A0A077Z6F0_TRITR Loading...

PP2C domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6F0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 432 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	42.1	Very low	180 Å²	180	118.3 Å²	118.3	89%	0.887	53%	0.527	S	S	*	.				0	-47.1	0	-159.5	174.2	164.7	0	0	112.8	L3 R4 R5	M1-L3 PolarHBondContact O-N 3.1Å; M1-R4 PolarHBondContact O-N 2.97Å; M1-R5 PolarHBondContact O-N 2.91Å; M1-R5 VanDerWaalsContact O-N 3.14Å
2	L	34.8	Very low	42.8	Very low	143 Å²	143	111.8 Å²	111.8	75%	0.749	50%	0.503	S	S	*	.	H	α-helix	trans	-59	-41	174.2	-81.1	157.8	0	0	0	113.8	R5 R6	L2-R5 PolarHBondContact O-N 2.61Å; L2-R5 VanDerWaalsContact O-N 3.16Å; L2-R6 PolarHBondContact O-N 3.32Å
3	L	42.6	Very low	43.3	Very low	60 Å²	60	112.3 Å²	112.3	31%	0.314	50%	0.5	S	S	.	.	H	α-helix	trans	-63.6	-43.8	177.8	-139.9	89.3	0	0	0	112	M1 R5 R6 I7	M1-L3 PolarHBondContact O-N 3.1Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 2.77Å; L3-R6 PolarHBondContact O-N 3.29Å; L3-R6 VanDerWaalsContact O-N 3.15Å; L3-I7 HydrophobicContact CD2-CD1 4.23Å; L3-I7 HydrophobicContact CG-CD1 4.43Å; L3-I7 VanDerWaalsContact O-CB 3.31Å; L3-I7 WeakPolarHBondContact O-CB 3.34Å; L3-I7 WeakPolarHBondContact O-CD1 3.49Å; L3-I7 WeakPolarHBondContact O-CG1 3.27Å; L3-I7 PolarHBondContact O-N 3Å
4	R	39.1	Very low	44.1	Very low	178 Å²	178	104.4 Å²	104.4	67%	0.672	47%	0.465	S	S	*	.	H	α-helix	trans	-59.3	-36.6	173	-87.4	-169.8	178.8	-172.8	-0.9	112.2	M1 S8	M1-R4 PolarHBondContact O-N 2.97Å; R4-S8 VanDerWaalsContact O-CB 3.29Å; R4-S8 WeakPolarHBondContact O-CB 3.5Å; R4-S8 PolarHBondContact O-N 2.87Å; R4-S8 PolarHBondContact O-OG 3.37Å
5	R	37.6	Very low	44.7	Very low	158 Å²	158	104.7 Å²	104.7	60%	0.596	47%	0.466	S	S	*	.	H	α-helix	trans	-72.1	-32.1	175.2	-77	-174.2	171.7	-177	-2.1	113.6	M1 L2 L3 S8 R9	M1-R5 PolarHBondContact O-N 2.91Å; M1-R5 VanDerWaalsContact O-N 3.14Å; L2-R5 PolarHBondContact O-N 2.61Å; L2-R5 VanDerWaalsContact O-N 3.16Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 2.77Å; R5-S8 WeakPolarHBondContact CA-OG 3.47Å; R5-S8 PolarHBondContact O-OG 3.12Å; R5-R9 WeakPolarHBondContact O-CB 3.42Å; R5-R9 WeakPolarHBondContact O-CG 3.48Å; R5-R9 PolarHBondContact O-N 2.85Å
6	R	42.8	Very low	45.7	Very low	171 Å²	171	105.6 Å²	105.6	65%	0.645	47%	0.465	S	S	*	.	H	α-helix	trans	-69.9	-48.6	172.5	-79.9	-171.5	176.4	-177.2	-0.2	110.6	L2 L3 S8 R9 L10	L2-R6 PolarHBondContact O-N 3.32Å; L3-R6 PolarHBondContact O-N 3.29Å; L3-R6 VanDerWaalsContact O-N 3.15Å; R6-S8 PolarHBondContact O-N 2.58Å; R6-R9 PolarHBondContact O-N 3.21Å; R6-R9 VanDerWaalsContact O-N 3.16Å; R6-L10 WeakPolarHBondContact O-CD1 3.27Å; R6-L10 WeakPolarHBondContact O-CG 3.49Å; R6-L10 PolarHBondContact O-N 2.78Å
7	I	46.4	Very low	46.6	Very low	13 Å²	13	105.2 Å²	105.2	7%	0.067	48%	0.479	C	S	.	.	H	α-helix	trans	-52.9	-53.9	172.5	-73	168.2	0	0	0	109.8	L3 R9 L10 F11 L404 L408	L3-I7 HydrophobicContact CD2-CD1 4.23Å; L3-I7 HydrophobicContact CG-CD1 4.43Å; L3-I7 VanDerWaalsContact O-CB 3.31Å; L3-I7 WeakPolarHBondContact O-CB 3.34Å; L3-I7 WeakPolarHBondContact O-CD1 3.49Å; L3-I7 WeakPolarHBondContact O-CG1 3.27Å; L3-I7 PolarHBondContact O-N 3Å; I7-R9 PolarHBondContact O-N 3.09Å; I7-R9 VanDerWaalsContact O-N 3.15Å; I7-L10 PolarHBondContact O-N 2.65Å; I7-L10 VanDerWaalsContact O-N 3.1Å; I7-F11 HydrophobicContact CB-CD2 4.48Å; I7-F11 HydrophobicContact CB-CE2 4.07Å; I7-F11 HydrophobicContact CG2-CD2 3.72Å; I7-F11 HydrophobicContact CG2-CE2 3.34Å; I7-F11 HydrophobicContact CG2-CZ 4.49Å; I7-F11 WeakPolarHBondContact O-CD2 3.33Å; I7-F11 WeakPolarHBondContact O-CE2 3.16Å; I7-F11 VanDerWaalsContact O-CG 3.22Å; I7-F11 WeakPolarHBondContact O-CG 3.31Å; I7-F11 PolarHBondContact O-N 3.26Å; I7-L404 HydrophobicContact CD1-CD2 3.7Å; I7-L408 HydrophobicContact CD1-CD1 3.97Å; I7-L408 HydrophobicContact CG1-CD1 3.55Å
8	S	39.8	Very low	48	Very low	77 Å²	77	101.2 Å²	101.2	54%	0.538	46%	0.461	S	S	.	.	H	α-helix	trans	-67.3	-17.1	-178.5	71.1	0	0	0	0	115	R4 R5 R6	R4-S8 VanDerWaalsContact O-CB 3.29Å; R4-S8 WeakPolarHBondContact O-CB 3.5Å; R4-S8 PolarHBondContact O-N 2.87Å; R4-S8 PolarHBondContact O-OG 3.37Å; R5-S8 WeakPolarHBondContact CA-OG 3.47Å; R5-S8 PolarHBondContact O-OG 3.12Å; R6-S8 PolarHBondContact O-N 2.58Å
9	R	41.6	Very low	49.4	Very low	227 Å²	227	97.6 Å²	97.6	86%	0.857	45%	0.449	S	S	*	.	H	α-helix	trans	-94.1	-17.4	174.8	-78.7	-175	176.7	-165.4	-1.9	113.1	R5 R6 I7	R5-R9 WeakPolarHBondContact O-CB 3.42Å; R5-R9 WeakPolarHBondContact O-CG 3.48Å; R5-R9 PolarHBondContact O-N 2.85Å; R6-R9 PolarHBondContact O-N 3.21Å; R6-R9 VanDerWaalsContact O-N 3.16Å; I7-R9 PolarHBondContact O-N 3.09Å; I7-R9 VanDerWaalsContact O-N 3.15Å
10	L	50	Low	50.7	Low	65 Å²	65	97.5 Å²	97.5	34%	0.34	47%	0.466	S	S	.	.	H	α-helix	trans	-79	-14.8	173.7	-80	154	0	0	0	111.4	R6 I7 C29 L30 P31	R6-L10 WeakPolarHBondContact O-CD1 3.27Å; R6-L10 WeakPolarHBondContact O-CG 3.49Å; R6-L10 PolarHBondContact O-N 2.78Å; I7-L10 PolarHBondContact O-N 2.65Å; I7-L10 VanDerWaalsContact O-N 3.1Å; L10-C29 VanDerWaalsContact O-O 3.07Å; L10-L30 HydrophobicContact CD2-CD1 4.35Å; L10-P31 HydrophobicContact CD2-CG 4.16Å
11	F	48.8	Very low	52.4	Low	29 Å²	29	94.2 Å²	94.2	13%	0.127	45%	0.45	C	S	.	.			trans	-119.9	119.9	-164.8	-60.3	-35.2	0	0	0	112.4	I7 N28 C29 L30 T384 I387	I7-F11 HydrophobicContact CB-CD2 4.48Å; I7-F11 HydrophobicContact CB-CE2 4.07Å; I7-F11 HydrophobicContact CG2-CD2 3.72Å; I7-F11 HydrophobicContact CG2-CE2 3.34Å; I7-F11 HydrophobicContact CG2-CZ 4.49Å; I7-F11 WeakPolarHBondContact O-CD2 3.33Å; I7-F11 WeakPolarHBondContact O-CE2 3.16Å; I7-F11 VanDerWaalsContact O-CG 3.22Å; I7-F11 WeakPolarHBondContact O-CG 3.31Å; I7-F11 PolarHBondContact O-N 3.26Å; F11-N28 WeakPolarHBondContact CA-OD1 3.42Å; F11-N28 WeakPolarHBondContact CB-OD1 3.36Å; F11-N28 WeakPolarHBondContact CD1-ND2 3.28Å; F11-N28 WeakPolarHBondContact CD1-OD1 3.42Å; F11-N28 VanDerWaalsContact CE1-ND2 3.35Å; F11-N28 WeakPolarHBondContact CE1-ND2 3.37Å; F11-N28 WeakPolarHBondContact CG-ND2 3.27Å; F11-N28 VanDerWaalsContact CG-OD1 3.3Å; F11-N28 WeakPolarHBondContact CG-OD1 3.4Å; F11-C29 WeakPolarHBondContact CD1-O 3.42Å; F11-L30 HydrophobicContact CE1-CB 4.41Å; F11-L30 HydrophobicContact CE1-CD1 4.32Å; F11-T384 HydrophobicContact CD2-CG2 3.52Å; F11-T384 HydrophobicContact CE2-CG2 3.48Å; F11-T384 VanDerWaalsContact CE2-CG2 3.48Å; F11-T384 HydrophobicContact CG-CG2 4.31Å; F11-T384 HydrophobicContact CZ-CG2 4.22Å; F11-I387 HydrophobicContact CE1-CG2 4.34Å; F11-I387 HydrophobicContact CZ-CG2 4.44Å
12	V	50.2	Low	54.9	Low	40 Å²	40	85.6 Å²	85.6	24%	0.242	41%	0.408	C	S	.	.			trans	-82	123.3	171.7	-179.8	0	0	0	0	107.3	N28 S106	V12-N28 PolarHBondContact N-OD1 3.38Å; V12-S106 WeakPolarHBondContact CG1-OG 3.16Å; V12-S106 VanDerWaalsContact CG2-CB 3.46Å
13	Y	49.1	Very low	57.4	Low	119 Å²	119	83.6 Å²	83.6	47%	0.467	39%	0.394	S	S	.	.			trans	-105.8	110.1	-179.7	179.8	-98.2	0	0	0	109.6	F15 N381	Y13-F15 HydrophobicContact CE1-CB 3.77Å; Y13-F15 WeakPolarHBondContact OH-CB 3.44Å; Y13-N381 HydrophobicContact CD2-CB 3.54Å; Y13-N381 WeakPolarHBondContact CD2-ND2 3.34Å; Y13-N381 HydrophobicContact CE2-CB 3.6Å
14	C	55.1	Low	59.7	Low	2 Å²	2	81 Å²	81	1%	0.014	38%	0.382	C	S	.	.			trans	-110.3	125.5	160.2	-163	0	0	0	0	109.4	Y25 H26 E103	C14-Y25 HydrophobicContact CB-CE2 3.74Å; C14-Y25 PolarHBondContact SG-OH 3.2Å; C14-H26 WeakPolarHBondContact O-CA 3.49Å; C14-H26 PolarHBondContact O-CD2 3.25Å; C14-E103 HydrophobicContact CB-CG 3.7Å; C14-E103 WeakPolarHBondContact CB-OE1 3.41Å; C14-E103 PolarHBondContact SG-OE1 3.23Å
15	F	53.6	Low	62.2	Low	109 Å²	109	72.6 Å²	72.6	48%	0.478	35%	0.35	S	S	.	.			trans	-123.6	122.3	154.6	170.1	-93.7	0	0	0	106	Y13 H26	Y13-F15 HydrophobicContact CE1-CB 3.77Å; Y13-F15 WeakPolarHBondContact OH-CB 3.44Å; F15-H26 AromaticContact CD2-NE2 3.55Å
16	R	59.3	Low	64.7	Low	118 Å²	118	65.5 Å²	65.5	45%	0.445	32%	0.323	S	S	.	.			trans	-132.7	132.7	169.9	-75.7	-174.4	-177.8	-149.2	2.4	108.7	I18 S24 Y25 L102	R16-I18 HydrophobicContact CB-CG1 4.14Å; R16-I18 WeakPolarHBondContact O-CG1 3.48Å; R16-I18 PolarHBondContact O-N 2.83Å; R16-S24 WeakPolarHBondContact O-CA 3.29Å; R16-S24 WeakPolarHBondContact O-CB 3.23Å; R16-Y25 HydrophobicContact CB-CE1 4.28Å; R16-L102 PolarHBondContact NE-O 3.15Å; R16-L102 PolarHBondContact NH1-O 3.12Å; R16-L102 PolarHBondContact NH2-O 2.57Å
17	S	61.3	Low	67	Low	100 Å²	100	57.4 Å²	57.4	70%	0.699	29%	0.293	S	S	*	.			trans	-70	121.3	155.6	-172.7	0	0	0	0	107.2	Q23	S17-Q23 VanDerWaalsContact CA-O 3.25Å; S17-Q23 WeakPolarHBondContact CA-O 3.3Å
18	I	72.1	Confident	69.1	Low	32 Å²	32	56.8 Å²	56.8	16%	0.164	29%	0.29	C	S	.	.			trans	-102.2	-66.2	-167.6	-61.6	170.2	0	0	0	111.2	R16 V22 Q23 Y25 Y51 F53	R16-I18 HydrophobicContact CB-CG1 4.14Å; R16-I18 WeakPolarHBondContact O-CG1 3.48Å; R16-I18 PolarHBondContact O-N 2.83Å; I18-V22 HydrophobicContact CB-CB 4.27Å; I18-V22 HydrophobicContact CB-CG1 4.44Å; I18-V22 WeakPolarHBondContact CB-O 3.36Å; I18-V22 HydrophobicContact CD1-CB 4.1Å; I18-V22 HydrophobicContact CD1-CG1 3.44Å; I18-V22 VanDerWaalsContact CD1-CG1 3.44Å; I18-V22 HydrophobicContact CG1-CG1 4.46Å; I18-V22 HydrophobicContact CG2-CB 4.39Å; I18-Q23 PolarHBondContact N-O 3.19Å; I18-Y25 HydrophobicContact CD1-CD1 3.38Å; I18-Y25 HydrophobicContact CD1-CE1 3.85Å; I18-Y25 HydrophobicContact CD1-CG 4.42Å; I18-Y25 HydrophobicContact CG1-CD1 4.2Å; I18-Y25 HydrophobicContact CG1-CE1 4.38Å; I18-Y51 HydrophobicContact CB-CE1 4.46Å; I18-Y51 HydrophobicContact CG2-CD1 3.72Å; I18-Y51 HydrophobicContact CG2-CD2 4.23Å; I18-Y51 HydrophobicContact CG2-CE1 2.99Å; I18-Y51 HydrophobicContact CG2-CE2 3.63Å; I18-Y51 HydrophobicContact CG2-CG 4.28Å; I18-Y51 WeakPolarHBondContact CG2-OH 3.29Å; I18-F53 HydrophobicContact CD1-CZ 3.88Å
19	S	74.6	Confident	71.6	Confident	33 Å²	33	54.1 Å²	54.1	23%	0.231	27%	0.271	C	S	.	.			trans	-157.3	-177.6	-171.9	76.4	0	0	0	0	112.1	F21 V22	S19-F21 PolarHBondContact O-N 2.85Å; S19-F21 PolarHBondContact OG-N 3.38Å; S19-V22 PolarHBondContact N-O 3.45Å; S19-V22 PolarHBondContact OG-N 3.27Å
20	A	74.8	Confident	73.9	Confident	96 Å²	96	43.4 Å²	43.4	79%	0.793	23%	0.231	S	C	*	.	S	Bend	trans	-66.7	-10.1	174.6	0	0	0	0	0	114.4	P430	A20-P430 VanDerWaalsContact O-CG 3.23Å; A20-P430 WeakPolarHBondContact O-CG 3.07Å
21	F	87.9	Confident	75.9	Confident	28 Å²	28	42.2 Å²	42.2	12%	0.123	23%	0.227	C	C	.	.	S	Bend	trans	-129.4	-11.5	-178.6	63.8	-96	0	0	0	114.9	S19 N49 Y51 V189 P430	S19-F21 PolarHBondContact O-N 2.85Å; S19-F21 PolarHBondContact OG-N 3.38Å; F21-N49 WeakPolarHBondContact CZ-O 3.43Å; F21-Y51 HydrophobicContact CE1-CE2 4.3Å; F21-Y51 AromaticContact CE2-CD2 3.52Å; F21-Y51 HydrophobicContact CE2-CD2 3.52Å; F21-Y51 AromaticContact CE2-CE2 3.81Å; F21-Y51 HydrophobicContact CE2-CE2 3.81Å; F21-Y51 AromaticContact CZ-CD2 3.67Å; F21-Y51 HydrophobicContact CZ-CD2 3.67Å; F21-Y51 AromaticContact CZ-CE2 3.54Å; F21-Y51 HydrophobicContact CZ-CE2 3.54Å; F21-V189 HydrophobicContact CD2-CG1 3.88Å; F21-V189 HydrophobicContact CE2-CB 4.47Å; F21-V189 HydrophobicContact CE2-CG1 4.05Å; F21-V189 WeakPolarHBondContact CE2-O 3.07Å; F21-P430 VanDerWaalsContact O-CD 3.23Å; F21-P430 WeakPolarHBondContact O-CD 3.5Å
22	V	90.5	Very high	77.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.221	C	C	.	.			trans	-121.1	112.8	160.6	-175.6	0	0	0	0	106.5	I18 S19 Y51 F53 V189 I427	I18-V22 HydrophobicContact CB-CB 4.27Å; I18-V22 HydrophobicContact CB-CG1 4.44Å; I18-V22 WeakPolarHBondContact CB-O 3.36Å; I18-V22 HydrophobicContact CD1-CB 4.1Å; I18-V22 HydrophobicContact CD1-CG1 3.44Å; I18-V22 VanDerWaalsContact CD1-CG1 3.44Å; I18-V22 HydrophobicContact CG1-CG1 4.46Å; I18-V22 HydrophobicContact CG2-CB 4.39Å; S19-V22 PolarHBondContact N-O 3.45Å; S19-V22 PolarHBondContact OG-N 3.27Å; V22-Y51 HydrophobicContact CG2-CD2 3.92Å; V22-Y51 HydrophobicContact CG2-CG 4.38Å; V22-F53 HydrophobicContact CG1-CE2 4.48Å; V22-F53 HydrophobicContact CG1-CZ 4.32Å; V22-V189 HydrophobicContact CG2-CB 4.16Å; V22-V189 HydrophobicContact CG2-CG1 3.84Å; V22-I427 HydrophobicContact CG1-CG2 3.7Å
23	Q	88.7	Confident	79.8	Confident	100 Å²	100	40.5 Å²	40.5	47%	0.467	22%	0.218	S	C	.	.			trans	-72.1	-49.8	-175.9	-178.1	-177.8	7.8	0	0	110.2	S17 I18 Y428	S17-Q23 VanDerWaalsContact CA-O 3.25Å; S17-Q23 WeakPolarHBondContact CA-O 3.3Å; I18-Q23 PolarHBondContact N-O 3.19Å; Q23-Y428 PolarHBondContact N-O 3.07Å
24	S	90	Very high	81.7	Confident	7 Å²	7	44.9 Å²	44.9	5%	0.049	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	176	176.1	61.3	0	0	0	0	111.5	R16 Y428	R16-S24 WeakPolarHBondContact O-CA 3.29Å; R16-S24 WeakPolarHBondContact O-CB 3.23Å; S24-Y428 PolarHBondContact N-O 3.42Å; S24-Y428 PolarHBondContact O-N 3.4Å; S24-Y428 WeakPolarHBondContact OG-CD2 3.48Å
25	Y	91.7	Very high	83.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	158.6	168.2	71.4	-72.3	0	0	0	109.9	C14 R16 I18 E42 F53 L102 F425 V426	C14-Y25 HydrophobicContact CB-CE2 3.74Å; C14-Y25 PolarHBondContact SG-OH 3.2Å; R16-Y25 HydrophobicContact CB-CE1 4.28Å; I18-Y25 HydrophobicContact CD1-CD1 3.38Å; I18-Y25 HydrophobicContact CD1-CE1 3.85Å; I18-Y25 HydrophobicContact CD1-CG 4.42Å; I18-Y25 HydrophobicContact CG1-CD1 4.2Å; I18-Y25 HydrophobicContact CG1-CE1 4.38Å; Y25-E42 HydrophobicContact CE2-CB 4.24Å; Y25-E42 HydrophobicContact CE2-CG 4.06Å; Y25-E42 WeakPolarHBondContact OH-CG 3.49Å; Y25-F53 AromaticContact CD1-CE1 3.77Å; Y25-F53 HydrophobicContact CD1-CE1 3.77Å; Y25-F53 HydrophobicContact CD1-CZ 4.25Å; Y25-F53 HydrophobicContact CD2-CD1 4.22Å; Y25-F53 AromaticContact CD2-CE1 3.81Å; Y25-F53 HydrophobicContact CD2-CE1 3.81Å; Y25-F53 HydrophobicContact CE1-CE1 4.12Å; Y25-F53 HydrophobicContact CE2-CE1 4.15Å; Y25-F53 HydrophobicContact CG-CD1 4.35Å; Y25-F53 AromaticContact CG-CE1 3.58Å; Y25-F53 HydrophobicContact CG-CE1 3.58Å; Y25-F53 HydrophobicContact CG-CZ 4.3Å; Y25-L102 HydrophobicContact CE1-CD1 4.12Å; Y25-L102 WeakPolarHBondContact OH-CB 3.37Å; Y25-F425 AromaticContact CD2-CD1 3.94Å; Y25-F425 HydrophobicContact CD2-CD1 3.94Å; Y25-F425 HydrophobicContact CD2-CE1 4.06Å; Y25-F425 HydrophobicContact CE2-CD1 4.47Å; Y25-F425 HydrophobicContact CE2-CE1 4.12Å; Y25-V426 CarbonylContact C-O 3.55Å; Y25-V426 WeakPolarHBondContact CA-O 3.41Å
26	H	91.1	Very high	85.2	Confident	10 Å²	10	44.5 Å²	44.5	5%	0.046	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.6	167.8	-66.1	154.8	0	0	0	108	C14 F15 C382 A383 F425 V426 Y428	C14-H26 WeakPolarHBondContact O-CA 3.49Å; C14-H26 PolarHBondContact O-CD2 3.25Å; F15-H26 AromaticContact CD2-NE2 3.55Å; H26-C382 WeakPolarHBondContact ND1-CB 3.31Å; H26-C382 PolarHBondContact ND1-N 3.43Å; H26-C382 VanDerWaalsContact ND1-N 3.16Å; H26-A383 HydrophobicContact CB-CB 4.44Å; H26-F425 CarbonylContact O-C 3.54Å; H26-F425 VanDerWaalsContact O-CA 3.29Å; H26-F425 WeakPolarHBondContact O-CA 3.43Å; H26-V426 HydrophobicContact CB-CB 4.48Å; H26-V426 PolarHBondContact N-O 2.92Å; H26-V426 PolarHBondContact O-N 3.14Å; H26-Y428 AromaticContact CE1-CE2 3.93Å; H26-Y428 AromaticContact ND1-CE2 3.63Å
27	C	91.2	Very high	87	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.007	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	156.5	170	-171.3	0	0	0	0	109.2	N381 V424 F425	C27-N381 PolarHBondContact O-ND2 3.49Å; C27-V424 CarbonylContact C-O 3.58Å; C27-V424 WeakPolarHBondContact CA-O 3.45Å; C27-F425 HydrophobicContact CB-CD1 3.63Å; C27-F425 HydrophobicContact CB-CE1 3.53Å; C27-F425 HydrophobicContact CB-CG 4.28Å; C27-F425 HydrophobicContact CB-CZ 4.12Å; C27-F425 VanDerWaalsContact SG-CE1 3.51Å; C27-F425 WeakPolarHBondContact SG-CZ 3.26Å
28	N	90.8	Very high	88.6	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	155.8	164.8	-157.7	10.7	0	0	0	112.5	F11 V12 A383 T384 I387 T423 V424	F11-N28 WeakPolarHBondContact CA-OD1 3.42Å; F11-N28 WeakPolarHBondContact CB-OD1 3.36Å; F11-N28 WeakPolarHBondContact CD1-ND2 3.28Å; F11-N28 WeakPolarHBondContact CD1-OD1 3.42Å; F11-N28 VanDerWaalsContact CE1-ND2 3.35Å; F11-N28 WeakPolarHBondContact CE1-ND2 3.37Å; F11-N28 WeakPolarHBondContact CG-ND2 3.27Å; F11-N28 VanDerWaalsContact CG-OD1 3.3Å; F11-N28 WeakPolarHBondContact CG-OD1 3.4Å; V12-N28 PolarHBondContact N-OD1 3.38Å; N28-A383 HydrophobicContact CB-CB 3.6Å; N28-T384 VanDerWaalsContact ND2-CA 3.29Å; N28-T384 WeakPolarHBondContact ND2-CA 3.22Å; N28-T384 WeakPolarHBondContact ND2-CB 3.4Å; N28-T384 PolarHBondContact ND2-OG1 2.93Å; N28-I387 HydrophobicContact CB-CD1 3.86Å; N28-T423 WeakPolarHBondContact O-CA 3.15Å; N28-V424 PolarHBondContact N-O 3.26Å; N28-V424 PolarHBondContact O-N 3.06Å
29	C	90.8	Very high	89.7	Confident	21 Å²	21	35.4 Å²	35.4	14%	0.142	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	147.5	176.9	-179.7	0	0	0	0	111.1	L10 F11 M422 T423	L10-C29 VanDerWaalsContact O-O 3.07Å; F11-C29 WeakPolarHBondContact CD1-O 3.42Å; C29-M422 CarbonylContact C-O 3.57Å; C29-M422 WeakPolarHBondContact CA-O 3.45Å; C29-T423 PolarHBondContact SG-OG1 2.77Å
30	L	90.9	Very high	90.6	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	114.4	170.7	177.5	71.4	0	0	0	110.2	L10 F11 I387 L391 L408 D421 M422	L10-L30 HydrophobicContact CD2-CD1 4.35Å; F11-L30 HydrophobicContact CE1-CB 4.41Å; F11-L30 HydrophobicContact CE1-CD1 4.32Å; L30-I387 HydrophobicContact CB-CD1 4.43Å; L30-I387 HydrophobicContact CB-CG2 3.96Å; L30-I387 HydrophobicContact CD2-CG2 3.8Å; L30-I387 HydrophobicContact CG-CG2 4.49Å; L30-L391 HydrophobicContact CD2-CD1 3.63Å; L30-L391 HydrophobicContact CD2-CD2 3.73Å; L30-L391 HydrophobicContact CD2-CG 4.09Å; L30-L408 HydrophobicContact CD1-CD2 3.98Å; L30-L408 HydrophobicContact CD2-CD2 4.42Å; L30-D421 WeakPolarHBondContact O-CA 3.39Å; L30-M422 HydrophobicContact CB-CB 4.36Å; L30-M422 HydrophobicContact CD2-SD 4.33Å; L30-M422 PolarHBondContact N-O 3.46Å; L30-M422 PolarHBondContact O-N 3.01Å
31	P	91.5	Very high	91.4	Very high	39 Å²	39	29.7 Å²	29.7	25%	0.253	15%	0.147	S	C	.	.			trans	-74.5	140	176.4	28.6	-35.1	0	0	0	112.9	L10 C36 R419 D421	L10-P31 HydrophobicContact CD2-CG 4.16Å; P31-C36 HydrophobicContact CB-CB 3.83Å; P31-R419 PolarHBondContact O-NE 3.43Å; P31-R419 PolarHBondContact O-NH2 3.26Å; P31-D421 WeakPolarHBondContact CA-OD1 3.37Å
32	A	91.7	Very high	91.6	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.017	14%	0.141	C	C	.	.	S	Bend	trans	-104.8	-33.6	157.5	0	0	0	0	0	112.2	A415 R419 D420 D421	A32-A415 HydrophobicContact CB-CB 4.41Å; A32-R419 HydrophobicContact CB-CG 3.95Å; A32-R419 VanDerWaalsContact CB-O 3.29Å; A32-R419 WeakPolarHBondContact CB-O 3.34Å; A32-D420 WeakPolarHBondContact CB-O 3.42Å; A32-D421 WeakPolarHBondContact CA-OD1 3.41Å; A32-D421 PolarHBondContact N-OD1 2.93Å
33	N	89.7	Confident	91.6	Very high	32 Å²	32	28.4 Å²	28.4	17%	0.171	14%	0.141	C	C	.	.	S	Bend	trans	-88.1	160.8	177.3	-67.9	-50.5	0	0	0	112.2	P35 C36 E37 R416 D421	N33-P35 CarbonylContact C-O 3.47Å; N33-P35 VanDerWaalsContact C-O 3.24Å; N33-P35 WeakPolarHBondContact CB-O 3.44Å; N33-P35 CarbonylContact O-C 3.49Å; N33-C36 PolarHBondContact O-N 2.87Å; N33-E37 HydrophobicContact CB-CG 4.2Å; N33-E37 PolarHBondContact ND2-OE2 2.73Å; N33-R416 PolarHBondContact ND2-NH1 3.24Å; N33-D421 PolarHBondContact N-OD1 3.27Å; N33-D421 PolarHBondContact ND2-OD2 3.35Å
34	R	88.3	Confident	91.7	Very high	210 Å²	210	26.1 Å²	26.1	79%	0.792	13%	0.128	S	C	*	.	S	Bend	trans	-133.9	108.5	169.4	-169.5	174.1	-174.4	166.1	0	110.7
35	P	91.1	Very high	91.8	Very high	75 Å²	75	25.8 Å²	25.8	49%	0.487	13%	0.126	S	C	.	.	S	Bend	cis	-64.1	160.2	-3.8	30.2	-36.9	0	0	0	113.2	N33 P62	N33-P35 CarbonylContact C-O 3.47Å; N33-P35 VanDerWaalsContact C-O 3.24Å; N33-P35 WeakPolarHBondContact CB-O 3.44Å; N33-P35 CarbonylContact O-C 3.49Å; P35-P62 HydrophobicContact CB-CG 4.25Å; P35-P62 HydrophobicContact CG-CG 3.67Å
36	C	92.1	Very high	91.5	Very high	28 Å²	28	33.8 Å²	33.8	19%	0.189	16%	0.156	C	C	.	.			trans	-59.9	132.5	167.8	-166.1	0	0	0	0	109.1	P31 N33 P62	P31-C36 HydrophobicContact CB-CB 3.83Å; N33-C36 PolarHBondContact O-N 2.87Å; C36-P62 WeakPolarHBondContact O-CB 3.3Å
37	E	95.4	Very high	91.2	Very high	33 Å²	33	37 Å²	37	15%	0.154	17%	0.173	C	C	.	.			trans	-90	-36.3	179.8	-58.3	-176.7	121.9	0	0	111.4	N33 G58 G60 G61 A65 D421	N33-E37 HydrophobicContact CB-CG 4.2Å; N33-E37 PolarHBondContact ND2-OE2 2.73Å; E37-G58 WeakPolarHBondContact CB-O 3.35Å; E37-G60 PolarHBondContact OE1-N 3.42Å; E37-G61 WeakPolarHBondContact OE1-CA 3.29Å; E37-G61 PolarHBondContact OE1-N 3.35Å; E37-A65 WeakPolarHBondContact O-CB 3.29Å; E37-D421 PolarHBondContact N-OD2 3.18Å
38	D	95.7	Very high	91.1	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.011	18%	0.182	C	C	.	.			trans	-51.8	140.3	168.3	-99.2	8.1	0	0	0	113.1	F56 D57 S322 D421 M422 T423	D38-F56 CarbonylContact C-O 3.24Å; D38-F56 WeakPolarHBondContact CA-O 3.47Å; D38-D57 VanDerWaalsContact OD1-CA 3.27Å; D38-D57 WeakPolarHBondContact OD1-CA 3.43Å; D38-D57 WeakPolarHBondContact OD1-CB 3.39Å; D38-S322 PolarHBondContact OD2-OG 3.06Å; D38-D421 HydrophobicContact CB-CB 3.79Å; D38-M422 VanDerWaalsContact OD2-C 3.27Å; D38-T423 VanDerWaalsContact CB-OG1 3.29Å; D38-T423 WeakPolarHBondContact CB-OG1 3.04Å; D38-T423 VanDerWaalsContact CG-OG1 3.29Å; D38-T423 VanDerWaalsContact OD2-CB 3.23Å; D38-T423 WeakPolarHBondContact OD2-CB 3.33Å; D38-T423 PolarHBondContact OD2-N 2.66Å; D38-T423 PolarHBondContact OD2-OG1 3.48Å
39	Q	94.5	Very high	91	Very high	25 Å²	25	42.4 Å²	42.4	12%	0.117	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	160.5	169.3	-60.8	-63	-49.9	0	0	111.1	F56 A65 K66 A69 S108	Q39-F56 HydrophobicContact CB-CB 4.18Å; Q39-F56 HydrophobicContact CB-CD2 4.48Å; Q39-F56 PolarHBondContact N-O 3.13Å; Q39-F56 PolarHBondContact O-N 3.4Å; Q39-A65 HydrophobicContact CB-CB 4.22Å; Q39-A65 HydrophobicContact CG-CB 3.69Å; Q39-K66 HydrophobicContact CG-CG 3.85Å; Q39-A69 HydrophobicContact CB-CB 3.93Å; Q39-S108 PolarHBondContact OE1-OG 3.17Å
40	H	93.7	Very high	91.2	Very high	9 Å²	9	41.4 Å²	41.4	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	157.9	171.7	72.3	93.2	0	0	0	112	E42 G54 S106 T423 F425	H40-E42 IonicContact CE1-OE1 3.67Å; H40-E42 IonicContact CE1-OE2 2.67Å; H40-E42 IonicContact ND1-OE1 2.61Å; H40-E42 IonicContact ND1-OE2 3.02Å; H40-E42 PolarHBondContact ND1-OE2 2.89Å; H40-G54 WeakPolarHBondContact CA-O 3.36Å; H40-S106 PolarHBondContact CE1-OG 2.95Å; H40-S106 PolarHBondContact NE2-OG 3.46Å; H40-T423 HydrophobicContact CB-CG2 3.74Å; H40-F425 HydrophobicContact CB-CE2 3.63Å; H40-F425 HydrophobicContact CB-CZ 3.78Å; H40-F425 AromaticContact ND1-CZ 3.87Å
41	A	92.4	Very high	91.3	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	150.8	171.8	0	0	0	0	0	112.1	F53 G54 F56 A69 Y73 R101 F425	A41-F53 CarbonylContact O-C 3.59Å; A41-F53 WeakPolarHBondContact O-CA 3.17Å; A41-G54 PolarHBondContact N-O 3.38Å; A41-G54 PolarHBondContact O-N 3.33Å; A41-F56 HydrophobicContact CB-CE2 3.62Å; A41-F56 HydrophobicContact CB-CZ 4.25Å; A41-A69 HydrophobicContact CB-CB 4.47Å; A41-A69 WeakPolarHBondContact CB-O 3.39Å; A41-Y73 HydrophobicContact CB-CE2 3.75Å; A41-Y73 PolarHBondContact O-OH 3.44Å; A41-R101 VanDerWaalsContact CB-NH2 3.27Å; A41-F425 WeakPolarHBondContact O-CZ 3.27Å
42	E	91.9	Very high	91.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	136.7	176.1	52.6	-98.8	-133.7	0	0	108.8	Y25 H40 F52 F53 L102 E103 F425	Y25-E42 HydrophobicContact CE2-CB 4.24Å; Y25-E42 HydrophobicContact CE2-CG 4.06Å; Y25-E42 WeakPolarHBondContact OH-CG 3.49Å; H40-E42 IonicContact CE1-OE1 3.67Å; H40-E42 IonicContact CE1-OE2 2.67Å; H40-E42 IonicContact ND1-OE1 2.61Å; H40-E42 IonicContact ND1-OE2 3.02Å; H40-E42 PolarHBondContact ND1-OE2 2.89Å; E42-F52 CarbonylContact C-O 3.43Å; E42-F52 VanDerWaalsContact CA-O 3.28Å; E42-F52 WeakPolarHBondContact CA-O 3.18Å; E42-F53 HydrophobicContact CB-CD1 3.85Å; E42-F53 HydrophobicContact CB-CE1 4.14Å; E42-L102 HydrophobicContact CB-CB 4.37Å; E42-L102 HydrophobicContact CB-CD1 4.45Å; E42-L102 HydrophobicContact CG-CB 3.92Å; E42-L102 PolarHBondContact O-N 3.3Å; E42-L102 VanDerWaalsContact O-N 3.14Å; E42-E103 HydrophobicContact CG-CB 4.21Å; E42-E103 HydrophobicContact CG-CG 4.48Å; E42-E103 WeakPolarHBondContact OE1-CB 3.33Å; E42-E103 WeakPolarHBondContact OE1-CG 3.32Å; E42-F425 HydrophobicContact CB-CE1 4.24Å; E42-F425 WeakPolarHBondContact OE2-CZ 3.43Å
43	G	91	Very high	91.7	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	155.9	-173.8	0	0	0	0	0	114	Y51 F52 D100	G43-Y51 CarbonylContact O-C 3.46Å; G43-Y51 WeakPolarHBondContact O-CA 3.2Å; G43-F52 PolarHBondContact N-O 3.23Å; G43-F52 PolarHBondContact O-N 3.38Å; G43-D100 CarbonylContact C-O 3.59Å; G43-D100 WeakPolarHBondContact CA-O 3.15Å
44	Y	90.8	Very high	92	Very high	52 Å²	52	38.5 Å²	38.5	20%	0.204	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.9	175.6	176	-121.3	0	0	0	110.3	R46 N49 S50 Y51 V99 D100	Y44-R46 HydrophobicContact CD1-CG 3.89Å; Y44-R46 HydrophobicContact CE1-CB 4.34Å; Y44-R46 HydrophobicContact CE1-CG 3.68Å; Y44-R46 PolarHBondContact O-N 2.74Å; Y44-N49 PolarHBondContact OH-OD1 3.49Å; Y44-S50 VanDerWaalsContact CD2-O 3.23Å; Y44-S50 WeakPolarHBondContact CD2-O 3.25Å; Y44-Y51 AromaticContact CD2-CD1 3.76Å; Y44-Y51 HydrophobicContact CD2-CD1 3.76Å; Y44-Y51 HydrophobicContact CD2-CD2 4.38Å; Y44-Y51 AromaticContact CD2-CE1 3.19Å; Y44-Y51 HydrophobicContact CD2-CE1 3.19Å; Y44-Y51 AromaticContact CD2-CE2 3.88Å; Y44-Y51 HydrophobicContact CD2-CE2 3.88Å; Y44-Y51 HydrophobicContact CD2-CG 4.31Å; Y44-Y51 AromaticContact CD2-CZ 3.23Å; Y44-Y51 WeakPolarHBondContact CD2-OH 3.44Å; Y44-Y51 HydrophobicContact CE2-CE1 4.01Å; Y44-Y51 AromaticContact CE2-CE2 3.99Å; Y44-Y51 HydrophobicContact CE2-CE2 3.99Å; Y44-Y51 AromaticContact CE2-CZ 3.55Å; Y44-Y51 WeakPolarHBondContact CE2-OH 3.06Å; Y44-Y51 HydrophobicContact CG-CD1 4.31Å; Y44-Y51 AromaticContact CG-CE1 3.68Å; Y44-Y51 HydrophobicContact CG-CE1 3.68Å; Y44-V99 CarbonylContact O-C 3.58Å; Y44-V99 WeakPolarHBondContact O-CA 3.37Å; Y44-D100 PolarHBondContact N-O 3.44Å; Y44-D100 PolarHBondContact O-N 3.02Å
45	C	90.8	Very high	92.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	104.9	172.3	-177.8	0	0	0	0	109	L47 D48 N49 S50 F52 V99	C45-L47 VanDerWaalsContact C-N 3.27Å; C45-L47 PolarHBondContact O-N 2.95Å; C45-D48 PolarHBondContact O-N 2.93Å; C45-N49 WeakPolarHBondContact O-CA 3.4Å; C45-N49 PolarHBondContact O-N 3.47Å; C45-S50 PolarHBondContact N-O 2.92Å; C45-S50 PolarHBondContact O-N 3.24Å; C45-F52 HydrophobicContact CB-CD2 4.48Å; C45-F52 HydrophobicContact CB-CE2 3.95Å; C45-V99 HydrophobicContact CB-CG2 4.13Å
46	R	85.7	Confident	92.8	Very high	169 Å²	169	24.9 Å²	24.9	64%	0.638	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-38.1	177.7	-66.7	-168.4	-178.6	162.4	17.3	112.3	Y44 D48 N49 D100	Y44-R46 HydrophobicContact CD1-CG 3.89Å; Y44-R46 HydrophobicContact CE1-CB 4.34Å; Y44-R46 HydrophobicContact CE1-CG 3.68Å; Y44-R46 PolarHBondContact O-N 2.74Å; R46-D48 VanDerWaalsContact C-N 3.26Å; R46-D48 PolarHBondContact O-N 2.97Å; R46-N49 PolarHBondContact O-N 3.3Å; R46-D100 IonicContact CZ-OD1 3.82Å; R46-D100 IonicContact CZ-OD2 2.89Å; R46-D100 IonicContact NE-OD1 2.72Å; R46-D100 IonicContact NE-OD2 2.78Å; R46-D100 PolarHBondContact NE-OD2 3.23Å; R46-D100 IonicContact NH2-OD1 3.79Å; R46-D100 PolarHBondContact NH2-OD1 2.99Å; R46-D100 IonicContact NH2-OD2 2.77Å; R46-D100 PolarHBondContact NH2-OD2 3.3Å
47	L	86	Confident	93.1	Very high	77 Å²	77	24.1 Å²	24.1	40%	0.403	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-26.7	-172.5	-64.6	174.8	0	0	0	113	C45 L81 V85 I89 L98	C45-L47 VanDerWaalsContact C-N 3.27Å; C45-L47 PolarHBondContact O-N 2.95Å; L47-L81 HydrophobicContact CB-CD1 4.45Å; L47-L81 HydrophobicContact CB-CD2 3.62Å; L47-L81 HydrophobicContact CD1-CD1 3.63Å; L47-L81 HydrophobicContact CD1-CD2 4.33Å; L47-V85 HydrophobicContact CD1-CG1 4.46Å; L47-I89 HydrophobicContact CD1-CD1 4.15Å; L47-L98 HydrophobicContact CD1-CD2 3.82Å
48	D	87.5	Confident	93.2	Very high	34 Å²	34	22.6 Å²	22.6	18%	0.182	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	7.2	178.1	-157.8	41.9	0	0	0	114.3	C45 R46 S50 I80 Y188 K190	C45-D48 PolarHBondContact O-N 2.93Å; R46-D48 VanDerWaalsContact C-N 3.26Å; R46-D48 PolarHBondContact O-N 2.97Å; D48-S50 PolarHBondContact O-N 3.1Å; D48-I80 HydrophobicContact CB-CD1 4.5Å; D48-Y188 PolarHBondContact OD2-OH 3.45Å; D48-K190 VanDerWaalsContact O-CE 3.29Å; D48-K190 WeakPolarHBondContact O-CE 3.33Å; D48-K190 WeakPolarHBondContact OD1-CE 3.41Å; D48-K190 IonicContact OD1-NZ 3.98Å; D48-K190 PolarHBondContact OD1-NZ 2.78Å; D48-K190 VanDerWaalsContact OD2-CD 3.31Å; D48-K190 WeakPolarHBondContact OD2-CD 3.39Å; D48-K190 WeakPolarHBondContact OD2-CE 3.31Å; D48-K190 IonicContact OD2-NZ 3.88Å; D48-K190 PolarHBondContact OD2-NZ 2.88Å
49	N	90.5	Very high	93.3	Very high	81 Å²	81	24.3 Å²	24.3	43%	0.433	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.1	61.5	-175	-176.3	22.6	0	0	0	112.1	F21 Y44 C45 R46	F21-N49 WeakPolarHBondContact CZ-O 3.43Å; Y44-N49 PolarHBondContact OH-OD1 3.49Å; C45-N49 WeakPolarHBondContact O-CA 3.4Å; C45-N49 PolarHBondContact O-N 3.47Å; R46-N49 PolarHBondContact O-N 3.3Å
50	S	93.5	Very high	93.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.4	-172.4	55.4	0	0	0	0	112.4	Y44 C45 D48 Y188 V189	Y44-S50 VanDerWaalsContact CD2-O 3.23Å; Y44-S50 WeakPolarHBondContact CD2-O 3.25Å; C45-S50 PolarHBondContact N-O 2.92Å; C45-S50 PolarHBondContact O-N 3.24Å; D48-S50 PolarHBondContact O-N 3.1Å; S50-Y188 VanDerWaalsContact CB-CZ 3.5Å; S50-Y188 WeakPolarHBondContact CB-OH 3.42Å; S50-Y188 WeakPolarHBondContact OG-CE2 3.27Å; S50-Y188 PolarHBondContact OG-OH 3.48Å; S50-V189 CarbonylContact C-O 3.6Å; S50-V189 VanDerWaalsContact CA-O 3.3Å; S50-V189 WeakPolarHBondContact CA-O 3.48Å; S50-V189 WeakPolarHBondContact CB-O 3.31Å
51	Y	94.1	Very high	93.4	Very high	13 Å²	13	26.7 Å²	26.7	5%	0.051	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.8	-177.5	-64.6	-81.8	0	0	0	111.1	I18 F21 V22 G43 Y44 F53 L102 Y188 V189	I18-Y51 HydrophobicContact CB-CE1 4.46Å; I18-Y51 HydrophobicContact CG2-CD1 3.72Å; I18-Y51 HydrophobicContact CG2-CD2 4.23Å; I18-Y51 HydrophobicContact CG2-CE1 2.99Å; I18-Y51 HydrophobicContact CG2-CE2 3.63Å; I18-Y51 HydrophobicContact CG2-CG 4.28Å; I18-Y51 WeakPolarHBondContact CG2-OH 3.29Å; F21-Y51 HydrophobicContact CE1-CE2 4.3Å; F21-Y51 AromaticContact CE2-CD2 3.52Å; F21-Y51 HydrophobicContact CE2-CD2 3.52Å; F21-Y51 AromaticContact CE2-CE2 3.81Å; F21-Y51 HydrophobicContact CE2-CE2 3.81Å; F21-Y51 AromaticContact CZ-CD2 3.67Å; F21-Y51 HydrophobicContact CZ-CD2 3.67Å; F21-Y51 AromaticContact CZ-CE2 3.54Å; F21-Y51 HydrophobicContact CZ-CE2 3.54Å; V22-Y51 HydrophobicContact CG2-CD2 3.92Å; V22-Y51 HydrophobicContact CG2-CG 4.38Å; G43-Y51 CarbonylContact O-C 3.46Å; G43-Y51 WeakPolarHBondContact O-CA 3.2Å; Y44-Y51 AromaticContact CD2-CD1 3.76Å; Y44-Y51 HydrophobicContact CD2-CD1 3.76Å; Y44-Y51 HydrophobicContact CD2-CD2 4.38Å; Y44-Y51 AromaticContact CD2-CE1 3.19Å; Y44-Y51 HydrophobicContact CD2-CE1 3.19Å; Y44-Y51 AromaticContact CD2-CE2 3.88Å; Y44-Y51 HydrophobicContact CD2-CE2 3.88Å; Y44-Y51 HydrophobicContact CD2-CG 4.31Å; Y44-Y51 AromaticContact CD2-CZ 3.23Å; Y44-Y51 WeakPolarHBondContact CD2-OH 3.44Å; Y44-Y51 HydrophobicContact CE2-CE1 4.01Å; Y44-Y51 AromaticContact CE2-CE2 3.99Å; Y44-Y51 HydrophobicContact CE2-CE2 3.99Å; Y44-Y51 AromaticContact CE2-CZ 3.55Å; Y44-Y51 WeakPolarHBondContact CE2-OH 3.06Å; Y44-Y51 HydrophobicContact CG-CD1 4.31Å; Y44-Y51 AromaticContact CG-CE1 3.68Å; Y44-Y51 HydrophobicContact CG-CE1 3.68Å; Y51-F53 HydrophobicContact CG-CE2 4.47Å; Y51-L102 HydrophobicContact CD1-CD1 4.03Å; Y51-L102 HydrophobicContact CE1-CD1 4.36Å; Y51-Y188 CarbonylContact O-C 3.44Å; Y51-Y188 WeakPolarHBondContact O-CA 3.49Å; Y51-V189 PolarHBondContact N-O 3.25Å; Y51-V189 PolarHBondContact O-N 3.46Å
52	F	95.1	Very high	93.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136.1	169.6	-66.1	-81.7	0	0	0	109.6	E42 G43 C45 Y73 L76 V99 F147 V186 A187 Y188	E42-F52 CarbonylContact C-O 3.43Å; E42-F52 VanDerWaalsContact CA-O 3.28Å; E42-F52 WeakPolarHBondContact CA-O 3.18Å; G43-F52 PolarHBondContact N-O 3.23Å; G43-F52 PolarHBondContact O-N 3.38Å; C45-F52 HydrophobicContact CB-CD2 4.48Å; C45-F52 HydrophobicContact CB-CE2 3.95Å; F52-Y73 HydrophobicContact CB-CD1 4.02Å; F52-Y73 HydrophobicContact CB-CD2 3.69Å; F52-Y73 HydrophobicContact CB-CE1 3.75Å; F52-Y73 HydrophobicContact CB-CE2 3.39Å; F52-Y73 HydrophobicContact CB-CG 3.99Å; F52-Y73 VanDerWaalsContact CB-CZ 3.41Å; F52-Y73 HydrophobicContact CD1-CD1 4.37Å; F52-Y73 HydrophobicContact CD1-CE1 4.47Å; F52-Y73 HydrophobicContact CD2-CG 4.44Å; F52-Y73 HydrophobicContact CG-CD1 4.21Å; F52-Y73 HydrophobicContact CG-CD2 4.29Å; F52-Y73 HydrophobicContact CG-CE1 4.34Å; F52-Y73 HydrophobicContact CG-CE2 4.42Å; F52-Y73 HydrophobicContact CG-CG 4.18Å; F52-L76 HydrophobicContact CD1-CD1 4.1Å; F52-L76 HydrophobicContact CE1-CB 3.72Å; F52-L76 HydrophobicContact CE1-CD1 3.87Å; F52-L76 HydrophobicContact CE1-CG 4.41Å; F52-L76 HydrophobicContact CZ-CB 3.86Å; F52-V99 HydrophobicContact CD2-CG1 4.15Å; F52-V99 HydrophobicContact CD2-CG2 4.26Å; F52-V99 HydrophobicContact CE2-CG2 4.11Å; F52-F147 HydrophobicContact CE1-CE1 4.49Å; F52-F147 AromaticContact CE1-CZ 3.96Å; F52-F147 HydrophobicContact CE1-CZ 3.96Å; F52-V186 HydrophobicContact CD1-CG1 4.13Å; F52-A187 CarbonylContact C-O 3.57Å; F52-A187 VanDerWaalsContact CA-O 3.31Å; F52-A187 WeakPolarHBondContact CA-O 3.28Å; F52-Y188 AromaticContact CD1-CD2 3.68Å; F52-Y188 HydrophobicContact CD1-CD2 3.68Å; F52-Y188 HydrophobicContact CD1-CG 4.44Å; F52-Y188 HydrophobicContact CD2-CD2 4.48Å; F52-Y188 AromaticContact CE1-CD2 3.2Å; F52-Y188 HydrophobicContact CE1-CD2 3.2Å; F52-Y188 AromaticContact CE1-CE2 3.85Å; F52-Y188 HydrophobicContact CE1-CE2 3.85Å; F52-Y188 AromaticContact CE1-CG 4Å; F52-Y188 HydrophobicContact CE1-CG 4Å; F52-Y188 HydrophobicContact CE2-CD2 4.09Å; F52-Y188 HydrophobicContact CE2-CE2 4.06Å; F52-Y188 HydrophobicContact CG-CD2 4.3Å; F52-Y188 AromaticContact CZ-CD2 3.43Å; F52-Y188 HydrophobicContact CZ-CD2 3.43Å; F52-Y188 VanDerWaalsContact CZ-CD2 3.43Å; F52-Y188 AromaticContact CZ-CE2 3.56Å; F52-Y188 HydrophobicContact CZ-CE2 3.56Å
53	F	95.2	Very high	93.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.5	169.7	-58.6	-86.4	0	0	0	108.2	I18 V22 Y25 A41 E42 Y51 Y73 L102 V186 A187 L320 F425 I427	I18-F53 HydrophobicContact CD1-CZ 3.88Å; V22-F53 HydrophobicContact CG1-CE2 4.48Å; V22-F53 HydrophobicContact CG1-CZ 4.32Å; Y25-F53 AromaticContact CD1-CE1 3.77Å; Y25-F53 HydrophobicContact CD1-CE1 3.77Å; Y25-F53 HydrophobicContact CD1-CZ 4.25Å; Y25-F53 HydrophobicContact CD2-CD1 4.22Å; Y25-F53 AromaticContact CD2-CE1 3.81Å; Y25-F53 HydrophobicContact CD2-CE1 3.81Å; Y25-F53 HydrophobicContact CE1-CE1 4.12Å; Y25-F53 HydrophobicContact CE2-CE1 4.15Å; Y25-F53 HydrophobicContact CG-CD1 4.35Å; Y25-F53 AromaticContact CG-CE1 3.58Å; Y25-F53 HydrophobicContact CG-CE1 3.58Å; Y25-F53 HydrophobicContact CG-CZ 4.3Å; A41-F53 CarbonylContact O-C 3.59Å; A41-F53 WeakPolarHBondContact O-CA 3.17Å; E42-F53 HydrophobicContact CB-CD1 3.85Å; E42-F53 HydrophobicContact CB-CE1 4.14Å; Y51-F53 HydrophobicContact CG-CE2 4.47Å; F53-Y73 WeakPolarHBondContact CA-OH 3.44Å; F53-Y73 PolarHBondContact N-OH 3.3Å; F53-L102 HydrophobicContact CE1-CD1 4.45Å; F53-V186 CarbonylContact O-C 3.56Å; F53-V186 WeakPolarHBondContact O-CA 3.46Å; F53-A187 HydrophobicContact CB-CB 4.46Å; F53-A187 PolarHBondContact N-O 2.76Å; F53-A187 PolarHBondContact O-N 2.88Å; F53-L320 HydrophobicContact CB-CD2 4.43Å; F53-F425 HydrophobicContact CD1-CD1 4.1Å; F53-F425 HydrophobicContact CD1-CE1 4.05Å; F53-I427 HydrophobicContact CB-CD1 3.63Å; F53-I427 HydrophobicContact CB-CG1 4.47Å; F53-I427 HydrophobicContact CD1-CD1 4.18Å; F53-I427 HydrophobicContact CD1-CG1 4.14Å; F53-I427 HydrophobicContact CD2-CD1 3.57Å; F53-I427 HydrophobicContact CD2-CG1 4.06Å; F53-I427 HydrophobicContact CD2-CG2 4.44Å; F53-I427 HydrophobicContact CE1-CG1 4.41Å; F53-I427 HydrophobicContact CE2-CD1 4.26Å; F53-I427 HydrophobicContact CE2-CG1 4.31Å; F53-I427 HydrophobicContact CE2-CG2 4.04Å; F53-I427 HydrophobicContact CG-CD1 3.52Å; F53-I427 HydrophobicContact CG-CG1 3.97Å; F53-I427 HydrophobicContact CZ-CG1 4.48Å; F53-I427 HydrophobicContact CZ-CG2 4.36Å
