X5J5R2_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5R2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 115 aa.

						>X5J5R2_MOUSE|X5J5R2
GGLVQPGGSRKLSCAASGFIFNDAGMDWVRQSPEKGLEWVAYISSGSSTIYYADTVKGRFTISRDNPKNTLFLQMTSLRSEDTAMYYCARDANYGDWNFDVWGAGTTVTVSSESA
					

Structure Viewer

Loading PAE data...

(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	G	60.1	Low	88.8	Confident	71 Å²	71	63.3 Å²	63.3	73%	0.732	40%	0.404	S	S	*	.				0	162.4	0	0	0	0	0	0	111.4	T106 T107	G1-T106 WeakPolarHBondContact CA-OG1 3.36Å; G1-T106 PolarHBondContact N-OG1 3.47Å; G1-T106 VanDerWaalsContact N-OG1 3.09Å; G1-T107 CarbonylContact C-O 3.59Å; G1-T107 WeakPolarHBondContact CA-O 3.41Å
2	G	77.9	Confident	89.5	Confident	26 Å²	26	58.6 Å²	58.6	27%	0.268	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	154	180	0	0	0	0	0	112.5	T107 T109	G2-T107 PolarHBondContact N-O 3.19Å; G2-T109 PolarHBondContact O-N 2.81Å
3	L	85.8	Confident	90	Very high	65 Å²	65	60.5 Å²	60.5	34%	0.34	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	135.4	175.5	-169	64	0	0	0	110.3	T109 E113 A115	L3-T109 CarbonylContact C-O 3.52Å; L3-T109 WeakPolarHBondContact CA-O 3.03Å; L3-T109 HydrophobicContact CD1-CG2 3.64Å; L3-E113 WeakPolarHBondContact CD2-O 3.11Å; L3-A115 HydrophobicContact CD2-CB 3.88Å
4	V	90.6	Very high	90.4	Very high	17 Å²	17	57 Å²	57	10%	0.103	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139.6	177.2	-170.9	0	0	0	0	108.6	R10 L78 T109 V110 S111	V4-R10 HydrophobicContact CG2-CB 4.2Å; V4-R10 HydrophobicContact CG2-CG 4.47Å; V4-L78 HydrophobicContact CB-CD1 4.16Å; V4-L78 HydrophobicContact CG1-CD1 3.81Å; V4-L78 HydrophobicContact CG2-CD1 4.35Å; V4-T109 PolarHBondContact N-O 2.77Å; V4-V110 VanDerWaalsContact O-CA 3.23Å; V4-V110 WeakPolarHBondContact O-CA 3.43Å; V4-S111 PolarHBondContact O-N 3.02Å; V4-S111 VanDerWaalsContact O-N 3.14Å
5	Q	92.6	Very high	90.7	Very high	88 Å²	88	58.1 Å²	58.1	41%	0.411	38%	0.384	S	S	.	.			trans	-73.7	150	174.8	-65	-64.6	-43.1	0	0	110.8	G7 G8 S111 S112 E113	Q5-G7 PolarHBondContact O-N 3.09Å; Q5-G8 WeakPolarHBondContact O-CA 3.46Å; Q5-G8 PolarHBondContact O-N 3.1Å; Q5-S111 VanDerWaalsContact CD-O 3.32Å; Q5-S111 PolarHBondContact NE2-O 3.12Å; Q5-S111 PolarHBondContact OE1-O 3.01Å; Q5-S112 VanDerWaalsContact OE1-CA 3.27Å; Q5-E113 PolarHBondContact NE2-O 3.2Å
6	P	94.5	Very high	90.8	Very high	72 Å²	72	55.3 Å²	55.3	47%	0.468	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	139.7	170.5	-25.7	33.8	0	0	0	112	G8 V110 S111	P6-G8 PolarHBondContact O-N 2.97Å; P6-V110 HydrophobicContact CB-CG1 4.39Å; P6-V110 HydrophobicContact CG-CG1 4.13Å; P6-S111 WeakPolarHBondContact CD-O 3.25Å
7	G	94.1	Very high	90.8	Very high	52 Å²	52	57.9 Å²	57.9	54%	0.536	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	-11.3	-172.3	0	0	0	0	0	114.4	Q5 L78	Q5-G7 PolarHBondContact O-N 3.09Å; G7-L78 PolarHBondContact N-O 2.9Å
8	G	94.6	Very high	90.6	Very high	22 Å²	22	59.6 Å²	59.6	23%	0.227	42%	0.415	C	S	.	.			trans	-67.3	176.6	177.7	0	0	0	0	0	113.9	Q5 P6 S77 L78	Q5-G8 WeakPolarHBondContact O-CA 3.46Å; Q5-G8 PolarHBondContact O-N 3.1Å; P6-G8 PolarHBondContact O-N 2.97Å; G8-S77 PolarHBondContact O-N 3.42Å; G8-L78 PolarHBondContact O-N 2.85Å; G8-L78 VanDerWaalsContact O-N 3.09Å
9	S	95.7	Very high	90.5	Very high	71 Å²	71	58.6 Å²	58.6	50%	0.497	40%	0.402	S	S	.	.			trans	-129.5	149.1	179.7	-63.4	0	0	0	0	111.3	M75	S9-M75 CarbonylContact C-O 3.51Å; S9-M75 WeakPolarHBondContact CA-O 3.33Å; S9-M75 WeakPolarHBondContact CB-O 3.29Å
10	R	94.9	Very high	90.5	Very high	99 Å²	99	61.6 Å²	61.6	37%	0.374	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	138.6	178.2	-178.4	70	-178.9	-158.9	1.2	110.1	V4 L12 M75 L78	V4-R10 HydrophobicContact CG2-CB 4.2Å; V4-R10 HydrophobicContact CG2-CG 4.47Å; R10-L12 HydrophobicContact CG-CD2 3.95Å; R10-M75 HydrophobicContact CB-CE 3.59Å; R10-M75 HydrophobicContact CG-CE 3.73Å; R10-M75 PolarHBondContact N-O 3.09Å; R10-M75 WeakPolarHBondContact O-CB 3.26Å; R10-M75 PolarHBondContact O-N 2.95Å; R10-L78 HydrophobicContact CB-CD1 3.97Å
11	K	96.6	Very high	90.5	Very high	113 Å²	113	58.8 Å²	58.8	49%	0.491	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126	169.6	-166.6	173.6	179.5	179.3	0	109.6	F72 L73	K11-F72 VanDerWaalsContact CE-CD1 3.44Å; K11-L73 CarbonylContact C-O 3.58Å; K11-L73 WeakPolarHBondContact CA-O 3.4Å
12	L	96.8	Very high	92	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.037	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	152.3	168.6	-52.4	-175.7	0	0	0	109.6	R10 W28 F72 L73 M75 Y86 T106 V108	R10-L12 HydrophobicContact CG-CD2 3.95Å; L12-W28 HydrophobicContact CB-CH2 3.7Å; L12-W28 HydrophobicContact CB-CZ2 4.02Å; L12-W28 HydrophobicContact CB-CZ3 4.31Å; L12-W28 HydrophobicContact CD1-CH2 4.29Å; L12-W28 HydrophobicContact CD1-CZ3 4.05Å; L12-F72 VanDerWaalsContact O-CA 3.23Å; L12-F72 WeakPolarHBondContact O-CA 3.48Å; L12-L73 HydrophobicContact CB-CB 4.27Å; L12-L73 HydrophobicContact CD1-CD2 4.47Å; L12-L73 PolarHBondContact N-O 2.75Å; L12-L73 PolarHBondContact O-N 3.33Å; L12-M75 HydrophobicContact CD1-CE 3.83Å; L12-M75 HydrophobicContact CD1-SD 3.93Å; L12-M75 HydrophobicContact CD2-CE 3.88Å; L12-M75 HydrophobicContact CG-CE 3.61Å; L12-M75 HydrophobicContact CG-SD 4.22Å; L12-Y86 HydrophobicContact CD1-CD1 4.12Å; L12-Y86 HydrophobicContact CD1-CD2 4.31Å; L12-Y86 HydrophobicContact CD1-CG 3.77Å; L12-T106 HydrophobicContact CD1-CG2 3.92Å; L12-T106 HydrophobicContact CD2-CG2 3.93Å; L12-T106 HydrophobicContact CG-CG2 4.39Å; L12-V108 HydrophobicContact CD1-CG2 4.03Å; L12-V108 HydrophobicContact CD2-CG2 3.89Å
13	S	96.3	Very high	92.5	Very high	84 Å²	84	63.1 Å²	63.1	59%	0.587	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.2	177.8	59.1	0	0	0	0	110.2	L71	S13-L71 CarbonylContact C-O 3.59Å; S13-L71 VanDerWaalsContact CA-O 3.29Å; S13-L71 WeakPolarHBondContact CA-O 2.76Å
