X5J4D2_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4D2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 115 aa.

						>X5J4D2_MOUSE|X5J4D2
ELVRPGASVTLSCKASGYTFTDYEMHWVKQTPVHGLEWIGAIDPETGGTAYNQKFKGKAILTADKSSSTAYMELRSLTSEDSAVYYCTRENGSYYDYDGGWFAYWGQGTLVTVSA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	E	78.6	Confident	94	Very high	118 Å²	118	70.5 Å²	70.5	55%	0.551	40%	0.399	S	S	*	.				0	130.8	0	-159.5	169.9	150.8	0	0	110.1	V3 V9 L110 V111 T112	E1-V3 HydrophobicContact CB-CG1 4.45Å; E1-V3 HydrophobicContact CG-CG1 3.87Å; E1-V9 HydrophobicContact CG-CG2 4.46Å; E1-V9 WeakPolarHBondContact OE2-CG2 3.49Å; E1-L110 PolarHBondContact N-O 2.72Å; E1-V111 WeakPolarHBondContact O-CA 3.45Å; E1-T112 PolarHBondContact O-N 3.26Å
2	L	91.5	Very high	94.3	Very high	126 Å²	126	71.5 Å²	71.5	66%	0.66	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	119.5	172.5	179.7	65	0	0	0	108.3	T112 S114	L2-T112 WeakPolarHBondContact CA-O 3.44Å; L2-T112 HydrophobicContact CD1-CG2 3.93Å; L2-S114 WeakPolarHBondContact CD1-OG 3.31Å
3	V	93.3	Very high	94.6	Very high	13 Å²	13	67.2 Å²	67.2	8%	0.079	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	153.4	-174.9	-65.6	0	0	0	0	111	E1 L77 V111 T112 V113 S114	E1-V3 HydrophobicContact CB-CG1 4.45Å; E1-V3 HydrophobicContact CG-CG1 3.87Å; V3-L77 HydrophobicContact CB-CD1 4.48Å; V3-L77 HydrophobicContact CG2-CD1 3.72Å; V3-V111 HydrophobicContact CG2-CG1 4.06Å; V3-T112 WeakPolarHBondContact CG2-O 3.39Å; V3-T112 PolarHBondContact N-O 2.67Å; V3-V113 HydrophobicContact CG2-CB 4.22Å; V3-V113 HydrophobicContact CG2-CG1 4.33Å; V3-V113 HydrophobicContact CG2-CG2 3.72Å; V3-V113 WeakPolarHBondContact O-CA 3.1Å; V3-S114 PolarHBondContact O-N 2.78Å; V3-S114 VanDerWaalsContact O-N 3.07Å
4	R	94.3	Very high	94.7	Very high	192 Å²	192	73.4 Å²	73.4	73%	0.725	41%	0.41	S	S	*	.			trans	-82.6	150.9	175.9	-66.4	-177.8	-178.8	175.5	0.9	110.9	G6 A7	R4-G6 PolarHBondContact O-N 3.11Å; R4-A7 WeakPolarHBondContact O-CB 3.38Å; R4-A7 PolarHBondContact O-N 2.94Å; R4-A7 VanDerWaalsContact O-N 3.15Å
5	P	95.8	Very high	94.6	Very high	74 Å²	74	69.3 Å²	69.3	48%	0.481	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	140.1	170.5	-25	33.7	0	0	0	112	A7 L77 V113 S114	P5-A7 VanDerWaalsContact C-N 3.25Å; P5-A7 PolarHBondContact O-N 3.16Å; P5-L77 CarbonylContact C-O 3.55Å; P5-L77 WeakPolarHBondContact CA-O 3.49Å; P5-V113 HydrophobicContact CB-CG1 4.48Å; P5-V113 HydrophobicContact CG-CG1 4.21Å; P5-S114 WeakPolarHBondContact CD-O 3.41Å
6	G	94.5	Very high	94.5	Very high	53 Å²	53	71.3 Å²	71.3	55%	0.546	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	-13	-177.3	0	0	0	0	0	114.9	R4 L77	R4-G6 PolarHBondContact O-N 3.11Å; G6-L77 PolarHBondContact N-O 2.86Å
7	A	95.9	Very high	94.2	Very high	37 Å²	37	72.4 Å²	72.4	31%	0.306	44%	0.439	S	S	.	.			trans	-70.2	166.1	175	0	0	0	0	0	112	R4 P5 S76 L77	R4-A7 WeakPolarHBondContact O-CB 3.38Å; R4-A7 PolarHBondContact O-N 2.94Å; R4-A7 VanDerWaalsContact O-N 3.15Å; P5-A7 VanDerWaalsContact C-N 3.25Å; P5-A7 PolarHBondContact O-N 3.16Å; A7-S76 PolarHBondContact O-N 3.15Å; A7-L77 WeakPolarHBondContact O-CB 3.29Å; A7-L77 WeakPolarHBondContact O-CG 3.24Å; A7-L77 PolarHBondContact O-N 2.85Å
8	S	96.8	Very high	93.9	Very high	62 Å²	62	71.4 Å²	71.4	43%	0.434	43%	0.427	S	S	.	.			trans	-112.2	151.1	168.7	-56.6	0	0	0	0	110.1	L74 R75	S8-L74 CarbonylContact C-O 3.54Å; S8-L74 WeakPolarHBondContact CA-O 3.37Å; S8-L74 WeakPolarHBondContact CB-O 3.38Å; S8-R75 WeakPolarHBondContact OG-CA 3.23Å
9	V	97.3	Very high	93.8	Very high	4 Å²	4	71.9 Å²	71.9	2%	0.024	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145	173.3	71.1	0	0	0	0	110	E1 L11 E73 L74 L77 V111	E1-V9 HydrophobicContact CG-CG2 4.46Å; E1-V9 WeakPolarHBondContact OE2-CG2 3.49Å; V9-L11 HydrophobicContact CG2-CD2 4.2Å; V9-E73 CarbonylContact O-C 3.59Å; V9-E73 WeakPolarHBondContact O-CA 3.47Å; V9-L74 HydrophobicContact CG1-CB 4.09Å; V9-L74 HydrophobicContact CG1-CD1 4.25Å; V9-L74 PolarHBondContact N-O 2.81Å; V9-L74 PolarHBondContact O-N 3.12Å; V9-L77 HydrophobicContact CB-CD1 4.07Å; V9-L77 HydrophobicContact CG1-CD1 3.73Å; V9-V111 HydrophobicContact CG1-CG1 4.35Å; V9-V111 HydrophobicContact CG1-CG2 4.48Å
10	T	97.9	Very high	93.8	Very high	85 Å²	85	68.7 Å²	68.7	52%	0.521	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	118	172.8	-58.1	0	0	0	0	109.6	Y71 M72	T10-Y71 HydrophobicContact CG2-CD1 4.18Å; T10-M72 WeakPolarHBondContact CA-O 3.49Å
11	L	98.1	Very high	93.8	Very high	11 Å²	11	67.1 Å²	67.1	6%	0.058	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	144.8	172.2	-55.5	-176.1	0	0	0	109.4	V9 W27 Y71 M72 Y85 T109 V111	V9-L11 HydrophobicContact CG2-CD2 4.2Å; L11-W27 HydrophobicContact CB-CH2 3.99Å; L11-W27 HydrophobicContact CB-CZ3 3.85Å; L11-W27 HydrophobicContact CD1-CZ3 4.47Å; L11-Y71 CarbonylContact O-C 3.59Å; L11-Y71 WeakPolarHBondContact O-CA 3.31Å; L11-M72 HydrophobicContact CD1-CE 3.74Å; L11-M72 PolarHBondContact N-O 2.95Å; L11-M72 PolarHBondContact O-N 2.96Å; L11-Y85 VanDerWaalsContact CD1-CB 3.41Å; L11-Y85 HydrophobicContact CD1-CD1 4.36Å; L11-Y85 HydrophobicContact CD1-CD2 4.14Å; L11-Y85 HydrophobicContact CD1-CG 3.72Å; L11-T109 HydrophobicContact CD2-CG2 4.03Å; L11-V111 HydrophobicContact CD1-CG2 4.23Å; L11-V111 HydrophobicContact CD2-CG2 3.92Å
12	S	97.9	Very high	94.4	Very high	83 Å²	83	66.5 Å²	66.5	58%	0.58	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	147.9	176.5	64.6	0	0	0	0	111.2	A70	S12-A70 CarbonylContact C-O 3.53Å; S12-A70 WeakPolarHBondContact CA-O 3.36Å
13	C	97.4	Very high	94.2	Very high	15 Å²	15	63.4 Å²	63.4	10%	0.101	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	108.3	175.8	-179.5	0	0	0	0	109.2	W27 T69 A70 C87	C13-W27 HydrophobicContact CB-CH2 3.83Å; C13-W27 HydrophobicContact CB-CZ2 4Å; C13-T69 WeakPolarHBondContact O-CA 3.38Å; C13-A70 PolarHBondContact N-O 2.92Å; C13-A70 PolarHBondContact O-N 2.96Å; C13-C87 HydrophobicContact CB-CB 3.39Å; C13-C87 WeakPolarHBondContact CB-SG 3.22Å; C13-C87 WeakPolarHBondContact SG-CB 3.49Å; C13-C87 CovalentContact SG-SG 2.03Å; C13-C87 PolarHBondContact SG-SG 2.9Å
14	K	96.8	Very high	94.2	Very high	154 Å²	154	67 Å²	67	67%	0.67	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	121.7	179.7	-174.3	172	-175.9	177	0	110.4	T69	K14-T69 HydrophobicContact CB-CG2 4.47Å
15	A	93.7	Very high	94.2	Very high	12 Å²	12	58 Å²	58	10%	0.099	36%	0.364	C	S	.	.			trans	-74	147.5	174.9	0	0	0	0	0	111.5	Y18 F20 S68	A15-Y18 HydrophobicContact CB-CE1 3.81Å; A15-Y18 HydrophobicContact CB-CE2 4.22Å; A15-Y18 VanDerWaalsContact CB-CZ 3.5Å; A15-Y18 VanDerWaalsContact CB-OH 3.24Å; A15-Y18 WeakPolarHBondContact CB-OH 3.41Å; A15-F20 HydrophobicContact CB-CB 4.14Å; A15-F20 HydrophobicContact CB-CD2 3.38Å; A15-F20 HydrophobicContact CB-CE2 4.07Å; A15-F20 HydrophobicContact CB-CG 4.03Å; A15-S68 WeakPolarHBondContact CB-O 3.25Å; A15-S68 PolarHBondContact N-O 2.91Å
16	S	91.7	Very high	94.3	Very high	101 Å²	101	54.9 Å²	54.9	71%	0.706	34%	0.343	S	S	*	.			trans	-152	146.8	174	62.9	0	0	0	0	110.4	Y18	S16-Y18 VanDerWaalsContact O-CD1 3.29Å; S16-Y18 WeakPolarHBondContact O-CD1 3.41Å
17	G	90.1	Very high	94.4	Very high	90 Å²	90	52.6 Å²	52.6	93%	0.928	32%	0.318	S	S	*	.	S	Bend	trans	81.6	9.6	176.5	0	0	0	0	0	115.8
18	Y	88.6	Confident	94.5	Very high	56 Å²	56	51 Å²	51	22%	0.22	30%	0.304	C	S	.	.	S	Bend	trans	-157.4	166.2	174.5	65.9	-83.4	0	0	0	110.9	A15 S16 F20 Y23 M25 R89	A15-Y18 HydrophobicContact CB-CE1 3.81Å; A15-Y18 HydrophobicContact CB-CE2 4.22Å; A15-Y18 VanDerWaalsContact CB-CZ 3.5Å; A15-Y18 VanDerWaalsContact CB-OH 3.24Å; A15-Y18 WeakPolarHBondContact CB-OH 3.41Å; S16-Y18 VanDerWaalsContact O-CD1 3.29Å; S16-Y18 WeakPolarHBondContact O-CD1 3.41Å; Y18-F20 PolarHBondContact O-N 3.11Å; Y18-Y23 AromaticContact CD2-CD2 3.43Å; Y18-Y23 HydrophobicContact CD2-CD2 3.43Å; Y18-Y23 VanDerWaalsContact CD2-CD2 3.43Å; Y18-Y23 AromaticContact CD2-CE2 3.85Å; Y18-Y23 HydrophobicContact CD2-CE2 3.85Å; Y18-Y23 HydrophobicContact CD2-CG 4.5Å; Y18-Y23 AromaticContact CE2-CD2 3.73Å; Y18-Y23 HydrophobicContact CE2-CD2 3.73Å; Y18-Y23 HydrophobicContact CE2-CG 4.43Å; Y18-Y23 HydrophobicContact CG-CD2 4.39Å; Y18-Y23 HydrophobicContact CG-CE2 4.44Å; Y18-M25 WeakPolarHBondContact OH-CE 3.41Å; Y18-R89 VanDerWaalsContact CZ-CD 3.44Å