54	G	96.8	Very high	94.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	134.1	-169.1	0	0	0	0	0	112.8	H40 A41 F56 Y73 C185 F425	H40-G54 WeakPolarHBondContact CA-O 3.36Å; A41-G54 PolarHBondContact N-O 3.38Å; A41-G54 PolarHBondContact O-N 3.33Å; G54-F56 WeakPolarHBondContact O-CE2 3.3Å; G54-Y73 WeakPolarHBondContact CA-OH 3.36Å; G54-Y73 PolarHBondContact N-OH 2.95Å; G54-C185 VanDerWaalsContact CA-O 3.31Å; G54-C185 WeakPolarHBondContact CA-O 3.39Å; G54-F425 VanDerWaalsContact O-CE2 3.3Å; G54-F425 WeakPolarHBondContact O-CE2 3.47Å
55	V	97.2	Very high	94.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.4	166.6	177.5	0	0	0	0	107.9	A184 C185 L320 T423 F425	V55-A184 WeakPolarHBondContact O-CA 3.48Å; V55-C185 PolarHBondContact N-O 3.27Å; V55-C185 PolarHBondContact O-N 3.13Å; V55-L320 HydrophobicContact CB-CG 4.38Å; V55-L320 HydrophobicContact CG2-CD2 3.94Å; V55-L320 HydrophobicContact CG2-CG 3.8Å; V55-T423 HydrophobicContact CB-CG2 4.48Å; V55-T423 HydrophobicContact CG1-CG2 3.99Å; V55-T423 HydrophobicContact CG2-CG2 3.87Å; V55-F425 HydrophobicContact CG2-CD2 3.63Å; V55-F425 HydrophobicContact CG2-CE2 3.91Å
56	F	98.1	Very high	94.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	96.4	-177.9	-49.7	-91.1	0	0	0	108	D38 Q39 A41 G54 A65 V68 A69 L72 Y73 C183 A184 V186	D38-F56 CarbonylContact C-O 3.24Å; D38-F56 WeakPolarHBondContact CA-O 3.47Å; Q39-F56 HydrophobicContact CB-CB 4.18Å; Q39-F56 HydrophobicContact CB-CD2 4.48Å; Q39-F56 PolarHBondContact N-O 3.13Å; Q39-F56 PolarHBondContact O-N 3.4Å; A41-F56 HydrophobicContact CB-CE2 3.62Å; A41-F56 HydrophobicContact CB-CZ 4.25Å; G54-F56 WeakPolarHBondContact O-CE2 3.3Å; F56-A65 HydrophobicContact CB-CB 4.27Å; F56-V68 HydrophobicContact CD1-CB 4.24Å; F56-V68 HydrophobicContact CD1-CG1 3.57Å; F56-V68 HydrophobicContact CE1-CG1 3.65Å; F56-A69 HydrophobicContact CD2-CB 3.48Å; F56-A69 VanDerWaalsContact CD2-CB 3.48Å; F56-A69 HydrophobicContact CE2-CB 3.68Å; F56-A69 HydrophobicContact CG-CB 3.97Å; F56-A69 HydrophobicContact CZ-CB 4.31Å; F56-L72 HydrophobicContact CE1-CD2 3.94Å; F56-Y73 HydrophobicContact CZ-CE1 4.2Å; F56-C183 VanDerWaalsContact CA-O 3.24Å; F56-C183 WeakPolarHBondContact CA-O 3.46Å; F56-A184 HydrophobicContact CD1-CB 3.66Å; F56-A184 HydrophobicContact CE1-CB 3.91Å; F56-V186 HydrophobicContact CE1-CG2 4.04Å; F56-V186 HydrophobicContact CZ-CG2 4.1Å
57	D	98.2	Very high	95.2	Very high	11 Å²	11	24.2 Å²	24.2	6%	0.059	14%	0.143	C	C	.	.			trans	-78.9	124.1	174.9	173.7	15.1	0	0	0	108.9	D38 S182 C183	D38-D57 VanDerWaalsContact OD1-CA 3.27Å; D38-D57 WeakPolarHBondContact OD1-CA 3.43Å; D38-D57 WeakPolarHBondContact OD1-CB 3.39Å; D57-S182 CarbonylContact O-C 3.35Å; D57-S182 WeakPolarHBondContact O-CA 3.22Å; D57-S182 PolarHBondContact O-OG 3.19Å; D57-C183 HydrophobicContact CB-CB 4.15Å; D57-C183 PolarHBondContact N-O 2.85Å; D57-C183 PolarHBondContact O-N 3.43Å
58	G	98.1	Very high	95.7	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	150.6	-175.1	0	0	0	0	0	111.1	E37 G181	E37-G58 WeakPolarHBondContact CB-O 3.35Å; G58-G181 WeakPolarHBondContact CA-O 3.45Å
59	H	97.5	Very high	96.1	Very high	38 Å²	38	19 Å²	19	18%	0.176	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	148.8	176.3	52.9	-95	0	0	0	112.4	G61 S180 G181 D267	H59-G61 PolarHBondContact O-N 3.46Å; H59-S180 WeakPolarHBondContact O-CA 3.23Å; H59-S180 WeakPolarHBondContact O-CB 3.33Å; H59-G181 PolarHBondContact N-O 2.76Å; H59-G181 WeakPolarHBondContact NE2-CA 3.45Å; H59-G181 PolarHBondContact O-N 2.96Å; H59-D267 IonicContact CD2-OD1 3.46Å; H59-D267 IonicContact CD2-OD2 2.74Å; H59-D267 IonicContact CE1-OD2 3.33Å; H59-D267 IonicContact NE2-OD1 3.38Å; H59-D267 IonicContact NE2-OD2 3.61Å; H59-D267 PolarHBondContact NE2-OD2 2.82Å
60	G	94.9	Very high	96.2	Very high	73 Å²	73	15.7 Å²	15.7	75%	0.753	10%	0.099	S	C	*	.	S	Bend	trans	71.7	19.4	-175.2	0	0	0	0	0	113.1	E37	E37-G60 PolarHBondContact OE1-N 3.42Å
61	G	95.2	Very high	96.3	Very high	11 Å²	11	15.9 Å²	15.9	11%	0.113	10%	0.099	C	C	.	.	S	Bend	trans	126.3	150.7	-173	0	0	0	0	0	112.6	E37 H59 E63 S180	E37-G61 WeakPolarHBondContact OE1-CA 3.29Å; E37-G61 PolarHBondContact OE1-N 3.35Å; H59-G61 PolarHBondContact O-N 3.46Å; G61-E63 VanDerWaalsContact C-N 3.26Å; G61-E63 WeakPolarHBondContact CA-OE2 3.47Å; G61-E63 PolarHBondContact O-N 3.37Å; G61-S180 WeakPolarHBondContact O-CB 3.47Å
62	P	95.6	Very high	96.4	Very high	5 Å²	5	15.2 Å²	15.2	3%	0.032	10%	0.097	C	C	.	.	S	Bend	trans	-78.2	-5.6	179.3	35.2	-41.2	0	0	0	114.2	P35 C36 A65 K66	P35-P62 HydrophobicContact CB-CG 4.25Å; P35-P62 HydrophobicContact CG-CG 3.67Å; C36-P62 WeakPolarHBondContact O-CB 3.3Å; P62-A65 PolarHBondContact O-N 3.29Å; P62-K66 HydrophobicContact CB-CD 4.22Å; P62-K66 WeakPolarHBondContact O-CB 3.38Å; P62-K66 VanDerWaalsContact O-CG 3.27Å; P62-K66 WeakPolarHBondContact O-CG 3.47Å; P62-K66 PolarHBondContact O-N 2.89Å
63	E	96.5	Very high	96.4	Very high	68 Å²	68	15.4 Å²	15.4	32%	0.318	10%	0.098	S	C	.	.	H	α-helix	trans	-63.5	-46.3	-166	-67.8	74.6	-166.4	0	0	112.1	G61 K66 A67 R176	G61-E63 VanDerWaalsContact C-N 3.26Å; G61-E63 WeakPolarHBondContact CA-OE2 3.47Å; G61-E63 PolarHBondContact O-N 3.37Å; E63-K66 PolarHBondContact O-N 2.71Å; E63-A67 WeakPolarHBondContact O-CB 3.39Å; E63-A67 PolarHBondContact O-N 3.19Å; E63-R176 HydrophobicContact CG-CB 4.29Å
64	C	98.1	Very high	96.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61	-51.1	176.5	-163.8	0	0	0	0	111.4	K66 A67 V68 T177 S180	C64-K66 VanDerWaalsContact C-N 3.29Å; C64-K66 PolarHBondContact O-N 2.66Å; C64-A67 PolarHBondContact O-N 3.11Å; C64-A67 VanDerWaalsContact O-N 3.07Å; C64-V68 VanDerWaalsContact O-CG2 3.32Å; C64-V68 WeakPolarHBondContact O-CG2 3.37Å; C64-V68 PolarHBondContact O-N 3.34Å; C64-T177 VanDerWaalsContact CB-O 3.28Å; C64-T177 WeakPolarHBondContact CB-O 3.3Å; C64-S180 VanDerWaalsContact CB-OG 3.3Å; C64-S180 WeakPolarHBondContact CB-OG 3.39Å; C64-S180 PolarHBondContact N-OG 3.03Å
65	A	97.7	Very high	96.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59	-40.5	-179	0	0	0	0	0	111.9	E37 Q39 F56 P62 V68 A69 S182	E37-A65 WeakPolarHBondContact O-CB 3.29Å; Q39-A65 HydrophobicContact CB-CB 4.22Å; Q39-A65 HydrophobicContact CG-CB 3.69Å; F56-A65 HydrophobicContact CB-CB 4.27Å; P62-A65 PolarHBondContact O-N 3.29Å; A65-V68 PolarHBondContact O-N 2.82Å; A65-A69 WeakPolarHBondContact O-CB 3.48Å; A65-A69 PolarHBondContact O-N 3.07Å; A65-S182 WeakPolarHBondContact CA-OG 3.47Å
66	K	95.9	Very high	96.1	Very high	85 Å²	85	16.1 Å²	16.1	37%	0.37	10%	0.101	S	C	.	.	H	α-helix	trans	-63.9	-43.5	174.6	-73.8	172.4	177.3	169	0	112.4	Q39 P62 E63 C64 S70	Q39-K66 HydrophobicContact CG-CG 3.85Å; P62-K66 HydrophobicContact CB-CD 4.22Å; P62-K66 WeakPolarHBondContact O-CB 3.38Å; P62-K66 VanDerWaalsContact O-CG 3.27Å; P62-K66 WeakPolarHBondContact O-CG 3.47Å; P62-K66 PolarHBondContact O-N 2.89Å; E63-K66 PolarHBondContact O-N 2.71Å; C64-K66 VanDerWaalsContact C-N 3.29Å; C64-K66 PolarHBondContact O-N 2.66Å; K66-S70 WeakPolarHBondContact O-CB 3.27Å; K66-S70 PolarHBondContact O-N 2.77Å; K66-S70 PolarHBondContact O-OG 2.94Å
67	A	96.5	Very high	95.9	Very high	12 Å²	12	16.1 Å²	16.1	10%	0.099	10%	0.101	C	C	.	.	H	α-helix	trans	-64.8	-43.5	178.1	0	0	0	0	0	111.4	E63 C64 S70 R71 L158 T177	E63-A67 WeakPolarHBondContact O-CB 3.39Å; E63-A67 PolarHBondContact O-N 3.19Å; C64-A67 PolarHBondContact O-N 3.11Å; C64-A67 VanDerWaalsContact O-N 3.07Å; A67-S70 PolarHBondContact O-OG 3.49Å; A67-S70 VanDerWaalsContact O-OG 3.05Å; A67-R71 VanDerWaalsContact O-CB 3.3Å; A67-R71 WeakPolarHBondContact O-CB 3.36Å; A67-R71 WeakPolarHBondContact O-CD 3.36Å; A67-R71 VanDerWaalsContact O-CG 3.29Å; A67-R71 WeakPolarHBondContact O-CG 3.44Å; A67-R71 PolarHBondContact O-N 2.89Å; A67-L158 HydrophobicContact CB-CD2 3.96Å; A67-T177 HydrophobicContact CB-CG2 3.54Å
68	V	97.5	Very high	95.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.2	-50.1	178.8	178.5	0	0	0	0	111	F56 C64 A65 S70 R71 L72 L154 L158 F265	F56-V68 HydrophobicContact CD1-CB 4.24Å; F56-V68 HydrophobicContact CD1-CG1 3.57Å; F56-V68 HydrophobicContact CE1-CG1 3.65Å; C64-V68 VanDerWaalsContact O-CG2 3.32Å; C64-V68 WeakPolarHBondContact O-CG2 3.37Å; C64-V68 PolarHBondContact O-N 3.34Å; A65-V68 PolarHBondContact O-N 2.82Å; V68-S70 PolarHBondContact O-N 3.43Å; V68-S70 VanDerWaalsContact O-N 3.15Å; V68-R71 PolarHBondContact O-N 2.84Å; V68-R71 VanDerWaalsContact O-N 3.15Å; V68-L72 HydrophobicContact CG1-CB 4.07Å; V68-L72 HydrophobicContact CG1-CD2 3.93Å; V68-L72 VanDerWaalsContact O-CB 3.23Å; V68-L72 WeakPolarHBondContact O-CB 3.45Å; V68-L72 PolarHBondContact O-N 2.94Å; V68-L154 HydrophobicContact CB-CD2 4.48Å; V68-L154 HydrophobicContact CG1-CD2 4.21Å; V68-L154 HydrophobicContact CG2-CD2 4.36Å; V68-L158 HydrophobicContact CG2-CD1 4.22Å; V68-F265 HydrophobicContact CB-CD2 4.44Å; V68-F265 HydrophobicContact CG1-CD2 3.79Å; V68-F265 HydrophobicContact CG1-CE2 3.67Å; V68-F265 HydrophobicContact CG1-CG 4.36Å; V68-F265 HydrophobicContact CG1-CZ 4.15Å; V68-F265 HydrophobicContact CG2-CB 3.71Å; V68-F265 HydrophobicContact CG2-CD1 4Å; V68-F265 HydrophobicContact CG2-CD2 3.78Å; V68-F265 HydrophobicContact CG2-CE2 4.37Å; V68-F265 HydrophobicContact CG2-CG 3.57Å
69	A	95.5	Very high	95.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.2	-29.2	-179.1	0	0	0	0	0	113.6	Q39 A41 F56 A65 R101	Q39-A69 HydrophobicContact CB-CB 3.93Å; A41-A69 HydrophobicContact CB-CB 4.47Å; A41-A69 WeakPolarHBondContact CB-O 3.39Å; F56-A69 HydrophobicContact CD2-CB 3.48Å; F56-A69 VanDerWaalsContact CD2-CB 3.48Å; F56-A69 HydrophobicContact CE2-CB 3.68Å; F56-A69 HydrophobicContact CG-CB 3.97Å; F56-A69 HydrophobicContact CZ-CB 4.31Å; A65-A69 WeakPolarHBondContact O-CB 3.48Å; A65-A69 PolarHBondContact O-N 3.07Å; A69-R101 PolarHBondContact O-NH1 3.4Å; A69-R101 VanDerWaalsContact O-NH1 3.11Å; A69-R101 PolarHBondContact O-NH2 3.08Å
70	S	92.9	Very high	94.9	Very high	13 Å²	13	15.5 Å²	15.5	9%	0.091	10%	0.099	C	C	.	.	H	α-helix	trans	-87.9	-21.7	179.7	57.9	0	0	0	0	114.7	K66 A67 V68 S108 L109 V110	K66-S70 WeakPolarHBondContact O-CB 3.27Å; K66-S70 PolarHBondContact O-N 2.77Å; K66-S70 PolarHBondContact O-OG 2.94Å; A67-S70 PolarHBondContact O-OG 3.49Å; A67-S70 VanDerWaalsContact O-OG 3.05Å; V68-S70 PolarHBondContact O-N 3.43Å; V68-S70 VanDerWaalsContact O-N 3.15Å; S70-S108 WeakPolarHBondContact CA-O 3.16Å; S70-S108 VanDerWaalsContact CB-O 3.23Å; S70-S108 WeakPolarHBondContact CB-O 3.41Å; S70-L109 VanDerWaalsContact CB-C 3.45Å; S70-V110 WeakPolarHBondContact O-CG2 3.27Å
71	R	94.7	Very high	94.6	Very high	3 Å²	3	12.5 Å²	12.5	1%	0.011	7%	0.066	C	C	.	.	H	α-helix	trans	-118.6	-30.8	-168.6	-64.1	172.2	63.4	175.8	-6.5	114.5	A67 V68 Y73 D74 Y75 V110 H118 N121 L154 L158 E161	A67-R71 VanDerWaalsContact O-CB 3.3Å; A67-R71 WeakPolarHBondContact O-CB 3.36Å; A67-R71 WeakPolarHBondContact O-CD 3.36Å; A67-R71 VanDerWaalsContact O-CG 3.29Å; A67-R71 WeakPolarHBondContact O-CG 3.44Å; A67-R71 PolarHBondContact O-N 2.89Å; V68-R71 PolarHBondContact O-N 2.84Å; V68-R71 VanDerWaalsContact O-N 3.15Å; R71-Y73 VanDerWaalsContact C-N 3.29Å; R71-Y73 PolarHBondContact O-N 3.23Å; R71-D74 PolarHBondContact O-N 3.41Å; R71-Y75 WeakPolarHBondContact O-CD2 3.48Å; R71-V110 HydrophobicContact CG-CG2 3.72Å; R71-H118 PolarHBondContact NE-ND1 2.96Å; R71-H118 VanDerWaalsContact NE-ND1 3.12Å; R71-N121 PolarHBondContact NH2-ND2 3.45Å; R71-L154 HydrophobicContact CB-CD1 3.86Å; R71-L158 VanDerWaalsContact NH1-CD2 3.28Å; R71-E161 IonicContact CZ-OE1 3.93Å; R71-E161 IonicContact CZ-OE2 2.8Å; R71-E161 VanDerWaalsContact NH1-CD 3.33Å; R71-E161 IonicContact NH1-OE1 3.75Å; R71-E161 PolarHBondContact NH1-OE1 2.86Å; R71-E161 VanDerWaalsContact NH1-OE1 3.07Å; R71-E161 IonicContact NH1-OE2 3.75Å; R71-E161 PolarHBondContact NH1-OE2 2.69Å; R71-E161 IonicContact NH2-OE1 2.74Å; R71-E161 PolarHBondContact NH2-OE1 3.46Å; R71-E161 IonicContact NH2-OE2 3.29Å
72	L	96.7	Very high	94.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.3	-35	-168.8	-179.2	61.4	0	0	0	113.8	F56 V68 D74 Y75 L76 F151 L154 V186 F265	F56-L72 HydrophobicContact CE1-CD2 3.94Å; V68-L72 HydrophobicContact CG1-CB 4.07Å; V68-L72 HydrophobicContact CG1-CD2 3.93Å; V68-L72 VanDerWaalsContact O-CB 3.23Å; V68-L72 WeakPolarHBondContact O-CB 3.45Å; V68-L72 PolarHBondContact O-N 2.94Å; L72-D74 VanDerWaalsContact C-N 3.28Å; L72-D74 PolarHBondContact O-N 3.42Å; L72-Y75 PolarHBondContact O-N 2.95Å; L72-L76 HydrophobicContact CD1-CD1 4.49Å; L72-L76 HydrophobicContact CD1-CG 4.24Å; L72-L76 HydrophobicContact CD2-CD1 4.3Å; L72-L76 HydrophobicContact CG-CD1 3.9Å; L72-L76 HydrophobicContact CG-CG 4.12Å; L72-L76 WeakPolarHBondContact O-CG 3.21Å; L72-L76 PolarHBondContact O-N 3.06Å; L72-F151 HydrophobicContact CD1-CD2 3.86Å; L72-F151 HydrophobicContact CD1-CE2 4.1Å; L72-F151 HydrophobicContact CD1-CG 4.27Å; L72-F151 HydrophobicContact CD2-CD2 4.4Å; L72-F151 HydrophobicContact CD2-CE1 4.27Å; L72-F151 HydrophobicContact CD2-CE2 3.86Å; L72-F151 HydrophobicContact CD2-CZ 3.78Å; L72-F151 HydrophobicContact CG-CE2 4.4Å; L72-L154 HydrophobicContact CB-CD2 3.72Å; L72-L154 HydrophobicContact CD1-CB 4.48Å; L72-L154 HydrophobicContact CD1-CD2 3.76Å; L72-L154 HydrophobicContact CG-CD2 4.3Å; L72-V186 HydrophobicContact CD2-CG2 4Å; L72-F265 HydrophobicContact CD1-CZ 4.03Å; L72-F265 HydrophobicContact CD2-CE2 4.37Å; L72-F265 HydrophobicContact CD2-CZ 4.3Å
73	Y	95.1	Very high	93.7	Very high	4 Å²	4	18 Å²	18	2%	0.016	9%	0.094	C	C	.	.	H	α-helix	trans	-65	-31.5	-176.6	-71	0.1	0	0	0	113.1	A41 F52 F53 G54 F56 R71 L76 A77 V99 V186	A41-Y73 HydrophobicContact CB-CE2 3.75Å; A41-Y73 PolarHBondContact O-OH 3.44Å; F52-Y73 HydrophobicContact CB-CD1 4.02Å; F52-Y73 HydrophobicContact CB-CD2 3.69Å; F52-Y73 HydrophobicContact CB-CE1 3.75Å; F52-Y73 HydrophobicContact CB-CE2 3.39Å; F52-Y73 HydrophobicContact CB-CG 3.99Å; F52-Y73 VanDerWaalsContact CB-CZ 3.41Å; F52-Y73 HydrophobicContact CD1-CD1 4.37Å; F52-Y73 HydrophobicContact CD1-CE1 4.47Å; F52-Y73 HydrophobicContact CD2-CG 4.44Å; F52-Y73 HydrophobicContact CG-CD1 4.21Å; F52-Y73 HydrophobicContact CG-CD2 4.29Å; F52-Y73 HydrophobicContact CG-CE1 4.34Å; F52-Y73 HydrophobicContact CG-CE2 4.42Å; F52-Y73 HydrophobicContact CG-CG 4.18Å; F53-Y73 WeakPolarHBondContact CA-OH 3.44Å; F53-Y73 PolarHBondContact N-OH 3.3Å; G54-Y73 WeakPolarHBondContact CA-OH 3.36Å; G54-Y73 PolarHBondContact N-OH 2.95Å; F56-Y73 HydrophobicContact CZ-CE1 4.2Å; R71-Y73 VanDerWaalsContact C-N 3.29Å; R71-Y73 PolarHBondContact O-N 3.23Å; Y73-L76 HydrophobicContact CD1-CD1 4.13Å; Y73-L76 PolarHBondContact O-N 3.22Å; Y73-A77 VanDerWaalsContact O-CB 3.25Å; Y73-A77 WeakPolarHBondContact O-CB 3.47Å; Y73-A77 PolarHBondContact O-N 3.46Å; Y73-V99 HydrophobicContact CD2-CG1 4.06Å; Y73-V186 HydrophobicContact CE1-CG1 3.76Å; Y73-V186 HydrophobicContact CE1-CG2 4.36Å
74	D	92.8	Very high	93.2	Very high	15 Å²	15	21.1 Å²	21.1	8%	0.08	11%	0.108	C	C	.	.	H	α-helix	trans	-67.8	-41.3	175.2	-66.7	-36	0	0	0	111.1	R71 L72 A77 L78 L98 H118 I122	R71-D74 PolarHBondContact O-N 3.41Å; L72-D74 VanDerWaalsContact C-N 3.28Å; L72-D74 PolarHBondContact O-N 3.42Å; D74-A77 PolarHBondContact O-N 3.35Å; D74-L78 WeakPolarHBondContact O-CB 3.4Å; D74-L78 VanDerWaalsContact O-CG 3.27Å; D74-L78 WeakPolarHBondContact O-CG 3.49Å; D74-L78 PolarHBondContact O-N 3.47Å; D74-L98 HydrophobicContact CB-CD1 4.39Å; D74-H118 IonicContact OD2-CD2 2.76Å; D74-H118 IonicContact OD2-CE1 2.76Å; D74-H118 IonicContact OD2-NE2 3.85Å; D74-H118 PolarHBondContact OD2-NE2 3.02Å; D74-I122 HydrophobicContact CB-CG2 4.1Å
75	Y	94.9	Very high	92.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.6	-44.1	174.4	-73.2	-102.4	0	0	0	111.1	R71 L72 S79 H118 N121 I122 F125 A153 L154 D157	R71-Y75 WeakPolarHBondContact O-CD2 3.48Å; L72-Y75 PolarHBondContact O-N 2.95Å; Y75-S79 VanDerWaalsContact O-CB 3.29Å; Y75-S79 WeakPolarHBondContact O-CB 3.48Å; Y75-S79 PolarHBondContact O-N 3.13Å; Y75-S79 PolarHBondContact O-OG 3.42Å; Y75-H118 AromaticContact CE2-CE1 3.87Å; Y75-N121 VanDerWaalsContact OH-CB 3.31Å; Y75-N121 WeakPolarHBondContact OH-CB 3.5Å; Y75-I122 HydrophobicContact CD2-CG2 4.04Å; Y75-I122 HydrophobicContact CE2-CG2 3.68Å; Y75-F125 HydrophobicContact CD1-CB 4.25Å; Y75-F125 AromaticContact CD1-CD1 3.92Å; Y75-F125 HydrophobicContact CD1-CD1 3.92Å; Y75-F125 HydrophobicContact CD1-CD2 4.13Å; Y75-F125 HydrophobicContact CD1-CE1 4.3Å; Y75-F125 HydrophobicContact CD1-CE2 4.48Å; Y75-F125 AromaticContact CD1-CG 3.82Å; Y75-F125 HydrophobicContact CD1-CG 3.82Å; Y75-F125 HydrophobicContact CE1-CB 4.1Å; Y75-F125 HydrophobicContact CE1-CD2 4.47Å; Y75-F125 HydrophobicContact CE1-CG 4.15Å; Y75-F125 WeakPolarHBondContact O-CE1 3.37Å; Y75-A153 HydrophobicContact CD1-CB 3.95Å; Y75-A153 HydrophobicContact CE1-CB 4.02Å; Y75-L154 HydrophobicContact CD1-CB 4.31Å; Y75-L154 HydrophobicContact CD2-CB 4.18Å; Y75-L154 HydrophobicContact CD2-CD1 4.13Å; Y75-L154 HydrophobicContact CE1-CB 4.34Å; Y75-L154 HydrophobicContact CE2-CB 4.22Å; Y75-L154 HydrophobicContact CE2-CD1 3.63Å; Y75-L154 HydrophobicContact CE2-CG 4.49Å; Y75-L154 HydrophobicContact CG-CB 4.22Å; Y75-D157 WeakPolarHBondContact CE1-OD2 3.29Å; Y75-D157 PolarHBondContact OH-OD2 3.39Å
76	L	95.5	Very high	92.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.3	-48.1	177.4	-68.7	172.9	0	0	0	111.4	F52 L72 Y73 S79 F147 A150 F151 V186	F52-L76 HydrophobicContact CD1-CD1 4.1Å; F52-L76 HydrophobicContact CE1-CB 3.72Å; F52-L76 HydrophobicContact CE1-CD1 3.87Å; F52-L76 HydrophobicContact CE1-CG 4.41Å; F52-L76 HydrophobicContact CZ-CB 3.86Å; L72-L76 HydrophobicContact CD1-CD1 4.49Å; L72-L76 HydrophobicContact CD1-CG 4.24Å; L72-L76 HydrophobicContact CD2-CD1 4.3Å; L72-L76 HydrophobicContact CG-CD1 3.9Å; L72-L76 HydrophobicContact CG-CG 4.12Å; L72-L76 WeakPolarHBondContact O-CG 3.21Å; L72-L76 PolarHBondContact O-N 3.06Å; Y73-L76 HydrophobicContact CD1-CD1 4.13Å; Y73-L76 PolarHBondContact O-N 3.22Å; L76-S79 PolarHBondContact O-N 3.14Å; L76-S79 PolarHBondContact O-OG 3.45Å; L76-F147 HydrophobicContact CB-CD1 4.37Å; L76-F147 HydrophobicContact CB-CE1 4.07Å; L76-F147 HydrophobicContact CD2-CB 3.85Å; L76-F147 HydrophobicContact CD2-CD1 3.4Å; L76-F147 HydrophobicContact CD2-CD2 4.11Å; L76-F147 HydrophobicContact CD2-CE1 3.86Å; L76-F147 HydrophobicContact CD2-CG 3.53Å; L76-F147 HydrophobicContact CD2-CZ 4.39Å; L76-F147 HydrophobicContact CG-CD1 4.47Å; L76-A150 HydrophobicContact CD2-CB 3.72Å; L76-A150 HydrophobicContact CG-CB 4.29Å; L76-F151 HydrophobicContact CD1-CE2 4.37Å; L76-F151 HydrophobicContact CD2-CD2 3.98Å; L76-F151 HydrophobicContact CD2-CE2 3.82Å; L76-V186 HydrophobicContact CD1-CG1 4Å
77	A	93.2	Very high	91.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.6	-52.3	177.4	0	0	0	0	0	111	Y73 D74 S79 I80 L81 L98 V99	Y73-A77 VanDerWaalsContact O-CB 3.25Å; Y73-A77 WeakPolarHBondContact O-CB 3.47Å; Y73-A77 PolarHBondContact O-N 3.46Å; D74-A77 PolarHBondContact O-N 3.35Å; A77-S79 VanDerWaalsContact C-N 3.26Å; A77-S79 PolarHBondContact O-N 3.25Å; A77-I80 WeakPolarHBondContact O-CG1 3.4Å; A77-I80 PolarHBondContact O-N 2.92Å; A77-L81 WeakPolarHBondContact O-CG 3.41Å; A77-L81 PolarHBondContact O-N 2.65Å; A77-L98 HydrophobicContact CB-CB 4.48Å; A77-V99 HydrophobicContact CB-CG2 3.72Å
78	L	91.6	Very high	91.2	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-58.2	-38.6	177.9	-72.8	171.9	0	0	0	112.7	D74 I80 L81 L86 I89 L98 I122 F125 A126	D74-L78 WeakPolarHBondContact O-CB 3.4Å; D74-L78 VanDerWaalsContact O-CG 3.27Å; D74-L78 WeakPolarHBondContact O-CG 3.49Å; D74-L78 PolarHBondContact O-N 3.47Å; L78-I80 PolarHBondContact O-N 3.44Å; L78-I80 VanDerWaalsContact O-N 3.15Å; L78-L81 HydrophobicContact CD2-CD1 4.31Å; L78-L81 PolarHBondContact O-N 3.16Å; L78-L86 HydrophobicContact CB-CD2 4.25Å; L78-L86 HydrophobicContact CD2-CD2 3.62Å; L78-L86 WeakPolarHBondContact O-CD2 3.4Å; L78-I89 HydrophobicContact CD2-CD1 3.8Å; L78-I89 HydrophobicContact CD2-CG2 4.03Å; L78-L98 HydrophobicContact CD1-CD1 3.8Å; L78-L98 HydrophobicContact CD2-CD1 3.45Å; L78-L98 VanDerWaalsContact CD2-CD1 3.45Å; L78-L98 HydrophobicContact CG-CD1 3.38Å; L78-I122 HydrophobicContact CD1-CB 3.66Å; L78-I122 HydrophobicContact CD1-CG1 4.46Å; L78-I122 HydrophobicContact CD1-CG2 4.44Å; L78-I122 WeakPolarHBondContact CD1-O 3.38Å; L78-F125 HydrophobicContact CB-CD1 4.01Å; L78-F125 HydrophobicContact CB-CE1 3.98Å; L78-F125 HydrophobicContact CD1-CD1 4.23Å; L78-A126 HydrophobicContact CD1-CB 4.36Å; L78-A126 HydrophobicContact CD2-CB 4.28Å
79	S	92	Very high	90.6	Very high	6 Å²	6	28.4 Å²	28.4	4%	0.042	14%	0.141	C	C	.	.	H	α-helix	trans	-63.8	-22.9	-175.6	74.8	0	0	0	0	114.2	Y75 L76 A77 A146	Y75-S79 VanDerWaalsContact O-CB 3.29Å; Y75-S79 WeakPolarHBondContact O-CB 3.48Å; Y75-S79 PolarHBondContact O-N 3.13Å; Y75-S79 PolarHBondContact O-OG 3.42Å; L76-S79 PolarHBondContact O-N 3.14Å; L76-S79 PolarHBondContact O-OG 3.45Å; A77-S79 VanDerWaalsContact C-N 3.26Å; A77-S79 PolarHBondContact O-N 3.25Å; S79-A146 WeakPolarHBondContact CB-O 3.5Å; S79-A146 VanDerWaalsContact O-CB 3.31Å; S79-A146 WeakPolarHBondContact O-CB 3.47Å; S79-A146 PolarHBondContact OG-O 2.99Å
80	I	90.9	Very high	90	Very high	29 Å²	29	30.6 Å²	30.6	15%	0.149	16%	0.155	C	C	.	.	H	α-helix	trans	-106.5	-7.3	-177.4	62	171.2	0	0	0	113.7	D48 A77 L78 V143 A146 F147 Y188	D48-I80 HydrophobicContact CB-CD1 4.5Å; A77-I80 WeakPolarHBondContact O-CG1 3.4Å; A77-I80 PolarHBondContact O-N 2.92Å; L78-I80 PolarHBondContact O-N 3.44Å; L78-I80 VanDerWaalsContact O-N 3.15Å; I80-V143 HydrophobicContact CG2-CG1 4.31Å; I80-V143 HydrophobicContact CG2-CG2 4.26Å; I80-A146 HydrophobicContact CG2-CB 3.81Å; I80-F147 HydrophobicContact CG2-CD1 4.04Å; I80-F147 HydrophobicContact CG2-CE1 3.59Å; I80-Y188 HydrophobicContact CD1-CE1 4.31Å; I80-Y188 HydrophobicContact CD1-CE2 3.89Å; I80-Y188 VanDerWaalsContact CD1-OH 3.24Å; I80-Y188 WeakPolarHBondContact CD1-OH 3.16Å
81	L	88.5	Confident	89.5	Confident	10 Å²	10	35.2 Å²	35.2	5%	0.052	19%	0.186	C	C	.	.	S	Bend	trans	-72.8	145.5	-179	-73.3	173.6	0	0	0	111.9	L47 A77 L78 V85 L86 I89	L47-L81 HydrophobicContact CB-CD1 4.45Å; L47-L81 HydrophobicContact CB-CD2 3.62Å; L47-L81 HydrophobicContact CD1-CD1 3.63Å; L47-L81 HydrophobicContact CD1-CD2 4.33Å; A77-L81 WeakPolarHBondContact O-CG 3.41Å; A77-L81 PolarHBondContact O-N 2.65Å; L78-L81 HydrophobicContact CD2-CD1 4.31Å; L78-L81 PolarHBondContact O-N 3.16Å; L81-V85 HydrophobicContact CB-CB 4.46Å; L81-V85 HydrophobicContact CD1-CG1 4.09Å; L81-V85 HydrophobicContact CD2-CG1 4.4Å; L81-L86 HydrophobicContact CB-CD2 4Å; L81-L86 HydrophobicContact CB-CG 4.15Å; L81-L86 HydrophobicContact CD1-CD2 4.48Å; L81-I89 HydrophobicContact CD1-CD1 3.68Å
82	P	85.7	Confident	88.5	Confident	61 Å²	61	41.3 Å²	41.3	40%	0.396	22%	0.218	S	C	.	.			trans	-58.8	148.5	172.8	-23.2	33.6	0	0	0	112.5	H84 V85 L86	P82-H84 VanDerWaalsContact C-N 3.25Å; P82-H84 WeakPolarHBondContact CB-CE1 3.29Å; P82-H84 PolarHBondContact O-N 2.99Å; P82-H84 VanDerWaalsContact O-N 3.14Å; P82-V85 HydrophobicContact CB-CG2 4.28Å; P82-V85 HydrophobicContact CG-CG2 4.31Å; P82-V85 WeakPolarHBondContact O-CB 3.43Å; P82-V85 PolarHBondContact O-N 3.18Å; P82-L86 PolarHBondContact O-N 3.39Å; P82-L86 VanDerWaalsContact O-N 3.07Å
83	E	85.9	Confident	87.1	Confident	72 Å²	72	42.3 Å²	42.3	34%	0.336	23%	0.228	S	C	.	.	H	α-helix	trans	-54.9	-37.5	-177.1	-170.7	-171.5	144.4	0	0	113.6	V85 L86 K87 I130	E83-V85 VanDerWaalsContact C-N 3.34Å; E83-V85 PolarHBondContact O-N 3.18Å; E83-L86 PolarHBondContact O-N 2.97Å; E83-K87 WeakPolarHBondContact O-CG 3.42Å; E83-K87 PolarHBondContact O-N 2.99Å; E83-K87 WeakPolarHBondContact OE1-CE 3.27Å; E83-K87 IonicContact OE1-NZ 3.32Å; E83-K87 PolarHBondContact OE1-NZ 2.87Å; E83-I130 HydrophobicContact CG-CG1 4.32Å; E83-I130 HydrophobicContact CG-CG2 4.16Å
84	H	86.4	Confident	85.5	Confident	133 Å²	133	42.2 Å²	42.2	62%	0.616	23%	0.228	S	C	*	.	H	α-helix	trans	-65.2	-37.7	178.9	66.2	-90.6	0	0	0	112.3	P82 K87 E88	P82-H84 VanDerWaalsContact C-N 3.25Å; P82-H84 WeakPolarHBondContact CB-CE1 3.29Å; P82-H84 PolarHBondContact O-N 2.99Å; P82-H84 VanDerWaalsContact O-N 3.14Å; H84-K87 PolarHBondContact O-N 3.26Å; H84-E88 PolarHBondContact O-N 3.4Å; H84-E88 VanDerWaalsContact O-N 3.14Å
85	V	87.1	Confident	84.2	Confident	25 Å²	25	48.8 Å²	48.8	15%	0.152	26%	0.263	C	S	.	.	H	α-helix	trans	-68.7	-41	175	-174.9	0	0	0	0	110.1	L47 L81 P82 E83 K87 E88 I89	L47-V85 HydrophobicContact CD1-CG1 4.46Å; L81-V85 HydrophobicContact CB-CB 4.46Å; L81-V85 HydrophobicContact CD1-CG1 4.09Å; L81-V85 HydrophobicContact CD2-CG1 4.4Å; P82-V85 HydrophobicContact CB-CG2 4.28Å; P82-V85 HydrophobicContact CG-CG2 4.31Å; P82-V85 WeakPolarHBondContact O-CB 3.43Å; P82-V85 PolarHBondContact O-N 3.18Å; E83-V85 VanDerWaalsContact C-N 3.34Å; E83-V85 PolarHBondContact O-N 3.18Å; V85-K87 VanDerWaalsContact C-N 3.34Å; V85-K87 PolarHBondContact O-N 3.05Å; V85-E88 WeakPolarHBondContact O-CB 3.44Å; V85-E88 PolarHBondContact O-N 2.85Å; V85-I89 HydrophobicContact CG1-CD1 4.01Å; V85-I89 WeakPolarHBondContact O-CG1 3.46Å; V85-I89 PolarHBondContact O-N 2.83Å
86	L	87	Confident	82.6	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-42.2	175.7	-67.9	177.5	0	0	0	112.2	L78 L81 P82 E83 E88 I89 V90 A126 I130	L78-L86 HydrophobicContact CB-CD2 4.25Å; L78-L86 HydrophobicContact CD2-CD2 3.62Å; L78-L86 WeakPolarHBondContact O-CD2 3.4Å; L81-L86 HydrophobicContact CB-CD2 4Å; L81-L86 HydrophobicContact CB-CG 4.15Å; L81-L86 HydrophobicContact CD1-CD2 4.48Å; P82-L86 PolarHBondContact O-N 3.39Å; P82-L86 VanDerWaalsContact O-N 3.07Å; E83-L86 PolarHBondContact O-N 2.97Å; L86-E88 VanDerWaalsContact C-N 3.31Å; L86-E88 PolarHBondContact O-N 3.37Å; L86-I89 PolarHBondContact O-N 3.42Å; L86-V90 VanDerWaalsContact O-CG2 3.29Å; L86-V90 WeakPolarHBondContact O-CG2 3.24Å; L86-V90 PolarHBondContact O-N 3.01Å; L86-A126 HydrophobicContact CD2-CB 4.2Å; L86-I130 HydrophobicContact CB-CD1 3.87Å; L86-I130 HydrophobicContact CB-CG1 3.84Å; L86-I130 HydrophobicContact CD1-CG1 4.31Å
87	K	87	Confident	81.3	Confident	100 Å²	100	57.5 Å²	57.5	44%	0.435	31%	0.31	S	S	.	.	H	α-helix	trans	-60.8	-41.9	175.2	-75.9	176.3	-178.5	168.3	0	111.5	E83 H84 V85 V90 C91 I130	E83-K87 WeakPolarHBondContact O-CG 3.42Å; E83-K87 PolarHBondContact O-N 2.99Å; E83-K87 WeakPolarHBondContact OE1-CE 3.27Å; E83-K87 IonicContact OE1-NZ 3.32Å; E83-K87 PolarHBondContact OE1-NZ 2.87Å; H84-K87 PolarHBondContact O-N 3.26Å; V85-K87 VanDerWaalsContact C-N 3.34Å; V85-K87 PolarHBondContact O-N 3.05Å; K87-V90 PolarHBondContact O-N 3.07Å; K87-C91 VanDerWaalsContact O-CB 3.31Å; K87-C91 WeakPolarHBondContact O-CB 3.46Å; K87-C91 PolarHBondContact O-N 3.19Å; K87-C91 PolarHBondContact O-SG 2.93Å; K87-I130 HydrophobicContact CG-CD1 3.87Å
88	E	85.2	Confident	80.8	Confident	112 Å²	112	57.8 Å²	57.8	52%	0.523	31%	0.311	S	S	.	.	H	α-helix	trans	-62.6	-46.8	176.5	-174.6	174.3	-173.7	0	0	111.9	H84 V85 L86 V90 C91 L92	H84-E88 PolarHBondContact O-N 3.4Å; H84-E88 VanDerWaalsContact O-N 3.14Å; V85-E88 WeakPolarHBondContact O-CB 3.44Å; V85-E88 PolarHBondContact O-N 2.85Å; L86-E88 VanDerWaalsContact C-N 3.31Å; L86-E88 PolarHBondContact O-N 3.37Å; E88-V90 VanDerWaalsContact C-N 3.34Å; E88-V90 PolarHBondContact O-N 2.77Å; E88-C91 PolarHBondContact O-N 3.45Å; E88-L92 HydrophobicContact CG-CD1 3.45Å; E88-L92 VanDerWaalsContact CG-CD1 3.45Å; E88-L92 HydrophobicContact CG-CG 4.08Å; E88-L92 WeakPolarHBondContact O-CB 3.3Å; E88-L92 WeakPolarHBondContact O-CG 3.14Å; E88-L92 PolarHBondContact O-N 3.36Å
89	I	83.2	Confident	80.4	Confident	9 Å²	9	57.8 Å²	57.8	5%	0.046	31%	0.311	C	S	.	.	H	α-helix	trans	-57.3	-45.9	175.5	-72.8	168.5	0	0	0	111.3	L47 L78 L81 V85 L86 G93 T94 L98	L47-I89 HydrophobicContact CD1-CD1 4.15Å; L78-I89 HydrophobicContact CD2-CD1 3.8Å; L78-I89 HydrophobicContact CD2-CG2 4.03Å; L81-I89 HydrophobicContact CD1-CD1 3.68Å; V85-I89 HydrophobicContact CG1-CD1 4.01Å; V85-I89 WeakPolarHBondContact O-CG1 3.46Å; V85-I89 PolarHBondContact O-N 2.83Å; L86-I89 PolarHBondContact O-N 3.42Å; I89-G93 PolarHBondContact O-N 3.4Å; I89-T94 HydrophobicContact CB-CG2 4.03Å; I89-T94 HydrophobicContact CG1-CG2 4.04Å; I89-T94 HydrophobicContact CG2-CG2 3.41Å; I89-T94 VanDerWaalsContact CG2-CG2 3.41Å; I89-L98 HydrophobicContact CD1-CD2 3.86Å; I89-L98 HydrophobicContact CG1-CD2 4.45Å
90	V	84.6	Confident	80.1	Confident	47 Å²	47	59.7 Å²	59.7	29%	0.285	32%	0.321	S	S	.	.	H	α-helix	trans	-66.8	-41	179.8	171.1	0	0	0	0	111.5	L86 K87 E88 A126 I130	L86-V90 VanDerWaalsContact O-CG2 3.29Å; L86-V90 WeakPolarHBondContact O-CG2 3.24Å; L86-V90 PolarHBondContact O-N 3.01Å; K87-V90 PolarHBondContact O-N 3.07Å; E88-V90 VanDerWaalsContact C-N 3.34Å; E88-V90 PolarHBondContact O-N 2.77Å; V90-A126 HydrophobicContact CG2-CB 3.72Å; V90-I130 HydrophobicContact CG2-CD1 4.2Å
91	C	81.7	Confident	79.8	Confident	109 Å²	109	60.3 Å²	60.3	74%	0.736	32%	0.321	S	S	*	.	H	α-helix	trans	-76.5	-44.5	-176.8	-73	0	0	0	0	113.8	K87 E88 G93	K87-C91 VanDerWaalsContact O-CB 3.31Å; K87-C91 WeakPolarHBondContact O-CB 3.46Å; K87-C91 PolarHBondContact O-N 3.19Å; K87-C91 PolarHBondContact O-SG 2.93Å; E88-C91 PolarHBondContact O-N 3.45Å; C91-G93 VanDerWaalsContact C-N 3.32Å
92	L	73.7	Confident	79.4	Confident	131 Å²	131	60.9 Å²	60.9	69%	0.686	32%	0.324	S	S	*	.	H	α-helix	trans	-78.3	-22.4	-175.6	-65.7	-179.3	0	0	0	112.4	E88	E88-L92 HydrophobicContact CG-CD1 3.45Å; E88-L92 VanDerWaalsContact CG-CD1 3.45Å; E88-L92 HydrophobicContact CG-CG 4.08Å; E88-L92 WeakPolarHBondContact O-CB 3.3Å; E88-L92 WeakPolarHBondContact O-CG 3.14Å; E88-L92 PolarHBondContact O-N 3.36Å
93	G	68	Low	78.5	Confident	22 Å²	22	59.1 Å²	59.1	23%	0.227	31%	0.311	C	S	.	.			trans	72.5	125.6	-166.4	0	0	0	0	0	110.4	I89 C91 D95	I89-G93 PolarHBondContact O-N 3.4Å; C91-G93 VanDerWaalsContact C-N 3.32Å; G93-D95 PolarHBondContact O-N 2.9Å
94	T	61.8	Low	77.1	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.012	33%	0.325	C	S	.	.			trans	-86.9	108.1	171.2	50.9	0	0	0	0	109.5	I89 F96 L98 R123	I89-T94 HydrophobicContact CB-CG2 4.03Å; I89-T94 HydrophobicContact CG1-CG2 4.04Å; I89-T94 HydrophobicContact CG2-CG2 3.41Å; I89-T94 VanDerWaalsContact CG2-CG2 3.41Å; T94-F96 VanDerWaalsContact C-N 3.31Å; T94-F96 HydrophobicContact CG2-CE1 3.97Å; T94-F96 HydrophobicContact CG2-CZ 3.96Å; T94-L98 HydrophobicContact CG2-CD2 4.2Å; T94-R123 PolarHBondContact O-NH2 3.45Å
95	D	64.2	Low	75.6	Confident	153 Å²	153	63 Å²	63	82%	0.818	34%	0.337	S	S	*	.			trans	-92.6	3.1	160.8	-74.4	-10.3	0	0	0	111.5	G93	G93-D95 PolarHBondContact O-N 2.9Å
96	F	62.3	Low	74.1	Confident	117 Å²	117	63.5 Å²	63.5	51%	0.513	34%	0.341	S	S	.	.	S	Bend	trans	-110.9	147.8	179.4	63.2	-88.2	0	0	0	112	T94 L98	T94-F96 VanDerWaalsContact C-N 3.31Å; T94-F96 HydrophobicContact CG2-CE1 3.97Å; T94-F96 HydrophobicContact CG2-CZ 3.96Å; F96-L98 HydrophobicContact CE2-CD2 3.9Å; F96-L98 HydrophobicContact CZ-CD2 4.49Å; F96-L98 PolarHBondContact O-N 3.48Å
97	S	68.3	Low	72.8	Confident	65 Å²	65	63.9 Å²	63.9	46%	0.455	34%	0.344	S	S	.	.			trans	-64.8	127.6	170.7	-163.7	0	0	0	0	109.4	V99	S97-V99 VanDerWaalsContact C-N 3.27Å; S97-V99 PolarHBondContact OG-O 3.13Å
98	L	81.3	Confident	71.8	Confident	6 Å²	6	59.9 Å²	59.9	3%	0.031	33%	0.328	C	S	.	.	S	Bend	trans	-71.3	-30.4	179	-66.4	171.2	0	0	0	111.6	L47 D74 A77 L78 I89 T94 F96	L47-L98 HydrophobicContact CD1-CD2 3.82Å; D74-L98 HydrophobicContact CB-CD1 4.39Å; A77-L98 HydrophobicContact CB-CB 4.48Å; L78-L98 HydrophobicContact CD1-CD1 3.8Å; L78-L98 HydrophobicContact CD2-CD1 3.45Å; L78-L98 VanDerWaalsContact CD2-CD1 3.45Å; L78-L98 HydrophobicContact CG-CD1 3.38Å; I89-L98 HydrophobicContact CD1-CD2 3.86Å; I89-L98 HydrophobicContact CG1-CD2 4.45Å; T94-L98 HydrophobicContact CG2-CD2 4.2Å; F96-L98 HydrophobicContact CE2-CD2 3.9Å; F96-L98 HydrophobicContact CZ-CD2 4.49Å; F96-L98 PolarHBondContact O-N 3.48Å
99	V	83.7	Confident	71.6	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.012	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	118.2	175	-176.8	0	0	0	0	108.5	Y44 C45 F52 Y73 A77 S97 R101	Y44-V99 CarbonylContact O-C 3.58Å; Y44-V99 WeakPolarHBondContact O-CA 3.37Å; C45-V99 HydrophobicContact CB-CG2 4.13Å; F52-V99 HydrophobicContact CD2-CG1 4.15Å; F52-V99 HydrophobicContact CD2-CG2 4.26Å; F52-V99 HydrophobicContact CE2-CG2 4.11Å; Y73-V99 HydrophobicContact CD2-CG1 4.06Å; A77-V99 HydrophobicContact CB-CG2 3.72Å; S97-V99 VanDerWaalsContact C-N 3.27Å; S97-V99 PolarHBondContact OG-O 3.13Å; V99-R101 PolarHBondContact O-N 3.15Å
100	D	85.7	Confident	71.5	Confident	45 Å²	45	59.9 Å²	59.9	24%	0.241	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	129.1	172.6	-67.3	-38.2	0	0	0	109.2	G43 Y44 R46 L102	G43-D100 CarbonylContact C-O 3.59Å; G43-D100 WeakPolarHBondContact CA-O 3.15Å; Y44-D100 PolarHBondContact N-O 3.44Å; Y44-D100 PolarHBondContact O-N 3.02Å; R46-D100 IonicContact CZ-OD1 3.82Å; R46-D100 IonicContact CZ-OD2 2.89Å; R46-D100 IonicContact NE-OD1 2.72Å; R46-D100 IonicContact NE-OD2 2.78Å; R46-D100 PolarHBondContact NE-OD2 3.23Å; R46-D100 IonicContact NH2-OD1 3.79Å; R46-D100 PolarHBondContact NH2-OD1 2.99Å; R46-D100 IonicContact NH2-OD2 2.77Å; R46-D100 PolarHBondContact NH2-OD2 3.3Å; D100-L102 PolarHBondContact O-N 3.05Å
101	R	85.2	Confident	71.5	Confident	43 Å²	43	60.6 Å²	60.6	16%	0.162	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129.5	173.1	-55.1	-63.3	-80.3	-166.2	-13.5	109.3	A41 A69 V99 S108 L109	A41-R101 VanDerWaalsContact CB-NH2 3.27Å; A69-R101 PolarHBondContact O-NH1 3.4Å; A69-R101 VanDerWaalsContact O-NH1 3.11Å; A69-R101 PolarHBondContact O-NH2 3.08Å; V99-R101 PolarHBondContact O-N 3.15Å; R101-S108 PolarHBondContact NH2-O 2.63Å; R101-L109 HydrophobicContact CG-CD2 3.98Å
102	L	79.6	Confident	71.7	Confident	21 Å²	21	61.4 Å²	61.4	11%	0.11	34%	0.335	C	S	.	.	S	Bend	trans	-76.6	-25.6	179.6	-67.7	179.9	0	0	0	112.4	R16 Y25 E42 Y51 F53 D100	R16-L102 PolarHBondContact NE-O 3.15Å; R16-L102 PolarHBondContact NH1-O 3.12Å; R16-L102 PolarHBondContact NH2-O 2.57Å; Y25-L102 HydrophobicContact CE1-CD1 4.12Å; Y25-L102 WeakPolarHBondContact OH-CB 3.37Å; E42-L102 HydrophobicContact CB-CB 4.37Å; E42-L102 HydrophobicContact CB-CD1 4.45Å; E42-L102 HydrophobicContact CG-CB 3.92Å; E42-L102 PolarHBondContact O-N 3.3Å; E42-L102 VanDerWaalsContact O-N 3.14Å; Y51-L102 HydrophobicContact CD1-CD1 4.03Å; Y51-L102 HydrophobicContact CE1-CD1 4.36Å; F53-L102 HydrophobicContact CE1-CD1 4.45Å; D100-L102 PolarHBondContact O-N 3.05Å
103	E	67.4	Low	72.5	Confident	24 Å²	24	61 Å²	61	11%	0.112	33%	0.328	C	S	.	.			trans	-131.2	136.6	178.6	-84.1	-80.2	144.1	0	0	109.9	C14 E42 S107	C14-E103 HydrophobicContact CB-CG 3.7Å; C14-E103 WeakPolarHBondContact CB-OE1 3.41Å; C14-E103 PolarHBondContact SG-OE1 3.23Å; E42-E103 HydrophobicContact CG-CB 4.21Å; E42-E103 HydrophobicContact CG-CG 4.48Å; E42-E103 WeakPolarHBondContact OE1-CB 3.33Å; E42-E103 WeakPolarHBondContact OE1-CG 3.32Å; E103-S107 VanDerWaalsContact O-CB 3.27Å; E103-S107 WeakPolarHBondContact O-CB 3.2Å; E103-S107 PolarHBondContact O-OG 2.67Å
104	T	56.2	Low	73.5	Confident	105 Å²	105	61.7 Å²	61.7	64%	0.644	33%	0.326	S	S	*	.			trans	-111.7	-16.3	-179	50.5	0	0	0	0	113.8
105	E	54.5	Low	74.8	Confident	182 Å²	182	66.3 Å²	66.3	85%	0.85	35%	0.346	S	S	*	.	S	Bend	trans	-79	-26.4	-170.9	-66	-165.8	175.1	0	0	113.7
106	S	56.3	Low	76	Confident	36 Å²	36	63.1 Å²	63.1	25%	0.252	34%	0.335	S	S	.	.	S	Bend	trans	-129.6	-8.7	178.6	65.9	0	0	0	0	115.2	V12 H40 S108	V12-S106 WeakPolarHBondContact CG1-OG 3.16Å; V12-S106 VanDerWaalsContact CG2-CB 3.46Å; H40-S106 PolarHBondContact CE1-OG 2.95Å; H40-S106 PolarHBondContact NE2-OG 3.46Å; S106-S108 PolarHBondContact O-N 2.96Å
107	S	58.9	Low	77.4	Confident	10 Å²	10	61.6 Å²	61.6	7%	0.07	33%	0.33	C	S	.	.	S	Bend	trans	-70.9	133.8	-176.6	74.8	0	0	0	0	110.2	E103 L109	E103-S107 VanDerWaalsContact O-CB 3.27Å; E103-S107 WeakPolarHBondContact O-CB 3.2Å; E103-S107 PolarHBondContact O-OG 2.67Å; S107-L109 PolarHBondContact O-N 3.42Å; S107-L109 VanDerWaalsContact O-N 3.13Å
108	S	66.4	Low	78.5	Confident	16 Å²	16	58.9 Å²	58.9	11%	0.112	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-60.9	119.1	171.6	-82.2	0	0	0	0	108.7	Q39 S70 R101 S106	Q39-S108 PolarHBondContact OE1-OG 3.17Å; S70-S108 WeakPolarHBondContact CA-O 3.16Å; S70-S108 VanDerWaalsContact CB-O 3.23Å; S70-S108 WeakPolarHBondContact CB-O 3.41Å; R101-S108 PolarHBondContact NH2-O 2.63Å; S106-S108 PolarHBondContact O-N 2.96Å
109	L	80.6	Confident	78.9	Confident	101 Å²	101	60.6 Å²	60.6	53%	0.529	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-102.9	151.9	173	-64	176.9	0	0	0	109.4	S70 R101 S107 P111	S70-L109 VanDerWaalsContact CB-C 3.45Å; R101-L109 HydrophobicContact CG-CD2 3.98Å; S107-L109 PolarHBondContact O-N 3.42Å; S107-L109 VanDerWaalsContact O-N 3.13Å; L109-P111 VanDerWaalsContact O-CD 3.29Å; L109-P111 WeakPolarHBondContact O-CD 3.49Å