14	C	95.4	Very high	92.7	Very high	11 Å²	11	60.8 Å²	60.8	7%	0.074	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	109	-178.7	-156.8	0	0	0	0	110.4	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 4.06Å; C14-W28 HydrophobicContact CB-CZ2 4.05Å; C14-T70 CarbonylContact O-C 3.55Å; C14-T70 WeakPolarHBondContact O-CA 3.42Å; C14-L71 HydrophobicContact CB-CB 4.31Å; C14-L71 PolarHBondContact N-O 3.48Å; C14-L71 PolarHBondContact O-N 2.94Å; C14-C88 HydrophobicContact CB-CB 3.82Å; C14-C88 WeakPolarHBondContact CB-SG 3.43Å; C14-C88 WeakPolarHBondContact SG-CB 3.38Å; C14-C88 CovalentContact SG-SG 2Å; C14-C88 PolarHBondContact SG-SG 3.49Å
15	A	94.9	Very high	92.7	Very high	74 Å²	74	60.3 Å²	60.3	61%	0.612	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.7	175.1	0	0	0	0	0	109.3
16	A	92.7	Very high	92.8	Very high	13 Å²	13	56.1 Å²	56.1	11%	0.107	36%	0.363	C	S	.	.			trans	-88	143.9	176.5	0	0	0	0	0	111.3	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.93Å; A16-F19 HydrophobicContact CB-CE2 3.95Å; A16-F19 HydrophobicContact CB-CZ 3.41Å; A16-F19 VanDerWaalsContact CB-CZ 3.41Å; A16-F21 HydrophobicContact CB-CD2 3.42Å; A16-F21 VanDerWaalsContact CB-CD2 3.42Å; A16-F21 HydrophobicContact CB-CE2 4.03Å; A16-F21 HydrophobicContact CB-CG 4.34Å; A16-N69 HydrophobicContact CB-CB 4.43Å; A16-N69 PolarHBondContact N-O 3.23Å
17	S	89.9	Confident	92.8	Very high	100 Å²	100	53 Å²	53	70%	0.699	34%	0.342	S	S	*	.			trans	-144.7	153.8	171.3	62.5	0	0	0	0	109.4	F19	S17-F19 WeakPolarHBondContact O-CD1 3.49Å
18	G	87.6	Confident	92.8	Very high	88 Å²	88	50.6 Å²	50.6	91%	0.907	32%	0.317	S	S	*	.	S	Bend	trans	84.8	3.8	176.3	0	0	0	0	0	116.3
19	F	87.8	Confident	92.9	Very high	40 Å²	40	49.7 Å²	49.7	18%	0.175	31%	0.307	C	S	.	.	S	Bend	trans	-153.7	167.6	173.3	61.6	-91.3	0	0	0	112.7	A16 S17 F21 M26 W102	A16-F19 HydrophobicContact CB-CE1 3.93Å; A16-F19 HydrophobicContact CB-CE2 3.95Å; A16-F19 HydrophobicContact CB-CZ 3.41Å; A16-F19 VanDerWaalsContact CB-CZ 3.41Å; S17-F19 WeakPolarHBondContact O-CD1 3.49Å; F19-F21 HydrophobicContact CE2-CB 4.36Å; F19-F21 HydrophobicContact CE2-CD2 4.11Å; F19-F21 HydrophobicContact CZ-CD2 4.5Å; F19-F21 PolarHBondContact O-N 2.92Å; F19-F21 VanDerWaalsContact O-N 3.16Å; F19-M26 HydrophobicContact CD2-CE 4.41Å; F19-M26 HydrophobicContact CE2-CE 3.47Å; F19-M26 VanDerWaalsContact CE2-CE 3.47Å; F19-M26 HydrophobicContact CE2-SD 4.33Å; F19-M26 HydrophobicContact CZ-CE 4.16Å; F19-W102 HydrophobicContact CE1-CB 4.19Å; F19-W102 AromaticContact CE1-CD2 3.83Å; F19-W102 HydrophobicContact CE1-CD2 3.83Å; F19-W102 AromaticContact CE1-CE3 3.97Å; F19-W102 HydrophobicContact CE1-CE3 3.97Å; F19-W102 AromaticContact CE1-CG 3.84Å; F19-W102 HydrophobicContact CE1-CG 3.84Å; F19-W102 AromaticContact CZ-CD2 3.86Å; F19-W102 HydrophobicContact CZ-CD2 3.86Å; F19-W102 AromaticContact CZ-CE3 3.9Å; F19-W102 HydrophobicContact CZ-CE3 3.9Å; F19-W102 HydrophobicContact CZ-CG 4.29Å; F19-W102 HydrophobicContact CZ-CH2 4.44Å; F19-W102 HydrophobicContact CZ-CZ2 4.42Å; F19-W102 HydrophobicContact CZ-CZ3 4.05Å
20	I	90.4	Very high	92.8	Very high	119 Å²	119	46.8 Å²	46.8	61%	0.61	29%	0.285	S	S	*	.			trans	-78.1	97.6	176.8	-56.4	172.7	0	0	0	109	N22 D23	I20-N22 VanDerWaalsContact C-N 3.27Å; I20-N22 PolarHBondContact O-N 3.23Å; I20-D23 HydrophobicContact CG2-CB 4.24Å; I20-D23 WeakPolarHBondContact CG2-OD2 3.28Å; I20-D23 PolarHBondContact O-N 3.16Å
21	F	91.4	Very high	92.8	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.009	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-58.9	-37.8	-176.6	-175.5	-98	0	0	0	113	A16 F19 D23 A24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CD2 3.42Å; A16-F21 VanDerWaalsContact CB-CD2 3.42Å; A16-F21 HydrophobicContact CB-CE2 4.03Å; A16-F21 HydrophobicContact CB-CG 4.34Å; F19-F21 HydrophobicContact CE2-CB 4.36Å; F19-F21 HydrophobicContact CE2-CD2 4.11Å; F19-F21 HydrophobicContact CZ-CD2 4.5Å; F19-F21 PolarHBondContact O-N 2.92Å; F19-F21 VanDerWaalsContact O-N 3.16Å; F21-D23 VanDerWaalsContact C-N 3.28Å; F21-D23 PolarHBondContact O-N 3.2Å; F21-A24 PolarHBondContact O-N 3.05Å; F21-M26 HydrophobicContact CD2-CE 3.63Å; F21-M26 HydrophobicContact CE2-CE 3.93Å; F21-M26 HydrophobicContact CE2-CG 4.28Å; F21-M26 HydrophobicContact CE2-SD 4.36Å; F21-M26 HydrophobicContact CG-CE 4.2Å; F21-M26 WeakPolarHBondContact O-CE 3.15Å; F21-R64 HydrophobicContact CE1-CB 4.2Å; F21-R64 HydrophobicContact CZ-CB 4.12Å; F21-R64 PolarHBondContact O-NH2 3.49Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.37Å; F21-N69 HydrophobicContact CB-CB 4Å; F21-N69 WeakPolarHBondContact CB-OD1 3.35Å; F21-N69 HydrophobicContact CD1-CB 4.42Å; F21-N69 HydrophobicContact CD2-CB 4.43Å; F21-N69 HydrophobicContact CG-CB 4.05Å; F21-L71 HydrophobicContact CE2-CB 4.42Å; F21-L71 HydrophobicContact CZ-CB 4.4Å
22	N	91.3	Very high	92.5	Very high	72 Å²	72	41.5 Å²	41.5	39%	0.385	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-67.1	-24.9	-172.6	-69.6	-10.5	0	0	0	114.2	I20 S45 N66	I20-N22 VanDerWaalsContact C-N 3.27Å; I20-N22 PolarHBondContact O-N 3.23Å; N22-S45 WeakPolarHBondContact O-CB 3.23Å; N22-N66 WeakPolarHBondContact OD1-CB 3.05Å; N22-N66 VanDerWaalsContact OD1-CG 3.26Å
23	D	89.3	Confident	91.8	Very high	117 Å²	117	46.8 Å²	46.8	63%	0.626	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-98.7	-8.3	-174.9	-63	-21.3	0	0	0	112.8	I20 F21	I20-D23 HydrophobicContact CG2-CB 4.24Å; I20-D23 WeakPolarHBondContact CG2-OD2 3.28Å; I20-D23 PolarHBondContact O-N 3.16Å; F21-D23 VanDerWaalsContact C-N 3.28Å; F21-D23 PolarHBondContact O-N 3.2Å
24	A	89.1	Confident	91.2	Very high	16 Å²	16	51.6 Å²	51.6	13%	0.132	32%	0.316	C	S	.	.	S	Bend	trans	-100.8	141.1	-174.8	0	0	0	0	0	112.9	F21 M26 R64	F21-A24 PolarHBondContact O-N 3.05Å; A24-M26 HydrophobicContact CB-CE 3.33Å; A24-M26 HydrophobicContact CB-SD 4.38Å; A24-R64 PolarHBondContact O-NH1 3.1Å
25	G	91.9	Very high	90.5	Very high	6 Å²	6	56.9 Å²	56.9	6%	0.062	34%	0.337	C	S	.	.			trans	-75	144.2	162.8	0	0	0	0	0	110.2	R90 D91	G25-R90 WeakPolarHBondContact O-CA 3.46Å; G25-R90 WeakPolarHBondContact O-CB 3.41Å; G25-D91 PolarHBondContact O-N 3.32Å