19	T	92.6	Very high	94.5	Very high	80 Å²	80	48.7 Å²	48.7	49%	0.491	29%	0.287	S	S	.	.			trans	-71.9	110.5	172.2	-52.5	0	0	0	0	109.3	T21 D22	T19-T21 WeakPolarHBondContact CG2-OG1 3.38Å; T19-T21 PolarHBondContact O-N 3.27Å; T19-T21 VanDerWaalsContact O-N 3.1Å; T19-D22 VanDerWaalsContact CB-OD2 3.25Å; T19-D22 WeakPolarHBondContact CB-OD2 3.37Å; T19-D22 WeakPolarHBondContact CG2-OD1 3.44Å; T19-D22 WeakPolarHBondContact O-CB 3.44Å; T19-D22 PolarHBondContact O-N 2.79Å
20	F	93.4	Very high	94.5	Very high	7 Å²	7	52 Å²	52	3%	0.031	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-56.1	-32.6	-171.7	177.5	-127.1	0	0	0	114.2	A15 Y18 D22 M25 P44 A63 S68 A70	A15-F20 HydrophobicContact CB-CB 4.14Å; A15-F20 HydrophobicContact CB-CD2 3.38Å; A15-F20 HydrophobicContact CB-CE2 4.07Å; A15-F20 HydrophobicContact CB-CG 4.03Å; Y18-F20 PolarHBondContact O-N 3.11Å; F20-D22 VanDerWaalsContact C-N 3.31Å; F20-D22 PolarHBondContact O-N 2.77Å; F20-M25 HydrophobicContact CE2-CE 4Å; F20-P44 HydrophobicContact CD1-CB 3.8Å; F20-P44 HydrophobicContact CD1-CG 4.3Å; F20-P44 HydrophobicContact CD2-CG 4.22Å; F20-P44 HydrophobicContact CE1-CB 3.5Å; F20-P44 HydrophobicContact CE1-CG 3.92Å; F20-P44 HydrophobicContact CE2-CB 4.31Å; F20-P44 HydrophobicContact CE2-CG 3.8Å; F20-P44 HydrophobicContact CG-CB 4.36Å; F20-P44 HydrophobicContact CG-CG 4.47Å; F20-P44 HydrophobicContact CZ-CB 3.77Å; F20-P44 HydrophobicContact CZ-CG 3.63Å; F20-A63 HydrophobicContact CE1-CB 4.13Å; F20-A63 HydrophobicContact CZ-CB 4.18Å; F20-S68 VanDerWaalsContact CD1-CA 3.49Å; F20-A70 HydrophobicContact CE2-CB 4.39Å; F20-A70 HydrophobicContact CZ-CB 4Å
21	T	93.7	Very high	94.3	Very high	37 Å²	37	48.7 Å²	48.7	23%	0.227	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-78.6	-8.8	-178.9	50.8	0	0	0	0	114.4	T19 Y23 E45 K65	T19-T21 WeakPolarHBondContact CG2-OG1 3.38Å; T19-T21 PolarHBondContact O-N 3.27Å; T19-T21 VanDerWaalsContact O-N 3.1Å; T21-Y23 PolarHBondContact O-N 3.15Å; T21-E45 HydrophobicContact CG2-CB 4.46Å; T21-E45 WeakPolarHBondContact CG2-OE2 3.49Å; T21-K65 HydrophobicContact CG2-CD 4.07Å; T21-K65 HydrophobicContact CG2-CG 4.27Å
22	D	90.6	Very high	93.6	Very high	104 Å²	104	54.6 Å²	54.6	56%	0.556	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-80.6	-7.7	-179.1	-67.7	-1.2	0	0	0	112.5	T19 F20	T19-D22 VanDerWaalsContact CB-OD2 3.25Å; T19-D22 WeakPolarHBondContact CB-OD2 3.37Å; T19-D22 WeakPolarHBondContact CG2-OD1 3.44Å; T19-D22 WeakPolarHBondContact O-CB 3.44Å; T19-D22 PolarHBondContact O-N 2.79Å; F20-D22 VanDerWaalsContact C-N 3.31Å; F20-D22 PolarHBondContact O-N 2.77Å
23	Y	88.8	Confident	93	Very high	62 Å²	62	56.3 Å²	56.3	24%	0.243	33%	0.327	C	S	.	.	S	Bend	trans	-141.3	142.5	-171.9	-60.3	-80.1	0	0	0	112.4	Y18 T21 P44 G92	Y18-Y23 AromaticContact CD2-CD2 3.43Å; Y18-Y23 HydrophobicContact CD2-CD2 3.43Å; Y18-Y23 VanDerWaalsContact CD2-CD2 3.43Å; Y18-Y23 AromaticContact CD2-CE2 3.85Å; Y18-Y23 HydrophobicContact CD2-CE2 3.85Å; Y18-Y23 HydrophobicContact CD2-CG 4.5Å; Y18-Y23 AromaticContact CE2-CD2 3.73Å; Y18-Y23 HydrophobicContact CE2-CD2 3.73Å; Y18-Y23 HydrophobicContact CE2-CG 4.43Å; Y18-Y23 HydrophobicContact CG-CD2 4.39Å; Y18-Y23 HydrophobicContact CG-CE2 4.44Å; T21-Y23 PolarHBondContact O-N 3.15Å; Y23-P44 WeakPolarHBondContact O-CD 3.39Å; Y23-P44 WeakPolarHBondContact O-CG 3.35Å; Y23-G92 VanDerWaalsContact CE1-CA 3.43Å
24	E	92.5	Very high	92.2	Very high	87 Å²	87	62.2 Å²	62.2	41%	0.407	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-66.1	142.7	164.9	-63.5	-168.3	171.9	0	0	111.1	H26 I42 D43	E24-H26 IonicContact OE2-CE1 3.67Å; E24-H26 IonicContact OE2-NE2 2.69Å; E24-I42 WeakPolarHBondContact CA-O 3.3Å; E24-D43 HydrophobicContact CG-CB 4.15Å
25	M	95.3	Very high	92	Very high	5 Å²	5	56.3 Å²	56.3	3%	0.025	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.3	170.4	-174.6	63.3	65.5	0	0	109.5	Y18 F20 A41 I42 A70 C87 T88	Y18-M25 WeakPolarHBondContact OH-CE 3.41Å; F20-M25 HydrophobicContact CE2-CE 4Å; M25-A41 CarbonylContact O-C 3.5Å; M25-A41 VanDerWaalsContact O-CA 3.29Å; M25-A41 WeakPolarHBondContact O-CA 3.3Å; M25-I42 HydrophobicContact CB-CG2 4.1Å; M25-I42 PolarHBondContact N-O 2.85Å; M25-I42 PolarHBondContact O-N 3.07Å; M25-A70 HydrophobicContact CB-CB 3.97Å; M25-A70 HydrophobicContact CG-CB 3.57Å; M25-C87 HydrophobicContact CG-CB 4.43Å; M25-C87 HydrophobicContact SD-CB 3.74Å; M25-T88 VanDerWaalsContact SD-O 3.41Å
26	H	96.4	Very high	92	Very high	8 Å²	8	60.3 Å²	60.3	4%	0.037	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	149.7	179.5	-53.8	-105.9	0	0	0	110.7	E24 W38 G40 A41 C87 T88 E90 F102	E24-H26 IonicContact OE2-CE1 3.67Å; E24-H26 IonicContact OE2-NE2 2.69Å; H26-W38 AromaticContact CG-NE1 3.99Å; H26-W38 AromaticContact ND1-NE1 3.46Å; H26-W38 PolarHBondContact ND1-NE1 2.85Å; H26-G40 WeakPolarHBondContact CA-O 3.42Å; H26-A41 VanDerWaalsContact ND1-CB 3.35Å; H26-A41 WeakPolarHBondContact ND1-CB 3.34Å; H26-C87 CarbonylContact O-C 3.55Å; H26-C87 VanDerWaalsContact O-CA 3.25Å; H26-C87 WeakPolarHBondContact O-CA 3.44Å; H26-T88 HydrophobicContact CB-CG2 3.79Å; H26-T88 PolarHBondContact N-O 2.81Å; H26-T88 PolarHBondContact O-N 3.45Å; H26-E90 IonicContact CE1-OE1 2.86Å; H26-E90 IonicContact NE2-OE1 3.38Å; H26-F102 HydrophobicContact CB-CD1 4.25Å; H26-F102 HydrophobicContact CB-CE1 3.67Å; H26-F102 HydrophobicContact CB-CZ 4.25Å; H26-F102 AromaticContact CD2-CE1 3.65Å; H26-F102 AromaticContact CE1-CE1 3.82Å; H26-F102 AromaticContact CG-CE1 3.3Å; H26-F102 AromaticContact ND1-CE1 3.4Å; H26-F102 WeakPolarHBondContact ND1-CE1 3.21Å; H26-F102 AromaticContact ND1-CZ 3.93Å; H26-F102 AromaticContact NE2-CE1 3.95Å
27	W	97.8	Very high	92.2	Very high	5 Å²	5	57 Å²	57	2%	0.019	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135.5	176.1	-68.8	89.3	0	0	0	110.3	L11 C13 I39 G40 L61 A70 M72 Y86 C87	L11-W27 HydrophobicContact CB-CH2 3.99Å; L11-W27 HydrophobicContact CB-CZ3 3.85Å; L11-W27 HydrophobicContact CD1-CZ3 4.47Å; C13-W27 HydrophobicContact CB-CH2 3.83Å; C13-W27 HydrophobicContact CB-CZ2 4Å; W27-I39 HydrophobicContact CB-CB 4.15Å; W27-I39 HydrophobicContact CB-CD1 4.28Å; W27-I39 WeakPolarHBondContact O-CB 3.4Å; W27-I39 PolarHBondContact O-N 2.82Å; W27-G40 PolarHBondContact N-O 3.5Å; W27-L61 HydrophobicContact CG-CD2 4.13Å; W27-A70 HydrophobicContact CZ2-CB 4.27Å; W27-M72 HydrophobicContact CB-SD 3.84Å; W27-M72 HydrophobicContact CD2-CB 3.7Å; W27-M72 HydrophobicContact CD2-CE 4.19Å; W27-M72 HydrophobicContact CD2-CG 4.49Å; W27-M72 HydrophobicContact CD2-SD 4.08Å; W27-M72 HydrophobicContact CE3-CB 4Å; W27-M72 HydrophobicContact CE3-CE 3.69Å; W27-M72 HydrophobicContact CE3-SD 4.2Å; W27-M72 HydrophobicContact CG-CB 4.19Å; W27-M72 HydrophobicContact CG-SD 3.96Å; W27-M72 HydrophobicContact CH2-CB 4.16Å; W27-M72 HydrophobicContact CZ2-CB 3.9Å; W27-M72 HydrophobicContact CZ3-CB 4.22Å; W27-M72 HydrophobicContact CZ3-CE 4.24Å; W27-Y86 WeakPolarHBondContact CA-O 3.42Å; W27-C87 HydrophobicContact CD2-CB 4.45Å; W27-C87 HydrophobicContact CE3-CB 4.24Å; W27-C87 HydrophobicContact CH2-CB 4.35Å; W27-C87 HydrophobicContact CZ3-CB 4.2Å
28	V	97.3	Very high	92.4	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	132.9	-175.9	-177.4	0	0	0	0	109.5	L36 E37 Y85 Y86 T88 W105	V28-L36 HydrophobicContact CG1-CB 3.92Å; V28-L36 HydrophobicContact CG1-CD2 3.82Å; V28-L36 HydrophobicContact CG1-CG 4.42Å; V28-E37 WeakPolarHBondContact CA-O 3.01Å; V28-E37 WeakPolarHBondContact CG1-O 3.37Å; V28-Y85 WeakPolarHBondContact O-CA 3.37Å; V28-Y86 PolarHBondContact N-O 3.3Å; V28-Y86 PolarHBondContact O-N 3.1Å; V28-T88 HydrophobicContact CG2-CG2 4Å; V28-W105 HydrophobicContact CB-CH2 4.06Å; V28-W105 HydrophobicContact CB-CZ3 3.88Å; V28-W105 HydrophobicContact CG1-CH2 3.97Å; V28-W105 HydrophobicContact CG1-CZ3 4.02Å; V28-W105 HydrophobicContact CG2-CH2 3.83Å; V28-W105 HydrophobicContact CG2-CZ3 4.03Å
