 HydrophobicContact CB-CG1 4.47Å; T427-V504 HydrophobicContact CG2-CB 4.38Å; T427-V504 HydrophobicContact CG2-CG1 4.17Å; T427-V504 HydrophobicContact CG2-CG2 4.26Å; E500-V504 HydrophobicContact CG-CG2 4.15Å; E500-V504 WeakPolarHBondContact O-CB 3.25Å; E500-V504 WeakPolarHBondContact O-CG2 3.45Å; E500-V504 PolarHBondContact O-N 2.9Å; E500-V504 WeakPolarHBondContact OE1-CG2 3.49Å; V504-E507 PolarHBondContact O-N 2.84Å; V504-Q508 WeakPolarHBondContact O-CG 3.03Å; V504-Q508 PolarHBondContact O-N 3.33Å; V504-Q508 PolarHBondContact O-NE2 3.13Å
505	Y	98.5	Very high	97.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-66.3	-45.3	176.7	-178	-85	0	0	0	111.8	F242 Y244 L382 G383 A384 L420 Y424 V476 S501 L503 E507 Q508	F242-Y505 AromaticContact CE2-CD1 3.91Å; F242-Y505 HydrophobicContact CE2-CD1 3.91Å; F242-Y505 AromaticContact CE2-CE1 3.83Å; F242-Y505 HydrophobicContact CE2-CE1 3.83Å; F242-Y505 AromaticContact CZ-CD1 3.96Å; F242-Y505 HydrophobicContact CZ-CD1 3.96Å; F242-Y505 HydrophobicContact CZ-CE1 4.04Å; Y244-Y505 AromaticContact CE1-CD1 3.83Å; Y244-Y505 HydrophobicContact CE1-CD1 3.83Å; Y244-Y505 HydrophobicContact CE1-CE1 4.13Å; Y244-Y505 AromaticContact CZ-CD1 3.8Å; Y244-Y505 WeakPolarHBondContact OH-CB 3.44Å; Y244-Y505 WeakPolarHBondContact OH-CD1 3.28Å; L382-Y505 HydrophobicContact CD1-CE1 4.3Å; L382-Y505 WeakPolarHBondContact CD1-OH 3.36Å; L382-Y505 HydrophobicContact CD2-CE1 4.16Å; L382-Y505 HydrophobicContact CG-CE1 4.07Å; G383-Y505 PolarHBondContact O-OH 3.28Å; A384-Y505 HydrophobicContact CB-CD1 4.48Å; A384-Y505 HydrophobicContact CB-CE1 3.74Å; L420-Y505 HydrophobicContact CB-CE2 4.17Å; Y424-Y505 HydrophobicContact CD2-CD2 4.26Å; Y424-Y505 HydrophobicContact CD2-CG 4.15Å; V476-Y505 HydrophobicContact CG2-CE2 3.64Å; V476-Y505 VanDerWaalsContact CG2-OH 3.28Å; V476-Y505 WeakPolarHBondContact CG2-OH 3.38Å; S501-Y505 WeakPolarHBondContact O-CB 3.36Å; S501-Y505 PolarHBondContact O-N 3.03Å; L503-Y505 VanDerWaalsContact C-N 3.29Å; L503-Y505 PolarHBondContact O-N 3.42Å; Y505-E507 VanDerWaalsContact C-N 3.27Å; Y505-E507 PolarHBondContact O-N 2.91Å; Y505-Q508 VanDerWaalsContact O-CB 3.31Å; Y505-Q508 WeakPolarHBondContact O-CB 3.41Å; Y505-Q508 WeakPolarHBondContact O-CG 3.18Å; Y505-Q508 PolarHBondContact O-N 3.13Å
506	M	98.2	Very high	97.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-55.9	-43.5	174	-82.3	-171.7	-65	0	0	111.8	F242 Y244 L262 M266 L280 I286 L502 L503 Q508 I509	F242-M506 HydrophobicContact CD1-CG 3.75Å; F242-M506 HydrophobicContact CD1-SD 4.01Å; F242-M506 HydrophobicContact CD2-CG 4.15Å; F242-M506 HydrophobicContact CE1-CG 3.34Å; F242-M506 HydrophobicContact CE1-SD 3.83Å; F242-M506 HydrophobicContact CE2-CB 4.34Å; F242-M506 HydrophobicContact CE2-CG 3.77Å; F242-M506 HydrophobicContact CG-CG 4.16Å; F242-M506 HydrophobicContact CZ-CB 4.37Å; F242-M506 HydrophobicContact CZ-CG 3.36Å; F242-M506 HydrophobicContact CZ-SD 4.43Å; Y244-M506 HydrophobicContact CD2-CG 4.45Å; Y244-M506 HydrophobicContact CD2-SD 4.34Å; Y244-M506 HydrophobicContact CE2-CE 4.35Å; Y244-M506 HydrophobicContact CE2-CG 3.69Å; Y244-M506 HydrophobicContact CE2-SD 3.95Å; L262-M506 HydrophobicContact CD1-CE 4.2Å; L262-M506 HydrophobicContact CD2-CE 3.94Å; L262-M506 HydrophobicContact CD2-SD 4.48Å; M266-M506 HydrophobicContact SD-CE 4.45Å; L280-M506 HydrophobicContact CD1-CB 4.46Å; L280-M506 HydrophobicContact CD2-CB 4.31Å; L280-M506 HydrophobicContact CD2-CE 4.01Å; L280-M506 HydrophobicContact CD2-SD 4.4Å; I286-M506 HydrophobicContact CD1-SD 4.34Å; I286-M506 HydrophobicContact CG2-SD 4.08Å; L502-M506 WeakPolarHBondContact O-CE 3.3Å; L502-M506 WeakPolarHBondContact O-CG 3.38Å; L502-M506 PolarHBondContact O-N 2.92Å; L502-M506 VanDerWaalsContact O-N 3.15Å; L503-M506 HydrophobicContact CD2-CE 3.74Å; L503-M506 PolarHBondContact O-N 2.86Å; M506-Q508 PolarHBondContact O-N 3.38Å; M506-Q508 VanDerWaalsContact O-N 3.11Å; M506-I509 WeakPolarHBondContact O-CB 3.29Å; M506-I509 WeakPolarHBondContact O-CG2 3.18Å; M506-I509 PolarHBondContact O-N 2.84Å; M506-I509 VanDerWaalsContact O-N 3.1Å
507	E	97.5	Very high	97.5	Very high	50 Å²	50	14.7 Å²	14.7	23%	0.234	7%	0.071	C	C	.	.	H	α-helix	trans	-61.2	-20.5	178.7	-71	167.3	162.3	0	0	113.3	R276 L280 L503 V504 Y505 I509 H510	R276-E507 WeakPolarHBondContact CG-OE1 3.22Å; R276-E507 IonicContact CZ-OE1 3.67Å; R276-E507 IonicContact CZ-OE2 3.55Å; R276-E507 IonicContact NE-OE1 3.7Å; R276-E507 PolarHBondContact NE-OE1 2.86Å; R276-E507 IonicContact NE-OE2 3.17Å; R276-E507 IonicContact NH2-OE1 3.88Å; R276-E507 PolarHBondContact NH2-OE1 2.89Å; R276-E507 IonicContact NH2-OE2 3.53Å; R276-E507 PolarHBondContact NH2-OE2 2.95Å; L280-E507 HydrophobicContact CD1-CG 4.24Å; L503-E507 VanDerWaalsContact O-CG 3.27Å; L503-E507 WeakPolarHBondContact O-CG 3.42Å; L503-E507 PolarHBondContact O-N 3.34Å; V504-E507 PolarHBondContact O-N 2.84Å; Y505-E507 VanDerWaalsContact C-N 3.27Å; Y505-E507 PolarHBondContact O-N 2.91Å; E507-I509 PolarHBondContact O-N 2.03Å; E507-H510 PolarHBondContact O-N 3.4Å
508	Q	97.1	Very high	97.6	Very high	9 Å²	9	18 Å²	18	4%	0.042	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-66.6	-16.2	176.5	-55.2	-48.6	-68.3	0	0	113.1	L382 L420 A423 V504 Y505 M506 H510 R511	L382-Q508 HydrophobicContact CD2-CB 4.09Å; L420-Q508 HydrophobicContact CD2-CB 3.63Å; L420-Q508 HydrophobicContact CD2-CG 4.07Å; A423-Q508 HydrophobicContact CB-CG 4.05Å; V504-Q508 WeakPolarHBondContact O-CG 3.03Å; V504-Q508 PolarHBondContact O-N 3.33Å; V504-Q508 PolarHBondContact O-NE2 3.13Å; Y505-Q508 VanDerWaalsContact O-CB 3.31Å; Y505-Q508 WeakPolarHBondContact O-CB 3.41Å; Y505-Q508 WeakPolarHBondContact O-CG 3.18Å; Y505-Q508 PolarHBondContact O-N 3.13Å; M506-Q508 PolarHBondContact O-N 3.38Å; M506-Q508 VanDerWaalsContact O-N 3.11Å; Q508-H510 PolarHBondContact O-N 2.88Å; Q508-H510 VanDerWaalsContact O-N 3.16Å; Q508-R511 WeakPolarHBondContact O-CB 3.06Å; Q508-R511 PolarHBondContact O-N 3.17Å; Q508-R511 VanDerWaalsContact O-N 3.11Å
509	I	97.4	Very high	97.5	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.015	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-62.4	-20.8	175.8	-158.9	168.6	0	0	0	112.5	P240 E241 F242 T284 A381 L382 M506 E507 R511	P240-I509 HydrophobicContact CB-CD1 3.63Å; P240-I509 HydrophobicContact CB-CG1 3.75Å; P240-I509 HydrophobicContact CG-CD1 4.1Å; P240-I509 HydrophobicContact CG-CG1 4.05Å; P240-I509 HydrophobicContact CG-CG2 4.18Å; E241-I509 WeakPolarHBondContact O-CD1 3.04Å; F242-I509 HydrophobicContact CB-CD1 3.64Å; F242-I509 HydrophobicContact CD2-CD1 4.14Å; F242-I509 HydrophobicContact CG-CD1 4.4Å; T284-I509 HydrophobicContact CG2-CD1 4.36Å; T284-I509 HydrophobicContact CG2-CG2 4.21Å; A381-I509 HydrophobicContact CB-CD1 4.24Å; A381-I509 HydrophobicContact CB-CG1 4.26Å; L382-I509 HydrophobicContact CB-CB 4.1Å; L382-I509 HydrophobicContact CB-CD1 3.94Å; L382-I509 HydrophobicContact CB-CG1 3.78Å; L382-I509 HydrophobicContact CD2-CB 3.91Å; M506-I509 WeakPolarHBondContact O-CB 3.29Å; M506-I509 WeakPolarHBondContact O-CG2 3.18Å; M506-I509 PolarHBondContact O-N 2.84Å; M506-I509 VanDerWaalsContact O-N 3.1Å; E507-I509 PolarHBondContact O-N 2.03Å; I509-R511 VanDerWaalsContact C-N 3.31Å; I509-R511 PolarHBondContact O-N 3.22Å
510	H	96.7	Very high	97.3	Very high	7 Å²	7	22.3 Å²	22.3	3%	0.032	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-90.6	17.8	177.6	-61.1	-48.1	0	0	0	113.5	E283 T284 E507 Q508 H579 F580 P581	E283-H510 PolarHBondContact O-CE1 2.7Å; E283-H510 VanDerWaalsContact O-CE1 3.26Å; T284-H510 PolarHBondContact OG1-CE1 3.11Å; T284-H510 PolarHBondContact OG1-NE2 2.94Å; E507-H510 PolarHBondContact O-N 3.4Å; Q508-H510 PolarHBondContact O-N 2.88Å; Q508-H510 VanDerWaalsContact O-N 3.16Å; H510-H579 WeakPolarHBondContact CB-O 3.35Å; H510-F580 CarbonylContact O-C 3.52Å; H510-P581 WeakPolarHBondContact O-CA 3.3Å; H510-P581 WeakPolarHBondContact O-CD 3.48Å
511	R	94.7	Very high	97.1	Very high	22 Å²	22	23.3 Å²	23.3	8%	0.083	11%	0.11	C	C	.	.			trans	-99.3	160.5	173.7	-71.1	-174.5	165.6	-80.4	-7.6	112.6	F416 Q508 I509 L551	F416-R511 HydrophobicContact CE2-CB 4.47Å; Q508-R511 WeakPolarHBondContact O-CB 3.06Å; Q508-R511 PolarHBondContact O-N 3.17Å; Q508-R511 VanDerWaalsContact O-N 3.11Å; I509-R511 VanDerWaalsContact C-N 3.31Å; I509-R511 PolarHBondContact O-N 3.22Å; R511-L551 WeakPolarHBondContact O-CD2 3Å
512	G	95.6	Very high	96.8	Very high	2 Å²	2	27 Å²	27	2%	0.021	13%	0.133	C	C	.	.	S	Bend	trans	88	-134.7	176	0	0	0	0	0	112.8	R550 P581 T582	G512-R550 WeakPolarHBondContact CA-O 3.35Å; G512-P581 WeakPolarHBondContact O-CA 3.37Å; G512-T582 PolarHBondContact O-N 2.81Å
513	I	96.8	Very high	96.6	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.6	-174.5	-59.4	169.4	0	0	0	108.8	Y548 R550 L552 L559 C573 V575 T582 C584	I513-Y548 HydrophobicContact CG2-CE2 4.12Å; I513-R550 PolarHBondContact N-O 2.87Å; I513-R550 PolarHBondContact O-N 2.96Å; I513-L552 HydrophobicContact CD1-CD1 3.75Å; I513-L552 HydrophobicContact CG1-CD1 4.22Å; I513-L559 HydrophobicContact CD1-CD1 3.62Å; I513-L559 HydrophobicContact CD1-CD2 4.01Å; I513-L559 HydrophobicContact CD1-CG 4.48Å; I513-L559 HydrophobicContact CG2-CD2 4.17Å; I513-C573 HydrophobicContact CD1-CB 3.6Å; I513-C573 HydrophobicContact CG1-CB 4.31Å; I513-V575 HydrophobicContact CD1-CG2 3.97Å; I513-V575 HydrophobicContact CG1-CG2 3.54Å; I513-T582 WeakPolarHBondContact CA-O 3.5Å; I513-C584 HydrophobicContact CG2-CB 3.53Å
514	K	97	Very high	96.4	Very high	40 Å²	40	33.1 Å²	33.1	17%	0.174	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	164.8	164.8	73.2	176.9	-176.1	178.3	0	110.9	G238 Y548 W549 P581 T582 I583 C584	G238-K514 PolarHBondContact O-NZ 2.86Å; K514-Y548 VanDerWaalsContact CA-O 3.25Å; K514-Y548 WeakPolarHBondContact CA-O 3.21Å; K514-Y548 WeakPolarHBondContact CB-O 3.31Å; K514-W549 HydrophobicContact CB-CG 4.3Å; K514-P581 HydrophobicContact CB-CB 4.4Å; K514-P581 HydrophobicContact CD-CB 4.26Å; K514-P581 HydrophobicContact CD-CG 3.54Å; K514-P581 HydrophobicContact CG-CB 4.01Å; K514-P581 HydrophobicContact CG-CG 3.78Å; K514-T582 PolarHBondContact N-O 3.34Å; K514-T582 VanDerWaalsContact O-O 3.12Å; K514-I583 CarbonylContact O-C 3.58Å; K514-I583 VanDerWaalsContact O-CA 3.24Å; K514-I583 WeakPolarHBondContact O-CA 3.41Å; K514-C584 PolarHBondContact O-N 2.85Å