26	M	93.3	Very high	90.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.6	-170.3	-56.3	-61.9	170	0	0	111.5	F19 F21 A24 Y42 I43 L71 R90 W102	F19-M26 HydrophobicContact CD2-CE 4.41Å; F19-M26 HydrophobicContact CE2-CE 3.47Å; F19-M26 VanDerWaalsContact CE2-CE 3.47Å; F19-M26 HydrophobicContact CE2-SD 4.33Å; F19-M26 HydrophobicContact CZ-CE 4.16Å; F21-M26 HydrophobicContact CD2-CE 3.63Å; F21-M26 HydrophobicContact CE2-CE 3.93Å; F21-M26 HydrophobicContact CE2-CG 4.28Å; F21-M26 HydrophobicContact CE2-SD 4.36Å; F21-M26 HydrophobicContact CG-CE 4.2Å; F21-M26 WeakPolarHBondContact O-CE 3.15Å; A24-M26 HydrophobicContact CB-CE 3.33Å; A24-M26 HydrophobicContact CB-SD 4.38Å; M26-Y42 CarbonylContact O-C 3.59Å; M26-Y42 WeakPolarHBondContact O-CA 3.34Å; M26-I43 HydrophobicContact CB-CG2 4.03Å; M26-I43 PolarHBondContact N-O 2.94Å; M26-I43 PolarHBondContact O-N 3.19Å; M26-L71 HydrophobicContact CB-CD1 3.77Å; M26-L71 HydrophobicContact CB-CD2 3.89Å; M26-L71 HydrophobicContact CB-CG 4.42Å; M26-L71 HydrophobicContact CG-CD1 4.32Å; M26-R90 HydrophobicContact SD-CB 4.01Å; M26-W102 HydrophobicContact CB-CH2 4.35Å; M26-W102 HydrophobicContact CG-CH2 4.34Å; M26-W102 HydrophobicContact SD-CH2 3.23Å; M26-W102 WeakPolarHBondContact SD-CH2 3.13Å; M26-W102 HydrophobicContact SD-CZ2 4.02Å; M26-W102 HydrophobicContact SD-CZ3 3.72Å
27	D	94.3	Very high	89.8	Confident	6 Å²	6	60.6 Å²	60.6	3%	0.032	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	146.5	-178.2	-64.1	-82.2	0	0	0	111.1	V29 W39 A41 Y42 C88 A89 F99	D27-V29 HydrophobicContact CB-CG1 4.48Å; D27-W39 PolarHBondContact OD1-NE1 3.37Å; D27-A41 CarbonylContact C-O 3.44Å; D27-A41 VanDerWaalsContact CA-O 3.26Å; D27-A41 WeakPolarHBondContact CA-O 3.4Å; D27-Y42 WeakPolarHBondContact OD1-CB 3.3Å; D27-Y42 WeakPolarHBondContact OD1-CD2 3.44Å; D27-C88 WeakPolarHBondContact O-CA 3.23Å; D27-A89 WeakPolarHBondContact CA-O 2.98Å; D27-A89 HydrophobicContact CB-CB 4.33Å; D27-A89 PolarHBondContact N-O 3.03Å; D27-A89 PolarHBondContact O-N 3Å; D27-F99 HydrophobicContact CB-CD1 4.24Å; D27-F99 HydrophobicContact CB-CE1 4.07Å
28	W	95.9	Very high	90	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.008	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	131.8	152.6	-78.9	93	0	0	0	108.7	L12 C14 V40 A41 L71 F72 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.7Å; L12-W28 HydrophobicContact CB-CZ2 4.02Å; L12-W28 HydrophobicContact CB-CZ3 4.31Å; L12-W28 HydrophobicContact CD1-CH2 4.29Å; L12-W28 HydrophobicContact CD1-CZ3 4.05Å; C14-W28 HydrophobicContact CB-CH2 4.06Å; C14-W28 HydrophobicContact CB-CZ2 4.05Å; W28-V40 HydrophobicContact CB-CB 4.11Å; W28-V40 HydrophobicContact CB-CG1 4.49Å; W28-V40 WeakPolarHBondContact O-CA 3.41Å; W28-V40 VanDerWaalsContact O-CB 3.27Å; W28-V40 WeakPolarHBondContact O-CB 3.48Å; W28-V40 PolarHBondContact O-N 2.96Å; W28-A41 PolarHBondContact N-O 3.28Å; W28-A41 PolarHBondContact O-N 3.02Å; W28-L71 HydrophobicContact CG-CD2 4.44Å; W28-F72 PolarHBondContact NE1-O 2.92Å; W28-L73 HydrophobicContact CB-CD2 4.23Å; W28-L73 HydrophobicContact CD2-CB 4.02Å; W28-L73 HydrophobicContact CD2-CD2 4.14Å; W28-L73 HydrophobicContact CG-CB 4.13Å; W28-L73 HydrophobicContact CG-CD1 4.35Å; W28-L73 HydrophobicContact CG-CD2 3.98Å; W28-L73 HydrophobicContact CG-CG 4.4Å; W28-L73 HydrophobicContact CZ2-CB 4.17Å; W28-Y87 WeakPolarHBondContact CA-O 3.5Å; W28-Y87 VanDerWaalsContact CE3-O 3.24Å; W28-C88 VanDerWaalsContact CH2-SG 3.59Å
29	V	94.7	Very high	90.2	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.024	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	155.7	170	-57.9	0	0	0	0	108.4	D27 L37 E38 Y87 A89 F99	D27-V29 HydrophobicContact CB-CG1 4.48Å; V29-L37 HydrophobicContact CB-CD2 4.47Å; V29-L37 HydrophobicContact CG2-CD2 4.04Å; V29-E38 CarbonylContact C-O 3.45Å; V29-E38 WeakPolarHBondContact CA-O 3.42Å; V29-Y87 PolarHBondContact N-O 3.29Å; V29-Y87 PolarHBondContact O-N 3.49Å; V29-Y87 VanDerWaalsContact O-O 3.14Å; V29-A89 HydrophobicContact CG2-CB 4.49Å; V29-F99 HydrophobicContact CG1-CD1 4.48Å; V29-F99 HydrophobicContact CG1-CD2 4.46Å; V29-F99 HydrophobicContact CG1-CG 4.43Å
30	R	95	Very high	90.6	Very high	10 Å²	10	55.5 Å²	55.5	4%	0.038	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	154.3	176.9	73.8	-178.2	-173.9	-176.5	4.8	111.4	L37 E38 V40 D82 A84 M85 Y86	R30-L37 CarbonylContact O-C 3.51Å; R30-L37 WeakPolarHBondContact O-CA 3.5Å; R30-E38 HydrophobicContact CG-CB 4.05Å; R30-E38 IonicContact CZ-OE2 3.05Å; R30-E38 PolarHBondContact N-O 3.19Å; R30-E38 IonicContact NE-OE2 3.85Å; R30-E38 PolarHBondContact NE-OE2 2.97Å; R30-E38 IonicContact NH2-OE2 2.94Å; R30-E38 PolarHBondContact NH2-OE2 2.93Å; R30-E38 VanDerWaalsContact NH2-OE2 3.16Å; R30-E38 PolarHBondContact O-N 2.94Å; R30-V40 HydrophobicContact CB-CG2 3.89Å; R30-V40 HydrophobicContact CG-CG2 3.64Å; R30-D82 IonicContact NH1-OD1 2.97Å; R30-D82 PolarHBondContact NH1-OD1 3.11Å; R30-A84 HydrophobicContact CB-CB 3.89Å; R30-A84 HydrophobicContact CG-CB 4.11Å; R30-M85 CarbonylContact C-O 3.57Å; R30-M85 WeakPolarHBondContact CA-O 3.46Å; R30-Y86 HydrophobicContact CB-CD1 3.81Å; R30-Y86 HydrophobicContact CB-CD2 4.46Å; R30-Y86 HydrophobicContact CB-CE1 3.84Å; R30-Y86 HydrophobicContact CB-CE2 4.47Å; R30-Y86 HydrophobicContact CB-CG 4.13Å; R30-Y86 WeakPolarHBondContact CD-OH 3.27Å; R30-Y86 HydrophobicContact CG-CE1 4.39Å; R30-Y86 PolarHBondContact NH1-OH 3.43Å
31	Q	93.8	Very high	90.9	Very high	87 Å²	87	49.9 Å²	49.9	41%	0.407	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	111.1	172.5	-171.1	176.4	23.5	0	0	108.5	L37 A84 M85 Y87	Q31-L37 HydrophobicContact CB-CD2 4.3Å; Q31-A84 WeakPolarHBondContact O-CA 3.47Å; Q31-A84 WeakPolarHBondContact O-CB 3.37Å; Q31-M85 PolarHBondContact N-O 2.76Å; Q31-M85 PolarHBondContact O-N 3.33Å; Q31-Y87 HydrophobicContact CB-CE2 4.01Å
32	S	90.4	Very high	91.1	Very high	13 Å²	13	51.2 Å²	51.2	9%	0.091	27%	0.271	C	S	.	.			trans	-82.8	150.9	176	-51.9	0	0	0	0	109.8	E34 K35 E38	S32-E34 PolarHBondContact O-N 2.99Å; S32-E34 VanDerWaalsContact O-N 3.1Å; S32-K35 PolarHBondContact O-N 3.1Å; S32-K35 VanDerWaalsContact O-N 3.09Å; S32-E38 PolarHBondContact OG-OE2 3.01Å
33	P	83	Confident	91.3	Very high	118 Å²	118	47.9 Å²	47.9	77%	0.766	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.5	-178.9	-26.2	34.6	0	0	0	114.3