110	V	80.8	Confident	79.3	Confident	20 Å²	20	64.7 Å²	64.7	12%	0.121	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-61.5	120.5	175.2	-177	0	0	0	0	108.1	S70 R71 L114 K115 H118	S70-V110 WeakPolarHBondContact O-CG2 3.27Å; R71-V110 HydrophobicContact CG-CG2 3.72Å; V110-L114 HydrophobicContact CG1-CB 4.06Å; V110-K115 HydrophobicContact CB-CG 4.46Å; V110-K115 HydrophobicContact CG1-CG 4.2Å; V110-H118 HydrophobicContact CG1-CB 4.08Å
111	P	85.7	Confident	79.6	Confident	62 Å²	62	63.3 Å²	63.3	40%	0.403	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-56.3	143.1	179.3	-25.3	34.3	0	0	0	111.1	L109 K113 L114 K115	L109-P111 VanDerWaalsContact O-CD 3.29Å; L109-P111 WeakPolarHBondContact O-CD 3.49Å; P111-K113 HydrophobicContact CB-CG 4.32Å; P111-K113 PolarHBondContact O-N 3.32Å; P111-K113 VanDerWaalsContact O-N 3.09Å; P111-L114 HydrophobicContact CG-CD1 4.36Å; P111-L114 WeakPolarHBondContact O-CA 3.29Å; P111-L114 PolarHBondContact O-N 3.21Å; P111-K115 PolarHBondContact O-N 2.84Å
112	D	86	Confident	79.9	Confident	127 Å²	127	61.6 Å²	61.6	68%	0.679	33%	0.327	S	S	*	.	H	α-helix	trans	-52	-40.5	-175.9	-73	-35	0	0	0	112.9	L114 K115	D112-L114 PolarHBondContact O-N 3.28Å; D112-K115 PolarHBondContact O-N 2.72Å; D112-K115 WeakPolarHBondContact OD1-CE 3.23Å; D112-K115 IonicContact OD1-NZ 3.68Å; D112-K115 PolarHBondContact OD1-NZ 3.25Å
113	K	89.5	Confident	80.5	Confident	122 Å²	122	63.9 Å²	63.9	53%	0.53	33%	0.334	S	S	.	.	H	α-helix	trans	-62.4	-22.7	178.1	72	174.2	-173.2	158.2	0	114.3	P111 D173	P111-K113 HydrophobicContact CB-CG 4.32Å; P111-K113 PolarHBondContact O-N 3.32Å; P111-K113 VanDerWaalsContact O-N 3.09Å; K113-D173 IonicContact NZ-OD2 2.68Å; K113-D173 PolarHBondContact NZ-OD2 3.35Å
114	L	89.4	Confident	81.6	Confident	36 Å²	36	65.5 Å²	65.5	19%	0.188	35%	0.349	C	S	.	.	H	α-helix	trans	-103.1	-7.9	-178.5	-64	-177.1	0	0	0	113.1	V110 P111 D112 S116 Q117 H118	V110-L114 HydrophobicContact CG1-CB 4.06Å; P111-L114 HydrophobicContact CG-CD1 4.36Å; P111-L114 WeakPolarHBondContact O-CA 3.29Å; P111-L114 PolarHBondContact O-N 3.21Å; D112-L114 PolarHBondContact O-N 3.28Å; L114-S116 PolarHBondContact O-N 3.48Å; L114-Q117 PolarHBondContact O-N 3.44Å; L114-H118 WeakPolarHBondContact O-CB 3.39Å; L114-H118 PolarHBondContact O-N 3.49Å
115	K	88.3	Confident	83.4	Confident	100 Å²	100	61.2 Å²	61.2	44%	0.435	32%	0.321	S	S	.	.	H	α-helix	trans	-56.6	-49.1	-175.4	-77	-179.1	175.4	169.7	0	112.8	V110 P111 D112 Q117 H118 I119	V110-K115 HydrophobicContact CB-CG 4.46Å; V110-K115 HydrophobicContact CG1-CG 4.2Å; P111-K115 PolarHBondContact O-N 2.84Å; D112-K115 PolarHBondContact O-N 2.72Å; D112-K115 WeakPolarHBondContact OD1-CE 3.23Å; D112-K115 IonicContact OD1-NZ 3.68Å; D112-K115 PolarHBondContact OD1-NZ 3.25Å; K115-Q117 VanDerWaalsContact C-N 3.33Å; K115-Q117 PolarHBondContact O-N 3.48Å; K115-H118 PolarHBondContact O-N 3.35Å; K115-I119 VanDerWaalsContact O-CG1 3.27Å; K115-I119 WeakPolarHBondContact O-CG1 3.43Å; K115-I119 PolarHBondContact O-N 2.92Å
116	S	89.7	Confident	85.1	Confident	85 Å²	85	52.6 Å²	52.6	59%	0.594	28%	0.281	S	S	*	.	H	α-helix	trans	-63.6	-39.8	179.5	-56.2	0	0	0	0	112.2	L114 I119 N120	L114-S116 PolarHBondContact O-N 3.48Å; S116-I119 PolarHBondContact O-N 2.81Å; S116-N120 VanDerWaalsContact O-CG 3.27Å; S116-N120 PolarHBondContact O-N 2.91Å; S116-N120 PolarHBondContact O-ND2 3.2Å
117	Q	91.1	Very high	86.7	Confident	85 Å²	85	52.6 Å²	52.6	40%	0.397	28%	0.281	S	S	.	.	H	α-helix	trans	-64.9	-47.6	177	-174.1	63.6	23.4	0	0	111	L114 K115 I119 N120 N121 E161	L114-Q117 PolarHBondContact O-N 3.44Å; K115-Q117 VanDerWaalsContact C-N 3.33Å; K115-Q117 PolarHBondContact O-N 3.48Å; Q117-I119 PolarHBondContact O-N 2.94Å; Q117-N120 WeakPolarHBondContact O-CB 3.34Å; Q117-N120 PolarHBondContact O-N 3.4Å; Q117-N120 VanDerWaalsContact O-N 3.14Å; Q117-N121 PolarHBondContact NE2-OD1 3Å; Q117-N121 PolarHBondContact O-N 2.74Å; Q117-N121 PolarHBondContact O-ND2 3.46Å; Q117-N121 PolarHBondContact O-OD1 2.61Å; Q117-E161 HydrophobicContact CG-CG 4.12Å
118	H	92.1	Very high	88.2	Confident	9 Å²	9	55.6 Å²	55.6	4%	0.042	30%	0.296	C	S	.	.	H	α-helix	trans	-58.2	-45.6	176.4	179.3	61.4	0	0	0	111.8	R71 D74 Y75 V110 L114 K115 N120 N121 I122	R71-H118 PolarHBondContact NE-ND1 2.96Å; R71-H118 VanDerWaalsContact NE-ND1 3.12Å; D74-H118 IonicContact OD2-CD2 2.76Å; D74-H118 IonicContact OD2-CE1 2.76Å; D74-H118 IonicContact OD2-NE2 3.85Å; D74-H118 PolarHBondContact OD2-NE2 3.02Å; Y75-H118 AromaticContact CE2-CE1 3.87Å; V110-H118 HydrophobicContact CG1-CB 4.08Å; L114-H118 WeakPolarHBondContact O-CB 3.39Å; L114-H118 PolarHBondContact O-N 3.49Å; K115-H118 PolarHBondContact O-N 3.35Å; H118-N120 VanDerWaalsContact C-N 3.32Å; H118-N120 PolarHBondContact O-N 3.49Å; H118-N121 PolarHBondContact O-N 3.03Å; H118-I122 WeakPolarHBondContact O-CG1 3.36Å; H118-I122 WeakPolarHBondContact O-CG2 3.25Å; H118-I122 PolarHBondContact O-N 3.28Å
119	I	89.5	Confident	89.1	Confident	42 Å²	42	55.2 Å²	55.2	22%	0.215	29%	0.294	C	S	.	.	H	α-helix	trans	-57.5	-44.1	175.1	-71.2	167.1	0	0	0	111.3	K115 S116 Q117 I122 R123	K115-I119 VanDerWaalsContact O-CG1 3.27Å; K115-I119 WeakPolarHBondContact O-CG1 3.43Å; K115-I119 PolarHBondContact O-N 2.92Å; S116-I119 PolarHBondContact O-N 2.81Å; Q117-I119 PolarHBondContact O-N 2.94Å; I119-I122 WeakPolarHBondContact O-CG1 3.43Å; I119-R123 VanDerWaalsContact CG2-CZ 3.43Å; I119-R123 WeakPolarHBondContact O-CB 3.44Å; I119-R123 VanDerWaalsContact O-CG 3.26Å; I119-R123 WeakPolarHBondContact O-CG 3.28Å; I119-R123 PolarHBondContact O-N 3.47Å; I119-R123 VanDerWaalsContact O-N 3.08Å
120	N	91.4	Very high	89.3	Confident	87 Å²	87	51.6 Å²	51.6	47%	0.465	27%	0.274	S	S	.	.	H	α-helix	trans	-65	-41.3	178.1	-71.2	-25.9	0	0	0	112	S116 Q117 H118 R123 S124	S116-N120 VanDerWaalsContact O-CG 3.27Å; S116-N120 PolarHBondContact O-N 2.91Å; S116-N120 PolarHBondContact O-ND2 3.2Å; Q117-N120 WeakPolarHBondContact O-CB 3.34Å; Q117-N120 PolarHBondContact O-N 3.4Å; Q117-N120 VanDerWaalsContact O-N 3.14Å; H118-N120 VanDerWaalsContact C-N 3.32Å; H118-N120 PolarHBondContact O-N 3.49Å; N120-R123 PolarHBondContact O-N 3.04Å; N120-S124 PolarHBondContact O-N 3.32Å
121	N	93.9	Very high	89.4	Confident	16 Å²	16	56.9 Å²	56.9	9%	0.086	30%	0.298	C	S	.	.	H	α-helix	trans	-63.8	-48.4	178.5	-66.6	-16.5	0	0	0	111.8	R71 Y75 Q117 H118 R123 S124 F125 D157 E161	R71-N121 PolarHBondContact NH2-ND2 3.45Å; Y75-N121 VanDerWaalsContact OH-CB 3.31Å; Y75-N121 WeakPolarHBondContact OH-CB 3.5Å; Q117-N121 PolarHBondContact NE2-OD1 3Å; Q117-N121 PolarHBondContact O-N 2.74Å; Q117-N121 PolarHBondContact O-ND2 3.46Å; Q117-N121 PolarHBondContact O-OD1 2.61Å; H118-N121 PolarHBondContact O-N 3.03Å; N121-R123 VanDerWaalsContact C-N 3.29Å; N121-R123 PolarHBondContact O-N 3.07Å; N121-S124 WeakPolarHBondContact O-CB 3.17Å; N121-S124 PolarHBondContact O-N 3.29Å; N121-S124 VanDerWaalsContact O-N 3.11Å; N121-F125 WeakPolarHBondContact O-CB 3.11Å; N121-F125 PolarHBondContact O-N 3Å; N121-D157 HydrophobicContact CB-CB 4.41Å; N121-D157 WeakPolarHBondContact CB-OD2 2.9Å; N121-E161 PolarHBondContact ND2-OE1 3.33Å
122	I	91.7	Very high	89	Confident	7 Å²	7	59.9 Å²	59.9	4%	0.036	31%	0.305	C	S	.	.	H	α-helix	trans	-64.9	-33.2	178.9	66.5	176.8	0	0	0	111.9	D74 Y75 L78 H118 I119 F125 A126	D74-I122 HydrophobicContact CB-CG2 4.1Å; Y75-I122 HydrophobicContact CD2-CG2 4.04Å; Y75-I122 HydrophobicContact CE2-CG2 3.68Å; L78-I122 HydrophobicContact CD1-CB 3.66Å; L78-I122 HydrophobicContact CD1-CG1 4.46Å; L78-I122 HydrophobicContact CD1-CG2 4.44Å; L78-I122 WeakPolarHBondContact CD1-O 3.38Å; H118-I122 WeakPolarHBondContact O-CG1 3.36Å; H118-I122 WeakPolarHBondContact O-CG2 3.25Å; H118-I122 PolarHBondContact O-N 3.28Å; I119-I122 WeakPolarHBondContact O-CG1 3.43Å; I122-F125 PolarHBondContact O-N 3.24Å; I122-A126 WeakPolarHBondContact O-CB 3.45Å; I122-A126 PolarHBondContact O-N 3.48Å
123	R	90.2	Very high	88.4	Confident	69 Å²	69	56.1 Å²	56.1	26%	0.26	28%	0.284	S	S	.	.	H	α-helix	trans	-66.1	-41.5	172.1	-75	175.8	-172.6	173.3	3.3	111.9	T94 I119 N120 N121 A126 S127	T94-R123 PolarHBondContact O-NH2 3.45Å; I119-R123 VanDerWaalsContact CG2-CZ 3.43Å; I119-R123 WeakPolarHBondContact O-CB 3.44Å; I119-R123 VanDerWaalsContact O-CG 3.26Å; I119-R123 WeakPolarHBondContact O-CG 3.28Å; I119-R123 PolarHBondContact O-N 3.47Å; I119-R123 VanDerWaalsContact O-N 3.08Å; N120-R123 PolarHBondContact O-N 3.04Å; N121-R123 VanDerWaalsContact C-N 3.29Å; N121-R123 PolarHBondContact O-N 3.07Å; R123-A126 PolarHBondContact O-N 3.14Å; R123-S127 WeakPolarHBondContact O-CB 3.23Å; R123-S127 PolarHBondContact O-N 2.91Å; R123-S127 PolarHBondContact O-OG 3.17Å
124	S	92.4	Very high	87.5	Confident	59 Å²	59	53.8 Å²	53.8	41%	0.413	29%	0.288	S	S	.	.	H	α-helix	trans	-62.4	-46.2	174.2	-170.4	0	0	0	0	110.9	N120 N121 A126 S127 N128	N120-S124 PolarHBondContact O-N 3.32Å; N121-S124 WeakPolarHBondContact O-CB 3.17Å; N121-S124 PolarHBondContact O-N 3.29Å; N121-S124 VanDerWaalsContact O-N 3.11Å; S124-A126 PolarHBondContact O-N 2.8Å; S124-S127 PolarHBondContact O-N 2.86Å; S124-N128 WeakPolarHBondContact O-CB 3.29Å; S124-N128 PolarHBondContact O-N 2.89Å; S124-N128 PolarHBondContact O-ND2 2.98Å
125	F	92.9	Very high	86.4	Confident	15 Å²	15	56 Å²	56	7%	0.066	31%	0.311	C	S	.	.	H	α-helix	trans	-59.3	-44.9	176	177.6	-108.9	0	0	0	112.7	Y75 L78 N121 I122 N128 S129 A150 A153	Y75-F125 HydrophobicContact CD1-CB 4.25Å; Y75-F125 AromaticContact CD1-CD1 3.92Å; Y75-F125 HydrophobicContact CD1-CD1 3.92Å; Y75-F125 HydrophobicContact CD1-CD2 4.13Å; Y75-F125 HydrophobicContact CD1-CE1 4.3Å; Y75-F125 HydrophobicContact CD1-CE2 4.48Å; Y75-F125 AromaticContact CD1-CG 3.82Å; Y75-F125 HydrophobicContact CD1-CG 3.82Å; Y75-F125 HydrophobicContact CE1-CB 4.1Å; Y75-F125 HydrophobicContact CE1-CD2 4.47Å; Y75-F125 HydrophobicContact CE1-CG 4.15Å; Y75-F125 WeakPolarHBondContact O-CE1 3.37Å; L78-F125 HydrophobicContact CB-CD1 4.01Å; L78-F125 HydrophobicContact CB-CE1 3.98Å; L78-F125 HydrophobicContact CD1-CD1 4.23Å; N121-F125 WeakPolarHBondContact O-CB 3.11Å; N121-F125 PolarHBondContact O-N 3Å; I122-F125 PolarHBondContact O-N 3.24Å; F125-N128 PolarHBondContact O-N 2.8Å; F125-S129 WeakPolarHBondContact O-CB 3.17Å; F125-S129 PolarHBondContact O-N 3.42Å; F125-S129 PolarHBondContact O-OG 3.15Å; F125-A150 HydrophobicContact CZ-CB 4.34Å; F125-A153 HydrophobicContact CD2-CB 3.34Å; F125-A153 HydrophobicContact CE2-CB 3.43Å; F125-A153 VanDerWaalsContact CE2-CB 3.43Å; F125-A153 HydrophobicContact CG-CB 4.34Å; F125-A153 HydrophobicContact CZ-CB 4.48Å
126	A	90.6	Very high	85.2	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.5	-45.7	175.4	0	0	0	0	0	111.5	L78 L86 V90 I122 R123 S124 N128 S129 I130	L78-A126 HydrophobicContact CD1-CB 4.36Å; L78-A126 HydrophobicContact CD2-CB 4.28Å; L86-A126 HydrophobicContact CD2-CB 4.2Å; V90-A126 HydrophobicContact CG2-CB 3.72Å; I122-A126 WeakPolarHBondContact O-CB 3.45Å; I122-A126 PolarHBondContact O-N 3.48Å; R123-A126 PolarHBondContact O-N 3.14Å; S124-A126 PolarHBondContact O-N 2.8Å; A126-N128 PolarHBondContact O-N 3Å; A126-S129 WeakPolarHBondContact O-CB 3.47Å; A126-S129 PolarHBondContact O-N 3.18Å; A126-I130 WeakPolarHBondContact O-CG1 3.21Å; A126-I130 PolarHBondContact O-N 3.01Å
127	S	90.4	Very high	83.3	Confident	37 Å²	37	58.2 Å²	58.2	26%	0.259	33%	0.33	S	S	.	.	H	α-helix	trans	-61.1	-45.3	177.8	-59.4	0	0	0	0	112.1	R123 S124 S129 I130 Q131	R123-S127 WeakPolarHBondContact O-CB 3.23Å; R123-S127 PolarHBondContact O-N 2.91Å; R123-S127 PolarHBondContact O-OG 3.17Å; S124-S127 PolarHBondContact O-N 2.86Å; S127-S129 VanDerWaalsContact C-N 3.31Å; S127-S129 PolarHBondContact O-N 3.46Å; S127-I130 PolarHBondContact O-N 2.99Å; S127-Q131 WeakPolarHBondContact O-CG 3.47Å; S127-Q131 PolarHBondContact O-N 3.09Å
128	N	89.1	Confident	80.9	Confident	73 Å²	73	64 Å²	64	39%	0.39	35%	0.349	S	S	.	.	H	α-helix	trans	-64.3	-36.3	176.3	-69.9	-23.9	0	0	0	111.8	S124 F125 A126 Q131 K132	S124-N128 WeakPolarHBondContact O-CB 3.29Å; S124-N128 PolarHBondContact O-N 2.89Å; S124-N128 PolarHBondContact O-ND2 2.98Å; F125-N128 PolarHBondContact O-N 2.8Å; A126-N128 PolarHBondContact O-N 3Å; N128-Q131 PolarHBondContact O-N 2.87Å; N128-K132 WeakPolarHBondContact O-CB 3.4Å; N128-K132 WeakPolarHBondContact O-CG 3.34Å; N128-K132 PolarHBondContact O-N 2.97Å
129	S	85.8	Confident	79	Confident	8 Å²	8	73.6 Å²	73.6	6%	0.056	39%	0.385	C	S	.	.	H	α-helix	trans	-65.3	-41.6	176.2	-62.3	0	0	0	0	111.6	F125 A126 S127 N133	F125-S129 WeakPolarHBondContact O-CB 3.17Å; F125-S129 PolarHBondContact O-N 3.42Å; F125-S129 PolarHBondContact O-OG 3.15Å; A126-S129 WeakPolarHBondContact O-CB 3.47Å; A126-S129 PolarHBondContact O-N 3.18Å; S127-S129 VanDerWaalsContact C-N 3.31Å; S127-S129 PolarHBondContact O-N 3.46Å; S129-N133 WeakPolarHBondContact O-CB 3.37Å; S129-N133 PolarHBondContact O-N 3.46Å; S129-N133 PolarHBondContact O-ND2 2.97Å
130	I	84.7	Confident	77.1	Confident	25 Å²	25	77.7 Å²	77.7	13%	0.128	42%	0.416	C	S	.	.	H	α-helix	trans	-60.9	-48.1	173.7	-64.5	161.5	0	0	0	110.6	E83 L86 K87 V90 A126 S127 K132 N133 A134	E83-I130 HydrophobicContact CG-CG1 4.32Å; E83-I130 HydrophobicContact CG-CG2 4.16Å; L86-I130 HydrophobicContact CB-CD1 3.87Å; L86-I130 HydrophobicContact CB-CG1 3.84Å; L86-I130 HydrophobicContact CD1-CG1 4.31Å; K87-I130 HydrophobicContact CG-CD1 3.87Å; V90-I130 HydrophobicContact CG2-CD1 4.2Å; A126-I130 WeakPolarHBondContact O-CG1 3.21Å; A126-I130 PolarHBondContact O-N 3.01Å; S127-I130 PolarHBondContact O-N 2.99Å; I130-K132 PolarHBondContact O-N 3.46Å; I130-N133 PolarHBondContact O-N 2.92Å; I130-A134 PolarHBondContact O-N 2.88Å
131	Q	83.7	Confident	75.7	Confident	131 Å²	131	74.8 Å²	74.8	61%	0.612	40%	0.403	S	S	*	.	H	α-helix	trans	-63.3	-43.2	-179.2	-70.4	178.1	6.2	0	0	112.6	S127 N128 A134 A135	S127-Q131 WeakPolarHBondContact O-CG 3.47Å; S127-Q131 PolarHBondContact O-N 3.09Å; N128-Q131 PolarHBondContact O-N 2.87Å; Q131-A134 PolarHBondContact O-N 2.72Å; Q131-A135 PolarHBondContact O-N 2.76Å
132	K	77.4	Confident	75.3	Confident	125 Å²	125	77.8 Å²	77.8	54%	0.543	42%	0.418	S	S	.	.	H	α-helix	trans	-63.8	-40.6	176.7	-76.4	-178.1	178.7	-179.9	0	111.9	N128 I130 A134 A135 L136	N128-K132 WeakPolarHBondContact O-CB 3.4Å; N128-K132 WeakPolarHBondContact O-CG 3.34Å; N128-K132 PolarHBondContact O-N 2.97Å; I130-K132 PolarHBondContact O-N 3.46Å; K132-A134 VanDerWaalsContact C-N 3.31Å; K132-A134 PolarHBondContact O-N 3.16Å; K132-A135 PolarHBondContact O-N 2.85Å; K132-L136 WeakPolarHBondContact O-CB 3.45Å; K132-L136 PolarHBondContact O-N 3.3Å
133	N	72	Confident	75.4	Confident	47 Å²	47	78.8 Å²	78.8	25%	0.251	43%	0.425	S	S	.	.	H	α-helix	trans	-64.4	-36.1	176.2	-70.8	-12.1	0	0	0	112	S129 I130	S129-N133 WeakPolarHBondContact O-CB 3.37Å; S129-N133 PolarHBondContact O-N 3.46Å; S129-N133 PolarHBondContact O-ND2 2.97Å; I130-N133 PolarHBondContact O-N 2.92Å
134	A	71.6	Confident	75.6	Confident	73 Å²	73	80.9 Å²	80.9	60%	0.603	43%	0.433	S	S	*	.	H	α-helix	trans	-68.9	-36.5	174.9	0	0	0	0	0	112.9	I130 Q131 K132	I130-A134 PolarHBondContact O-N 2.88Å; Q131-A134 PolarHBondContact O-N 2.72Å; K132-A134 VanDerWaalsContact C-N 3.31Å; K132-A134 PolarHBondContact O-N 3.16Å
135	A	66.1	Low	75.7	Confident	82 Å²	82	81.4 Å²	81.4	68%	0.678	43%	0.431	S	S	*	.	H	α-helix	trans	-74.1	-35	179.5	0	0	0	0	0	113	Q131 K132 S137	Q131-A135 PolarHBondContact O-N 2.76Å; K132-A135 PolarHBondContact O-N 2.85Å; A135-S137 PolarHBondContact O-N 2.9Å
136	L	62	Low	75.7	Confident	118 Å²	118	80.7 Å²	80.7	62%	0.618	43%	0.428	S	S	*	.	S	Bend	trans	-87.9	79.7	176.3	-67.7	162.4	0	0	0	108.6	K132 Y138	K132-L136 WeakPolarHBondContact O-CB 3.45Å; K132-L136 PolarHBondContact O-N 3.3Å; L136-Y138 PolarHBondContact O-N 2.84Å
137	S	49.7	Very low	76	Confident	115 Å²	115	80.7 Å²	80.7	80%	0.804	43%	0.428	S	S	*	.	S	Bend	trans	-52.7	3.2	-177.1	58.3	0	0	0	0	116.9	A135	A135-S137 PolarHBondContact O-N 2.9Å
138	Y	42.4	Very low	76.3	Confident	205 Å²	205	82 Å²	82	80%	0.804	43%	0.429	S	S	*	.	S	Bend	trans	-161.6	99.5	173.7	-148.7	-96.8	0	0	0	109.8	L136	L136-Y138 PolarHBondContact O-N 2.84Å
139	R	51.8	Low	76.6	Confident	212 Å²	212	81.3 Å²	81.3	80%	0.8	42%	0.421	S	S	*	.			trans	164.8	116.1	144.2	-90.7	161.6	-159.6	-151.5	6.3	109.8	S141	R139-S141 PolarHBondContact O-N 2.93Å
140	C	49.3	Very low	77.2	Confident	127 Å²	127	80.9 Å²	80.9	86%	0.858	42%	0.418	S	S	*	.			trans	-50.1	113.7	153.5	-179.2	0	0	0	0	106.7	N142	C140-N142 PolarHBondContact O-N 2.71Å
141	S	61.7	Low	77.8	Confident	27 Å²	27	79.7 Å²	79.7	19%	0.189	41%	0.412	C	S	.	.			trans	-60.9	115.9	177.7	64	0	0	0	0	107.3	R139 R149	R139-S141 PolarHBondContact O-N 2.93Å; S141-R149 PolarHBondContact OG-NH2 3.22Å
142	N	86	Confident	78.5	Confident	78 Å²	78	76.6 Å²	76.6	42%	0.417	40%	0.399	S	S	.	.			trans	-60.8	157.3	174.7	66.2	63	0	0	0	108.6	C140 R144 D145 A146	C140-N142 PolarHBondContact O-N 2.71Å; N142-R144 PolarHBondContact O-N 2.89Å; N142-R144 VanDerWaalsContact O-N 3.07Å; N142-R144 WeakPolarHBondContact OD1-CA 3.43Å; N142-R144 VanDerWaalsContact OD1-CB 3.25Å; N142-R144 WeakPolarHBondContact OD1-CB 3.23Å; N142-R144 PolarHBondContact OD1-N 3.11Å; N142-D145 PolarHBondContact ND2-OD2 3.46Å; N142-D145 PolarHBondContact O-N 2.93Å; N142-D145 VanDerWaalsContact O-N 3.12Å; N142-D145 PolarHBondContact OD1-N 3.09Å; N142-A146 PolarHBondContact O-N 3.31Å
143	V	93	Very high	79.5	Confident	29 Å²	29	71.3 Å²	71.3	18%	0.176	38%	0.379	C	S	.	.	H	α-helix	trans	-53.9	-32.5	-176.8	174.8	0	0	0	0	112.2	I80 A146 F147 Y188 Y195	I80-V143 HydrophobicContact CG2-CG1 4.31Å; I80-V143 HydrophobicContact CG2-CG2 4.26Å; V143-A146 PolarHBondContact O-N 3.12Å; V143-F147 HydrophobicContact CG1-CD1 4.16Å; V143-F147 HydrophobicContact CG1-CD2 4.03Å; V143-F147 HydrophobicContact CG1-CE1 3.9Å; V143-F147 HydrophobicContact CG1-CE2 3.75Å; V143-F147 HydrophobicContact CG1-CG 4.24Å; V143-F147 HydrophobicContact CG1-CZ 3.68Å; V143-F147 WeakPolarHBondContact O-CB 3.36Å; V143-F147 WeakPolarHBondContact O-CG 3.43Å; V143-F147 PolarHBondContact O-N 3.13Å; V143-Y188 HydrophobicContact CG1-CD1 4.36Å; V143-Y195 HydrophobicContact CB-CD1 4.08Å; V143-Y195 HydrophobicContact CB-CE1 3.66Å; V143-Y195 HydrophobicContact CB-CE2 4.2Å; V143-Y195 HydrophobicContact CG1-CD1 3.74Å; V143-Y195 HydrophobicContact CG1-CD2 4.02Å; V143-Y195 HydrophobicContact CG1-CE1 3.84Å; V143-Y195 HydrophobicContact CG1-CE2 4.11Å; V143-Y195 HydrophobicContact CG1-CG 3.83Å; V143-Y195 HydrophobicContact CG2-CE1 4.45Å; V143-Y195 HydrophobicContact CG2-CE2 4.24Å
144	R	95.4	Very high	80.7	Confident	113 Å²	113	69.1 Å²	69.1	43%	0.426	37%	0.367	S	S	.	.	H	α-helix	trans	-64.8	-50.5	178.9	-57.3	-179.9	174.7	168.5	-6	111.7	N142 A146 F147 K148 Y195 V306	N142-R144 PolarHBondContact O-N 2.89Å; N142-R144 VanDerWaalsContact O-N 3.07Å; N142-R144 WeakPolarHBondContact OD1-CA 3.43Å; N142-R144 VanDerWaalsContact OD1-CB 3.25Å; N142-R144 WeakPolarHBondContact OD1-CB 3.23Å; N142-R144 PolarHBondContact OD1-N 3.11Å; R144-A146 VanDerWaalsContact C-N 3.3Å; R144-A146 PolarHBondContact O-N 3.05Å; R144-F147 PolarHBondContact O-N 3.35Å; R144-K148 WeakPolarHBondContact O-CG 3.47Å; R144-K148 PolarHBondContact O-N 3.48Å; R144-K148 VanDerWaalsContact O-N 3.07Å; R144-Y195 HydrophobicContact CG-CD1 4.37Å; R144-Y195 HydrophobicContact CG-CE1 4.22Å; R144-V306 HydrophobicContact CB-CB 3.95Å; R144-V306 HydrophobicContact CB-CG1 4.14Å; R144-V306 WeakPolarHBondContact CD-O 3.45Å; R144-V306 HydrophobicContact CG-CB 4.07Å; R144-V306 HydrophobicContact CG-CG1 3.95Å; R144-V306 PolarHBondContact NE-O 2.79Å
145	D	93.3	Very high	82	Confident	70 Å²	70	66 Å²	66	37%	0.374	34%	0.34	S	S	.	.	H	α-helix	trans	-66.7	-36.4	178.8	-62.5	-32.3	0	0	0	111.2	N142 K148 R149	N142-D145 PolarHBondContact ND2-OD2 3.46Å; N142-D145 PolarHBondContact O-N 2.93Å; N142-D145 VanDerWaalsContact O-N 3.12Å; N142-D145 PolarHBondContact OD1-N 3.09Å; D145-K148 PolarHBondContact O-N 3.02Å; D145-R149 WeakPolarHBondContact O-CG 3.21Å; D145-R149 PolarHBondContact O-N 2.94Å; D145-R149 VanDerWaalsContact O-N 3.13Å; D145-R149 PolarHBondContact O-NH1 3.5Å
146	A	93.8	Very high	83.6	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-59.5	-49.3	175.6	0	0	0	0	0	111.9	S79 I80 N142 V143 R144 K148 R149 A150	S79-A146 WeakPolarHBondContact CB-O 3.5Å; S79-A146 VanDerWaalsContact O-CB 3.31Å; S79-A146 WeakPolarHBondContact O-CB 3.47Å; S79-A146 PolarHBondContact OG-O 2.99Å; I80-A146 HydrophobicContact CG2-CB 3.81Å; N142-A146 PolarHBondContact O-N 3.31Å; V143-A146 PolarHBondContact O-N 3.12Å; R144-A146 VanDerWaalsContact C-N 3.3Å; R144-A146 PolarHBondContact O-N 3.05Å; A146-K148 PolarHBondContact O-N 3.14Å; A146-R149 PolarHBondContact O-N 3.03Å; A146-A150 PolarHBondContact O-N 2.95Å
147	F	97	Very high	85.3	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-66.5	-37.4	179.6	-74.4	5.1	0	0	0	112.5	F52 L76 I80 V143 R144 R149 A150 F151 Y188 A197 V306	F52-F147 HydrophobicContact CE1-CE1 4.49Å; F52-F147 AromaticContact CE1-CZ 3.96Å; F52-F147 HydrophobicContact CE1-CZ 3.96Å; L76-F147 HydrophobicContact CB-CD1 4.37Å; L76-F147 HydrophobicContact CB-CE1 4.07Å; L76-F147 HydrophobicContact CD2-CB 3.85Å; L76-F147 HydrophobicContact CD2-CD1 3.4Å; L76-F147 HydrophobicContact CD2-CD2 4.11Å; L76-F147 HydrophobicContact CD2-CE1 3.86Å; L76-F147 HydrophobicContact CD2-CG 3.53Å; L76-F147 HydrophobicContact CD2-CZ 4.39Å; L76-F147 HydrophobicContact CG-CD1 4.47Å; I80-F147 HydrophobicContact CG2-CD1 4.04Å; I80-F147 HydrophobicContact CG2-CE1 3.59Å; V143-F147 HydrophobicContact CG1-CD1 4.16Å; V143-F147 HydrophobicContact CG1-CD2 4.03Å; V143-F147 HydrophobicContact CG1-CE1 3.9Å; V143-F147 HydrophobicContact CG1-CE2 3.75Å; V143-F147 HydrophobicContact CG1-CG 4.24Å; V143-F147 HydrophobicContact CG1-CZ 3.68Å; V143-F147 WeakPolarHBondContact O-CB 3.36Å; V143-F147 WeakPolarHBondContact O-CG 3.43Å; V143-F147 PolarHBondContact O-N 3.13Å; R144-F147 PolarHBondContact O-N 3.35Å; F147-R149 VanDerWaalsContact C-N 3.33Å; F147-R149 PolarHBondContact O-N 2.91Å; F147-A150 WeakPolarHBondContact O-CB 3.31Å; F147-A150 PolarHBondContact O-N 3.5Å; F147-F151 VanDerWaalsContact O-CD2 3.27Å; F147-F151 WeakPolarHBondContact O-CD2 3.34Å; F147-F151 PolarHBondContact O-N 3.3Å; F147-Y188 HydrophobicContact CE2-CD1 4.17Å; F147-Y188 AromaticContact CE2-CG 3.93Å; F147-Y188 HydrophobicContact CE2-CG 3.93Å; F147-Y188 AromaticContact CZ-CD1 3.81Å; F147-Y188 HydrophobicContact CZ-CD1 3.81Å; F147-Y188 HydrophobicContact CZ-CD2 4Å; F147-Y188 HydrophobicContact CZ-CE1 4.43Å; F147-Y188 AromaticContact CZ-CG 3.58Å; F147-Y188 HydrophobicContact CZ-CG 3.58Å; F147-A197 HydrophobicContact CD2-CB 4.15Å; F147-V306 HydrophobicContact CB-CG1 4.48Å; F147-V306 HydrophobicContact CB-CG2 4.03Å; F147-V306 HydrophobicContact CD2-CG1 4.1Å
148	K	97.1	Very high	87.6	Confident	63 Å²	63	56.7 Å²	56.7	27%	0.274	27%	0.267	S	S	.	.	H	α-helix	trans	-57	-46.7	172	-73.4	175.6	166.7	-146	0	112.3	R144 D145 A146 A150 F151 L152 E303 P304 V306	R144-K148 WeakPolarHBondContact O-CG 3.47Å; R144-K148 PolarHBondContact O-N 3.48Å; R144-K148 VanDerWaalsContact O-N 3.07Å; D145-K148 PolarHBondContact O-N 3.02Å; A146-K148 PolarHBondContact O-N 3.14Å; K148-A150 PolarHBondContact O-N 3.05Å; K148-F151 PolarHBondContact O-N 3.39Å; K148-L152 WeakPolarHBondContact O-CG 3.37Å; K148-L152 PolarHBondContact O-N 2.79Å; K148-L152 VanDerWaalsContact O-N 3.13Å; K148-E303 HydrophobicContact CB-CG 4.26Å; K148-E303 HydrophobicContact CD-CG 4.29Å; K148-E303 VanDerWaalsContact CD-OE1 3.31Å; K148-E303 WeakPolarHBondContact CD-OE1 3.44Å; K148-E303 VanDerWaalsContact CE-OE1 3.27Å; K148-E303 WeakPolarHBondContact CE-OE1 3.38Å; K148-E303 HydrophobicContact CG-CG 4.04Å; K148-E303 IonicContact NZ-OE1 2.88Å; K148-E303 PolarHBondContact NZ-OE1 3.16Å; K148-P304 HydrophobicContact CG-CG 4.17Å; K148-V306 HydrophobicContact CG-CG2 4.1Å
149	R	95.5	Very high	90.2	Very high	59 Å²	59	48.2 Å²	48.2	22%	0.223	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-38.5	176.8	-68.6	-171	-51.5	-81.1	4.5	112.6	S141 D145 A146 F147 A153	S141-R149 PolarHBondContact OG-NH2 3.22Å; D145-R149 WeakPolarHBondContact O-CG 3.21Å; D145-R149 PolarHBondContact O-N 2.94Å; D145-R149 VanDerWaalsContact O-N 3.13Å; D145-R149 PolarHBondContact O-NH1 3.5Å; A146-R149 PolarHBondContact O-N 3.03Å; F147-R149 VanDerWaalsContact C-N 3.33Å; F147-R149 PolarHBondContact O-N 2.91Å; R149-A153 WeakPolarHBondContact O-CB 3.33Å; R149-A153 PolarHBondContact O-N 2.84Å
150	A	97.1	Very high	92.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.1	-46.3	178.7	0	0	0	0	0	112.1	L76 F125 A146 F147 K148 A153 L154	L76-A150 HydrophobicContact CD2-CB 3.72Å; L76-A150 HydrophobicContact CG-CB 4.29Å; F125-A150 HydrophobicContact CZ-CB 4.34Å; A146-A150 PolarHBondContact O-N 2.95Å; F147-A150 WeakPolarHBondContact O-CB 3.31Å; F147-A150 PolarHBondContact O-N 3.5Å; K148-A150 PolarHBondContact O-N 3.05Å; A150-A153 PolarHBondContact O-N 2.88Å; A150-L154 PolarHBondContact O-N 2.7Å
151	F	98.5	Very high	94.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62	-51.6	176.5	-86.7	-122	0	0	0	111.4	L72 L76 F147 K148 A153 L154 D155 A184 V186 A197 L199 F265 S302 P304	L72-F151 HydrophobicContact CD1-CD2 3.86Å; L72-F151 HydrophobicContact CD1-CE2 4.1Å; L72-F151 HydrophobicContact CD1-CG 4.27Å; L72-F151 HydrophobicContact CD2-CD2 4.4Å; L72-F151 HydrophobicContact CD2-CE1 4.27Å; L72-F151 HydrophobicContact CD2-CE2 3.86Å; L72-F151 HydrophobicContact CD2-CZ 3.78Å; L72-F151 HydrophobicContact CG-CE2 4.4Å; L76-F151 HydrophobicContact CD1-CE2 4.37Å; L76-F151 HydrophobicContact CD2-CD2 3.98Å; L76-F151 HydrophobicContact CD2-CE2 3.82Å; F147-F151 VanDerWaalsContact O-CD2 3.27Å; F147-F151 WeakPolarHBondContact O-CD2 3.34Å; F147-F151 PolarHBondContact O-N 3.3Å; K148-F151 PolarHBondContact O-N 3.39Å; F151-A153 VanDerWaalsContact C-N 3.31Å; F151-A153 PolarHBondContact O-N 3.48Å; F151-L154 PolarHBondContact O-N 3.27Å; F151-D155 PolarHBondContact O-N 3.48Å; F151-D155 VanDerWaalsContact O-N 3.09Å; F151-A184 HydrophobicContact CE1-CB 4.01Å; F151-A184 HydrophobicContact CZ-CB 4.43Å; F151-V186 HydrophobicContact CZ-CG2 4.35Å; F151-A197 HydrophobicContact CE2-CB 3.69Å; F151-A197 HydrophobicContact CZ-CB 3.69Å; F151-L199 HydrophobicContact CD1-CB 4.25Å; F151-L199 HydrophobicContact CD1-CD2 4.16Å; F151-L199 HydrophobicContact CE1-CB 3.84Å; F151-L199 HydrophobicContact CE1-CD2 4.33Å; F151-F265 HydrophobicContact CB-CE1 4.42Å; F151-F265 HydrophobicContact CB-CZ 3.95Å; F151-F265 HydrophobicContact CD1-CE1 4.39Å; F151-F265 AromaticContact CD1-CE2 3.5Å; F151-F265 HydrophobicContact CD1-CE2 3.5Å; F151-F265 VanDerWaalsContact CD1-CE2 3.5Å; F151-F265 AromaticContact CD1-CZ 3.29Å; F151-F265 HydrophobicContact CD1-CZ 3.29Å; F151-F265 AromaticContact CE1-CE2 3.69Å; F151-F265 HydrophobicContact CE1-CE2 3.69Å; F151-F265 AromaticContact CE1-CZ 3.9Å; F151-F265 HydrophobicContact CE1-CZ 3.9Å; F151-F265 HydrophobicContact CG-CE2 4.34Å; F151-F265 AromaticContact CG-CZ 3.69Å; F151-F265 HydrophobicContact CG-CZ 3.69Å; F151-F265 VanDerWaalsContact O-CE1 3.29Å; F151-F265 WeakPolarHBondContact O-CE1 3.29Å; F151-S302 WeakPolarHBondContact CB-O 3.24Å; F151-P304 VanDerWaalsContact CB-CD 3.49Å; F151-P304 HydrophobicContact CB-CG 3.91Å; F151-P304 HydrophobicContact CD1-CB 3.76Å; F151-P304 HydrophobicContact CD1-CG 3.75Å; F151-P304 HydrophobicContact CD2-CB 4.46Å; F151-P304 HydrophobicContact CD2-CG 3.82Å; F151-P304 HydrophobicContact CE1-CB 3.82Å; F151-P304 HydrophobicContact CE1-CG 4.18Å; F151-P304 HydrophobicContact CE2-CB 4.48Å; F151-P304 HydrophobicContact CE2-CG 4.22Å; F151-P304 HydrophobicContact CG-CB 4.12Å; F151-P304 HydrophobicContact CG-CG 3.56Å; F151-P304 HydrophobicContact CZ-CB 4.19Å; F151-P304 HydrophobicContact CZ-CG 4.4Å
152	L	98.2	Very high	96	Very high	66 Å²	66	37 Å²	37	35%	0.346	18%	0.175	S	C	.	.	H	α-helix	trans	-59	-41.6	178.8	-71.1	171.7	0	0	0	112.3	K148 D155 E156 E303	K148-L152 WeakPolarHBondContact O-CG 3.37Å; K148-L152 PolarHBondContact O-N 2.79Å; K148-L152 VanDerWaalsContact O-N 3.13Å; L152-D155 PolarHBondContact O-N 3.39Å; L152-E156 WeakPolarHBondContact O-CB 3.06Å; L152-E156 PolarHBondContact O-N 3.47Å; L152-E303 HydrophobicContact CD1-CB 4.42Å; L152-E303 HydrophobicContact CD1-CG 4.42Å; L152-E303 HydrophobicContact CD2-CB 4.02Å; L152-E303 HydrophobicContact CG-CB 4.31Å
153	A	97.6	Very high	96.5	Very high	14 Å²	14	36.2 Å²	36.2	12%	0.116	17%	0.171	C	C	.	.	H	α-helix	trans	-66.9	-41.9	180	0	0	0	0	0	112.7	Y75 F125 R149 A150 F151 E156 D157	Y75-A153 HydrophobicContact CD1-CB 3.95Å; Y75-A153 HydrophobicContact CE1-CB 4.02Å; F125-A153 HydrophobicContact CD2-CB 3.34Å; F125-A153 HydrophobicContact CE2-CB 3.43Å; F125-A153 VanDerWaalsContact CE2-CB 3.43Å; F125-A153 HydrophobicContact CG-CB 4.34Å; F125-A153 HydrophobicContact CZ-CB 4.48Å; R149-A153 WeakPolarHBondContact O-CB 3.33Å; R149-A153 PolarHBondContact O-N 2.84Å; A150-A153 PolarHBondContact O-N 2.88Å; F151-A153 VanDerWaalsContact C-N 3.31Å; F151-A153 PolarHBondContact O-N 3.48Å; A153-E156 PolarHBondContact O-N 2.84Å; A153-D157 WeakPolarHBondContact O-CB 3.43Å; A153-D157 VanDerWaalsContact O-CG 3.31Å; A153-D157 PolarHBondContact O-N 2.83Å
154	L	98.3	Very high	96.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.6	-46.9	175.4	173.1	63.9	0	0	0	111	V68 R71 L72 Y75 A150 F151 E156 D157 L158 F265	V68-L154 HydrophobicContact CB-CD2 4.48Å; V68-L154 HydrophobicContact CG1-CD2 4.21Å; V68-L154 HydrophobicContact CG2-CD2 4.36Å; R71-L154 HydrophobicContact CB-CD1 3.86Å; L72-L154 HydrophobicContact CB-CD2 3.72Å; L72-L154 HydrophobicContact CD1-CB 4.48Å; L72-L154 HydrophobicContact CD1-CD2 3.76Å; L72-L154 HydrophobicContact CG-CD2 4.3Å; Y75-L154 HydrophobicContact CD1-CB 4.31Å; Y75-L154 HydrophobicContact CD2-CB 4.18Å; Y75-L154 HydrophobicContact CD2-CD1 4.13Å; Y75-L154 HydrophobicContact CE1-CB 4.34Å; Y75-L154 HydrophobicContact CE2-CB 4.22Å; Y75-L154 HydrophobicContact CE2-CD1 3.63Å; Y75-L154 HydrophobicContact CE2-CG 4.49Å; Y75-L154 HydrophobicContact CG-CB 4.22Å; A150-L154 PolarHBondContact O-N 2.7Å; F151-L154 PolarHBondContact O-N 3.27Å; L154-E156 VanDerWaalsContact C-N 3.33Å; L154-E156 PolarHBondContact O-N 3.42Å; L154-D157 PolarHBondContact O-N 3.24Å; L154-L158 HydrophobicContact CD1-CD1 4.24Å; L154-L158 HydrophobicContact CD1-CG 4.1Å; L154-L158 HydrophobicContact CG-CD1 4.08Å; L154-L158 HydrophobicContact CG-CG 4.37Å; L154-L158 VanDerWaalsContact O-CG 3.3Å; L154-L158 WeakPolarHBondContact O-CG 3.42Å; L154-L158 PolarHBondContact O-N 3.36Å; L154-F265 HydrophobicContact CB-CE1 4.21Å; L154-F265 HydrophobicContact CD2-CE1 3.97Å; L154-F265 HydrophobicContact CD2-CZ 4.31Å; L154-F265 HydrophobicContact CG-CE1 4.21Å
155	D	98.7	Very high	96.3	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-41.8	179.7	-165.7	54.6	0	0	0	111.6	F151 L152 D157 L158 I159 F265 G266 K271 S302	F151-D155 PolarHBondContact O-N 3.48Å; F151-D155 VanDerWaalsContact O-N 3.09Å; L152-D155 PolarHBondContact O-N 3.39Å; D155-D157 PolarHBondContact O-N 2.95Å; D155-L158 PolarHBondContact O-N 3.25Å; D155-I159 WeakPolarHBondContact O-CB 3.27Å; D155-I159 WeakPolarHBondContact O-CG1 3.29Å; D155-I159 PolarHBondContact O-N 3.31Å; D155-F265 HydrophobicContact CB-CD1 3.73Å; D155-F265 HydrophobicContact CB-CE1 4.06Å; D155-F265 WeakPolarHBondContact OD1-CA 3.42Å; D155-G266 PolarHBondContact OD1-N 2.79Å; D155-K271 VanDerWaalsContact CG-NZ 3.32Å; D155-K271 IonicContact OD1-NZ 3.81Å; D155-K271 PolarHBondContact OD1-NZ 2.72Å; D155-K271 VanDerWaalsContact OD1-NZ 3.16Å; D155-K271 IonicContact OD2-NZ 2.65Å; D155-K271 PolarHBondContact OD2-NZ 2.75Å; D155-S302 WeakPolarHBondContact CB-OG 3.43Å; D155-S302 VanDerWaalsContact CG-CB 3.44Å; D155-S302 WeakPolarHBondContact OD2-CB 3.45Å; D155-S302 PolarHBondContact OD2-OG 3.26Å
156	E	98.2	Very high	96.3	Very high	104 Å²	104	45.7 Å²	45.7	49%	0.486	21%	0.212	S	C	.	.	H	α-helix	trans	-61.6	-42.1	175	-167.5	-171.4	161.1	0	0	112	L152 A153 L154 I159 K160	L152-E156 WeakPolarHBondContact O-CB 3.06Å; L152-E156 PolarHBondContact O-N 3.47Å; A153-E156 PolarHBondContact O-N 2.84Å; L154-E156 VanDerWaalsContact C-N 3.33Å; L154-E156 PolarHBondContact O-N 3.42Å; E156-I159 PolarHBondContact O-N 3.15Å; E156-K160 HydrophobicContact CG-CD 4.44Å; E156-K160 VanDerWaalsContact O-CG 3.3Å; E156-K160 WeakPolarHBondContact O-CG 2.99Å; E156-K160 PolarHBondContact O-N 3.29Å; E156-K160 WeakPolarHBondContact OE1-CE 3.22Å; E156-K160 IonicContact OE1-NZ 3.07Å; E156-K160 PolarHBondContact OE1-NZ 3.2Å
157	D	97.9	Very high	96.2	Very high	15 Å²	15	50.2 Å²	50.2	8%	0.08	24%	0.244	C	C	.	.	H	α-helix	trans	-68.7	-40.6	178.1	-72.3	-21.7	0	0	0	112	Y75 N121 A153 L154 D155 I159 K160 E161	Y75-D157 WeakPolarHBondContact CE1-OD2 3.29Å; Y75-D157 PolarHBondContact OH-OD2 3.39Å; N121-D157 HydrophobicContact CB-CB 4.41Å; N121-D157 WeakPolarHBondContact CB-OD2 2.9Å; A153-D157 WeakPolarHBondContact O-CB 3.43Å; A153-D157 VanDerWaalsContact O-CG 3.31Å; A153-D157 PolarHBondContact O-N 2.83Å; L154-D157 PolarHBondContact O-N 3.24Å; D155-D157 PolarHBondContact O-N 2.95Å; D157-I159 VanDerWaalsContact C-N 3.32Å; D157-I159 PolarHBondContact O-N 3Å; D157-K160 PolarHBondContact O-N 3.49Å; D157-K160 IonicContact OD1-NZ 2.71Å; D157-E161 VanDerWaalsContact O-CG 3.23Å; D157-E161 WeakPolarHBondContact O-CG 3.1Å; D157-E161 PolarHBondContact O-N 3.02Å
158	L	97.8	Very high	95.9	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-58.9	-44.8	171.8	-68.6	173.1	0	0	0	111	A67 V68 R71 L154 D155 E161 A162 T177 V178	A67-L158 HydrophobicContact CB-CD2 3.96Å; V68-L158 HydrophobicContact CG2-CD1 4.22Å; R71-L158 VanDerWaalsContact NH1-CD2 3.28Å; L154-L158 HydrophobicContact CD1-CD1 4.24Å; L154-L158 HydrophobicContact CD1-CG 4.1Å; L154-L158 HydrophobicContact CG-CD1 4.08Å; L154-L158 HydrophobicContact CG-CG 4.37Å; L154-L158 VanDerWaalsContact O-CG 3.3Å; L154-L158 WeakPolarHBondContact O-CG 3.42Å; L154-L158 PolarHBondContact O-N 3.36Å; D155-L158 PolarHBondContact O-N 3.25Å; L158-E161 PolarHBondContact O-N 3.47Å; L158-A162 PolarHBondContact O-N 2.87Å; L158-T177 HydrophobicContact CD2-CG2 4.2Å; L158-V178 VanDerWaalsContact C-CG1 3.46Å; L158-V178 HydrophobicContact CB-CG1 3.99Å; L158-V178 WeakPolarHBondContact O-CG1 3.34Å
159	I	97.4	Very high	95.7	Very high	27 Å²	27	54.9 Å²	54.9	14%	0.138	28%	0.28	C	S	.	.	H	α-helix	trans	-60.8	-46.7	176.5	-71.5	169.3	0	0	0	111.1	D155 E156 D157 E161 A162 L163 V268 K271 W272	D155-I159 WeakPolarHBondContact O-CB 3.27Å; D155-I159 WeakPolarHBondContact O-CG1 3.29Å; D155-I159 PolarHBondContact O-N 3.31Å; E156-I159 PolarHBondContact O-N 3.15Å; D157-I159 VanDerWaalsContact C-N 3.32Å; D157-I159 PolarHBondContact O-N 3Å; I159-E161 VanDerWaalsContact C-N 3.31Å; I159-E161 PolarHBondContact O-N 3Å; I159-A162 PolarHBondContact O-N 3.34Å; I159-A162 VanDerWaalsContact O-N 3.13Å; I159-L163 WeakPolarHBondContact O-CG 3.03Å; I159-L163 PolarHBondContact O-N 3.1Å; I159-V268 HydrophobicContact CD1-CG1 4.18Å; I159-V268 HydrophobicContact CG1-CG1 3.73Å; I159-K271 HydrophobicContact CD1-CD 4.19Å; I159-W272 HydrophobicContact CG2-CZ2 4.11Å
160	K	96.4	Very high	95.6	Very high	102 Å²	102	52.8 Å²	52.8	44%	0.443	27%	0.273	S	S	.	.	H	α-helix	trans	-61.3	-38.8	178.5	-76.2	169	-175.1	157.4	0	112.4	E156 D157 A162 L163	E156-K160 HydrophobicContact CG-CD 4.44Å; E156-K160 VanDerWaalsContact O-CG 3.3Å; E156-K160 WeakPolarHBondContact O-CG 2.99Å; E156-K160 PolarHBondContact O-N 3.29Å; E156-K160 WeakPolarHBondContact OE1-CE 3.22Å; E156-K160 IonicContact OE1-NZ 3.07Å; E156-K160 PolarHBondContact OE1-NZ 3.2Å; D157-K160 PolarHBondContact O-N 3.49Å; D157-K160 IonicContact OD1-NZ 2.71Å; K160-A162 PolarHBondContact O-N 3.08Å; K160-L163 WeakPolarHBondContact O-CB 3.3Å; K160-L163 PolarHBondContact O-N 2.67Å; K160-L163 VanDerWaalsContact O-N 3.13Å
161	E	94.9	Very high	95.4	Very high	27 Å²	27	55.5 Å²	55.5	13%	0.126	29%	0.288	C	S	.	.	H	α-helix	trans	-62.6	-23.8	176.8	-74.2	163.7	-159.4	0	0	113.2	R71 Q117 N121 D157 L158 I159 S174	R71-E161 IonicContact CZ-OE1 3.93Å; R71-E161 IonicContact CZ-OE2 2.8Å; R71-E161 VanDerWaalsContact NH1-CD 3.33Å; R71-E161 IonicContact NH1-OE1 3.75Å; R71-E161 PolarHBondContact NH1-OE1 2.86Å; R71-E161 VanDerWaalsContact NH1-OE1 3.07Å; R71-E161 IonicContact NH1-OE2 3.75Å; R71-E161 PolarHBondContact NH1-OE2 2.69Å; R71-E161 IonicContact NH2-OE1 2.74Å; R71-E161 PolarHBondContact NH2-OE1 3.46Å; R71-E161 IonicContact NH2-OE2 3.29Å; Q117-E161 HydrophobicContact CG-CG 4.12Å; N121-E161 PolarHBondContact ND2-OE1 3.33Å; D157-E161 VanDerWaalsContact O-CG 3.23Å; D157-E161 WeakPolarHBondContact O-CG 3.1Å; D157-E161 PolarHBondContact O-N 3.02Å; L158-E161 PolarHBondContact O-N 3.47Å; I159-E161 VanDerWaalsContact C-N 3.31Å; I159-E161 PolarHBondContact O-N 3Å; E161-S174 WeakPolarHBondContact O-CB 3.2Å; E161-S174 PolarHBondContact O-OG 2.87Å