515	G	97.2	Very high	96.3	Very high	8 Å²	8	33 Å²	33	8%	0.082	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.3	-177.6	176.5	0	0	0	0	0	112.3	D547 Y548 D585	G515-D547 CarbonylContact O-C 3.51Å; G515-D547 WeakPolarHBondContact O-CA 3.44Å; G515-Y548 PolarHBondContact N-O 2.84Å; G515-Y548 WeakPolarHBondContact O-CD1 3.07Å; G515-Y548 PolarHBondContact O-N 3.22Å; G515-D585 WeakPolarHBondContact CA-OD1 3.44Å
516	V	98.1	Very high	96.3	Very high	13 Å²	13	33.8 Å²	33.8	8%	0.079	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.1	178.6	-165.8	0	0	0	0	110.6	L237 R518 D547 D585 F586	L237-V516 HydrophobicContact CD1-CG1 4.05Å; L237-V516 HydrophobicContact CD1-CG2 4.01Å; L237-V516 HydrophobicContact CD2-CG2 4.19Å; L237-V516 HydrophobicContact CG-CG2 4.12Å; V516-R518 HydrophobicContact CB-CG 4.44Å; V516-R518 HydrophobicContact CG1-CG 3.86Å; V516-D547 HydrophobicContact CG2-CB 4.17Å; V516-D585 PolarHBondContact N-OD1 2.9Å; V516-F586 PolarHBondContact O-N 2.93Å
517	I	98.3	Very high	96.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	114	175.5	-57.1	168.2	0	0	0	107.9	G525 I526 A529 I531 G546 Y548 V561 F586 L588	I517-G525 CarbonylContact O-C 3.58Å; I517-G525 WeakPolarHBondContact O-CA 3.39Å; I517-I526 HydrophobicContact CG2-CB 4.15Å; I517-I526 HydrophobicContact CG2-CD1 4.29Å; I517-I526 PolarHBondContact O-N 2.88Å; I517-A529 HydrophobicContact CD1-CB 3.65Å; I517-A529 HydrophobicContact CG2-CB 4.07Å; I517-I531 HydrophobicContact CD1-CD1 3.75Å; I517-I531 HydrophobicContact CD1-CG1 3.66Å; I517-G546 PolarHBondContact N-O 3.5Å; I517-Y548 HydrophobicContact CD1-CD1 4.02Å; I517-Y548 HydrophobicContact CD1-CE1 4.4Å; I517-Y548 HydrophobicContact CG1-CD1 3.97Å; I517-Y548 HydrophobicContact CG1-CE1 4.1Å; I517-V561 HydrophobicContact CD1-CG1 3.54Å; I517-V561 HydrophobicContact CD1-CG2 4.21Å; I517-V561 HydrophobicContact CG1-CG1 4.06Å; I517-V561 HydrophobicContact CG2-CG1 3.89Å; I517-F586 CarbonylContact C-O 3.54Å; I517-F586 WeakPolarHBondContact CA-O 3.48Å; I517-F586 HydrophobicContact CG1-CB 4.24Å; I517-F586 HydrophobicContact CG2-CB 4.4Å; I517-L588 HydrophobicContact CG2-CD1 3.72Å; I517-L588 HydrophobicContact CG2-CG 3.87Å
518	R	98	Very high	96.2	Very high	80 Å²	80	38.4 Å²	38.4	30%	0.302	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	150.6	-174.8	-60.2	178.9	-177	-83.6	-2.3	111.9	V516 K520 G523 V524 F586 N587 L588	V516-R518 HydrophobicContact CB-CG 4.44Å; V516-R518 HydrophobicContact CG1-CG 3.86Å; R518-K520 PolarHBondContact O-N 2.89Å; R518-G523 PolarHBondContact NH1-O 2.99Å; R518-V524 WeakPolarHBondContact CA-O 3.25Å; R518-F586 PolarHBondContact N-O 2.93Å; R518-N587 CarbonylContact O-C 3.55Å; R518-N587 WeakPolarHBondContact O-CA 3.49Å; R518-L588 PolarHBondContact O-N 3.04Å
519	D	96.3	Very high	96.2	Very high	3 Å²	3	38 Å²	38	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	122.8	165.1	179.8	-83.2	0	0	0	110.1	D521 T522 G523 V524 I526 Y566 K590	D519-D521 VanDerWaalsContact C-N 3.25Å; D519-D521 PolarHBondContact O-N 2.74Å; D519-D521 PolarHBondContact OD1-N 3.3Å; D519-T522 VanDerWaalsContact CB-OG1 3.24Å; D519-T522 WeakPolarHBondContact CB-OG1 3.43Å; D519-T522 PolarHBondContact O-N 3.39Å; D519-T522 PolarHBondContact OD1-N 3.32Å; D519-T522 PolarHBondContact OD1-OG1 3.29Å; D519-G523 WeakPolarHBondContact O-CA 3.42Å; D519-G523 PolarHBondContact O-N 2.86Å; D519-V524 PolarHBondContact N-O 3.41Å; D519-I526 HydrophobicContact CB-CD1 4.23Å; D519-I526 HydrophobicContact CB-CG1 4.3Å; D519-Y566 HydrophobicContact CB-CE1 4.28Å; D519-Y566 WeakPolarHBondContact OD2-CE1 3.32Å; D519-Y566 VanDerWaalsContact OD2-CZ 3.27Å; D519-Y566 PolarHBondContact OD2-OH 2.85Å; D519-K590 WeakPolarHBondContact OD2-CE 3.24Å; D519-K590 WeakPolarHBondContact OD2-CG 3.47Å; D519-K590 IonicContact OD2-NZ 3.66Å
520	K	95.3	Very high	96.2	Very high	134 Å²	134	40.8 Å²	40.8	58%	0.583	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-31.9	-175.3	-176.6	176.5	179.6	175.8	0	114	R518 N587 L588 T589	R518-K520 PolarHBondContact O-N 2.89Å; K520-N587 HydrophobicContact CB-CB 4.35Å; K520-L588 VanDerWaalsContact CB-O 3.28Å; K520-L588 WeakPolarHBondContact CB-O 3.44Å; K520-L588 PolarHBondContact N-O 3.25Å; K520-T589 WeakPolarHBondContact CD-OG1 3.22Å
521	D	92.4	Very high	96.2	Very high	93 Å²	93	40.5 Å²	40.5	50%	0.497	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-32.2	-174.8	-67	-32.6	0	0	0	111.9	D519	D519-D521 VanDerWaalsContact C-N 3.25Å; D519-D521 PolarHBondContact O-N 2.74Å; D519-D521 PolarHBondContact OD1-N 3.3Å
522	T	92.4	Very high	96.3	Very high	77 Å²	77	44 Å²	44	47%	0.472	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-18.5	-172.3	59.6	0	0	0	0	114.5	D519 V524	D519-T522 VanDerWaalsContact CB-OG1 3.24Å; D519-T522 WeakPolarHBondContact CB-OG1 3.43Å; D519-T522 PolarHBondContact O-N 3.39Å; D519-T522 PolarHBondContact OD1-N 3.32Å; D519-T522 PolarHBondContact OD1-OG1 3.29Å; T522-V524 PolarHBondContact O-N 2.8Å
523	G	93.6	Very high	96.3	Very high	36 Å²	36	44 Å²	44	37%	0.371	24%	0.244	S	C	.	.			trans	73.2	-2.7	-176.3	0	0	0	0	0	115.1	R518 D519	R518-G523 PolarHBondContact NH1-O 2.99Å; D519-G523 WeakPolarHBondContact O-CA 3.42Å; D519-G523 PolarHBondContact O-N 2.86Å
524	V	95.2	Very high	96.1	Very high	94 Å²	94	46.9 Å²	46.9	57%	0.57	26%	0.257	S	S	*	.			trans	-72.7	142.2	179.2	-178.1	0	0	0	0	109.9	R518 D519 T522	R518-V524 WeakPolarHBondContact CA-O 3.25Å; D519-V524 PolarHBondContact N-O 3.41Å; T522-V524 PolarHBondContact O-N 2.8Å
525	G	96.8	Very high	95.8	Very high	22 Å²	22	53.1 Å²	53.1	23%	0.227	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-58.7	146.2	173.8	0	0	0	0	0	113.4	I517 D545	I517-G525 CarbonylContact O-C 3.58Å; I517-G525 WeakPolarHBondContact O-CA 3.39Å; G525-D545 VanDerWaalsContact CA-O 3.24Å; G525-D545 WeakPolarHBondContact CA-O 3.32Å
526	I	97.9	Very high	95.7	Very high	16 Å²	16	53.9 Å²	53.9	8%	0.082	30%	0.295	C	S	.	.			trans	-110.2	107.3	176.3	-57.2	173.6	0	0	0	108.2	I517 D519 A529 S542 G546 A563 Y566 L588	I517-I526 HydrophobicContact CG2-CB 4.15Å; I517-I526 HydrophobicContact CG2-CD1 4.29Å; I517-I526 PolarHBondContact O-N 2.88Å; D519-I526 HydrophobicContact CB-CD1 4.23Å; D519-I526 HydrophobicContact CB-CG1 4.3Å; I526-A529 HydrophobicContact CG2-CB 4.22Å; I526-S542 PolarHBondContact O-OG 2.87Å; I526-G546 WeakPolarHBondContact O-CA 3.49Å; I526-A563 HydrophobicContact CG2-CB 3.8Å; I526-Y566 HydrophobicContact CD1-CD1 3.91Å; I526-Y566 HydrophobicContact CD1-CD2 4.25Å; I526-Y566 HydrophobicContact CD1-CE1 3.52Å; I526-Y566 HydrophobicContact CD1-CE2 3.92Å; I526-Y566 HydrophobicContact CD1-CG 4.26Å; I526-Y566 HydrophobicContact CG1-CE2 4.46Å; I526-Y566 HydrophobicContact CG2-CE2 4.38Å; I526-L588 HydrophobicContact CD1-CB 3.88Å; I526-L588 HydrophobicContact CD1-CD1 3.93Å; I526-L588 HydrophobicContact CD1-CG 4.17Å
527	A	96.8	Very high	95.5	Very high	44 Å²	44	58.2 Å²	58.2	36%	0.364	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	156.5	172.4	0	0	0	0	0	112.5	A529 V543	A527-A529 PolarHBondContact O-N 2.69Å; A527-V543 VanDerWaalsContact CA-O 3.26Å; A527-V543 WeakPolarHBondContact CA-O 3.43Å; A527-V543 WeakPolarHBondContact CB-O 3.48Å
528	D	96	Very high	95.3	Very high	103 Å²	103	58.2 Å²	58.2	55%	0.551	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	21.8	176.6	-61.4	-55.8	0	0	0	114.1	S542	D528-S542 PolarHBondContact N-O 3.07Å; D528-S542 PolarHBondContact N-OG 2.87Å
529	A	97.3	Very high	95.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.311	C	S	.	.			trans	-72.1	133.2	172	0	0	0	0	0	108.5	I517 I526 A527 I531 R541 S542 V561 S562 A563	I517-A529 HydrophobicContact CD1-CB 3.65Å; I517-A529 HydrophobicContact CG2-CB 4.07Å; I526-A529 HydrophobicContact CG2-CB 4.22Å; A527-A529 PolarHBondContact O-N 2.69Å; A529-I531 VanDerWaalsContact O-CD1 3.27Å; A529-I531 WeakPolarHBondContact O-CD1 3.27Å; A529-R541 CarbonylContact O-C 3.29Å; A529-R541 VanDerWaalsContact O-CA 3.28Å; A529-R541 WeakPolarHBondContact O-CA 3.34Å; A529-S542 VanDerWaalsContact CB-OG 3.28Å; A529-S542 WeakPolarHBondContact CB-OG 3.39Å; A529-S542 PolarHBondContact N-OG 3.43Å; A529-S542 PolarHBondContact O-N 3.43Å; A529-V561 HydrophobicContact CB-CG1 4.24Å; A529-S562 CarbonylContact C-O 3.11Å; A529-S562 WeakPolarHBondContact CA-O 3.37Å; A529-A563 HydrophobicContact CB-CB 3.86Å
530	I	97.1	Very high	95.2	Very high	62 Å²	62	56 Å²	56	32%	0.318	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	122.8	-179.5	-59.1	171.4	0	0	0	108.3	H539 V561 S562	I530-H539 HydrophobicContact CG2-CB 3.9Å; I530-V561 WeakPolarHBondContact O-CA 3.28Å; I530-S562 PolarHBondContact N-O 2.98Å; I530-S562 PolarHBondContact O-N 3.08Å
531	I	97.4	Very high	95.2	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	112.8	172.9	-52.5	94.3	0	0	0	107.9	I517 A529 I540 Y548 L559 V561	I517-I531 HydrophobicContact CD1-CD1 3.75Å; I517-I531 HydrophobicContact CD1-CG1 3.66Å; A529-I531 VanDerWaalsContact O-CD1 3.27Å; A529-I531 WeakPolarHBondContact O-CD1 3.27Å; I531-I540 HydrophobicContact CB-CD1 4.35Å; I531-I540 HydrophobicContact CB-CG1 3.76Å; I531-I540 HydrophobicContact CD1-CD1 4.29Å; I531-I540 HydrophobicContact CD1-CG1 3.92Å; I531-I540 HydrophobicContact CG1-CG1 4.35Å; I531-I540 HydrophobicContact CG2-CG1 4.44Å; I531-I540 PolarHBondContact N-O 2.84Å; I531-I540 PolarHBondContact O-N 3.33Å; I531-I540 VanDerWaalsContact O-N 3.13Å; I531-Y548 HydrophobicContact CD1-CD1 4.38Å; I531-Y548 HydrophobicContact CD1-CD2 4.33Å; I531-Y548 HydrophobicContact CD1-CG 3.93Å; I531-Y548 HydrophobicContact CG1-CD1 4.34Å; I531-Y548 HydrophobicContact CG1-CD2 4.23Å; I531-Y548 HydrophobicContact CG1-CG 4.12Å; I531-Y548 HydrophobicContact CG2-CE2 4.29Å; I531-L559 HydrophobicContact CG2-CD2 3.89Å; I531-L559 HydrophobicContact CG2-CG 4.33Å; I531-V561 HydrophobicContact CG1-CG2 4.08Å; I531-V561 HydrophobicContact CG2-CG2 4.28Å
532	K	96.1	Very high	95.5	Very high	95 Å²	95	48.4 Å²	48.4	41%	0.413	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.7	174.3	174.2	171.8	-174.8	170.7	0	109.7	H539 L559 T560	K532-H539 WeakPolarHBondContact CD-NE2 3.41Å; K532-H539 WeakPolarHBondContact CG-NE2 3.49Å; K532-L559 CarbonylContact O-C 3.55Å; K532-L559 VanDerWaalsContact O-CA 3.28Å; K532-L559 WeakPolarHBondContact O-CA 3.3Å; K532-T560 PolarHBondContact N-O 3.08Å; K532-T560 PolarHBondContact O-N 2.79Å