29	K	96.7	Very high	92.8	Very high	13 Å²	13	53.7 Å²	53.7	6%	0.057	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.1	171.9	-177	-179.9	179.9	-176.8	0	108.8	T31 L36 E37 I39 F55 E80 D81 A83 Y85	K29-T31 HydrophobicContact CD-CG2 4.25Å; K29-T31 HydrophobicContact CG-CG2 4.23Å; K29-L36 CarbonylContact O-C 3.57Å; K29-L36 WeakPolarHBondContact O-CA 3.44Å; K29-E37 HydrophobicContact CB-CB 4.46Å; K29-E37 PolarHBondContact N-O 2.91Å; K29-E37 PolarHBondContact O-N 2.81Å; K29-I39 HydrophobicContact CB-CD1 3.98Å; K29-I39 HydrophobicContact CB-CG1 4.1Å; K29-F55 HydrophobicContact CB-CZ 4.35Å; K29-F55 HydrophobicContact CD-CE1 3.9Å; K29-F55 HydrophobicContact CD-CZ 3.9Å; K29-E80 PolarHBondContact NZ-O 2.95Å; K29-D81 IonicContact NZ-OD1 2.79Å; K29-A83 HydrophobicContact CD-CB 4.15Å; K29-A83 HydrophobicContact CG-CB 3.48Å; K29-A83 VanDerWaalsContact CG-CB 3.48Å; K29-Y85 HydrophobicContact CB-CD1 4.15Å; K29-Y85 HydrophobicContact CB-CE1 3.87Å; K29-Y85 HydrophobicContact CD-CE1 4.04Å; K29-Y85 HydrophobicContact CG-CD1 4.3Å; K29-Y85 HydrophobicContact CG-CE1 3.71Å
30	Q	96.8	Very high	93	Very high	73 Å²	73	49.9 Å²	49.9	34%	0.341	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.8	170.3	-166.5	-177.1	26.3	0	0	110.4	G35 L36 A83 V84 Y86	Q30-G35 VanDerWaalsContact CA-O 3.31Å; Q30-G35 WeakPolarHBondContact CA-O 3.49Å; Q30-L36 HydrophobicContact CB-CD2 3.75Å; Q30-L36 HydrophobicContact CG-CD2 3.76Å; Q30-L36 HydrophobicContact CG-CG 4.49Å; Q30-A83 WeakPolarHBondContact O-CA 3.39Å; Q30-A83 VanDerWaalsContact O-CB 3.23Å; Q30-A83 WeakPolarHBondContact O-CB 3.17Å; Q30-V84 HydrophobicContact CB-CB 4.48Å; Q30-V84 PolarHBondContact N-O 2.65Å; Q30-V84 PolarHBondContact O-N 2.99Å; Q30-V84 VanDerWaalsContact O-N 3.1Å; Q30-Y86 HydrophobicContact CB-CD2 4.22Å; Q30-Y86 HydrophobicContact CB-CE2 3.71Å; Q30-Y86 PolarHBondContact OE1-OH 3Å
31	T	93.5	Very high	93.2	Very high	16 Å²	16	49.6 Å²	49.6	10%	0.098	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	149.2	170.7	69.6	0	0	0	0	110.4	K29 V33 H34 G35 A83	K29-T31 HydrophobicContact CD-CG2 4.25Å; K29-T31 HydrophobicContact CG-CG2 4.23Å; T31-V33 PolarHBondContact O-N 3.45Å; T31-V33 VanDerWaalsContact O-N 3.16Å; T31-H34 WeakPolarHBondContact OG1-CB 2.96Å; T31-H34 PolarHBondContact OG1-N 2.88Å; T31-G35 PolarHBondContact N-O 2.75Å; T31-G35 PolarHBondContact O-N 2.75Å; T31-G35 VanDerWaalsContact O-N 3.11Å; T31-A83 HydrophobicContact CG2-CB 4.2Å
32	P	84.7	Confident	93.3	Very high	135 Å²	135	48.1 Å²	48.1	88%	0.877	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.6	174.5	-24.9	34.3	0	0	0	114
33	V	84.8	Confident	93.6	Very high	120 Å²	120	44.8 Å²	44.8	73%	0.727	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-45.2	-172.6	-177.1	0	0	0	0	112.3	T31	T31-V33 PolarHBondContact O-N 3.45Å; T31-V33 VanDerWaalsContact O-N 3.16Å
34	H	81.5	Confident	93.9	Very high	139 Å²	139	42 Å²	42	64%	0.644	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.6	0.2	-171.8	-57.2	97.8	0	0	0	113.6	T31	T31-H34 WeakPolarHBondContact OG1-CB 2.96Å; T31-H34 PolarHBondContact OG1-N 2.88Å
35	G	91.2	Very high	94.1	Very high	29 Å²	29	42.7 Å²	42.7	30%	0.299	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	70.6	-141.6	-178.7	0	0	0	0	0	112.1	Q30 T31	Q30-G35 VanDerWaalsContact CA-O 3.31Å; Q30-G35 WeakPolarHBondContact CA-O 3.49Å; T31-G35 PolarHBondContact N-O 2.75Å; T31-G35 PolarHBondContact O-N 2.75Å; T31-G35 VanDerWaalsContact O-N 3.11Å
36	L	94.1	Very high	94.1	Very high	97 Å²	97	47.3 Å²	47.3	51%	0.508	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	124.3	-177.4	-64.1	171.6	0	0	0	111.1	V28 K29 Q30 W105	V28-L36 HydrophobicContact CG1-CB 3.92Å; V28-L36 HydrophobicContact CG1-CD2 3.82Å; V28-L36 HydrophobicContact CG1-CG 4.42Å; K29-L36 CarbonylContact O-C 3.57Å; K29-L36 WeakPolarHBondContact O-CA 3.44Å; Q30-L36 HydrophobicContact CB-CD2 3.75Å; Q30-L36 HydrophobicContact CG-CD2 3.76Å; Q30-L36 HydrophobicContact CG-CG 4.49Å; L36-W105 HydrophobicContact CD1-CH2 3.98Å; L36-W105 HydrophobicContact CD2-CH2 4.31Å; L36-W105 HydrophobicContact CD2-CZ3 4.21Å
37	E	95.3	Very high	94.1	Very high	32 Å²	32	49.1 Å²	49.1	15%	0.15	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.8	175	-66.7	-173.2	94.1	0	0	109.7	V28 K29 I39 K54 F55	V28-E37 WeakPolarHBondContact CA-O 3.01Å; V28-E37 WeakPolarHBondContact CG1-O 3.37Å; K29-E37 HydrophobicContact CB-CB 4.46Å; K29-E37 PolarHBondContact N-O 2.91Å; K29-E37 PolarHBondContact O-N 2.81Å; E37-I39 PolarHBondContact O-N 3.17Å; E37-K54 IonicContact OE1-NZ 2.79Å; E37-K54 PolarHBondContact OE1-NZ 2.83Å; E37-F55 HydrophobicContact CB-CE2 4.4Å; E37-F55 HydrophobicContact CB-CZ 4.44Å
38	W	95.4	Very high	94	Very high	76 Å²	76	50.6 Å²	50.6	29%	0.288	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	128.7	174.8	-178.7	76	0	0	0	110.8	H26 G40 A41 A50 N52 F102	H26-W38 AromaticContact CG-NE1 3.99Å; H26-W38 AromaticContact ND1-NE1 3.46Å; H26-W38 PolarHBondContact ND1-NE1 2.85Å; W38-G40 VanDerWaalsContact CE2-C 3.48Å; W38-G40 PolarHBondContact NE1-O 2.64Å; W38-A41 HydrophobicContact CZ2-CB 3.91Å; W38-A50 HydrophobicContact CH2-CB 3.96Å; W38-A50 HydrophobicContact CZ2-CB 4.39Å; W38-N52 HydrophobicContact CE3-CB 3.84Å; W38-N52 HydrophobicContact CZ3-CB 4.07Å; W38-N52 WeakPolarHBondContact O-CB 3.17Å; W38-N52 PolarHBondContact O-ND2 3.11Å; W38-F102 AromaticContact CD1-CZ 3.74Å
39	I	97.3	Very high	94	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-50.4	-178	-60.3	175.5	0	0	0	110	W27 K29 E37 N52 F55 A59 M72 Y85	W27-I39 HydrophobicContact CB-CB 4.15Å; W27-I39 HydrophobicContact CB-CD1 4.28Å; W27-I39 WeakPolarHBondContact O-CB 3.4Å; W27-I39 PolarHBondContact O-N 2.82Å; K29-I39 HydrophobicContact CB-CD1 3.98Å; K29-I39 HydrophobicContact CB-CG1 4.1Å; E37-I39 PolarHBondContact O-N 3.17Å; I39-N52 PolarHBondContact O-N 3.27Å; I39-F55 HydrophobicContact CB-CD2 4.26Å; I39-F55 HydrophobicContact CB-CG 4.22Å; I39-F55 HydrophobicContact CG1-CD1 4.18Å; I39-F55 HydrophobicContact CG1-CD2 4.22Å; I39-F55 HydrophobicContact CG1-CE1 4.11Å; I39-F55 HydrophobicContact CG1-CE2 4.14Å; I39-F55 HydrophobicContact CG1-CG 4.23Å; I39-F55 HydrophobicContact CG1-CZ 4.09Å; I39-F55 HydrophobicContact CG2-CB 3.73Å; I39-F55 HydrophobicContact CG2-CD1 4.1Å; I39-F55 HydrophobicContact CG2-CD2 4.3Å; I39-F55 HydrophobicContact CG2-CG 3.79Å; I39-A59 HydrophobicContact CG2-CB 3.74Å; I39-M72 HydrophobicContact CD1-CE 3.85Å; I39-M72 HydrophobicContact CD1-SD 3.61Å; I39-M72 HydrophobicContact CG2-SD 3.89Å; I39-Y85 HydrophobicContact CD1-CD1 3.73Å; I39-Y85 HydrophobicContact CD1-CE1 3.83Å
40	G	96.8	Very high	94	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172	177.7	-172.6	0	0	0	0	0	112.3	H26 W27 W38 A50	H26-G40 WeakPolarHBondContact CA-O 3.42Å; W27-G40 PolarHBondContact N-O 3.5Å; W38-G40 VanDerWaalsContact CE2-C 3.48Å; W38-G40 PolarHBondContact NE1-O 2.64Å; G40-A50 CarbonylContact C-O 3.51Å; G40-A50 WeakPolarHBondContact CA-O 2.99Å
41	A	96.5	Very high	94	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.008	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152.2	175.9	0	0	0	0	0	110.5	M25 H26 W38 T49 A50	M25-A41 CarbonylContact O-C 3.5Å; M25-A41 VanDerWaalsContact O-CA 3.29Å; M25-A41 WeakPolarHBondContact O-CA 3.3Å; H26-A41 VanDerWaalsContact ND1-CB 3.35Å; H26-A41 WeakPolarHBondContact ND1-CB 3.34Å; W38-A41 HydrophobicContact CZ2-CB 3.91Å; A41-T49 VanDerWaalsContact O-CA 3.3Å; A41-T49 WeakPolarHBondContact O-CA 3.43Å; A41-A50 PolarHBondContact N-O 3.12Å; A41-A50 PolarHBondContact O-N 2.96Å
42	I	96.9	Very high	94.1	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.026	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.8	168.1	-177.6	163.5	0	0	0	109.4	E24 M25 P44 G48 T49 L61 T62 A63 A70	E24-I42 WeakPolarHBondContact CA-O 3.3Å; M25-I42 HydrophobicContact CB-CG2 4.1Å; M25-I42 PolarHBondContact N-O 2.85Å; M25-I42 PolarHBondContact O-N 3.07Å; I42-P44 VanDerWaalsContact O-CD 3.26Å; I42-P44 WeakPolarHBondContact O-CD 3.38Å; I42-G48 WeakPolarHBondContact CA-O 3.22Å; I42-T49 HydrophobicContact CB-CG2 4.11Å; I42-T49 HydrophobicContact CD1-CG2 4.07Å; I42-T49 HydrophobicContact CG1-CG2 3.98Å; I42-L61 HydrophobicContact CB-CB 4.09Å; I42-L61 HydrophobicContact CD1-CB 4.49Å; I42-L61 HydrophobicContact CG2-CB 4.39Å; I42-T62 VanDerWaalsContact CD1-C 3.41Å; I42-T62 VanDerWaalsContact CD1-CA 3.45Å; I42-A63 HydrophobicContact CD1-CB 3.83Å; I42-A63 HydrophobicContact CG1-CB 4.36Å; I42-A70 HydrophobicContact CG2-CB 4.49Å