34	E	83.5	Confident	91.6	Very high	186 Å²	186	42.8 Å²	42.8	87%	0.869	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-3.9	-176.4	-59.3	-179.3	175.1	0	0	113.6	S32	S32-E34 PolarHBondContact O-N 2.99Å; S32-E34 VanDerWaalsContact O-N 3.1Å
35	K	81	Confident	91.7	Very high	121 Å²	121	43.6 Å²	43.6	53%	0.526	23%	0.231	S	C	.	.	S	Bend	trans	-136.1	165.4	-171.5	-61.2	-173.6	-177.5	-176.5	0	112.3	S32 E38	S32-K35 PolarHBondContact O-N 3.1Å; S32-K35 VanDerWaalsContact O-N 3.09Å; K35-E38 WeakPolarHBondContact CD-OE1 3.32Å; K35-E38 IonicContact NZ-OE1 2.92Å; K35-E38 PolarHBondContact NZ-OE1 2.86Å
36	G	84.9	Confident	91.7	Very high	47 Å²	47	46 Å²	46	49%	0.485	26%	0.256	S	S	.	.	S	Bend	trans	-70.6	-167	169.5	0	0	0	0	0	113	E38	G36-E38 PolarHBondContact O-N 3.24Å
37	L	88.4	Confident	91.8	Very high	119 Å²	119	48.6 Å²	48.6	62%	0.623	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	126.9	169.7	-81.9	157.9	0	0	0	110.3	V29 R30 Q31 Y87	V29-L37 HydrophobicContact CB-CD2 4.47Å; V29-L37 HydrophobicContact CG2-CD2 4.04Å; R30-L37 CarbonylContact O-C 3.51Å; R30-L37 WeakPolarHBondContact O-CA 3.5Å; Q31-L37 HydrophobicContact CB-CD2 4.3Å; L37-Y87 HydrophobicContact CD2-CD2 4.48Å
38	E	92.1	Very high	91.8	Very high	41 Å²	41	53.3 Å²	53.3	19%	0.192	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131	176.2	-62.2	-176.6	133.4	0	0	109	V29 R30 S32 K35 G36	V29-E38 CarbonylContact C-O 3.45Å; V29-E38 WeakPolarHBondContact CA-O 3.42Å; R30-E38 HydrophobicContact CG-CB 4.05Å; R30-E38 IonicContact CZ-OE2 3.05Å; R30-E38 PolarHBondContact N-O 3.19Å; R30-E38 IonicContact NE-OE2 3.85Å; R30-E38 PolarHBondContact NE-OE2 2.97Å; R30-E38 IonicContact NH2-OE2 2.94Å; R30-E38 PolarHBondContact NH2-OE2 2.93Å; R30-E38 VanDerWaalsContact NH2-OE2 3.16Å; R30-E38 PolarHBondContact O-N 2.94Å; S32-E38 PolarHBondContact OG-OE2 3.01Å; K35-E38 WeakPolarHBondContact CD-OE1 3.32Å; K35-E38 IonicContact NZ-OE1 2.92Å; K35-E38 PolarHBondContact NZ-OE1 2.86Å; G36-E38 PolarHBondContact O-N 3.24Å
39	W	93.6	Very high	91.8	Very high	79 Å²	79	55.7 Å²	55.7	30%	0.299	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	139.5	171.3	177.2	86.2	0	0	0	110.9	D27 Y52 A53 F99	D27-W39 PolarHBondContact OD1-NE1 3.37Å; W39-Y52 VanDerWaalsContact CZ3-C 3.45Å; W39-A53 HydrophobicContact CE3-CB 3.88Å; W39-A53 HydrophobicContact CZ3-CB 3.93Å; W39-A53 WeakPolarHBondContact O-CB 3.36Å; W39-F99 AromaticContact CD1-CZ 3.69Å; W39-F99 HydrophobicContact CG-CZ 4.46Å
40	V	95.8	Very high	91.9	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.006	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	-54.2	-173.2	179.7	0	0	0	0	112	W28 R30 A53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.11Å; W28-V40 HydrophobicContact CB-CG1 4.49Å; W28-V40 WeakPolarHBondContact O-CA 3.41Å; W28-V40 VanDerWaalsContact O-CB 3.27Å; W28-V40 WeakPolarHBondContact O-CB 3.48Å; W28-V40 PolarHBondContact O-N 2.96Å; R30-V40 HydrophobicContact CB-CG2 3.89Å; R30-V40 HydrophobicContact CG-CG2 3.64Å; V40-A53 PolarHBondContact O-N 2.9Å; V40-V56 HydrophobicContact CG1-CG1 4.37Å; V40-V56 HydrophobicContact CG1-CG2 4.01Å; V40-V56 WeakPolarHBondContact O-CG2 3.31Å; V40-F60 HydrophobicContact CG1-CD2 3.81Å; V40-F60 HydrophobicContact CG1-CE2 4.24Å; V40-L73 HydrophobicContact CG1-CD2 4.2Å; V40-Y86 HydrophobicContact CG2-CE1 4.32Å
41	A	96.8	Very high	92	Very high	0 Å²	0	65 Å²	65	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	152.3	-176.4	0	0	0	0	0	111.3	D27 W28 Y51 Y52 I62 L73	D27-A41 CarbonylContact C-O 3.44Å; D27-A41 VanDerWaalsContact CA-O 3.26Å; D27-A41 WeakPolarHBondContact CA-O 3.4Å; W28-A41 PolarHBondContact N-O 3.28Å; W28-A41 PolarHBondContact O-N 3.02Å; A41-Y51 CarbonylContact C-O 3.45Å; A41-Y51 VanDerWaalsContact CA-O 3.24Å; A41-Y51 WeakPolarHBondContact CA-O 3.39Å; A41-Y52 HydrophobicContact CB-CD1 3.68Å; A41-Y52 HydrophobicContact CB-CE1 3.99Å; A41-I62 HydrophobicContact CB-CB 4.04Å; A41-I62 HydrophobicContact CB-CD1 4.09Å; A41-I62 HydrophobicContact CB-CG2 4.16Å; A41-L73 HydrophobicContact CB-CD1 4.47Å
42	Y	95.7	Very high	92.2	Very high	30 Å²	30	63.7 Å²	63.7	12%	0.118	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.5	176.6	169.3	-95.5	0	0	0	110.9	M26 D27 T49 I50 Y51	M26-Y42 CarbonylContact O-C 3.59Å; M26-Y42 WeakPolarHBondContact O-CA 3.34Å; D27-Y42 WeakPolarHBondContact OD1-CB 3.3Å; D27-Y42 WeakPolarHBondContact OD1-CD2 3.44Å; Y42-T49 HydrophobicContact CE1-CG2 4.33Å; Y42-I50 VanDerWaalsContact O-CA 3.29Å; Y42-I50 WeakPolarHBondContact O-CA 3.23Å; Y42-I50 WeakPolarHBondContact O-CG2 3.48Å; Y42-Y51 AromaticContact CD1-CD2 3.78Å; Y42-Y51 HydrophobicContact CD1-CD2 3.78Å; Y42-Y51 HydrophobicContact CD1-CE2 4.4Å; Y42-Y51 HydrophobicContact CE1-CD2 4.46Å; Y42-Y51 PolarHBondContact N-O 2.92Å; Y42-Y51 PolarHBondContact O-N 2.89Å
43	I	95.9	Very high	92.4	Very high	3 Å²	3	63.8 Å²	63.8	2%	0.015	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	125.9	168.3	-171.9	161.3	0	0	0	110.8	M26 I50 I62 R64 L71	M26-I43 HydrophobicContact CB-CG2 4.03Å; M26-I43 PolarHBondContact N-O 2.94Å; M26-I43 PolarHBondContact O-N 3.19Å; I43-I50 HydrophobicContact CB-CG1 4.37Å; I43-I50 HydrophobicContact CD1-CD1 3.99Å; I43-I50 HydrophobicContact CD1-CG1 4.14Å; I43-I50 HydrophobicContact CG1-CD1 4.34Å; I43-I50 HydrophobicContact CG1-CG1 3.93Å; I43-I62 HydrophobicContact CB-CD1 3.94Å; I43-I62 HydrophobicContact CB-CG1 4.17Å; I43-I62 HydrophobicContact CB-CG2 4.04Å; I43-I62 HydrophobicContact CG2-CD1 3.54Å; I43-I62 HydrophobicContact CG2-CG1 3.83Å; I43-R64 HydrophobicContact CD1-CG 3.89Å; I43-R64 HydrophobicContact CG1-CG 4.47Å; I43-L71 HydrophobicContact CG2-CD1 3.59Å
44	S	93.9	Very high	93.1	Very high	10 Å²	10	64.9 Å²	64.9	7%	0.07	36%	0.356	C	S	.	.			trans	-64.1	162.8	173.7	53.9	0	0	0	0	113.1	G46 S47 S48 T49 R64	S44-G46 VanDerWaalsContact C-N 3.3Å; S44-G46 PolarHBondContact O-N 2.8Å; S44-S47 PolarHBondContact O-N 2.78Å; S44-S47 PolarHBondContact OG-N 2.92Å; S44-S48 PolarHBondContact OG-N 3.17Å; S44-T49 PolarHBondContact N-O 2.81Å; S44-T49 PolarHBondContact OG-N 3.1Å; S44-T49 PolarHBondContact OG-O 3.47Å; S44-R64 PolarHBondContact O-NH1 2.92Å; S44-R64 VanDerWaalsContact O-NH1 3.14Å