162	A	94.7	Very high	95.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-6	177.2	0	0	0	0	0	114	L158 I159 K160 V178 W272	L158-A162 PolarHBondContact O-N 2.87Å; I159-A162 PolarHBondContact O-N 3.34Å; I159-A162 VanDerWaalsContact O-N 3.13Å; K160-A162 PolarHBondContact O-N 3.08Å; A162-V178 HydrophobicContact CB-CB 4.37Å; A162-V178 HydrophobicContact CB-CG1 4.05Å; A162-V178 HydrophobicContact CB-CG2 3.39Å; A162-W272 HydrophobicContact CB-CH2 4.44Å
163	L	94.8	Very high	94.9	Very high	62 Å²	62	57.3 Å²	57.3	33%	0.325	30%	0.303	S	S	.	.	S	Bend	trans	-77.7	154.2	176.1	-62.7	-179.1	0	0	0	110.8	I159 K160 D165 W272 I280	I159-L163 WeakPolarHBondContact O-CG 3.03Å; I159-L163 PolarHBondContact O-N 3.1Å; K160-L163 WeakPolarHBondContact O-CB 3.3Å; K160-L163 PolarHBondContact O-N 2.67Å; K160-L163 VanDerWaalsContact O-N 3.13Å; L163-D165 PolarHBondContact O-N 3.23Å; L163-W272 HydrophobicContact CD2-CZ2 3.91Å; L163-I280 HydrophobicContact CD2-CD1 3.58Å
164	P	93.7	Very high	94.8	Very high	62 Å²	62	57.2 Å²	57.2	40%	0.403	30%	0.301	S	S	.	.			trans	-56.2	132.9	173.1	-19.3	28.4	0	0	0	111.4	H169 I170 I280	P164-H169 CarbonylContact C-O 3.57Å; P164-H169 WeakPolarHBondContact CA-O 2.84Å; P164-I170 HydrophobicContact CB-CG1 4.02Å; P164-I170 HydrophobicContact CG-CD1 4.1Å; P164-I170 HydrophobicContact CG-CG1 3.74Å; P164-I280 HydrophobicContact CG-CG1 4.49Å
165	D	92.2	Very high	94.7	Very high	85 Å²	85	57.3 Å²	57.3	46%	0.455	30%	0.302	S	S	.	.			trans	-71.1	-175.4	173.3	75.3	9	0	0	0	111.8	L163 S167 G168 H169	L163-D165 PolarHBondContact O-N 3.23Å; D165-S167 PolarHBondContact O-N 2.84Å; D165-S167 VanDerWaalsContact O-N 3.12Å; D165-S167 VanDerWaalsContact OD1-CA 3.27Å; D165-S167 WeakPolarHBondContact OD1-CA 3Å; D165-S167 WeakPolarHBondContact OD1-CB 3.46Å; D165-S167 PolarHBondContact OD1-N 3.49Å; D165-S167 PolarHBondContact OD1-OG 3.42Å; D165-S167 PolarHBondContact OD2-OG 2.83Å; D165-G168 PolarHBondContact O-N 2.84Å; D165-G168 PolarHBondContact OD1-N 2.64Å; D165-G168 VanDerWaalsContact OD1-N 3.1Å; D165-H169 PolarHBondContact N-O 2.97Å; D165-H169 PolarHBondContact OD1-N 2.99Å
166	R	91.9	Very high	94.5	Very high	264 Å²	264	62.5 Å²	62.5	100%	0.996	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.1	179.6	-64.7	-177.2	-178.3	-180	0.9	113.9
167	S	92.6	Very high	94.4	Very high	95 Å²	95	58.6 Å²	58.6	66%	0.664	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-3.1	175.1	75.8	0	0	0	0	113.1	D165 H169	D165-S167 PolarHBondContact O-N 2.84Å; D165-S167 VanDerWaalsContact O-N 3.12Å; D165-S167 VanDerWaalsContact OD1-CA 3.27Å; D165-S167 WeakPolarHBondContact OD1-CA 3Å; D165-S167 WeakPolarHBondContact OD1-CB 3.46Å; D165-S167 PolarHBondContact OD1-N 3.49Å; D165-S167 PolarHBondContact OD1-OG 3.42Å; D165-S167 PolarHBondContact OD2-OG 2.83Å; S167-H169 VanDerWaalsContact C-N 3.29Å
168	G	90.8	Very high	94.4	Very high	51 Å²	51	57.9 Å²	57.9	53%	0.526	30%	0.3	S	S	.	.	S	Bend	trans	80.5	7.6	-173.8	0	0	0	0	0	113.6	D165	D165-G168 PolarHBondContact O-N 2.84Å; D165-G168 PolarHBondContact OD1-N 2.64Å; D165-G168 VanDerWaalsContact OD1-N 3.1Å
169	H	93.1	Very high	94.3	Very high	111 Å²	111	58.6 Å²	58.6	51%	0.514	30%	0.304	S	S	.	.			trans	-77.5	135.8	177.7	179.7	73	0	0	0	110.8	P164 D165 S167	P164-H169 CarbonylContact C-O 3.57Å; P164-H169 WeakPolarHBondContact CA-O 2.84Å; D165-H169 PolarHBondContact N-O 2.97Å; D165-H169 PolarHBondContact OD1-N 2.99Å; S167-H169 VanDerWaalsContact C-N 3.29Å
170	I	93.2	Very high	94.3	Very high	14 Å²	14	57.4 Å²	57.4	7%	0.072	30%	0.298	C	S	.	.			trans	-109.9	121.6	176.3	-60.7	163.1	0	0	0	107.9	P164 A172 L175 I280 T283 L284	P164-I170 HydrophobicContact CB-CG1 4.02Å; P164-I170 HydrophobicContact CG-CD1 4.1Å; P164-I170 HydrophobicContact CG-CG1 3.74Å; I170-A172 PolarHBondContact O-N 2.88Å; I170-L175 HydrophobicContact CG2-CB 4.27Å; I170-L175 HydrophobicContact CG2-CD2 4.33Å; I170-I280 HydrophobicContact CD1-CG2 4.01Å; I170-I280 HydrophobicContact CG2-CG2 4.4Å; I170-T283 HydrophobicContact CD1-CG2 4.17Å; I170-L284 HydrophobicContact CB-CD1 3.91Å; I170-L284 HydrophobicContact CG2-CD1 3.57Å
171	D	92.9	Very high	94.4	Very high	57 Å²	57	52.5 Å²	52.5	31%	0.305	28%	0.276	S	S	.	.			trans	-70.8	118.2	174	-176.7	84.7	0	0	0	110.1	D173 S174 L175	D171-D173 VanDerWaalsContact C-N 3.28Å; D171-D173 PolarHBondContact O-N 2.88Å; D171-D173 WeakPolarHBondContact OD2-CA 3.18Å; D171-D173 WeakPolarHBondContact OD2-CB 3.24Å; D171-D173 PolarHBondContact OD2-N 2.93Å; D171-S174 PolarHBondContact O-N 3.46Å; D171-S174 PolarHBondContact OD2-N 3.2Å; D171-S174 PolarHBondContact OD2-OG 3.27Å; D171-L175 PolarHBondContact O-N 3.15Å
172	A	93.3	Very high	94.6	Very high	35 Å²	35	51.2 Å²	51.2	29%	0.289	27%	0.27	S	S	.	.	H	α-helix	trans	-66.2	-29.1	-174.3	0	0	0	0	0	113.1	I170 R176 L284	I170-A172 PolarHBondContact O-N 2.88Å; A172-R176 VanDerWaalsContact O-CG 3.28Å; A172-R176 WeakPolarHBondContact O-CG 3.45Å; A172-R176 PolarHBondContact O-N 3.16Å; A172-L284 HydrophobicContact CB-CD1 4.11Å
173	D	93.4	Very high	94.8	Very high	69 Å²	69	51.2 Å²	51.2	37%	0.369	27%	0.27	S	S	.	.	H	α-helix	trans	-80.5	-38.8	-179.3	-69.7	-20.5	0	0	0	111.4	K113 D171 L175 R176 T177	K113-D173 IonicContact NZ-OD2 2.68Å; K113-D173 PolarHBondContact NZ-OD2 3.35Å; D171-D173 VanDerWaalsContact C-N 3.28Å; D171-D173 PolarHBondContact O-N 2.88Å; D171-D173 WeakPolarHBondContact OD2-CA 3.18Å; D171-D173 WeakPolarHBondContact OD2-CB 3.24Å; D171-D173 PolarHBondContact OD2-N 2.93Å; D173-L175 VanDerWaalsContact C-N 3.32Å; D173-R176 PolarHBondContact O-N 3.49Å; D173-R176 IonicContact OD1-CZ 2.58Å; D173-R176 IonicContact OD1-NH1 2.65Å; D173-R176 PolarHBondContact OD1-NH1 3.3Å; D173-T177 WeakPolarHBondContact O-CB 3.19Å; D173-T177 PolarHBondContact O-N 3.16Å; D173-T177 PolarHBondContact O-OG1 3.14Å
174	S	94.9	Very high	95	Very high	12 Å²	12	48.3 Å²	48.3	8%	0.084	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-43.9	169	-62.1	0	0	0	0	110.7	E161 D171 T177 V178	E161-S174 WeakPolarHBondContact O-CB 3.2Å; E161-S174 PolarHBondContact O-OG 2.87Å; D171-S174 PolarHBondContact O-N 3.46Å; D171-S174 PolarHBondContact OD2-N 3.2Å; D171-S174 PolarHBondContact OD2-OG 3.27Å; S174-T177 WeakPolarHBondContact O-CB 3.38Å; S174-T177 PolarHBondContact O-N 2.92Å; S174-V178 PolarHBondContact O-N 3.35Å; S174-V178 VanDerWaalsContact O-N 3.1Å
175	L	95.2	Very high	95.2	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-45	175.1	-175.6	63.2	0	0	0	111.8	I170 D171 D173 T177 V178 M179 W272 I280 L284 L285	I170-L175 HydrophobicContact CG2-CB 4.27Å; I170-L175 HydrophobicContact CG2-CD2 4.33Å; D171-L175 PolarHBondContact O-N 3.15Å; D173-L175 VanDerWaalsContact C-N 3.32Å; L175-T177 VanDerWaalsContact C-N 3.31Å; L175-T177 PolarHBondContact O-N 3.2Å; L175-V178 HydrophobicContact CD1-CG2 4.29Å; L175-V178 WeakPolarHBondContact O-CG2 3.26Å; L175-V178 PolarHBondContact O-N 3.24Å; L175-M179 HydrophobicContact CD1-CG 3.97Å; L175-M179 HydrophobicContact CG-CG 4.08Å; L175-M179 VanDerWaalsContact O-CB 3.25Å; L175-M179 WeakPolarHBondContact O-CB 3.45Å; L175-M179 WeakPolarHBondContact O-CG 3.33Å; L175-M179 PolarHBondContact O-N 2.99Å; L175-W272 HydrophobicContact CD1-CH2 4Å; L175-W272 HydrophobicContact CD1-CZ3 4.14Å; L175-I280 HydrophobicContact CD1-CG2 3.95Å; L175-L284 HydrophobicContact CD2-CB 3.98Å; L175-L284 HydrophobicContact CD2-CD1 3.75Å; L175-L284 HydrophobicContact CD2-CG 4.33Å; L175-L285 HydrophobicContact CD2-CD1 4.47Å
176	R	94.9	Very high	95.5	Very high	116 Å²	116	41.3 Å²	41.3	44%	0.438	21%	0.214	S	C	.	.	H	α-helix	trans	-57.8	-44.6	174.4	-76.1	172.6	-172.5	124.6	3.7	111.7	E63 A172 D173 V178 M179 S180	E63-R176 HydrophobicContact CG-CB 4.29Å; A172-R176 VanDerWaalsContact O-CG 3.28Å; A172-R176 WeakPolarHBondContact O-CG 3.45Å; A172-R176 PolarHBondContact O-N 3.16Å; D173-R176 PolarHBondContact O-N 3.49Å; D173-R176 IonicContact OD1-CZ 2.58Å; D173-R176 IonicContact OD1-NH1 2.65Å; D173-R176 PolarHBondContact OD1-NH1 3.3Å; R176-V178 VanDerWaalsContact C-N 3.35Å; R176-V178 PolarHBondContact O-N 2.81Å; R176-M179 PolarHBondContact O-N 3.02Å; R176-S180 PolarHBondContact O-N 2.67Å; R176-S180 PolarHBondContact O-OG 2.84Å
177	T	96.9	Very high	95.8	Very high	21 Å²	21	28.7 Å²	28.7	13%	0.129	17%	0.167	C	C	.	.	H	α-helix	trans	-55.2	-48.2	179	-58.3	0	0	0	0	111.8	C64 A67 L158 D173 S174 L175 S180	C64-T177 VanDerWaalsContact CB-O 3.28Å; C64-T177 WeakPolarHBondContact CB-O 3.3Å; A67-T177 HydrophobicContact CB-CG2 3.54Å; L158-T177 HydrophobicContact CD2-CG2 4.2Å; D173-T177 WeakPolarHBondContact O-CB 3.19Å; D173-T177 PolarHBondContact O-N 3.16Å; D173-T177 PolarHBondContact O-OG1 3.14Å; S174-T177 WeakPolarHBondContact O-CB 3.38Å; S174-T177 PolarHBondContact O-N 2.92Å; L175-T177 VanDerWaalsContact C-N 3.31Å; L175-T177 PolarHBondContact O-N 3.2Å; T177-S180 PolarHBondContact O-OG 3.24Å
178	V	97.4	Very high	96	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-83.3	-14.5	-178.3	-56.7	0	0	0	0	113.9	L158 A162 S174 L175 R176 S180 G266 D267 V268 W272	L158-V178 VanDerWaalsContact C-CG1 3.46Å; L158-V178 HydrophobicContact CB-CG1 3.99Å; L158-V178 WeakPolarHBondContact O-CG1 3.34Å; A162-V178 HydrophobicContact CB-CB 4.37Å; A162-V178 HydrophobicContact CB-CG1 4.05Å; A162-V178 HydrophobicContact CB-CG2 3.39Å; S174-V178 PolarHBondContact O-N 3.35Å; S174-V178 VanDerWaalsContact O-N 3.1Å; L175-V178 HydrophobicContact CD1-CG2 4.29Å; L175-V178 WeakPolarHBondContact O-CG2 3.26Å; L175-V178 PolarHBondContact O-N 3.24Å; R176-V178 VanDerWaalsContact C-N 3.35Å; R176-V178 PolarHBondContact O-N 2.81Å; V178-S180 CarbonylContact C-O 3.48Å; V178-G266 CarbonylContact O-C 3.48Å; V178-D267 PolarHBondContact O-N 2.86Å; V178-V268 HydrophobicContact CB-CG1 3.68Å; V178-V268 HydrophobicContact CB-CG2 4.38Å; V178-V268 HydrophobicContact CG2-CG1 3.9Å; V178-V268 HydrophobicContact CG2-CG2 3.93Å; V178-V268 WeakPolarHBondContact O-CG2 3.29Å; V178-V268 PolarHBondContact O-N 2.78Å; V178-W272 HydrophobicContact CG2-CH2 4.26Å; V178-W272 HydrophobicContact CG2-CZ2 4.5Å
179	M	96	Very high	96.3	Very high	17 Å²	17	21.9 Å²	21.9	8%	0.084	11%	0.111	C	C	.	.	H	α-helix	trans	-81.2	-33	173.9	-76	-67.8	-62	0	0	112.5	L175 R176 V268 R269 I281 L285	L175-M179 HydrophobicContact CD1-CG 3.97Å; L175-M179 HydrophobicContact CG-CG 4.08Å; L175-M179 VanDerWaalsContact O-CB 3.25Å; L175-M179 WeakPolarHBondContact O-CB 3.45Å; L175-M179 WeakPolarHBondContact O-CG 3.33Å; L175-M179 PolarHBondContact O-N 2.99Å; R176-M179 PolarHBondContact O-N 3.02Å; M179-V268 HydrophobicContact CG-CG2 4.45Å; M179-V268 HydrophobicContact SD-CG2 3.77Å; M179-R269 HydrophobicContact CE-CG 3.77Å; M179-R269 HydrophobicContact SD-CG 4.03Å; M179-I281 HydrophobicContact CE-CD1 3.95Å; M179-I281 HydrophobicContact CE-CG1 4.4Å; M179-I281 HydrophobicContact CE-CG2 4.03Å; M179-I281 HydrophobicContact SD-CD1 3.49Å; M179-I281 WeakPolarHBondContact SD-CD1 3.44Å; M179-I281 HydrophobicContact SD-CG1 3.78Å; M179-I281 HydrophobicContact SD-CG2 4.42Å; M179-L285 HydrophobicContact CE-CD1 4.27Å; M179-L285 HydrophobicContact CG-CD1 4.3Å
180	S	97.3	Very high	96.3	Very high	1 Å²	1	20 Å²	20	1%	0.007	10%	0.101	C	C	.	.	S	Bend	trans	-73.3	164.8	161.1	57.3	0	0	0	0	110.6	H59 G61 C64 R176 T177 V178 D267	H59-S180 WeakPolarHBondContact O-CA 3.23Å; H59-S180 WeakPolarHBondContact O-CB 3.33Å; G61-S180 WeakPolarHBondContact O-CB 3.47Å; C64-S180 VanDerWaalsContact CB-OG 3.3Å; C64-S180 WeakPolarHBondContact CB-OG 3.39Å; C64-S180 PolarHBondContact N-OG 3.03Å; R176-S180 PolarHBondContact O-N 2.67Å; R176-S180 PolarHBondContact O-OG 2.84Å; T177-S180 PolarHBondContact O-OG 3.24Å; V178-S180 CarbonylContact C-O 3.48Å; S180-D267 PolarHBondContact O-N 3.28Å
181	G	98.5	Very high	96.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	166.1	175.2	0	0	0	0	0	112.5	G58 H59 F265	G58-G181 WeakPolarHBondContact CA-O 3.45Å; H59-G181 PolarHBondContact N-O 2.76Å; H59-G181 WeakPolarHBondContact NE2-CA 3.45Å; H59-G181 PolarHBondContact O-N 2.96Å; G181-F265 VanDerWaalsContact CA-O 3.24Å; G181-F265 WeakPolarHBondContact CA-O 3.22Å
182	S	98.7	Very high	96.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	127.7	173.8	-179.5	0	0	0	0	112	D57 A65 F265	D57-S182 CarbonylContact O-C 3.35Å; D57-S182 WeakPolarHBondContact O-CA 3.22Å; D57-S182 PolarHBondContact O-OG 3.19Å; A65-S182 WeakPolarHBondContact CA-OG 3.47Å; S182-F265 PolarHBondContact N-O 2.76Å; S182-F265 PolarHBondContact O-N 2.9Å
183	C	98.7	Very high	96.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.			trans	-71.1	158.7	158.5	-63.5	0	0	0	0	109.9	F56 D57 L199 D201 P261	F56-C183 VanDerWaalsContact CA-O 3.24Å; F56-C183 WeakPolarHBondContact CA-O 3.46Å; D57-C183 HydrophobicContact CB-CB 4.15Å; D57-C183 PolarHBondContact N-O 2.85Å; D57-C183 PolarHBondContact O-N 3.43Å; C183-L199 CarbonylContact C-O 3.59Å; C183-L199 WeakPolarHBondContact CA-O 3.35Å; C183-L199 VanDerWaalsContact CB-O 3.32Å; C183-L199 WeakPolarHBondContact CB-O 3.37Å; C183-D201 PolarHBondContact SG-OD1 2.89Å; C183-P261 VanDerWaalsContact SG-CB 3.56Å
184	A	98.7	Very high	96.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	121.2	175.5	0	0	0	0	0	110.1	V55 F56 F151 L199 F265	V55-A184 WeakPolarHBondContact O-CA 3.48Å; F56-A184 HydrophobicContact CD1-CB 3.66Å; F56-A184 HydrophobicContact CE1-CB 3.91Å; F151-A184 HydrophobicContact CE1-CB 4.01Å; F151-A184 HydrophobicContact CZ-CB 4.43Å; A184-L199 HydrophobicContact CB-CB 4.38Å; A184-L199 PolarHBondContact N-O 3.45Å; A184-L199 PolarHBondContact O-N 2.92Å; A184-F265 HydrophobicContact CB-CD2 4.27Å; A184-F265 HydrophobicContact CB-CE2 3.88Å
185	C	98.7	Very high	96.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	112.9	166.2	-171.7	0	0	0	0	108.5	G54 V55 A197 Q198 L320	G54-C185 VanDerWaalsContact CA-O 3.31Å; G54-C185 WeakPolarHBondContact CA-O 3.39Å; V55-C185 PolarHBondContact N-O 3.27Å; V55-C185 PolarHBondContact O-N 3.13Å; C185-A197 WeakPolarHBondContact CA-O 3.48Å; C185-Q198 PolarHBondContact SG-OE1 3.1Å; C185-L320 HydrophobicContact CB-CD1 3.65Å; C185-L320 WeakPolarHBondContact SG-CD1 3.44Å
186	V	98.6	Very high	97.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120	-173	-178.3	0	0	0	0	110.5	F52 F53 F56 L72 Y73 L76 F151 I196 A197	F52-V186 HydrophobicContact CD1-CG1 4.13Å; F53-V186 CarbonylContact O-C 3.56Å; F53-V186 WeakPolarHBondContact O-CA 3.46Å; F56-V186 HydrophobicContact CE1-CG2 4.04Å; F56-V186 HydrophobicContact CZ-CG2 4.1Å; L72-V186 HydrophobicContact CD2-CG2 4Å; Y73-V186 HydrophobicContact CE1-CG1 3.76Å; Y73-V186 HydrophobicContact CE1-CG2 4.36Å; L76-V186 HydrophobicContact CD1-CG1 4Å; F151-V186 HydrophobicContact CZ-CG2 4.35Å; V186-I196 CarbonylContact O-C 3.44Å; V186-I196 WeakPolarHBondContact O-CA 3.33Å; V186-A197 HydrophobicContact CB-CB 4.5Å; V186-A197 PolarHBondContact N-O 3.15Å; V186-A197 PolarHBondContact O-N 2.75Å
187	A	98.4	Very high	97.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.6	168.8	0	0	0	0	0	110.6	F52 F53 L194 Y195 I196 L318	F52-A187 CarbonylContact C-O 3.57Å; F52-A187 VanDerWaalsContact CA-O 3.31Å; F52-A187 WeakPolarHBondContact CA-O 3.28Å; F53-A187 HydrophobicContact CB-CB 4.46Å; F53-A187 PolarHBondContact N-O 2.76Å; F53-A187 PolarHBondContact O-N 2.88Å; A187-L194 HydrophobicContact CB-CD1 4.31Å; A187-Y195 CarbonylContact C-O 3.48Å; A187-Y195 WeakPolarHBondContact CA-O 3.34Å; A187-I196 HydrophobicContact CB-CD1 3.73Å; A187-L318 HydrophobicContact CB-CD2 3.76Å
188	Y	97.6	Very high	97.3	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.012	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	118.8	171.6	174	-110.2	0	0	0	109.9	D48 S50 Y51 F52 I80 V143 F147 K190 L194 Y195	D48-Y188 PolarHBondContact OD2-OH 3.45Å; S50-Y188 VanDerWaalsContact CB-CZ 3.5Å; S50-Y188 WeakPolarHBondContact CB-OH 3.42Å; S50-Y188 WeakPolarHBondContact OG-CE2 3.27Å; S50-Y188 PolarHBondContact OG-OH 3.48Å; Y51-Y188 CarbonylContact O-C 3.44Å; Y51-Y188 WeakPolarHBondContact O-CA 3.49Å; F52-Y188 AromaticContact CD1-CD2 3.68Å; F52-Y188 HydrophobicContact CD1-CD2 3.68Å; F52-Y188 HydrophobicContact CD1-CG 4.44Å; F52-Y188 HydrophobicContact CD2-CD2 4.48Å; F52-Y188 AromaticContact CE1-CD2 3.2Å; F52-Y188 HydrophobicContact CE1-CD2 3.2Å; F52-Y188 AromaticContact CE1-CE2 3.85Å; F52-Y188 HydrophobicContact CE1-CE2 3.85Å; F52-Y188 AromaticContact CE1-CG 4Å; F52-Y188 HydrophobicContact CE1-CG 4Å; F52-Y188 HydrophobicContact CE2-CD2 4.09Å; F52-Y188 HydrophobicContact CE2-CE2 4.06Å; F52-Y188 HydrophobicContact CG-CD2 4.3Å; F52-Y188 AromaticContact CZ-CD2 3.43Å; F52-Y188 HydrophobicContact CZ-CD2 3.43Å; F52-Y188 VanDerWaalsContact CZ-CD2 3.43Å; F52-Y188 AromaticContact CZ-CE2 3.56Å; F52-Y188 HydrophobicContact CZ-CE2 3.56Å; I80-Y188 HydrophobicContact CD1-CE1 4.31Å; I80-Y188 HydrophobicContact CD1-CE2 3.89Å; I80-Y188 VanDerWaalsContact CD1-OH 3.24Å; I80-Y188 WeakPolarHBondContact CD1-OH 3.16Å; V143-Y188 HydrophobicContact CG1-CD1 4.36Å; F147-Y188 HydrophobicContact CE2-CD1 4.17Å; F147-Y188 AromaticContact CE2-CG 3.93Å; F147-Y188 HydrophobicContact CE2-CG 3.93Å; F147-Y188 AromaticContact CZ-CD1 3.81Å; F147-Y188 HydrophobicContact CZ-CD1 3.81Å; F147-Y188 HydrophobicContact CZ-CD2 4Å; F147-Y188 HydrophobicContact CZ-CE1 4.43Å; F147-Y188 AromaticContact CZ-CG 3.58Å; F147-Y188 HydrophobicContact CZ-CG 3.58Å; Y188-K190 HydrophobicContact CE1-CB 4.06Å; Y188-L194 WeakPolarHBondContact O-CA 3.45Å; Y188-Y195 AromaticContact CD1-CD2 3.81Å; Y188-Y195 HydrophobicContact CD1-CD2 3.81Å; Y188-Y195 HydrophobicContact CD1-CG 4.39Å; Y188-Y195 HydrophobicContact CE1-CD2 4.42Å; Y188-Y195 PolarHBondContact N-O 3.1Å; Y188-Y195 PolarHBondContact O-N 2.77Å
189	V	96.1	Very high	97.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.2	-175.3	-165.2	0	0	0	0	110.3	F21 V22 S50 Y51 L194 L311 F429	F21-V189 HydrophobicContact CD2-CG1 3.88Å; F21-V189 HydrophobicContact CE2-CB 4.47Å; F21-V189 HydrophobicContact CE2-CG1 4.05Å; F21-V189 WeakPolarHBondContact CE2-O 3.07Å; V22-V189 HydrophobicContact CG2-CB 4.16Å; V22-V189 HydrophobicContact CG2-CG1 3.84Å; S50-V189 CarbonylContact C-O 3.6Å; S50-V189 VanDerWaalsContact CA-O 3.3Å; S50-V189 WeakPolarHBondContact CA-O 3.48Å; S50-V189 WeakPolarHBondContact CB-O 3.31Å; Y51-V189 PolarHBondContact N-O 3.25Å; Y51-V189 PolarHBondContact O-N 3.46Å; V189-L194 HydrophobicContact CG2-CD1 3.88Å; V189-L311 HydrophobicContact CG1-CD1 4.37Å; V189-F429 HydrophobicContact CG1-CE1 4.02Å; V189-F429 HydrophobicContact CG2-CE1 4.35Å
190	K	93.8	Very high	97.5	Very high	72 Å²	72	14.4 Å²	14.4	31%	0.313	7%	0.069	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	103.7	174.7	-174.9	-173.5	-173.8	172.1	0	111	D48 Y188 R192 N193	D48-K190 VanDerWaalsContact O-CE 3.29Å; D48-K190 WeakPolarHBondContact O-CE 3.33Å; D48-K190 WeakPolarHBondContact OD1-CE 3.41Å; D48-K190 IonicContact OD1-NZ 3.98Å; D48-K190 PolarHBondContact OD1-NZ 2.78Å; D48-K190 VanDerWaalsContact OD2-CD 3.31Å; D48-K190 WeakPolarHBondContact OD2-CD 3.39Å; D48-K190 WeakPolarHBondContact OD2-CE 3.31Å; D48-K190 IonicContact OD2-NZ 3.88Å; D48-K190 PolarHBondContact OD2-NZ 2.88Å; Y188-K190 HydrophobicContact CE1-CB 4.06Å; K190-R192 PolarHBondContact O-N 2.66Å; K190-N193 PolarHBondContact N-O 2.75Å; K190-N193 WeakPolarHBondContact O-CB 3.13Å; K190-N193 PolarHBondContact O-N 3.36Å; K190-N193 PolarHBondContact O-ND2 2.87Å; K190-N193 VanDerWaalsContact O-ND2 3.13Å
191	G	93.1	Very high	97.5	Very high	27 Å²	27	15 Å²	15	28%	0.278	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	-122.6	-172.1	0	0	0	0	0	110.2
192	R	94.6	Very high	97.5	Very high	101 Å²	101	15 Å²	15	38%	0.381	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	1.7	174.8	-65.8	-174.5	176.7	-168.7	-4.8	114	K190 R310 L311 E313	K190-R192 PolarHBondContact O-N 2.66Å; R192-R310 HydrophobicContact CB-CG 4.47Å; R192-R310 CarbonylContact O-C 3.58Å; R192-R310 WeakPolarHBondContact O-CA 3.25Å; R192-L311 HydrophobicContact CB-CB 4.4Å; R192-L311 PolarHBondContact O-N 3.43Å; R192-E313 IonicContact NH2-OE1 3.42Å; R192-E313 PolarHBondContact NH2-OE1 3.45Å
193	N	96	Very high	97.5	Very high	57 Å²	57	15 Å²	15	31%	0.305	7%	0.073	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.7	-179.8	-54.7	-76.1	0	0	0	109.4	K190 Y195 Y308	K190-N193 PolarHBondContact N-O 2.75Å; K190-N193 WeakPolarHBondContact O-CB 3.13Å; K190-N193 PolarHBondContact O-N 3.36Å; K190-N193 PolarHBondContact O-ND2 2.87Å; K190-N193 VanDerWaalsContact O-ND2 3.13Å; N193-Y195 HydrophobicContact CB-CE2 4.06Å; N193-Y308 HydrophobicContact CB-CE2 4.06Å; N193-Y308 PolarHBondContact OD1-OH 3.04Å
194	L	97.7	Very high	97.5	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.5	172.9	175.1	64.1	0	0	0	108.7	A187 Y188 V189 I196 L206 L222 Y308 Y309 L311 L318	A187-L194 HydrophobicContact CB-CD1 4.31Å; Y188-L194 WeakPolarHBondContact O-CA 3.45Å; V189-L194 HydrophobicContact CG2-CD1 3.88Å; L194-I196 HydrophobicContact CD1-CD1 3.83Å; L194-I196 HydrophobicContact CD2-CD1 4.33Å; L194-I196 HydrophobicContact CG-CD1 4.08Å; L194-L206 HydrophobicContact CD2-CD1 4.5Å; L194-L222 HydrophobicContact CD2-CD1 3.63Å; L194-Y308 WeakPolarHBondContact O-CA 3.37Å; L194-Y309 WeakPolarHBondContact CB-O 3.36Å; L194-Y309 PolarHBondContact N-O 3.07Å; L194-Y309 PolarHBondContact O-N 3.22Å; L194-Y309 VanDerWaalsContact O-O 3.08Å; L194-L311 HydrophobicContact CB-CD1 4.4Å; L194-L311 HydrophobicContact CB-CD2 4.46Å; L194-L311 HydrophobicContact CB-CG 4.15Å; L194-L311 HydrophobicContact CD2-CD2 4.17Å; L194-L318 HydrophobicContact CD1-CD2 4.15Å; L194-L318 HydrophobicContact CD2-CD1 4.4Å; L194-L318 HydrophobicContact CD2-CD2 4.33Å
195	Y	98.5	Very high	97.5	Very high	39 Å²	39	15 Å²	15	15%	0.153	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.3	168.4	-66.3	-102.8	0	0	0	109.4	V143 R144 A187 Y188 N193 V306 Y307 Y308	V143-Y195 HydrophobicContact CB-CD1 4.08Å; V143-Y195 HydrophobicContact CB-CE1 3.66Å; V143-Y195 HydrophobicContact CB-CE2 4.2Å; V143-Y195 HydrophobicContact CG1-CD1 3.74Å; V143-Y195 HydrophobicContact CG1-CD2 4.02Å; V143-Y195 HydrophobicContact CG1-CE1 3.84Å; V143-Y195 HydrophobicContact CG1-CE2 4.11Å; V143-Y195 HydrophobicContact CG1-CG 3.83Å; V143-Y195 HydrophobicContact CG2-CE1 4.45Å; V143-Y195 HydrophobicContact CG2-CE2 4.24Å; R144-Y195 HydrophobicContact CG-CD1 4.37Å; R144-Y195 HydrophobicContact CG-CE1 4.22Å; A187-Y195 CarbonylContact C-O 3.48Å; A187-Y195 WeakPolarHBondContact CA-O 3.34Å; Y188-Y195 AromaticContact CD1-CD2 3.81Å; Y188-Y195 HydrophobicContact CD1-CD2 3.81Å; Y188-Y195 HydrophobicContact CD1-CG 4.39Å; Y188-Y195 HydrophobicContact CE1-CD2 4.42Å; Y188-Y195 PolarHBondContact N-O 3.1Å; Y188-Y195 PolarHBondContact O-N 2.77Å; N193-Y195 HydrophobicContact CB-CE2 4.06Å; Y195-V306 HydrophobicContact CD1-CG1 4.31Å; Y195-Y307 CarbonylContact C-O 3.54Å; Y195-Y307 WeakPolarHBondContact CA-O 3.39Å; Y195-Y308 HydrophobicContact CD1-CD2 4.12Å; Y195-Y308 HydrophobicContact CD1-CG 4.45Å; Y195-Y308 HydrophobicContact CD2-CD2 4.06Å; Y195-Y308 AromaticContact CE1-CD2 3.67Å; Y195-Y308 HydrophobicContact CE1-CD2 3.67Å; Y195-Y308 AromaticContact CE1-CG 3.98Å; Y195-Y308 HydrophobicContact CE1-CG 3.98Å; Y195-Y308 AromaticContact CE2-CD2 3.61Å; Y195-Y308 HydrophobicContact CE2-CD2 3.61Å; Y195-Y308 HydrophobicContact CE2-CE2 4.04Å; Y195-Y308 HydrophobicContact CG-CD2 4.31Å; Y195-Y308 AromaticContact CZ-CD2 3.39Å; Y195-Y308 AromaticContact CZ-CE2 4Å
196	I	98.7	Very high	97.5	Very high	2 Å²	2	15 Å²	15	1%	0.01	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	115.4	171.8	-49.7	-62.4	0	0	0	108	V186 A187 L194 A204 L222 T223 V306 Y307 L318	V186-I196 CarbonylContact O-C 3.44Å; V186-I196 WeakPolarHBondContact O-CA 3.33Å; A187-I196 HydrophobicContact CB-CD1 3.73Å; L194-I196 HydrophobicContact CD1-CD1 3.83Å; L194-I196 HydrophobicContact CD2-CD1 4.33Å; L194-I196 HydrophobicContact CG-CD1 4.08Å; I196-A204 HydrophobicContact CD1-CB 4.1Å; I196-A204 HydrophobicContact CG1-CB 4.23Å; I196-A204 HydrophobicContact CG2-CB 3.97Å; I196-L222 HydrophobicContact CD1-CD1 4.37Å; I196-L222 HydrophobicContact CG1-CB 4.17Å; I196-L222 HydrophobicContact CG1-CD1 4.02Å; I196-T223 HydrophobicContact CB-CG2 4.15Å; I196-T223 HydrophobicContact CG2-CG2 3.38Å; I196-V306 CarbonylContact O-C 3.44Å; I196-V306 WeakPolarHBondContact O-CA 3.3Å; I196-Y307 PolarHBondContact N-O 3.07Å; I196-Y307 PolarHBondContact O-N 3.2Å; I196-L318 HydrophobicContact CD1-CD2 3.89Å
197	A	98.7	Very high	97.5	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	110.2	169.4	0	0	0	0	0	108.7	F147 F151 C185 V186 P304 V306	F147-A197 HydrophobicContact CD2-CB 4.15Å; F151-A197 HydrophobicContact CE2-CB 3.69Å; F151-A197 HydrophobicContact CZ-CB 3.69Å; C185-A197 WeakPolarHBondContact CA-O 3.48Å; V186-A197 HydrophobicContact CB-CB 4.5Å; V186-A197 PolarHBondContact N-O 3.15Å; V186-A197 PolarHBondContact O-N 2.75Å; A197-P304 HydrophobicContact CB-CB 4.43Å; A197-V306 HydrophobicContact CB-CG2 4.33Å
198	Q	98.5	Very high	97.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.8	-175.4	177.8	64.7	22.8	0	0	110.4	C185 G200 S202 T223 H226 P304 S305 Y307	C185-Q198 PolarHBondContact SG-OE1 3.1Å; Q198-G200 PolarHBondContact NE2-O 3.47Å; Q198-S202 PolarHBondContact NE2-O 3.4Å; Q198-S202 PolarHBondContact OE1-O 2.92Å; Q198-T223 HydrophobicContact CB-CG2 4.06Å; Q198-T223 HydrophobicContact CG-CG2 4.28Å; Q198-H226 PolarHBondContact O-CE1 3.02Å; Q198-P304 CarbonylContact O-C 3.38Å; Q198-P304 WeakPolarHBondContact O-CA 3.47Å; Q198-P304 VanDerWaalsContact O-CB 3.26Å; Q198-P304 WeakPolarHBondContact O-CB 3.15Å; Q198-S305 PolarHBondContact N-O 2.85Å; Q198-S305 PolarHBondContact O-N 2.95Å; Q198-Y307 HydrophobicContact CB-CD2 4.42Å; Q198-Y307 HydrophobicContact CB-CE2 3.91Å
199	L	98.7	Very high	97.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	102.9	171.7	-171.3	84.2	0	0	0	108.9	F151 C183 A184 R263 F265 S302 E303	F151-L199 HydrophobicContact CD1-CB 4.25Å; F151-L199 HydrophobicContact CD1-CD2 4.16Å; F151-L199 HydrophobicContact CE1-CB 3.84Å; F151-L199 HydrophobicContact CE1-CD2 4.33Å; C183-L199 CarbonylContact C-O 3.59Å; C183-L199 WeakPolarHBondContact CA-O 3.35Å; C183-L199 VanDerWaalsContact CB-O 3.32Å; C183-L199 WeakPolarHBondContact CB-O 3.37Å; A184-L199 HydrophobicContact CB-CB 4.38Å; A184-L199 PolarHBondContact N-O 3.45Å; A184-L199 PolarHBondContact O-N 2.92Å; L199-R263 HydrophobicContact CD1-CB 3.55Å; L199-R263 HydrophobicContact CG-CB 4.09Å; L199-F265 HydrophobicContact CD2-CD2 3.31Å; L199-F265 HydrophobicContact CD2-CE2 3.48Å; L199-F265 VanDerWaalsContact CD2-CE2 3.48Å; L199-F265 HydrophobicContact CD2-CG 4.04Å; L199-F265 HydrophobicContact CD2-CZ 4.32Å; L199-S302 VanDerWaalsContact CD1-C 3.46Å; L199-S302 WeakPolarHBondContact CD1-O 3.23Å; L199-E303 WeakPolarHBondContact CD1-O 3.39Å
200	G	98.4	Very high	96.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	106.7	-145.6	-179.6	0	0	0	0	0	111.5	Q198 H226	Q198-G200 PolarHBondContact NE2-O 3.47Å; G200-H226 PolarHBondContact N-ND1 3.01Å; G200-H226 VanDerWaalsContact N-ND1 3.18Å; G200-H226 PolarHBondContact O-N 3.02Å
201	D	97.6	Very high	96	Very high	13 Å²	13	17.4 Å²	17.4	7%	0.07	9%	0.089	C	C	.	.	S	Bend	trans	-118.8	3.1	-163.4	43.9	9.9	0	0	0	115	C183 E225 T227	C183-D201 PolarHBondContact SG-OD1 2.89Å; D201-E225 HydrophobicContact CB-CB 4.35Å; D201-T227 HydrophobicContact CB-CG2 3.73Å
202	S	98	Very high	94.9	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.			trans	-61.5	165.5	160.2	-60.5	0	0	0	0	111.4	Q198 A321	Q198-S202 PolarHBondContact NE2-O 3.4Å; Q198-S202 PolarHBondContact OE1-O 2.92Å; S202-A321 WeakPolarHBondContact CA-O 3.29Å; S202-A321 WeakPolarHBondContact CB-O 3.24Å
203	A	98.5	Very high	93.8	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	157.4	179.5	0	0	0	0	0	115.1	L320 A321 W326	A203-L320 WeakPolarHBondContact O-CA 3.25Å; A203-A321 PolarHBondContact N-O 2.9Å; A203-A321 PolarHBondContact O-N 2.94Å; A203-W326 HydrophobicContact CB-CG 4.34Å; A203-W326 PolarHBondContact O-NE1 2.79Å
204	A	98.8	Very high	92.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.3	176.5	0	0	0	0	0	111.6	I196 L222 T223 L318 V319 L320	I196-A204 HydrophobicContact CD1-CB 4.1Å; I196-A204 HydrophobicContact CG1-CB 4.23Å; I196-A204 HydrophobicContact CG2-CB 3.97Å; A204-L222 PolarHBondContact O-N 2.89Å; A204-T223 HydrophobicContact CB-CG2 4.01Å; A204-T223 PolarHBondContact N-OG1 2.64Å; A204-L318 HydrophobicContact CB-CD1 4.27Å; A204-V319 CarbonylContact C-O 3.6Å; A204-V319 WeakPolarHBondContact CA-O 3.14Å; A204-L320 HydrophobicContact CB-CD1 4.06Å
205	I	98.8	Very high	91.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122	-178.4	-54.1	-56.8	0	0	0	110.1	A219 K221 V319 W326 P331 V335	I205-A219 HydrophobicContact CG2-CB 3.8Å; I205-K221 HydrophobicContact CD1-CB 3.57Å; I205-K221 HydrophobicContact CD1-CD 4.14Å; I205-K221 HydrophobicContact CD1-CG 3.57Å; I205-V319 PolarHBondContact N-O 3.49Å; I205-V319 PolarHBondContact O-N 2.9Å; I205-W326 HydrophobicContact CB-CH2 3.81Å; I205-W326 HydrophobicContact CB-CZ2 4.27Å; I205-W326 HydrophobicContact CG1-CE3 4.45Å; I205-W326 HydrophobicContact CG1-CH2 3.23Å; I205-W326 HydrophobicContact CG1-CZ2 3.58Å; I205-W326 HydrophobicContact CG1-CZ3 3.72Å; I205-P331 HydrophobicContact CD1-CB 4.08Å; I205-P331 HydrophobicContact CD1-CG 4.06Å; I205-P331 HydrophobicContact CG1-CB 4.13Å; I205-P331 HydrophobicContact CG1-CG 4.37Å; I205-P331 HydrophobicContact CG2-CB 4.06Å; I205-V335 HydrophobicContact CG2-CG2 4.01Å
206	L	98.6	Very high	91.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	126.9	175.8	-169.5	73	0	0	0	110.6	L194 V208 R220 L222 Y309 L311 D315 F317 L318 F429	L194-L206 HydrophobicContact CD2-CD1 4.5Å; L206-V208 HydrophobicContact CD2-CG2 4.09Å; L206-V208 HydrophobicContact CG-CG2 4.18Å; L206-R220 HydrophobicContact CB-CB 4.26Å; L206-R220 PolarHBondContact N-O 2.83Å; L206-R220 PolarHBondContact O-N 2.76Å; L206-L222 HydrophobicContact CB-CD1 4.12Å; L206-L222 HydrophobicContact CB-CD2 4.3Å; L206-L222 HydrophobicContact CB-CG 4.17Å; L206-Y309 HydrophobicContact CD2-CD1 3.97Å; L206-Y309 HydrophobicContact CD2-CE1 3.4Å; L206-Y309 VanDerWaalsContact CD2-CE1 3.4Å; L206-Y309 HydrophobicContact CD2-CE2 4.4Å; L206-L311 HydrophobicContact CD1-CD2 4.1Å; L206-D315 HydrophobicContact CD1-CB 4.29Å; L206-D315 HydrophobicContact CD2-CB 4.07Å; L206-D315 VanDerWaalsContact CD2-OD1 3.26Å; L206-D315 WeakPolarHBondContact CD2-OD1 3.33Å; L206-D315 HydrophobicContact CG-CB 4.37Å; L206-F317 WeakPolarHBondContact CD1-O 3.38Å; L206-L318 HydrophobicContact CB-CD1 4.29Å; L206-L318 HydrophobicContact CD1-CB 4.35Å; L206-L318 HydrophobicContact CD1-CD1 4.15Å; L206-F429 HydrophobicContact CD1-CD2 4.47Å; L206-F429 HydrophobicContact CD1-CE2 3.85Å
207	G	98	Very high	91.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	107.4	172.4	0	0	0	0	0	111	K316 F317	G207-K316 PolarHBondContact O-N 3.02Å; G207-F317 PolarHBondContact N-O 2.95Å
208	V	96.5	Very high	91	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.2	-178.6	-169.4	0	0	0	0	109.4	L206 D210 W217 T218 R220 N314 D315	L206-V208 HydrophobicContact CD2-CG2 4.09Å; L206-V208 HydrophobicContact CG-CG2 4.18Å; V208-D210 WeakPolarHBondContact CG1-OD1 3.32Å; V208-W217 CarbonylContact O-C 3.59Å; V208-W217 VanDerWaalsContact O-CA 3.29Å; V208-W217 WeakPolarHBondContact O-CA 3.29Å; V208-T218 PolarHBondContact N-O 3.46Å; V208-T218 PolarHBondContact O-N 2.98Å; V208-R220 HydrophobicContact CG2-CB 4.19Å; V208-N314 HydrophobicContact CG1-CB 3.89Å; V208-D315 WeakPolarHBondContact CG2-OD1 3.45Å
209	N	94.2	Very high	91	Very high	13 Å²	13	35 Å²	35	7%	0.07	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	106.7	172	-169.4	-90.8	0	0	0	109	D211 G214 W217 N314 K316	N209-D211 PolarHBondContact OD1-O 3.48Å; N209-G214 VanDerWaalsContact ND2-CA 3.33Å; N209-G214 WeakPolarHBondContact ND2-CA 3.39Å; N209-G214 PolarHBondContact ND2-O 3.47Å; N209-G214 WeakPolarHBondContact OD1-CA 3.5Å; N209-W217 HydrophobicContact CB-CD2 4.4Å; N209-W217 HydrophobicContact CB-CE3 4.15Å; N209-W217 HydrophobicContact CB-CH2 4.03Å; N209-W217 HydrophobicContact CB-CZ2 4.24Å; N209-W217 HydrophobicContact CB-CZ3 3.95Å; N209-W217 WeakPolarHBondContact ND2-CZ2 3.46Å; N209-W217 PolarHBondContact ND2-NE1 3.44Å; N209-N314 PolarHBondContact N-O 3.07Å; N209-N314 VanDerWaalsContact O-CB 3.27Å; N209-N314 WeakPolarHBondContact O-CB 3.31Å; N209-K316 HydrophobicContact CB-CG 3.86Å
210	D	85.2	Confident	91	Very high	71 Å²	71	39.7 Å²	39.7	38%	0.38	23%	0.227	S	C	.	.			trans	-88.4	-8.7	-167.5	-71.6	-40.3	0	0	0	114.3	V208 V216 T218	V208-D210 WeakPolarHBondContact CG1-OD1 3.32Å; D210-V216 HydrophobicContact CB-CB 4.45Å; D210-V216 HydrophobicContact CB-CG1 4.15Å; D210-V216 PolarHBondContact N-O 3.4Å; D210-T218 WeakPolarHBondContact OD2-CB 3.47Å; D210-T218 PolarHBondContact OD2-OG1 3.02Å
211	D	79.3	Confident	91	Very high	37 Å²	37	44.4 Å²	44.4	20%	0.198	25%	0.248	C	C	.	.	S	Bend	trans	-129.4	148.2	-178.4	73.8	-19.4	0	0	0	113.2	N209 N213 G214 V215 V216	N209-D211 PolarHBondContact OD1-O 3.48Å; D211-N213 PolarHBondContact O-N 3.43Å; D211-G214 PolarHBondContact O-N 3.13Å; D211-G214 PolarHBondContact OD1-N 3.21Å; D211-G214 VanDerWaalsContact OD1-N 3.1Å; D211-V215 PolarHBondContact OD1-N 3.41Å; D211-V216 HydrophobicContact CB-CB 4.32Å; D211-V216 HydrophobicContact CB-CG2 4.38Å; D211-V216 PolarHBondContact OD1-N 2.94Å
212	S	70.4	Confident	91	Very high	124 Å²	124	44.7 Å²	44.7	87%	0.867	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-17	179.1	56.2	0	0	0	0	113.5
213	N	70.9	Confident	91	Very high	132 Å²	132	44.7 Å²	44.7	71%	0.706	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-9.5	-179.6	-63.1	-20.1	0	0	0	113.3	D211 V215	D211-N213 PolarHBondContact O-N 3.43Å; N213-V215 VanDerWaalsContact C-N 3.33Å; N213-V215 HydrophobicContact CB-CG2 4.08Å; N213-V215 PolarHBondContact O-N 2.86Å
214	G	73	Confident	90.9	Very high	28 Å²	28	49.6 Å²	49.6	29%	0.289	27%	0.272	S	S	.	.	S	Bend	trans	78.4	13.5	177.2	0	0	0	0	0	114.9	N209 D211 W217	N209-G214 VanDerWaalsContact ND2-CA 3.33Å; N209-G214 WeakPolarHBondContact ND2-CA 3.39Å; N209-G214 PolarHBondContact ND2-O 3.47Å; N209-G214 WeakPolarHBondContact OD1-CA 3.5Å; D211-G214 PolarHBondContact O-N 3.13Å; D211-G214 PolarHBondContact OD1-N 3.21Å; D211-G214 VanDerWaalsContact OD1-N 3.1Å; G214-W217 PolarHBondContact O-NE1 2.87Å
215	V	78.5	Confident	90.9	Very high	109 Å²	109	51.8 Å²	51.8	66%	0.661	28%	0.282	S	S	*	.			trans	-97.1	-39.2	-170.8	-177	0	0	0	0	111.7	D211 N213	D211-V215 PolarHBondContact OD1-N 3.41Å; N213-V215 VanDerWaalsContact C-N 3.33Å; N213-V215 HydrophobicContact CB-CG2 4.08Å; N213-V215 PolarHBondContact O-N 2.86Å
216	V	89.5	Confident	90.8	Very high	73 Å²	73	51.7 Å²	51.7	44%	0.442	28%	0.282	S	S	.	.			trans	-92.6	120.7	-175.9	-176.3	0	0	0	0	109.4	D210 D211	D210-V216 HydrophobicContact CB-CB 4.45Å; D210-V216 HydrophobicContact CB-CG1 4.15Å; D210-V216 PolarHBondContact N-O 3.4Å; D211-V216 HydrophobicContact CB-CB 4.32Å; D211-V216 HydrophobicContact CB-CG2 4.38Å; D211-V216 PolarHBondContact OD1-N 2.94Å
217	W	94.5	Very high	90.8	Very high	59 Å²	59	52.4 Å²	52.4	22%	0.223	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.6	179.6	-70.5	84.8	0	0	0	110.2	V208 N209 G214 K316 F317 V335 S339 M342	V208-W217 CarbonylContact O-C 3.59Å; V208-W217 VanDerWaalsContact O-CA 3.29Å; V208-W217 WeakPolarHBondContact O-CA 3.29Å; N209-W217 HydrophobicContact CB-CD2 4.4Å; N209-W217 HydrophobicContact CB-CE3 4.15Å; N209-W217 HydrophobicContact CB-CH2 4.03Å; N209-W217 HydrophobicContact CB-CZ2 4.24Å; N209-W217 HydrophobicContact CB-CZ3 3.95Å; N209-W217 WeakPolarHBondContact ND2-CZ2 3.46Å; N209-W217 PolarHBondContact ND2-NE1 3.44Å; G214-W217 PolarHBondContact O-NE1 2.87Å; W217-K316 HydrophobicContact CH2-CB 3.86Å; W217-K316 HydrophobicContact CH2-CG 3.64Å; W217-K316 HydrophobicContact CZ3-CB 3.82Å; W217-K316 HydrophobicContact CZ3-CG 3.76Å; W217-F317 HydrophobicContact CE3-CE1 4.01Å; W217-F317 HydrophobicContact CE3-CZ 4.44Å; W217-F317 AromaticContact CH2-CE1 3.98Å; W217-F317 HydrophobicContact CH2-CE1 3.98Å; W217-F317 HydrophobicContact CZ3-CD1 4.09Å; W217-F317 AromaticContact CZ3-CE1 3.4Å; W217-F317 HydrophobicContact CZ3-CE1 3.4Å; W217-F317 HydrophobicContact CZ3-CZ 4.24Å; W217-V335 HydrophobicContact CB-CG1 3.84Å; W217-V335 HydrophobicContact CE3-CG1 4.13Å; W217-S339 VanDerWaalsContact CD2-CB 3.45Å; W217-S339 VanDerWaalsContact CZ2-CB 3.45Å; W217-M342 HydrophobicContact CH2-SD 4.37Å