43	D	95.9	Very high	94.6	Very high	35 Å²	35	56.2 Å²	56.2	19%	0.187	32%	0.321	C	S	.	.			trans	-80.2	110.7	165.1	176.3	-7.7	0	0	0	108.1	E24 E45 T46 G47 G48	E24-D43 HydrophobicContact CG-CB 4.15Å; D43-E45 PolarHBondContact O-N 2.86Å; D43-E45 WeakPolarHBondContact OD1-CA 3.1Å; D43-E45 WeakPolarHBondContact OD1-CB 3.32Å; D43-E45 PolarHBondContact OD1-N 3.39Å; D43-T46 WeakPolarHBondContact CB-OG1 3.38Å; D43-T46 PolarHBondContact OD1-N 3.45Å; D43-T46 WeakPolarHBondContact OD2-CB 3.25Å; D43-T46 WeakPolarHBondContact OD2-CG2 3.4Å; D43-T46 PolarHBondContact OD2-OG1 2.94Å; D43-G47 WeakPolarHBondContact O-CA 3.49Å; D43-G47 PolarHBondContact O-N 2.98Å; D43-G48 PolarHBondContact N-O 3.27Å
44	P	95.8	Very high	94.9	Very high	4 Å²	4	57.5 Å²	57.5	3%	0.026	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.1	-179.9	-19.4	34.6	0	0	0	113.2	F20 Y23 I42 A63 K65	F20-P44 HydrophobicContact CD1-CB 3.8Å; F20-P44 HydrophobicContact CD1-CG 4.3Å; F20-P44 HydrophobicContact CD2-CG 4.22Å; F20-P44 HydrophobicContact CE1-CB 3.5Å; F20-P44 HydrophobicContact CE1-CG 3.92Å; F20-P44 HydrophobicContact CE2-CB 4.31Å; F20-P44 HydrophobicContact CE2-CG 3.8Å; F20-P44 HydrophobicContact CG-CB 4.36Å; F20-P44 HydrophobicContact CG-CG 4.47Å; F20-P44 HydrophobicContact CZ-CB 3.77Å; F20-P44 HydrophobicContact CZ-CG 3.63Å; Y23-P44 WeakPolarHBondContact O-CD 3.39Å; Y23-P44 WeakPolarHBondContact O-CG 3.35Å; I42-P44 VanDerWaalsContact O-CD 3.26Å; I42-P44 WeakPolarHBondContact O-CD 3.38Å; P44-A63 HydrophobicContact CB-CB 4.07Å; P44-K65 WeakPolarHBondContact O-CE 3.4Å
45	E	95.1	Very high	95.6	Very high	100 Å²	100	51.3 Å²	51.3	47%	0.467	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-50.5	179.3	-178.7	54.8	-167.4	0	0	111.7	T21 D43 K65	T21-E45 HydrophobicContact CG2-CB 4.46Å; T21-E45 WeakPolarHBondContact CG2-OE2 3.49Å; D43-E45 PolarHBondContact O-N 2.86Å; D43-E45 WeakPolarHBondContact OD1-CA 3.1Å; D43-E45 WeakPolarHBondContact OD1-CB 3.32Å; D43-E45 PolarHBondContact OD1-N 3.39Å; E45-K65 WeakPolarHBondContact O-CE 2.98Å; E45-K65 PolarHBondContact O-NZ 2.69Å; E45-K65 IonicContact OE1-NZ 3.54Å; E45-K65 IonicContact OE2-NZ 3.8Å; E45-K65 PolarHBondContact OE2-NZ 2.83Å
46	T	96.1	Very high	95.7	Very high	103 Å²	103	56.5 Å²	56.5	63%	0.632	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-19.8	-177.2	65.9	0	0	0	0	113.7	D43 G48	D43-T46 WeakPolarHBondContact CB-OG1 3.38Å; D43-T46 PolarHBondContact OD1-N 3.45Å; D43-T46 WeakPolarHBondContact OD2-CB 3.25Å; D43-T46 WeakPolarHBondContact OD2-CG2 3.4Å; D43-T46 PolarHBondContact OD2-OG1 2.94Å; T46-G48 PolarHBondContact O-N 2.94Å; T46-G48 PolarHBondContact OG1-N 2.78Å; T46-G48 VanDerWaalsContact OG1-N 3.13Å
47	G	95.9	Very high	95.6	Very high	46 Å²	46	55.3 Å²	55.3	47%	0.474	31%	0.313	S	S	.	.			trans	73.5	7.1	-167.6	0	0	0	0	0	113.3	D43	D43-G47 WeakPolarHBondContact O-CA 3.49Å; D43-G47 PolarHBondContact O-N 2.98Å
48	G	96.9	Very high	95.6	Very high	36 Å²	36	55.8 Å²	55.8	37%	0.371	31%	0.314	S	S	.	.			trans	-60.3	139.8	174.7	0	0	0	0	0	111	I42 D43 T46	I42-G48 WeakPolarHBondContact CA-O 3.22Å; D43-G48 PolarHBondContact N-O 3.27Å; T46-G48 PolarHBondContact O-N 2.94Å; T46-G48 PolarHBondContact OG1-N 2.78Å; T46-G48 VanDerWaalsContact OG1-N 3.13Å
49	T	97.1	Very high	95.7	Very high	69 Å²	69	52.3 Å²	52.3	42%	0.423	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138.9	179.6	52.8	0	0	0	0	111.8	A41 I42 Y51 L61	A41-T49 VanDerWaalsContact O-CA 3.3Å; A41-T49 WeakPolarHBondContact O-CA 3.43Å; I42-T49 HydrophobicContact CB-CG2 4.11Å; I42-T49 HydrophobicContact CD1-CG2 4.07Å; I42-T49 HydrophobicContact CG1-CG2 3.98Å; T49-Y51 HydrophobicContact CG2-CE2 4.47Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.19Å; T49-L61 HydrophobicContact CG2-CB 4.14Å
50	A	96.1	Very high	95.8	Very high	46 Å²	46	54.9 Å²	54.9	38%	0.38	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	143.3	171.2	0	0	0	0	0	109.1	W38 G40 A41	W38-A50 HydrophobicContact CH2-CB 3.96Å; W38-A50 HydrophobicContact CZ2-CB 4.39Å; G40-A50 CarbonylContact C-O 3.51Å; G40-A50 WeakPolarHBondContact CA-O 2.99Å; A41-A50 PolarHBondContact N-O 3.12Å; A41-A50 PolarHBondContact O-N 2.96Å
51	Y	96.5	Very high	95.9	Very high	56 Å²	56	55.3 Å²	55.3	22%	0.22	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.6	-177.6	-68.7	-87.6	0	0	0	111.3	T49 A59 L61	T49-Y51 HydrophobicContact CG2-CE2 4.47Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.19Å; Y51-A59 HydrophobicContact CE1-CB 4.32Å; Y51-A59 WeakPolarHBondContact CE1-O 3.43Å; Y51-L61 HydrophobicContact CE1-CD1 4Å; Y51-L61 HydrophobicContact CE1-CG 3.74Å; Y51-L61 PolarHBondContact OH-N 2.85Å
52	N	95.6	Very high	95.9	Very high	45 Å²	45	58.7 Å²	58.7	24%	0.241	34%	0.338	C	S	.	.			trans	-70.3	136	156.8	-179.1	-23.5	0	0	0	109.1	W38 I39 K54 F55 K56	W38-N52 HydrophobicContact CE3-CB 3.84Å; W38-N52 HydrophobicContact CZ3-CB 4.07Å; W38-N52 WeakPolarHBondContact O-CB 3.17Å; W38-N52 PolarHBondContact O-ND2 3.11Å; I39-N52 PolarHBondContact O-N 3.27Å; N52-K54 PolarHBondContact O-N 3.04Å; N52-K54 VanDerWaalsContact O-N 3.11Å; N52-K54 PolarHBondContact OD1-N 3.39Å; N52-K54 VanDerWaalsContact OD1-N 3.12Å; N52-F55 HydrophobicContact CB-CD2 4.05Å; N52-F55 PolarHBondContact O-N 2.84Å; N52-K56 PolarHBondContact O-N 2.71Å
53	Q	95	Very high	96	Very high	142 Å²	142	60.1 Å²	60.1	66%	0.664	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-55.5	-32.6	-177.1	-63.5	-58.3	-32.7	0	0	113	F55 K56	Q53-F55 PolarHBondContact O-N 3.22Å; Q53-K56 PolarHBondContact O-N 3.2Å
54	K	92.6	Very high	96.1	Very high	146 Å²	146	61.1 Å²	61.1	64%	0.635	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-60.5	-31.3	177.1	-66.9	-171.6	-174.7	-178.5	0	113.5	E37 N52	E37-K54 IonicContact OE1-NZ 2.79Å; E37-K54 PolarHBondContact OE1-NZ 2.83Å; N52-K54 PolarHBondContact O-N 3.04Å; N52-K54 VanDerWaalsContact O-N 3.11Å; N52-K54 PolarHBondContact OD1-N 3.39Å; N52-K54 VanDerWaalsContact OD1-N 3.12Å
55	F	95.1	Very high	96.1	Very high	10 Å²	10	65.7 Å²	65.7	4%	0.044	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-105.4	-4.3	-174.2	-62.1	-83.2	0	0	0	112.9	K29 E37 I39 N52 Q53 G57 K58 A59	K29-F55 HydrophobicContact CB-CZ 4.35Å; K29-F55 HydrophobicContact CD-CE1 3.9Å; K29-F55 HydrophobicContact CD-CZ 3.9Å; E37-F55 HydrophobicContact CB-CE2 4.4Å; E37-F55 HydrophobicContact CB-CZ 4.44Å; I39-F55 HydrophobicContact CB-CD2 4.26Å; I39-F55 HydrophobicContact CB-CG 4.22Å; I39-F55 HydrophobicContact CG1-CD1 4.18Å; I39-F55 HydrophobicContact CG1-CD2 4.22Å; I39-F55 HydrophobicContact CG1-CE1 4.11Å; I39-F55 HydrophobicContact CG1-CE2 4.14Å; I39-F55 HydrophobicContact CG1-CG 4.23Å; I39-F55 HydrophobicContact CG1-CZ 4.09Å; I39-F55 HydrophobicContact CG2-CB 3.73Å; I39-F55 HydrophobicContact CG2-CD1 4.1Å; I39-F55 HydrophobicContact CG2-CD2 4.3Å; I39-F55 HydrophobicContact CG2-CG 3.79Å; N52-F55 HydrophobicContact CB-CD2 4.05Å; N52-F55 PolarHBondContact O-N 2.84Å; Q53-F55 PolarHBondContact O-N 3.22Å; F55-G57 PolarHBondContact O-N 3.17Å; F55-K58 WeakPolarHBondContact O-CB 3.18Å; F55-K58 PolarHBondContact O-N 2.86Å; F55-A59 HydrophobicContact CB-CB 4.39Å; F55-A59 PolarHBondContact O-N 3.05Å
56	K	93.3	Very high	96.1	Very high	138 Å²	138	66.2 Å²	66.2	60%	0.6	39%	0.39	S	S	*	.	B	Isolated β-bridge	trans	-62.4	122	176.8	-166.4	174.3	-176.4	178.4	0	109.6	N52 Q53 K58	N52-K56 PolarHBondContact O-N 2.71Å; Q53-K56 PolarHBondContact O-N 3.2Å; K56-K58 VanDerWaalsContact C-N 3.25Å; K56-K58 PolarHBondContact O-N 2.86Å
57	G	92.4	Very high	96.1	Very high	71 Å²	71	63 Å²	63	73%	0.732	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	-13.3	-175.1	0	0	0	0	0	114.8	F55	F55-G57 PolarHBondContact O-N 3.17Å