45	S	92.8	Very high	93.6	Very high	33 Å²	33	60 Å²	60	23%	0.231	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-49.3	173.9	46.3	0	0	0	0	113.4	N22 R64	N22-S45 WeakPolarHBondContact O-CB 3.23Å; S45-R64 PolarHBondContact O-NE 3.29Å
46	G	91.8	Very high	94.3	Very high	57 Å²	57	54.2 Å²	54.2	59%	0.588	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	1	179.7	0	0	0	0	0	115.4	S44 S48	S44-G46 VanDerWaalsContact C-N 3.3Å; S44-G46 PolarHBondContact O-N 2.8Å; G46-S48 PolarHBondContact O-N 2.78Å; G46-S48 VanDerWaalsContact O-N 3.1Å
47	S	94.8	Very high	94.8	Very high	53 Å²	53	58.5 Å²	58.5	37%	0.371	32%	0.318	S	S	.	.	S	Bend	trans	58.1	14.6	-174.1	-48.4	0	0	0	0	115.3	S44 R64	S44-S47 PolarHBondContact O-N 2.78Å; S44-S47 PolarHBondContact OG-N 2.92Å; S47-R64 WeakPolarHBondContact OG-CD 3.13Å; S47-R64 WeakPolarHBondContact OG-CG 3.25Å
48	S	94.5	Very high	95.2	Very high	106 Å²	106	56.6 Å²	56.6	74%	0.741	33%	0.328	S	S	*	.	S	Bend	trans	-78.1	-30.6	179.2	52.4	0	0	0	0	112.5	S44 G46	S44-S48 PolarHBondContact OG-N 3.17Å; G46-S48 PolarHBondContact O-N 2.78Å; G46-S48 VanDerWaalsContact O-N 3.1Å
49	T	95.2	Very high	95.5	Very high	52 Å²	52	55.6 Å²	55.6	32%	0.319	32%	0.322	S	S	.	.			trans	-115	126.6	176.8	-55.3	0	0	0	0	109.8	Y42 S44 Y51	Y42-T49 HydrophobicContact CE1-CG2 4.33Å; S44-T49 PolarHBondContact N-O 2.81Å; S44-T49 PolarHBondContact OG-N 3.1Å; S44-T49 PolarHBondContact OG-O 3.47Å; T49-Y51 HydrophobicContact CG2-CD2 3.96Å; T49-Y51 HydrophobicContact CG2-CE1 4.4Å; T49-Y51 HydrophobicContact CG2-CE2 3.22Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.49Å
50	I	96.8	Very high	95.7	Very high	65 Å²	65	52 Å²	52	33%	0.333	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	132.9	177.3	-62.6	176.3	0	0	0	108.7	Y42 I43 Y52 I62	Y42-I50 VanDerWaalsContact O-CA 3.29Å; Y42-I50 WeakPolarHBondContact O-CA 3.23Å; Y42-I50 WeakPolarHBondContact O-CG2 3.48Å; I43-I50 HydrophobicContact CB-CG1 4.37Å; I43-I50 HydrophobicContact CD1-CD1 3.99Å; I43-I50 HydrophobicContact CD1-CG1 4.14Å; I43-I50 HydrophobicContact CG1-CD1 4.34Å; I43-I50 HydrophobicContact CG1-CG1 3.93Å; I50-Y52 HydrophobicContact CG2-CD2 4.16Å; I50-Y52 HydrophobicContact CG2-CE1 4.27Å; I50-Y52 HydrophobicContact CG2-CE2 3.39Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.45Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.49Å; I50-I62 HydrophobicContact CG2-CG2 3.55Å
51	Y	96.8	Very high	95.9	Very high	145 Å²	145	55.6 Å²	55.6	57%	0.569	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	153.2	174.2	-59.6	-68	0	0	0	110.9	A41 Y42 T49	A41-Y51 CarbonylContact C-O 3.45Å; A41-Y51 VanDerWaalsContact CA-O 3.24Å; A41-Y51 WeakPolarHBondContact CA-O 3.39Å; Y42-Y51 AromaticContact CD1-CD2 3.78Å; Y42-Y51 HydrophobicContact CD1-CD2 3.78Å; Y42-Y51 HydrophobicContact CD1-CE2 4.4Å; Y42-Y51 HydrophobicContact CE1-CD2 4.46Å; Y42-Y51 PolarHBondContact N-O 2.92Å; Y42-Y51 PolarHBondContact O-N 2.89Å; T49-Y51 HydrophobicContact CG2-CD2 3.96Å; T49-Y51 HydrophobicContact CG2-CE1 4.4Å; T49-Y51 HydrophobicContact CG2-CE2 3.22Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.49Å
52	Y	97.7	Very high	95.9	Very high	58 Å²	58	55.8 Å²	55.8	23%	0.227	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.1	178.4	-62.4	-78.5	0	0	0	109.7	W39 A41 I50 F60 T61 I62	W39-Y52 VanDerWaalsContact CZ3-C 3.45Å; A41-Y52 HydrophobicContact CB-CD1 3.68Å; A41-Y52 HydrophobicContact CB-CE1 3.99Å; I50-Y52 HydrophobicContact CG2-CD2 4.16Å; I50-Y52 HydrophobicContact CG2-CE1 4.27Å; I50-Y52 HydrophobicContact CG2-CE2 3.39Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.45Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.49Å; Y52-F60 WeakPolarHBondContact CE1-O 3.4Å; Y52-T61 WeakPolarHBondContact OH-CA 3.48Å; Y52-I62 HydrophobicContact CE1-CB 4.33Å; Y52-I62 HydrophobicContact CE1-CG2 3.88Å; Y52-I62 PolarHBondContact OH-N 3.09Å
53	A	96.1	Very high	96	Very high	16 Å²	16	56.4 Å²	56.4	13%	0.132	34%	0.34	C	S	.	.			trans	-64.7	144.2	168.5	0	0	0	0	0	110.1	W39 V40 T55 V56 K57	W39-A53 HydrophobicContact CE3-CB 3.88Å; W39-A53 HydrophobicContact CZ3-CB 3.93Å; W39-A53 WeakPolarHBondContact O-CB 3.36Å; V40-A53 PolarHBondContact O-N 2.9Å; A53-T55 PolarHBondContact O-N 2.7Å; A53-T55 VanDerWaalsContact O-N 3.1Å; A53-V56 HydrophobicContact CB-CG2 4.2Å; A53-V56 WeakPolarHBondContact O-CG2 3.25Å; A53-V56 PolarHBondContact O-N 3.24Å; A53-K57 PolarHBondContact O-N 3.33Å
54	D	96.3	Very high	96.1	Very high	141 Å²	141	57.7 Å²	57.7	75%	0.754	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.8	-177.3	-70.7	-33.1	0	0	0	112.6	V56	D54-V56 VanDerWaalsContact C-N 3.26Å; D54-V56 PolarHBondContact O-N 3.22Å
55	T	93.9	Very high	96.2	Very high	83 Å²	83	59 Å²	59	51%	0.509	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.9	178	55.2	0	0	0	0	113.9	A53 R59	A53-T55 PolarHBondContact O-N 2.7Å; A53-T55 VanDerWaalsContact O-N 3.1Å; T55-R59 PolarHBondContact O-NH2 2.84Å
56	V	96.6	Very high	96.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-7.6	-175.8	-57.2	0	0	0	0	113.5	V40 A53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG1 4.37Å; V40-V56 HydrophobicContact CG1-CG2 4.01Å; V40-V56 WeakPolarHBondContact O-CG2 3.31Å; A53-V56 HydrophobicContact CB-CG2 4.2Å; A53-V56 WeakPolarHBondContact O-CG2 3.25Å; A53-V56 PolarHBondContact O-N 3.24Å; D54-V56 VanDerWaalsContact C-N 3.26Å; D54-V56 PolarHBondContact O-N 3.22Å; V56-G58 PolarHBondContact O-N 2.8Å; V56-R59 WeakPolarHBondContact O-CB 3.48Å; V56-R59 PolarHBondContact O-N 2.9Å; V56-F60 HydrophobicContact CB-CB 4.07Å; V56-F60 HydrophobicContact CB-CD1 4.28Å; V56-F60 HydrophobicContact CB-CD2 3.61Å; V56-F60 HydrophobicContact CB-CE2 4.04Å; V56-F60 HydrophobicContact CB-CG 3.74Å; V56-F60 HydrophobicContact CG1-CD2 3.65Å; V56-F60 HydrophobicContact CG1-CE2 3.56Å; V56-F60 HydrophobicContact CG1-CG 4.22Å; V56-F60 HydrophobicContact CG1-CZ 4.04Å; V56-F60 HydrophobicContact CG2-CB 4.26Å; V56-F60 HydrophobicContact CG2-CD2 4.09Å; V56-F60 HydrophobicContact CG2-CG 4.35Å; V56-F60 PolarHBondContact O-N 3.14Å