533	V	96.5	Very high	95.7	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.6	165.7	-176.1	0	0	0	0	107.4	D535 I536 R550 L552 Y557 L559	V533-D535 PolarHBondContact O-N 2.84Å; V533-I536 HydrophobicContact CB-CB 4.35Å; V533-I536 HydrophobicContact CB-CD1 4.33Å; V533-I536 HydrophobicContact CG1-CD1 3.87Å; V533-I536 HydrophobicContact CG1-CG1 4.19Å; V533-I536 PolarHBondContact O-N 3.24Å; V533-R550 HydrophobicContact CG2-CG 3.87Å; V533-L552 HydrophobicContact CG2-CD1 4.4Å; V533-Y557 HydrophobicContact CG1-CD1 3.56Å; V533-Y557 HydrophobicContact CG1-CE1 4.43Å; V533-Y557 HydrophobicContact CG1-CG 4.18Å; V533-L559 HydrophobicContact CG2-CD1 4.37Å; V533-L559 HydrophobicContact CG2-CG 4.28Å
534	E	93.3	Very high	95.7	Very high	63 Å²	63	47.7 Å²	47.7	29%	0.294	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	139.9	172.8	-74.8	-176.3	-177.5	0	0	109.9	I536 R558	E534-I536 PolarHBondContact O-N 2.78Å; E534-R558 HydrophobicContact CB-CB 4.24Å; E534-R558 VanDerWaalsContact CD-CG 3.49Å; E534-R558 HydrophobicContact CG-CB 4.06Å; E534-R558 HydrophobicContact CG-CG 4.2Å; E534-R558 WeakPolarHBondContact CG-O 3.5Å; E534-R558 PolarHBondContact N-O 3.1Å; E534-R558 WeakPolarHBondContact OE1-CD 3.31Å; E534-R558 WeakPolarHBondContact OE1-CG 3.21Å; E534-R558 IonicContact OE1-CZ 3.47Å; E534-R558 IonicContact OE1-NE 2.7Å; E534-R558 PolarHBondContact OE1-NE 3.48Å; E534-R558 IonicContact OE1-NH1 2.75Å; E534-R558 PolarHBondContact OE1-NH1 2.81Å; E534-R558 IonicContact OE1-NH2 3.55Å; E534-R558 WeakPolarHBondContact OE2-CB 3.33Å; E534-R558 VanDerWaalsContact OE2-CD 3.25Å; E534-R558 WeakPolarHBondContact OE2-CD 3.11Å; E534-R558 IonicContact OE2-CZ 3.56Å; E534-R558 IonicContact OE2-NE 3.78Å; E534-R558 IonicContact OE2-NH1 3.06Å; E534-R558 PolarHBondContact OE2-NH1 2.87Å
535	D	90.2	Very high	95.7	Very high	170 Å²	170	47.4 Å²	47.4	91%	0.909	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	4.7	-179.8	-50.4	-39.8	0	0	0	117.7	V533	V533-D535 PolarHBondContact O-N 2.84Å
536	I	94.9	Very high	95.7	Very high	25 Å²	25	46.3 Å²	46.3	13%	0.128	25%	0.252	C	S	.	.			trans	-116.4	112.8	169	-51.8	177.2	0	0	0	109.8	P412 V533 E534 H538 R550 L552 Y557	P412-I536 HydrophobicContact CB-CG2 4.01Å; V533-I536 HydrophobicContact CB-CB 4.35Å; V533-I536 HydrophobicContact CB-CD1 4.33Å; V533-I536 HydrophobicContact CG1-CD1 3.87Å; V533-I536 HydrophobicContact CG1-CG1 4.19Å; V533-I536 PolarHBondContact O-N 3.24Å; E534-I536 PolarHBondContact O-N 2.78Å; I536-H538 HydrophobicContact CG2-CB 4.42Å; I536-H538 PolarHBondContact O-N 3.28Å; I536-R550 VanDerWaalsContact CG2-NH2 3.29Å; I536-L552 HydrophobicContact CD1-CD2 3.53Å; I536-Y557 HydrophobicContact CD1-CE1 4.22Å
537	D	92.9	Very high	95.7	Very high	103 Å²	103	45.6 Å²	45.6	55%	0.551	25%	0.248	S	C	*	.	S	Bend	trans	-82.4	49.1	-177.6	-163.3	25.5	0	0	0	112.8	N348 P412	N348-D537 PolarHBondContact ND2-OD1 3.07Å; P412-D537 HydrophobicContact CB-CB 4.49Å; P412-D537 HydrophobicContact CG-CB 4.4Å; P412-D537 WeakPolarHBondContact CG-O 3.46Å
538	H	95.3	Very high	95.8	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.231	C	C	.	.			trans	-149.4	105.7	172.4	-175.8	68	0	0	0	108.8	N348 H349 P412 D413 Y468 I536 R550	N348-H538 PolarHBondContact O-ND1 3.39Å; H349-H538 AromaticContact CG-CE1 3.94Å; H349-H538 AromaticContact ND1-CE1 3.29Å; H349-H538 PolarHBondContact ND1-CE1 3.41Å; H349-H538 VanDerWaalsContact ND1-CE1 3.29Å; H349-H538 AromaticContact ND1-NE2 3.42Å; H349-H538 PolarHBondContact ND1-NE2 3.11Å; P412-H538 HydrophobicContact CB-CB 4.05Å; P412-H538 HydrophobicContact CG-CB 4.24Å; D413-H538 WeakPolarHBondContact OD2-CB 3.41Å; D413-H538 IonicContact OD2-CD2 3.53Å; D413-H538 PolarHBondContact OD2-CD2 3.46Å; D413-H538 IonicContact OD2-CG 3.77Å; Y468-H538 AromaticContact CD2-NE2 3.75Å; Y468-H538 AromaticContact CE1-CE1 3.95Å; Y468-H538 AromaticContact CE1-ND1 3.88Å; Y468-H538 AromaticContact CE2-CD2 3.38Å; Y468-H538 WeakPolarHBondContact CE2-CD2 3.49Å; Y468-H538 AromaticContact CE2-CE1 3.89Å; Y468-H538 AromaticContact CE2-CG 3.95Å; Y468-H538 AromaticContact CE2-NE2 3.41Å; Y468-H538 WeakPolarHBondContact CE2-NE2 3.24Å; Y468-H538 AromaticContact CZ-CD2 3.46Å; Y468-H538 VanDerWaalsContact CZ-CD2 3.46Å; Y468-H538 AromaticContact CZ-CE1 3.8Å; Y468-H538 AromaticContact CZ-CG 3.51Å; Y468-H538 AromaticContact CZ-ND1 3.73Å; Y468-H538 AromaticContact CZ-NE2 3.71Å; Y468-H538 PolarHBondContact O-CE1 3.06Å; Y468-H538 WeakPolarHBondContact OH-CB 3.07Å; Y468-H538 PolarHBondContact OH-CD2 3.15Å; Y468-H538 VanDerWaalsContact OH-CG 3.24Å; I536-H538 HydrophobicContact CG2-CB 4.42Å; I536-H538 PolarHBondContact O-N 3.28Å; H538-R550 PolarHBondContact CD2-NH1 2.77Å; H538-R550 PolarHBondContact O-NH1 3.35Å; H538-R550 PolarHBondContact O-NH2 3.41Å
539	H	94.4	Very high	95.9	Very high	35 Å²	35	39.2 Å²	39.2	16%	0.162	21%	0.207	C	C	.	.			trans	-80.1	172.2	179.1	-55.4	153.6	0	0	0	111.5	N348 H349 I530 K532	N348-H539 PolarHBondContact ND2-CD2 2.84Å; N348-H539 PolarHBondContact ND2-CE1 2.9Å; N348-H539 PolarHBondContact ND2-NE2 2.98Å; N348-H539 VanDerWaalsContact ND2-NE2 3.16Å; N348-H539 PolarHBondContact OD1-N 3.35Å; N348-H539 PolarHBondContact OD1-ND1 3.49Å; H349-H539 HydrophobicContact CB-CB 4.34Å; H349-H539 WeakPolarHBondContact CB-O 3.35Å; H349-H539 PolarHBondContact CD2-O 2.98Å; H349-H539 PolarHBondContact ND1-O 2.93Å; H349-H539 VanDerWaalsContact ND1-O 3.09Å; I530-H539 HydrophobicContact CG2-CB 3.9Å; K532-H539 WeakPolarHBondContact CD-NE2 3.41Å; K532-H539 WeakPolarHBondContact CG-NE2 3.49Å
540	I	96.7	Very high	95.9	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	171.1	165.6	61.6	168.7	0	0	0	110	N472 I531 Y548 W549 R550	N472-I540 WeakPolarHBondContact OD1-CA 3.39Å; N472-I540 WeakPolarHBondContact OD1-CB 3.42Å; I531-I540 HydrophobicContact CB-CD1 4.35Å; I531-I540 HydrophobicContact CB-CG1 3.76Å; I531-I540 HydrophobicContact CD1-CD1 4.29Å; I531-I540 HydrophobicContact CD1-CG1 3.92Å; I531-I540 HydrophobicContact CG1-CG1 4.35Å; I531-I540 HydrophobicContact CG2-CG1 4.44Å; I531-I540 PolarHBondContact N-O 2.84Å; I531-I540 PolarHBondContact O-N 3.33Å; I531-I540 VanDerWaalsContact O-N 3.13Å; I540-Y548 HydrophobicContact CD1-CD2 3.82Å; I540-Y548 HydrophobicContact CD1-CG 4.5Å; I540-W549 WeakPolarHBondContact CD1-O 3.5Å; I540-R550 HydrophobicContact CD1-CB 3.61Å; I540-R550 HydrophobicContact CD1-CG 4.25Å
541	R	96.6	Very high	95.9	Very high	64 Å²	64	36.5 Å²	36.5	24%	0.242	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.6	175.4	-63.2	-177.3	-176.7	-173.3	4	112.4	Y350 N472 A529	Y350-R541 VanDerWaalsContact CB-CZ 3.49Å; N472-R541 PolarHBondContact ND2-O 2.79Å; N472-R541 PolarHBondContact OD1-N 3.17Å; A529-R541 CarbonylContact O-C 3.29Å; A529-R541 VanDerWaalsContact O-CA 3.28Å; A529-R541 WeakPolarHBondContact O-CA 3.34Å
542	S	97.8	Very high	95.9	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.021	19%	0.194	C	C	.	.			trans	-72.1	151.3	165.8	51.6	0	0	0	0	112	I526 D528 A529 G546 D547	I526-S542 PolarHBondContact O-OG 2.87Å; D528-S542 PolarHBondContact N-O 3.07Å; D528-S542 PolarHBondContact N-OG 2.87Å; A529-S542 VanDerWaalsContact CB-OG 3.28Å; A529-S542 WeakPolarHBondContact CB-OG 3.39Å; A529-S542 PolarHBondContact N-OG 3.43Å; A529-S542 PolarHBondContact O-N 3.43Å; S542-G546 WeakPolarHBondContact CB-O 3.35Å; S542-D547 CarbonylContact C-O 3.54Å; S542-D547 VanDerWaalsContact CA-O 3.23Å; S542-D547 WeakPolarHBondContact CA-O 3.24Å; S542-D547 WeakPolarHBondContact CB-O 3.36Å
543	V	96.1	Very high	95.8	Very high	17 Å²	17	33.3 Å²	33.3	10%	0.103	18%	0.181	C	C	.	.			trans	-88.3	-173.4	-179.2	-49.2	0	0	0	0	111.3	P379 A527 D545 G546 D547 W549	P379-V543 HydrophobicContact CB-CB 4.14Å; P379-V543 HydrophobicContact CB-CG1 3.31Å; P379-V543 HydrophobicContact CG-CB 4.37Å; P379-V543 HydrophobicContact CG-CG1 3.93Å; A527-V543 VanDerWaalsContact CA-O 3.26Å; A527-V543 WeakPolarHBondContact CA-O 3.43Å; A527-V543 WeakPolarHBondContact CB-O 3.48Å; V543-D545 VanDerWaalsContact C-N 3.29Å; V543-D545 PolarHBondContact O-N 2.91Å; V543-D545 VanDerWaalsContact O-N 3.16Å; V543-G546 WeakPolarHBondContact O-CA 3.23Å; V543-G546 PolarHBondContact O-N 3.3Å; V543-D547 VanDerWaalsContact CG2-CG 3.5Å; V543-D547 WeakPolarHBondContact CG2-OD1 3.36Å; V543-D547 PolarHBondContact N-O 3.27Å; V543-W549 HydrophobicContact CG1-CH2 4.39Å; V543-W549 HydrophobicContact CG1-CZ3 3.81Å; V543-W549 HydrophobicContact CG2-CH2 4.23Å; V543-W549 HydrophobicContact CG2-CZ3 4.43Å
544	A	94.6	Very high	95.8	Very high	80 Å²	80	34.9 Å²	34.9	66%	0.661	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-40.9	-172.4	0	0	0	0	0	114.6	G546	A544-G546 VanDerWaalsContact C-N 3.31Å
545	D	95.3	Very high	95.9	Very high	88 Å²	88	33.2 Å²	33.2	47%	0.471	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	8.3	-179.9	-67.8	-47.2	0	0	0	113.6	L237 G525 V543 D547	L237-D545 HydrophobicContact CD1-CB 3.69Å; G525-D545 VanDerWaalsContact CA-O 3.24Å; G525-D545 WeakPolarHBondContact CA-O 3.32Å; V543-D545 VanDerWaalsContact C-N 3.29Å; V543-D545 PolarHBondContact O-N 2.91Å; V543-D545 VanDerWaalsContact O-N 3.16Å; D545-D547 VanDerWaalsContact C-N 3.31Å
546	G	97.5	Very high	96.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	82.9	0.7	175.3	0	0	0	0	0	114.9	I517 I526 S542 V543 A544	I517-G546 PolarHBondContact N-O 3.5Å; I526-G546 WeakPolarHBondContact O-CA 3.49Å; S542-G546 WeakPolarHBondContact CB-O 3.35Å; V543-G546 WeakPolarHBondContact O-CA 3.23Å; V543-G546 PolarHBondContact O-N 3.3Å; A544-G546 VanDerWaalsContact C-N 3.31Å
547	D	97.9	Very high	96.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	157.6	171.9	54.4	-42.8	0	0	0	113.1	H235 L237 G238 G515 V516 S542 V543 D545 W549	H235-D547 IonicContact CE1-OD2 3.25Å; H235-D547 IonicContact NE2-OD1 3.2Å; H235-D547 IonicContact NE2-OD2 2.84Å; H235-D547 PolarHBondContact NE2-OD2 3.39Å; L237-D547 HydrophobicContact CD1-CB 3.78Å; G238-D547 PolarHBondContact N-OD2 3.22Å; G515-D547 CarbonylContact O-C 3.51Å; G515-D547 WeakPolarHBondContact O-CA 3.44Å; V516-D547 HydrophobicContact CG2-CB 4.17Å; S542-D547 CarbonylContact C-O 3.54Å; S542-D547 VanDerWaalsContact CA-O 3.23Å; S542-D547 WeakPolarHBondContact CA-O 3.24Å; S542-D547 WeakPolarHBondContact CB-O 3.36Å; V543-D547 VanDerWaalsContact CG2-CG 3.5Å; V543-D547 WeakPolarHBondContact CG2-OD1 3.36Å; V543-D547 PolarHBondContact N-O 3.27Å; D545-D547 VanDerWaalsContact C-N 3.31Å; D547-W549 WeakPolarHBondContact OD2-CH2 3.46Å; D547-W549 WeakPolarHBondContact OD2-CZ2 3.49Å