58	K	95.9	Very high	96.2	Very high	43 Å²	43	62.8 Å²	62.8	19%	0.187	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-44	172.5	-172.3	78.3	176.7	-163.9	0	111.6	F55 K56 R75 S76 D81	F55-K58 WeakPolarHBondContact O-CB 3.18Å; F55-K58 PolarHBondContact O-N 2.86Å; K56-K58 VanDerWaalsContact C-N 3.25Å; K56-K58 PolarHBondContact O-N 2.86Å; K58-R75 WeakPolarHBondContact CD-O 3.45Å; K58-R75 WeakPolarHBondContact CE-O 3Å; K58-R75 PolarHBondContact NZ-O 2.91Å; K58-R75 PolarHBondContact O-N 2.64Å; K58-S76 PolarHBondContact NZ-O 3.03Å; K58-D81 WeakPolarHBondContact CE-OD2 3.37Å; K58-D81 IonicContact NZ-OD2 3.35Å; K58-D81 PolarHBondContact NZ-OD2 3.35Å
59	A	97.8	Very high	96.2	Very high	3 Å²	3	61.5 Å²	61.5	3%	0.025	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	142.5	179.3	0	0	0	0	0	111	I39 Y51 F55 M72 E73 L74	I39-A59 HydrophobicContact CG2-CB 3.74Å; Y51-A59 HydrophobicContact CE1-CB 4.32Å; Y51-A59 WeakPolarHBondContact CE1-O 3.43Å; F55-A59 HydrophobicContact CB-CB 4.39Å; F55-A59 PolarHBondContact O-N 3.05Å; A59-M72 HydrophobicContact CB-CG 4.31Å; A59-M72 HydrophobicContact CB-SD 4.31Å; A59-E73 CarbonylContact C-O 3.41Å; A59-E73 VanDerWaalsContact CA-O 3.31Å; A59-E73 WeakPolarHBondContact CA-O 3.3Å; A59-L74 HydrophobicContact CB-CD2 3.95Å
60	I	98.2	Very high	96.3	Very high	53 Å²	53	58.2 Å²	58.2	27%	0.272	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	121.4	168.9	-60.4	177.3	0	0	0	107.9	T62 M72 E73 R75	I60-T62 HydrophobicContact CG2-CG2 4.26Å; I60-M72 CarbonylContact O-C 3.52Å; I60-M72 WeakPolarHBondContact O-CA 3.12Å; I60-E73 HydrophobicContact CB-CB 4.31Å; I60-E73 PolarHBondContact N-O 2.03Å; I60-E73 PolarHBondContact O-N 3.23Å; I60-R75 VanDerWaalsContact CD1-NH2 3.27Å
61	L	98.4	Very high	96.4	Very high	9 Å²	9	59.2 Å²	59.2	5%	0.047	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.6	179.8	-50.6	-176.5	0	0	0	109.9	W27 I42 T49 Y51 Y71 M72	W27-L61 HydrophobicContact CG-CD2 4.13Å; I42-L61 HydrophobicContact CB-CB 4.09Å; I42-L61 HydrophobicContact CD1-CB 4.49Å; I42-L61 HydrophobicContact CG2-CB 4.39Å; T49-L61 HydrophobicContact CG2-CB 4.14Å; Y51-L61 HydrophobicContact CE1-CD1 4Å; Y51-L61 HydrophobicContact CE1-CG 3.74Å; Y51-L61 PolarHBondContact OH-N 2.85Å; L61-Y71 WeakPolarHBondContact CA-O 3.36Å; L61-M72 HydrophobicContact CD2-CB 3.73Å; L61-M72 HydrophobicContact CD2-CG 3.58Å; L61-M72 HydrophobicContact CD2-SD 4.03Å
62	T	98.3	Very high	96.5	Very high	72 Å²	72	56.6 Å²	56.6	44%	0.442	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	162	174.2	63.5	0	0	0	0	110.5	I42 I60 A70 Y71	I42-T62 VanDerWaalsContact CD1-C 3.41Å; I42-T62 VanDerWaalsContact CD1-CA 3.45Å; I60-T62 HydrophobicContact CG2-CG2 4.26Å; T62-A70 CarbonylContact O-C 3.58Å; T62-A70 WeakPolarHBondContact O-CA 3.31Å; T62-Y71 PolarHBondContact N-O 3.42Å; T62-Y71 PolarHBondContact O-N 2.95Å
63	A	98	Very high	96.6	Very high	36 Å²	36	56.7 Å²	56.7	30%	0.298	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	140.5	178.6	0	0	0	0	0	109.9	F20 I42 P44	F20-A63 HydrophobicContact CE1-CB 4.13Å; F20-A63 HydrophobicContact CZ-CB 4.18Å; I42-A63 HydrophobicContact CD1-CB 3.83Å; I42-A63 HydrophobicContact CG1-CB 4.36Å; P44-A63 HydrophobicContact CB-CB 4.07Å
64	D	97.6	Very high	96.7	Very high	55 Å²	55	49.9 Å²	49.9	29%	0.294	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	109.2	171.7	173.8	11.4	0	0	0	109	S66 S67 S68 T69 Y71	D64-S66 VanDerWaalsContact C-N 3.28Å; D64-S66 PolarHBondContact O-N 2.87Å; D64-S66 WeakPolarHBondContact OD1-CB 2.97Å; D64-S66 PolarHBondContact OD1-N 3.46Å; D64-S66 PolarHBondContact OD1-OG 3.19Å; D64-S66 PolarHBondContact OD2-OG 2.86Å; D64-S67 WeakPolarHBondContact CB-OG 3.22Å; D64-S67 VanDerWaalsContact OD2-CB 3.3Å; D64-S67 WeakPolarHBondContact OD2-CB 3.48Å; D64-S67 PolarHBondContact OD2-OG 3.27Å; D64-S68 WeakPolarHBondContact O-CA 3.45Å; D64-S68 PolarHBondContact O-N 3.15Å; D64-T69 PolarHBondContact N-O 2.91Å; D64-T69 PolarHBondContact O-N 3.49Å; D64-Y71 HydrophobicContact CB-CE2 4.04Å
65	K	95.7	Very high	97	Very high	101 Å²	101	47.9 Å²	47.9	44%	0.439	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-37.6	179.5	-55.4	-168.4	-170.2	-156.3	0	111.6	T21 P44 E45 S67 S68	T21-K65 HydrophobicContact CG2-CD 4.07Å; T21-K65 HydrophobicContact CG2-CG 4.27Å; P44-K65 WeakPolarHBondContact O-CE 3.4Å; E45-K65 WeakPolarHBondContact O-CE 2.98Å; E45-K65 PolarHBondContact O-NZ 2.69Å; E45-K65 IonicContact OE1-NZ 3.54Å; E45-K65 IonicContact OE2-NZ 3.8Å; E45-K65 PolarHBondContact OE2-NZ 2.83Å; K65-S67 PolarHBondContact O-N 3.29Å; K65-S68 PolarHBondContact O-N 3.39Å
66	S	95.3	Very high	97	Very high	110 Å²	110	51.2 Å²	51.2	77%	0.769	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-38.7	-173.5	73.4	0	0	0	0	112.2	D64	D64-S66 VanDerWaalsContact C-N 3.28Å; D64-S66 PolarHBondContact O-N 2.87Å; D64-S66 WeakPolarHBondContact OD1-CB 2.97Å; D64-S66 PolarHBondContact OD1-N 3.46Å; D64-S66 PolarHBondContact OD1-OG 3.19Å; D64-S66 PolarHBondContact OD2-OG 2.86Å
67	S	96.9	Very high	97.1	Very high	36 Å²	36	44.7 Å²	44.7	25%	0.252	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-1.5	176.4	64.7	0	0	0	0	113.5	D64 K65 T69	D64-S67 WeakPolarHBondContact CB-OG 3.22Å; D64-S67 VanDerWaalsContact OD2-CB 3.3Å; D64-S67 WeakPolarHBondContact OD2-CB 3.48Å; D64-S67 PolarHBondContact OD2-OG 3.27Å; K65-S67 PolarHBondContact O-N 3.29Å; S67-T69 PolarHBondContact O-N 2.9Å; S67-T69 PolarHBondContact O-OG1 3.27Å; S67-T69 WeakPolarHBondContact OG-CB 3.44Å; S67-T69 PolarHBondContact OG-OG1 2.85Å
68	S	97.1	Very high	97.3	Very high	41 Å²	41	44 Å²	44	29%	0.287	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	43.7	-173.8	-62.6	0	0	0	0	112.2	A15 F20 D64 K65	A15-S68 WeakPolarHBondContact CB-O 3.25Å; A15-S68 PolarHBondContact N-O 2.91Å; F20-S68 VanDerWaalsContact CD1-CA 3.49Å; D64-S68 WeakPolarHBondContact O-CA 3.45Å; D64-S68 PolarHBondContact O-N 3.15Å; K65-S68 PolarHBondContact O-N 3.39Å
69	T	98.2	Very high	97.2	Very high	9 Å²	9	46.1 Å²	46.1	6%	0.055	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.2	-173.1	-56.3	0	0	0	0	110.8	C13 K14 D64 S67 Y71	C13-T69 WeakPolarHBondContact O-CA 3.38Å; K14-T69 HydrophobicContact CB-CG2 4.47Å; D64-T69 PolarHBondContact N-O 2.91Å; D64-T69 PolarHBondContact O-N 3.49Å; S67-T69 PolarHBondContact O-N 2.9Å; S67-T69 PolarHBondContact O-OG1 3.27Å; S67-T69 WeakPolarHBondContact OG-CB 3.44Å; S67-T69 PolarHBondContact OG-OG1 2.85Å; T69-Y71 HydrophobicContact CG2-CD1 4.35Å; T69-Y71 HydrophobicContact CG2-CD2 4.38Å; T69-Y71 HydrophobicContact CG2-CE1 3.73Å; T69-Y71 HydrophobicContact CG2-CE2 3.75Å; T69-Y71 WeakPolarHBondContact CG2-OH 3.29Å; T69-Y71 WeakPolarHBondContact O-CE2 3.35Å
70	A	98.1	Very high	96.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	149.7	168	0	0	0	0	0	110.2	S12 C13 F20 M25 W27 I42 T62	S12-A70 CarbonylContact C-O 3.53Å; S12-A70 WeakPolarHBondContact CA-O 3.36Å; C13-A70 PolarHBondContact N-O 2.92Å; C13-A70 PolarHBondContact O-N 2.96Å; F20-A70 HydrophobicContact CE2-CB 4.39Å; F20-A70 HydrophobicContact CZ-CB 4Å; M25-A70 HydrophobicContact CB-CB 3.97Å; M25-A70 HydrophobicContact CG-CB 3.57Å; W27-A70 HydrophobicContact CZ2-CB 4.27Å; I42-A70 HydrophobicContact CG2-CB 4.49Å; T62-A70 CarbonylContact O-C 3.58Å; T62-A70 WeakPolarHBondContact O-CA 3.31Å
71	Y	98.4	Very high	96.8	Very high	68 Å²	68	51.3 Å²	51.3	27%	0.267	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	148.2	178	-55.4	-91.2	0	0	0	110.9	T10 L11 L61 T62 D64 T69	T10-Y71 HydrophobicContact CG2-CD1 4.18Å; L11-Y71 CarbonylContact O-C 3.59Å; L11-Y71 WeakPolarHBondContact O-CA 3.31Å; L61-Y71 WeakPolarHBondContact CA-O 3.36Å; T62-Y71 PolarHBondContact N-O 3.42Å; T62-Y71 PolarHBondContact O-N 2.95Å; D64-Y71 HydrophobicContact CB-CE2 4.04Å; T69-Y71 HydrophobicContact CG2-CD1 4.35Å; T69-Y71 HydrophobicContact CG2-CD2 4.38Å; T69-Y71 HydrophobicContact CG2-CE1 3.73Å; T69-Y71 HydrophobicContact CG2-CE2 3.75Å; T69-Y71 WeakPolarHBondContact CG2-OH 3.29Å; T69-Y71 WeakPolarHBondContact O-CE2 3.35Å