57	K	96.1	Very high	96.4	Very high	136 Å²	136	62.8 Å²	62.8	59%	0.591	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	131	-179.2	-166.9	172.9	-174.4	174.5	0	111	A53 R59	A53-K57 PolarHBondContact O-N 3.33Å; K57-R59 VanDerWaalsContact C-N 3.27Å; K57-R59 PolarHBondContact O-N 2.67Å
58	G	96.9	Very high	96.5	Very high	79 Å²	79	66.9 Å²	66.9	81%	0.814	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-4.3	-177	0	0	0	0	0	115.3	V56	V56-G58 PolarHBondContact O-N 2.8Å
59	R	97.9	Very high	96.5	Very high	21 Å²	21	65 Å²	65	8%	0.079	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-36	176.8	-59.5	-170.5	-58.7	115.1	-0	112.4	T55 V56 K57 T76 S77 D82	T55-R59 PolarHBondContact O-NH2 2.84Å; V56-R59 WeakPolarHBondContact O-CB 3.48Å; V56-R59 PolarHBondContact O-N 2.9Å; K57-R59 VanDerWaalsContact C-N 3.27Å; K57-R59 PolarHBondContact O-N 2.67Å; R59-T76 WeakPolarHBondContact CB-O 3.48Å; R59-T76 PolarHBondContact O-N 3.25Å; R59-T76 PolarHBondContact O-OG1 2.81Å; R59-S77 PolarHBondContact NH1-O 2.96Å; R59-D82 IonicContact CZ-OD1 3.24Å; R59-D82 IonicContact CZ-OD2 2.67Å; R59-D82 IonicContact NH1-OD1 3.4Å; R59-D82 IonicContact NH1-OD2 3.19Å; R59-D82 PolarHBondContact NH1-OD2 2.98Å; R59-D82 IonicContact NH2-OD1 3.81Å; R59-D82 PolarHBondContact NH2-OD1 2.87Å; R59-D82 IonicContact NH2-OD2 3.5Å; R59-D82 PolarHBondContact NH2-OD2 2.78Å
60	F	98.2	Very high	96.6	Very high	4 Å²	4	63.5 Å²	63.5	2%	0.018	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	144.7	-177.3	-68.1	13.1	0	0	0	110.3	V40 Y52 V56 L73 Q74 M75 L78 D82 Y86	V40-F60 HydrophobicContact CG1-CD2 3.81Å; V40-F60 HydrophobicContact CG1-CE2 4.24Å; Y52-F60 WeakPolarHBondContact CE1-O 3.4Å; V56-F60 HydrophobicContact CB-CB 4.07Å; V56-F60 HydrophobicContact CB-CD1 4.28Å; V56-F60 HydrophobicContact CB-CD2 3.61Å; V56-F60 HydrophobicContact CB-CE2 4.04Å; V56-F60 HydrophobicContact CB-CG 3.74Å; V56-F60 HydrophobicContact CG1-CD2 3.65Å; V56-F60 HydrophobicContact CG1-CE2 3.56Å; V56-F60 HydrophobicContact CG1-CG 4.22Å; V56-F60 HydrophobicContact CG1-CZ 4.04Å; V56-F60 HydrophobicContact CG2-CB 4.26Å; V56-F60 HydrophobicContact CG2-CD2 4.09Å; V56-F60 HydrophobicContact CG2-CG 4.35Å; V56-F60 PolarHBondContact O-N 3.14Å; F60-L73 HydrophobicContact CB-CD1 4.21Å; F60-L73 HydrophobicContact CD2-CD1 4.49Å; F60-L73 HydrophobicContact CD2-CD2 4.06Å; F60-L73 HydrophobicContact CD2-CG 4.44Å; F60-L73 HydrophobicContact CE2-CD2 4.49Å; F60-Q74 CarbonylContact C-O 3.54Å; F60-Q74 VanDerWaalsContact CA-O 3.3Å; F60-Q74 WeakPolarHBondContact CA-O 3.44Å; F60-M75 HydrophobicContact CD1-CB 3.77Å; F60-M75 HydrophobicContact CD1-CG 3.98Å; F60-M75 HydrophobicContact CD2-CG 3.93Å; F60-M75 HydrophobicContact CE1-CB 3.64Å; F60-M75 HydrophobicContact CE1-CG 3.95Å; F60-M75 HydrophobicContact CE2-CB 4.47Å; F60-M75 HydrophobicContact CE2-CG 3.87Å; F60-M75 HydrophobicContact CE2-SD 3.96Å; F60-M75 HydrophobicContact CG-CB 4.29Å; F60-M75 HydrophobicContact CG-CG 4Å; F60-M75 HydrophobicContact CZ-CB 4.01Å; F60-M75 HydrophobicContact CZ-CG 3.89Å; F60-M75 HydrophobicContact CZ-SD 4.05Å; F60-L78 HydrophobicContact CE1-CD2 3.95Å; F60-L78 HydrophobicContact CZ-CD2 3.88Å; F60-D82 HydrophobicContact CZ-CB 4.19Å; F60-Y86 HydrophobicContact CE2-CE1 4.2Å
61	T	98.4	Very high	96.6	Very high	75 Å²	75	60.4 Å²	60.4	46%	0.46	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	115.2	178	-54.1	0	0	0	0	109.5	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.48Å; T61-Q74 PolarHBondContact N-O 2.94Å; T61-Q74 PolarHBondContact O-N 2.72Å
62	I	98.3	Very high	96.7	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	141.4	173.3	-169.3	171.8	0	0	0	109.4	A41 I43 I50 Y52 L71 F72 L73	A41-I62 HydrophobicContact CB-CB 4.04Å; A41-I62 HydrophobicContact CB-CD1 4.09Å; A41-I62 HydrophobicContact CB-CG2 4.16Å; I43-I62 HydrophobicContact CB-CD1 3.94Å; I43-I62 HydrophobicContact CB-CG1 4.17Å; I43-I62 HydrophobicContact CB-CG2 4.04Å; I43-I62 HydrophobicContact CG2-CD1 3.54Å; I43-I62 HydrophobicContact CG2-CG1 3.83Å; I50-I62 HydrophobicContact CG2-CG2 3.55Å; Y52-I62 HydrophobicContact CE1-CB 4.33Å; Y52-I62 HydrophobicContact CE1-CG2 3.88Å; Y52-I62 PolarHBondContact OH-N 3.09Å; I62-L71 HydrophobicContact CD1-CD1 4.13Å; I62-L71 HydrophobicContact CG1-CD1 4.07Å; I62-F72 WeakPolarHBondContact CA-O 3.2Å; I62-L73 HydrophobicContact CB-CD1 4.24Å
63	S	98.1	Very high	96.7	Very high	44 Å²	44	52.4 Å²	52.4	31%	0.308	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	162.8	175.6	52.9	0	0	0	0	110.5	F72	S63-F72 PolarHBondContact N-O 3.18Å; S63-F72 PolarHBondContact O-N 3.12Å
64	R	96.9	Very high	96.8	Very high	30 Å²	30	54.5 Å²	54.5	11%	0.113	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	149.8	-177.9	59.4	-173.8	-70.8	158.7	0.5	111.5	F21 A24 I43 S44 S45 S47 N66 T70 L71	F21-R64 HydrophobicContact CE1-CB 4.2Å; F21-R64 HydrophobicContact CZ-CB 4.12Å; F21-R64 PolarHBondContact O-NH2 3.49Å; A24-R64 PolarHBondContact O-NH1 3.1Å; I43-R64 HydrophobicContact CD1-CG 3.89Å; I43-R64 HydrophobicContact CG1-CG 4.47Å; S44-R64 PolarHBondContact O-NH1 2.92Å; S44-R64 VanDerWaalsContact O-NH1 3.14Å; S45-R64 PolarHBondContact O-NE 3.29Å; S47-R64 WeakPolarHBondContact OG-CD 3.13Å; S47-R64 WeakPolarHBondContact OG-CG 3.25Å; R64-N66 VanDerWaalsContact CZ-OD1 3.23Å; R64-N66 PolarHBondContact NE-OD1 3.06Å; R64-N66 PolarHBondContact NH2-OD1 3.42Å; R64-T70 CarbonylContact C-O 3.5Å; R64-T70 WeakPolarHBondContact CA-O 3.35Å; R64-L71 HydrophobicContact CB-CD1 4.18Å
65	D	96.5	Very high	96.9	Very high	36 Å²	36	47.8 Å²	47.8	19%	0.193	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	100.1	172.7	-176	-24	0	0	0	107.9	P67 K68 N69 T70 F72	D65-P67 VanDerWaalsContact OD1-CD 3.25Å; D65-P67 WeakPolarHBondContact OD1-CD 2.99Å; D65-K68 HydrophobicContact CB-CB 4.23Å; D65-K68 CarbonylContact O-C 3.51Å; D65-K68 PolarHBondContact O-N 3.35Å; D65-K68 PolarHBondContact OD1-N 3.04Å; D65-K68 WeakPolarHBondContact OD2-CD 3.47Å; D65-K68 VanDerWaalsContact OD2-CE 3.31Å; D65-K68 WeakPolarHBondContact OD2-CE 3.45Å; D65-K68 WeakPolarHBondContact OD2-CG 3.48Å; D65-K68 IonicContact OD2-NZ 3.16Å; D65-K68 PolarHBondContact OD2-NZ 3.44Å; D65-N69 PolarHBondContact O-N 2.85Å; D65-T70 PolarHBondContact N-O 3.48Å; D65-T70 PolarHBondContact O-N 3.39Å; D65-F72 HydrophobicContact CB-CE2 3.77Å