218	T	96.1	Very high	90.7	Very high	57 Å²	57	54.2 Å²	54.2	35%	0.35	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.4	175.5	-66.9	0	0	0	0	110.3	V208 D210	V208-T218 PolarHBondContact N-O 3.46Å; V208-T218 PolarHBondContact O-N 2.98Å; D210-T218 WeakPolarHBondContact OD2-CB 3.47Å; D210-T218 PolarHBondContact OD2-OG1 3.02Å
219	A	97.8	Very high	90.7	Very high	15 Å²	15	60.8 Å²	60.8	12%	0.124	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	112	168.6	0	0	0	0	0	109.7	I205 P331 E332 V335	I205-A219 HydrophobicContact CG2-CB 3.8Å; A219-P331 HydrophobicContact CB-CB 3.79Å; A219-P331 WeakPolarHBondContact CB-O 3.44Å; A219-E332 HydrophobicContact CB-CG 4.27Å; A219-V335 HydrophobicContact CB-CB 4.18Å; A219-V335 HydrophobicContact CB-CG2 3.63Å
220	R	97.8	Very high	90.8	Very high	97 Å²	97	61.3 Å²	61.3	37%	0.366	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	105	176.6	-178.6	174.3	-63.5	167.8	4.2	109.6	L206 V208 L222 Y309	L206-R220 HydrophobicContact CB-CB 4.26Å; L206-R220 PolarHBondContact N-O 2.83Å; L206-R220 PolarHBondContact O-N 2.76Å; V208-R220 HydrophobicContact CG2-CB 4.19Å; R220-L222 HydrophobicContact CG-CD2 4.08Å; R220-L222 PolarHBondContact O-N 2.98Å; R220-Y309 PolarHBondContact NH1-OH 3.3Å
221	K	98.1	Very high	91.3	Very high	99 Å²	99	63.1 Å²	63.1	43%	0.43	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	125.9	173.5	-174.2	167.3	-176.9	176.4	0	110.5	I205 T223 E225	I205-K221 HydrophobicContact CD1-CB 3.57Å; I205-K221 HydrophobicContact CD1-CD 4.14Å; I205-K221 HydrophobicContact CD1-CG 3.57Å; K221-T223 WeakPolarHBondContact CE-O 3.49Å; K221-T223 VanDerWaalsContact CG-O 3.31Å; K221-T223 WeakPolarHBondContact CG-O 3.47Å; K221-E225 WeakPolarHBondContact CE-OE1 3.34Å; K221-E225 VanDerWaalsContact CE-OE2 3.26Å; K221-E225 WeakPolarHBondContact CE-OE2 3.37Å; K221-E225 IonicContact NZ-OE1 2.66Å; K221-E225 PolarHBondContact NZ-OE1 3.47Å; K221-E225 IonicContact NZ-OE2 2.6Å; K221-E225 PolarHBondContact NZ-OE2 2.95Å
222	L	98.2	Very high	92.2	Very high	19 Å²	19	66.4 Å²	66.4	10%	0.099	36%	0.362	C	S	.	.			trans	-101.4	-9.9	-176.6	-60.4	-174	0	0	0	113.5	L194 I196 A204 L206 R220 Y307 Y309 L318	L194-L222 HydrophobicContact CD2-CD1 3.63Å; I196-L222 HydrophobicContact CD1-CD1 4.37Å; I196-L222 HydrophobicContact CG1-CB 4.17Å; I196-L222 HydrophobicContact CG1-CD1 4.02Å; A204-L222 PolarHBondContact O-N 2.89Å; L206-L222 HydrophobicContact CB-CD1 4.12Å; L206-L222 HydrophobicContact CB-CD2 4.3Å; L206-L222 HydrophobicContact CB-CG 4.17Å; R220-L222 HydrophobicContact CG-CD2 4.08Å; R220-L222 PolarHBondContact O-N 2.98Å; L222-Y307 WeakPolarHBondContact O-CD2 3.49Å; L222-Y309 HydrophobicContact CD2-CD2 4.2Å; L222-Y309 HydrophobicContact CD2-CG 4.35Å; L222-L318 HydrophobicContact CD1-CD1 3.73Å
223	T	98	Very high	93.5	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.006	32%	0.322	C	S	.	.			trans	-127	157.2	-173.6	52.9	0	0	0	0	111.3	I196 Q198 A204 K221 Y307	I196-T223 HydrophobicContact CB-CG2 4.15Å; I196-T223 HydrophobicContact CG2-CG2 3.38Å; Q198-T223 HydrophobicContact CB-CG2 4.06Å; Q198-T223 HydrophobicContact CG-CG2 4.28Å; A204-T223 HydrophobicContact CB-CG2 4.01Å; A204-T223 PolarHBondContact N-OG1 2.64Å; K221-T223 WeakPolarHBondContact CE-O 3.49Å; K221-T223 VanDerWaalsContact CG-O 3.31Å; K221-T223 WeakPolarHBondContact CG-O 3.47Å; T223-Y307 HydrophobicContact CG2-CD2 4.1Å; T223-Y307 HydrophobicContact CG2-CE2 4.2Å
224	H	97.1	Very high	94.7	Very high	104 Å²	104	55.2 Å²	55.2	48%	0.481	29%	0.293	S	S	.	.			trans	-111.3	131.7	161.4	-66.9	-94.8	0	0	0	107.8	Y307	H224-Y307 PolarHBondContact N-OH 2.89Å
225	E	97.6	Very high	95.9	Very high	45 Å²	45	59.9 Å²	59.9	21%	0.21	31%	0.305	C	S	.	.			trans	-67.6	136.3	175.2	-63.2	80.2	-177.7	0	0	109.4	D201 K221 T227 D230	D201-E225 HydrophobicContact CB-CB 4.35Å; K221-E225 WeakPolarHBondContact CE-OE1 3.34Å; K221-E225 VanDerWaalsContact CE-OE2 3.26Å; K221-E225 WeakPolarHBondContact CE-OE2 3.37Å; K221-E225 IonicContact NZ-OE1 2.66Å; K221-E225 PolarHBondContact NZ-OE1 3.47Å; K221-E225 IonicContact NZ-OE2 2.6Å; K221-E225 PolarHBondContact NZ-OE2 2.95Å; E225-T227 HydrophobicContact CB-CG2 4.14Å; E225-T227 PolarHBondContact O-N 2.99Å; E225-D230 WeakPolarHBondContact O-CB 3.32Å
226	H	98.3	Very high	96.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.283	C	S	.	.			trans	-86	66.8	177.6	-56.6	153.8	0	0	0	110.1	Q198 G200 E233 L262 R263 S305	Q198-H226 PolarHBondContact O-CE1 3.02Å; G200-H226 PolarHBondContact N-ND1 3.01Å; G200-H226 VanDerWaalsContact N-ND1 3.18Å; G200-H226 PolarHBondContact O-N 3.02Å; H226-E233 HydrophobicContact CB-CG 4.13Å; H226-E233 IonicContact CG-OE2 3.37Å; H226-L262 HydrophobicContact CB-CB 4.48Å; H226-L262 VanDerWaalsContact O-CB 3.29Å; H226-L262 WeakPolarHBondContact O-CB 3.32Å; H226-L262 WeakPolarHBondContact O-CG 3.39Å; H226-L262 PolarHBondContact O-N 3.42Å; H226-R263 HydrophobicContact CB-CB 4.4Å; H226-R263 HydrophobicContact CB-CG 4.08Å; H226-R263 WeakPolarHBondContact ND1-CD 3.23Å; H226-S305 WeakPolarHBondContact NE2-CB 3.49Å; H226-S305 PolarHBondContact NE2-OG 3.3Å
227	T	97.3	Very high	97.2	Very high	14 Å²	14	53.6 Å²	53.6	9%	0.086	26%	0.262	C	S	.	.	S	Bend	trans	-117.7	179	176.1	71.1	0	0	0	0	110.4	D201 E225 D229 D230 V260 L262	D201-T227 HydrophobicContact CB-CG2 3.73Å; E225-T227 HydrophobicContact CB-CG2 4.14Å; E225-T227 PolarHBondContact O-N 2.99Å; T227-D229 PolarHBondContact O-N 2.79Å; T227-D229 VanDerWaalsContact O-N 3.16Å; T227-D229 PolarHBondContact OG1-N 3.21Å; T227-D229 PolarHBondContact OG1-OD2 2.56Å; T227-D230 PolarHBondContact O-N 3.5Å; T227-V260 HydrophobicContact CG2-CG1 4.23Å; T227-L262 VanDerWaalsContact O-CD1 3.25Å; T227-L262 WeakPolarHBondContact O-CD1 3.12Å
228	V	96.6	Very high	97.3	Very high	38 Å²	38	55.7 Å²	55.7	23%	0.23	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-11.6	173.5	-64.4	0	0	0	0	113.8	D230 V234 F250 G253 L262	V228-D230 VanDerWaalsContact C-N 3.34Å; V228-V234 WeakPolarHBondContact O-CG2 3.29Å; V228-F250 HydrophobicContact CG1-CD1 3.76Å; V228-F250 HydrophobicContact CG1-CE1 4.08Å; V228-F250 HydrophobicContact CG1-CG 4.42Å; V228-G253 WeakPolarHBondContact CG1-O 3.35Å; V228-G253 WeakPolarHBondContact CG2-O 3.39Å; V228-L262 HydrophobicContact CG1-CD1 4.3Å; V228-L262 HydrophobicContact CG1-CD2 4.32Å
229	D	95.5	Very high	97.4	Very high	142 Å²	142	57.1 Å²	57.1	76%	0.759	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.7	176.7	-55.1	-53.5	0	0	0	112.3	T227	T227-D229 PolarHBondContact O-N 2.79Å; T227-D229 VanDerWaalsContact O-N 3.16Å; T227-D229 PolarHBondContact OG1-N 3.21Å; T227-D229 PolarHBondContact OG1-OD2 2.56Å
230	D	96.6	Very high	97.3	Very high	23 Å²	23	61.2 Å²	61.2	12%	0.123	30%	0.304	C	S	.	.			trans	-89.3	104.7	169.8	-174.1	-6	0	0	0	110.8	E225 T227 V228 N232 E233 V234	E225-D230 WeakPolarHBondContact O-CB 3.32Å; T227-D230 PolarHBondContact O-N 3.5Å; V228-D230 VanDerWaalsContact C-N 3.34Å; D230-N232 PolarHBondContact O-N 3.35Å; D230-N232 VanDerWaalsContact O-N 3.08Å; D230-N232 WeakPolarHBondContact OD1-CB 3.41Å; D230-N232 PolarHBondContact OD1-N 3.07Å; D230-N232 PolarHBondContact OD1-ND2 3.45Å; D230-E233 HydrophobicContact CB-CB 4.2Å; D230-E233 HydrophobicContact CB-CG 4.24Å; D230-E233 PolarHBondContact O-N 3.45Å; D230-V234 PolarHBondContact O-N 3.09Å
231	D	97	Very high	97.3	Very high	109 Å²	109	57.3 Å²	57.3	58%	0.583	29%	0.29	S	S	*	.	H	α-helix	trans	-51.3	-32.1	175.5	-83.6	-14.6	0	0	0	113.6	K235	D231-K235 WeakPolarHBondContact O-CB 3.29Å; D231-K235 WeakPolarHBondContact O-CD 3.38Å; D231-K235 WeakPolarHBondContact O-CG 3.29Å; D231-K235 PolarHBondContact O-N 2.94Å
232	N	97.1	Very high	97.3	Very high	107 Å²	107	55.6 Å²	55.6	57%	0.572	29%	0.288	S	S	*	.	H	α-helix	trans	-72.8	-39.3	179.7	-59.4	-60.3	0	0	0	111.4	D230 K235 R236	D230-N232 PolarHBondContact O-N 3.35Å; D230-N232 VanDerWaalsContact O-N 3.08Å; D230-N232 WeakPolarHBondContact OD1-CB 3.41Å; D230-N232 PolarHBondContact OD1-N 3.07Å; D230-N232 PolarHBondContact OD1-ND2 3.45Å; N232-K235 PolarHBondContact O-N 3.07Å; N232-R236 VanDerWaalsContact O-CB 3.3Å; N232-R236 WeakPolarHBondContact O-CB 3.3Å; N232-R236 PolarHBondContact O-N 3.13Å
233	E	97.8	Very high	97.2	Very high	5 Å²	5	62.6 Å²	62.6	2%	0.023	32%	0.318	C	S	.	.	H	α-helix	trans	-67.2	-41.4	175.2	-77.5	-63.1	92.8	0	0	111.7	H226 D230 K235 R236 I237 L262 R263	H226-E233 HydrophobicContact CB-CG 4.13Å; H226-E233 IonicContact CG-OE2 3.37Å; D230-E233 HydrophobicContact CB-CB 4.2Å; D230-E233 HydrophobicContact CB-CG 4.24Å; D230-E233 PolarHBondContact O-N 3.45Å; E233-K235 PolarHBondContact O-N 3.07Å; E233-R236 PolarHBondContact O-N 3.47Å; E233-R236 IonicContact OE1-CZ 2.56Å; E233-R236 IonicContact OE1-NE 3.05Å; E233-R236 PolarHBondContact OE1-NE 2.92Å; E233-R236 IonicContact OE1-NH2 3.7Å; E233-R236 IonicContact OE2-CZ 2.62Å; E233-R236 IonicContact OE2-NE 2.82Å; E233-R236 PolarHBondContact OE2-NE 3.1Å; E233-R236 IonicContact OE2-NH2 3.95Å; E233-R236 PolarHBondContact OE2-NH2 3.48Å; E233-I237 PolarHBondContact O-N 3.27Å; E233-L262 HydrophobicContact CB-CD1 3.91Å; E233-R263 VanDerWaalsContact CD-NE 3.34Å; E233-R263 IonicContact OE1-CZ 3.45Å; E233-R263 IonicContact OE1-NE 3.78Å; E233-R263 PolarHBondContact OE1-NE 3.49Å; E233-R263 IonicContact OE1-NH2 3.77Å; E233-R263 PolarHBondContact OE1-NH2 2.96Å; E233-R263 WeakPolarHBondContact OE2-CG 3.36Å; E233-R263 IonicContact OE2-CZ 2.64Å; E233-R263 IonicContact OE2-NE 3.57Å; E233-R263 PolarHBondContact OE2-NE 3.49Å; E233-R263 IonicContact OE2-NH2 2.67Å
234	V	97.3	Very high	97.1	Very high	15 Å²	15	67.4 Å²	67.4	9%	0.091	35%	0.352	C	S	.	.	H	α-helix	trans	-60.7	-46.3	175.3	172.6	0	0	0	0	110.9	V228 D230 R238 F250	V228-V234 WeakPolarHBondContact O-CG2 3.29Å; D230-V234 PolarHBondContact O-N 3.09Å; V234-R238 WeakPolarHBondContact O-CB 3.41Å; V234-R238 WeakPolarHBondContact O-CG 3.28Å; V234-R238 PolarHBondContact O-N 2.6Å; V234-F250 HydrophobicContact CB-CE2 4.1Å; V234-F250 HydrophobicContact CB-CZ 4.49Å; V234-F250 HydrophobicContact CG1-CD2 4.17Å; V234-F250 HydrophobicContact CG1-CE2 3.77Å; V234-F250 HydrophobicContact CG2-CE2 4.17Å; V234-F250 HydrophobicContact CG2-CZ 4.28Å
235	K	97.1	Very high	97.1	Very high	127 Å²	127	62.7 Å²	62.7	55%	0.552	33%	0.33	S	S	*	.	H	α-helix	trans	-63.5	-42.1	176.4	-74.9	167.2	-170.4	162.6	0	111.9	D231 N232 E233 A239	D231-K235 WeakPolarHBondContact O-CB 3.29Å; D231-K235 WeakPolarHBondContact O-CD 3.38Å; D231-K235 WeakPolarHBondContact O-CG 3.29Å; D231-K235 PolarHBondContact O-N 2.94Å; N232-K235 PolarHBondContact O-N 3.07Å; E233-K235 PolarHBondContact O-N 3.07Å; K235-A239 WeakPolarHBondContact O-CB 3.37Å; K235-A239 PolarHBondContact O-N 3.43Å; K235-A239 VanDerWaalsContact O-N 3.07Å
236	R	97.6	Very high	96.9	Very high	50 Å²	50	63 Å²	63	19%	0.189	33%	0.332	C	S	.	.	H	α-helix	trans	-58.1	-55.8	178.1	-179.4	-174	64.8	74	0.7	110.7	N232 E233 R238 A239 E240	N232-R236 VanDerWaalsContact O-CB 3.3Å; N232-R236 WeakPolarHBondContact O-CB 3.3Å; N232-R236 PolarHBondContact O-N 3.13Å; E233-R236 PolarHBondContact O-N 3.47Å; E233-R236 IonicContact OE1-CZ 2.56Å; E233-R236 IonicContact OE1-NE 3.05Å; E233-R236 PolarHBondContact OE1-NE 2.92Å; E233-R236 IonicContact OE1-NH2 3.7Å; E233-R236 IonicContact OE2-CZ 2.62Å; E233-R236 IonicContact OE2-NE 2.82Å; E233-R236 PolarHBondContact OE2-NE 3.1Å; E233-R236 IonicContact OE2-NH2 3.95Å; E233-R236 PolarHBondContact OE2-NH2 3.48Å; R236-R238 PolarHBondContact O-N 3.31Å; R236-A239 PolarHBondContact O-N 2.56Å; R236-A239 VanDerWaalsContact O-N 3.12Å; R236-E240 VanDerWaalsContact CG-OE1 3.23Å; R236-E240 WeakPolarHBondContact CG-OE1 3.18Å; R236-E240 IonicContact CZ-OE1 3.77Å; R236-E240 IonicContact NH1-OE1 2.67Å; R236-E240 PolarHBondContact NH1-OE1 3.29Å; R236-E240 IonicContact NH1-OE2 3.65Å; R236-E240 PolarHBondContact NH1-OE2 3.09Å; R236-E240 WeakPolarHBondContact O-CG 3.42Å; R236-E240 PolarHBondContact O-N 3.23Å; R236-E240 VanDerWaalsContact O-N 3.11Å
237	I	97.5	Very high	96.7	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-63.7	-43.7	-177.1	-71.4	166.4	0	0	0	111.1	E233 A239 E240 H241 V249 F250 L255 L262	E233-I237 PolarHBondContact O-N 3.27Å; I237-A239 PolarHBondContact O-N 2.81Å; I237-E240 PolarHBondContact O-N 2.91Å; I237-E240 VanDerWaalsContact O-N 3.07Å; I237-H241 PolarHBondContact O-CD2 2.82Å; I237-H241 PolarHBondContact O-N 3.41Å; I237-V249 HydrophobicContact CG2-CB 4.19Å; I237-V249 HydrophobicContact CG2-CG1 4.47Å; I237-F250 HydrophobicContact CB-CE2 4.24Å; I237-F250 HydrophobicContact CB-CZ 3.75Å; I237-F250 HydrophobicContact CD1-CE1 4.09Å; I237-F250 HydrophobicContact CD1-CZ 3.76Å; I237-F250 HydrophobicContact CG1-CZ 4.34Å; I237-F250 HydrophobicContact CG2-CE1 4.42Å; I237-F250 HydrophobicContact CG2-CE2 4.17Å; I237-F250 HydrophobicContact CG2-CZ 3.76Å; I237-L255 HydrophobicContact CD1-CD1 4.34Å; I237-L255 HydrophobicContact CG2-CD1 4.29Å; I237-L262 HydrophobicContact CD1-CB 3.75Å; I237-L262 HydrophobicContact CD1-CD1 3.95Å; I237-L262 HydrophobicContact CD1-CD2 4.31Å; I237-L262 HydrophobicContact CD1-CG 4.21Å
238	R	97.1	Very high	96.6	Very high	103 Å²	103	72.5 Å²	72.5	39%	0.389	37%	0.371	S	S	.	.	H	α-helix	trans	-59.3	-32.7	176.1	-78	177.6	173.8	154.3	3.8	113.1	V234 R236 H241 V249 F250	V234-R238 WeakPolarHBondContact O-CB 3.41Å; V234-R238 WeakPolarHBondContact O-CG 3.28Å; V234-R238 PolarHBondContact O-N 2.6Å; R236-R238 PolarHBondContact O-N 3.31Å; R238-H241 VanDerWaalsContact O-O 3.13Å; R238-V249 HydrophobicContact CG-CG2 3.93Å; R238-F250 HydrophobicContact CG-CE2 4.26Å
239	A	97.2	Very high	96.6	Very high	86 Å²	86	70.8 Å²	70.8	71%	0.711	36%	0.36	S	S	*	.	H	α-helix	trans	-79.2	-20.2	177.6	0	0	0	0	0	113.7	K235 R236 I237 H241	K235-A239 WeakPolarHBondContact O-CB 3.37Å; K235-A239 PolarHBondContact O-N 3.43Å; K235-A239 VanDerWaalsContact O-N 3.07Å; R236-A239 PolarHBondContact O-N 2.56Å; R236-A239 VanDerWaalsContact O-N 3.12Å; I237-A239 PolarHBondContact O-N 2.81Å; A239-H241 VanDerWaalsContact C-N 3.34Å
240	E	97.3	Very high	96.7	Very high	101 Å²	101	65.3 Å²	65.3	47%	0.472	33%	0.33	S	S	.	.	H	α-helix	trans	-78.5	-18.1	176.9	-74	168.7	-174	0	0	112.7	R236 I237	R236-E240 VanDerWaalsContact CG-OE1 3.23Å; R236-E240 WeakPolarHBondContact CG-OE1 3.18Å; R236-E240 IonicContact CZ-OE1 3.77Å; R236-E240 IonicContact NH1-OE1 2.67Å; R236-E240 PolarHBondContact NH1-OE1 3.29Å; R236-E240 IonicContact NH1-OE2 3.65Å; R236-E240 PolarHBondContact NH1-OE2 3.09Å; R236-E240 WeakPolarHBondContact O-CG 3.42Å; R236-E240 PolarHBondContact O-N 3.23Å; R236-E240 VanDerWaalsContact O-N 3.11Å; I237-E240 PolarHBondContact O-N 2.91Å; I237-E240 VanDerWaalsContact O-N 3.07Å
241	H	97.7	Very high	96.6	Very high	16 Å²	16	69 Å²	69	7%	0.074	34%	0.342	C	S	.	.	S	Bend	trans	-116.5	156.8	-179	-60.7	-72.3	0	0	0	112.4	I237 R238 A239 E245 V249 T296 P298 Y299	I237-H241 PolarHBondContact O-CD2 2.82Å; I237-H241 PolarHBondContact O-N 3.41Å; R238-H241 VanDerWaalsContact O-O 3.13Å; A239-H241 VanDerWaalsContact C-N 3.34Å; H241-E245 HydrophobicContact CB-CB 4.32Å; H241-V249 HydrophobicContact CB-CG1 4.07Å; H241-T296 PolarHBondContact CE1-O 2.67Å; H241-T296 VanDerWaalsContact CE1-O 3.24Å; H241-T296 PolarHBondContact ND1-O 3.01Å; H241-T296 PolarHBondContact ND1-OG1 3.29Å; H241-P298 PolarHBondContact CE1-O 3.12Å; H241-P298 VanDerWaalsContact CE1-O 3.3Å; H241-Y299 AromaticContact CD2-CD1 3.85Å; H241-Y299 AromaticContact CE1-CD1 3.24Å; H241-Y299 WeakPolarHBondContact CE1-CD1 3.23Å; H241-Y299 AromaticContact CE1-CE1 3.42Å; H241-Y299 VanDerWaalsContact CE1-CE1 3.42Å; H241-Y299 WeakPolarHBondContact CE1-CE1 3.23Å; H241-Y299 AromaticContact CE1-CG 3.65Å; H241-Y299 AromaticContact CE1-CZ 3.99Å; H241-Y299 AromaticContact CG-CE1 3.98Å; H241-Y299 AromaticContact ND1-CD1 3.88Å; H241-Y299 AromaticContact ND1-CE1 3.58Å; H241-Y299 AromaticContact NE2-CD1 3.18Å; H241-Y299 WeakPolarHBondContact NE2-CD1 3.38Å; H241-Y299 AromaticContact NE2-CE1 3.69Å; H241-Y299 AromaticContact NE2-CG 3.77Å
242	P	97.6	Very high	96.5	Very high	62 Å²	62	74.6 Å²	74.6	40%	0.403	36%	0.355	S	S	.	.			trans	-57.4	148.7	174.9	-23.4	33.7	0	0	0	112.5	S244 E245 T296	P242-S244 PolarHBondContact O-N 3.24Å; P242-E245 WeakPolarHBondContact O-CB 3.24Å; P242-E245 PolarHBondContact O-N 2.51Å; P242-T296 HydrophobicContact CG-CG2 3.97Å
243	F	96.1	Very high	96.3	Very high	166 Å²	166	71.6 Å²	71.6	73%	0.728	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-53.6	-29.5	179.4	-177.4	-100.6	0	0	0	113.8	E245 E246	F243-E245 PolarHBondContact O-N 2.6Å; F243-E246 WeakPolarHBondContact CE2-OE2 3.45Å; F243-E246 WeakPolarHBondContact CZ-OE2 3.49Å; F243-E246 WeakPolarHBondContact O-CB 3.26Å; F243-E246 PolarHBondContact O-N 2.91Å; F243-E246 VanDerWaalsContact O-N 3.14Å
244	S	96.6	Very high	96.3	Very high	103 Å²	103	76.6 Å²	76.6	72%	0.72	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-58.8	-18.4	174.7	52	0	0	0	0	114.1	P242	P242-S244 PolarHBondContact O-N 3.24Å
245	E	97	Very high	96.3	Very high	4 Å²	4	75.9 Å²	75.9	2%	0.019	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-101.5	2.3	-178.6	-57.8	-169.6	-131.2	0	0	113.8	H241 P242 F243 Y247 T248 V249 F295 T296 Y299	H241-E245 HydrophobicContact CB-CB 4.32Å; P242-E245 WeakPolarHBondContact O-CB 3.24Å; P242-E245 PolarHBondContact O-N 2.51Å; F243-E245 PolarHBondContact O-N 2.6Å; E245-Y247 PolarHBondContact O-N 2.93Å; E245-T248 VanDerWaalsContact CA-OG1 3.24Å; E245-T248 WeakPolarHBondContact CA-OG1 3.48Å; E245-T248 WeakPolarHBondContact CB-OG1 3.48Å; E245-T248 PolarHBondContact O-N 3.19Å; E245-T248 PolarHBondContact O-OG1 3.37Å; E245-T248 VanDerWaalsContact O-OG1 3.1Å; E245-V249 HydrophobicContact CB-CG1 4Å; E245-V249 WeakPolarHBondContact O-CG1 3.4Å; E245-V249 WeakPolarHBondContact O-CG2 3.29Å; E245-V249 PolarHBondContact O-N 3.21Å; E245-F295 HydrophobicContact CG-CD2 4.1Å; E245-T296 WeakPolarHBondContact OE1-CB 3.2Å; E245-T296 VanDerWaalsContact OE1-CG2 3.26Å; E245-T296 WeakPolarHBondContact OE1-CG2 3.25Å; E245-T296 PolarHBondContact OE1-OG1 3.46Å; E245-Y299 WeakPolarHBondContact OE2-CE1 3.41Å; E245-Y299 PolarHBondContact OE2-OH 3.21Å
246	E	93.3	Very high	96.3	Very high	51 Å²	51	69.9 Å²	69.9	24%	0.238	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-35.6	-174	-177.2	178.2	-161.5	0	0	113.7	F243	F243-E246 WeakPolarHBondContact CE2-OE2 3.45Å; F243-E246 WeakPolarHBondContact CZ-OE2 3.49Å; F243-E246 WeakPolarHBondContact O-CB 3.26Å; F243-E246 PolarHBondContact O-N 2.91Å; F243-E246 VanDerWaalsContact O-N 3.14Å
247	Y	92.7	Very high	96.2	Very high	186 Å²	186	68.7 Å²	68.7	73%	0.729	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-7.5	179.8	-58.2	-78.1	0	0	0	114.1	E245	E245-Y247 PolarHBondContact O-N 2.93Å
248	T	96.2	Very high	96.1	Very high	29 Å²	29	72.2 Å²	72.2	18%	0.178	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-27.5	-178.3	56.3	0	0	0	0	113.1	E245 F250 N293	E245-T248 VanDerWaalsContact CA-OG1 3.24Å; E245-T248 WeakPolarHBondContact CA-OG1 3.48Å; E245-T248 WeakPolarHBondContact CB-OG1 3.48Å; E245-T248 PolarHBondContact O-N 3.19Å; E245-T248 PolarHBondContact O-OG1 3.37Å; E245-T248 VanDerWaalsContact O-OG1 3.1Å; T248-F250 PolarHBondContact O-N 2.75Å; T248-N293 HydrophobicContact CG2-CB 4.04Å
249	V	97	Very high	96.1	Very high	1 Å²	1	68 Å²	68	1%	0.006	34%	0.342	C	S	.	.	S	Bend	trans	-57.3	-35.9	175.3	-69.3	0	0	0	0	111.9	I237 R238 H241 E245 L256 Y299	I237-V249 HydrophobicContact CG2-CB 4.19Å; I237-V249 HydrophobicContact CG2-CG1 4.47Å; R238-V249 HydrophobicContact CG-CG2 3.93Å; H241-V249 HydrophobicContact CB-CG1 4.07Å; E245-V249 HydrophobicContact CB-CG1 4Å; E245-V249 WeakPolarHBondContact O-CG1 3.4Å; E245-V249 WeakPolarHBondContact O-CG2 3.29Å; E245-V249 PolarHBondContact O-N 3.21Å; V249-L256 PolarHBondContact O-N 3.02Å; V249-Y299 HydrophobicContact CG1-CD1 4.39Å; V249-Y299 HydrophobicContact CG1-CE1 4.14Å
250	F	96.8	Very high	96.1	Very high	28 Å²	28	66.1 Å²	66.1	12%	0.123	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.7	174.4	-60.5	-62.1	0	0	0	110.5	V228 V234 I237 R238 T248 R254 L255 L262	V228-F250 HydrophobicContact CG1-CD1 3.76Å; V228-F250 HydrophobicContact CG1-CE1 4.08Å; V228-F250 HydrophobicContact CG1-CG 4.42Å; V234-F250 HydrophobicContact CB-CE2 4.1Å; V234-F250 HydrophobicContact CB-CZ 4.49Å; V234-F250 HydrophobicContact CG1-CD2 4.17Å; V234-F250 HydrophobicContact CG1-CE2 3.77Å; V234-F250 HydrophobicContact CG2-CE2 4.17Å; V234-F250 HydrophobicContact CG2-CZ 4.28Å; I237-F250 HydrophobicContact CB-CE2 4.24Å; I237-F250 HydrophobicContact CB-CZ 3.75Å; I237-F250 HydrophobicContact CD1-CE1 4.09Å; I237-F250 HydrophobicContact CD1-CZ 3.76Å; I237-F250 HydrophobicContact CG1-CZ 4.34Å; I237-F250 HydrophobicContact CG2-CE1 4.42Å; I237-F250 HydrophobicContact CG2-CE2 4.17Å; I237-F250 HydrophobicContact CG2-CZ 3.76Å; R238-F250 HydrophobicContact CG-CE2 4.26Å; T248-F250 PolarHBondContact O-N 2.75Å; F250-R254 WeakPolarHBondContact CA-O 3.46Å; F250-L255 HydrophobicContact CE1-CD1 4.17Å; F250-L262 HydrophobicContact CD1-CD2 4.39Å; F250-L262 HydrophobicContact CE1-CD1 3.75Å; F250-L262 HydrophobicContact CE1-CD2 3.64Å; F250-L262 HydrophobicContact CE1-CG 4.35Å; F250-L262 HydrophobicContact CZ-CD1 3.99Å
251	R	95.6	Very high	96.1	Very high	100 Å²	100	61.7 Å²	61.7	38%	0.377	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	139.4	174.7	-62.5	177.7	66.3	-152.7	2.3	108.3	G253 R254 G257 N293	R251-G253 PolarHBondContact O-N 2.84Å; R251-G253 VanDerWaalsContact O-N 3.08Å; R251-R254 PolarHBondContact N-O 2.68Å; R251-R254 PolarHBondContact O-N 3.11Å; R251-R254 VanDerWaalsContact O-O 3.08Å; R251-G257 VanDerWaalsContact O-CA 3.28Å; R251-G257 WeakPolarHBondContact O-CA 3.29Å; R251-N293 PolarHBondContact NH1-ND2 2.94Å
252	R	93.4	Very high	96.2	Very high	227 Å²	227	60.9 Å²	60.9	86%	0.857	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	37.4	177.3	-55.3	177.9	178.2	174.6	-1.6	113.4	R254	R252-R254 VanDerWaalsContact C-N 3.32Å; R252-R254 PolarHBondContact O-N 2.96Å
253	G	93.3	Very high	96.2	Very high	44 Å²	44	59 Å²	59	45%	0.454	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	20	-178.9	0	0	0	0	0	115.3	V228 R251	V228-G253 WeakPolarHBondContact CG1-O 3.35Å; V228-G253 WeakPolarHBondContact CG2-O 3.39Å; R251-G253 PolarHBondContact O-N 2.84Å; R251-G253 VanDerWaalsContact O-N 3.08Å
254	R	97.2	Very high	96.3	Very high	109 Å²	109	51 Å²	51	41%	0.411	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151	-175.5	-69.7	173.9	177.9	-109.7	-8.1	111.5	F250 R251 R252 L256 G257 E258 L259 V260	F250-R254 WeakPolarHBondContact CA-O 3.46Å; R251-R254 PolarHBondContact N-O 2.68Å; R251-R254 PolarHBondContact O-N 3.11Å; R251-R254 VanDerWaalsContact O-O 3.08Å; R252-R254 VanDerWaalsContact C-N 3.32Å; R252-R254 PolarHBondContact O-N 2.96Å; R254-L256 PolarHBondContact O-N 2.89Å; R254-G257 PolarHBondContact O-N 2.79Å; R254-G257 VanDerWaalsContact O-N 3.07Å; R254-E258 PolarHBondContact NH1-O 3.29Å; R254-E258 VanDerWaalsContact NH1-O 3.09Å; R254-L259 CarbonylContact C-O 3.6Å; R254-L259 VanDerWaalsContact CA-O 3.3Å; R254-L259 WeakPolarHBondContact CA-O 3.09Å; R254-L259 VanDerWaalsContact CB-O 3.28Å; R254-L259 WeakPolarHBondContact CB-O 3.23Å; R254-V260 HydrophobicContact CG-CG2 4.16Å; R254-V260 VanDerWaalsContact NH1-CG2 3.35Å; R254-V260 VanDerWaalsContact NH2-CG2 3.31Å
255	L	97.5	Very high	96.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	121.1	170.9	-174.5	68.9	0	0	0	109.2	I237 F250 G257 E258 L259 L262 L300	I237-L255 HydrophobicContact CD1-CD1 4.34Å; I237-L255 HydrophobicContact CG2-CD1 4.29Å; F250-L255 HydrophobicContact CE1-CD1 4.17Å; L255-G257 PolarHBondContact O-N 3.18Å; L255-E258 PolarHBondContact O-N 2.8Å; L255-L259 HydrophobicContact CB-CB 4.28Å; L255-L259 HydrophobicContact CD2-CD2 4.46Å; L255-L259 PolarHBondContact N-O 2.78Å; L255-L259 PolarHBondContact O-N 2.89Å; L255-L262 HydrophobicContact CB-CD2 3.8Å; L255-L300 HydrophobicContact CD2-CB 4.23Å; L255-L300 HydrophobicContact CD2-CD1 3.91Å
256	L	97.3	Very high	96.5	Very high	2 Å²	2	46 Å²	46	1%	0.01	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	16.1	-173.6	-58.2	177.3	0	0	0	114.9	V249 R254 Y270 P291 Y294 Y299	V249-L256 PolarHBondContact O-N 3.02Å; R254-L256 PolarHBondContact O-N 2.89Å; L256-Y270 HydrophobicContact CD1-CD1 4.08Å; L256-P291 HydrophobicContact CB-CB 4.39Å; L256-P291 HydrophobicContact CD1-CB 3.85Å; L256-P291 HydrophobicContact CD1-CG 4.43Å; L256-Y294 HydrophobicContact CD1-CD2 3.58Å; L256-Y294 HydrophobicContact CD1-CE2 4.07Å; L256-Y299 HydrophobicContact CD1-CD1 4.29Å; L256-Y299 HydrophobicContact CD1-CD2 4.08Å; L256-Y299 HydrophobicContact CD1-CE2 4.43Å; L256-Y299 HydrophobicContact CD1-CG 3.99Å; L256-Y299 HydrophobicContact CD2-CD1 3.97Å; L256-Y299 HydrophobicContact CD2-CE1 3.92Å; L256-Y299 HydrophobicContact CD2-CG 4.49Å; L256-Y299 HydrophobicContact CG-CD1 4.33Å; L256-Y299 HydrophobicContact CG-CG 4.45Å
257	G	96	Very high	96.8	Very high	24 Å²	24	43.7 Å²	43.7	25%	0.247	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	4.1	-175.6	0	0	0	0	0	115.9	R251 R254 L255	R251-G257 VanDerWaalsContact O-CA 3.28Å; R251-G257 WeakPolarHBondContact O-CA 3.29Å; R254-G257 PolarHBondContact O-N 2.79Å; R254-G257 VanDerWaalsContact O-N 3.07Å; L255-G257 PolarHBondContact O-N 3.18Å
258	E	95.9	Very high	97	Very high	75 Å²	75	34.9 Å²	34.9	35%	0.35	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-51.8	-169.8	-62	-176.6	-177	0	0	113	R254 L255 Y270	R254-E258 PolarHBondContact NH1-O 3.29Å; R254-E258 VanDerWaalsContact NH1-O 3.09Å; L255-E258 PolarHBondContact O-N 2.8Å; E258-Y270 HydrophobicContact CB-CE1 4.43Å; E258-Y270 WeakPolarHBondContact CB-OH 3.23Å; E258-Y270 PolarHBondContact OE2-OH 2.76Å
259	L	97	Very high	96.9	Very high	13 Å²	13	37 Å²	37	7%	0.068	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-102.1	134.9	-169	-170.1	68.3	0	0	0	112.4	R254 L255 P261 Y270 L300	R254-L259 CarbonylContact C-O 3.6Å; R254-L259 VanDerWaalsContact CA-O 3.3Å; R254-L259 WeakPolarHBondContact CA-O 3.09Å; R254-L259 VanDerWaalsContact CB-O 3.28Å; R254-L259 WeakPolarHBondContact CB-O 3.23Å; L255-L259 HydrophobicContact CB-CB 4.28Å; L255-L259 HydrophobicContact CD2-CD2 4.46Å; L255-L259 PolarHBondContact N-O 2.78Å; L255-L259 PolarHBondContact O-N 2.89Å; L259-P261 HydrophobicContact CD1-CG 4.02Å; L259-P261 HydrophobicContact CD2-CG 4.47Å; L259-P261 VanDerWaalsContact CD2-O 3.29Å; L259-P261 WeakPolarHBondContact CD2-O 3.36Å; L259-P261 HydrophobicContact CG-CG 4.02Å; L259-P261 WeakPolarHBondContact CG-O 3.47Å; L259-Y270 HydrophobicContact CB-CE2 4.19Å; L259-Y270 HydrophobicContact CD2-CD2 3.96Å; L259-Y270 HydrophobicContact CD2-CE2 3.96Å; L259-Y270 HydrophobicContact CG-CE2 4.48Å; L259-L300 HydrophobicContact CD2-CD1 3.94Å; L259-L300 HydrophobicContact CD2-CD2 3.83Å
260	V	96.9	Very high	96.9	Very high	47 Å²	47	37.1 Å²	37.1	29%	0.285	17%	0.173	S	C	.	.	S	Bend	trans	-78.4	-57.3	175.8	178.1	0	0	0	0	111.5	T227 R254 L262	T227-V260 HydrophobicContact CG2-CG1 4.23Å; R254-V260 HydrophobicContact CG-CG2 4.16Å; R254-V260 VanDerWaalsContact NH1-CG2 3.35Å; R254-V260 VanDerWaalsContact NH2-CG2 3.31Å; V260-L262 PolarHBondContact O-N 2.86Å
261	P	97.9	Very high	97	Very high	8 Å²	8	37 Å²	37	5%	0.052	17%	0.172	C	C	.	.			trans	-67.8	130.5	178.7	26.8	-35.6	0	0	0	110.4	C183 L259 R263	C183-P261 VanDerWaalsContact SG-CB 3.56Å; L259-P261 HydrophobicContact CD1-CG 4.02Å; L259-P261 HydrophobicContact CD2-CG 4.47Å; L259-P261 VanDerWaalsContact CD2-O 3.29Å; L259-P261 WeakPolarHBondContact CD2-O 3.36Å; L259-P261 HydrophobicContact CG-CG 4.02Å; L259-P261 WeakPolarHBondContact CG-O 3.47Å; P261-R263 VanDerWaalsContact C-N 3.28Å
262	L	98.5	Very high	97.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-87.7	-1	-179.8	-58.4	-169.5	0	0	0	112.8	H226 T227 V228 E233 I237 F250 L255 V260 L300	H226-L262 HydrophobicContact CB-CB 4.48Å; H226-L262 VanDerWaalsContact O-CB 3.29Å; H226-L262 WeakPolarHBondContact O-CB 3.32Å; H226-L262 WeakPolarHBondContact O-CG 3.39Å; H226-L262 PolarHBondContact O-N 3.42Å; T227-L262 VanDerWaalsContact O-CD1 3.25Å; T227-L262 WeakPolarHBondContact O-CD1 3.12Å; V228-L262 HydrophobicContact CG1-CD1 4.3Å; V228-L262 HydrophobicContact CG1-CD2 4.32Å; E233-L262 HydrophobicContact CB-CD1 3.91Å; I237-L262 HydrophobicContact CD1-CB 3.75Å; I237-L262 HydrophobicContact CD1-CD1 3.95Å; I237-L262 HydrophobicContact CD1-CD2 4.31Å; I237-L262 HydrophobicContact CD1-CG 4.21Å; F250-L262 HydrophobicContact CD1-CD2 4.39Å; F250-L262 HydrophobicContact CE1-CD1 3.75Å; F250-L262 HydrophobicContact CE1-CD2 3.64Å; F250-L262 HydrophobicContact CE1-CG 4.35Å; F250-L262 HydrophobicContact CZ-CD1 3.99Å; L255-L262 HydrophobicContact CB-CD2 3.8Å; V260-L262 PolarHBondContact O-N 2.86Å; L262-L300 VanDerWaalsContact C-CD1 3.44Å; L262-L300 WeakPolarHBondContact O-CD1 3.49Å
263	R	98.7	Very high	97.2	Very high	21 Å²	21	24.8 Å²	24.8	8%	0.079	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-145.9	134.3	169.5	-51	-164.7	-165.5	-179.6	6	109.5	L199 H226 E233 P261 T301 E303 S305	L199-R263 HydrophobicContact CD1-CB 3.55Å; L199-R263 HydrophobicContact CG-CB 4.09Å; H226-R263 HydrophobicContact CB-CB 4.4Å; H226-R263 HydrophobicContact CB-CG 4.08Å; H226-R263 WeakPolarHBondContact ND1-CD 3.23Å; E233-R263 VanDerWaalsContact CD-NE 3.34Å; E233-R263 IonicContact OE1-CZ 3.45Å; E233-R263 IonicContact OE1-NE 3.78Å; E233-R263 PolarHBondContact OE1-NE 3.49Å; E233-R263 IonicContact OE1-NH2 3.77Å; E233-R263 PolarHBondContact OE1-NH2 2.96Å; E233-R263 WeakPolarHBondContact OE2-CG 3.36Å; E233-R263 IonicContact OE2-CZ 2.64Å; E233-R263 IonicContact OE2-NE 3.57Å; E233-R263 PolarHBondContact OE2-NE 3.49Å; E233-R263 IonicContact OE2-NH2 2.67Å; P261-R263 VanDerWaalsContact C-N 3.28Å; R263-T301 VanDerWaalsContact CA-O 3.26Å; R263-T301 WeakPolarHBondContact CA-O 3.28Å; R263-T301 HydrophobicContact CB-CG2 4.42Å; R263-T301 WeakPolarHBondContact CB-O 3.49Å; R263-T301 HydrophobicContact CG-CG2 3.87Å; R263-E303 WeakPolarHBondContact CD-O 3.43Å; R263-E303 PolarHBondContact NH1-O 2.96Å; R263-S305 PolarHBondContact NH1-OG 2.81Å
264	A	98.8	Very high	97.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.127	C	C	.	.			trans	-159.8	157.6	175.6	0	0	0	0	0	111.7	K271 L300 T301	A264-K271 PolarHBondContact O-NZ 2.8Å; A264-L300 HydrophobicContact CB-CD2 4.19Å; A264-T301 PolarHBondContact N-O 3.22Å; A264-T301 VanDerWaalsContact N-O 3.1Å
265	F	98.9	Very high	97	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	158.9	162.2	-73.6	-81.1	0	0	0	110.7	V68 L72 F151 L154 D155 G181 S182 A184 L199 D267	V68-F265 HydrophobicContact CB-CD2 4.44Å; V68-F265 HydrophobicContact CG1-CD2 3.79Å; V68-F265 HydrophobicContact CG1-CE2 3.67Å; V68-F265 HydrophobicContact CG1-CG 4.36Å; V68-F265 HydrophobicContact CG1-CZ 4.15Å; V68-F265 HydrophobicContact CG2-CB 3.71Å; V68-F265 HydrophobicContact CG2-CD1 4Å; V68-F265 HydrophobicContact CG2-CD2 3.78Å; V68-F265 HydrophobicContact CG2-CE2 4.37Å; V68-F265 HydrophobicContact CG2-CG 3.57Å; L72-F265 HydrophobicContact CD1-CZ 4.03Å; L72-F265 HydrophobicContact CD2-CE2 4.37Å; L72-F265 HydrophobicContact CD2-CZ 4.3Å; F151-F265 HydrophobicContact CB-CE1 4.42Å; F151-F265 HydrophobicContact CB-CZ 3.95Å; F151-F265 HydrophobicContact CD1-CE1 4.39Å; F151-F265 AromaticContact CD1-CE2 3.5Å; F151-F265 HydrophobicContact CD1-CE2 3.5Å; F151-F265 VanDerWaalsContact CD1-CE2 3.5Å; F151-F265 AromaticContact CD1-CZ 3.29Å; F151-F265 HydrophobicContact CD1-CZ 3.29Å; F151-F265 AromaticContact CE1-CE2 3.69Å; F151-F265 HydrophobicContact CE1-CE2 3.69Å; F151-F265 AromaticContact CE1-CZ 3.9Å; F151-F265 HydrophobicContact CE1-CZ 3.9Å; F151-F265 HydrophobicContact CG-CE2 4.34Å; F151-F265 AromaticContact CG-CZ 3.69Å; F151-F265 HydrophobicContact CG-CZ 3.69Å; F151-F265 VanDerWaalsContact O-CE1 3.29Å; F151-F265 WeakPolarHBondContact O-CE1 3.29Å; L154-F265 HydrophobicContact CB-CE1 4.21Å; L154-F265 HydrophobicContact CD2-CE1 3.97Å; L154-F265 HydrophobicContact CD2-CZ 4.31Å; L154-F265 HydrophobicContact CG-CE1 4.21Å; D155-F265 HydrophobicContact CB-CD1 3.73Å; D155-F265 HydrophobicContact CB-CE1 4.06Å; D155-F265 WeakPolarHBondContact OD1-CA 3.42Å; G181-F265 VanDerWaalsContact CA-O 3.24Å; G181-F265 WeakPolarHBondContact CA-O 3.22Å; S182-F265 PolarHBondContact N-O 2.76Å; S182-F265 PolarHBondContact O-N 2.9Å; A184-F265 HydrophobicContact CB-CD2 4.27Å; A184-F265 HydrophobicContact CB-CE2 3.88Å; L199-F265 HydrophobicContact CD2-CD2 3.31Å; L199-F265 HydrophobicContact CD2-CE2 3.48Å; L199-F265 VanDerWaalsContact CD2-CE2 3.48Å; L199-F265 HydrophobicContact CD2-CG 4.04Å; L199-F265 HydrophobicContact CD2-CZ 4.32Å; F265-D267 PolarHBondContact O-N 2.98Å
266	G	98.5	Very high	96.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.1	-131.4	177	0	0	0	0	0	111	D155 V178 V268 K271	D155-G266 PolarHBondContact OD1-N 2.79Å; V178-G266 CarbonylContact O-C 3.48Å; G266-V268 PolarHBondContact O-N 3.49Å; G266-V268 VanDerWaalsContact O-N 3.15Å; G266-K271 WeakPolarHBondContact O-CD 3.31Å; G266-K271 WeakPolarHBondContact O-CE 3.32Å; G266-K271 PolarHBondContact O-NZ 3.13Å
267	D	98.1	Very high	96.7	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.021	16%	0.16	C	C	.	.			trans	51.9	40.3	174.1	-94.2	-31.5	0	0	0	113.9	H59 V178 S180 F265 R269 Y270 L300	H59-D267 IonicContact CD2-OD1 3.46Å; H59-D267 IonicContact CD2-OD2 2.74Å; H59-D267 IonicContact CE1-OD2 3.33Å; H59-D267 IonicContact NE2-OD1 3.38Å; H59-D267 IonicContact NE2-OD2 3.61Å; H59-D267 PolarHBondContact NE2-OD2 2.82Å; V178-D267 PolarHBondContact O-N 2.86Å; S180-D267 PolarHBondContact O-N 3.28Å; F265-D267 PolarHBondContact O-N 2.98Å; D267-R269 PolarHBondContact O-N 2.79Å; D267-Y270 HydrophobicContact CB-CD2 3.96Å; D267-Y270 PolarHBondContact O-N 2.89Å; D267-L300 HydrophobicContact CB-CD2 3.38Å
268	V	97	Very high	96.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-60.4	-17.4	-172.6	-67.6	0	0	0	0	113.9	I159 V178 M179 G266 Y270 K271 W272	I159-V268 HydrophobicContact CD1-CG1 4.18Å; I159-V268 HydrophobicContact CG1-CG1 3.73Å; V178-V268 HydrophobicContact CB-CG1 3.68Å; V178-V268 HydrophobicContact CB-CG2 4.38Å; V178-V268 HydrophobicContact CG2-CG1 3.9Å; V178-V268 HydrophobicContact CG2-CG2 3.93Å; V178-V268 WeakPolarHBondContact O-CG2 3.29Å; V178-V268 PolarHBondContact O-N 2.78Å; M179-V268 HydrophobicContact CG-CG2 4.45Å; M179-V268 HydrophobicContact SD-CG2 3.77Å; G266-V268 PolarHBondContact O-N 3.49Å; G266-V268 VanDerWaalsContact O-N 3.15Å; V268-Y270 PolarHBondContact O-N 3.39Å; V268-K271 PolarHBondContact O-N 3.16Å; V268-W272 HydrophobicContact CB-CD2 3.63Å; V268-W272 HydrophobicContact CB-CE3 3.89Å; V268-W272 HydrophobicContact CB-CG 4.01Å; V268-W272 HydrophobicContact CB-CH2 4.36Å; V268-W272 HydrophobicContact CB-CZ2 4.14Å; V268-W272 HydrophobicContact CB-CZ3 4.25Å; V268-W272 HydrophobicContact CG1-CD2 4.24Å; V268-W272 HydrophobicContact CG1-CZ2 3.99Å; V268-W272 HydrophobicContact CG2-CD2 3.94Å; V268-W272 HydrophobicContact CG2-CE3 3.64Å; V268-W272 HydrophobicContact CG2-CH2 3.91Å; V268-W272 HydrophobicContact CG2-CZ2 4.18Å; V268-W272 HydrophobicContact CG2-CZ3 3.63Å; V268-W272 WeakPolarHBondContact O-CB 3.14Å; V268-W272 PolarHBondContact O-N 2.76Å
269	R	95.3	Very high	96.2	Very high	73 Å²	73	33.1 Å²	33.1	28%	0.275	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-59.6	-22.2	171.2	-64	-168	-60.2	169.7	6	113.8	M179 D267 Q277 I281 Y294	M179-R269 HydrophobicContact CE-CG 3.77Å; M179-R269 HydrophobicContact SD-CG 4.03Å; D267-R269 PolarHBondContact O-N 2.79Å; R269-Q277 PolarHBondContact O-NE2 3.12Å; R269-I281 HydrophobicContact CG-CD1 4.29Å; R269-Y294 WeakPolarHBondContact O-CE2 3.5Å; R269-Y294 PolarHBondContact O-OH 2.86Å; R269-Y294 VanDerWaalsContact O-OH 3.09Å
270	Y	97.4	Very high	96	Very high	4 Å²	4	33 Å²	33	2%	0.016	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-102.4	-4.3	176.2	-51.9	-69.1	0	0	0	112.6	L256 E258 L259 D267 V268 P291 Y294 Y299 L300	L256-Y270 HydrophobicContact CD1-CD1 4.08Å; E258-Y270 HydrophobicContact CB-CE1 4.43Å; E258-Y270 WeakPolarHBondContact CB-OH 3.23Å; E258-Y270 PolarHBondContact OE2-OH 2.76Å; L259-Y270 HydrophobicContact CB-CE2 4.19Å; L259-Y270 HydrophobicContact CD2-CD2 3.96Å; L259-Y270 HydrophobicContact CD2-CE2 3.96Å; L259-Y270 HydrophobicContact CG-CE2 4.48Å; D267-Y270 HydrophobicContact CB-CD2 3.96Å; D267-Y270 PolarHBondContact O-N 2.89Å; V268-Y270 PolarHBondContact O-N 3.39Å; Y270-P291 HydrophobicContact CD1-CG 3.95Å; Y270-P291 HydrophobicContact CE1-CB 4.27Å; Y270-P291 HydrophobicContact CE1-CG 3.67Å; Y270-Y294 WeakPolarHBondContact CA-OH 3.35Å; Y270-Y294 PolarHBondContact O-OH 3.04Å; Y270-Y299 PolarHBondContact O-N 2.85Å; Y270-L300 HydrophobicContact CD2-CD2 4.29Å