72	M	98.4	Very high	96.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	114.7	168.4	176.5	176.5	68.5	0	0	109.1	T10 L11 W27 I39 A59 I60 L61 L74 Y85	T10-M72 WeakPolarHBondContact CA-O 3.49Å; L11-M72 HydrophobicContact CD1-CE 3.74Å; L11-M72 PolarHBondContact N-O 2.95Å; L11-M72 PolarHBondContact O-N 2.96Å; W27-M72 HydrophobicContact CB-SD 3.84Å; W27-M72 HydrophobicContact CD2-CB 3.7Å; W27-M72 HydrophobicContact CD2-CE 4.19Å; W27-M72 HydrophobicContact CD2-CG 4.49Å; W27-M72 HydrophobicContact CD2-SD 4.08Å; W27-M72 HydrophobicContact CE3-CB 4Å; W27-M72 HydrophobicContact CE3-CE 3.69Å; W27-M72 HydrophobicContact CE3-SD 4.2Å; W27-M72 HydrophobicContact CG-CB 4.19Å; W27-M72 HydrophobicContact CG-SD 3.96Å; W27-M72 HydrophobicContact CH2-CB 4.16Å; W27-M72 HydrophobicContact CZ2-CB 3.9Å; W27-M72 HydrophobicContact CZ3-CB 4.22Å; W27-M72 HydrophobicContact CZ3-CE 4.24Å; I39-M72 HydrophobicContact CD1-CE 3.85Å; I39-M72 HydrophobicContact CD1-SD 3.61Å; I39-M72 HydrophobicContact CG2-SD 3.89Å; A59-M72 HydrophobicContact CB-CG 4.31Å; A59-M72 HydrophobicContact CB-SD 4.31Å; I60-M72 CarbonylContact O-C 3.52Å; I60-M72 WeakPolarHBondContact O-CA 3.12Å; L61-M72 HydrophobicContact CD2-CB 3.73Å; L61-M72 HydrophobicContact CD2-CG 3.58Å; L61-M72 HydrophobicContact CD2-SD 4.03Å; M72-L74 HydrophobicContact CE-CD1 3.91Å; M72-L74 HydrophobicContact CE-CD2 4.14Å; M72-L74 HydrophobicContact CE-CG 3.97Å; M72-L74 HydrophobicContact CG-CD2 4.3Å; M72-L74 HydrophobicContact CG-CG 4.28Å; M72-L74 HydrophobicContact SD-CD2 3.99Å; M72-L74 HydrophobicContact SD-CG 4.33Å; M72-Y85 HydrophobicContact CE-CD1 3.68Å; M72-Y85 HydrophobicContact CE-CE1 4.27Å; M72-Y85 HydrophobicContact CE-CG 4.31Å
73	E	98.3	Very high	96.6	Very high	47 Å²	47	49.5 Å²	49.5	22%	0.22	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	121.6	167.5	-169.5	-166.5	161.6	0	0	108.9	V9 A59 I60 R75	V9-E73 CarbonylContact O-C 3.59Å; V9-E73 WeakPolarHBondContact O-CA 3.47Å; A59-E73 CarbonylContact C-O 3.41Å; A59-E73 VanDerWaalsContact CA-O 3.31Å; A59-E73 WeakPolarHBondContact CA-O 3.3Å; I60-E73 HydrophobicContact CB-CB 4.31Å; I60-E73 PolarHBondContact N-O 2.03Å; I60-E73 PolarHBondContact O-N 3.23Å; E73-R75 VanDerWaalsContact CD-NE 3.28Å; E73-R75 HydrophobicContact CG-CG 4.25Å; E73-R75 WeakPolarHBondContact OE1-CG 3.43Å; E73-R75 IonicContact OE1-CZ 3.8Å; E73-R75 IonicContact OE1-NE 3.61Å; E73-R75 PolarHBondContact OE1-NE 2.89Å; E73-R75 IonicContact OE1-NH2 2.78Å; E73-R75 PolarHBondContact OE1-NH2 2.84Å; E73-R75 IonicContact OE2-CZ 3.79Å; E73-R75 IonicContact OE2-NE 3.98Å; E73-R75 PolarHBondContact OE2-NE 2.84Å; E73-R75 IonicContact OE2-NH2 3.52Å; E73-R75 PolarHBondContact OE2-NH2 3.03Å
74	L	97.5	Very high	96.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.7	169.9	-65.2	168.2	0	0	0	109	S8 V9 A59 M72 L77 Y85	S8-L74 CarbonylContact C-O 3.54Å; S8-L74 WeakPolarHBondContact CA-O 3.37Å; S8-L74 WeakPolarHBondContact CB-O 3.38Å; V9-L74 HydrophobicContact CG1-CB 4.09Å; V9-L74 HydrophobicContact CG1-CD1 4.25Å; V9-L74 PolarHBondContact N-O 2.81Å; V9-L74 PolarHBondContact O-N 3.12Å; A59-L74 HydrophobicContact CB-CD2 3.95Å; M72-L74 HydrophobicContact CE-CD1 3.91Å; M72-L74 HydrophobicContact CE-CD2 4.14Å; M72-L74 HydrophobicContact CE-CG 3.97Å; M72-L74 HydrophobicContact CG-CD2 4.3Å; M72-L74 HydrophobicContact CG-CG 4.28Å; M72-L74 HydrophobicContact SD-CD2 3.99Å; M72-L74 HydrophobicContact SD-CG 4.33Å; L74-L77 HydrophobicContact CB-CD2 3.76Å; L74-L77 HydrophobicContact CB-CG 4.5Å; L74-L77 HydrophobicContact CD1-CD2 4.32Å; L74-Y85 HydrophobicContact CD1-CD1 4.1Å; L74-Y85 HydrophobicContact CD1-CE1 3.55Å; L74-Y85 HydrophobicContact CD1-CE2 4.16Å
75	R	97.1	Very high	96.6	Very high	104 Å²	104	47 Å²	47	39%	0.392	26%	0.263	S	S	.	.			trans	-105.3	153.4	-175	-65.5	-173.2	169.3	174.2	5.2	113.2	S8 K58 I60 E73 L77	S8-R75 WeakPolarHBondContact OG-CA 3.23Å; K58-R75 WeakPolarHBondContact CD-O 3.45Å; K58-R75 WeakPolarHBondContact CE-O 3Å; K58-R75 PolarHBondContact NZ-O 2.91Å; K58-R75 PolarHBondContact O-N 2.64Å; I60-R75 VanDerWaalsContact CD1-NH2 3.27Å; E73-R75 VanDerWaalsContact CD-NE 3.28Å; E73-R75 HydrophobicContact CG-CG 4.25Å; E73-R75 WeakPolarHBondContact OE1-CG 3.43Å; E73-R75 IonicContact OE1-CZ 3.8Å; E73-R75 IonicContact OE1-NE 3.61Å; E73-R75 PolarHBondContact OE1-NE 2.89Å; E73-R75 IonicContact OE1-NH2 2.78Å; E73-R75 PolarHBondContact OE1-NH2 2.84Å; E73-R75 IonicContact OE2-CZ 3.79Å; E73-R75 IonicContact OE2-NE 3.98Å; E73-R75 PolarHBondContact OE2-NE 2.84Å; E73-R75 IonicContact OE2-NH2 3.52Å; E73-R75 PolarHBondContact OE2-NH2 3.03Å; R75-L77 VanDerWaalsContact C-N 3.31Å; R75-L77 PolarHBondContact O-N 2.91Å
76	S	95.8	Very high	96.7	Very high	79 Å²	79	44.4 Å²	44.4	55%	0.552	25%	0.25	S	S	*	.	S	Bend	trans	51.7	48.8	170.1	-54.5	0	0	0	0	112.5	A7 K58	A7-S76 PolarHBondContact O-N 3.15Å; K58-S76 PolarHBondContact NZ-O 3.03Å
77	L	95.9	Very high	96.8	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	22%	0.218	C	C	.	.			trans	-59.6	140.9	-170.7	-70.9	168.1	0	0	0	112.6	V3 P5 G6 A7 V9 L74 R75 D81 V113	V3-L77 HydrophobicContact CB-CD1 4.48Å; V3-L77 HydrophobicContact CG2-CD1 3.72Å; P5-L77 CarbonylContact C-O 3.55Å; P5-L77 WeakPolarHBondContact CA-O 3.49Å; G6-L77 PolarHBondContact N-O 2.86Å; A7-L77 WeakPolarHBondContact O-CB 3.29Å; A7-L77 WeakPolarHBondContact O-CG 3.24Å; A7-L77 PolarHBondContact O-N 2.85Å; V9-L77 HydrophobicContact CB-CD1 4.07Å; V9-L77 HydrophobicContact CG1-CD1 3.73Å; L74-L77 HydrophobicContact CB-CD2 3.76Å; L74-L77 HydrophobicContact CB-CG 4.5Å; L74-L77 HydrophobicContact CD1-CD2 4.32Å; R75-L77 VanDerWaalsContact C-N 3.31Å; R75-L77 PolarHBondContact O-N 2.91Å; L77-D81 WeakPolarHBondContact CA-OD2 3.48Å; L77-D81 HydrophobicContact CD2-CB 3.54Å; L77-V113 HydrophobicContact CB-CG1 4.2Å; L77-V113 HydrophobicContact CB-CG2 3.96Å; L77-V113 HydrophobicContact CD1-CG2 4.47Å
78	T	95.4	Very high	96.7	Very high	58 Å²	58	38.2 Å²	38.2	36%	0.356	21%	0.207	S	C	.	.			trans	-117.3	169.8	173.5	67.4	0	0	0	0	109.9	E80 D81 V113	T78-E80 PolarHBondContact O-N 2.82Å; T78-E80 VanDerWaalsContact O-N 3.15Å; T78-D81 PolarHBondContact N-OD2 3.38Å; T78-D81 WeakPolarHBondContact O-CB 3.41Å; T78-D81 PolarHBondContact O-N 3.06Å; T78-D81 PolarHBondContact OG1-OD2 2.83Å; T78-V113 VanDerWaalsContact O-CB 3.3Å; T78-V113 WeakPolarHBondContact O-CB 3.3Å; T78-V113 VanDerWaalsContact O-CG2 3.3Å; T78-V113 WeakPolarHBondContact O-CG2 3.4Å
79	S	93.9	Very high	96.3	Very high	87 Å²	87	37.5 Å²	37.5	61%	0.608	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-54.5	-32.9	175.8	48.9	0	0	0	0	112.8	D81 S82	S79-D81 PolarHBondContact O-N 2.88Å; S79-S82 VanDerWaalsContact O-CB 3.31Å; S79-S82 WeakPolarHBondContact O-CB 3.48Å; S79-S82 PolarHBondContact O-N 2.96Å; S79-S82 VanDerWaalsContact O-N 3.11Å; S79-S82 PolarHBondContact O-OG 2.77Å
80	E	92.5	Very high	95.4	Very high	152 Å²	152	41.5 Å²	41.5	71%	0.71	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-66.5	-17.6	177.1	-60.9	180	176.1	0	0	113.5	K29 T78 S82	K29-E80 PolarHBondContact NZ-O 2.95Å; T78-E80 PolarHBondContact O-N 2.82Å; T78-E80 VanDerWaalsContact O-N 3.15Å; E80-S82 VanDerWaalsContact C-N 3.25Å; E80-S82 PolarHBondContact O-N 3.48Å
81	D	94.8	Very high	94	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.064	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-81.9	-3	174.7	-61.9	-49.4	0	0	0	113	K29 K58 L77 T78 S79 A83 Y85 V113	K29-D81 IonicContact NZ-OD1 2.79Å; K58-D81 WeakPolarHBondContact CE-OD2 3.37Å; K58-D81 IonicContact NZ-OD2 3.35Å; K58-D81 PolarHBondContact NZ-OD2 3.35Å; L77-D81 WeakPolarHBondContact CA-OD2 3.48Å; L77-D81 HydrophobicContact CD2-CB 3.54Å; T78-D81 PolarHBondContact N-OD2 3.38Å; T78-D81 WeakPolarHBondContact O-CB 3.41Å; T78-D81 PolarHBondContact O-N 3.06Å; T78-D81 PolarHBondContact OG1-OD2 2.83Å; S79-D81 PolarHBondContact O-N 2.88Å; D81-A83 PolarHBondContact O-N 2.88Å; D81-Y85 WeakPolarHBondContact O-CE2 3.26Å; D81-Y85 PolarHBondContact O-OH 2.79Å; D81-V113 HydrophobicContact CB-CG2 4.25Å
82	S	96.2	Very high	92.2	Very high	39 Å²	39	44.1 Å²	44.1	27%	0.273	24%	0.243	S	C	.	.			trans	-67.4	113.2	173.9	-56.4	0	0	0	0	110.6	S79 E80 V111 V113	S79-S82 VanDerWaalsContact O-CB 3.31Å; S79-S82 WeakPolarHBondContact O-CB 3.48Å; S79-S82 PolarHBondContact O-N 2.96Å; S79-S82 VanDerWaalsContact O-N 3.11Å; S79-S82 PolarHBondContact O-OG 2.77Å; E80-S82 VanDerWaalsContact C-N 3.25Å; E80-S82 PolarHBondContact O-N 3.48Å; S82-V111 CarbonylContact C-O 3.56Å; S82-V111 VanDerWaalsContact CA-O 3.25Å; S82-V111 WeakPolarHBondContact CA-O 3.47Å; S82-V113 PolarHBondContact OG-N 2.79Å