548	Y	98.2	Very high	96.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	156.4	-178.2	74.6	-88.9	0	0	0	110.8	I513 K514 G515 I517 I531 I540 L559 C584 F586	I513-Y548 HydrophobicContact CG2-CE2 4.12Å; K514-Y548 VanDerWaalsContact CA-O 3.25Å; K514-Y548 WeakPolarHBondContact CA-O 3.21Å; K514-Y548 WeakPolarHBondContact CB-O 3.31Å; G515-Y548 PolarHBondContact N-O 2.84Å; G515-Y548 WeakPolarHBondContact O-CD1 3.07Å; G515-Y548 PolarHBondContact O-N 3.22Å; I517-Y548 HydrophobicContact CD1-CD1 4.02Å; I517-Y548 HydrophobicContact CD1-CE1 4.4Å; I517-Y548 HydrophobicContact CG1-CD1 3.97Å; I517-Y548 HydrophobicContact CG1-CE1 4.1Å; I531-Y548 HydrophobicContact CD1-CD1 4.38Å; I531-Y548 HydrophobicContact CD1-CD2 4.33Å; I531-Y548 HydrophobicContact CD1-CG 3.93Å; I531-Y548 HydrophobicContact CG1-CD1 4.34Å; I531-Y548 HydrophobicContact CG1-CD2 4.23Å; I531-Y548 HydrophobicContact CG1-CG 4.12Å; I531-Y548 HydrophobicContact CG2-CE2 4.29Å; I540-Y548 HydrophobicContact CD1-CD2 3.82Å; I540-Y548 HydrophobicContact CD1-CG 4.5Å; Y548-L559 HydrophobicContact CE2-CD2 4.43Å; Y548-C584 PolarHBondContact OH-O 2.88Å; Y548-F586 HydrophobicContact CE1-CD2 4.42Å
549	W	97.9	Very high	96.6	Very high	13 Å²	13	32.8 Å²	32.8	5%	0.049	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	123.4	172.6	-49.5	-93.4	0	0	0	108.9	H235 G238 E239 P240 A381 K514 I540 V543 D547	H235-W549 AromaticContact CE1-CH2 3.5Å; H235-W549 AromaticContact CE1-CZ2 3.96Å; H235-W549 AromaticContact NE2-CH2 3.91Å; G238-W549 PolarHBondContact O-NE1 2.83Å; E239-W549 WeakPolarHBondContact O-CZ2 3.44Å; P240-W549 HydrophobicContact CB-CD2 4.09Å; P240-W549 HydrophobicContact CB-CG 4.04Å; A381-W549 HydrophobicContact CB-CB 4.08Å; A381-W549 HydrophobicContact CB-CE3 4.32Å; A381-W549 HydrophobicContact CB-CG 4.42Å; K514-W549 HydrophobicContact CB-CG 4.3Å; I540-W549 WeakPolarHBondContact CD1-O 3.5Å; V543-W549 HydrophobicContact CG1-CH2 4.39Å; V543-W549 HydrophobicContact CG1-CZ3 3.81Å; V543-W549 HydrophobicContact CG2-CH2 4.23Å; V543-W549 HydrophobicContact CG2-CZ3 4.43Å; D547-W549 WeakPolarHBondContact OD2-CH2 3.46Å; D547-W549 WeakPolarHBondContact OD2-CZ2 3.49Å
550	R	97.4	Very high	96.7	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	102.1	175.5	-174.7	57.4	-167.7	-163	-2.2	109	D413 G512 I513 V533 I536 H538 I540 L552	D413-R550 IonicContact OD1-CZ 3.65Å; D413-R550 IonicContact OD1-NH2 3.99Å; D413-R550 PolarHBondContact OD1-NH2 2.71Å; D413-R550 IonicContact OD2-CZ 3.39Å; D413-R550 IonicContact OD2-NH1 3.71Å; D413-R550 IonicContact OD2-NH2 3.07Å; D413-R550 PolarHBondContact OD2-NH2 3.32Å; G512-R550 WeakPolarHBondContact CA-O 3.35Å; I513-R550 PolarHBondContact N-O 2.87Å; I513-R550 PolarHBondContact O-N 2.96Å; V533-R550 HydrophobicContact CG2-CG 3.87Å; I536-R550 VanDerWaalsContact CG2-NH2 3.29Å; H538-R550 PolarHBondContact CD2-NH1 2.77Å; H538-R550 PolarHBondContact O-NH1 3.35Å; H538-R550 PolarHBondContact O-NH2 3.41Å; I540-R550 HydrophobicContact CD1-CB 3.61Å; I540-R550 HydrophobicContact CD1-CG 4.25Å; R550-L552 HydrophobicContact CG-CD1 3.89Å; R550-L552 HydrophobicContact CG-CD2 4.34Å; R550-L552 HydrophobicContact CG-CG 3.94Å; R550-L552 PolarHBondContact O-N 2.78Å
551	L	97	Very high	96.8	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	17%	0.174	C	C	.	.			trans	-72.1	126.9	179.3	-52.6	178.7	0	0	0	110	L382 F416 F474 R511	L382-L551 HydrophobicContact CB-CD1 4.11Å; L382-L551 HydrophobicContact CD1-CD1 4.06Å; F416-L551 HydrophobicContact CD1-CB 3.93Å; F416-L551 HydrophobicContact CE1-CB 3.27Å; F416-L551 HydrophobicContact CE1-CD1 3.81Å; F416-L551 HydrophobicContact CE1-CG 4.14Å; F416-L551 HydrophobicContact CE2-CB 4.28Å; F416-L551 HydrophobicContact CZ-CB 3.5Å; F416-L551 VanDerWaalsContact CZ-CB 3.5Å; F416-L551 HydrophobicContact CZ-CD1 4.34Å; F416-L551 HydrophobicContact CZ-CG 4.39Å; F474-L551 HydrophobicContact CB-CD1 4.17Å; F474-L551 HydrophobicContact CD2-CD1 4.48Å; F474-L551 HydrophobicContact CG-CD1 4.24Å; R511-L551 WeakPolarHBondContact O-CD2 3Å
552	L	96.6	Very high	96.7	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	18%	0.175	C	C	.	.			trans	-150.1	152.2	-173.6	-68.6	170	0	0	0	110.1	F416 I513 V533 I536 R550 Y557 V575	F416-L552 VanDerWaalsContact CD2-C 3.45Å; I513-L552 HydrophobicContact CD1-CD1 3.75Å; I513-L552 HydrophobicContact CG1-CD1 4.22Å; V533-L552 HydrophobicContact CG2-CD1 4.4Å; I536-L552 HydrophobicContact CD1-CD2 3.53Å; R550-L552 HydrophobicContact CG-CD1 3.89Å; R550-L552 HydrophobicContact CG-CD2 4.34Å; R550-L552 HydrophobicContact CG-CG 3.94Å; R550-L552 PolarHBondContact O-N 2.78Å; L552-Y557 HydrophobicContact CB-CE2 3.96Å; L552-Y557 HydrophobicContact CD1-CD1 4.08Å; L552-Y557 HydrophobicContact CD1-CD2 3.79Å; L552-Y557 HydrophobicContact CD1-CE1 4.25Å; L552-Y557 HydrophobicContact CD1-CE2 3.97Å; L552-Y557 HydrophobicContact CD1-CG 3.83Å; L552-Y557 HydrophobicContact CD2-CD1 4.48Å; L552-Y557 HydrophobicContact CD2-CE1 4.05Å; L552-Y557 HydrophobicContact CG-CE2 4.42Å; L552-V575 HydrophobicContact CB-CG2 4.1Å; L552-V575 HydrophobicContact CD1-CG2 4.34Å
553	N	95.4	Very high	96.7	Very high	27 Å²	27	31.9 Å²	31.9	14%	0.144	18%	0.18	C	C	.	.			trans	-71.3	163.2	168.5	-75.8	-34	0	0	0	110.8	S415 F416 G555 Y557 V575	S415-N553 VanDerWaalsContact C-ND2 3.25Å; S415-N553 PolarHBondContact O-ND2 3.19Å; S415-N553 PolarHBondContact OG-ND2 3.2Å; F416-N553 WeakPolarHBondContact CD2-OD1 3.4Å; N553-G555 PolarHBondContact O-N 2.89Å; N553-Y557 VanDerWaalsContact O-CE2 3.28Å; N553-Y557 WeakPolarHBondContact O-CE2 3.23Å; N553-Y557 PolarHBondContact O-OH 2.98Å; N553-V575 WeakPolarHBondContact O-CB 3.43Å; N553-V575 WeakPolarHBondContact O-CG1 3.17Å
554	P	95.8	Very high	96.6	Very high	34 Å²	34	39.3 Å²	39.3	22%	0.221	21%	0.214	C	C	.	.	S	Bend	trans	-56.2	131	173.9	-26	35.7	0	0	0	112	V575 Y577	P554-V575 WeakPolarHBondContact CA-O 3.38Å; P554-Y577 HydrophobicContact CB-CD1 4.08Å; P554-Y577 HydrophobicContact CB-CD2 4.27Å; P554-Y577 HydrophobicContact CB-CE1 3.97Å; P554-Y577 HydrophobicContact CB-CE2 4.16Å; P554-Y577 HydrophobicContact CB-CG 4.23Å; P554-Y577 HydrophobicContact CG-CD1 3.74Å; P554-Y577 HydrophobicContact CG-CE1 3.89Å; P554-Y577 HydrophobicContact CG-CG 4.18Å
555	G	95.2	Very high	96.5	Very high	28 Å²	28	36.4 Å²	36.4	29%	0.289	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	167.9	173	-172.7	0	0	0	0	0	114.3	N553 V575	N553-G555 PolarHBondContact O-N 2.89Å; G555-V575 PolarHBondContact N-O 2.91Å; G555-V575 PolarHBondContact O-N 3.2Å
556	E	96.2	Very high	96.6	Very high	129 Å²	129	34 Å²	34	60%	0.603	18%	0.176	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	125.8	172.3	177.5	174.4	-179.9	0	0	109.5	T572 Y574	E556-T572 HydrophobicContact CG-CG2 3.55Å; E556-T572 WeakPolarHBondContact OE1-CG2 3.14Å; E556-Y574 HydrophobicContact CB-CD1 3.99Å; E556-Y574 HydrophobicContact CB-CE1 3.98Å; E556-Y574 HydrophobicContact CG-CD1 3.97Å; E556-Y574 HydrophobicContact CG-CE1 3.55Å
557	Y	96.8	Very high	96.5	Very high	38 Å²	38	39.1 Å²	39.1	15%	0.149	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.5	-176.6	-62.6	-82.2	0	0	0	110.9	V533 I536 L552 N553 T572 C573 V575	V533-Y557 HydrophobicContact CG1-CD1 3.56Å; V533-Y557 HydrophobicContact CG1-CE1 4.43Å; V533-Y557 HydrophobicContact CG1-CG 4.18Å; I536-Y557 HydrophobicContact CD1-CE1 4.22Å; L552-Y557 HydrophobicContact CB-CE2 3.96Å; L552-Y557 HydrophobicContact CD1-CD1 4.08Å; L552-Y557 HydrophobicContact CD1-CD2 3.79Å; L552-Y557 HydrophobicContact CD1-CE1 4.25Å; L552-Y557 HydrophobicContact CD1-CE2 3.97Å; L552-Y557 HydrophobicContact CD1-CG 3.83Å; L552-Y557 HydrophobicContact CD2-CD1 4.48Å; L552-Y557 HydrophobicContact CD2-CE1 4.05Å; L552-Y557 HydrophobicContact CG-CE2 4.42Å; N553-Y557 VanDerWaalsContact O-CE2 3.28Å; N553-Y557 WeakPolarHBondContact O-CE2 3.23Å; N553-Y557 PolarHBondContact O-OH 2.98Å; Y557-T572 WeakPolarHBondContact O-CA 3.38Å; Y557-C573 PolarHBondContact N-O 3.26Å; Y557-C573 PolarHBondContact O-N 3.27Å; Y557-C573 VanDerWaalsContact O-O 3.13Å; Y557-V575 HydrophobicContact CD2-CB 4.43Å; Y557-V575 HydrophobicContact CD2-CG2 3.75Å; Y557-V575 HydrophobicContact CE2-CB 4.13Å; Y557-V575 HydrophobicContact CE2-CG2 3.77Å
558	R	97.6	Very high	96.4	Very high	123 Å²	123	43.1 Å²	43.1	46%	0.464	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	112	170.8	-176.9	158.6	166.9	-134.1	4.5	109.8	E534	E534-R558 HydrophobicContact CB-CB 4.24Å; E534-R558 VanDerWaalsContact CD-CG 3.49Å; E534-R558 HydrophobicContact CG-CB 4.06Å; E534-R558 HydrophobicContact CG-CG 4.2Å; E534-R558 WeakPolarHBondContact CG-O 3.5Å; E534-R558 PolarHBondContact N-O 3.1Å; E534-R558 WeakPolarHBondContact OE1-CD 3.31Å; E534-R558 WeakPolarHBondContact OE1-CG 3.21Å; E534-R558 IonicContact OE1-CZ 3.47Å; E534-R558 IonicContact OE1-NE 2.7Å; E534-R558 PolarHBondContact OE1-NE 3.48Å; E534-R558 IonicContact OE1-NH1 2.75Å; E534-R558 PolarHBondContact OE1-NH1 2.81Å; E534-R558 IonicContact OE1-NH2 3.55Å; E534-R558 WeakPolarHBondContact OE2-CB 3.33Å; E534-R558 VanDerWaalsContact OE2-CD 3.25Å; E534-R558 WeakPolarHBondContact OE2-CD 3.11Å; E534-R558 IonicContact OE2-CZ 3.56Å; E534-R558 IonicContact OE2-NE 3.78Å; E534-R558 IonicContact OE2-NH1 3.06Å; E534-R558 PolarHBondContact OE2-NH1 2.87Å
559	L	97.6	Very high	96.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	137.2	-180	-82.9	68.2	0	0	0	109.5	I513 I531 K532 V533 Y548 S570 R571 C573 F586	I513-L559 HydrophobicContact CD1-CD1 3.62Å; I513-L559 HydrophobicContact CD1-CD2 4.01Å; I513-L559 HydrophobicContact CD1-CG 4.48Å; I513-L559 HydrophobicContact CG2-CD2 4.17Å; I531-L559 HydrophobicContact CG2-CD2 3.89Å; I531-L559 HydrophobicContact CG2-CG 4.33Å; K532-L559 CarbonylContact O-C 3.55Å; K532-L559 VanDerWaalsContact O-CA 3.28Å; K532-L559 WeakPolarHBondContact O-CA 3.3Å; V533-L559 HydrophobicContact CG2-CD1 4.37Å; V533-L559 HydrophobicContact CG2-CG 4.28Å; Y548-L559 HydrophobicContact CE2-CD2 4.43Å; L559-S570 CarbonylContact O-C 3.53Å; L559-S570 WeakPolarHBondContact O-CA 3.44Å; L559-R571 PolarHBondContact N-O 2.86Å; L559-R571 PolarHBondContact O-N 2.67Å; L559-C573 HydrophobicContact CD1-CB 4.26Å; L559-F586 HydrophobicContact CB-CE2 4.45Å; L559-F586 HydrophobicContact CB-CZ 3.81Å; L559-F586 HydrophobicContact CD2-CE2 4.45Å