271	K	97.9	Very high	95.7	Very high	25 Å²	25	31 Å²	31	11%	0.109	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-43.6	-177.1	-58	178.3	179.6	167.4	0	113.8	D155 I159 A264 G266 V268 Y294 P298 L300	D155-K271 VanDerWaalsContact CG-NZ 3.32Å; D155-K271 IonicContact OD1-NZ 3.81Å; D155-K271 PolarHBondContact OD1-NZ 2.72Å; D155-K271 VanDerWaalsContact OD1-NZ 3.16Å; D155-K271 IonicContact OD2-NZ 2.65Å; D155-K271 PolarHBondContact OD2-NZ 2.75Å; I159-K271 HydrophobicContact CD1-CD 4.19Å; A264-K271 PolarHBondContact O-NZ 2.8Å; G266-K271 WeakPolarHBondContact O-CD 3.31Å; G266-K271 WeakPolarHBondContact O-CE 3.32Å; G266-K271 PolarHBondContact O-NZ 3.13Å; V268-K271 PolarHBondContact O-N 3.16Å; K271-Y294 PolarHBondContact N-OH 2.93Å; K271-P298 HydrophobicContact CB-CB 4.41Å; K271-L300 HydrophobicContact CG-CB 4.35Å
272	W	96.9	Very high	95	Very high	11 Å²	11	33.1 Å²	33.1	4%	0.042	18%	0.181	C	C	.	.	S	Bend	trans	-76.5	146.1	-177.5	-76.4	-10.1	0	0	0	112.8	I159 A162 L163 L175 V178 V268 Q276 Q277 I280 I281 Y294	I159-W272 HydrophobicContact CG2-CZ2 4.11Å; A162-W272 HydrophobicContact CB-CH2 4.44Å; L163-W272 HydrophobicContact CD2-CZ2 3.91Å; L175-W272 HydrophobicContact CD1-CH2 4Å; L175-W272 HydrophobicContact CD1-CZ3 4.14Å; V178-W272 HydrophobicContact CG2-CH2 4.26Å; V178-W272 HydrophobicContact CG2-CZ2 4.5Å; V268-W272 HydrophobicContact CB-CD2 3.63Å; V268-W272 HydrophobicContact CB-CE3 3.89Å; V268-W272 HydrophobicContact CB-CG 4.01Å; V268-W272 HydrophobicContact CB-CH2 4.36Å; V268-W272 HydrophobicContact CB-CZ2 4.14Å; V268-W272 HydrophobicContact CB-CZ3 4.25Å; V268-W272 HydrophobicContact CG1-CD2 4.24Å; V268-W272 HydrophobicContact CG1-CZ2 3.99Å; V268-W272 HydrophobicContact CG2-CD2 3.94Å; V268-W272 HydrophobicContact CG2-CE3 3.64Å; V268-W272 HydrophobicContact CG2-CH2 3.91Å; V268-W272 HydrophobicContact CG2-CZ2 4.18Å; V268-W272 HydrophobicContact CG2-CZ3 3.63Å; V268-W272 WeakPolarHBondContact O-CB 3.14Å; V268-W272 PolarHBondContact O-N 2.76Å; W272-Q276 HydrophobicContact CB-CB 3.99Å; W272-Q276 HydrophobicContact CD2-CB 4.47Å; W272-Q276 HydrophobicContact CG-CB 4.22Å; W272-Q277 HydrophobicContact CB-CG 3.87Å; W272-Q277 HydrophobicContact CE3-CG 4.45Å; W272-Q277 PolarHBondContact O-NE2 3.46Å; W272-I280 HydrophobicContact CH2-CD1 4.11Å; W272-I280 HydrophobicContact CH2-CG2 3.98Å; W272-I280 HydrophobicContact CZ2-CD1 4.46Å; W272-I280 HydrophobicContact CZ3-CB 4.11Å; W272-I280 HydrophobicContact CZ3-CD1 4.16Å; W272-I280 HydrophobicContact CZ3-CG2 3.93Å; W272-I281 HydrophobicContact CE3-CD1 4.45Å; W272-I281 HydrophobicContact CE3-CG1 4.5Å; W272-I281 HydrophobicContact CZ3-CD1 4.49Å; W272-I281 HydrophobicContact CZ3-CG1 4.13Å; W272-Y294 VanDerWaalsContact O-CE1 3.29Å; W272-Y294 WeakPolarHBondContact O-CE1 3.31Å; W272-Y294 PolarHBondContact O-OH 2.88Å
273	T	96.2	Very high	94.2	Very high	60 Å²	60	37.5 Å²	37.5	37%	0.368	21%	0.207	S	C	.	.			trans	-58.2	153.3	170	63.9	0	0	0	0	111.7	Q275 Q276 Q277	T273-Q275 PolarHBondContact O-N 3.07Å; T273-Q275 VanDerWaalsContact O-N 3.16Å; T273-Q276 PolarHBondContact O-N 3.04Å; T273-Q276 VanDerWaalsContact OG1-CG 3.29Å; T273-Q276 WeakPolarHBondContact OG1-CG 3.5Å; T273-Q276 PolarHBondContact OG1-N 2.79Å; T273-Q276 PolarHBondContact OG1-OE1 2.98Å; T273-Q277 WeakPolarHBondContact O-CG 3.14Å; T273-Q277 PolarHBondContact O-N 3Å
274	A	93.7	Very high	93.5	Very high	40 Å²	40	40.2 Å²	40.2	33%	0.331	22%	0.223	S	C	.	.	H	α-helix	trans	-54.9	-35.3	176.1	0	0	0	0	0	112.6	N278 T290	A274-N278 WeakPolarHBondContact O-CB 3.42Å; A274-N278 VanDerWaalsContact O-CG 3.28Å; A274-N278 PolarHBondContact O-N 3.18Å; A274-N278 PolarHBondContact O-ND2 3.13Å; A274-T290 HydrophobicContact CB-CG2 3.88Å
275	Q	93.4	Very high	92.6	Very high	159 Å²	159	43.1 Å²	43.1	74%	0.743	24%	0.238	S	C	*	.	H	α-helix	trans	-64.6	-45.6	175.9	-175	-178.9	2.8	0	0	112.2	T273 N278 A279	T273-Q275 PolarHBondContact O-N 3.07Å; T273-Q275 VanDerWaalsContact O-N 3.16Å; Q275-N278 PolarHBondContact O-N 2.91Å; Q275-A279 WeakPolarHBondContact O-CB 3.34Å; Q275-A279 PolarHBondContact O-N 3.24Å
276	Q	93.4	Very high	91.8	Very high	74 Å²	74	44.9 Å²	44.9	35%	0.346	26%	0.256	S	S	.	.	H	α-helix	trans	-63.2	-44.8	176.6	-75.6	167.6	-56.2	0	0	111.5	W272 T273 N278 A279 I280	W272-Q276 HydrophobicContact CB-CB 3.99Å; W272-Q276 HydrophobicContact CD2-CB 4.47Å; W272-Q276 HydrophobicContact CG-CB 4.22Å; T273-Q276 PolarHBondContact O-N 3.04Å; T273-Q276 VanDerWaalsContact OG1-CG 3.29Å; T273-Q276 WeakPolarHBondContact OG1-CG 3.5Å; T273-Q276 PolarHBondContact OG1-N 2.79Å; T273-Q276 PolarHBondContact OG1-OE1 2.98Å; Q276-N278 VanDerWaalsContact C-N 3.34Å; Q276-N278 PolarHBondContact O-N 3.21Å; Q276-A279 PolarHBondContact O-N 3.42Å; Q276-I280 WeakPolarHBondContact O-CB 3.46Å; Q276-I280 WeakPolarHBondContact O-CG1 3.16Å; Q276-I280 PolarHBondContact O-N 2.93Å
277	Q	93.8	Very high	90.9	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.028	30%	0.295	C	S	.	.	H	α-helix	trans	-57	-49.3	176.5	-69	-169.7	47.9	0	0	110.9	R269 W272 T273 A279 I281 Y294	R269-Q277 PolarHBondContact O-NE2 3.12Å; W272-Q277 HydrophobicContact CB-CG 3.87Å; W272-Q277 HydrophobicContact CE3-CG 4.45Å; W272-Q277 PolarHBondContact O-NE2 3.46Å; T273-Q277 WeakPolarHBondContact O-CG 3.14Å; T273-Q277 PolarHBondContact O-N 3Å; Q277-A279 PolarHBondContact O-N 3.08Å; Q277-I281 HydrophobicContact CB-CD1 3.85Å; Q277-I281 HydrophobicContact CG-CD1 3.9Å; Q277-I281 WeakPolarHBondContact O-CB 3.45Å; Q277-I281 WeakPolarHBondContact O-CG1 3.26Å; Q277-I281 PolarHBondContact O-N 2.98Å; Q277-Y294 PolarHBondContact NE2-OH 2.84Å
278	N	91.2	Very high	90.3	Very high	89 Å²	89	54.8 Å²	54.8	48%	0.476	31%	0.314	S	S	.	.	H	α-helix	trans	-62.6	-41.9	177.4	-72.6	-26	0	0	0	112.5	A274 Q275 Q276 S282	A274-N278 WeakPolarHBondContact O-CB 3.42Å; A274-N278 VanDerWaalsContact O-CG 3.28Å; A274-N278 PolarHBondContact O-N 3.18Å; A274-N278 PolarHBondContact O-ND2 3.13Å; Q275-N278 PolarHBondContact O-N 2.91Å; Q276-N278 VanDerWaalsContact C-N 3.34Å; Q276-N278 PolarHBondContact O-N 3.21Å; N278-S282 VanDerWaalsContact O-CB 3.27Å; N278-S282 WeakPolarHBondContact O-CB 3.39Å; N278-S282 PolarHBondContact O-OG 2.94Å
279	A	91.1	Very high	89.8	Confident	61 Å²	61	60.7 Å²	60.7	50%	0.504	35%	0.352	S	S	.	.	H	α-helix	trans	-71.2	-35.9	-177.6	0	0	0	0	0	113.6	Q275 Q276 Q277 T283	Q275-A279 WeakPolarHBondContact O-CB 3.34Å; Q275-A279 PolarHBondContact O-N 3.24Å; Q276-A279 PolarHBondContact O-N 3.42Å; Q277-A279 PolarHBondContact O-N 3.08Å; A279-T283 PolarHBondContact O-OG1 3.19Å
280	I	92.4	Very high	89.7	Confident	11 Å²	11	59.5 Å²	59.5	6%	0.056	35%	0.353	C	S	.	.	H	α-helix	trans	-99.1	-52.5	-170.4	-58.8	174	0	0	0	110.9	L163 P164 I170 L175 W272 Q276 S282 T283	L163-I280 HydrophobicContact CD2-CD1 3.58Å; P164-I280 HydrophobicContact CG-CG1 4.49Å; I170-I280 HydrophobicContact CD1-CG2 4.01Å; I170-I280 HydrophobicContact CG2-CG2 4.4Å; L175-I280 HydrophobicContact CD1-CG2 3.95Å; W272-I280 HydrophobicContact CH2-CD1 4.11Å; W272-I280 HydrophobicContact CH2-CG2 3.98Å; W272-I280 HydrophobicContact CZ2-CD1 4.46Å; W272-I280 HydrophobicContact CZ3-CB 4.11Å; W272-I280 HydrophobicContact CZ3-CD1 4.16Å; W272-I280 HydrophobicContact CZ3-CG2 3.93Å; Q276-I280 WeakPolarHBondContact O-CB 3.46Å; Q276-I280 WeakPolarHBondContact O-CG1 3.16Å; Q276-I280 PolarHBondContact O-N 2.93Å; I280-S282 PolarHBondContact O-N 3.1Å; I280-T283 WeakPolarHBondContact O-CB 3.36Å; I280-T283 PolarHBondContact O-N 3.45Å
281	I	89.7	Confident	89.5	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-68	-41.5	-173.3	-57.8	173.2	0	0	0	110.2	M179 R269 W272 Q277 T283 L284 L285 R288	M179-I281 HydrophobicContact CE-CD1 3.95Å; M179-I281 HydrophobicContact CE-CG1 4.4Å; M179-I281 HydrophobicContact CE-CG2 4.03Å; M179-I281 HydrophobicContact SD-CD1 3.49Å; M179-I281 WeakPolarHBondContact SD-CD1 3.44Å; M179-I281 HydrophobicContact SD-CG1 3.78Å; M179-I281 HydrophobicContact SD-CG2 4.42Å; R269-I281 HydrophobicContact CG-CD1 4.29Å; W272-I281 HydrophobicContact CE3-CD1 4.45Å; W272-I281 HydrophobicContact CE3-CG1 4.5Å; W272-I281 HydrophobicContact CZ3-CD1 4.49Å; W272-I281 HydrophobicContact CZ3-CG1 4.13Å; Q277-I281 HydrophobicContact CB-CD1 3.85Å; Q277-I281 HydrophobicContact CG-CD1 3.9Å; Q277-I281 WeakPolarHBondContact O-CB 3.45Å; Q277-I281 WeakPolarHBondContact O-CG1 3.26Å; Q277-I281 PolarHBondContact O-N 2.98Å; I281-T283 PolarHBondContact O-N 3.3Å; I281-L284 PolarHBondContact O-N 3.26Å; I281-L285 HydrophobicContact CG2-CB 4.15Å; I281-L285 HydrophobicContact CG2-CD1 4.28Å; I281-L285 PolarHBondContact O-N 2.96Å; I281-R288 HydrophobicContact CG2-CB 4.47Å; I281-R288 HydrophobicContact CG2-CG 4.43Å
282	S	84.6	Confident	89.3	Confident	54 Å²	54	60.6 Å²	60.6	38%	0.378	37%	0.368	S	S	.	.	H	α-helix	trans	-65.1	-27.1	-176.9	84.3	0	0	0	0	113.2	N278 I280 L284 G286	N278-S282 VanDerWaalsContact O-CB 3.27Å; N278-S282 WeakPolarHBondContact O-CB 3.39Å; N278-S282 PolarHBondContact O-OG 2.94Å; I280-S282 PolarHBondContact O-N 3.1Å; S282-L284 VanDerWaalsContact C-N 3.29Å; S282-L284 PolarHBondContact O-N 2.87Å; S282-G286 WeakPolarHBondContact CA-O 3.27Å; S282-G286 PolarHBondContact O-N 3.42Å
283	T	82	Confident	89.2	Confident	92 Å²	92	62.2 Å²	62.2	56%	0.564	38%	0.377	S	S	*	.	H	α-helix	trans	-65	-32.8	-178.3	-60.5	0	0	0	0	112.1	I170 A279 I280 I281	I170-T283 HydrophobicContact CD1-CG2 4.17Å; A279-T283 PolarHBondContact O-OG1 3.19Å; I280-T283 WeakPolarHBondContact O-CB 3.36Å; I280-T283 PolarHBondContact O-N 3.45Å; I281-T283 PolarHBondContact O-N 3.3Å
284	L	82.9	Confident	89.2	Confident	78 Å²	78	60.4 Å²	60.4	41%	0.408	36%	0.364	S	S	.	.	H	α-helix	trans	-115.9	-31.6	-176.6	-67.4	-178.4	0	0	0	114.4	I170 A172 L175 I281 S282	I170-L284 HydrophobicContact CB-CD1 3.91Å; I170-L284 HydrophobicContact CG2-CD1 3.57Å; A172-L284 HydrophobicContact CB-CD1 4.11Å; L175-L284 HydrophobicContact CD2-CB 3.98Å; L175-L284 HydrophobicContact CD2-CD1 3.75Å; L175-L284 HydrophobicContact CD2-CG 4.33Å; I281-L284 PolarHBondContact O-N 3.26Å; S282-L284 VanDerWaalsContact C-N 3.29Å; S282-L284 PolarHBondContact O-N 2.87Å
285	L	80.7	Confident	89.3	Confident	61 Å²	61	64.9 Å²	64.9	32%	0.319	38%	0.376	S	S	.	.	H	α-helix	trans	-113.6	4.7	-172.1	-60.9	179	0	0	0	113.5	L175 M179 I281	L175-L285 HydrophobicContact CD2-CD1 4.47Å; M179-L285 HydrophobicContact CE-CD1 4.27Å; M179-L285 HydrophobicContact CG-CD1 4.3Å; I281-L285 HydrophobicContact CG2-CB 4.15Å; I281-L285 HydrophobicContact CG2-CD1 4.28Å; I281-L285 PolarHBondContact O-N 2.96Å
286	G	81.9	Confident	89.5	Confident	36 Å²	36	59.7 Å²	59.7	37%	0.371	36%	0.355	S	S	.	.			trans	73.5	173.6	-173.8	0	0	0	0	0	113	S282 R288	S282-G286 WeakPolarHBondContact CA-O 3.27Å; S282-G286 PolarHBondContact O-N 3.42Å; G286-R288 PolarHBondContact O-N 3.45Å; G286-R288 VanDerWaalsContact O-N 3.13Å
287	A	80	Confident	89.7	Confident	99 Å²	99	57.9 Å²	57.9	82%	0.818	35%	0.35	S	S	*	.			trans	-60.9	118.3	-179.9	0	0	0	0	0	110.6
288	R	84	Confident	89.8	Confident	114 Å²	114	61.5 Å²	61.5	43%	0.43	37%	0.374	S	S	.	.			trans	-118.6	122.7	171.1	-68.6	-172.7	178.6	-162.1	-1	107.8	I281 G286	I281-R288 HydrophobicContact CG2-CB 4.47Å; I281-R288 HydrophobicContact CG2-CG 4.43Å; G286-R288 PolarHBondContact O-N 3.45Å; G286-R288 VanDerWaalsContact O-N 3.13Å
289	P	88.2	Confident	90.2	Very high	123 Å²	123	57.3 Å²	57.3	80%	0.799	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-62.2	144.4	177	27	-33.3	0	0	0	109.7
290	T	92	Very high	90.5	Very high	48 Å²	48	54.8 Å²	54.8	29%	0.294	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-62.3	157.1	168.3	53	0	0	0	0	109.9	A274 Y294	A274-T290 HydrophobicContact CB-CG2 3.88Å; T290-Y294 HydrophobicContact CG2-CD1 4.39Å
291	P	93.5	Very high	90.8	Very high	5 Å²	5	55.8 Å²	55.8	3%	0.032	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-50.8	152.6	172.7	-27.1	35.6	0	0	0	112.4	L256 Y270 Y294	L256-P291 HydrophobicContact CB-CB 4.39Å; L256-P291 HydrophobicContact CD1-CB 3.85Å; L256-P291 HydrophobicContact CD1-CG 4.43Å; Y270-P291 HydrophobicContact CD1-CG 3.95Å; Y270-P291 HydrophobicContact CE1-CB 4.27Å; Y270-P291 HydrophobicContact CE1-CG 3.67Å; P291-Y294 HydrophobicContact CB-CD2 4.16Å; P291-Y294 HydrophobicContact CG-CD2 4.13Å; P291-Y294 HydrophobicContact CG-CE2 4.43Å; P291-Y294 WeakPolarHBondContact O-CB 3.31Å
292	A	93.2	Very high	91.2	Very high	47 Å²	47	55.9 Å²	55.9	39%	0.388	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	139.8	175.3	0	0	0	0	0	110.7
293	N	94.8	Very high	91.9	Very high	46 Å²	46	56.3 Å²	56.3	25%	0.246	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	34.4	-177.9	-43.2	-66.7	0	0	0	114.4	T248 R251 F295 Y299	T248-N293 HydrophobicContact CG2-CB 4.04Å; R251-N293 PolarHBondContact NH1-ND2 2.94Å; N293-F295 VanDerWaalsContact CA-CE2 3.49Å; N293-F295 HydrophobicContact CB-CD2 4.21Å; N293-F295 HydrophobicContact CB-CE2 3.58Å; N293-F295 HydrophobicContact CB-CZ 4.12Å; N293-F295 VanDerWaalsContact O-CD2 3.29Å; N293-F295 WeakPolarHBondContact O-CD2 3.39Å; N293-F295 PolarHBondContact O-N 3.14Å; N293-Y299 PolarHBondContact O-OH 3.46Å
294	Y	96.4	Very high	92.7	Very high	21 Å²	21	52 Å²	52	8%	0.082	31%	0.306	C	S	.	.			trans	-88.3	80.3	-178.3	-161.3	-109.8	0	0	0	111.8	L256 R269 Y270 K271 W272 Q277 T290 P291 P297 Y299	L256-Y294 HydrophobicContact CD1-CD2 3.58Å; L256-Y294 HydrophobicContact CD1-CE2 4.07Å; R269-Y294 WeakPolarHBondContact O-CE2 3.5Å; R269-Y294 PolarHBondContact O-OH 2.86Å; R269-Y294 VanDerWaalsContact O-OH 3.09Å; Y270-Y294 WeakPolarHBondContact CA-OH 3.35Å; Y270-Y294 PolarHBondContact O-OH 3.04Å; K271-Y294 PolarHBondContact N-OH 2.93Å; W272-Y294 VanDerWaalsContact O-CE1 3.29Å; W272-Y294 WeakPolarHBondContact O-CE1 3.31Å; W272-Y294 PolarHBondContact O-OH 2.88Å; Q277-Y294 PolarHBondContact NE2-OH 2.84Å; T290-Y294 HydrophobicContact CG2-CD1 4.39Å; P291-Y294 HydrophobicContact CB-CD2 4.16Å; P291-Y294 HydrophobicContact CG-CD2 4.13Å; P291-Y294 HydrophobicContact CG-CE2 4.43Å; P291-Y294 WeakPolarHBondContact O-CB 3.31Å; Y294-P297 HydrophobicContact CD1-CG 4.41Å; Y294-P297 HydrophobicContact CE1-CB 3.71Å; Y294-P297 HydrophobicContact CE1-CG 3.8Å; Y294-P297 HydrophobicContact CE2-CB 4.14Å; Y294-P297 VanDerWaalsContact CZ-CB 3.46Å; Y294-P297 VanDerWaalsContact OH-CB 3.23Å; Y294-P297 WeakPolarHBondContact OH-CB 3.46Å; Y294-Y299 AromaticContact CD2-CD2 3.59Å; Y294-Y299 HydrophobicContact CD2-CD2 3.59Å; Y294-Y299 AromaticContact CD2-CE2 3.46Å; Y294-Y299 HydrophobicContact CD2-CE2 3.46Å; Y294-Y299 VanDerWaalsContact CD2-CE2 3.46Å; Y294-Y299 AromaticContact CE2-CD2 3.33Å; Y294-Y299 HydrophobicContact CE2-CD2 3.33Å; Y294-Y299 AromaticContact CE2-CE2 3.65Å; Y294-Y299 HydrophobicContact CE2-CE2 3.65Å; Y294-Y299 HydrophobicContact CE2-CG 4.4Å; Y294-Y299 HydrophobicContact CG-CE2 4.14Å
295	F	96.2	Very high	93.4	Very high	135 Å²	135	49.4 Å²	49.4	59%	0.592	30%	0.295	S	S	*	.			trans	-102	-43.9	-170.9	-53.6	-61.1	0	0	0	114	E245 N293 P297 Y299	E245-F295 HydrophobicContact CG-CD2 4.1Å; N293-F295 VanDerWaalsContact CA-CE2 3.49Å; N293-F295 HydrophobicContact CB-CD2 4.21Å; N293-F295 HydrophobicContact CB-CE2 3.58Å; N293-F295 HydrophobicContact CB-CZ 4.12Å; N293-F295 VanDerWaalsContact O-CD2 3.29Å; N293-F295 WeakPolarHBondContact O-CD2 3.39Å; N293-F295 PolarHBondContact O-N 3.14Å; F295-P297 VanDerWaalsContact C-CD 3.46Å; F295-P297 WeakPolarHBondContact O-CD 3.44Å; F295-Y299 PolarHBondContact N-OH 2.87Å
296	T	97.3	Very high	94.3	Very high	50 Å²	50	47.2 Å²	47.2	31%	0.307	28%	0.284	S	S	.	.	S	Bend	trans	-127.2	60.6	-173	56.7	0	0	0	0	112.9	H241 P242 E245 Y299	H241-T296 PolarHBondContact CE1-O 2.67Å; H241-T296 VanDerWaalsContact CE1-O 3.24Å; H241-T296 PolarHBondContact ND1-O 3.01Å; H241-T296 PolarHBondContact ND1-OG1 3.29Å; P242-T296 HydrophobicContact CG-CG2 3.97Å; E245-T296 WeakPolarHBondContact OE1-CB 3.2Å; E245-T296 VanDerWaalsContact OE1-CG2 3.26Å; E245-T296 WeakPolarHBondContact OE1-CG2 3.25Å; E245-T296 PolarHBondContact OE1-OG1 3.46Å; T296-Y299 PolarHBondContact N-OH 3.07Å
297	P	97.2	Very high	95	Very high	36 Å²	36	48.4 Å²	48.4	23%	0.234	28%	0.278	C	S	.	.	S	Bend	trans	-62.6	152.5	176	29.9	-36.1	0	0	0	112.3	Y294 F295 Y299	Y294-P297 HydrophobicContact CD1-CG 4.41Å; Y294-P297 HydrophobicContact CE1-CB 3.71Å; Y294-P297 HydrophobicContact CE1-CG 3.8Å; Y294-P297 HydrophobicContact CE2-CB 4.14Å; Y294-P297 VanDerWaalsContact CZ-CB 3.46Å; Y294-P297 VanDerWaalsContact OH-CB 3.23Å; Y294-P297 WeakPolarHBondContact OH-CB 3.46Å; F295-P297 VanDerWaalsContact C-CD 3.46Å; F295-P297 WeakPolarHBondContact O-CD 3.44Å; P297-Y299 HydrophobicContact CB-CD2 4.21Å; P297-Y299 HydrophobicContact CB-CE2 4.25Å
298	P	97.7	Very high	95.9	Very high	81 Å²	81	47.8 Å²	47.8	53%	0.526	26%	0.255	S	S	.	.			cis	-82.5	146.7	6	33.4	-36	0	0	0	113.8	H241 K271	H241-P298 PolarHBondContact CE1-O 3.12Å; H241-P298 VanDerWaalsContact CE1-O 3.3Å; K271-P298 HydrophobicContact CB-CB 4.41Å
299	Y	98.2	Very high	96.6	Very high	1 Å²	1	44.3 Å²	44.3	0%	0.004	24%	0.242	C	C	.	.			trans	-103.4	-10.4	174.3	-69.9	-94.7	0	0	0	113.3	H241 E245 V249 L256 Y270 N293 Y294 F295 T296 P297	H241-Y299 AromaticContact CD2-CD1 3.85Å; H241-Y299 AromaticContact CE1-CD1 3.24Å; H241-Y299 WeakPolarHBondContact CE1-CD1 3.23Å; H241-Y299 AromaticContact CE1-CE1 3.42Å; H241-Y299 VanDerWaalsContact CE1-CE1 3.42Å; H241-Y299 WeakPolarHBondContact CE1-CE1 3.23Å; H241-Y299 AromaticContact CE1-CG 3.65Å; H241-Y299 AromaticContact CE1-CZ 3.99Å; H241-Y299 AromaticContact CG-CE1 3.98Å; H241-Y299 AromaticContact ND1-CD1 3.88Å; H241-Y299 AromaticContact ND1-CE1 3.58Å; H241-Y299 AromaticContact NE2-CD1 3.18Å; H241-Y299 WeakPolarHBondContact NE2-CD1 3.38Å; H241-Y299 AromaticContact NE2-CE1 3.69Å; H241-Y299 AromaticContact NE2-CG 3.77Å; E245-Y299 WeakPolarHBondContact OE2-CE1 3.41Å; E245-Y299 PolarHBondContact OE2-OH 3.21Å; V249-Y299 HydrophobicContact CG1-CD1 4.39Å; V249-Y299 HydrophobicContact CG1-CE1 4.14Å; L256-Y299 HydrophobicContact CD1-CD1 4.29Å; L256-Y299 HydrophobicContact CD1-CD2 4.08Å; L256-Y299 HydrophobicContact CD1-CE2 4.43Å; L256-Y299 HydrophobicContact CD1-CG 3.99Å; L256-Y299 HydrophobicContact CD2-CD1 3.97Å; L256-Y299 HydrophobicContact CD2-CE1 3.92Å; L256-Y299 HydrophobicContact CD2-CG 4.49Å; L256-Y299 HydrophobicContact CG-CD1 4.33Å; L256-Y299 HydrophobicContact CG-CG 4.45Å; Y270-Y299 PolarHBondContact O-N 2.85Å; N293-Y299 PolarHBondContact O-OH 3.46Å; Y294-Y299 AromaticContact CD2-CD2 3.59Å; Y294-Y299 HydrophobicContact CD2-CD2 3.59Å; Y294-Y299 AromaticContact CD2-CE2 3.46Å; Y294-Y299 HydrophobicContact CD2-CE2 3.46Å; Y294-Y299 VanDerWaalsContact CD2-CE2 3.46Å; Y294-Y299 AromaticContact CE2-CD2 3.33Å; Y294-Y299 HydrophobicContact CE2-CD2 3.33Å; Y294-Y299 AromaticContact CE2-CE2 3.65Å; Y294-Y299 HydrophobicContact CE2-CE2 3.65Å; Y294-Y299 HydrophobicContact CE2-CG 4.4Å; Y294-Y299 HydrophobicContact CG-CE2 4.14Å; F295-Y299 PolarHBondContact N-OH 2.87Å; T296-Y299 PolarHBondContact N-OH 3.07Å; P297-Y299 HydrophobicContact CB-CD2 4.21Å; P297-Y299 HydrophobicContact CB-CE2 4.25Å
300	L	98.3	Very high	97	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.042	23%	0.233	C	C	.	.			trans	-129	139.1	-175.6	-171.1	71.8	0	0	0	109.8	L255 L259 L262 A264 D267 Y270 K271	L255-L300 HydrophobicContact CD2-CB 4.23Å; L255-L300 HydrophobicContact CD2-CD1 3.91Å; L259-L300 HydrophobicContact CD2-CD1 3.94Å; L259-L300 HydrophobicContact CD2-CD2 3.83Å; L262-L300 VanDerWaalsContact C-CD1 3.44Å; L262-L300 WeakPolarHBondContact O-CD1 3.49Å; A264-L300 HydrophobicContact CB-CD2 4.19Å; D267-L300 HydrophobicContact CB-CD2 3.38Å; Y270-L300 HydrophobicContact CD2-CD2 4.29Å; K271-L300 HydrophobicContact CG-CB 4.35Å
301	T	98.5	Very high	97.2	Very high	33 Å²	33	44.5 Å²	44.5	20%	0.202	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-120	151.8	177.3	-175.8	0	0	0	0	111.2	R263 A264 E303	R263-T301 VanDerWaalsContact CA-O 3.26Å; R263-T301 WeakPolarHBondContact CA-O 3.28Å; R263-T301 HydrophobicContact CB-CG2 4.42Å; R263-T301 WeakPolarHBondContact CB-O 3.49Å; R263-T301 HydrophobicContact CG-CG2 3.87Å; A264-T301 PolarHBondContact N-O 3.22Å; A264-T301 VanDerWaalsContact N-O 3.1Å; T301-E303 HydrophobicContact CG2-CB 4.49Å; T301-E303 PolarHBondContact OG1-N 3.37Å; T301-E303 VanDerWaalsContact OG1-N 3.07Å
302	S	98.7	Very high	97.2	Very high	5 Å²	5	47.3 Å²	47.3	4%	0.035	24%	0.24	C	C	.	.			trans	-98.2	7.8	168.8	48.7	0	0	0	0	112.4	F151 D155 L199 P304	F151-S302 WeakPolarHBondContact CB-O 3.24Å; D155-S302 WeakPolarHBondContact CB-OG 3.43Å; D155-S302 VanDerWaalsContact CG-CB 3.44Å; D155-S302 WeakPolarHBondContact OD2-CB 3.45Å; D155-S302 PolarHBondContact OD2-OG 3.26Å; L199-S302 VanDerWaalsContact CD1-C 3.46Å; L199-S302 WeakPolarHBondContact CD1-O 3.23Å; S302-P304 WeakPolarHBondContact O-CD 3.18Å
303	E	98.5	Very high	97.2	Very high	64 Å²	64	49.7 Å²	49.7	30%	0.299	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-71	122.9	174.9	-170.5	178.9	153.7	0	0	111.2	K148 L152 L199 R263 T301	K148-E303 HydrophobicContact CB-CG 4.26Å; K148-E303 HydrophobicContact CD-CG 4.29Å; K148-E303 VanDerWaalsContact CD-OE1 3.31Å; K148-E303 WeakPolarHBondContact CD-OE1 3.44Å; K148-E303 VanDerWaalsContact CE-OE1 3.27Å; K148-E303 WeakPolarHBondContact CE-OE1 3.38Å; K148-E303 HydrophobicContact CG-CG 4.04Å; K148-E303 IonicContact NZ-OE1 2.88Å; K148-E303 PolarHBondContact NZ-OE1 3.16Å; L152-E303 HydrophobicContact CD1-CB 4.42Å; L152-E303 HydrophobicContact CD1-CG 4.42Å; L152-E303 HydrophobicContact CD2-CB 4.02Å; L152-E303 HydrophobicContact CG-CB 4.31Å; L199-E303 WeakPolarHBondContact CD1-O 3.39Å; R263-E303 WeakPolarHBondContact CD-O 3.43Å; R263-E303 PolarHBondContact NH1-O 2.96Å; T301-E303 HydrophobicContact CG2-CB 4.49Å; T301-E303 PolarHBondContact OG1-N 3.37Å; T301-E303 VanDerWaalsContact OG1-N 3.07Å
304	P	98.5	Very high	97.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-81.2	158.1	179.1	33.8	-37.6	0	0	0	112.5	K148 F151 A197 Q198 S302 V306	K148-P304 HydrophobicContact CG-CG 4.17Å; F151-P304 VanDerWaalsContact CB-CD 3.49Å; F151-P304 HydrophobicContact CB-CG 3.91Å; F151-P304 HydrophobicContact CD1-CB 3.76Å; F151-P304 HydrophobicContact CD1-CG 3.75Å; F151-P304 HydrophobicContact CD2-CB 4.46Å; F151-P304 HydrophobicContact CD2-CG 3.82Å; F151-P304 HydrophobicContact CE1-CB 3.82Å; F151-P304 HydrophobicContact CE1-CG 4.18Å; F151-P304 HydrophobicContact CE2-CB 4.48Å; F151-P304 HydrophobicContact CE2-CG 4.22Å; F151-P304 HydrophobicContact CG-CB 4.12Å; F151-P304 HydrophobicContact CG-CG 3.56Å; F151-P304 HydrophobicContact CZ-CB 4.19Å; F151-P304 HydrophobicContact CZ-CG 4.4Å; A197-P304 HydrophobicContact CB-CB 4.43Å; Q198-P304 CarbonylContact O-C 3.38Å; Q198-P304 WeakPolarHBondContact O-CA 3.47Å; Q198-P304 VanDerWaalsContact O-CB 3.26Å; Q198-P304 WeakPolarHBondContact O-CB 3.15Å; S302-P304 WeakPolarHBondContact O-CD 3.18Å; P304-V306 HydrophobicContact CB-CG2 4.38Å; P304-V306 HydrophobicContact CG-CG2 4.01Å
305	S	98.3	Very high	97.1	Very high	24 Å²	24	50.1 Å²	50.1	17%	0.168	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	127.4	158.2	-66.4	0	0	0	0	108.3	Q198 H226 R263	Q198-S305 PolarHBondContact N-O 2.85Å; Q198-S305 PolarHBondContact O-N 2.95Å; H226-S305 WeakPolarHBondContact NE2-CB 3.49Å; H226-S305 PolarHBondContact NE2-OG 3.3Å; R263-S305 PolarHBondContact NH1-OG 2.81Å
306	V	98.3	Very high	97	Very high	15 Å²	15	45.3 Å²	45.3	9%	0.091	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	108.3	-176.7	-167.5	0	0	0	0	111.1	R144 F147 K148 Y195 I196 A197 P304	R144-V306 HydrophobicContact CB-CB 3.95Å; R144-V306 HydrophobicContact CB-CG1 4.14Å; R144-V306 WeakPolarHBondContact CD-O 3.45Å; R144-V306 HydrophobicContact CG-CB 4.07Å; R144-V306 HydrophobicContact CG-CG1 3.95Å; R144-V306 PolarHBondContact NE-O 2.79Å; F147-V306 HydrophobicContact CB-CG1 4.48Å; F147-V306 HydrophobicContact CB-CG2 4.03Å; F147-V306 HydrophobicContact CD2-CG1 4.1Å; K148-V306 HydrophobicContact CG-CG2 4.1Å; Y195-V306 HydrophobicContact CD1-CG1 4.31Å; I196-V306 CarbonylContact O-C 3.44Å; I196-V306 WeakPolarHBondContact O-CA 3.3Å; A197-V306 HydrophobicContact CB-CG2 4.33Å; P304-V306 HydrophobicContact CB-CG2 4.38Å; P304-V306 HydrophobicContact CG-CG2 4.01Å
307	Y	98.2	Very high	97	Very high	61 Å²	61	42.9 Å²	42.9	24%	0.239	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	148.2	179.5	-54.3	-86.2	0	0	0	110.2	Y195 I196 Q198 L222 T223 H224	Y195-Y307 CarbonylContact C-O 3.54Å; Y195-Y307 WeakPolarHBondContact CA-O 3.39Å; I196-Y307 PolarHBondContact N-O 3.07Å; I196-Y307 PolarHBondContact O-N 3.2Å; Q198-Y307 HydrophobicContact CB-CD2 4.42Å; Q198-Y307 HydrophobicContact CB-CE2 3.91Å; L222-Y307 WeakPolarHBondContact O-CD2 3.49Å; T223-Y307 HydrophobicContact CG2-CD2 4.1Å; T223-Y307 HydrophobicContact CG2-CE2 4.2Å; H224-Y307 PolarHBondContact N-OH 2.89Å
308	Y	98	Very high	97	Very high	86 Å²	86	41.2 Å²	41.2	34%	0.337	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137	173.4	163.9	-106.6	0	0	0	109	N193 L194 Y195	N193-Y308 HydrophobicContact CB-CE2 4.06Å; N193-Y308 PolarHBondContact OD1-OH 3.04Å; L194-Y308 WeakPolarHBondContact O-CA 3.37Å; Y195-Y308 HydrophobicContact CD1-CD2 4.12Å; Y195-Y308 HydrophobicContact CD1-CG 4.45Å; Y195-Y308 HydrophobicContact CD2-CD2 4.06Å; Y195-Y308 AromaticContact CE1-CD2 3.67Å; Y195-Y308 HydrophobicContact CE1-CD2 3.67Å; Y195-Y308 AromaticContact CE1-CG 3.98Å; Y195-Y308 HydrophobicContact CE1-CG 3.98Å; Y195-Y308 AromaticContact CE2-CD2 3.61Å; Y195-Y308 HydrophobicContact CE2-CD2 3.61Å; Y195-Y308 HydrophobicContact CE2-CE2 4.04Å; Y195-Y308 HydrophobicContact CG-CD2 4.31Å; Y195-Y308 AromaticContact CZ-CD2 3.39Å; Y195-Y308 AromaticContact CZ-CE2 4Å
309	Y	97.7	Very high	97.1	Very high	42 Å²	42	37.3 Å²	37.3	17%	0.165	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	138.7	176.1	-175.8	-90.6	0	0	0	109.4	L194 L206 R220 L222 L311 D315	L194-Y309 WeakPolarHBondContact CB-O 3.36Å; L194-Y309 PolarHBondContact N-O 3.07Å; L194-Y309 PolarHBondContact O-N 3.22Å; L194-Y309 VanDerWaalsContact O-O 3.08Å; L206-Y309 HydrophobicContact CD2-CD1 3.97Å; L206-Y309 HydrophobicContact CD2-CE1 3.4Å; L206-Y309 VanDerWaalsContact CD2-CE1 3.4Å; L206-Y309 HydrophobicContact CD2-CE2 4.4Å; R220-Y309 PolarHBondContact NH1-OH 3.3Å; L222-Y309 HydrophobicContact CD2-CD2 4.2Å; L222-Y309 HydrophobicContact CD2-CG 4.35Å; Y309-L311 HydrophobicContact CD1-CD2 4.2Å; Y309-L311 HydrophobicContact CE1-CD2 4.21Å; Y309-D315 VanDerWaalsContact CE1-OD2 3.3Å; Y309-D315 WeakPolarHBondContact CE1-OD2 3.43Å; Y309-D315 PolarHBondContact OH-OD1 3.07Å; Y309-D315 PolarHBondContact OH-OD2 3.11Å
310	R	97.2	Very high	97.1	Very high	162 Å²	162	37.3 Å²	37.3	61%	0.611	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	112.8	175.3	-172.2	175.5	-178.1	174.4	0.5	109.1	R192	R192-R310 HydrophobicContact CB-CG 4.47Å; R192-R310 CarbonylContact O-C 3.58Å; R192-R310 WeakPolarHBondContact O-CA 3.25Å
311	L	96.6	Very high	97.1	Very high	13 Å²	13	36.9 Å²	36.9	7%	0.068	17%	0.172	C	C	.	.			trans	-60.8	140.4	177.3	-64.6	169.8	0	0	0	111.4	V189 R192 L194 L206 Y309 D315 F429	V189-L311 HydrophobicContact CG1-CD1 4.37Å; R192-L311 HydrophobicContact CB-CB 4.4Å; R192-L311 PolarHBondContact O-N 3.43Å; L194-L311 HydrophobicContact CB-CD1 4.4Å; L194-L311 HydrophobicContact CB-CD2 4.46Å; L194-L311 HydrophobicContact CB-CG 4.15Å; L194-L311 HydrophobicContact CD2-CD2 4.17Å; L206-L311 HydrophobicContact CD1-CD2 4.1Å; Y309-L311 HydrophobicContact CD1-CD2 4.2Å; Y309-L311 HydrophobicContact CE1-CD2 4.21Å; L311-D315 WeakPolarHBondContact CA-OD2 3.47Å; L311-D315 HydrophobicContact CD2-CB 3.86Å; L311-F429 HydrophobicContact CD1-CD1 3.77Å; L311-F429 HydrophobicContact CD1-CD2 4.27Å; L311-F429 HydrophobicContact CD1-CE1 3.68Å; L311-F429 HydrophobicContact CD1-CE2 4.18Å; L311-F429 HydrophobicContact CD1-CG 4.08Å; L311-F429 HydrophobicContact CD1-CZ 3.9Å; L311-F429 HydrophobicContact CD2-CD2 3.89Å; L311-F429 HydrophobicContact CD2-CE2 3.69Å; L311-F429 HydrophobicContact CD2-CG 4.46Å; L311-F429 HydrophobicContact CD2-CZ 4.11Å
312	T	94.2	Very high	97.1	Very high	64 Å²	64	35.3 Å²	35.3	39%	0.393	16%	0.162	S	C	.	.			trans	-120.4	171.2	177.8	70.5	0	0	0	0	109.4	N314 D315	T312-N314 PolarHBondContact O-N 3.12Å; T312-N314 PolarHBondContact OG1-N 3.07Å; T312-D315 WeakPolarHBondContact CA-OD2 3.35Å; T312-D315 WeakPolarHBondContact CB-OD2 3.5Å; T312-D315 PolarHBondContact N-OD2 3.33Å; T312-D315 PolarHBondContact O-N 3.46Å; T312-D315 VanDerWaalsContact O-N 3.15Å; T312-D315 VanDerWaalsContact OG1-CG 3.28Å; T312-D315 PolarHBondContact OG1-OD2 2.75Å
313	E	91.7	Very high	97	Very high	96 Å²	96	36.3 Å²	36.3	45%	0.449	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-21	179	-70.8	158.5	-156	0	0	112.9	R192 D315 K316 V432	R192-E313 IonicContact NH2-OE1 3.42Å; R192-E313 PolarHBondContact NH2-OE1 3.45Å; E313-D315 VanDerWaalsContact C-N 3.34Å; E313-K316 WeakPolarHBondContact O-CE 3.05Å; E313-K316 PolarHBondContact O-NZ 3.5Å; E313-V432 HydrophobicContact CG-CB 3.99Å; E313-V432 WeakPolarHBondContact CG-O 3.37Å
314	N	94	Very high	96.9	Very high	76 Å²	76	33.3 Å²	33.3	41%	0.406	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-19	177.2	-68.8	-2.7	0	0	0	112.5	V208 N209 T312 K316	V208-N314 HydrophobicContact CG1-CB 3.89Å; N209-N314 PolarHBondContact N-O 3.07Å; N209-N314 VanDerWaalsContact O-CB 3.27Å; N209-N314 WeakPolarHBondContact O-CB 3.31Å; T312-N314 PolarHBondContact O-N 3.12Å; T312-N314 PolarHBondContact OG1-N 3.07Å; N314-K316 PolarHBondContact O-N 3.12Å
315	D	95.5	Very high	96.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	103.3	-177.3	-56.7	-51.2	0	0	0	109.3	L206 V208 Y309 L311 T312 E313	L206-D315 HydrophobicContact CD1-CB 4.29Å; L206-D315 HydrophobicContact CD2-CB 4.07Å; L206-D315 VanDerWaalsContact CD2-OD1 3.26Å; L206-D315 WeakPolarHBondContact CD2-OD1 3.33Å; L206-D315 HydrophobicContact CG-CB 4.37Å; V208-D315 WeakPolarHBondContact CG2-OD1 3.45Å; Y309-D315 VanDerWaalsContact CE1-OD2 3.3Å; Y309-D315 WeakPolarHBondContact CE1-OD2 3.43Å; Y309-D315 PolarHBondContact OH-OD1 3.07Å; Y309-D315 PolarHBondContact OH-OD2 3.11Å; L311-D315 WeakPolarHBondContact CA-OD2 3.47Å; L311-D315 HydrophobicContact CD2-CB 3.86Å; T312-D315 WeakPolarHBondContact CA-OD2 3.35Å; T312-D315 WeakPolarHBondContact CB-OD2 3.5Å; T312-D315 PolarHBondContact N-OD2 3.33Å; T312-D315 PolarHBondContact O-N 3.46Å; T312-D315 VanDerWaalsContact O-N 3.15Å; T312-D315 VanDerWaalsContact OG1-CG 3.28Å; T312-D315 PolarHBondContact OG1-OD2 2.75Å; E313-D315 VanDerWaalsContact C-N 3.34Å
316	K	94.7	Very high	96.8	Very high	33 Å²	33	33.8 Å²	33.8	14%	0.143	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-32.4	-169.3	-55.6	-52.2	-172.1	179.4	0	113.7	G207 N209 W217 E313 N314 M342 F429 S431	G207-K316 PolarHBondContact O-N 3.02Å; N209-K316 HydrophobicContact CB-CG 3.86Å; W217-K316 HydrophobicContact CH2-CB 3.86Å; W217-K316 HydrophobicContact CH2-CG 3.64Å; W217-K316 HydrophobicContact CZ3-CB 3.82Å; W217-K316 HydrophobicContact CZ3-CG 3.76Å; E313-K316 WeakPolarHBondContact O-CE 3.05Å; E313-K316 PolarHBondContact O-NZ 3.5Å; N314-K316 PolarHBondContact O-N 3.12Å; K316-M342 HydrophobicContact CB-CE 4.3Å; K316-F429 PolarHBondContact O-N 3.45Å; K316-S431 PolarHBondContact NZ-OG 3.42Å
317	F	96.5	Very high	96.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	160.5	178.7	58.7	-93.1	0	0	0	112.8	L206 G207 W217 V319 V335 V338 M342 V426 I427 Y428	L206-F317 WeakPolarHBondContact CD1-O 3.38Å; G207-F317 PolarHBondContact N-O 2.95Å; W217-F317 HydrophobicContact CE3-CE1 4.01Å; W217-F317 HydrophobicContact CE3-CZ 4.44Å; W217-F317 AromaticContact CH2-CE1 3.98Å; W217-F317 HydrophobicContact CH2-CE1 3.98Å; W217-F317 HydrophobicContact CZ3-CD1 4.09Å; W217-F317 AromaticContact CZ3-CE1 3.4Å; W217-F317 HydrophobicContact CZ3-CE1 3.4Å; W217-F317 HydrophobicContact CZ3-CZ 4.24Å; F317-V319 HydrophobicContact CD2-CG2 3.9Å; F317-V319 HydrophobicContact CE2-CG2 3.89Å; F317-V335 HydrophobicContact CE2-CB 4.48Å; F317-V335 HydrophobicContact CE2-CG2 4.07Å; F317-V335 HydrophobicContact CZ-CB 4.21Å; F317-V335 HydrophobicContact CZ-CG1 3.9Å; F317-V335 HydrophobicContact CZ-CG2 4.23Å; F317-V338 HydrophobicContact CD1-CG1 3.63Å; F317-V338 HydrophobicContact CD2-CB 4.15Å; F317-V338 HydrophobicContact CD2-CG1 3.63Å; F317-V338 HydrophobicContact CD2-CG2 4.38Å; F317-V338 HydrophobicContact CE1-CB 3.96Å; F317-V338 HydrophobicContact CE1-CG1 3.53Å; F317-V338 HydrophobicContact CE2-CB 3.55Å; F317-V338 HydrophobicContact CE2-CG1 3.54Å; F317-V338 HydrophobicContact CE2-CG2 3.9Å; F317-V338 HydrophobicContact CG-CG1 3.67Å; F317-V338 HydrophobicContact CZ-CB 3.45Å; F317-V338 VanDerWaalsContact CZ-CB 3.45Å; F317-V338 HydrophobicContact CZ-CG1 3.49Å; F317-V338 VanDerWaalsContact CZ-CG1 3.49Å; F317-V338 HydrophobicContact CZ-CG2 4.28Å; F317-M342 HydrophobicContact CD1-SD 3.55Å; F317-M342 VanDerWaalsContact CD1-SD 3.55Å; F317-M342 HydrophobicContact CE1-SD 3.88Å; F317-V426 HydrophobicContact CB-CG1 4.41Å; F317-V426 HydrophobicContact CD2-CG1 4.42Å; F317-I427 CarbonylContact C-O 3.59Å; F317-I427 WeakPolarHBondContact CA-O 3.14Å; F317-I427 VanDerWaalsContact CB-O 3.24Å; F317-I427 WeakPolarHBondContact CB-O 3.34Å; F317-Y428 HydrophobicContact CB-CD1 3.86Å; F317-Y428 HydrophobicContact CB-CE1 4.27Å
318	L	98.3	Very high	96.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.9	170.6	-177	71.8	0	0	0	109.3	A187 L194 I196 A204 L206 L222 V426 I427 F429	A187-L318 HydrophobicContact CB-CD2 3.76Å; L194-L318 HydrophobicContact CD1-CD2 4.15Å; L194-L318 HydrophobicContact CD2-CD1 4.4Å; L194-L318 HydrophobicContact CD2-CD2 4.33Å; I196-L318 HydrophobicContact CD1-CD2 3.89Å; A204-L318 HydrophobicContact CB-CD1 4.27Å; L206-L318 HydrophobicContact CB-CD1 4.29Å; L206-L318 HydrophobicContact CD1-CB 4.35Å; L206-L318 HydrophobicContact CD1-CD1 4.15Å; L222-L318 HydrophobicContact CD1-CD1 3.73Å; L318-V426 CarbonylContact O-C 3.38Å; L318-V426 WeakPolarHBondContact O-CA 3.33Å; L318-I427 HydrophobicContact CB-CB 4.37Å; L318-I427 HydrophobicContact CD2-CD1 4.15Å; L318-I427 PolarHBondContact N-O 3.1Å; L318-I427 PolarHBondContact O-N 2.52Å; L318-F429 HydrophobicContact CB-CE2 3.89Å; L318-F429 HydrophobicContact CB-CZ 4.02Å
319	V	98.6	Very high	96.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.5	168.2	-173.8	0	0	0	0	108.3	A204 I205 F317 W326 V338 L386 V424 F425	A204-V319 CarbonylContact C-O 3.6Å; A204-V319 WeakPolarHBondContact CA-O 3.14Å; I205-V319 PolarHBondContact N-O 3.49Å; I205-V319 PolarHBondContact O-N 2.9Å; F317-V319 HydrophobicContact CD2-CG2 3.9Å; F317-V319 HydrophobicContact CE2-CG2 3.89Å; V319-W326 HydrophobicContact CB-CH2 4.1Å; V319-W326 HydrophobicContact CB-CZ2 4.3Å; V319-W326 HydrophobicContact CG1-CH2 3.73Å; V319-W326 HydrophobicContact CG1-CZ2 3.81Å; V319-V338 HydrophobicContact CG2-CG2 4.03Å; V319-L386 HydrophobicContact CG1-CD1 4.21Å; V319-V424 HydrophobicContact CG1-CG1 4.16Å; V319-F425 VanDerWaalsContact CA-O 3.31Å; V319-F425 WeakPolarHBondContact CA-O 3.45Å
320	L	98.3	Very high	96.2	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.7	176.8	172.9	76.8	0	0	0	107.4	F53 V55 C185 A203 A204 V424 F425	F53-L320 HydrophobicContact CB-CD2 4.43Å; V55-L320 HydrophobicContact CB-CG 4.38Å; V55-L320 HydrophobicContact CG2-CD2 3.94Å; V55-L320 HydrophobicContact CG2-CG 3.8Å; C185-L320 HydrophobicContact CB-CD1 3.65Å; C185-L320 WeakPolarHBondContact SG-CD1 3.44Å; A203-L320 WeakPolarHBondContact O-CA 3.25Å; A204-L320 HydrophobicContact CB-CD1 4.06Å; L320-V424 CarbonylContact O-C 3.49Å; L320-V424 WeakPolarHBondContact O-CA 3.37Å; L320-F425 HydrophobicContact CB-CB 4.16Å; L320-F425 HydrophobicContact CD2-CD2 4.14Å; L320-F425 PolarHBondContact N-O 3.39Å; L320-F425 PolarHBondContact O-N 2.94Å
321	A	98.5	Very high	96.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	158.5	-177.9	0	0	0	0	0	114.1	S202 A203 F325 W326 T423 V424	S202-A321 WeakPolarHBondContact CA-O 3.29Å; S202-A321 WeakPolarHBondContact CB-O 3.24Å; A203-A321 PolarHBondContact N-O 2.9Å; A203-A321 PolarHBondContact O-N 2.94Å; A321-F325 HydrophobicContact CB-CB 3.92Å; A321-F325 HydrophobicContact CB-CD1 3.69Å; A321-F325 HydrophobicContact CB-CG 4.09Å; A321-W326 HydrophobicContact CB-CZ2 4.13Å; A321-W326 PolarHBondContact O-NE1 3.39Å; A321-T423 WeakPolarHBondContact CA-O 3.29Å; A321-T423 VanDerWaalsContact CB-O 3.23Å; A321-T423 WeakPolarHBondContact CB-O 3.42Å; A321-V424 HydrophobicContact CB-CB 4.3Å; A321-V424 HydrophobicContact CB-CG1 4.35Å; A321-V424 HydrophobicContact CB-CG2 3.88Å