83	A	97.1	Very high	90.1	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.033	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	166.5	-171.5	0	0	0	0	0	111.1	K29 Q30 T31 D81 Y85 V111	K29-A83 HydrophobicContact CD-CB 4.15Å; K29-A83 HydrophobicContact CG-CB 3.48Å; K29-A83 VanDerWaalsContact CG-CB 3.48Å; Q30-A83 WeakPolarHBondContact O-CA 3.39Å; Q30-A83 VanDerWaalsContact O-CB 3.23Å; Q30-A83 WeakPolarHBondContact O-CB 3.17Å; T31-A83 HydrophobicContact CG2-CB 4.2Å; D81-A83 PolarHBondContact O-N 2.88Å; A83-Y85 HydrophobicContact CB-CD2 4.31Å; A83-Y85 HydrophobicContact CB-CE2 3.73Å; A83-Y85 WeakPolarHBondContact O-CD2 3.39Å; A83-V111 PolarHBondContact N-O 3.47Å; A83-V111 PolarHBondContact O-N 3.43Å
84	V	97.9	Very high	87.9	Confident	36 Å²	36	54.6 Å²	54.6	22%	0.218	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	127.9	163.4	-170.8	0	0	0	0	108.3	Q30 Y86 T109 L110	Q30-V84 HydrophobicContact CB-CB 4.48Å; Q30-V84 PolarHBondContact N-O 2.65Å; Q30-V84 PolarHBondContact O-N 2.99Å; Q30-V84 VanDerWaalsContact O-N 3.1Å; V84-Y86 HydrophobicContact CB-CE2 3.75Å; V84-Y86 HydrophobicContact CG1-CD2 4.22Å; V84-Y86 HydrophobicContact CG1-CE1 4.12Å; V84-Y86 HydrophobicContact CG1-CE2 3.45Å; V84-Y86 VanDerWaalsContact CG1-CE2 3.45Å; V84-Y86 WeakPolarHBondContact CG1-OH 3.44Å; V84-T109 WeakPolarHBondContact CA-O 3.02Å; V84-L110 HydrophobicContact CG2-CB 4.46Å; V84-L110 HydrophobicContact CG2-CD1 4.09Å
85	Y	98	Very high	85.6	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.016	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.7	-179.5	-69.7	-90.5	0	0	0	110	L11 V28 K29 I39 M72 L74 D81 A83 G108 T109 V111	L11-Y85 VanDerWaalsContact CD1-CB 3.41Å; L11-Y85 HydrophobicContact CD1-CD1 4.36Å; L11-Y85 HydrophobicContact CD1-CD2 4.14Å; L11-Y85 HydrophobicContact CD1-CG 3.72Å; V28-Y85 WeakPolarHBondContact O-CA 3.37Å; K29-Y85 HydrophobicContact CB-CD1 4.15Å; K29-Y85 HydrophobicContact CB-CE1 3.87Å; K29-Y85 HydrophobicContact CD-CE1 4.04Å; K29-Y85 HydrophobicContact CG-CD1 4.3Å; K29-Y85 HydrophobicContact CG-CE1 3.71Å; I39-Y85 HydrophobicContact CD1-CD1 3.73Å; I39-Y85 HydrophobicContact CD1-CE1 3.83Å; M72-Y85 HydrophobicContact CE-CD1 3.68Å; M72-Y85 HydrophobicContact CE-CE1 4.27Å; M72-Y85 HydrophobicContact CE-CG 4.31Å; L74-Y85 HydrophobicContact CD1-CD1 4.1Å; L74-Y85 HydrophobicContact CD1-CE1 3.55Å; L74-Y85 HydrophobicContact CD1-CE2 4.16Å; D81-Y85 WeakPolarHBondContact O-CE2 3.26Å; D81-Y85 PolarHBondContact O-OH 2.79Å; A83-Y85 HydrophobicContact CB-CD2 4.31Å; A83-Y85 HydrophobicContact CB-CE2 3.73Å; A83-Y85 WeakPolarHBondContact O-CD2 3.39Å; Y85-G108 CarbonylContact O-C 3.58Å; Y85-G108 WeakPolarHBondContact O-CA 3.45Å; Y85-T109 PolarHBondContact N-O 3.13Å; Y85-T109 PolarHBondContact O-N 3.27Å; Y85-V111 HydrophobicContact CD2-CB 3.96Å; Y85-V111 HydrophobicContact CD2-CG2 3.75Å; Y85-V111 HydrophobicContact CE2-CB 3.8Å; Y85-V111 HydrophobicContact CE2-CG2 4.04Å
86	Y	97.6	Very high	83.4	Confident	45 Å²	45	63.5 Å²	63.5	18%	0.176	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	144.5	-178.3	-62.3	-89.4	0	0	0	110.2	W27 V28 Q30 V84 W105 G106 Q107 G108	W27-Y86 WeakPolarHBondContact CA-O 3.42Å; V28-Y86 PolarHBondContact N-O 3.3Å; V28-Y86 PolarHBondContact O-N 3.1Å; Q30-Y86 HydrophobicContact CB-CD2 4.22Å; Q30-Y86 HydrophobicContact CB-CE2 3.71Å; Q30-Y86 PolarHBondContact OE1-OH 3Å; V84-Y86 HydrophobicContact CB-CE2 3.75Å; V84-Y86 HydrophobicContact CG1-CD2 4.22Å; V84-Y86 HydrophobicContact CG1-CE1 4.12Å; V84-Y86 HydrophobicContact CG1-CE2 3.45Å; V84-Y86 VanDerWaalsContact CG1-CE2 3.45Å; V84-Y86 WeakPolarHBondContact CG1-OH 3.44Å; Y86-W105 HydrophobicContact CD1-CE3 4.14Å; Y86-W105 HydrophobicContact CD2-CZ3 4.4Å; Y86-W105 AromaticContact CG-CE3 3.89Å; Y86-W105 HydrophobicContact CG-CE3 3.89Å; Y86-W105 HydrophobicContact CG-CZ3 4.06Å; Y86-G106 WeakPolarHBondContact CD1-O 3.46Å; Y86-Q107 WeakPolarHBondContact CE1-O 3.43Å; Y86-G108 VanDerWaalsContact CE1-CA 3.44Å
87	C	96.7	Very high	81.2	Confident	15 Å²	15	70.7 Å²	70.7	10%	0.101	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	148.9	157.7	60.6	0	0	0	0	109.4	C13 M25 H26 W27 G106	C13-C87 HydrophobicContact CB-CB 3.39Å; C13-C87 WeakPolarHBondContact CB-SG 3.22Å; C13-C87 WeakPolarHBondContact SG-CB 3.49Å; C13-C87 CovalentContact SG-SG 2.03Å; C13-C87 PolarHBondContact SG-SG 2.9Å; M25-C87 HydrophobicContact CG-CB 4.43Å; M25-C87 HydrophobicContact SD-CB 3.74Å; H26-C87 CarbonylContact O-C 3.55Å; H26-C87 VanDerWaalsContact O-CA 3.25Å; H26-C87 WeakPolarHBondContact O-CA 3.44Å; W27-C87 HydrophobicContact CD2-CB 4.45Å; W27-C87 HydrophobicContact CE3-CB 4.24Å; W27-C87 HydrophobicContact CH2-CB 4.35Å; W27-C87 HydrophobicContact CZ3-CB 4.2Å; C87-G106 PolarHBondContact O-N 2.6Å
88	T	94.9	Very high	79.3	Confident	2 Å²	2	78.3 Å²	78.3	1%	0.012	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	158.9	179	-175.8	0	0	0	0	111.7	M25 H26 V28 F102 Y104 W105	M25-T88 VanDerWaalsContact SD-O 3.41Å; H26-T88 HydrophobicContact CB-CG2 3.79Å; H26-T88 PolarHBondContact N-O 2.81Å; H26-T88 PolarHBondContact O-N 3.45Å; V28-T88 HydrophobicContact CG2-CG2 4Å; T88-F102 HydrophobicContact CG2-CB 3.92Å; T88-F102 HydrophobicContact CG2-CD1 3.48Å; T88-F102 VanDerWaalsContact CG2-CD1 3.48Å; T88-F102 HydrophobicContact CG2-CD2 4.28Å; T88-F102 HydrophobicContact CG2-CE1 4.11Å; T88-F102 HydrophobicContact CG2-CG 3.6Å; T88-F102 VanDerWaalsContact OG1-CB 3.32Å; T88-F102 WeakPolarHBondContact OG1-CB 3.43Å; T88-Y104 CarbonylContact C-O 3.58Å; T88-Y104 WeakPolarHBondContact CA-O 3.25Å; T88-Y104 WeakPolarHBondContact CB-O 3.43Å; T88-Y104 PolarHBondContact OG1-O 3.23Å; T88-W105 HydrophobicContact CG2-CD2 4.5Å; T88-W105 HydrophobicContact CG2-CH2 4.37Å; T88-W105 HydrophobicContact CG2-CZ2 4.3Å
89	R	89.9	Confident	76.9	Confident	26 Å²	26	77.2 Å²	77.2	10%	0.098	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	155.5	173.4	68.9	170.9	-170.2	123.9	2.2	111.5	Y18 F102 A103 Y104	Y18-R89 VanDerWaalsContact CZ-CD 3.44Å; R89-F102 CarbonylContact O-C 3.52Å; R89-A103 PolarHBondContact O-N 3.07Å; R89-Y104 HydrophobicContact CG-CD2 4.07Å; R89-Y104 HydrophobicContact CG-CG 4.38Å; R89-Y104 PolarHBondContact N-O 3.41Å; R89-Y104 PolarHBondContact O-N 3.02Å
90	E	79.1	Confident	75	Confident	93 Å²	93	75.3 Å²	75.3	44%	0.435	39%	0.386	S	S	.	.			trans	-73.6	158.9	174.7	-61.7	-177.4	166.7	0	0	112.1	H26 F102	H26-E90 IonicContact CE1-OE1 2.86Å; H26-E90 IonicContact NE2-OE1 3.38Å; E90-F102 HydrophobicContact CG-CD1 4.41Å
91	N	69.5	Low	73.5	Confident	86 Å²	86	79.6 Å²	79.6	46%	0.46	40%	0.395	S	S	.	.			trans	-80.9	129.4	169.1	-157.8	0.9	0	0	0	108.8	S93 A103	N91-S93 PolarHBondContact O-N 2.86Å; N91-S93 VanDerWaalsContact O-N 3.12Å; N91-A103 HydrophobicContact CB-CB 3.56Å
92	G	60.3	Low	72.3	Confident	37 Å²	37	81 Å²	81	38%	0.381	40%	0.401	S	S	.	.	S	Bend	trans	-75.4	105.1	-174.8	0	0	0	0	0	113.4	Y23	Y23-G92 VanDerWaalsContact CE1-CA 3.43Å
93	S	54	Low	71.4	Confident	52 Å²	52	81.4 Å²	81.4	36%	0.364	41%	0.406	S	S	.	.				-156.3	134.1	127.8	76.6	0	0	0	0	110.3	N91 Y95 D96	N91-S93 PolarHBondContact O-N 2.86Å; N91-S93 VanDerWaalsContact O-N 3.12Å; S93-Y95 PolarHBondContact O-N 3.33Å; S93-D96 WeakPolarHBondContact OG-CA 3.41Å; S93-D96 WeakPolarHBondContact OG-CB 3.34Å; S93-D96 VanDerWaalsContact OG-CG 3.23Å; S93-D96 PolarHBondContact OG-N 3.27Å; S93-D96 PolarHBondContact OG-OD2 3Å
94	Y	52.1	Low	71	Confident	214 Å²	214	86.8 Å²	86.8	84%	0.839	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-5.2	169.5	-176	-98.8	0	0	0	112.5
95	Y	49.7	Very low	70.8	Confident	182 Å²	182	89.8 Å²	89.8	71%	0.714	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	-6.1	-171.4	-65.2	-75	0	0	0	114.7	S93 Y97	S93-Y95 PolarHBondContact O-N 3.33Å; Y95-Y97 PolarHBondContact O-N 3.4Å
96	D	49.3	Very low	70.6	Confident	109 Å²	109	90.8 Å²	90.8	58%	0.583	45%	0.446	S	S	*	.			trans	-84.4	100.1	170.8	-89.3	-47.2	0	0	0	109.4	S93 D98	S93-D96 WeakPolarHBondContact OG-CA 3.41Å; S93-D96 WeakPolarHBondContact OG-CB 3.34Å; S93-D96 VanDerWaalsContact OG-CG 3.23Å; S93-D96 PolarHBondContact OG-N 3.27Å; S93-D96 PolarHBondContact OG-OD2 3Å; D96-D98 PolarHBondContact O-N 3.03Å