66	N	94.4	Very high	97	Very high	47 Å²	47	46.1 Å²	46.1	25%	0.251	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-49.1	-176.3	-79.1	-2.1	0	0	0	112.5	F21 N22 R64 K68 N69	F21-N66 WeakPolarHBondContact CE1-OD1 3.37Å; N22-N66 WeakPolarHBondContact OD1-CB 3.05Å; N22-N66 VanDerWaalsContact OD1-CG 3.26Å; R64-N66 VanDerWaalsContact CZ-OD1 3.23Å; R64-N66 PolarHBondContact NE-OD1 3.06Å; R64-N66 PolarHBondContact NH2-OD1 3.42Å; N66-K68 PolarHBondContact O-N 2.97Å; N66-K68 VanDerWaalsContact O-N 3.12Å; N66-N69 PolarHBondContact O-N 3.36Å; N66-N69 PolarHBondContact O-OD1 2.8Å
67	P	94.3	Very high	97	Very high	124 Å²	124	49.3 Å²	49.3	81%	0.805	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-30.5	173.9	-28.3	34.3	0	0	0	114.6	D65	D65-P67 VanDerWaalsContact OD1-CD 3.25Å; D65-P67 WeakPolarHBondContact OD1-CD 2.99Å
68	K	95.6	Very high	97	Very high	138 Å²	138	42.9 Å²	42.9	60%	0.6	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	3.2	178.6	-60.3	-171.4	-165.4	123.9	0	114.3	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.23Å; D65-K68 CarbonylContact O-C 3.51Å; D65-K68 PolarHBondContact O-N 3.35Å; D65-K68 PolarHBondContact OD1-N 3.04Å; D65-K68 WeakPolarHBondContact OD2-CD 3.47Å; D65-K68 VanDerWaalsContact OD2-CE 3.31Å; D65-K68 WeakPolarHBondContact OD2-CE 3.45Å; D65-K68 WeakPolarHBondContact OD2-CG 3.48Å; D65-K68 IonicContact OD2-NZ 3.16Å; D65-K68 PolarHBondContact OD2-NZ 3.44Å; N66-K68 PolarHBondContact O-N 2.97Å; N66-K68 VanDerWaalsContact O-N 3.12Å; K68-T70 PolarHBondContact O-N 3.11Å; K68-T70 VanDerWaalsContact O-N 3.09Å; K68-T70 PolarHBondContact O-OG1 3.06Å
69	N	95.6	Very high	97	Very high	68 Å²	68	45.4 Å²	45.4	36%	0.364	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	40.1	-173.4	-59.5	-39.1	0	0	0	112.9	A16 F21 D65 N66	A16-N69 HydrophobicContact CB-CB 4.43Å; A16-N69 PolarHBondContact N-O 3.23Å; F21-N69 HydrophobicContact CB-CB 4Å; F21-N69 WeakPolarHBondContact CB-OD1 3.35Å; F21-N69 HydrophobicContact CD1-CB 4.42Å; F21-N69 HydrophobicContact CD2-CB 4.43Å; F21-N69 HydrophobicContact CG-CB 4.05Å; D65-N69 PolarHBondContact O-N 2.85Å; N66-N69 PolarHBondContact O-N 3.36Å; N66-N69 PolarHBondContact O-OD1 2.8Å
70	T	96.7	Very high	96.7	Very high	19 Å²	19	47.6 Å²	47.6	12%	0.117	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.6	-171.4	-56.9	0	0	0	0	111.7	C14 R64 D65 K68 F72	C14-T70 CarbonylContact O-C 3.55Å; C14-T70 WeakPolarHBondContact O-CA 3.42Å; R64-T70 CarbonylContact C-O 3.5Å; R64-T70 WeakPolarHBondContact CA-O 3.35Å; D65-T70 PolarHBondContact N-O 3.48Å; D65-T70 PolarHBondContact O-N 3.39Å; K68-T70 PolarHBondContact O-N 3.11Å; K68-T70 VanDerWaalsContact O-N 3.09Å; K68-T70 PolarHBondContact O-OG1 3.06Å; T70-F72 HydrophobicContact CG2-CD1 4.18Å; T70-F72 HydrophobicContact CG2-CD2 4.33Å; T70-F72 HydrophobicContact CG2-CE1 3.56Å; T70-F72 HydrophobicContact CG2-CE2 3.72Å; T70-F72 HydrophobicContact CG2-CZ 3.29Å
71	L	97.5	Very high	96.5	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	142.4	171	-171.3	70.8	0	0	0	110.1	S13 C14 F21 M26 W28 I43 I62 R64 C88 W102	S13-L71 CarbonylContact C-O 3.59Å; S13-L71 VanDerWaalsContact CA-O 3.29Å; S13-L71 WeakPolarHBondContact CA-O 2.76Å; C14-L71 HydrophobicContact CB-CB 4.31Å; C14-L71 PolarHBondContact N-O 3.48Å; C14-L71 PolarHBondContact O-N 2.94Å; F21-L71 HydrophobicContact CE2-CB 4.42Å; F21-L71 HydrophobicContact CZ-CB 4.4Å; M26-L71 HydrophobicContact CB-CD1 3.77Å; M26-L71 HydrophobicContact CB-CD2 3.89Å; M26-L71 HydrophobicContact CB-CG 4.42Å; M26-L71 HydrophobicContact CG-CD1 4.32Å; W28-L71 HydrophobicContact CG-CD2 4.44Å; I43-L71 HydrophobicContact CG2-CD1 3.59Å; I62-L71 HydrophobicContact CD1-CD1 4.13Å; I62-L71 HydrophobicContact CG1-CD1 4.07Å; R64-L71 HydrophobicContact CB-CD1 4.18Å; L71-C88 HydrophobicContact CD2-CB 4.42Å; L71-W102 HydrophobicContact CD2-CZ2 4.44Å
72	F	97.9	Very high	96.3	Very high	35 Å²	35	49.6 Å²	49.6	15%	0.154	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	149.2	179.3	-57.4	-81.9	0	0	0	111.8	K11 L12 W28 I62 S63 D65 T70	K11-F72 VanDerWaalsContact CE-CD1 3.44Å; L12-F72 VanDerWaalsContact O-CA 3.23Å; L12-F72 WeakPolarHBondContact O-CA 3.48Å; W28-F72 PolarHBondContact NE1-O 2.92Å; I62-F72 WeakPolarHBondContact CA-O 3.2Å; S63-F72 PolarHBondContact N-O 3.18Å; S63-F72 PolarHBondContact O-N 3.12Å; D65-F72 HydrophobicContact CB-CE2 3.77Å; T70-F72 HydrophobicContact CG2-CD1 4.18Å; T70-F72 HydrophobicContact CG2-CD2 4.33Å; T70-F72 HydrophobicContact CG2-CE1 3.56Å; T70-F72 HydrophobicContact CG2-CE2 3.72Å; T70-F72 HydrophobicContact CG2-CZ 3.29Å
73	L	98.3	Very high	96.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	110.1	167.9	-169.8	66	0	0	0	108.7	K11 L12 W28 V40 A41 F60 I62 M75 Y86	K11-L73 CarbonylContact C-O 3.58Å; K11-L73 WeakPolarHBondContact CA-O 3.4Å; L12-L73 HydrophobicContact CB-CB 4.27Å; L12-L73 HydrophobicContact CD1-CD2 4.47Å; L12-L73 PolarHBondContact N-O 2.75Å; L12-L73 PolarHBondContact O-N 3.33Å; W28-L73 HydrophobicContact CB-CD2 4.23Å; W28-L73 HydrophobicContact CD2-CB 4.02Å; W28-L73 HydrophobicContact CD2-CD2 4.14Å; W28-L73 HydrophobicContact CG-CB 4.13Å; W28-L73 HydrophobicContact CG-CD1 4.35Å; W28-L73 HydrophobicContact CG-CD2 3.98Å; W28-L73 HydrophobicContact CG-CG 4.4Å; W28-L73 HydrophobicContact CZ2-CB 4.17Å; V40-L73 HydrophobicContact CG1-CD2 4.2Å; A41-L73 HydrophobicContact CB-CD1 4.47Å; F60-L73 HydrophobicContact CB-CD1 4.21Å; F60-L73 HydrophobicContact CD2-CD1 4.49Å; F60-L73 HydrophobicContact CD2-CD2 4.06Å; F60-L73 HydrophobicContact CD2-CG 4.44Å; F60-L73 HydrophobicContact CE2-CD2 4.49Å; I62-L73 HydrophobicContact CB-CD1 4.24Å; L73-M75 HydrophobicContact CD2-CG 3.92Å; L73-M75 HydrophobicContact CD2-SD 3.95Å; L73-M75 HydrophobicContact CG-CG 3.87Å; L73-M75 HydrophobicContact CG-SD 4.48Å; L73-Y86 HydrophobicContact CD2-CD1 4.15Å; L73-Y86 HydrophobicContact CD2-CE1 4.3Å