322	S	98.2	Very high	96.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.			trans	-69.6	163.4	169.3	47.2	0	0	0	0	111.3	D38 G324 F325 W326 T423	D38-S322 PolarHBondContact OD2-OG 3.06Å; S322-G324 PolarHBondContact O-N 2.93Å; S322-F325 PolarHBondContact O-N 3.36Å; S322-F325 VanDerWaalsContact O-N 3.16Å; S322-W326 VanDerWaalsContact O-CD1 3.24Å; S322-W326 PolarHBondContact O-N 2.81Å; S322-T423 PolarHBondContact N-O 2.91Å; S322-T423 VanDerWaalsContact N-O 3.11Å; S322-T423 PolarHBondContact OG-N 2.9Å
323	D	97	Very high	96.2	Very high	26 Å²	26	39.5 Å²	39.5	14%	0.139	19%	0.192	C	C	.	.	H	α-helix	trans	-57.9	-33.7	179.2	67.8	-20.6	0	0	0	111.7	F325 W326 D327	D323-F325 CarbonylContact O-C 3.56Å; D323-F325 PolarHBondContact O-N 2.69Å; D323-W326 CarbonylContact O-C 3.5Å; D323-W326 PolarHBondContact O-N 3.23Å; D323-D327 WeakPolarHBondContact O-CB 3.31Å; D323-D327 PolarHBondContact O-N 3.45Å
324	G	96.3	Very high	96.5	Very high	1 Å²	1	35 Å²	35	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-52.2	-30.4	176	0	0	0	0	0	114.7	S322 D420 D421 M422	S322-G324 PolarHBondContact O-N 2.93Å; G324-D420 VanDerWaalsContact CA-CB 3.46Å; G324-D421 WeakPolarHBondContact CA-O 3.4Å; G324-M422 WeakPolarHBondContact O-CE 3.31Å; G324-M422 WeakPolarHBondContact O-CG 3.48Å
325	F	97.3	Very high	96.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-83.6	-46.7	171.1	174	-103.4	0	0	0	112.4	A321 S322 D323 D327 M328 V329 A334 L386 A390 V424	A321-F325 HydrophobicContact CB-CB 3.92Å; A321-F325 HydrophobicContact CB-CD1 3.69Å; A321-F325 HydrophobicContact CB-CG 4.09Å; S322-F325 PolarHBondContact O-N 3.36Å; S322-F325 VanDerWaalsContact O-N 3.16Å; D323-F325 CarbonylContact O-C 3.56Å; D323-F325 PolarHBondContact O-N 2.69Å; F325-D327 VanDerWaalsContact C-N 3.3Å; F325-D327 PolarHBondContact O-N 2.88Å; F325-M328 PolarHBondContact O-N 2.65Å; F325-V329 HydrophobicContact CD2-CG2 4.22Å; F325-V329 HydrophobicContact CE1-CB 4.21Å; F325-V329 HydrophobicContact CE1-CG1 4.49Å; F325-V329 HydrophobicContact CE2-CB 3.9Å; F325-V329 HydrophobicContact CE2-CG1 4.34Å; F325-V329 HydrophobicContact CE2-CG2 3.64Å; F325-V329 HydrophobicContact CZ-CB 3.72Å; F325-V329 HydrophobicContact CZ-CG1 3.84Å; F325-V329 HydrophobicContact CZ-CG2 3.98Å; F325-V329 PolarHBondContact O-N 3.29Å; F325-V329 VanDerWaalsContact O-N 3.1Å; F325-A334 HydrophobicContact CE1-CB 4.14Å; F325-A334 HydrophobicContact CZ-CB 4.05Å; F325-L386 HydrophobicContact CE2-CB 3.78Å; F325-L386 HydrophobicContact CZ-CB 4.04Å; F325-L386 HydrophobicContact CZ-CD1 4.31Å; F325-L386 HydrophobicContact CZ-CD2 4.23Å; F325-L386 HydrophobicContact CZ-CG 4.43Å; F325-A390 HydrophobicContact CD2-CB 4.02Å; F325-A390 HydrophobicContact CE2-CB 4.19Å; F325-V424 HydrophobicContact CB-CG2 3.89Å; F325-V424 HydrophobicContact CD1-CG2 4.32Å; F325-V424 HydrophobicContact CD2-CG2 3.86Å; F325-V424 HydrophobicContact CG-CG2 3.74Å
326	W	97.4	Very high	96.6	Very high	34 Å²	34	38.6 Å²	38.6	13%	0.129	18%	0.179	C	C	.	.	H	α-helix	trans	-68.8	-26.7	-174.1	-65.9	120.7	0	0	0	113.7	A203 I205 V319 A321 S322 D323 M328 A334	A203-W326 HydrophobicContact CB-CG 4.34Å; A203-W326 PolarHBondContact O-NE1 2.79Å; I205-W326 HydrophobicContact CB-CH2 3.81Å; I205-W326 HydrophobicContact CB-CZ2 4.27Å; I205-W326 HydrophobicContact CG1-CE3 4.45Å; I205-W326 HydrophobicContact CG1-CH2 3.23Å; I205-W326 HydrophobicContact CG1-CZ2 3.58Å; I205-W326 HydrophobicContact CG1-CZ3 3.72Å; V319-W326 HydrophobicContact CB-CH2 4.1Å; V319-W326 HydrophobicContact CB-CZ2 4.3Å; V319-W326 HydrophobicContact CG1-CH2 3.73Å; V319-W326 HydrophobicContact CG1-CZ2 3.81Å; A321-W326 HydrophobicContact CB-CZ2 4.13Å; A321-W326 PolarHBondContact O-NE1 3.39Å; S322-W326 VanDerWaalsContact O-CD1 3.24Å; S322-W326 PolarHBondContact O-N 2.81Å; D323-W326 CarbonylContact O-C 3.5Å; D323-W326 PolarHBondContact O-N 3.23Å; W326-M328 PolarHBondContact O-N 3.49Å; W326-A334 HydrophobicContact CH2-CB 4.25Å; W326-A334 HydrophobicContact CZ3-CB 3.95Å
327	D	94.7	Very high	96.5	Very high	120 Å²	120	37.9 Å²	37.9	64%	0.642	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.8	171	-79	-2.5	0	0	0	112.4	D323 F325	D323-D327 WeakPolarHBondContact O-CB 3.31Å; D323-D327 PolarHBondContact O-N 3.45Å; F325-D327 VanDerWaalsContact C-N 3.3Å; F325-D327 PolarHBondContact O-N 2.88Å
328	M	93.4	Very high	96.4	Very high	67 Å²	67	37.9 Å²	37.9	33%	0.33	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-21.4	-174.3	-59	-62.3	-68.5	0	0	113.3	F325 W326 A390 M422	F325-M328 PolarHBondContact O-N 2.65Å; W326-M328 PolarHBondContact O-N 3.49Å; M328-A390 HydrophobicContact CB-CB 3.99Å; M328-A390 WeakPolarHBondContact CE-O 3.44Å; M328-M422 HydrophobicContact CG-CE 3.78Å
329	V	95.3	Very high	96.2	Very high	3 Å²	3	38 Å²	38	2%	0.018	18%	0.178	C	C	.	.	S	Bend	trans	-137.9	116.5	-171.3	-174.3	0	0	0	0	111.5	F325 M333 A334 Y389 A390	F325-V329 HydrophobicContact CD2-CG2 4.22Å; F325-V329 HydrophobicContact CE1-CB 4.21Å; F325-V329 HydrophobicContact CE1-CG1 4.49Å; F325-V329 HydrophobicContact CE2-CB 3.9Å; F325-V329 HydrophobicContact CE2-CG1 4.34Å; F325-V329 HydrophobicContact CE2-CG2 3.64Å; F325-V329 HydrophobicContact CZ-CB 3.72Å; F325-V329 HydrophobicContact CZ-CG1 3.84Å; F325-V329 HydrophobicContact CZ-CG2 3.98Å; F325-V329 PolarHBondContact O-N 3.29Å; F325-V329 VanDerWaalsContact O-N 3.1Å; V329-M333 HydrophobicContact CG1-CB 4.08Å; V329-M333 HydrophobicContact CG1-CG 4.18Å; V329-A334 HydrophobicContact CG1-CB 4.09Å; V329-Y389 HydrophobicContact CG1-CD1 4.39Å; V329-Y389 HydrophobicContact CG1-CE1 4.44Å; V329-Y389 HydrophobicContact CG2-CD1 3.95Å; V329-Y389 HydrophobicContact CG2-CE1 4.37Å; V329-A390 HydrophobicContact CG2-CB 3.65Å
330	F	95.4	Very high	95.8	Very high	165 Å²	165	40.1 Å²	40.1	72%	0.724	19%	0.189	S	C	*	.			trans	-64.6	145.9	173.8	-62.6	-78.7	0	0	0	112.5	E332 M333 A334	F330-E332 VanDerWaalsContact C-N 3.34Å; F330-E332 PolarHBondContact O-N 2.98Å; F330-M333 WeakPolarHBondContact O-CB 3.3Å; F330-M333 PolarHBondContact O-N 2.83Å; F330-A334 PolarHBondContact O-N 3.49Å; F330-A334 VanDerWaalsContact O-N 3.11Å
331	P	97.5	Very high	95.5	Very high	30 Å²	30	40.3 Å²	40.3	20%	0.195	19%	0.19	C	C	.	.	H	α-helix	trans	-50.3	-44.5	-176.8	-31.5	37.4	0	0	0	115.5	I205 A219 M333 A334 V335	I205-P331 HydrophobicContact CD1-CB 4.08Å; I205-P331 HydrophobicContact CD1-CG 4.06Å; I205-P331 HydrophobicContact CG1-CB 4.13Å; I205-P331 HydrophobicContact CG1-CG 4.37Å; I205-P331 HydrophobicContact CG2-CB 4.06Å; A219-P331 HydrophobicContact CB-CB 3.79Å; A219-P331 WeakPolarHBondContact CB-O 3.44Å; P331-M333 VanDerWaalsContact C-N 3.29Å; P331-M333 PolarHBondContact O-N 3.49Å; P331-A334 PolarHBondContact O-N 3.32Å; P331-V335 PolarHBondContact O-N 3.2Å
332	E	96.5	Very high	95	Very high	123 Å²	123	43 Å²	43	58%	0.575	20%	0.203	S	C	*	.	H	α-helix	trans	-64	-36.9	-179.1	-65	70.5	-155.1	0	0	111.5	A219 F330 R336	A219-E332 HydrophobicContact CB-CG 4.27Å; F330-E332 VanDerWaalsContact C-N 3.34Å; F330-E332 PolarHBondContact O-N 2.98Å; E332-R336 WeakPolarHBondContact O-CB 3.46Å; E332-R336 PolarHBondContact O-N 3.05Å
333	M	95.5	Very high	94.4	Very high	55 Å²	55	45.3 Å²	45.3	27%	0.271	22%	0.215	S	C	.	.	H	α-helix	trans	-68.5	-44.6	176.4	-175.2	58	70.8	0	0	110.8	V329 F330 P331 V335 R336 L337 Y389	V329-M333 HydrophobicContact CG1-CB 4.08Å; V329-M333 HydrophobicContact CG1-CG 4.18Å; F330-M333 WeakPolarHBondContact O-CB 3.3Å; F330-M333 PolarHBondContact O-N 2.83Å; P331-M333 VanDerWaalsContact C-N 3.29Å; P331-M333 PolarHBondContact O-N 3.49Å; M333-V335 VanDerWaalsContact C-N 3.34Å; M333-V335 PolarHBondContact O-N 3.34Å; M333-R336 PolarHBondContact O-N 3.12Å; M333-L337 HydrophobicContact CG-CD1 4.01Å; M333-L337 HydrophobicContact CG-CG 4.38Å; M333-L337 VanDerWaalsContact O-CG 3.29Å; M333-L337 WeakPolarHBondContact O-CG 3.3Å; M333-L337 PolarHBondContact O-N 2.87Å; M333-L337 HydrophobicContact SD-CD1 4.47Å; M333-L337 HydrophobicContact SD-CG 4.28Å; M333-Y389 WeakPolarHBondContact CE-OH 3.33Å; M333-Y389 HydrophobicContact CG-CD1 4.45Å; M333-Y389 HydrophobicContact CG-CE1 3.61Å; M333-Y389 HydrophobicContact SD-CE1 4.42Å; M333-Y389 HydrophobicContact SD-CE2 4.43Å
334	A	97.2	Very high	93.6	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-56.9	-48.1	176.5	0	0	0	0	0	111.1	F325 W326 V329 F330 P331 R336 L337 V338 L386	F325-A334 HydrophobicContact CE1-CB 4.14Å; F325-A334 HydrophobicContact CZ-CB 4.05Å; W326-A334 HydrophobicContact CH2-CB 4.25Å; W326-A334 HydrophobicContact CZ3-CB 3.95Å; V329-A334 HydrophobicContact CG1-CB 4.09Å; F330-A334 PolarHBondContact O-N 3.49Å; F330-A334 VanDerWaalsContact O-N 3.11Å; P331-A334 PolarHBondContact O-N 3.32Å; A334-R336 PolarHBondContact O-N 2.9Å; A334-L337 PolarHBondContact O-N 3.05Å; A334-V338 WeakPolarHBondContact O-CG2 3.37Å; A334-V338 PolarHBondContact O-N 3.01Å; A334-L386 HydrophobicContact CB-CD2 4.45Å
335	V	97.3	Very high	92.7	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-42	177.3	167.5	0	0	0	0	111.9	I205 W217 A219 F317 P331 M333 L337 V338 S339	I205-V335 HydrophobicContact CG2-CG2 4.01Å; W217-V335 HydrophobicContact CB-CG1 3.84Å; W217-V335 HydrophobicContact CE3-CG1 4.13Å; A219-V335 HydrophobicContact CB-CB 4.18Å; A219-V335 HydrophobicContact CB-CG2 3.63Å; F317-V335 HydrophobicContact CE2-CB 4.48Å; F317-V335 HydrophobicContact CE2-CG2 4.07Å; F317-V335 HydrophobicContact CZ-CB 4.21Å; F317-V335 HydrophobicContact CZ-CG1 3.9Å; F317-V335 HydrophobicContact CZ-CG2 4.23Å; P331-V335 PolarHBondContact O-N 3.2Å; M333-V335 VanDerWaalsContact C-N 3.34Å; M333-V335 PolarHBondContact O-N 3.34Å; V335-L337 VanDerWaalsContact C-N 3.35Å; V335-L337 PolarHBondContact O-N 2.82Å; V335-V338 PolarHBondContact O-N 2.79Å; V335-S339 WeakPolarHBondContact O-CB 3.38Å; V335-S339 PolarHBondContact O-N 3.33Å; V335-S339 PolarHBondContact O-OG 2.94Å
336	R	93.9	Very high	91.6	Very high	152 Å²	152	50 Å²	50	57%	0.574	24%	0.239	S	C	*	.	H	α-helix	trans	-62.7	-39.4	176.1	-177.3	179.6	179.4	-169	-1.5	112.7	E332 M333 A334 S339 N340	E332-R336 WeakPolarHBondContact O-CB 3.46Å; E332-R336 PolarHBondContact O-N 3.05Å; M333-R336 PolarHBondContact O-N 3.12Å; A334-R336 PolarHBondContact O-N 2.9Å; R336-S339 PolarHBondContact O-OG 3.11Å; R336-S339 VanDerWaalsContact O-OG 3.06Å; R336-N340 WeakPolarHBondContact O-CB 3.35Å; R336-N340 VanDerWaalsContact O-CG 3.27Å; R336-N340 PolarHBondContact O-N 2.79Å; R336-N340 VanDerWaalsContact O-N 3.08Å; R336-N340 PolarHBondContact O-ND2 3.45Å; R336-N340 VanDerWaalsContact O-ND2 3.09Å
337	L	93.4	Very high	90.6	Very high	18 Å²	18	49.6 Å²	49.6	9%	0.094	24%	0.24	C	C	.	.	H	α-helix	trans	-67.6	-45.6	178.2	-70.4	167.2	0	0	0	111	M333 A334 V335 N340 H341 L386 Y389	M333-L337 HydrophobicContact CG-CD1 4.01Å; M333-L337 HydrophobicContact CG-CG 4.38Å; M333-L337 VanDerWaalsContact O-CG 3.29Å; M333-L337 WeakPolarHBondContact O-CG 3.3Å; M333-L337 PolarHBondContact O-N 2.87Å; M333-L337 HydrophobicContact SD-CD1 4.47Å; M333-L337 HydrophobicContact SD-CG 4.28Å; A334-L337 PolarHBondContact O-N 3.05Å; V335-L337 VanDerWaalsContact C-N 3.35Å; V335-L337 PolarHBondContact O-N 2.82Å; L337-N340 PolarHBondContact O-N 2.82Å; L337-H341 WeakPolarHBondContact O-CB 3.41Å; L337-H341 PolarHBondContact O-N 3.33Å; L337-L386 HydrophobicContact CB-CD2 3.68Å; L337-L386 HydrophobicContact CD1-CD2 3.88Å; L337-L386 HydrophobicContact CG-CD2 4.46Å; L337-Y389 HydrophobicContact CD1-CD1 3.51Å; L337-Y389 HydrophobicContact CD1-CD2 3.77Å; L337-Y389 HydrophobicContact CD1-CE1 4.03Å; L337-Y389 HydrophobicContact CD1-CE2 4.24Å; L337-Y389 HydrophobicContact CD1-CG 3.38Å; L337-Y389 HydrophobicContact CD2-CD2 3.83Å; L337-Y389 HydrophobicContact CD2-CE2 4.19Å; L337-Y389 HydrophobicContact CD2-CG 4.26Å; L337-Y389 HydrophobicContact CG-CD2 4.44Å; L337-Y389 HydrophobicContact CG-CG 4.46Å
338	V	94.7	Very high	89.7	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-45	176.9	179	0	0	0	0	111	F317 V319 A334 V335 N340 H341 M342 L386 V426 Y428	F317-V338 HydrophobicContact CD1-CG1 3.63Å; F317-V338 HydrophobicContact CD2-CB 4.15Å; F317-V338 HydrophobicContact CD2-CG1 3.63Å; F317-V338 HydrophobicContact CD2-CG2 4.38Å; F317-V338 HydrophobicContact CE1-CB 3.96Å; F317-V338 HydrophobicContact CE1-CG1 3.53Å; F317-V338 HydrophobicContact CE2-CB 3.55Å; F317-V338 HydrophobicContact CE2-CG1 3.54Å; F317-V338 HydrophobicContact CE2-CG2 3.9Å; F317-V338 HydrophobicContact CG-CG1 3.67Å; F317-V338 HydrophobicContact CZ-CB 3.45Å; F317-V338 VanDerWaalsContact CZ-CB 3.45Å; F317-V338 HydrophobicContact CZ-CG1 3.49Å; F317-V338 VanDerWaalsContact CZ-CG1 3.49Å; F317-V338 HydrophobicContact CZ-CG2 4.28Å; V319-V338 HydrophobicContact CG2-CG2 4.03Å; A334-V338 WeakPolarHBondContact O-CG2 3.37Å; A334-V338 PolarHBondContact O-N 3.01Å; V335-V338 PolarHBondContact O-N 2.79Å; V338-N340 PolarHBondContact O-N 3.18Å; V338-H341 WeakPolarHBondContact O-CB 3.24Å; V338-H341 PolarHBondContact O-N 2.89Å; V338-H341 VanDerWaalsContact O-N 3.16Å; V338-M342 HydrophobicContact CG1-CG 4.41Å; V338-M342 HydrophobicContact CG1-SD 4.26Å; V338-M342 WeakPolarHBondContact O-CG 3.49Å; V338-M342 PolarHBondContact O-N 3.3Å; V338-L386 HydrophobicContact CG2-CD1 3.86Å; V338-L386 HydrophobicContact CG2-CD2 4.15Å; V338-L386 HydrophobicContact CG2-CG 4.31Å; V338-V426 HydrophobicContact CG1-CG1 3.71Å; V338-V426 HydrophobicContact CG2-CG1 4.13Å; V338-V426 HydrophobicContact CG2-CG2 4.28Å; V338-Y428 HydrophobicContact CG1-CE1 3.92Å
339	S	93.2	Very high	88.9	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-64.3	-39.6	-180	66.5	0	0	0	0	112.9	W217 V335 R336 M342 I343	W217-S339 VanDerWaalsContact CD2-CB 3.45Å; W217-S339 VanDerWaalsContact CZ2-CB 3.45Å; V335-S339 WeakPolarHBondContact O-CB 3.38Å; V335-S339 PolarHBondContact O-N 3.33Å; V335-S339 PolarHBondContact O-OG 2.94Å; R336-S339 PolarHBondContact O-OG 3.11Å; R336-S339 VanDerWaalsContact O-OG 3.06Å; S339-M342 PolarHBondContact O-N 3.03Å; S339-I343 WeakPolarHBondContact O-CG1 3.5Å; S339-I343 PolarHBondContact O-N 3.29Å
340	N	90.8	Very high	88.3	Confident	44 Å²	44	53.5 Å²	53.5	24%	0.235	27%	0.266	C	S	.	.	H	α-helix	trans	-65.8	-39.7	172.9	-74.2	-33.3	0	0	0	112.1	R336 L337 V338 I343 G344 K375	R336-N340 WeakPolarHBondContact O-CB 3.35Å; R336-N340 VanDerWaalsContact O-CG 3.27Å; R336-N340 PolarHBondContact O-N 2.79Å; R336-N340 VanDerWaalsContact O-N 3.08Å; R336-N340 PolarHBondContact O-ND2 3.45Å; R336-N340 VanDerWaalsContact O-ND2 3.09Å; L337-N340 PolarHBondContact O-N 2.82Å; V338-N340 PolarHBondContact O-N 3.18Å; N340-I343 PolarHBondContact O-N 2.89Å; N340-G344 PolarHBondContact O-N 2.83Å; N340-K375 HydrophobicContact CB-CD 4.34Å; N340-K375 WeakPolarHBondContact OD1-CD 3.42Å; N340-K375 WeakPolarHBondContact OD1-CE 2.99Å; N340-K375 PolarHBondContact OD1-NZ 2.91Å
341	H	91.2	Very high	87.8	Confident	3 Å²	3	48.4 Å²	48.4	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-59	-46.6	174.8	-173.4	-78.5	0	0	0	111.1	L337 V338 I343 G344 V345 P377 D379 A380	L337-H341 WeakPolarHBondContact O-CB 3.41Å; L337-H341 PolarHBondContact O-N 3.33Å; V338-H341 WeakPolarHBondContact O-CB 3.24Å; V338-H341 PolarHBondContact O-N 2.89Å; V338-H341 VanDerWaalsContact O-N 3.16Å; H341-I343 VanDerWaalsContact C-N 3.32Å; H341-I343 PolarHBondContact O-N 2.94Å; H341-G344 PolarHBondContact O-N 2.79Å; H341-G344 VanDerWaalsContact O-N 3.14Å; H341-V345 WeakPolarHBondContact O-CB 3.3Å; H341-V345 PolarHBondContact O-N 3.14Å; H341-P377 WeakPolarHBondContact CD2-CB 3.39Å; H341-D379 PolarHBondContact NE2-O 2.62Å; H341-A380 PolarHBondContact CE1-O 2.82Å
342	M	88.4	Confident	87.3	Confident	57 Å²	57	54.5 Å²	54.5	28%	0.281	27%	0.269	S	S	.	.	H	α-helix	trans	-58	-39.3	176.4	-69.5	173.7	71.8	0	0	113.2	W217 K316 F317 V338 S339 V345 Y428	W217-M342 HydrophobicContact CH2-SD 4.37Å; K316-M342 HydrophobicContact CB-CE 4.3Å; F317-M342 HydrophobicContact CD1-SD 3.55Å; F317-M342 VanDerWaalsContact CD1-SD 3.55Å; F317-M342 HydrophobicContact CE1-SD 3.88Å; V338-M342 HydrophobicContact CG1-CG 4.41Å; V338-M342 HydrophobicContact CG1-SD 4.26Å; V338-M342 WeakPolarHBondContact O-CG 3.49Å; V338-M342 PolarHBondContact O-N 3.3Å; S339-M342 PolarHBondContact O-N 3.03Å; M342-V345 WeakPolarHBondContact O-CG1 3.05Å; M342-Y428 HydrophobicContact CE-CD1 4.08Å; M342-Y428 HydrophobicContact CE-CE1 4.37Å; M342-Y428 HydrophobicContact CG-CD1 4.2Å; M342-Y428 HydrophobicContact CG-CE1 3.56Å; M342-Y428 HydrophobicContact SD-CD1 3.93Å; M342-Y428 HydrophobicContact SD-CE1 3.71Å
343	I	85.2	Confident	87	Confident	48 Å²	48	54.3 Å²	54.3	25%	0.246	27%	0.271	C	S	.	.	H	α-helix	trans	-69.9	-39	177.9	-65.2	164.6	0	0	0	111.1	S339 N340 H341 R372 K375	S339-I343 WeakPolarHBondContact O-CG1 3.5Å; S339-I343 PolarHBondContact O-N 3.29Å; N340-I343 PolarHBondContact O-N 2.89Å; H341-I343 VanDerWaalsContact C-N 3.32Å; H341-I343 PolarHBondContact O-N 2.94Å; I343-R372 HydrophobicContact CG2-CB 4.25Å; I343-R372 HydrophobicContact CG2-CG 3.74Å; I343-K375 HydrophobicContact CB-CD 4.1Å; I343-K375 HydrophobicContact CD1-CD 4.12Å; I343-K375 HydrophobicContact CG2-CD 3.92Å
344	G	81.1	Confident	86.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-85	-20.9	-175.2	0	0	0	0	0	114.7	N340 H341 E346 T347 K375 P377	N340-G344 PolarHBondContact O-N 2.83Å; H341-G344 PolarHBondContact O-N 2.79Å; H341-G344 VanDerWaalsContact O-N 3.14Å; G344-E346 VanDerWaalsContact C-N 3.26Å; G344-E346 PolarHBondContact O-N 3.02Å; G344-T347 WeakPolarHBondContact O-CB 3.46Å; G344-T347 PolarHBondContact O-N 3.48Å; G344-T347 PolarHBondContact O-OG1 3.47Å; G344-K375 WeakPolarHBondContact CA-O 3.4Å; G344-P377 WeakPolarHBondContact O-CD 3.17Å
345	V	78.3	Confident	86.1	Confident	50 Å²	50	58.8 Å²	58.8	30%	0.303	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-60.6	-33.6	-172.3	76.2	0	0	0	0	112.7	H341 M342 T347 L348	H341-V345 WeakPolarHBondContact O-CB 3.3Å; H341-V345 PolarHBondContact O-N 3.14Å; M342-V345 WeakPolarHBondContact O-CG1 3.05Å; V345-T347 PolarHBondContact O-N 2.84Å; V345-T347 VanDerWaalsContact O-N 3.11Å; V345-L348 HydrophobicContact CG2-CD1 4.11Å; V345-L348 VanDerWaalsContact O-CB 3.24Å; V345-L348 WeakPolarHBondContact O-CB 3.42Å; V345-L348 WeakPolarHBondContact O-CG 3.31Å; V345-L348 PolarHBondContact O-N 3.03Å
346	E	73.3	Confident	85.7	Confident	75 Å²	75	68.8 Å²	68.8	35%	0.35	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-59.4	-25.6	176	-69.6	-178.5	-169.1	0	0	112.9	G344 L348 I349 R372	G344-E346 VanDerWaalsContact C-N 3.26Å; G344-E346 PolarHBondContact O-N 3.02Å; E346-L348 PolarHBondContact O-N 3.1Å; E346-I349 PolarHBondContact O-N 3.24Å; E346-R372 IonicContact OE1-NH1 3.89Å; E346-R372 PolarHBondContact OE1-NH1 3.16Å; E346-R372 IonicContact OE2-CZ 2.9Å; E346-R372 IonicContact OE2-NH1 3.31Å; E346-R372 PolarHBondContact OE2-NH1 3.28Å
347	T	77	Confident	85.5	Confident	26 Å²	26	63 Å²	63	16%	0.16	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-76.3	-6.7	178.1	73.3	0	0	0	0	113.2	G344 V345 R372 A373 R376	G344-T347 WeakPolarHBondContact O-CB 3.46Å; G344-T347 PolarHBondContact O-N 3.48Å; G344-T347 PolarHBondContact O-OG1 3.47Å; V345-T347 PolarHBondContact O-N 2.84Å; V345-T347 VanDerWaalsContact O-N 3.11Å; T347-R372 HydrophobicContact CG2-CB 3.94Å; T347-A373 HydrophobicContact CG2-CB 4.41Å; T347-R376 WeakPolarHBondContact OG1-CB 3.26Å; T347-R376 VanDerWaalsContact OG1-CG 3.28Å; T347-R376 WeakPolarHBondContact OG1-CG 3.34Å
348	L	75.3	Confident	85.5	Confident	61 Å²	61	66 Å²	66	32%	0.319	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-80.3	-20.2	169.2	-58.5	-176.8	0	0	0	112.3	V345 E346 R376 P377 A380	V345-L348 HydrophobicContact CG2-CD1 4.11Å; V345-L348 VanDerWaalsContact O-CB 3.24Å; V345-L348 WeakPolarHBondContact O-CB 3.42Å; V345-L348 WeakPolarHBondContact O-CG 3.31Å; V345-L348 PolarHBondContact O-N 3.03Å; E346-L348 PolarHBondContact O-N 3.1Å; L348-R376 HydrophobicContact CD2-CG 4.27Å; L348-P377 HydrophobicContact CD1-CG 4.04Å; L348-P377 HydrophobicContact CD2-CG 4.47Å; L348-P377 HydrophobicContact CG-CG 4.27Å; L348-A380 HydrophobicContact CD1-CB 3.99Å
349	I	76.7	Confident	85.4	Confident	108 Å²	108	73.9 Å²	73.9	55%	0.554	39%	0.393	S	S	*	.	S	Bend	trans	-96.2	130.6	-179.8	-51.4	174.2	0	0	0	108.4	E346	E346-I349 PolarHBondContact O-N 3.24Å
350	P	81.8	Confident	85.4	Confident	103 Å²	103	83.7 Å²	83.7	67%	0.669	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-50.4	143.8	171.2	-26.5	35.3	0	0	0	111.7	E352	P350-E352 PolarHBondContact O-N 2.87Å
351	Y	86.1	Confident	85.4	Confident	59 Å²	59	84.5 Å²	84.5	23%	0.231	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-71.2	122.3	173.6	-179.3	-115.7	0	0	0	110.2	I353 V362 D365 L366	Y351-I353 HydrophobicContact CD1-CG1 4.29Å; Y351-I353 HydrophobicContact CE1-CG1 3.89Å; Y351-V362 HydrophobicContact CE1-CG1 4Å; Y351-D365 HydrophobicContact CE2-CB 3.68Å; Y351-D365 WeakPolarHBondContact OH-CB 3.44Å; Y351-D365 PolarHBondContact OH-OD2 2.95Å; Y351-L366 HydrophobicContact CD1-CD2 3.9Å; Y351-L366 HydrophobicContact CE1-CD2 4.22Å; Y351-L366 HydrophobicContact CE1-CG 4.45Å; Y351-L366 HydrophobicContact CG-CD2 4.23Å
352	E	86.7	Confident	85.4	Confident	158 Å²	158	85.5 Å²	85.5	74%	0.738	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-101.6	127.6	169.5	-65.4	-173.8	175.5	0	0	108.3	P350 P354	P350-E352 PolarHBondContact O-N 2.87Å; E352-P354 WeakPolarHBondContact O-CD 3.24Å
353	I	88.9	Confident	85.6	Confident	119 Å²	119	86 Å²	86	61%	0.61	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-71.6	120.7	178.1	-58.5	176.5	0	0	0	107.5	Y351 A357 V362	Y351-I353 HydrophobicContact CD1-CG1 4.29Å; Y351-I353 HydrophobicContact CE1-CG1 3.89Å; I353-A357 HydrophobicContact CG2-CB 4.08Å; I353-V362 HydrophobicContact CG2-CG2 3.91Å
354	P	87	Confident	85.9	Confident	63 Å²	63	88.1 Å²	88.1	41%	0.409	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-59.2	142.6	177.8	-20.9	30.9	0	0	0	111.2	E352 F356 A357	E352-P354 WeakPolarHBondContact O-CD 3.24Å; P354-F356 PolarHBondContact O-N 3.1Å; P354-A357 HydrophobicContact CB-CB 4.12Å; P354-A357 HydrophobicContact CG-CB 4.3Å; P354-A357 VanDerWaalsContact O-CB 3.22Å; P354-A357 WeakPolarHBondContact O-CB 3.44Å; P354-A357 PolarHBondContact O-N 3.07Å
355	A	88.3	Confident	86.3	Confident	85 Å²	85	90.6 Å²	90.6	70%	0.702	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	131.8	172.7	0	0	0	0	0	109.4	A357	A355-A357 VanDerWaalsContact C-N 3.27Å; A355-A357 PolarHBondContact O-N 3.29Å
356	F	89.4	Confident	86.8	Confident	212 Å²	212	92.1 Å²	92.1	93%	0.93	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	14.9	-177.1	-40.4	-76.1	0	0	0	115.9	P354 T358	P354-F356 PolarHBondContact O-N 3.1Å; F356-T358 PolarHBondContact O-N 3.41Å
357	A	88	Confident	87.6	Confident	31 Å²	31	95.2 Å²	95.2	26%	0.256	48%	0.483	S	S	.	.			trans	-62.8	133.4	174.6	0	0	0	0	0	111.7	I353 P354 A355 V362	I353-A357 HydrophobicContact CG2-CB 4.08Å; P354-A357 HydrophobicContact CB-CB 4.12Å; P354-A357 HydrophobicContact CG-CB 4.3Å; P354-A357 VanDerWaalsContact O-CB 3.22Å; P354-A357 WeakPolarHBondContact O-CB 3.44Å; P354-A357 PolarHBondContact O-N 3.07Å; A355-A357 VanDerWaalsContact C-N 3.27Å; A355-A357 PolarHBondContact O-N 3.29Å; A357-V362 HydrophobicContact CB-CG2 3.86Å
358	T	93.5	Very high	88.1	Confident	81 Å²	81	96.6 Å²	96.6	50%	0.497	49%	0.491	S	S	.	.			trans	-77.6	158.8	169.9	71.8	0	0	0	0	110.1	F356 R360 T361 V362	F356-T358 PolarHBondContact O-N 3.41Å; T358-R360 PolarHBondContact O-N 3.36Å; T358-R360 VanDerWaalsContact O-N 3.16Å; T358-R360 PolarHBondContact OG1-N 3.21Å; T358-T361 WeakPolarHBondContact O-CB 3.03Å; T358-T361 PolarHBondContact O-N 3.17Å; T358-T361 PolarHBondContact OG1-N 3.16Å; T358-T361 PolarHBondContact OG1-OG1 2.64Å; T358-V362 PolarHBondContact O-N 2.67Å
359	F	92.8	Very high	88.6	Confident	166 Å²	166	96.8 Å²	96.8	73%	0.728	49%	0.487	S	S	*	.	H	α-helix	trans	-53.9	-35.5	172.3	-178.7	-100.5	0	0	0	112.5	V362 L363	F359-V362 PolarHBondContact O-N 3.2Å; F359-L363 HydrophobicContact CE1-CD2 4.47Å; F359-L363 WeakPolarHBondContact O-CB 3.47Å; F359-L363 PolarHBondContact O-N 3.02Å
360	R	93	Very high	89.1	Confident	209 Å²	209	99 Å²	99	79%	0.789	49%	0.493	S	S	*	.	H	α-helix	trans	-63.3	-45.4	175.9	-179.7	-179.6	-70.1	-146	-0.4	111.6	T358 L363 E364	T358-R360 PolarHBondContact O-N 3.36Å; T358-R360 VanDerWaalsContact O-N 3.16Å; T358-R360 PolarHBondContact OG1-N 3.21Å; R360-L363 PolarHBondContact O-N 3.08Å; R360-E364 PolarHBondContact O-N 3.01Å
361	T	91.2	Very high	89.2	Confident	61 Å²	61	99.3 Å²	99.3	37%	0.374	49%	0.485	S	S	.	.	H	α-helix	trans	-60.5	-48.9	177.5	-49.6	0	0	0	0	110.4	T358 L363 E364 D365	T358-T361 WeakPolarHBondContact O-CB 3.03Å; T358-T361 PolarHBondContact O-N 3.17Å; T358-T361 PolarHBondContact OG1-N 3.16Å; T358-T361 PolarHBondContact OG1-OG1 2.64Å; T361-L363 VanDerWaalsContact C-N 3.35Å; T361-L363 PolarHBondContact O-N 3.46Å; T361-E364 PolarHBondContact O-N 2.88Å; T361-D365 PolarHBondContact O-N 3.05Å
362	V	91.5	Very high	89.1	Confident	24 Å²	24	100.2 Å²	100.2	15%	0.145	49%	0.488	C	S	.	.	H	α-helix	trans	-59.6	-44.4	177.6	173.7	0	0	0	0	111.7	Y351 I353 A357 T358 F359 E364 D365 L366	Y351-V362 HydrophobicContact CE1-CG1 4Å; I353-V362 HydrophobicContact CG2-CG2 3.91Å; A357-V362 HydrophobicContact CB-CG2 3.86Å; T358-V362 PolarHBondContact O-N 2.67Å; F359-V362 PolarHBondContact O-N 3.2Å; V362-E364 VanDerWaalsContact C-N 3.3Å; V362-E364 PolarHBondContact O-N 3.22Å; V362-D365 PolarHBondContact O-N 2.87Å; V362-L366 HydrophobicContact CG1-CD1 3.92Å; V362-L366 HydrophobicContact CG1-CG 4.35Å; V362-L366 WeakPolarHBondContact O-CB 3.46Å; V362-L366 VanDerWaalsContact O-CG 3.22Å; V362-L366 WeakPolarHBondContact O-CG 3.47Å; V362-L366 PolarHBondContact O-N 3.42Å
363	L	93	Very high	88.8	Confident	66 Å²	66	95 Å²	95	35%	0.346	47%	0.472	S	S	.	.	H	α-helix	trans	-61.5	-39.5	178.6	-179.1	62.9	0	0	0	112	F359 R360 T361 R367	F359-L363 HydrophobicContact CE1-CD2 4.47Å; F359-L363 WeakPolarHBondContact O-CB 3.47Å; F359-L363 PolarHBondContact O-N 3.02Å; R360-L363 PolarHBondContact O-N 3.08Å; T361-L363 VanDerWaalsContact C-N 3.35Å; T361-L363 PolarHBondContact O-N 3.46Å; L363-R367 WeakPolarHBondContact O-CG 3.34Å; L363-R367 PolarHBondContact O-N 3.02Å
364	E	92	Very high	88.4	Confident	94 Å²	94	96.7 Å²	96.7	44%	0.439	48%	0.475	S	S	.	.	H	α-helix	trans	-70.7	-45.1	179.1	-165.3	56.4	-153.9	0	0	111.8	R360 T361 V362 L366 R367 V368	R360-E364 PolarHBondContact O-N 3.01Å; T361-E364 PolarHBondContact O-N 2.88Å; V362-E364 VanDerWaalsContact C-N 3.3Å; V362-E364 PolarHBondContact O-N 3.22Å; E364-L366 VanDerWaalsContact C-N 3.27Å; E364-L366 PolarHBondContact O-N 2.99Å; E364-R367 WeakPolarHBondContact O-CB 3.42Å; E364-R367 PolarHBondContact O-N 3.42Å; E364-R367 VanDerWaalsContact O-N 3.1Å; E364-R367 IonicContact OE2-NH1 2.56Å; E364-R367 PolarHBondContact OE2-NH1 3.25Å; E364-V368 WeakPolarHBondContact O-CG2 3.31Å; E364-V368 PolarHBondContact O-N 2.61Å
365	D	88.2	Confident	88	Confident	52 Å²	52	97.8 Å²	97.8	28%	0.278	47%	0.474	S	S	.	.	H	α-helix	trans	-55.1	-44.4	173.6	-69.7	-11.2	0	0	0	111.4	Y351 T361 V362 V368 R369	Y351-D365 HydrophobicContact CE2-CB 3.68Å; Y351-D365 WeakPolarHBondContact OH-CB 3.44Å; Y351-D365 PolarHBondContact OH-OD2 2.95Å; T361-D365 PolarHBondContact O-N 3.05Å; V362-D365 PolarHBondContact O-N 2.87Å; D365-V368 PolarHBondContact O-N 3.39Å; D365-R369 WeakPolarHBondContact O-CB 3.49Å; D365-R369 VanDerWaalsContact O-CG 3.3Å; D365-R369 WeakPolarHBondContact O-CG 3.4Å; D365-R369 PolarHBondContact O-N 3.14Å
366	L	89.8	Confident	87.6	Confident	82 Å²	82	101.4 Å²	101.4	43%	0.429	47%	0.469	S	S	.	.	H	α-helix	trans	-67.6	-35.1	178.9	-69.8	176.5	0	0	0	112.6	Y351 V362 E364 K370	Y351-L366 HydrophobicContact CD1-CD2 3.9Å; Y351-L366 HydrophobicContact CE1-CD2 4.22Å; Y351-L366 HydrophobicContact CE1-CG 4.45Å; Y351-L366 HydrophobicContact CG-CD2 4.23Å; V362-L366 HydrophobicContact CG1-CD1 3.92Å; V362-L366 HydrophobicContact CG1-CG 4.35Å; V362-L366 WeakPolarHBondContact O-CB 3.46Å; V362-L366 VanDerWaalsContact O-CG 3.22Å; V362-L366 WeakPolarHBondContact O-CG 3.47Å; V362-L366 PolarHBondContact O-N 3.42Å; E364-L366 VanDerWaalsContact C-N 3.27Å; E364-L366 PolarHBondContact O-N 2.99Å; L366-K370 WeakPolarHBondContact O-CB 3.36Å; L366-K370 PolarHBondContact O-N 2.96Å
367	R	90.4	Very high	87	Confident	140 Å²	140	91.8 Å²	91.8	53%	0.528	43%	0.428	S	S	.	.	H	α-helix	trans	-65.1	-47.9	173.5	-78.2	171.9	176.4	170.4	-2.8	111.3	L363 E364 R369 K370 E371	L363-R367 WeakPolarHBondContact O-CG 3.34Å; L363-R367 PolarHBondContact O-N 3.02Å; E364-R367 WeakPolarHBondContact O-CB 3.42Å; E364-R367 PolarHBondContact O-N 3.42Å; E364-R367 VanDerWaalsContact O-N 3.1Å; E364-R367 IonicContact OE2-NH1 2.56Å; E364-R367 PolarHBondContact OE2-NH1 3.25Å; R367-R369 VanDerWaalsContact C-N 3.32Å; R367-R369 PolarHBondContact O-N 3.23Å; R367-K370 WeakPolarHBondContact O-CB 2.99Å; R367-K370 PolarHBondContact O-N 3.43Å; R367-E371 PolarHBondContact O-N 3.33Å; R367-E371 VanDerWaalsContact O-N 3.08Å
368	V	85.8	Confident	86.6	Confident	55 Å²	55	93.4 Å²	93.4	33%	0.333	44%	0.441	S	S	.	.	H	α-helix	trans	-58.8	-46.5	175.8	172.9	0	0	0	0	110.1	E364 D365 K370 E371 R372	E364-V368 WeakPolarHBondContact O-CG2 3.31Å; E364-V368 PolarHBondContact O-N 2.61Å; D365-V368 PolarHBondContact O-N 3.39Å; V368-K370 VanDerWaalsContact C-N 3.34Å; V368-K370 PolarHBondContact O-N 2.89Å; V368-E371 PolarHBondContact O-N 2.84Å; V368-R372 HydrophobicContact CG1-CG 4.39Å; V368-R372 VanDerWaalsContact CG1-NE 3.34Å; V368-R372 VanDerWaalsContact O-CG 3.31Å; V368-R372 WeakPolarHBondContact O-CG 3.22Å; V368-R372 PolarHBondContact O-N 3.14Å
369	R	85.8	Confident	86.1	Confident	65 Å²	65	90.3 Å²	90.3	25%	0.245	42%	0.422	C	S	.	.	H	α-helix	trans	-62.4	-37.2	177	-77.2	-179.2	174.1	-139.2	1.1	113.3	D365 R367 R372 A373	D365-R369 WeakPolarHBondContact O-CB 3.49Å; D365-R369 VanDerWaalsContact O-CG 3.3Å; D365-R369 WeakPolarHBondContact O-CG 3.4Å; D365-R369 PolarHBondContact O-N 3.14Å; R367-R369 VanDerWaalsContact C-N 3.32Å; R367-R369 PolarHBondContact O-N 3.23Å; R369-R372 PolarHBondContact O-N 2.91Å; R369-A373 WeakPolarHBondContact O-CB 3.38Å; R369-A373 PolarHBondContact O-N 3.05Å
370	K	87.1	Confident	85.6	Confident	154 Å²	154	85 Å²	85	67%	0.67	41%	0.408	S	S	*	.	H	α-helix	trans	-63.2	-41.4	175	-176	-179.4	178.5	-177.7	0	111.8	L366 R367 V368 A373	L366-K370 WeakPolarHBondContact O-CB 3.36Å; L366-K370 PolarHBondContact O-N 2.96Å; R367-K370 WeakPolarHBondContact O-CB 2.99Å; R367-K370 PolarHBondContact O-N 3.43Å; V368-K370 VanDerWaalsContact C-N 3.34Å; V368-K370 PolarHBondContact O-N 2.89Å; K370-A373 WeakPolarHBondContact O-CB 3.19Å; K370-A373 PolarHBondContact O-N 3.46Å
371	E	84.7	Confident	85.3	Confident	109 Å²	109	75.3 Å²	75.3	51%	0.509	37%	0.372	S	S	.	.	H	α-helix	trans	-66.7	-43	175	-71.6	-58	121.3	0	0	111.5	R367 V368 A373 K374	R367-E371 PolarHBondContact O-N 3.33Å; R367-E371 VanDerWaalsContact O-N 3.08Å; V368-E371 PolarHBondContact O-N 2.84Å; E371-A373 VanDerWaalsContact C-N 3.27Å; E371-A373 PolarHBondContact O-N 2.89Å; E371-K374 WeakPolarHBondContact O-CB 3.2Å; E371-K374 PolarHBondContact O-N 3.43Å; E371-K374 IonicContact OE1-NZ 3.43Å; E371-K374 PolarHBondContact OE1-NZ 2.87Å; E371-K374 IonicContact OE2-NZ 3.17Å; E371-K374 PolarHBondContact OE2-NZ 2.81Å
372	R	83.4	Confident	85.3	Confident	78 Å²	78	72.4 Å²	72.4	29%	0.294	36%	0.355	S	S	.	.	H	α-helix	trans	-64.6	-28.7	175.2	-66.3	-179.5	-178	-166.5	-4.8	113	I343 E346 T347 V368 R369 K374 K375 R376	I343-R372 HydrophobicContact CG2-CB 4.25Å; I343-R372 HydrophobicContact CG2-CG 3.74Å; E346-R372 IonicContact OE1-NH1 3.89Å; E346-R372 PolarHBondContact OE1-NH1 3.16Å; E346-R372 IonicContact OE2-CZ 2.9Å; E346-R372 IonicContact OE2-NH1 3.31Å; E346-R372 PolarHBondContact OE2-NH1 3.28Å; T347-R372 HydrophobicContact CG2-CB 3.94Å; V368-R372 HydrophobicContact CG1-CG 4.39Å; V368-R372 VanDerWaalsContact CG1-NE 3.34Å; V368-R372 VanDerWaalsContact O-CG 3.31Å; V368-R372 WeakPolarHBondContact O-CG 3.22Å; V368-R372 PolarHBondContact O-N 3.14Å; R369-R372 PolarHBondContact O-N 2.91Å; R372-K374 PolarHBondContact O-N 2.8Å; R372-K375 CarbonylContact O-C 3.51Å; R372-K375 WeakPolarHBondContact O-CA 3.38Å; R372-K375 PolarHBondContact O-N 3.46Å; R372-R376 PolarHBondContact O-N 3.21Å
373	A	81.9	Confident	85.4	Confident	49 Å²	49	71.3 Å²	71.3	41%	0.405	35%	0.348	S	S	.	.	H	α-helix	trans	-62.3	-23.3	177.5	0	0	0	0	0	113	T347 R369 K370 E371 K375 R376	T347-A373 HydrophobicContact CG2-CB 4.41Å; R369-A373 WeakPolarHBondContact O-CB 3.38Å; R369-A373 PolarHBondContact O-N 3.05Å; K370-A373 WeakPolarHBondContact O-CB 3.19Å; K370-A373 PolarHBondContact O-N 3.46Å; E371-A373 VanDerWaalsContact C-N 3.27Å; E371-A373 PolarHBondContact O-N 2.89Å; A373-K375 PolarHBondContact O-N 3.43Å; A373-R376 VanDerWaalsContact O-CB 3.28Å; A373-R376 WeakPolarHBondContact O-CB 3.44Å; A373-R376 PolarHBondContact O-N 3.01Å; A373-R376 VanDerWaalsContact O-N 3.14Å
374	K	79.2	Confident	85.3	Confident	155 Å²	155	68.7 Å²	68.7	67%	0.674	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.6	170.6	-60.9	175.8	-174.8	164.9	0	112.6	E371 R372	E371-K374 WeakPolarHBondContact O-CB 3.2Å; E371-K374 PolarHBondContact O-N 3.43Å; E371-K374 IonicContact OE1-NZ 3.43Å; E371-K374 PolarHBondContact OE1-NZ 2.87Å; E371-K374 IonicContact OE2-NZ 3.17Å; E371-K374 PolarHBondContact OE2-NZ 2.81Å; R372-K374 PolarHBondContact O-N 2.8Å
375	K	79.8	Confident	85.2	Confident	86 Å²	86	66 Å²	66	37%	0.374	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	13.3	176.7	-59.7	-172	178.4	-167	0	112.7	N340 I343 G344 R372 A373 P377	N340-K375 HydrophobicContact CB-CD 4.34Å; N340-K375 WeakPolarHBondContact OD1-CD 3.42Å; N340-K375 WeakPolarHBondContact OD1-CE 2.99Å; N340-K375 PolarHBondContact OD1-NZ 2.91Å; I343-K375 HydrophobicContact CB-CD 4.1Å; I343-K375 HydrophobicContact CD1-CD 4.12Å; I343-K375 HydrophobicContact CG2-CD 3.92Å; G344-K375 WeakPolarHBondContact CA-O 3.4Å; R372-K375 CarbonylContact O-C 3.51Å; R372-K375 WeakPolarHBondContact O-CA 3.38Å; R372-K375 PolarHBondContact O-N 3.46Å; A373-K375 PolarHBondContact O-N 3.43Å; K375-P377 WeakPolarHBondContact O-CD 3.36Å; K375-P377 VanDerWaalsContact O-N 3.11Å
376	R	79	Confident	85.5	Confident	160 Å²	160	63.5 Å²	63.5	60%	0.604	31%	0.309	S	S	*	.			trans	-54.2	118.8	180	176.9	171	-177.4	-174.2	6.2	109.7	T347 L348 R372 A373	T347-R376 WeakPolarHBondContact OG1-CB 3.26Å; T347-R376 VanDerWaalsContact OG1-CG 3.28Å; T347-R376 WeakPolarHBondContact OG1-CG 3.34Å; L348-R376 HydrophobicContact CD2-CG 4.27Å; R372-R376 PolarHBondContact O-N 3.21Å; A373-R376 VanDerWaalsContact O-CB 3.28Å; A373-R376 WeakPolarHBondContact O-CB 3.44Å; A373-R376 PolarHBondContact O-N 3.01Å; A373-R376 VanDerWaalsContact O-N 3.14Å
377	P	77.9	Confident	85.6	Confident	11 Å²	11	59.6 Å²	59.6	7%	0.071	29%	0.288	C	S	.	.			trans	-71.7	146.8	-176.2	30.3	-35.9	0	0	0	110.4	H341 G344 L348 K375 D379	H341-P377 WeakPolarHBondContact CD2-CB 3.39Å; G344-P377 WeakPolarHBondContact O-CD 3.17Å; L348-P377 HydrophobicContact CD1-CG 4.04Å; L348-P377 HydrophobicContact CD2-CG 4.47Å; L348-P377 HydrophobicContact CG-CG 4.27Å; K375-P377 WeakPolarHBondContact O-CD 3.36Å; K375-P377 VanDerWaalsContact O-N 3.11Å; P377-D379 WeakPolarHBondContact CB-O 3.29Å; P377-D379 PolarHBondContact O-N 3.27Å
378	A	77.8	Confident	85.6	Confident	65 Å²	65	54.9 Å²	54.9	54%	0.537	27%	0.27	S	S	.	.	S	Bend	trans	-69.9	-25.2	172.8	0	0	0	0	0	112.1
379	D	83.1	Confident	85.9	Confident	16 Å²	16	55.2 Å²	55.2	9%	0.086	27%	0.266	C	S	.	.			trans	-120.7	136.5	-175.3	-58.9	-70	0	0	0	110.5	H341 P377 N381 T384 H385 R388	H341-D379 PolarHBondContact NE2-O 2.62Å; P377-D379 WeakPolarHBondContact CB-O 3.29Å; P377-D379 PolarHBondContact O-N 3.27Å; D379-N381 VanDerWaalsContact C-N 3.3Å; D379-T384 HydrophobicContact CB-CG2 4.28Å; D379-H385 HydrophobicContact CB-CB 4.17Å; D379-H385 IonicContact OD2-ND1 2.65Å; D379-R388 IonicContact OD1-CZ 3.55Å; D379-R388 IonicContact OD1-NE 3.77Å; D379-R388 PolarHBondContact OD1-NE 3.47Å; D379-R388 IonicContact OD1-NH2 2.72Å; D379-R388 PolarHBondContact OD1-NH2 3.39Å; D379-R388 IonicContact OD2-CZ 2.85Å; D379-R388 IonicContact OD2-NE 2.79Å; D379-R388 PolarHBondContact OD2-NE 3.2Å; D379-R388 IonicContact OD2-NH2 3.16Å
380	A	83.4	Confident	86.2	Confident	54 Å²	54	52.1 Å²	52.1	45%	0.446	25%	0.254	S	S	.	.	S	Bend	trans	-68.8	-32.2	173.3	0	0	0	0	0	112.1	H341 L348	H341-A380 PolarHBondContact CE1-O 2.82Å; L348-A380 HydrophobicContact CD1-CB 3.99Å