97	Y	49.6	Very low	70.5	Confident	230 Å²	230	97.5 Å²	97.5	90%	0.902	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	10.1	168.6	-74.2	-83.1	0	0	0	113.5	Y95	Y95-Y97 PolarHBondContact O-N 3.4Å
98	D	56.5	Low	70.5	Confident	161 Å²	161	98.1 Å²	98.1	86%	0.861	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.7	17.6	-173.1	-132.5	1.2	0	0	0	115.1	D96	D96-D98 PolarHBondContact O-N 3.03Å
99	G	46.3	Very low	70.6	Confident	35 Å²	35	101.3 Å²	101.3	36%	0.361	51%	0.507	S	S	.	.			trans	-104.3	26.2	-152.3	0	0	0	0	0	121.8
100	G	52.6	Low	70.9	Confident	48 Å²	48	104.7 Å²	104.7	50%	0.495	53%	0.527	S	S	.	.			trans	82.7	109.6	162.6	0	0	0	0	0	118	F102	G100-F102 PolarHBondContact O-N 3.1Å
101	W	62.3	Low	71.8	Confident	241 Å²	241	100.3 Å²	100.3	91%	0.913	51%	0.506	S	S	*	.	S	Bend	trans	-56	107.5	166.7	-50.2	81.7	0	0	0	109.3
102	F	69.8	Low	73.1	Confident	42 Å²	42	98.6 Å²	98.6	18%	0.184	50%	0.499	C	S	.	.			trans	61.5	81.2	176.1	-54.6	-44.9	0	0	0	115.8	H26 W38 T88 R89 E90 G100 W105	H26-F102 HydrophobicContact CB-CD1 4.25Å; H26-F102 HydrophobicContact CB-CE1 3.67Å; H26-F102 HydrophobicContact CB-CZ 4.25Å; H26-F102 AromaticContact CD2-CE1 3.65Å; H26-F102 AromaticContact CE1-CE1 3.82Å; H26-F102 AromaticContact CG-CE1 3.3Å; H26-F102 AromaticContact ND1-CE1 3.4Å; H26-F102 WeakPolarHBondContact ND1-CE1 3.21Å; H26-F102 AromaticContact ND1-CZ 3.93Å; H26-F102 AromaticContact NE2-CE1 3.95Å; W38-F102 AromaticContact CD1-CZ 3.74Å; T88-F102 HydrophobicContact CG2-CB 3.92Å; T88-F102 HydrophobicContact CG2-CD1 3.48Å; T88-F102 VanDerWaalsContact CG2-CD1 3.48Å; T88-F102 HydrophobicContact CG2-CD2 4.28Å; T88-F102 HydrophobicContact CG2-CE1 4.11Å; T88-F102 HydrophobicContact CG2-CG 3.6Å; T88-F102 VanDerWaalsContact OG1-CB 3.32Å; T88-F102 WeakPolarHBondContact OG1-CB 3.43Å; R89-F102 CarbonylContact O-C 3.52Å; E90-F102 HydrophobicContact CG-CD1 4.41Å; G100-F102 PolarHBondContact O-N 3.1Å; F102-W105 HydrophobicContact CB-CZ2 3.7Å; F102-W105 HydrophobicContact CD2-CZ2 4.03Å; F102-W105 HydrophobicContact CG-CZ2 4.16Å; F102-W105 PolarHBondContact O-NE1 2.83Å
103	A	76.8	Confident	74.7	Confident	47 Å²	47	97.1 Å²	97.1	39%	0.388	48%	0.483	S	S	.	.			trans	-79.7	-25.3	-176.4	0	0	0	0	0	115.2	R89 N91	R89-A103 PolarHBondContact O-N 3.07Å; N91-A103 HydrophobicContact CB-CB 3.56Å
104	Y	87.8	Confident	76.6	Confident	117 Å²	117	97.2 Å²	97.2	46%	0.459	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	119.8	-176.5	-61.9	-84.1	0	0	0	111.5	T88 R89	T88-Y104 CarbonylContact C-O 3.58Å; T88-Y104 WeakPolarHBondContact CA-O 3.25Å; T88-Y104 WeakPolarHBondContact CB-O 3.43Å; T88-Y104 PolarHBondContact OG1-O 3.23Å; R89-Y104 HydrophobicContact CG-CD2 4.07Å; R89-Y104 HydrophobicContact CG-CG 4.38Å; R89-Y104 PolarHBondContact N-O 3.41Å; R89-Y104 PolarHBondContact O-N 3.02Å
105	W	93.5	Very high	78	Confident	99 Å²	99	93.7 Å²	93.7	38%	0.375	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	141.6	-177.7	-68.4	70	0	0	0	111.6	V28 L36 Y86 T88 F102	V28-W105 HydrophobicContact CB-CH2 4.06Å; V28-W105 HydrophobicContact CB-CZ3 3.88Å; V28-W105 HydrophobicContact CG1-CH2 3.97Å; V28-W105 HydrophobicContact CG1-CZ3 4.02Å; V28-W105 HydrophobicContact CG2-CH2 3.83Å; V28-W105 HydrophobicContact CG2-CZ3 4.03Å; L36-W105 HydrophobicContact CD1-CH2 3.98Å; L36-W105 HydrophobicContact CD2-CH2 4.31Å; L36-W105 HydrophobicContact CD2-CZ3 4.21Å; Y86-W105 HydrophobicContact CD1-CE3 4.14Å; Y86-W105 HydrophobicContact CD2-CZ3 4.4Å; Y86-W105 AromaticContact CG-CE3 3.89Å; Y86-W105 HydrophobicContact CG-CE3 3.89Å; Y86-W105 HydrophobicContact CG-CZ3 4.06Å; T88-W105 HydrophobicContact CG2-CD2 4.5Å; T88-W105 HydrophobicContact CG2-CH2 4.37Å; T88-W105 HydrophobicContact CG2-CZ2 4.3Å; F102-W105 HydrophobicContact CB-CZ2 3.7Å; F102-W105 HydrophobicContact CD2-CZ2 4.03Å; F102-W105 HydrophobicContact CG-CZ2 4.16Å; F102-W105 PolarHBondContact O-NE1 2.83Å
106	G	94.6	Very high	79.5	Confident	26 Å²	26	89.3 Å²	89.3	27%	0.268	49%	0.488	S	S	.	.			trans	-67.2	166.7	163.1	0	0	0	0	0	111.5	Y86 C87 G108	Y86-G106 WeakPolarHBondContact CD1-O 3.46Å; C87-G106 PolarHBondContact O-N 2.6Å; G106-G108 PolarHBondContact O-N 2.78Å
107	Q	95.4	Very high	81	Confident	186 Å²	186	88.3 Å²	88.3	87%	0.869	48%	0.483	S	S	*	.			trans	-65.4	-18.5	179.1	-66.7	-63.1	-51.1	0	0	113.7	Y86	Y86-Q107 WeakPolarHBondContact CE1-O 3.43Å
108	G	96.2	Very high	82.8	Confident	28 Å²	28	80.4 Å²	80.4	29%	0.289	46%	0.46	S	S	.	.			trans	83	150.2	-175.3	0	0	0	0	0	112.8	Y85 Y86 G106	Y85-G108 CarbonylContact O-C 3.58Å; Y85-G108 WeakPolarHBondContact O-CA 3.45Å; Y86-G108 VanDerWaalsContact CE1-CA 3.44Å; G106-G108 PolarHBondContact O-N 2.78Å
109	T	97.1	Very high	84.3	Confident	68 Å²	68	75.6 Å²	75.6	42%	0.417	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	123.7	176	-76.4	0	0	0	0	109.3	L11 V84 Y85 V111	L11-T109 HydrophobicContact CD2-CG2 4.03Å; V84-T109 WeakPolarHBondContact CA-O 3.02Å; Y85-T109 PolarHBondContact N-O 3.13Å; Y85-T109 PolarHBondContact O-N 3.27Å; T109-V111 HydrophobicContact CG2-CG2 4.44Å; T109-V111 PolarHBondContact O-N 2.91Å
110	L	97.2	Very high	86.7	Confident	98 Å²	98	78.2 Å²	78.2	51%	0.513	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	123.4	171.5	177.9	63.8	0	0	0	109.8	E1 V84	E1-L110 PolarHBondContact N-O 2.72Å; V84-L110 HydrophobicContact CG2-CB 4.46Å; V84-L110 HydrophobicContact CG2-CD1 4.09Å
111	V	96.9	Very high	89	Confident	0 Å²	0	80.2 Å²	80.2	0%	0	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129	164.7	179	0	0	0	0	107.7	E1 V3 V9 L11 S82 A83 Y85 T109 V113	E1-V111 WeakPolarHBondContact O-CA 3.45Å; V3-V111 HydrophobicContact CG2-CG1 4.06Å; V9-V111 HydrophobicContact CG1-CG1 4.35Å; V9-V111 HydrophobicContact CG1-CG2 4.48Å; L11-V111 HydrophobicContact CD1-CG2 4.23Å; L11-V111 HydrophobicContact CD2-CG2 3.92Å; S82-V111 CarbonylContact C-O 3.56Å; S82-V111 VanDerWaalsContact CA-O 3.25Å; S82-V111 WeakPolarHBondContact CA-O 3.47Å; A83-V111 PolarHBondContact N-O 3.47Å; A83-V111 PolarHBondContact O-N 3.43Å; Y85-V111 HydrophobicContact CD2-CB 3.96Å; Y85-V111 HydrophobicContact CD2-CG2 3.75Å; Y85-V111 HydrophobicContact CE2-CB 3.8Å; Y85-V111 HydrophobicContact CE2-CG2 4.04Å; T109-V111 HydrophobicContact CG2-CG2 4.44Å; T109-V111 PolarHBondContact O-N 2.91Å; V111-V113 HydrophobicContact CG1-CG2 4.45Å
112	T	96.7	Very high	90.9	Very high	50 Å²	50	68.7 Å²	68.7	31%	0.307	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.4	179.3	-57	0	0	0	0	108.6	E1 L2 V3	E1-T112 PolarHBondContact O-N 3.26Å; L2-T112 WeakPolarHBondContact CA-O 3.44Å; L2-T112 HydrophobicContact CD1-CG2 3.93Å; V3-T112 WeakPolarHBondContact CG2-O 3.39Å; V3-T112 PolarHBondContact N-O 2.67Å
113	V	95.6	Very high	92.5	Very high	7 Å²	7	70.8 Å²	70.8	4%	0.042	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	110	178.8	-168.4	0	0	0	0	108.6	V3 P5 L77 T78 D81 S82 V111	V3-V113 HydrophobicContact CG2-CB 4.22Å; V3-V113 HydrophobicContact CG2-CG1 4.33Å; V3-V113 HydrophobicContact CG2-CG2 3.72Å; V3-V113 WeakPolarHBondContact O-CA 3.1Å; P5-V113 HydrophobicContact CB-CG1 4.48Å; P5-V113 HydrophobicContact CG-CG1 4.21Å; L77-V113 HydrophobicContact CB-CG1 4.2Å; L77-V113 HydrophobicContact CB-CG2 3.96Å; L77-V113 HydrophobicContact CD1-CG2 4.47Å; T78-V113 VanDerWaalsContact O-CB 3.3Å; T78-V113 WeakPolarHBondContact O-CB 3.3Å; T78-V113 VanDerWaalsContact O-CG2 3.3Å; T78-V113 WeakPolarHBondContact O-CG2 3.4Å; D81-V113 HydrophobicContact CB-CG2 4.25Å; S82-V113 PolarHBondContact OG-N 2.79Å; V111-V113 HydrophobicContact CG1-CG2 4.45Å
114	S	92.9	Very high	93.8	Very high	53 Å²	53	72.8 Å²	72.8	37%	0.371	42%	0.423	S	S	.	.			trans	-140.1	151.3	178.1	75.4	0	0	0	0	111.8	L2 V3 P5	L2-S114 WeakPolarHBondContact CD1-OG 3.31Å; V3-S114 PolarHBondContact O-N 2.78Å; V3-S114 VanDerWaalsContact O-N 3.07Å; P5-S114 WeakPolarHBondContact CD-O 3.41Å
115	A	82.3	Confident	94.4	Very high	141 Å²	141	68.7 Å²	68.7	100%	1.165	42%	0.42	S	S	*	.			trans	-67.4	0	174	0	0	0	0	0	112

Retrieved 115 of 115 residues in 52.2 ms (Link to these results)

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