560	T	97.2	Very high	96.4	Very high	31 Å²	31	46.8 Å²	46.8	19%	0.19	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.8	169.4	-63.1	0	0	0	0	109.2	K532 P568 S569 S570	K532-T560 PolarHBondContact N-O 3.08Å; K532-T560 PolarHBondContact O-N 2.79Å; T560-P568 HydrophobicContact CG2-CB 4.45Å; T560-S569 WeakPolarHBondContact CA-O 3.25Å; T560-S570 WeakPolarHBondContact CG2-OG 3.41Å; T560-S570 WeakPolarHBondContact OG1-CB 3.49Å; T560-S570 PolarHBondContact OG1-OG 2.73Å
561	V	97.7	Very high	96.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.9	178.1	176.9	0	0	0	0	109.8	I517 A529 I530 I531 P568 S569 F586 L588	I517-V561 HydrophobicContact CD1-CG1 3.54Å; I517-V561 HydrophobicContact CD1-CG2 4.21Å; I517-V561 HydrophobicContact CG1-CG1 4.06Å; I517-V561 HydrophobicContact CG2-CG1 3.89Å; A529-V561 HydrophobicContact CB-CG1 4.24Å; I530-V561 WeakPolarHBondContact O-CA 3.28Å; I531-V561 HydrophobicContact CG1-CG2 4.08Å; I531-V561 HydrophobicContact CG2-CG2 4.28Å; V561-P568 CarbonylContact O-C 3.27Å; V561-P568 WeakPolarHBondContact O-CA 3.29Å; V561-S569 PolarHBondContact N-O 3.21Å; V561-S569 PolarHBondContact O-N 2.94Å; V561-F586 HydrophobicContact CB-CD1 3.96Å; V561-F586 HydrophobicContact CB-CE1 4.3Å; V561-F586 HydrophobicContact CB-CG 4.1Å; V561-F586 HydrophobicContact CG2-CB 4.34Å; V561-F586 HydrophobicContact CG2-CD1 3.68Å; V561-F586 HydrophobicContact CG2-CD2 3.58Å; V561-F586 HydrophobicContact CG2-CE1 3.76Å; V561-F586 HydrophobicContact CG2-CE2 3.67Å; V561-F586 HydrophobicContact CG2-CG 3.59Å; V561-F586 HydrophobicContact CG2-CZ 3.76Å; V561-L588 HydrophobicContact CB-CD2 4.43Å; V561-L588 HydrophobicContact CG1-CD1 3.97Å; V561-L588 HydrophobicContact CG1-CD2 4.13Å; V561-L588 HydrophobicContact CG1-CG 4.44Å
562	S	96.3	Very high	96.3	Very high	39 Å²	39	55 Å²	55	27%	0.273	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144.5	175.8	65.8	0	0	0	0	111.4	A529 I530	A529-S562 CarbonylContact C-O 3.11Å; A529-S562 WeakPolarHBondContact CA-O 3.37Å; I530-S562 PolarHBondContact N-O 2.98Å; I530-S562 PolarHBondContact O-N 3.08Å
563	A	96.4	Very high	96.3	Very high	15 Å²	15	55.1 Å²	55.1	12%	0.124	29%	0.29	C	S	.	.			trans	-146.2	150.6	178.7	0	0	0	0	0	110.1	I526 A529 G565 Y566 L588	I526-A563 HydrophobicContact CG2-CB 3.8Å; A529-A563 HydrophobicContact CB-CB 3.86Å; A563-G565 PolarHBondContact O-N 3.45Å; A563-Y566 HydrophobicContact CB-CD2 3.95Å; A563-Y566 HydrophobicContact CB-CG 4.38Å; A563-Y566 PolarHBondContact O-N 2.7Å; A563-Y566 VanDerWaalsContact O-N 3.08Å; A563-L588 HydrophobicContact CB-CD1 3.8Å
564	E	93.8	Very high	96.3	Very high	173 Å²	173	59.2 Å²	59.2	81%	0.808	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	124.3	-177.8	-163.5	-160.6	148.5	0	0	111.2	Y566	E564-Y566 VanDerWaalsContact C-N 3.33Å; E564-Y566 WeakPolarHBondContact O-CD2 3.32Å
565	G	93.2	Very high	96.2	Very high	19 Å²	19	58 Å²	58	20%	0.196	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	5.3	179.1	0	0	0	0	0	114.8	A563 T591 R594	A563-G565 PolarHBondContact O-N 3.45Å; G565-T591 WeakPolarHBondContact O-CB 3.34Å; G565-T591 WeakPolarHBondContact O-CG2 3.29Å; G565-T591 PolarHBondContact O-N 3.4Å; G565-T591 PolarHBondContact O-OG1 3.02Å; G565-R594 WeakPolarHBondContact O-CB 3.42Å
566	Y	96.4	Very high	96	Very high	36 Å²	36	61.5 Å²	61.5	14%	0.141	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	157.1	175.2	-69.9	-93.2	0	0	0	112.2	D519 I526 A563 E564 L588 T589 K590	D519-Y566 HydrophobicContact CB-CE1 4.28Å; D519-Y566 WeakPolarHBondContact OD2-CE1 3.32Å; D519-Y566 VanDerWaalsContact OD2-CZ 3.27Å; D519-Y566 PolarHBondContact OD2-OH 2.85Å; I526-Y566 HydrophobicContact CD1-CD1 3.91Å; I526-Y566 HydrophobicContact CD1-CD2 4.25Å; I526-Y566 HydrophobicContact CD1-CE1 3.52Å; I526-Y566 HydrophobicContact CD1-CE2 3.92Å; I526-Y566 HydrophobicContact CD1-CG 4.26Å; I526-Y566 HydrophobicContact CG1-CE2 4.46Å; I526-Y566 HydrophobicContact CG2-CE2 4.38Å; A563-Y566 HydrophobicContact CB-CD2 3.95Å; A563-Y566 HydrophobicContact CB-CG 4.38Å; A563-Y566 PolarHBondContact O-N 2.7Å; A563-Y566 VanDerWaalsContact O-N 3.08Å; E564-Y566 VanDerWaalsContact C-N 3.33Å; E564-Y566 WeakPolarHBondContact O-CD2 3.32Å; Y566-L588 HydrophobicContact CD1-CB 3.47Å; Y566-L588 VanDerWaalsContact CD1-CB 3.47Å; Y566-L588 HydrophobicContact CE1-CB 4.23Å; Y566-L588 HydrophobicContact CG-CB 3.97Å; Y566-L588 HydrophobicContact CG-CD1 4.28Å; Y566-T589 WeakPolarHBondContact CA-O 3.27Å; Y566-K590 HydrophobicContact CD1-CG 4.1Å; Y566-K590 HydrophobicContact CE1-CB 4.45Å; Y566-K590 HydrophobicContact CE1-CG 3.49Å; Y566-K590 VanDerWaalsContact CE1-CG 3.49Å; Y566-K590 VanDerWaalsContact OH-CE 3.3Å; Y566-K590 WeakPolarHBondContact OH-CE 3.45Å
567	F	96.2	Very high	95.5	Very high	109 Å²	109	64.7 Å²	64.7	48%	0.478	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	133.5	165.5	-70.6	-69.9	0	0	0	109.8	T589 T591	F567-T589 PolarHBondContact N-O 2.98Å; F567-T591 HydrophobicContact CD1-CG2 4.39Å; F567-T591 HydrophobicContact CD2-CG2 4.41Å; F567-T591 HydrophobicContact CE1-CG2 4.32Å; F567-T591 HydrophobicContact CE2-CG2 4.36Å; F567-T591 HydrophobicContact CG-CG2 4.44Å; F567-T591 HydrophobicContact CZ-CG2 4.31Å
568	P	96.5	Very high	94.7	Very high	84 Å²	84	66.4 Å²	66.4	55%	0.545	33%	0.326	S	S	.	.			trans	-58.6	150.3	174.3	-23.3	33.2	0	0	0	112.2	T560 V561	T560-P568 HydrophobicContact CG2-CB 4.45Å; V561-P568 CarbonylContact O-C 3.27Å; V561-P568 WeakPolarHBondContact O-CA 3.29Å
569	S	97.6	Very high	93.6	Very high	35 Å²	35	66.5 Å²	66.5	25%	0.245	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133.9	176.5	-174.9	0	0	0	0	109.6	T560 V561	T560-S569 WeakPolarHBondContact CA-O 3.25Å; V561-S569 PolarHBondContact N-O 3.21Å; V561-S569 PolarHBondContact O-N 2.94Å
570	S	97.4	Very high	93	Very high	55 Å²	55	71.4 Å²	71.4	39%	0.385	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	141.4	177.5	-50.9	0	0	0	0	110.8	L559 T560	L559-S570 CarbonylContact O-C 3.53Å; L559-S570 WeakPolarHBondContact O-CA 3.44Å; T560-S570 WeakPolarHBondContact CG2-OG 3.41Å; T560-S570 WeakPolarHBondContact OG1-CB 3.49Å; T560-S570 PolarHBondContact OG1-OG 2.73Å
571	R	95.9	Very high	92.7	Very high	122 Å²	122	70.8 Å²	70.8	46%	0.46	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	149	177.2	-67	-178.2	63.3	177.6	-1.5	110	L559 D585 F586	L559-R571 PolarHBondContact N-O 2.86Å; L559-R571 PolarHBondContact O-N 2.67Å; R571-D585 PolarHBondContact NH1-O 3.42Å; R571-F586 HydrophobicContact CB-CE1 3.79Å; R571-F586 HydrophobicContact CB-CZ 3.91Å; R571-F586 HydrophobicContact CG-CD1 4.3Å; R571-F586 HydrophobicContact CG-CE1 3.71Å; R571-F586 HydrophobicContact CG-CZ 4.28Å
572	T	97.1	Very high	92.6	Very high	57 Å²	57	72.5 Å²	72.5	35%	0.35	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131.2	167.6	-55	0	0	0	0	109.3	E556 Y557 Y574	E556-T572 HydrophobicContact CG-CG2 3.55Å; E556-T572 WeakPolarHBondContact OE1-CG2 3.14Å; Y557-T572 WeakPolarHBondContact O-CA 3.38Å; T572-Y574 HydrophobicContact CG2-CE1 4.22Å; T572-Y574 HydrophobicContact CG2-CE2 4.11Å
573	C	95.9	Very high	92.6	Very high	4 Å²	4	76.2 Å²	76.2	3%	0.027	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	147.4	174.7	-42	0	0	0	0	108	I513 Y557 L559 C584	I513-C573 HydrophobicContact CD1-CB 3.6Å; I513-C573 HydrophobicContact CG1-CB 4.31Å; Y557-C573 PolarHBondContact N-O 3.26Å; Y557-C573 PolarHBondContact O-N 3.27Å; Y557-C573 VanDerWaalsContact O-O 3.13Å; L559-C573 HydrophobicContact CD1-CB 4.26Å; C573-C584 HydrophobicContact CB-CB 3.86Å; C573-C584 WeakPolarHBondContact CB-SG 3.3Å; C573-C584 WeakPolarHBondContact SG-CB 3.33Å; C573-C584 CovalentContact SG-SG 2.04Å; C573-C584 PolarHBondContact SG-SG 2.91Å
574	Y	94.9	Very high	92.6	Very high	112 Å²	112	75.8 Å²	75.8	44%	0.439	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.4	-176.4	-61.2	-85.9	0	0	0	109.5	E556 T572 M576 T582	E556-Y574 HydrophobicContact CB-CD1 3.99Å; E556-Y574 HydrophobicContact CB-CE1 3.98Å; E556-Y574 HydrophobicContact CG-CD1 3.97Å; E556-Y574 HydrophobicContact CG-CE1 3.55Å; T572-Y574 HydrophobicContact CG2-CE1 4.22Å; T572-Y574 HydrophobicContact CG2-CE2 4.11Å; Y574-M576 HydrophobicContact CG-CE 4.35Å; Y574-T582 VanDerWaalsContact O-CB 3.23Å; Y574-T582 WeakPolarHBondContact O-CB 3.46Å; Y574-T582 VanDerWaalsContact O-CG2 3.28Å; Y574-T582 WeakPolarHBondContact O-CG2 3.32Å; Y574-T582 PolarHBondContact O-OG1 3.01Å
575	V	94.9	Very high	92.7	Very high	9 Å²	9	70.7 Å²	70.7	6%	0.055	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120.7	173.4	-177.3	0	0	0	0	108	I513 L552 N553 P554 G555 Y557	I513-V575 HydrophobicContact CD1-CG2 3.97Å; I513-V575 HydrophobicContact CG1-CG2 3.54Å; L552-V575 HydrophobicContact CB-CG2 4.1Å; L552-V575 HydrophobicContact CD1-CG2 4.34Å; N553-V575 WeakPolarHBondContact O-CB 3.43Å; N553-V575 WeakPolarHBondContact O-CG1 3.17Å; P554-V575 WeakPolarHBondContact CA-O 3.38Å; G555-V575 PolarHBondContact N-O 2.91Å; G555-V575 PolarHBondContact O-N 3.2Å; Y557-V575 HydrophobicContact CD2-CB 4.43Å; Y557-V575 HydrophobicContact CD2-CG2 3.75Å; Y557-V575 HydrophobicContact CE2-CB 4.13Å; Y557-V575 HydrophobicContact CE2-CG2 3.77Å
576	M	90.8	Very high	93	Very high	102 Å²	102	69.8 Å²	69.8	50%	0.502	34%	0.341	S	S	.	.			trans	-91.6	173.8	-177.9	-60.5	-59.4	168.3	0	0	110.9	Y574 D578	Y574-M576 HydrophobicContact CG-CE 4.35Å; M576-D578 WeakPolarHBondContact CB-OD1 3.36Å
577	Y	86.4	Confident	93	Very high	195 Å²	195	72.7 Å²	72.7	77%	0.765	36%	0.359	S	S	*	.	S	Bend	trans	-79.8	-6.6	176.7	-75.8	-84.7	0	0	0	113.6	P554	P554-Y577 HydrophobicContact CB-CD1 4.08Å; P554-Y577 HydrophobicContact CB-CD2 4.27Å; P554-Y577 HydrophobicContact CB-CE1 3.97Å; P554-Y577 HydrophobicContact CB-CE2 4.16Å; P554-Y577 HydrophobicContact CB-CG 4.23Å; P554-Y577 HydrophobicContact CG-CD1 3.74Å; P554-Y577 HydrophobicContact CG-CE1 3.89Å; P554-Y577 HydrophobicContact CG-CG 4.18Å