381	N	86.6	Confident	86.3	Confident	6 Å²	6	45.3 Å²	45.3	3%	0.032	23%	0.225	C	C	.	.	S	Bend	trans	-91.9	129.1	177.3	-174.3	-67.8	0	0	0	110.8	Y13 C27 D379 A383 T384 H385	Y13-N381 HydrophobicContact CD2-CB 3.54Å; Y13-N381 WeakPolarHBondContact CD2-ND2 3.34Å; Y13-N381 HydrophobicContact CE2-CB 3.6Å; C27-N381 PolarHBondContact O-ND2 3.49Å; D379-N381 VanDerWaalsContact C-N 3.3Å; N381-A383 VanDerWaalsContact OD1-CA 3.32Å; N381-A383 WeakPolarHBondContact OD1-CA 3.2Å; N381-A383 VanDerWaalsContact OD1-CB 3.29Å; N381-A383 WeakPolarHBondContact OD1-CB 3.31Å; N381-A383 PolarHBondContact OD1-N 2.9Å; N381-T384 WeakPolarHBondContact CB-OG1 3.35Å; N381-T384 PolarHBondContact O-N 2.7Å; N381-T384 PolarHBondContact OD1-N 2.68Å; N381-T384 PolarHBondContact OD1-OG1 3.25Å; N381-H385 PolarHBondContact O-N 2.68Å
382	C	91.9	Very high	86.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-73.7	-34.8	-179	-166.2	0	0	0	0	113.1	H26 T384 H385 L386 V426 Y428	H26-C382 WeakPolarHBondContact ND1-CB 3.31Å; H26-C382 PolarHBondContact ND1-N 3.43Å; H26-C382 VanDerWaalsContact ND1-N 3.16Å; C382-T384 VanDerWaalsContact C-N 3.33Å; C382-T384 PolarHBondContact O-N 2.72Å; C382-H385 WeakPolarHBondContact O-CA 3.28Å; C382-H385 VanDerWaalsContact O-CB 3.3Å; C382-H385 WeakPolarHBondContact O-CB 3.41Å; C382-H385 PolarHBondContact O-N 3.44Å; C382-H385 VanDerWaalsContact O-N 3.12Å; C382-L386 WeakPolarHBondContact O-CG 3.43Å; C382-L386 PolarHBondContact O-N 2.87Å; C382-V426 HydrophobicContact CB-CB 4.5Å; C382-V426 HydrophobicContact CB-CG2 4.27Å; C382-Y428 WeakPolarHBondContact CB-OH 3.46Å
383	A	92.9	Very high	86.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.5	-38.2	174.2	0	0	0	0	0	111.4	H26 N28 N381 H385 L386 I387 V424 V426	H26-A383 HydrophobicContact CB-CB 4.44Å; N28-A383 HydrophobicContact CB-CB 3.6Å; N381-A383 VanDerWaalsContact OD1-CA 3.32Å; N381-A383 WeakPolarHBondContact OD1-CA 3.2Å; N381-A383 VanDerWaalsContact OD1-CB 3.29Å; N381-A383 WeakPolarHBondContact OD1-CB 3.31Å; N381-A383 PolarHBondContact OD1-N 2.9Å; A383-H385 VanDerWaalsContact C-N 3.33Å; A383-H385 PolarHBondContact O-N 3.35Å; A383-L386 PolarHBondContact O-N 3.16Å; A383-I387 WeakPolarHBondContact O-CG1 3.35Å; A383-I387 PolarHBondContact O-N 3.35Å; A383-V424 HydrophobicContact CB-CB 4.16Å; A383-V424 HydrophobicContact CB-CG1 4.14Å; A383-V424 VanDerWaalsContact CB-O 3.31Å; A383-V424 WeakPolarHBondContact CB-O 3.28Å; A383-V426 HydrophobicContact CB-CG2 4.43Å
384	T	90.4	Very high	85.8	Confident	12 Å²	12	44.4 Å²	44.4	7%	0.074	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-41.1	168.9	-52.7	0	0	0	0	112.3	F11 N28 D379 N381 C382 L386 I387 R388	F11-T384 HydrophobicContact CD2-CG2 3.52Å; F11-T384 HydrophobicContact CE2-CG2 3.48Å; F11-T384 VanDerWaalsContact CE2-CG2 3.48Å; F11-T384 HydrophobicContact CG-CG2 4.31Å; F11-T384 HydrophobicContact CZ-CG2 4.22Å; N28-T384 VanDerWaalsContact ND2-CA 3.29Å; N28-T384 WeakPolarHBondContact ND2-CA 3.22Å; N28-T384 WeakPolarHBondContact ND2-CB 3.4Å; N28-T384 PolarHBondContact ND2-OG1 2.93Å; D379-T384 HydrophobicContact CB-CG2 4.28Å; N381-T384 WeakPolarHBondContact CB-OG1 3.35Å; N381-T384 PolarHBondContact O-N 2.7Å; N381-T384 PolarHBondContact OD1-N 2.68Å; N381-T384 PolarHBondContact OD1-OG1 3.25Å; C382-T384 VanDerWaalsContact C-N 3.33Å; C382-T384 PolarHBondContact O-N 2.72Å; T384-L386 VanDerWaalsContact C-N 3.33Å; T384-L386 PolarHBondContact O-N 3.14Å; T384-I387 PolarHBondContact O-N 2.98Å; T384-R388 VanDerWaalsContact O-CB 3.31Å; T384-R388 WeakPolarHBondContact O-CB 3.41Å; T384-R388 PolarHBondContact O-N 3.15Å
385	H	90.3	Very high	85.3	Confident	36 Å²	36	40 Å²	40	17%	0.167	20%	0.202	C	C	.	.	H	α-helix	trans	-60.6	-43.9	176	-172.8	53.9	0	0	0	111.8	D379 N381 C382 A383 R388 Y389	D379-H385 HydrophobicContact CB-CB 4.17Å; D379-H385 IonicContact OD2-ND1 2.65Å; N381-H385 PolarHBondContact O-N 2.68Å; C382-H385 WeakPolarHBondContact O-CA 3.28Å; C382-H385 VanDerWaalsContact O-CB 3.3Å; C382-H385 WeakPolarHBondContact O-CB 3.41Å; C382-H385 PolarHBondContact O-N 3.44Å; C382-H385 VanDerWaalsContact O-N 3.12Å; A383-H385 VanDerWaalsContact C-N 3.33Å; A383-H385 PolarHBondContact O-N 3.35Å; H385-R388 PolarHBondContact O-N 3.45Å; H385-Y389 PolarHBondContact O-N 3Å
386	L	94.2	Very high	84.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-49.5	176.9	-70.7	178.3	0	0	0	112.2	V319 F325 A334 L337 V338 C382 A383 T384 R388 Y389 A390 V424 V426	V319-L386 HydrophobicContact CG1-CD1 4.21Å; F325-L386 HydrophobicContact CE2-CB 3.78Å; F325-L386 HydrophobicContact CZ-CB 4.04Å; F325-L386 HydrophobicContact CZ-CD1 4.31Å; F325-L386 HydrophobicContact CZ-CD2 4.23Å; F325-L386 HydrophobicContact CZ-CG 4.43Å; A334-L386 HydrophobicContact CB-CD2 4.45Å; L337-L386 HydrophobicContact CB-CD2 3.68Å; L337-L386 HydrophobicContact CD1-CD2 3.88Å; L337-L386 HydrophobicContact CG-CD2 4.46Å; V338-L386 HydrophobicContact CG2-CD1 3.86Å; V338-L386 HydrophobicContact CG2-CD2 4.15Å; V338-L386 HydrophobicContact CG2-CG 4.31Å; C382-L386 WeakPolarHBondContact O-CG 3.43Å; C382-L386 PolarHBondContact O-N 2.87Å; A383-L386 PolarHBondContact O-N 3.16Å; T384-L386 VanDerWaalsContact C-N 3.33Å; T384-L386 PolarHBondContact O-N 3.14Å; L386-R388 VanDerWaalsContact C-N 3.31Å; L386-R388 PolarHBondContact O-N 3.01Å; L386-Y389 WeakPolarHBondContact O-CB 3.36Å; L386-Y389 PolarHBondContact O-N 3.24Å; L386-Y389 VanDerWaalsContact O-N 3.12Å; L386-A390 PolarHBondContact O-N 2.86Å; L386-V424 HydrophobicContact CB-CG1 4.5Å; L386-V424 HydrophobicContact CD1-CG1 3.81Å; L386-V426 HydrophobicContact CD1-CG2 3.63Å
387	I	92.8	Very high	83.3	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.4	-42.6	177.1	-69	175.2	0	0	0	110.4	F11 N28 L30 A383 T384 Y389 A390 L391 M422 V424	F11-I387 HydrophobicContact CE1-CG2 4.34Å; F11-I387 HydrophobicContact CZ-CG2 4.44Å; N28-I387 HydrophobicContact CB-CD1 3.86Å; L30-I387 HydrophobicContact CB-CD1 4.43Å; L30-I387 HydrophobicContact CB-CG2 3.96Å; L30-I387 HydrophobicContact CD2-CG2 3.8Å; L30-I387 HydrophobicContact CG-CG2 4.49Å; A383-I387 WeakPolarHBondContact O-CG1 3.35Å; A383-I387 PolarHBondContact O-N 3.35Å; T384-I387 PolarHBondContact O-N 2.98Å; I387-Y389 VanDerWaalsContact C-N 3.29Å; I387-Y389 PolarHBondContact O-N 3.3Å; I387-A390 WeakPolarHBondContact O-CB 3.38Å; I387-A390 PolarHBondContact O-N 3.31Å; I387-L391 HydrophobicContact CG2-CD1 4.38Å; I387-L391 WeakPolarHBondContact O-CG 3.4Å; I387-L391 PolarHBondContact O-N 3.18Å; I387-L391 VanDerWaalsContact O-N 3.12Å; I387-M422 HydrophobicContact CG2-SD 4.3Å; I387-V424 HydrophobicContact CD1-CG2 4.27Å; I387-V424 HydrophobicContact CG1-CG2 3.88Å
388	R	90.1	Very high	82.4	Confident	41 Å²	41	43.4 Å²	43.4	16%	0.155	25%	0.246	C	C	.	.	H	α-helix	trans	-58.3	-44	175.9	-177.9	-171	-59.5	-77.8	-10.4	111.2	D379 T384 H385 L386 L391 T392 L404	D379-R388 IonicContact OD1-CZ 3.55Å; D379-R388 IonicContact OD1-NE 3.77Å; D379-R388 PolarHBondContact OD1-NE 3.47Å; D379-R388 IonicContact OD1-NH2 2.72Å; D379-R388 PolarHBondContact OD1-NH2 3.39Å; D379-R388 IonicContact OD2-CZ 2.85Å; D379-R388 IonicContact OD2-NE 2.79Å; D379-R388 PolarHBondContact OD2-NE 3.2Å; D379-R388 IonicContact OD2-NH2 3.16Å; T384-R388 VanDerWaalsContact O-CB 3.31Å; T384-R388 WeakPolarHBondContact O-CB 3.41Å; T384-R388 PolarHBondContact O-N 3.15Å; H385-R388 PolarHBondContact O-N 3.45Å; L386-R388 VanDerWaalsContact C-N 3.31Å; L386-R388 PolarHBondContact O-N 3.01Å; R388-L391 PolarHBondContact O-N 3.21Å; R388-T392 WeakPolarHBondContact O-CB 3.34Å; R388-T392 WeakPolarHBondContact O-CG2 3.38Å; R388-T392 PolarHBondContact O-N 3.11Å; R388-T392 PolarHBondContact O-OG1 2.9Å; R388-L404 HydrophobicContact CG-CD1 4.36Å; R388-L404 HydrophobicContact CG-CD2 4.25Å
389	Y	91.2	Very high	82	Confident	63 Å²	63	44.7 Å²	44.7	25%	0.247	24%	0.244	C	C	.	.	H	α-helix	trans	-63	-46.3	176.7	-177	-87.3	0	0	0	111.4	V329 M333 L337 H385 L386 I387 L391 T392 S393	V329-Y389 HydrophobicContact CG1-CD1 4.39Å; V329-Y389 HydrophobicContact CG1-CE1 4.44Å; V329-Y389 HydrophobicContact CG2-CD1 3.95Å; V329-Y389 HydrophobicContact CG2-CE1 4.37Å; M333-Y389 WeakPolarHBondContact CE-OH 3.33Å; M333-Y389 HydrophobicContact CG-CD1 4.45Å; M333-Y389 HydrophobicContact CG-CE1 3.61Å; M333-Y389 HydrophobicContact SD-CE1 4.42Å; M333-Y389 HydrophobicContact SD-CE2 4.43Å; L337-Y389 HydrophobicContact CD1-CD1 3.51Å; L337-Y389 HydrophobicContact CD1-CD2 3.77Å; L337-Y389 HydrophobicContact CD1-CE1 4.03Å; L337-Y389 HydrophobicContact CD1-CE2 4.24Å; L337-Y389 HydrophobicContact CD1-CG 3.38Å; L337-Y389 HydrophobicContact CD2-CD2 3.83Å; L337-Y389 HydrophobicContact CD2-CE2 4.19Å; L337-Y389 HydrophobicContact CD2-CG 4.26Å; L337-Y389 HydrophobicContact CG-CD2 4.44Å; L337-Y389 HydrophobicContact CG-CG 4.46Å; H385-Y389 PolarHBondContact O-N 3Å; L386-Y389 WeakPolarHBondContact O-CB 3.36Å; L386-Y389 PolarHBondContact O-N 3.24Å; L386-Y389 VanDerWaalsContact O-N 3.12Å; I387-Y389 VanDerWaalsContact C-N 3.29Å; I387-Y389 PolarHBondContact O-N 3.3Å; Y389-L391 PolarHBondContact O-N 3.28Å; Y389-T392 CarbonylContact O-C 3.54Å; Y389-T392 PolarHBondContact O-N 2.86Å; Y389-S393 PolarHBondContact O-N 3.09Å
390	A	92.5	Very high	81.2	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-54.6	-38.8	178.5	0	0	0	0	0	112.7	F325 M328 V329 L386 I387 M422	F325-A390 HydrophobicContact CD2-CB 4.02Å; F325-A390 HydrophobicContact CE2-CB 4.19Å; M328-A390 HydrophobicContact CB-CB 3.99Å; M328-A390 WeakPolarHBondContact CE-O 3.44Å; V329-A390 HydrophobicContact CG2-CB 3.65Å; L386-A390 PolarHBondContact O-N 2.86Å; I387-A390 WeakPolarHBondContact O-CB 3.38Å; I387-A390 PolarHBondContact O-N 3.31Å; A390-M422 HydrophobicContact CB-CE 4.1Å; A390-M422 HydrophobicContact CB-SD 4.2Å
391	L	89.3	Confident	80.7	Confident	11 Å²	11	50.7 Å²	50.7	6%	0.058	26%	0.263	C	S	.	.	H	α-helix	trans	-78.9	-15.7	178	-58.4	175.3	0	0	0	114.6	L30 I387 R388 Y389 L404 V407 L408 M422	L30-L391 HydrophobicContact CD2-CD1 3.63Å; L30-L391 HydrophobicContact CD2-CD2 3.73Å; L30-L391 HydrophobicContact CD2-CG 4.09Å; I387-L391 HydrophobicContact CG2-CD1 4.38Å; I387-L391 WeakPolarHBondContact O-CG 3.4Å; I387-L391 PolarHBondContact O-N 3.18Å; I387-L391 VanDerWaalsContact O-N 3.12Å; R388-L391 PolarHBondContact O-N 3.21Å; Y389-L391 PolarHBondContact O-N 3.28Å; L391-L404 HydrophobicContact CB-CD1 4.17Å; L391-L404 HydrophobicContact CD1-CD1 3.65Å; L391-V407 HydrophobicContact CB-CG1 4.25Å; L391-V407 HydrophobicContact CD1-CG1 4.47Å; L391-V407 HydrophobicContact CD2-CG1 3.78Å; L391-V407 HydrophobicContact CG-CG1 4.38Å; L391-L408 HydrophobicContact CD1-CD2 3.76Å; L391-L408 HydrophobicContact CD1-CG 4.28Å; L391-M422 HydrophobicContact CD2-CE 4.13Å; L391-M422 HydrophobicContact CD2-SD 4.27Å
392	T	86.4	Confident	80.1	Confident	13 Å²	13	54.6 Å²	54.6	8%	0.08	29%	0.287	C	S	.	.	H	α-helix	trans	-123.2	1.5	-169.3	58.4	0	0	0	0	113.8	R388 Y389 E394 F395 A396 L404	R388-T392 WeakPolarHBondContact O-CB 3.34Å; R388-T392 WeakPolarHBondContact O-CG2 3.38Å; R388-T392 PolarHBondContact O-N 3.11Å; R388-T392 PolarHBondContact O-OG1 2.9Å; Y389-T392 CarbonylContact O-C 3.54Å; Y389-T392 PolarHBondContact O-N 2.86Å; T392-E394 VanDerWaalsContact C-N 3.29Å; T392-E394 PolarHBondContact O-N 3.08Å; T392-F395 CarbonylContact O-C 3.38Å; T392-F395 WeakPolarHBondContact O-CA 3.26Å; T392-F395 WeakPolarHBondContact O-CB 3.22Å; T392-F395 PolarHBondContact O-N 3.06Å; T392-A396 PolarHBondContact O-N 2.83Å; T392-L404 HydrophobicContact CG2-CB 3.74Å; T392-L404 HydrophobicContact CG2-CD1 4.1Å
393	S	79.3	Confident	79.5	Confident	34 Å²	34	54.6 Å²	54.6	24%	0.238	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-56.1	-42.3	-176.5	55.1	0	0	0	0	112.2	Y389 F395 A396	Y389-S393 PolarHBondContact O-N 3.09Å; S393-F395 PolarHBondContact O-N 3.2Å; S393-A396 WeakPolarHBondContact O-CB 3.3Å; S393-A396 PolarHBondContact O-N 2.99Å
394	E	73.4	Confident	78.9	Confident	170 Å²	170	54.9 Å²	54.9	79%	0.794	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-69.2	-21.4	175.4	-59.8	-171.6	163.5	0	0	113.5	T392	T392-E394 VanDerWaalsContact C-N 3.29Å; T392-E394 PolarHBondContact O-N 3.08Å
395	F	68.8	Low	78.5	Confident	62 Å²	62	56.9 Å²	56.9	27%	0.272	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-97.4	11.7	179.6	-59	-83.5	0	0	0	112.4	T392 S393 E397 A398 Y406 V407	T392-F395 CarbonylContact O-C 3.38Å; T392-F395 WeakPolarHBondContact O-CA 3.26Å; T392-F395 WeakPolarHBondContact O-CB 3.22Å; T392-F395 PolarHBondContact O-N 3.06Å; S393-F395 PolarHBondContact O-N 3.2Å; F395-E397 PolarHBondContact O-N 2.92Å; F395-E397 VanDerWaalsContact O-N 3.16Å; F395-A398 CarbonylContact O-C 3.37Å; F395-A398 WeakPolarHBondContact O-CA 3.36Å; F395-A398 PolarHBondContact O-N 3.35Å; F395-Y406 HydrophobicContact CZ-CD1 4.35Å; F395-V407 HydrophobicContact CE2-CG2 4.15Å
396	A	60.5	Low	78.1	Confident	73 Å²	73	61.6 Å²	61.6	60%	0.603	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.4	-173.7	0	0	0	0	0	113.9	T392 S393	T392-A396 PolarHBondContact O-N 2.83Å; S393-A396 WeakPolarHBondContact O-CB 3.3Å; S393-A396 PolarHBondContact O-N 2.99Å
397	E	56.2	Low	77.6	Confident	205 Å²	205	62.4 Å²	62.4	96%	0.958	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-21.4	174.3	-62.9	-170.1	171.7	0	0	113.1	F395	F395-E397 PolarHBondContact O-N 2.92Å; F395-E397 VanDerWaalsContact O-N 3.16Å
398	A	60.2	Low	77.2	Confident	51 Å²	51	63.7 Å²	63.7	42%	0.421	33%	0.332	S	S	.	.	S	Bend	trans	-92.7	169.4	174.7	0	0	0	0	0	110.8	F395 P400	F395-A398 CarbonylContact O-C 3.37Å; F395-A398 WeakPolarHBondContact O-CA 3.36Å; F395-A398 PolarHBondContact O-N 3.35Å; A398-P400 WeakPolarHBondContact O-CD 3.34Å
399	N	68	Low	76.9	Confident	91 Å²	91	64.1 Å²	64.1	49%	0.487	35%	0.349	S	S	.	.			trans	-59.2	114.5	172.3	-179.4	-16.9	0	0	0	109.1	Y401 T402	N399-Y401 PolarHBondContact O-N 3.39Å; N399-Y401 WeakPolarHBondContact OD1-CB 3.39Å; N399-Y401 WeakPolarHBondContact OD1-CD2 3.44Å; N399-Y401 PolarHBondContact OD1-N 2.83Å; N399-Y401 VanDerWaalsContact OD1-N 3.1Å; N399-T402 VanDerWaalsContact O-CB 3.31Å; N399-T402 WeakPolarHBondContact O-CB 3.46Å; N399-T402 PolarHBondContact O-N 3.35Å; N399-T402 PolarHBondContact O-OG1 3.08Å
400	P	67	Low	76.6	Confident	65 Å²	65	62.2 Å²	62.2	42%	0.422	34%	0.343	S	S	.	.	H	α-helix	trans	-61.9	-22.1	-173	23.5	-34.3	0	0	0	112.6	A398 T402 L404	A398-P400 WeakPolarHBondContact O-CD 3.34Å; P400-T402 VanDerWaalsContact C-N 3.3Å; P400-T402 PolarHBondContact O-N 2.93Å; P400-L404 WeakPolarHBondContact O-CB 3.3Å; P400-L404 PolarHBondContact O-N 3.4Å
401	Y	73.9	Confident	76.2	Confident	131 Å²	131	66.1 Å²	66.1	51%	0.514	37%	0.368	S	S	.	.	H	α-helix	trans	-66.8	-31.1	173.4	-64.6	-71.1	0	0	0	112.7	N399 S405	N399-Y401 PolarHBondContact O-N 3.39Å; N399-Y401 WeakPolarHBondContact OD1-CB 3.39Å; N399-Y401 WeakPolarHBondContact OD1-CD2 3.44Å; N399-Y401 PolarHBondContact OD1-N 2.83Å; N399-Y401 VanDerWaalsContact OD1-N 3.1Å; Y401-S405 VanDerWaalsContact O-CB 3.23Å; Y401-S405 WeakPolarHBondContact O-CB 3.42Å; Y401-S405 PolarHBondContact O-N 3.2Å
402	T	73.7	Confident	75.6	Confident	89 Å²	89	69.3 Å²	69.3	55%	0.546	39%	0.388	S	S	.	.	H	α-helix	trans	-69.3	-49.9	177	-53.3	0	0	0	0	110.5	N399 P400 L404 S405 Y406	N399-T402 VanDerWaalsContact O-CB 3.31Å; N399-T402 WeakPolarHBondContact O-CB 3.46Å; N399-T402 PolarHBondContact O-N 3.35Å; N399-T402 PolarHBondContact O-OG1 3.08Å; P400-T402 VanDerWaalsContact C-N 3.3Å; P400-T402 PolarHBondContact O-N 2.93Å; T402-L404 VanDerWaalsContact C-N 3.35Å; T402-L404 PolarHBondContact O-N 3.21Å; T402-S405 PolarHBondContact O-N 2.9Å; T402-Y406 WeakPolarHBondContact O-CB 3.37Å; T402-Y406 PolarHBondContact O-N 3.46Å
403	G	77.7	Confident	75.3	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-58.5	-46.7	176.6	0	0	0	0	0	111.8	S405 Y406 V407	G403-S405 PolarHBondContact O-N 3.28Å; G403-Y406 WeakPolarHBondContact O-CB 3.38Å; G403-Y406 PolarHBondContact O-N 2.85Å; G403-V407 WeakPolarHBondContact O-CG2 3.34Å; G403-V407 PolarHBondContact O-N 3Å
404	L	81.6	Confident	75.7	Confident	5 Å²	5	75.3 Å²	75.3	3%	0.026	43%	0.434	C	S	.	.	H	α-helix	trans	-64.2	-41	178.3	-169.4	70.7	0	0	0	112.9	I7 R388 L391 T392 P400 T402 Y406 V407 L408	I7-L404 HydrophobicContact CD1-CD2 3.7Å; R388-L404 HydrophobicContact CG-CD1 4.36Å; R388-L404 HydrophobicContact CG-CD2 4.25Å; L391-L404 HydrophobicContact CB-CD1 4.17Å; L391-L404 HydrophobicContact CD1-CD1 3.65Å; T392-L404 HydrophobicContact CG2-CB 3.74Å; T392-L404 HydrophobicContact CG2-CD1 4.1Å; P400-L404 WeakPolarHBondContact O-CB 3.3Å; P400-L404 PolarHBondContact O-N 3.4Å; T402-L404 VanDerWaalsContact C-N 3.35Å; T402-L404 PolarHBondContact O-N 3.21Å; L404-Y406 VanDerWaalsContact C-N 3.26Å; L404-Y406 PolarHBondContact O-N 2.71Å; L404-V407 PolarHBondContact O-N 3.3Å; L404-L408 HydrophobicContact CD1-CD1 3.71Å; L404-L408 HydrophobicContact CD1-CG 3.9Å; L404-L408 HydrophobicContact CD2-CD1 4.18Å; L404-L408 HydrophobicContact CG-CD1 3.68Å; L404-L408 HydrophobicContact CG-CG 4.09Å; L404-L408 VanDerWaalsContact O-CB 3.29Å; L404-L408 WeakPolarHBondContact O-CB 3.49Å; L404-L408 WeakPolarHBondContact O-CG 3.41Å; L404-L408 PolarHBondContact O-N 2.87Å
405	S	81.5	Confident	76.5	Confident	54 Å²	54	67.2 Å²	67.2	38%	0.378	40%	0.396	S	S	.	.	H	α-helix	trans	-64.6	-34.9	177.2	-172.5	0	0	0	0	111.8	Y401 T402 G403 G409	Y401-S405 VanDerWaalsContact O-CB 3.23Å; Y401-S405 WeakPolarHBondContact O-CB 3.42Å; Y401-S405 PolarHBondContact O-N 3.2Å; T402-S405 PolarHBondContact O-N 2.9Å; G403-S405 PolarHBondContact O-N 3.28Å; S405-G409 WeakPolarHBondContact O-CA 3.35Å; S405-G409 PolarHBondContact O-N 3.05Å; S405-G409 VanDerWaalsContact O-N 3.09Å
406	Y	81.6	Confident	77.5	Confident	136 Å²	136	69.6 Å²	69.6	53%	0.533	40%	0.403	S	S	.	.	H	α-helix	trans	-64.9	-57.2	174.2	-178.9	-98.5	0	0	0	110.1	F395 T402 G403 L404 L408 G409 I410	F395-Y406 HydrophobicContact CZ-CD1 4.35Å; T402-Y406 WeakPolarHBondContact O-CB 3.37Å; T402-Y406 PolarHBondContact O-N 3.46Å; G403-Y406 WeakPolarHBondContact O-CB 3.38Å; G403-Y406 PolarHBondContact O-N 2.85Å; L404-Y406 VanDerWaalsContact C-N 3.26Å; L404-Y406 PolarHBondContact O-N 2.71Å; Y406-L408 PolarHBondContact O-N 3.05Å; Y406-G409 WeakPolarHBondContact O-CA 3.49Å; Y406-G409 PolarHBondContact O-N 3.1Å; Y406-I410 WeakPolarHBondContact O-CG1 3.35Å; Y406-I410 PolarHBondContact O-N 2.95Å
407	V	83.5	Confident	78.9	Confident	16 Å²	16	70 Å²	70	10%	0.097	41%	0.407	C	S	.	.	H	α-helix	trans	-65.5	-41.4	-174	178.9	0	0	0	0	112.9	L391 F395 G403 L404 G409 I410 R419	L391-V407 HydrophobicContact CB-CG1 4.25Å; L391-V407 HydrophobicContact CD1-CG1 4.47Å; L391-V407 HydrophobicContact CD2-CG1 3.78Å; L391-V407 HydrophobicContact CG-CG1 4.38Å; F395-V407 HydrophobicContact CE2-CG2 4.15Å; G403-V407 WeakPolarHBondContact O-CG2 3.34Å; G403-V407 PolarHBondContact O-N 3Å; L404-V407 PolarHBondContact O-N 3.3Å; V407-G409 VanDerWaalsContact C-N 3.27Å; V407-G409 PolarHBondContact O-N 3.43Å; V407-I410 WeakPolarHBondContact O-CB 3.37Å; V407-I410 WeakPolarHBondContact O-CG1 3.45Å; V407-I410 PolarHBondContact O-N 2.85Å; V407-R419 PolarHBondContact O-NH1 3.45Å
408	L	84.5	Confident	80.4	Confident	28 Å²	28	66.7 Å²	66.7	15%	0.147	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-11	176	-62.6	-176.4	0	0	0	113.3	I7 L30 L391 L404 Y406	I7-L408 HydrophobicContact CD1-CD1 3.97Å; I7-L408 HydrophobicContact CG1-CD1 3.55Å; L30-L408 HydrophobicContact CD1-CD2 3.98Å; L30-L408 HydrophobicContact CD2-CD2 4.42Å; L391-L408 HydrophobicContact CD1-CD2 3.76Å; L391-L408 HydrophobicContact CD1-CG 4.28Å; L404-L408 HydrophobicContact CD1-CD1 3.71Å; L404-L408 HydrophobicContact CD1-CG 3.9Å; L404-L408 HydrophobicContact CD2-CD1 4.18Å; L404-L408 HydrophobicContact CG-CD1 3.68Å; L404-L408 HydrophobicContact CG-CG 4.09Å; L404-L408 VanDerWaalsContact O-CB 3.29Å; L404-L408 WeakPolarHBondContact O-CB 3.49Å; L404-L408 WeakPolarHBondContact O-CG 3.41Å; L404-L408 PolarHBondContact O-N 2.87Å; Y406-L408 PolarHBondContact O-N 3.05Å
409	G	84.6	Confident	81.9	Confident	49 Å²	49	65.5 Å²	65.5	51%	0.505	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-17.9	173	0	0	0	0	0	113.2	S405 Y406 V407	S405-G409 WeakPolarHBondContact O-CA 3.35Å; S405-G409 PolarHBondContact O-N 3.05Å; S405-G409 VanDerWaalsContact O-N 3.09Å; Y406-G409 WeakPolarHBondContact O-CA 3.49Å; Y406-G409 PolarHBondContact O-N 3.1Å; V407-G409 VanDerWaalsContact C-N 3.27Å; V407-G409 PolarHBondContact O-N 3.43Å
410	I	84.6	Confident	83.1	Confident	23 Å²	23	62.2 Å²	62.2	12%	0.118	35%	0.353	C	S	.	.	S	Bend	trans	-61.7	126.6	179.4	-59.1	172	0	0	0	109.2	Y406 V407 L414 Y418	Y406-I410 WeakPolarHBondContact O-CG1 3.35Å; Y406-I410 PolarHBondContact O-N 2.95Å; V407-I410 WeakPolarHBondContact O-CB 3.37Å; V407-I410 WeakPolarHBondContact O-CG1 3.45Å; V407-I410 PolarHBondContact O-N 2.85Å; I410-L414 HydrophobicContact CG2-CB 3.71Å; I410-Y418 HydrophobicContact CD1-CD1 4.24Å; I410-Y418 HydrophobicContact CD1-CD2 3.65Å; I410-Y418 HydrophobicContact CD1-CE2 4.08Å; I410-Y418 HydrophobicContact CD1-CG 3.73Å; I410-Y418 HydrophobicContact CG2-CD2 4.12Å; I410-Y418 HydrophobicContact CG2-CE2 4.24Å
411	P	84.1	Confident	84.4	Confident	83 Å²	83	59.1 Å²	59.1	54%	0.539	33%	0.333	S	S	.	.			trans	-55.1	145.5	175.7	-25.7	34.3	0	0	0	111.9	G413 L414 A415	P411-G413 PolarHBondContact O-N 3.4Å; P411-G413 VanDerWaalsContact O-N 3.08Å; P411-L414 HydrophobicContact CG-CD1 4.44Å; P411-L414 PolarHBondContact O-N 3.19Å; P411-A415 PolarHBondContact O-N 3.43Å; P411-A415 VanDerWaalsContact O-N 3.1Å
412	T	76.4	Confident	85.4	Confident	77 Å²	77	52.9 Å²	52.9	47%	0.472	31%	0.309	S	S	.	.	H	α-helix	trans	-57.9	-30.9	-175	56	0	0	0	0	113.6	L414	T412-L414 PolarHBondContact O-N 3.05Å
413	G	80.6	Confident	86.4	Confident	72 Å²	72	48.7 Å²	48.7	74%	0.742	28%	0.283	S	S	*	.	H	α-helix	trans	-72.4	-11.4	176.3	0	0	0	0	0	115	P411	P411-G413 PolarHBondContact O-N 3.4Å; P411-G413 VanDerWaalsContact O-N 3.08Å
414	L	88.2	Confident	87.3	Confident	101 Å²	101	48.7 Å²	48.7	53%	0.529	28%	0.283	S	S	.	.	H	α-helix	trans	-111.7	-13.3	177.3	-65.2	177.1	0	0	0	112.4	I410 P411 T412 R416 A417 Y418	I410-L414 HydrophobicContact CG2-CB 3.71Å; P411-L414 HydrophobicContact CG-CD1 4.44Å; P411-L414 PolarHBondContact O-N 3.19Å; T412-L414 PolarHBondContact O-N 3.05Å; L414-R416 VanDerWaalsContact C-N 3.27Å; L414-R416 PolarHBondContact O-N 2.9Å; L414-A417 WeakPolarHBondContact O-CB 3.41Å; L414-A417 PolarHBondContact O-N 3.01Å; L414-Y418 WeakPolarHBondContact O-CD2 3.38Å
415	A	89.4	Confident	88	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.2	-39.4	-175.6	0	0	0	0	0	112.8	A32 P411 A417 Y418 R419	A32-A415 HydrophobicContact CB-CB 4.41Å; P411-A415 PolarHBondContact O-N 3.43Å; P411-A415 VanDerWaalsContact O-N 3.1Å; A415-A417 PolarHBondContact O-N 3.47Å; A415-A417 VanDerWaalsContact O-N 3.13Å; A415-Y418 PolarHBondContact O-N 3.4Å; A415-R419 PolarHBondContact O-N 3.37Å; A415-R419 VanDerWaalsContact O-N 3.1Å
416	R	90.6	Very high	88.7	Confident	112 Å²	112	45.9 Å²	45.9	42%	0.423	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.7	178.4	-172.9	58	-171.3	-142.7	16	114.6	N33 L414 Y418 R419 D420	N33-R416 PolarHBondContact ND2-NH1 3.24Å; L414-R416 VanDerWaalsContact C-N 3.27Å; L414-R416 PolarHBondContact O-N 2.9Å; R416-Y418 VanDerWaalsContact C-N 3.26Å; R416-Y418 PolarHBondContact O-N 3.44Å; R416-R419 WeakPolarHBondContact CA-O 3.46Å; R416-D420 IonicContact CZ-OD1 3.71Å; R416-D420 IonicContact CZ-OD2 2.75Å; R416-D420 IonicContact NE-OD2 3.67Å; R416-D420 VanDerWaalsContact NH1-CG 3.25Å; R416-D420 IonicContact NH1-OD1 3.39Å; R416-D420 PolarHBondContact NH1-OD1 2.95Å; R416-D420 IonicContact NH1-OD2 3.99Å; R416-D420 PolarHBondContact NH1-OD2 3.16Å; R416-D420 IonicContact NH2-OD1 3.52Å; R416-D420 PolarHBondContact NH2-OD1 3.44Å; R416-D420 IonicContact NH2-OD2 3.74Å; R416-D420 PolarHBondContact NH2-OD2 2.93Å
417	A	88.6	Confident	89.3	Confident	83 Å²	83	39.4 Å²	39.4	69%	0.686	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-12.5	174.7	0	0	0	0	0	113.4	L414 A415	L414-A417 WeakPolarHBondContact O-CB 3.41Å; L414-A417 PolarHBondContact O-N 3.01Å; A415-A417 PolarHBondContact O-N 3.47Å; A415-A417 VanDerWaalsContact O-N 3.13Å
418	Y	88.2	Confident	89.8	Confident	134 Å²	134	39.2 Å²	39.2	53%	0.525	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-18.8	-174.4	-62.8	-88.3	0	0	0	113.7	I410 L414 A415 R416	I410-Y418 HydrophobicContact CD1-CD1 4.24Å; I410-Y418 HydrophobicContact CD1-CD2 3.65Å; I410-Y418 HydrophobicContact CD1-CE2 4.08Å; I410-Y418 HydrophobicContact CD1-CG 3.73Å; I410-Y418 HydrophobicContact CG2-CD2 4.12Å; I410-Y418 HydrophobicContact CG2-CE2 4.24Å; L414-Y418 WeakPolarHBondContact O-CD2 3.38Å; A415-Y418 PolarHBondContact O-N 3.4Å; R416-Y418 VanDerWaalsContact C-N 3.26Å; R416-Y418 PolarHBondContact O-N 3.44Å
419	R	90.7	Very high	90.2	Very high	27 Å²	27	38.3 Å²	38.3	10%	0.102	23%	0.231	C	C	.	.			trans	-158.8	164.2	178.5	61.6	167.7	-171.1	-76.6	0.6	110.5	P31 A32 V407 A415 R416 M422	P31-R419 PolarHBondContact O-NE 3.43Å; P31-R419 PolarHBondContact O-NH2 3.26Å; A32-R419 HydrophobicContact CB-CG 3.95Å; A32-R419 VanDerWaalsContact CB-O 3.29Å; A32-R419 WeakPolarHBondContact CB-O 3.34Å; V407-R419 PolarHBondContact O-NH1 3.45Å; A415-R419 PolarHBondContact O-N 3.37Å; A415-R419 VanDerWaalsContact O-N 3.1Å; R416-R419 WeakPolarHBondContact CA-O 3.46Å; R419-M422 HydrophobicContact CB-CE 4.31Å
420	D	93.8	Very high	90.3	Very high	22 Å²	22	37.4 Å²	37.4	12%	0.118	22%	0.216	C	C	.	.			trans	-88.9	171.8	165.2	-141.7	-46.3	0	0	0	112.2	A32 G324 R416	A32-D420 WeakPolarHBondContact CB-O 3.42Å; G324-D420 VanDerWaalsContact CA-CB 3.46Å; R416-D420 IonicContact CZ-OD1 3.71Å; R416-D420 IonicContact CZ-OD2 2.75Å; R416-D420 IonicContact NE-OD2 3.67Å; R416-D420 VanDerWaalsContact NH1-CG 3.25Å; R416-D420 IonicContact NH1-OD1 3.39Å; R416-D420 PolarHBondContact NH1-OD1 2.95Å; R416-D420 IonicContact NH1-OD2 3.99Å; R416-D420 PolarHBondContact NH1-OD2 3.16Å; R416-D420 IonicContact NH2-OD1 3.52Å; R416-D420 PolarHBondContact NH2-OD1 3.44Å; R416-D420 IonicContact NH2-OD2 3.74Å; R416-D420 PolarHBondContact NH2-OD2 2.93Å
421	D	94.7	Very high	89.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.237	C	C	.	.			trans	-57.4	137.4	158.5	-67.3	-30.1	0	0	0	108.3	L30 P31 A32 N33 E37 D38 G324	L30-D421 WeakPolarHBondContact O-CA 3.39Å; P31-D421 WeakPolarHBondContact CA-OD1 3.37Å; A32-D421 WeakPolarHBondContact CA-OD1 3.41Å; A32-D421 PolarHBondContact N-OD1 2.93Å; N33-D421 PolarHBondContact N-OD1 3.27Å; N33-D421 PolarHBondContact ND2-OD2 3.35Å; E37-D421 PolarHBondContact N-OD2 3.18Å; D38-D421 HydrophobicContact CB-CB 3.79Å; G324-D421 WeakPolarHBondContact CA-O 3.4Å
422	M	95.2	Very high	88.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.5	179.7	-65.7	172.4	176.6	0	0	109.6	C29 L30 D38 G324 M328 I387 A390 L391 R419	C29-M422 CarbonylContact C-O 3.57Å; C29-M422 WeakPolarHBondContact CA-O 3.45Å; L30-M422 HydrophobicContact CB-CB 4.36Å; L30-M422 HydrophobicContact CD2-SD 4.33Å; L30-M422 PolarHBondContact N-O 3.46Å; L30-M422 PolarHBondContact O-N 3.01Å; D38-M422 VanDerWaalsContact OD2-C 3.27Å; G324-M422 WeakPolarHBondContact O-CE 3.31Å; G324-M422 WeakPolarHBondContact O-CG 3.48Å; M328-M422 HydrophobicContact CG-CE 3.78Å; I387-M422 HydrophobicContact CG2-SD 4.3Å; A390-M422 HydrophobicContact CB-CE 4.1Å; A390-M422 HydrophobicContact CB-SD 4.2Å; L391-M422 HydrophobicContact CD2-CE 4.13Å; L391-M422 HydrophobicContact CD2-SD 4.27Å; R419-M422 HydrophobicContact CB-CE 4.31Å
423	T	95.1	Very high	88.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	127.2	172.3	-62.2	0	0	0	0	108.9	N28 C29 D38 H40 V55 A321 S322	N28-T423 WeakPolarHBondContact O-CA 3.15Å; C29-T423 PolarHBondContact SG-OG1 2.77Å; D38-T423 VanDerWaalsContact CB-OG1 3.29Å; D38-T423 WeakPolarHBondContact CB-OG1 3.04Å; D38-T423 VanDerWaalsContact CG-OG1 3.29Å; D38-T423 VanDerWaalsContact OD2-CB 3.23Å; D38-T423 WeakPolarHBondContact OD2-CB 3.33Å; D38-T423 PolarHBondContact OD2-N 2.66Å; D38-T423 PolarHBondContact OD2-OG1 3.48Å; H40-T423 HydrophobicContact CB-CG2 3.74Å; V55-T423 HydrophobicContact CB-CG2 4.48Å; V55-T423 HydrophobicContact CG1-CG2 3.99Å; V55-T423 HydrophobicContact CG2-CG2 3.87Å; A321-T423 WeakPolarHBondContact CA-O 3.29Å; A321-T423 VanDerWaalsContact CB-O 3.23Å; A321-T423 WeakPolarHBondContact CB-O 3.42Å; S322-T423 PolarHBondContact N-O 2.91Å; S322-T423 VanDerWaalsContact N-O 3.11Å; S322-T423 PolarHBondContact OG-N 2.9Å
424	V	96.3	Very high	89.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	126.7	-173.5	-176.5	0	0	0	0	110.3	C27 N28 V319 L320 A321 F325 A383 L386 I387 V426	C27-V424 CarbonylContact C-O 3.58Å; C27-V424 WeakPolarHBondContact CA-O 3.45Å; N28-V424 PolarHBondContact N-O 3.26Å; N28-V424 PolarHBondContact O-N 3.06Å; V319-V424 HydrophobicContact CG1-CG1 4.16Å; L320-V424 CarbonylContact O-C 3.49Å; L320-V424 WeakPolarHBondContact O-CA 3.37Å; A321-V424 HydrophobicContact CB-CB 4.3Å; A321-V424 HydrophobicContact CB-CG1 4.35Å; A321-V424 HydrophobicContact CB-CG2 3.88Å; F325-V424 HydrophobicContact CB-CG2 3.89Å; F325-V424 HydrophobicContact CD1-CG2 4.32Å; F325-V424 HydrophobicContact CD2-CG2 3.86Å; F325-V424 HydrophobicContact CG-CG2 3.74Å; A383-V424 HydrophobicContact CB-CB 4.16Å; A383-V424 HydrophobicContact CB-CG1 4.14Å; A383-V424 VanDerWaalsContact CB-O 3.31Å; A383-V424 WeakPolarHBondContact CB-O 3.28Å; L386-V424 HydrophobicContact CB-CG1 4.5Å; L386-V424 HydrophobicContact CD1-CG1 3.81Å; I387-V424 HydrophobicContact CD1-CG2 4.27Å; I387-V424 HydrophobicContact CG1-CG2 3.88Å; V424-V426 HydrophobicContact CG1-CG2 4.44Å
425	F	95.2	Very high	89.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	145.6	161.2	-73.7	-94.5	0	0	0	111.1	Y25 H26 C27 H40 A41 E42 F53 G54 V55 V319 L320 I427	Y25-F425 AromaticContact CD2-CD1 3.94Å; Y25-F425 HydrophobicContact CD2-CD1 3.94Å; Y25-F425 HydrophobicContact CD2-CE1 4.06Å; Y25-F425 HydrophobicContact CE2-CD1 4.47Å; Y25-F425 HydrophobicContact CE2-CE1 4.12Å; H26-F425 CarbonylContact O-C 3.54Å; H26-F425 VanDerWaalsContact O-CA 3.29Å; H26-F425 WeakPolarHBondContact O-CA 3.43Å; C27-F425 HydrophobicContact CB-CD1 3.63Å; C27-F425 HydrophobicContact CB-CE1 3.53Å; C27-F425 HydrophobicContact CB-CG 4.28Å; C27-F425 HydrophobicContact CB-CZ 4.12Å; C27-F425 VanDerWaalsContact SG-CE1 3.51Å; C27-F425 WeakPolarHBondContact SG-CZ 3.26Å; H40-F425 HydrophobicContact CB-CE2 3.63Å; H40-F425 HydrophobicContact CB-CZ 3.78Å; H40-F425 AromaticContact ND1-CZ 3.87Å; A41-F425 WeakPolarHBondContact O-CZ 3.27Å; E42-F425 HydrophobicContact CB-CE1 4.24Å; E42-F425 WeakPolarHBondContact OE2-CZ 3.43Å; F53-F425 HydrophobicContact CD1-CD1 4.1Å; F53-F425 HydrophobicContact CD1-CE1 4.05Å; G54-F425 VanDerWaalsContact O-CE2 3.3Å; G54-F425 WeakPolarHBondContact O-CE2 3.47Å; V55-F425 HydrophobicContact CG2-CD2 3.63Å; V55-F425 HydrophobicContact CG2-CE2 3.91Å; V319-F425 VanDerWaalsContact CA-O 3.31Å; V319-F425 WeakPolarHBondContact CA-O 3.45Å; L320-F425 HydrophobicContact CB-CB 4.16Å; L320-F425 HydrophobicContact CD2-CD2 4.14Å; L320-F425 PolarHBondContact N-O 3.39Å; L320-F425 PolarHBondContact O-N 2.94Å; F425-I427 HydrophobicContact CB-CG1 4.4Å
426	V	95.9	Very high	89.3	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	109.8	164.2	-173.9	0	0	0	0	107.5	Y25 H26 F317 L318 V338 C382 A383 L386 V424 Y428	Y25-V426 CarbonylContact C-O 3.55Å; Y25-V426 WeakPolarHBondContact CA-O 3.41Å; H26-V426 HydrophobicContact CB-CB 4.48Å; H26-V426 PolarHBondContact N-O 2.92Å; H26-V426 PolarHBondContact O-N 3.14Å; F317-V426 HydrophobicContact CB-CG1 4.41Å; F317-V426 HydrophobicContact CD2-CG1 4.42Å; L318-V426 CarbonylContact O-C 3.38Å; L318-V426 WeakPolarHBondContact O-CA 3.33Å; V338-V426 HydrophobicContact CG1-CG1 3.71Å; V338-V426 HydrophobicContact CG2-CG1 4.13Å; V338-V426 HydrophobicContact CG2-CG2 4.28Å; C382-V426 HydrophobicContact CB-CB 4.5Å; C382-V426 HydrophobicContact CB-CG2 4.27Å; A383-V426 HydrophobicContact CB-CG2 4.43Å; L386-V426 HydrophobicContact CD1-CG2 3.63Å; V424-V426 HydrophobicContact CG1-CG2 4.44Å; V426-Y428 HydrophobicContact CB-CE2 4.39Å; V426-Y428 HydrophobicContact CG1-CE1 3.88Å; V426-Y428 HydrophobicContact CG1-CE2 3.88Å; V426-Y428 VanDerWaalsContact CG1-CZ 3.5Å
427	I	94.9	Very high	89.2	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.9	-176.5	-58.2	151.5	0	0	0	108	V22 F53 F317 L318 F425 F429	V22-I427 HydrophobicContact CG1-CG2 3.7Å; F53-I427 HydrophobicContact CB-CD1 3.63Å; F53-I427 HydrophobicContact CB-CG1 4.47Å; F53-I427 HydrophobicContact CD1-CD1 4.18Å; F53-I427 HydrophobicContact CD1-CG1 4.14Å; F53-I427 HydrophobicContact CD2-CD1 3.57Å; F53-I427 HydrophobicContact CD2-CG1 4.06Å; F53-I427 HydrophobicContact CD2-CG2 4.44Å; F53-I427 HydrophobicContact CE1-CG1 4.41Å; F53-I427 HydrophobicContact CE2-CD1 4.26Å; F53-I427 HydrophobicContact CE2-CG1 4.31Å; F53-I427 HydrophobicContact CE2-CG2 4.04Å; F53-I427 HydrophobicContact CG-CD1 3.52Å; F53-I427 HydrophobicContact CG-CG1 3.97Å; F53-I427 HydrophobicContact CZ-CG1 4.48Å; F53-I427 HydrophobicContact CZ-CG2 4.36Å; F317-I427 CarbonylContact C-O 3.59Å; F317-I427 WeakPolarHBondContact CA-O 3.14Å; F317-I427 VanDerWaalsContact CB-O 3.24Å; F317-I427 WeakPolarHBondContact CB-O 3.34Å; L318-I427 HydrophobicContact CB-CB 4.37Å; L318-I427 HydrophobicContact CD2-CD1 4.15Å; L318-I427 PolarHBondContact N-O 3.1Å; L318-I427 PolarHBondContact O-N 2.52Å; F425-I427 HydrophobicContact CB-CG1 4.4Å; I427-F429 HydrophobicContact CG2-CE1 4.08Å; I427-F429 HydrophobicContact CG2-CZ 4.31Å
428	Y	94.2	Very high	89.2	Confident	13 Å²	13	29.3 Å²	29.3	5%	0.051	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	133.1	-177.6	-59.5	-83.5	0	0	0	111.4	Q23 S24 H26 F317 V338 M342 C382 V426	Q23-Y428 PolarHBondContact N-O 3.07Å; S24-Y428 PolarHBondContact N-O 3.42Å; S24-Y428 PolarHBondContact O-N 3.4Å; S24-Y428 WeakPolarHBondContact OG-CD2 3.48Å; H26-Y428 AromaticContact CE1-CE2 3.93Å; H26-Y428 AromaticContact ND1-CE2 3.63Å; F317-Y428 HydrophobicContact CB-CD1 3.86Å; F317-Y428 HydrophobicContact CB-CE1 4.27Å; V338-Y428 HydrophobicContact CG1-CE1 3.92Å; M342-Y428 HydrophobicContact CE-CD1 4.08Å; M342-Y428 HydrophobicContact CE-CE1 4.37Å; M342-Y428 HydrophobicContact CG-CD1 4.2Å; M342-Y428 HydrophobicContact CG-CE1 3.56Å; M342-Y428 HydrophobicContact SD-CD1 3.93Å; M342-Y428 HydrophobicContact SD-CE1 3.71Å; C382-Y428 WeakPolarHBondContact CB-OH 3.46Å; V426-Y428 HydrophobicContact CB-CE2 4.39Å; V426-Y428 HydrophobicContact CG1-CE1 3.88Å; V426-Y428 HydrophobicContact CG1-CE2 3.88Å; V426-Y428 VanDerWaalsContact CG1-CZ 3.5Å
429	F	93.4	Very high	89.3	Confident	8 Å²	8	21.8 Å²	21.8	4%	0.035	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-101	144.7	174.4	-56.7	-59.8	0	0	0	110.1	V189 L206 L311 K316 L318 I427	V189-F429 HydrophobicContact CG1-CE1 4.02Å; V189-F429 HydrophobicContact CG2-CE1 4.35Å; L206-F429 HydrophobicContact CD1-CD2 4.47Å; L206-F429 HydrophobicContact CD1-CE2 3.85Å; L311-F429 HydrophobicContact CD1-CD1 3.77Å; L311-F429 HydrophobicContact CD1-CD2 4.27Å; L311-F429 HydrophobicContact CD1-CE1 3.68Å; L311-F429 HydrophobicContact CD1-CE2 4.18Å; L311-F429 HydrophobicContact CD1-CG 4.08Å; L311-F429 HydrophobicContact CD1-CZ 3.9Å; L311-F429 HydrophobicContact CD2-CD2 3.89Å; L311-F429 HydrophobicContact CD2-CE2 3.69Å; L311-F429 HydrophobicContact CD2-CG 4.46Å; L311-F429 HydrophobicContact CD2-CZ 4.11Å; K316-F429 PolarHBondContact O-N 3.45Å; L318-F429 HydrophobicContact CB-CE2 3.89Å; L318-F429 HydrophobicContact CB-CZ 4.02Å; I427-F429 HydrophobicContact CG2-CE1 4.08Å; I427-F429 HydrophobicContact CG2-CZ 4.31Å
430	P	86	Confident	89.2	Confident	31 Å²	31	21.4 Å²	21.4	20%	0.201	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-66	141.9	175.8	25.3	-27.8	0	0	0	110.1	A20 F21 V432	A20-P430 VanDerWaalsContact O-CG 3.23Å; A20-P430 WeakPolarHBondContact O-CG 3.07Å; F21-P430 VanDerWaalsContact O-CD 3.23Å; F21-P430 WeakPolarHBondContact O-CD 3.5Å; P430-V432 PolarHBondContact O-N 3Å; P430-V432 VanDerWaalsContact O-N 3.14Å
431	S	71.1	Confident	88.8	Confident	80 Å²	80	21.3 Å²	21.3	56%	0.559	13%	0.133	S	C	*	.			trans	-71.9	103.9	162	-59.6	0	0	0	0	106.4	K316	K316-S431 PolarHBondContact NZ-OG 3.42Å
432	V	54	Low	88.3	Confident	124 Å²	124	23.3 Å²	23.3	75%	0.752	15%	0.145	S	C	*	.			trans	-73	0	178.4	-166.8	0	0	0	0	110.2	E313 P430	E313-V432 HydrophobicContact CG-CB 3.99Å; E313-V432 WeakPolarHBondContact CG-O 3.37Å; P430-V432 PolarHBondContact O-N 3Å; P430-V432 VanDerWaalsContact O-N 3.14Å

Retrieved 432 of 432 residues in 405.7 ms (Link to these results)

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