578	D	78.8	Confident	93.1	Very high	74 Å²	74	67.6 Å²	67.6	40%	0.396	34%	0.336	S	S	.	.	S	Bend	trans	-66.5	167.8	177	57.3	-4.3	0	0	0	111.7	M576 F580	M576-D578 WeakPolarHBondContact CB-OD1 3.36Å; D578-F580 PolarHBondContact O-N 3.24Å
579	H	74.6	Confident	93.1	Very high	125 Å²	125	66.2 Å²	66.2	58%	0.579	33%	0.326	S	S	*	.	S	Bend	trans	-87.3	10.1	-178.3	-63.1	89.4	0	0	0	112.3	H510	H510-H579 WeakPolarHBondContact CB-O 3.35Å
580	F	85.6	Confident	92.8	Very high	103 Å²	103	66.5 Å²	66.5	45%	0.452	32%	0.323	S	S	.	.	S	Bend	trans	-115.5	143.4	-176.6	-64.3	-71.1	0	0	0	110.4	H279 H510 D578	H279-F580 AromaticContact CE1-CE1 3.67Å; H279-F580 AromaticContact NE2-CE1 3.53Å; H510-F580 CarbonylContact O-C 3.52Å; D578-F580 PolarHBondContact O-N 3.24Å
581	P	90.6	Very high	92.6	Very high	18 Å²	18	65.2 Å²	65.2	12%	0.117	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-79.6	140.4	-178.2	31.5	-31.3	0	0	0	109.2	H510 G512 K514 I583	H510-P581 WeakPolarHBondContact O-CA 3.3Å; H510-P581 WeakPolarHBondContact O-CD 3.48Å; G512-P581 WeakPolarHBondContact O-CA 3.37Å; K514-P581 HydrophobicContact CB-CB 4.4Å; K514-P581 HydrophobicContact CD-CB 4.26Å; K514-P581 HydrophobicContact CD-CG 3.54Å; K514-P581 HydrophobicContact CG-CB 4.01Å; K514-P581 HydrophobicContact CG-CG 3.78Å; P581-I583 PolarHBondContact O-N 3.11Å
582	T	94.9	Very high	92.2	Very high	36 Å²	36	63 Å²	63	22%	0.221	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	127.5	175.1	-63.5	0	0	0	0	110	G512 I513 K514 Y574 C584	G512-T582 PolarHBondContact O-N 2.81Å; I513-T582 WeakPolarHBondContact CA-O 3.5Å; K514-T582 PolarHBondContact N-O 3.34Å; K514-T582 VanDerWaalsContact O-O 3.12Å; Y574-T582 VanDerWaalsContact O-CB 3.23Å; Y574-T582 WeakPolarHBondContact O-CB 3.46Å; Y574-T582 VanDerWaalsContact O-CG2 3.28Å; Y574-T582 WeakPolarHBondContact O-CG2 3.32Å; Y574-T582 PolarHBondContact O-OG1 3.01Å; T582-C584 PolarHBondContact O-N 2.93Å
583	I	95.9	Very high	91.6	Very high	118 Å²	118	70.6 Å²	70.6	61%	0.605	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	120.6	175.1	-58.3	175	0	0	0	109.8	K514 P581	K514-I583 CarbonylContact O-C 3.58Å; K514-I583 VanDerWaalsContact O-CA 3.24Å; K514-I583 WeakPolarHBondContact O-CA 3.41Å; P581-I583 PolarHBondContact O-N 3.11Å
584	C	96.4	Very high	91.1	Very high	5 Å²	5	75.2 Å²	75.2	3%	0.034	35%	0.353	C	S	.	.			trans	-132.4	81.2	178.1	-149.6	0	0	0	0	112.1	I513 K514 Y548 C573 T582 F586	I513-C584 HydrophobicContact CG2-CB 3.53Å; K514-C584 PolarHBondContact O-N 2.85Å; Y548-C584 PolarHBondContact OH-O 2.88Å; C573-C584 HydrophobicContact CB-CB 3.86Å; C573-C584 WeakPolarHBondContact CB-SG 3.3Å; C573-C584 WeakPolarHBondContact SG-CB 3.33Å; C573-C584 CovalentContact SG-SG 2.04Å; C573-C584 PolarHBondContact SG-SG 2.91Å; T582-C584 PolarHBondContact O-N 2.93Å; C584-F586 VanDerWaalsContact O-CD2 3.29Å; C584-F586 WeakPolarHBondContact O-CD2 3.41Å; C584-F586 WeakPolarHBondContact O-CE2 3.3Å
585	D	97.4	Very high	90.5	Very high	66 Å²	66	76.5 Å²	76.5	35%	0.353	36%	0.357	S	S	.	.			trans	-75.3	155	-178.8	-63.1	-30.9	0	0	0	113.8	G515 V516 R571	G515-D585 WeakPolarHBondContact CA-OD1 3.44Å; V516-D585 PolarHBondContact N-OD1 2.9Å; R571-D585 PolarHBondContact NH1-O 3.42Å
586	F	98.1	Very high	89.7	Confident	1 Å²	1	76.7 Å²	76.7	0%	0.004	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.9	175.7	-70.9	-98.3	0	0	0	111.9	V516 I517 R518 Y548 L559 V561 R571 C584	V516-F586 PolarHBondContact O-N 2.93Å; I517-F586 CarbonylContact C-O 3.54Å; I517-F586 WeakPolarHBondContact CA-O 3.48Å; I517-F586 HydrophobicContact CG1-CB 4.24Å; I517-F586 HydrophobicContact CG2-CB 4.4Å; R518-F586 PolarHBondContact N-O 2.93Å; Y548-F586 HydrophobicContact CE1-CD2 4.42Å; L559-F586 HydrophobicContact CB-CE2 4.45Å; L559-F586 HydrophobicContact CB-CZ 3.81Å; L559-F586 HydrophobicContact CD2-CE2 4.45Å; V561-F586 HydrophobicContact CB-CD1 3.96Å; V561-F586 HydrophobicContact CB-CE1 4.3Å; V561-F586 HydrophobicContact CB-CG 4.1Å; V561-F586 HydrophobicContact CG2-CB 4.34Å; V561-F586 HydrophobicContact CG2-CD1 3.68Å; V561-F586 HydrophobicContact CG2-CD2 3.58Å; V561-F586 HydrophobicContact CG2-CE1 3.76Å; V561-F586 HydrophobicContact CG2-CE2 3.67Å; V561-F586 HydrophobicContact CG2-CG 3.59Å; V561-F586 HydrophobicContact CG2-CZ 3.76Å; R571-F586 HydrophobicContact CB-CE1 3.79Å; R571-F586 HydrophobicContact CB-CZ 3.91Å; R571-F586 HydrophobicContact CG-CD1 4.3Å; R571-F586 HydrophobicContact CG-CE1 3.71Å; R571-F586 HydrophobicContact CG-CZ 4.28Å; C584-F586 VanDerWaalsContact O-CD2 3.29Å; C584-F586 WeakPolarHBondContact O-CD2 3.41Å; C584-F586 WeakPolarHBondContact O-CE2 3.3Å
587	N	97.6	Very high	89.3	Confident	97 Å²	97	78.6 Å²	78.6	52%	0.519	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	104.4	173.8	-71.5	-33.5	0	0	0	109.7	R518 K520	R518-N587 CarbonylContact O-C 3.55Å; R518-N587 WeakPolarHBondContact O-CA 3.49Å; K520-N587 HydrophobicContact CB-CB 4.35Å
588	L	97.3	Very high	89	Confident	1 Å²	1	71 Å²	71	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	141.4	-176.4	-56.8	-173.5	0	0	0	111.9	I517 R518 K520 I526 V561 A563 Y566	I517-L588 HydrophobicContact CG2-CD1 3.72Å; I517-L588 HydrophobicContact CG2-CG 3.87Å; R518-L588 PolarHBondContact O-N 3.04Å; K520-L588 VanDerWaalsContact CB-O 3.28Å; K520-L588 WeakPolarHBondContact CB-O 3.44Å; K520-L588 PolarHBondContact N-O 3.25Å; I526-L588 HydrophobicContact CD1-CB 3.88Å; I526-L588 HydrophobicContact CD1-CD1 3.93Å; I526-L588 HydrophobicContact CD1-CG 4.17Å; V561-L588 HydrophobicContact CB-CD2 4.43Å; V561-L588 HydrophobicContact CG1-CD1 3.97Å; V561-L588 HydrophobicContact CG1-CD2 4.13Å; V561-L588 HydrophobicContact CG1-CG 4.44Å; A563-L588 HydrophobicContact CB-CD1 3.8Å; Y566-L588 HydrophobicContact CD1-CB 3.47Å; Y566-L588 VanDerWaalsContact CD1-CB 3.47Å; Y566-L588 HydrophobicContact CE1-CB 4.23Å; Y566-L588 HydrophobicContact CG-CB 3.97Å; Y566-L588 HydrophobicContact CG-CD1 4.28Å
589	T	96.3	Very high	89	Confident	55 Å²	55	69.6 Å²	69.6	34%	0.337	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.2	177.7	-55.9	0	0	0	0	110.4	K520 Y566 F567	K520-T589 WeakPolarHBondContact CD-OG1 3.22Å; Y566-T589 WeakPolarHBondContact CA-O 3.27Å; F567-T589 PolarHBondContact N-O 2.98Å
590	K	92.9	Very high	89.1	Confident	41 Å²	41	68.6 Å²	68.6	18%	0.178	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	140.2	177.6	-69.1	-173.3	-173.5	-173	0	111.8	D519 Y566 R594 R595 D598	D519-K590 WeakPolarHBondContact OD2-CE 3.24Å; D519-K590 WeakPolarHBondContact OD2-CG 3.47Å; D519-K590 IonicContact OD2-NZ 3.66Å; Y566-K590 HydrophobicContact CD1-CG 4.1Å; Y566-K590 HydrophobicContact CE1-CB 4.45Å; Y566-K590 HydrophobicContact CE1-CG 3.49Å; Y566-K590 VanDerWaalsContact CE1-CG 3.49Å; Y566-K590 VanDerWaalsContact OH-CE 3.3Å; Y566-K590 WeakPolarHBondContact OH-CE 3.45Å; K590-R594 HydrophobicContact CD-CG 4.38Å; K590-R595 HydrophobicContact CB-CB 4.43Å; K590-D598 WeakPolarHBondContact CD-OD2 3.03Å; K590-D598 IonicContact NZ-OD2 3.78Å; K590-D598 PolarHBondContact NZ-OD2 3.04Å
591	T	92.1	Very high	88.7	Confident	29 Å²	29	68 Å²	68	18%	0.178	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-65.1	152.2	169.4	60.7	0	0	0	0	110.9	G565 F567 R593 R594 R595	G565-T591 WeakPolarHBondContact O-CB 3.34Å; G565-T591 WeakPolarHBondContact O-CG2 3.29Å; G565-T591 PolarHBondContact O-N 3.4Å; G565-T591 PolarHBondContact O-OG1 3.02Å; F567-T591 HydrophobicContact CD1-CG2 4.39Å; F567-T591 HydrophobicContact CD2-CG2 4.41Å; F567-T591 HydrophobicContact CE1-CG2 4.32Å; F567-T591 HydrophobicContact CE2-CG2 4.36Å; F567-T591 HydrophobicContact CG-CG2 4.44Å; F567-T591 HydrophobicContact CZ-CG2 4.31Å; T591-R593 PolarHBondContact O-N 2.59Å; T591-R593 VanDerWaalsContact O-N 3.12Å; T591-R594 PolarHBondContact O-N 3.3Å; T591-R594 VanDerWaalsContact O-N 3.08Å; T591-R594 WeakPolarHBondContact OG1-CB 3.4Å; T591-R594 PolarHBondContact OG1-N 2.85Å; T591-R595 WeakPolarHBondContact O-CB 3.25Å; T591-R595 PolarHBondContact O-N 2.62Å
592	P	87.6	Confident	88.2	Confident	74 Å²	74	75.8 Å²	75.8	48%	0.481	38%	0.375	S	S	.	.	H	α-helix	trans	-56	-33.5	177.7	-27	34.5	0	0	0	113.4	A596	P592-A596 WeakPolarHBondContact O-CB 3.35Å; P592-A596 PolarHBondContact O-N 3.2Å
593	R	84.3	Confident	86.9	Confident	217 Å²	217	77.5 Å²	77.5	82%	0.819	40%	0.399	S	S	*	.	H	α-helix	trans	-66.4	-46.5	176.5	-79.9	-176.8	166.3	178.7	-2	112.2	T591 A596 K597	T591-R593 PolarHBondContact O-N 2.59Å; T591-R593 VanDerWaalsContact O-N 3.12Å; R593-A596 PolarHBondContact O-N 2.99Å; R593-K597 PolarHBondContact O-N 2.9Å; R593-K597 VanDerWaalsContact O-N 3.1Å
594	R	86.4	Confident	85.7	Confident	102 Å²	102	73.3 Å²	73.3	39%	0.385	39%	0.386	S	S	.	.	H	α-helix	trans	-66.6	-46.2	178.1	-173	66.3	-176.3	-151.1	-0.9	110.8	G565 K590 T591 A596 K597 D598	G565-R594 WeakPolarHBondContact O-CB 3.42Å; K590-R594 HydrophobicContact CD-CG 4.38Å; T591-R594 PolarHBondContact O-N 3.3Å; T591-R594 VanDerWaalsContact O-N 3.08Å; T591-R594 WeakPolarHBondContact OG1-CB 3.4Å; T591-R594 PolarHBondContact OG1-N 2.85Å; R594-A596 VanDerWaalsContact C-N 3.28Å; R594-A596 PolarHBondContact O-N 2.61Å; R594-K597 WeakPolarHBondContact O-CB 3.31Å; R594-K597 PolarHBondContact O-N 3.13Å; R594-D598 IonicContact NE-OD1 3.11Å; R594-D598 PolarHBondContact O-N 2.81Å
595	R	82.1	Confident	84.3	Confident	138 Å²	138	82.2 Å²	82.2	52%	0.521	42%	0.424	S	S	.	.	H	α-helix	trans	-56.5	-41.2	175.9	-166.5	173.9	-176.6	169.4	4.7	112.4	K590 T591 D598 I599	K590-R595 HydrophobicContact CB-CB 4.43Å; T591-R595 WeakPolarHBondContact O-CB 3.25Å; T591-R595 PolarHBondContact O-N 2.62Å; R595-D598 PolarHBondContact O-N 2.83Å; R595-I599 HydrophobicContact CG-CD1 4.21Å; R595-I599 WeakPolarHBondContact O-CD1 3.19Å; R595-I599 VanDerWaalsContact O-CG1 3.24Å; R595-I599 WeakPolarHBondContact O-CG1 3.4Å; R595-I599 PolarHBondContact O-N 2.87Å
596	A	78.1	Confident	82.8	Confident	14 Å²	14	80.3 Å²	80.3	12%	0.116	41%	0.413	C	S	.	.	H	α-helix	trans	-63.1	-44.5	174.5	0	0	0	0	0	113.2	P592 R593 R594 L600 L606 L610	P592-A596 WeakPolarHBondContact O-CB 3.35Å; P592-A596 PolarHBondContact O-N 3.2Å; R593-A596 PolarHBondContact O-N 2.99Å; R594-A596 VanDerWaalsContact C-N 3.28Å; R594-A596 PolarHBondContact O-N 2.61Å; A596-L600 WeakPolarHBondContact O-CG 3.37Å; A596-L600 PolarHBondContact O-N 2.84Å; A596-L600 VanDerWaalsContact O-N 3.13Å; A596-L606 HydrophobicContact CB-CD2 3.6Å; A596-L610 HydrophobicContact CB-CD2 4.06Å
597	K	81.9	Confident	81.5	Confident	141 Å²	141	82.9 Å²	82.9	61%	0.613	43%	0.43	S	S	*	.	H	α-helix	trans	-60.9	-44.9	175.7	-77.5	-174.6	175.5	-175.7	0	111.3	R593 R594 I599 L600 A601	R593-K597 PolarHBondContact O-N 2.9Å; R593-K597 VanDerWaalsContact O-N 3.1Å; R594-K597 WeakPolarHBondContact O-CB 3.31Å; R594-K597 PolarHBondContact O-N 3.13Å; K597-I599 PolarHBondContact O-N 2.97Å; K597-L600 PolarHBondContact O-N 3.22Å; K597-A601 WeakPolarHBondContact O-CB 3.32Å; K597-A601 PolarHBondContact O-N 2.82Å
598	D	80.6	Confident	80	Confident	36 Å²	36	86.6 Å²	86.6	19%	0.193	44%	0.442	C	S	.	.	H	α-helix	trans	-65.6	-40.4	-178.5	-64.1	-7.2	0	0	0	112.1	K590 R594 R595 L600 A601 K602	K590-D598 WeakPolarHBondContact CD-OD2 3.03Å; K590-D598 IonicContact NZ-OD2 3.78Å; K590-D598 PolarHBondContact NZ-OD2 3.04Å; R594-D598 IonicContact NE-OD1 3.11Å; R594-D598 PolarHBondContact O-N 2.81Å; R595-D598 PolarHBondContact O-N 2.83Å; D598-L600 VanDerWaalsContact C-N 3.35Å; D598-A601 PolarHBondContact O-N 3.22Å; D598-K602 WeakPolarHBondContact O-CG 3.33Å; D598-K602 PolarHBondContact O-N 2.83Å
599	I	78.1	Confident	78.6	Confident	45 Å²	45	91.1 Å²	91.1	23%	0.231	47%	0.466	C	S	.	.	H	α-helix	trans	-61.2	-45.1	175	-70.9	166.7	0	0	0	110.6	R595 K597 K602 G603 G604 P607	R595-I599 HydrophobicContact CG-CD1 4.21Å; R595-I599 WeakPolarHBondContact O-CD1 3.19Å; R595-I599 VanDerWaalsContact O-CG1 3.24Å; R595-I599 WeakPolarHBondContact O-CG1 3.4Å; R595-I599 PolarHBondContact O-N 2.87Å; K597-I599 PolarHBondContact O-N 2.97Å; I599-K602 PolarHBondContact O-N 2.8Å; I599-G603 PolarHBondContact O-N 3.15Å; I599-G604 WeakPolarHBondContact O-CA 3.42Å; I599-G604 PolarHBondContact O-N 3.04Å; I599-P607 HydrophobicContact CD1-CG 4.44Å
600	L	76.1	Confident	77.2	Confident	103 Å²	103	90.6 Å²	90.6	54%	0.539	46%	0.461	S	S	.	.	H	α-helix	trans	-64.9	-41.3	177.8	-73.5	170	0	0	0	112	A596 K597 D598 K602 G603 L606	A596-L600 WeakPolarHBondContact O-CG 3.37Å; A596-L600 PolarHBondContact O-N 2.84Å; A596-L600 VanDerWaalsContact O-N 3.13Å; K597-L600 PolarHBondContact O-N 3.22Å; D598-L600 VanDerWaalsContact C-N 3.35Å; L600-K602 VanDerWaalsContact C-N 3.29Å; L600-K602 PolarHBondContact O-N 2.99Å; L600-G603 PolarHBondContact O-N 2.87Å; L600-G603 VanDerWaalsContact O-N 3.11Å; L600-L606 HydrophobicContact CD1-CD1 3.99Å; L600-L606 HydrophobicContact CD2-CD1 3.91Å; L600-L606 HydrophobicContact CD2-CG 4.32Å; L600-L606 HydrophobicContact CG-CD1 4.04Å; L600-L606 HydrophobicContact CG-CG 4.3Å
601	A	77.9	Confident	76	Confident	90 Å²	90	93 Å²	93	74%	0.744	47%	0.473	S	S	*	.	H	α-helix	trans	-64.3	-33.1	177.8	0	0	0	0	0	112.5	K597 D598 G603	K597-A601 WeakPolarHBondContact O-CB 3.32Å; K597-A601 PolarHBondContact O-N 2.82Å; D598-A601 PolarHBondContact O-N 3.22Å; A601-G603 PolarHBondContact O-N 2.99Å
602	K	79.6	Confident	74.9	Confident	182 Å²	182	96.6 Å²	96.6	79%	0.791	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	9.7	174.5	-67.9	-176.1	178.4	-172.7	0	114	D598 I599 L600 G604	D598-K602 WeakPolarHBondContact O-CG 3.33Å; D598-K602 PolarHBondContact O-N 2.83Å; I599-K602 PolarHBondContact O-N 2.8Å; L600-K602 VanDerWaalsContact C-N 3.29Å; L600-K602 PolarHBondContact O-N 2.99Å; K602-G604 PolarHBondContact O-N 2.93Å
603	G	69.3	Low	74.2	Confident	72 Å²	72	101.4 Å²	101.4	74%	0.742	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	9.7	-178.9	0	0	0	0	0	114.7	I599 L600 A601	I599-G603 PolarHBondContact O-N 3.15Å; L600-G603 PolarHBondContact O-N 2.87Å; L600-G603 VanDerWaalsContact O-N 3.11Å; A601-G603 PolarHBondContact O-N 2.99Å
604	G	69.8	Low	73.5	Confident	31 Å²	31	95 Å²	95	32%	0.32	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-78.1	148.9	179.1	0	0	0	0	0	112.7	I599 K602	I599-G604 WeakPolarHBondContact O-CA 3.42Å; I599-G604 PolarHBondContact O-N 3.04Å; K602-G604 PolarHBondContact O-N 2.93Å
605	K	67.3	Low	72.7	Confident	191 Å²	191	98.9 Å²	98.9	83%	0.83	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-80	129.7	171.2	-70.4	-177.7	-178.4	174.8	0	109.6
606	L	66.6	Low	72.4	Confident	26 Å²	26	98.8 Å²	98.8	14%	0.136	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-50.8	140.6	172.3	-86.3	151.4	0	0	0	111.2	A596 L600 L610 Q611 L614	A596-L606 HydrophobicContact CB-CD2 3.6Å; L600-L606 HydrophobicContact CD1-CD1 3.99Å; L600-L606 HydrophobicContact CD2-CD1 3.91Å; L600-L606 HydrophobicContact CD2-CG 4.32Å; L600-L606 HydrophobicContact CG-CD1 4.04Å; L600-L606 HydrophobicContact CG-CG 4.3Å; L606-L610 HydrophobicContact CD2-CD2 3.66Å; L606-Q611 HydrophobicContact CB-CG 3.73Å; L606-Q611 PolarHBondContact O-NE2 2.76Å; L606-L614 HydrophobicContact CD1-CD1 4.45Å
607	P	69.7	Low	72.3	Confident	55 Å²	55	103.3 Å²	103.3	36%	0.357	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-50.7	139.5	173.7	-28.4	36.7	0	0	0	112.3	I599 D609 L610 Q611	I599-P607 HydrophobicContact CD1-CG 4.44Å; P607-D609 VanDerWaalsContact C-N 3.25Å; P607-D609 WeakPolarHBondContact CB-OD1 3.45Å; P607-D609 PolarHBondContact O-N 3.18Å; P607-L610 HydrophobicContact CB-CB 4.43Å; P607-L610 PolarHBondContact O-N 2.8Å; P607-Q611 PolarHBondContact O-N 3.04Å
608	K	66.4	Low	72.1	Confident	176 Å²	176	106 Å²	106	77%	0.765	53%	0.528	S	S	*	.	H	α-helix	trans	-57.3	-37.1	-172.4	-80.7	-176.4	177.3	177	0	112.7	Q611 L612	K608-Q611 PolarHBondContact O-N 3.21Å; K608-L612 WeakPolarHBondContact O-CB 3.47Å; K608-L612 WeakPolarHBondContact O-CD1 3.36Å; K608-L612 WeakPolarHBondContact O-CG 3.29Å; K608-L612 PolarHBondContact O-N 2.92Å
609	D	68.6	Low	71.7	Confident	96 Å²	96	108.9 Å²	108.9	51%	0.513	54%	0.542	S	S	.	.	H	α-helix	trans	-63.2	-41.4	175.1	62.8	-49	0	0	0	112.5	P607 L612 R613	P607-D609 VanDerWaalsContact C-N 3.25Å; P607-D609 WeakPolarHBondContact CB-OD1 3.45Å; P607-D609 PolarHBondContact O-N 3.18Å; D609-L612 PolarHBondContact O-N 2.7Å; D609-R613 PolarHBondContact O-N 3.46Å
610	L	66.3	Low	71.8	Confident	43 Å²	43	115.6 Å²	115.6	23%	0.225	56%	0.564	C	S	.	*	H	α-helix	trans	-71.1	-38.2	177.4	-131.9	112.2	0	0	0	111.6	A596 L606 P607 L612 R613 L614	A596-L610 HydrophobicContact CB-CD2 4.06Å; L606-L610 HydrophobicContact CD2-CD2 3.66Å; P607-L610 HydrophobicContact CB-CB 4.43Å; P607-L610 PolarHBondContact O-N 2.8Å; L610-L612 VanDerWaalsContact C-N 3.34Å; L610-R613 PolarHBondContact O-N 2.95Å; L610-L614 HydrophobicContact CD2-CD1 4.35Å; L610-L614 WeakPolarHBondContact O-CB 2.92Å; L610-L614 WeakPolarHBondContact O-CG 3.19Å; L610-L614 PolarHBondContact O-N 2.97Å
611	Q	66.8	Low	71.8	Confident	91 Å²	91	118.8 Å²	118.8	43%	0.425	57%	0.574	S	S	.	*	H	α-helix	trans	-61.2	-42.9	172.6	-67	-176.6	10	0	0	111.6	L606 P607 K608 L614 R615	L606-Q611 HydrophobicContact CB-CG 3.73Å; L606-Q611 PolarHBondContact O-NE2 2.76Å; P607-Q611 PolarHBondContact O-N 3.04Å; K608-Q611 PolarHBondContact O-N 3.21Å; Q611-L614 PolarHBondContact O-N 3.47Å; Q611-R615 VanDerWaalsContact O-CB 3.32Å; Q611-R615 WeakPolarHBondContact O-CB 3.46Å; Q611-R615 PolarHBondContact O-N 2.86Å
612	L	70.1	Confident	71.7	Confident	105 Å²	105	119.4 Å²	119.4	55%	0.55	56%	0.564	S	S	.	*	H	α-helix	trans	-62.8	-45.6	176	-82.3	159.5	0	0	0	111.9	K608 D609 L610 R615 Q616	K608-L612 WeakPolarHBondContact O-CB 3.47Å; K608-L612 WeakPolarHBondContact O-CD1 3.36Å; K608-L612 WeakPolarHBondContact O-CG 3.29Å; K608-L612 PolarHBondContact O-N 2.92Å; D609-L612 PolarHBondContact O-N 2.7Å; L610-L612 VanDerWaalsContact C-N 3.34Å; L612-R615 PolarHBondContact O-N 3.19Å; L612-Q616 WeakPolarHBondContact O-CG 3.32Å; L612-Q616 PolarHBondContact O-N 3.09Å
613	R	71.7	Confident	71.7	Confident	175 Å²	175	119.4 Å²	119.4	66%	0.66	56%	0.559	S	S	*	*	H	α-helix	trans	-63.3	-43.3	175.8	-82.4	-178.1	172.3	179.4	-1.1	112.7	D609 L610 R615 Q616 L617	D609-R613 PolarHBondContact O-N 3.46Å; L610-R613 PolarHBondContact O-N 2.95Å; R613-R615 VanDerWaalsContact C-N 3.31Å; R613-R615 PolarHBondContact O-N 2.97Å; R613-Q616 PolarHBondContact O-N 3.07Å; R613-L617 PolarHBondContact O-N 3.08Å
614	L	69.9	Low	72.3	Confident	82 Å²	82	120.8 Å²	120.8	43%	0.429	55%	0.553	S	S	.	*	H	α-helix	trans	-63.3	-38	175.8	-76.5	168.6	0	0	0	111.8	L606 L610 Q611 L617 R618	L606-L614 HydrophobicContact CD1-CD1 4.45Å; L610-L614 HydrophobicContact CD2-CD1 4.35Å; L610-L614 WeakPolarHBondContact O-CB 2.92Å; L610-L614 WeakPolarHBondContact O-CG 3.19Å; L610-L614 PolarHBondContact O-N 2.97Å; Q611-L614 PolarHBondContact O-N 3.47Å; L614-L617 PolarHBondContact O-N 2.89Å; L614-R618 WeakPolarHBondContact O-CB 3.49Å; L614-R618 PolarHBondContact O-N 3Å
615	R	70.9	Confident	72.7	Confident	184 Å²	184	122.3 Å²	122.3	69%	0.694	56%	0.559	S	S	*	*	H	α-helix	trans	-65	-43	174.5	-167.9	176.1	-177.9	-177.5	0.4	111.6	Q611 L612 R613 R618 M619	Q611-R615 VanDerWaalsContact O-CB 3.32Å; Q611-R615 WeakPolarHBondContact O-CB 3.46Å; Q611-R615 PolarHBondContact O-N 2.86Å; L612-R615 PolarHBondContact O-N 3.19Å; R613-R615 VanDerWaalsContact C-N 3.31Å; R613-R615 PolarHBondContact O-N 2.97Å; R615-R618 PolarHBondContact O-N 3.2Å; R615-M619 WeakPolarHBondContact O-CB 3.46Å; R615-M619 VanDerWaalsContact O-CG 3.3Å; R615-M619 WeakPolarHBondContact O-CG 3.45Å; R615-M619 PolarHBondContact O-N 3.46Å
616	Q	75.8	Confident	73.2	Confident	136 Å²	136	116.3 Å²	116.3	64%	0.636	54%	0.538	S	S	*	.	H	α-helix	trans	-62.6	-43.8	174.5	-76.5	179.4	-11.9	0	0	112.2	L612 R613 M619 R620	L612-Q616 WeakPolarHBondContact O-CG 3.32Å; L612-Q616 PolarHBondContact O-N 3.09Å; R613-Q616 PolarHBondContact O-N 3.07Å; Q616-M619 PolarHBondContact O-N 3.08Å; Q616-R620 WeakPolarHBondContact O-CB 3.43Å; Q616-R620 PolarHBondContact O-N 2.01Å
617	L	75.4	Confident	74	Confident	109 Å²	109	121.8 Å²	121.8	57%	0.571	56%	0.561	S	S	*	*	H	α-helix	trans	-63.5	-43.6	176.4	-79.1	164.7	0	0	0	112.2	R613 L614 M619 R620 K621	R613-L617 PolarHBondContact O-N 3.08Å; L614-L617 PolarHBondContact O-N 2.89Å; L617-M619 PolarHBondContact O-N 2.92Å; L617-R620 PolarHBondContact O-N 2.77Å; L617-K621 PolarHBondContact O-N 2.67Å
618	R	76.6	Confident	74.3	Confident	197 Å²	197	121.2 Å²	121.2	74%	0.743	56%	0.561	S	S	*	*	H	α-helix	trans	-58.6	-46.5	173.2	-86.6	-177.5	172.6	176.3	-1.7	111.5	L614 R615 R620 K621 L622	L614-R618 WeakPolarHBondContact O-CB 3.49Å; L614-R618 PolarHBondContact O-N 3Å; R615-R618 PolarHBondContact O-N 3.2Å; R618-R620 VanDerWaalsContact C-N 3.31Å; R618-R620 PolarHBondContact O-N 2.57Å; R618-K621 PolarHBondContact O-N 3.26Å; R618-L622 WeakPolarHBondContact O-CB 3.16Å; R618-L622 PolarHBondContact O-N 3.37Å
619	M	73.7	Confident	74.9	Confident	98 Å²	98	116.5 Å²	116.5	48%	0.483	54%	0.543	S	S	.	.	H	α-helix	trans	-61.6	-37.8	176.6	-74.4	-66	-72.4	0	0	112.3	R615 Q616 L617 R623	R615-M619 WeakPolarHBondContact O-CB 3.46Å; R615-M619 VanDerWaalsContact O-CG 3.3Å; R615-M619 WeakPolarHBondContact O-CG 3.45Å; R615-M619 PolarHBondContact O-N 3.46Å; Q616-M619 PolarHBondContact O-N 3.08Å; L617-M619 PolarHBondContact O-N 2.92Å; M619-R623 WeakPolarHBondContact O-CB 3.3Å; M619-R623 WeakPolarHBondContact O-CG 3.49Å; M619-R623 PolarHBondContact O-N 2.75Å
620	R	79	Confident	75.3	Confident	185 Å²	185	116 Å²	116	70%	0.698	54%	0.54	S	S	*	.	H	α-helix	trans	-68.2	-43.4	177.1	-153.2	176.1	-174.7	-176.2	1.1	111.5	Q616 L617 R618 R623 V624	Q616-R620 WeakPolarHBondContact O-CB 3.43Å; Q616-R620 PolarHBondContact O-N 2.01Å; L617-R620 PolarHBondContact O-N 2.77Å; R618-R620 VanDerWaalsContact C-N 3.31Å; R618-R620 PolarHBondContact O-N 2.57Å; R620-R623 PolarHBondContact O-N 2.78Å; R620-V624 WeakPolarHBondContact O-CG2 3.45Å; R620-V624 PolarHBondContact O-N 2.68Å
621	K	77.6	Confident	76	Confident	170 Å²	170	119.9 Å²	119.9	74%	0.739	56%	0.558	S	S	*	*	H	α-helix	trans	-63.8	-41.8	175.9	-138.4	-177.2	-173.2	-173.6	0	111.6	L617 R618 V624 S625	L617-K621 PolarHBondContact O-N 2.67Å; R618-K621 PolarHBondContact O-N 3.26Å; K621-V624 PolarHBondContact O-N 3.01Å; K621-S625 WeakPolarHBondContact O-CB 3.2Å; K621-S625 PolarHBondContact O-N 2.91Å
622	L	75.7	Confident	76.6	Confident	104 Å²	104	125 Å²	125	55%	0.545	57%	0.573	S	S	.	*	H	α-helix	trans	-58.5	-49.1	171.3	-99.9	148.2	0	0	0	111.4	R618 V624 S625 T626	R618-L622 WeakPolarHBondContact O-CB 3.16Å; R618-L622 PolarHBondContact O-N 3.37Å; L622-V624 VanDerWaalsContact C-N 3.32Å; L622-V624 PolarHBondContact O-N 2.76Å; L622-S625 PolarHBondContact O-N 3Å; L622-T626 WeakPolarHBondContact O-CB 3.42Å; L622-T626 PolarHBondContact O-N 3.48Å; L622-T626 PolarHBondContact O-OG1 3.3Å
623	R	79.7	Confident	76.9	Confident	182 Å²	182	128.3 Å²	128.3	69%	0.687	58%	0.578	S	S	*	*	H	α-helix	trans	-58.8	-41.1	177.2	-77.2	176.4	179.2	-177.9	0	112.8	M619 R620 K627	M619-R623 WeakPolarHBondContact O-CB 3.3Å; M619-R623 WeakPolarHBondContact O-CG 3.49Å; M619-R623 PolarHBondContact O-N 2.75Å; R620-R623 PolarHBondContact O-N 2.78Å; R623-K627 VanDerWaalsContact O-CB 3.27Å; R623-K627 WeakPolarHBondContact O-CB 3.47Å; R623-K627 PolarHBondContact O-N 2.81Å
624	V	80.3	Confident	77	Confident	100 Å²	100	122.6 Å²	122.6	61%	0.606	57%	0.568	S	S	*	*	H	α-helix	trans	-66.2	-46.1	176.9	173.6	0	0	0	0	111.1	R620 K621 L622 K627 A628	R620-V624 WeakPolarHBondContact O-CG2 3.45Å; R620-V624 PolarHBondContact O-N 2.68Å; K621-V624 PolarHBondContact O-N 3.01Å; L622-V624 VanDerWaalsContact C-N 3.32Å; L622-V624 PolarHBondContact O-N 2.76Å; V624-K627 PolarHBondContact O-N 2.75Å; V624-A628 PolarHBondContact O-N 2.96Å
625	S	78.4	Confident	77.2	Confident	64 Å²	64	121.6 Å²	121.6	45%	0.448	57%	0.572	S	S	.	*	H	α-helix	trans	-62.5	-45.4	177.5	-171.5	0	0	0	0	111.8	K621 L622 K627 A628 I629	K621-S625 WeakPolarHBondContact O-CB 3.2Å; K621-S625 PolarHBondContact O-N 2.91Å; L622-S625 PolarHBondContact O-N 3Å; S625-K627 VanDerWaalsContact C-N 3.34Å; S625-K627 PolarHBondContact O-N 3.13Å; S625-A628 PolarHBondContact O-N 3.08Å; S625-I629 VanDerWaalsContact O-CG1 3.32Å; S625-I629 WeakPolarHBondContact O-CG1 3.23Å; S625-I629 PolarHBondContact O-N 3.19Å
626	T	78.4	Confident	77.3	Confident	64 Å²	64	115.6 Å²	115.6	39%	0.393	56%	0.561	S	S	.	*	H	α-helix	trans	-62.5	-39.2	175.3	-55.9	0	0	0	0	111.8	L622 I629 N630	L622-T626 WeakPolarHBondContact O-CB 3.42Å; L622-T626 PolarHBondContact O-N 3.48Å; L622-T626 PolarHBondContact O-OG1 3.3Å; T626-I629 PolarHBondContact O-N 3.34Å; T626-N630 VanDerWaalsContact O-CB 3.29Å; T626-N630 WeakPolarHBondContact O-CB 3.29Å; T626-N630 PolarHBondContact O-N 3.26Å; T626-N630 PolarHBondContact O-ND2 2.81Å
627	K	82.1	Confident	77.1	Confident	141 Å²	141	116.9 Å²	116.9	61%	0.613	57%	0.565	S	S	*	*	H	α-helix	trans	-63.5	-43.3	175.2	-169.2	177.5	-178.5	-177.6	0	111.4	R623 V624 S625 N630 Q631	R623-K627 VanDerWaalsContact O-CB 3.27Å; R623-K627 WeakPolarHBondContact O-CB 3.47Å; R623-K627 PolarHBondContact O-N 2.81Å; V624-K627 PolarHBondContact O-N 2.75Å; S625-K627 VanDerWaalsContact C-N 3.34Å; S625-K627 PolarHBondContact O-N 3.13Å; K627-N630 PolarHBondContact O-N 2.79Å; K627-Q631 WeakPolarHBondContact O-CB 3.23Å; K627-Q631 WeakPolarHBondContact O-CG 3.3Å; K627-Q631 PolarHBondContact O-N 3.45Å
628	A	76.3	Confident	76.7	Confident	43 Å²	43	121.6 Å²	121.6	36%	0.355	58%	0.575	S	S	.	*	H	α-helix	trans	-65.2	-42.2	176.6	0	0	0	0	0	112.4	V624 S625 Q631 R632	V624-A628 PolarHBondContact O-N 2.96Å; S625-A628 PolarHBondContact O-N 3.08Å; A628-Q631 PolarHBondContact O-N 2.86Å; A628-R632 WeakPolarHBondContact O-CG 3.44Å; A628-R632 PolarHBondContact O-N 2.86Å
629	I	78.7	Confident	76.1	Confident	78 Å²	78	115.7 Å²	115.7	40%	0.4	57%	0.569	S	S	.	*	H	α-helix	trans	-63.2	-43	175	-70	166.8	0	0	0	110.8	S625 T626 R632 R633	S625-I629 VanDerWaalsContact O-CG1 3.32Å; S625-I629 WeakPolarHBondContact O-CG1 3.23Å; S625-I629 PolarHBondContact O-N 3.19Å; T626-I629 PolarHBondContact O-N 3.34Å; I629-R632 PolarHBondContact O-N 2.91Å; I629-R633 WeakPolarHBondContact O-CG 3.27Å; I629-R633 PolarHBondContact O-N 2.77Å
630	N	78.9	Confident	75.6	Confident	84 Å²	84	120 Å²	120	45%	0.449	58%	0.584	S	S	.	*	H	α-helix	trans	-67.3	-37.3	178.3	-74.3	-16.2	0	0	0	112.1	T626 K627 R633 A634	T626-N630 VanDerWaalsContact O-CB 3.29Å; T626-N630 WeakPolarHBondContact O-CB 3.29Å; T626-N630 PolarHBondContact O-N 3.26Å; T626-N630 PolarHBondContact O-ND2 2.81Å; K627-N630 PolarHBondContact O-N 2.79Å; N630-R633 PolarHBondContact O-N 2.97Å; N630-A634 WeakPolarHBondContact O-CB 3.35Å; N630-A634 PolarHBondContact O-N 2.67Å
631	Q	80.4	Confident	74.6	Confident	125 Å²	125	122.3 Å²	122.3	58%	0.584	59%	0.593	S	S	*	*	H	α-helix	trans	-63.8	-43.2	172.3	-78.4	177	-27.3	0	0	111.9	K627 A628 R633 A634 A635	K627-Q631 WeakPolarHBondContact O-CB 3.23Å; K627-Q631 WeakPolarHBondContact O-CG 3.3Å; K627-Q631 PolarHBondContact O-N 3.45Å; A628-Q631 PolarHBondContact O-N 2.86Å; Q631-R633 PolarHBondContact O-N 2.98Å; Q631-A634 PolarHBondContact O-N 2.91Å; Q631-A635 WeakPolarHBondContact O-CB 3.26Å; Q631-A635 PolarHBondContact O-N 3.04Å
632	R	78.3	Confident	73.2	Confident	200 Å²	200	123 Å²	123	76%	0.755	61%	0.611	S	S	*	*	H	α-helix	trans	-61.9	-42.1	174	-75	-178.3	179.3	178.1	-0.5	112.3	A628 I629 A635 A636	A628-R632 WeakPolarHBondContact O-CG 3.44Å; A628-R632 PolarHBondContact O-N 2.86Å; I629-R632 PolarHBondContact O-N 2.91Å; R632-A635 PolarHBondContact O-N 3.35Å; R632-A636 WeakPolarHBondContact O-CB 3.43Å; R632-A636 PolarHBondContact O-N 3.33Å
633	R	76.8	Confident	73.1	Confident	174 Å²	174	123.9 Å²	123.9	66%	0.657	61%	0.614	S	S	*	*	H	α-helix	trans	-65.6	-37.4	175.5	-76.2	178.3	172.2	-179.2	-3	112.6	I629 N630 Q631 K637	I629-R633 WeakPolarHBondContact O-CG 3.27Å; I629-R633 PolarHBondContact O-N 2.77Å; N630-R633 PolarHBondContact O-N 2.97Å; Q631-R633 PolarHBondContact O-N 2.98Å; R633-K637 PolarHBondContact O-N 2.71Å
634	A	75.1	Confident	72.7	Confident	55 Å²	55	120.8 Å²	120.8	46%	0.455	61%	0.61	S	S	.	*	H	α-helix	trans	-68.5	-41.1	175.8	0	0	0	0	0	112	N630 Q631 K637 R638	N630-A634 WeakPolarHBondContact O-CB 3.35Å; N630-A634 PolarHBondContact O-N 2.67Å; Q631-A634 PolarHBondContact O-N 2.91Å; A634-K637 PolarHBondContact O-N 2.91Å; A634-R638 PolarHBondContact O-N 3.14Å
635	A	74.1	Confident	72.3	Confident	60 Å²	60	122 Å²	122	50%	0.496	61%	0.611	S	S	.	*	H	α-helix	trans	-62.2	-44.9	173.4	0	0	0	0	0	111.7	Q631 R632 K637 R638 A639	Q631-A635 WeakPolarHBondContact O-CB 3.26Å; Q631-A635 PolarHBondContact O-N 3.04Å; R632-A635 PolarHBondContact O-N 3.35Å; A635-K637 VanDerWaalsContact C-N 3.35Å; A635-K637 PolarHBondContact O-N 2.87Å; A635-R638 PolarHBondContact O-N 2.91Å; A635-A639 PolarHBondContact O-N 3.1Å
636	A	71.6	Confident	72	Confident	58 Å²	58	125.4 Å²	125.4	48%	0.479	62%	0.62	S	S	.	*	H	α-helix	trans	-64.5	-34.5	176.2	0	0	0	0	0	113.3	R632 K640	R632-A636 WeakPolarHBondContact O-CB 3.43Å; R632-A636 PolarHBondContact O-N 3.33Å; A636-K640 PolarHBondContact O-N 3.3Å
637	K	72.1	Confident	71.6	Confident	163 Å²	163	129.3 Å²	129.3	71%	0.709	64%	0.635	S	S	*	*	H	α-helix	trans	-70.2	-34	172.8	-88.2	-173.2	174	-175.8	0	113	R633 A634 A635	R633-K637 PolarHBondContact O-N 2.71Å; A634-K637 PolarHBondContact O-N 2.91Å; A635-K637 VanDerWaalsContact C-N 3.35Å; A635-K637 PolarHBondContact O-N 2.87Å
638	R	67.9	Low	70.8	Confident	209 Å²	209	128.5 Å²	128.5	79%	0.789	64%	0.636	S	S	*	*	H	α-helix	trans	-67.5	-40.6	172.8	-97.9	-177.9	171	-176.8	-3.7	111.6	A634 A635 K640 R641	A634-R638 PolarHBondContact O-N 3.14Å; A635-R638 PolarHBondContact O-N 2.91Å; R638-K640 VanDerWaalsContact C-N 3.26Å; R638-K640 PolarHBondContact O-N 3.47Å; R638-R641 PolarHBondContact O-N 2.78Å
639	A	62.7	Low	70.5	Confident	73 Å²	73	134.6 Å²	134.6	60%	0.603	66%	0.656	S	S	*	*	H	α-helix	trans	-68.4	-19	178.1	0	0	0	0	0	114.5	A635	A635-A639 PolarHBondContact O-N 3.1Å
640	K	63.8	Low	69.8	Low	187 Å²	187	138.9 Å²	138.9	81%	0.813	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-2.6	173.5	-82.8	-172.1	172.7	-172.3	0	114.4	A636 R638	A636-K640 PolarHBondContact O-N 3.3Å; R638-K640 VanDerWaalsContact C-N 3.26Å; R638-K640 PolarHBondContact O-N 3.47Å
641	R	57.3	Low	69.1	Low	235 Å²	235	143.5 Å²	143.5	89%	0.887	70%	0.695	S	S	*	*			trans	-109.6	1.4	-179	-96.2	-175.5	168.7	-171.5	-4.2	113.2	R638	R638-R641 PolarHBondContact O-N 2.78Å
642	V	48.8	Very low	68	Low	183 Å²	183	145.2 Å²	145.2	100%	1.109	71%	0.705	S	S	*	*			trans	-104.4	0	161.8	-173	0	0	0	0	105.5

Retrieved 642 of 642 residues in 1709.4 ms (Link to these results)

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