74	Q	98.3	Very high	96	Very high	61 Å²	61	49.1 Å²	49.1	29%	0.285	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	117.6	168.9	-179	62.4	50.8	0	0	108.1	F60 T61 T76	F60-Q74 CarbonylContact C-O 3.54Å; F60-Q74 VanDerWaalsContact CA-O 3.3Å; F60-Q74 WeakPolarHBondContact CA-O 3.44Å; T61-Q74 PolarHBondContact N-O 2.94Å; T61-Q74 PolarHBondContact O-N 2.72Å; Q74-T76 HydrophobicContact CG-CG2 4.25Å
75	M	97.8	Very high	96	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.2	178.3	-54.8	175.5	-57.1	0	0	107.9	S9 R10 L12 F60 L73 L78 Y86 V108	S9-M75 CarbonylContact C-O 3.51Å; S9-M75 WeakPolarHBondContact CA-O 3.33Å; S9-M75 WeakPolarHBondContact CB-O 3.29Å; R10-M75 HydrophobicContact CB-CE 3.59Å; R10-M75 HydrophobicContact CG-CE 3.73Å; R10-M75 PolarHBondContact N-O 3.09Å; R10-M75 WeakPolarHBondContact O-CB 3.26Å; R10-M75 PolarHBondContact O-N 2.95Å; L12-M75 HydrophobicContact CD1-CE 3.83Å; L12-M75 HydrophobicContact CD1-SD 3.93Å; L12-M75 HydrophobicContact CD2-CE 3.88Å; L12-M75 HydrophobicContact CG-CE 3.61Å; L12-M75 HydrophobicContact CG-SD 4.22Å; F60-M75 HydrophobicContact CD1-CB 3.77Å; F60-M75 HydrophobicContact CD1-CG 3.98Å; F60-M75 HydrophobicContact CD2-CG 3.93Å; F60-M75 HydrophobicContact CE1-CB 3.64Å; F60-M75 HydrophobicContact CE1-CG 3.95Å; F60-M75 HydrophobicContact CE2-CB 4.47Å; F60-M75 HydrophobicContact CE2-CG 3.87Å; F60-M75 HydrophobicContact CE2-SD 3.96Å; F60-M75 HydrophobicContact CG-CB 4.29Å; F60-M75 HydrophobicContact CG-CG 4Å; F60-M75 HydrophobicContact CZ-CB 4.01Å; F60-M75 HydrophobicContact CZ-CG 3.89Å; F60-M75 HydrophobicContact CZ-SD 4.05Å; L73-M75 HydrophobicContact CD2-CG 3.92Å; L73-M75 HydrophobicContact CD2-SD 3.95Å; L73-M75 HydrophobicContact CG-CG 3.87Å; L73-M75 HydrophobicContact CG-SD 4.48Å; M75-L78 HydrophobicContact CB-CD1 4.39Å; M75-L78 HydrophobicContact CB-CD2 3.89Å; M75-L78 HydrophobicContact CB-CG 4.16Å; M75-L78 HydrophobicContact CE-CD1 4.47Å; M75-L78 HydrophobicContact CE-CD2 4.45Å; M75-L78 HydrophobicContact SD-CD2 4.32Å; M75-Y86 HydrophobicContact SD-CE1 4.13Å; M75-V108 HydrophobicContact CE-CG1 4.14Å; M75-V108 HydrophobicContact CE-CG2 3.87Å
76	T	97.5	Very high	96	Very high	48 Å²	48	48.8 Å²	48.8	29%	0.294	26%	0.258	S	S	.	.			trans	-121.1	161.8	174.1	68.6	0	0	0	0	110.1	R59 Q74 L78	R59-T76 WeakPolarHBondContact CB-O 3.48Å; R59-T76 PolarHBondContact O-N 3.25Å; R59-T76 PolarHBondContact O-OG1 2.81Å; Q74-T76 HydrophobicContact CG-CG2 4.25Å; T76-L78 PolarHBondContact O-N 3.06Å
77	S	96.4	Very high	96	Very high	66 Å²	66	48.9 Å²	48.9	46%	0.462	26%	0.255	S	S	.	.	S	Bend	trans	48.3	48.6	-179.9	-57.4	0	0	0	0	111.9	G8 R59	G8-S77 PolarHBondContact O-N 3.42Å; R59-S77 PolarHBondContact NH1-O 2.96Å
78	L	96.4	Very high	96	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	22%	0.218	C	C	.	.			trans	-60.7	142.4	-178.5	-82.2	166.3	0	0	0	111.1	V4 G7 G8 R10 F60 M75 T76 D82 V110	V4-L78 HydrophobicContact CB-CD1 4.16Å; V4-L78 HydrophobicContact CG1-CD1 3.81Å; V4-L78 HydrophobicContact CG2-CD1 4.35Å; G7-L78 PolarHBondContact N-O 2.9Å; G8-L78 PolarHBondContact O-N 2.85Å; G8-L78 VanDerWaalsContact O-N 3.09Å; R10-L78 HydrophobicContact CB-CD1 3.97Å; F60-L78 HydrophobicContact CE1-CD2 3.95Å; F60-L78 HydrophobicContact CZ-CD2 3.88Å; M75-L78 HydrophobicContact CB-CD1 4.39Å; M75-L78 HydrophobicContact CB-CD2 3.89Å; M75-L78 HydrophobicContact CB-CG 4.16Å; M75-L78 HydrophobicContact CE-CD1 4.47Å; M75-L78 HydrophobicContact CE-CD2 4.45Å; M75-L78 HydrophobicContact SD-CD2 4.32Å; T76-L78 PolarHBondContact O-N 3.06Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; L78-V110 HydrophobicContact CB-CG1 4.27Å; L78-V110 HydrophobicContact CB-CG2 3.97Å; L78-V110 HydrophobicContact CD1-CG2 4.42Å; L78-V110 HydrophobicContact CD2-CG2 4.21Å; L78-V110 HydrophobicContact CG-CG2 4.44Å
79	R	95.1	Very high	95.9	Very high	131 Å²	131	36.6 Å²	36.6	49%	0.494	19%	0.189	S	C	.	.			trans	-120.9	163.6	179.3	-52.8	177	179.7	168.8	-1.8	110.3	E81 D82 V110	R79-E81 WeakPolarHBondContact CB-OE2 3.24Å; R79-E81 PolarHBondContact O-N 2.81Å; R79-D82 PolarHBondContact N-OD2 2.87Å; R79-D82 WeakPolarHBondContact O-CB 3.4Å; R79-D82 PolarHBondContact O-N 2.8Å; R79-V110 VanDerWaalsContact O-CB 3.31Å; R79-V110 WeakPolarHBondContact O-CB 3.43Å; R79-V110 WeakPolarHBondContact O-CG1 3.15Å; R79-V110 WeakPolarHBondContact O-CG2 3.2Å
80	S	92.7	Very high	95.6	Very high	68 Å²	68	36.9 Å²	36.9	48%	0.476	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-50.7	-39.8	174.8	27.6	0	0	0	0	112.2	D82 T83	S80-D82 PolarHBondContact O-N 3.26Å; S80-T83 VanDerWaalsContact O-CB 3.28Å; S80-T83 WeakPolarHBondContact O-CB 3.17Å; S80-T83 PolarHBondContact O-N 2.75Å; S80-T83 VanDerWaalsContact O-N 3.1Å; S80-T83 PolarHBondContact O-OG1 2.77Å
81	E	93	Very high	94.7	Very high	118 Å²	118	38.1 Å²	38.1	55%	0.551	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-70.8	-9.9	-178.8	-52.2	73.1	-140.5	0	0	113.5	R79 T83	R79-E81 WeakPolarHBondContact CB-OE2 3.24Å; R79-E81 PolarHBondContact O-N 2.81Å; E81-T83 VanDerWaalsContact C-N 3.28Å
82	D	94.9	Very high	93	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.011	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-86.4	-1	173.7	-59.3	-48.3	0	0	0	112.7	R30 R59 F60 L78 R79 S80 A84 Y86 V110	R30-D82 IonicContact NH1-OD1 2.97Å; R30-D82 PolarHBondContact NH1-OD1 3.11Å; R59-D82 IonicContact CZ-OD1 3.24Å; R59-D82 IonicContact CZ-OD2 2.67Å; R59-D82 IonicContact NH1-OD1 3.4Å; R59-D82 IonicContact NH1-OD2 3.19Å; R59-D82 PolarHBondContact NH1-OD2 2.98Å; R59-D82 IonicContact NH2-OD1 3.81Å; R59-D82 PolarHBondContact NH2-OD1 2.87Å; R59-D82 IonicContact NH2-OD2 3.5Å; R59-D82 PolarHBondContact NH2-OD2 2.78Å; F60-D82 HydrophobicContact CZ-CB 4.19Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; R79-D82 PolarHBondContact N-OD2 2.87Å; R79-D82 WeakPolarHBondContact O-CB 3.4Å; R79-D82 PolarHBondContact O-N 2.8Å; S80-D82 PolarHBondContact O-N 3.26Å; D82-A84 PolarHBondContact O-N 2.87Å; D82-A84 VanDerWaalsContact O-N 3.17Å; D82-Y86 WeakPolarHBondContact O-CE2 3.46Å; D82-Y86 PolarHBondContact O-OH 2.98Å; D82-V110 HydrophobicContact CB-CG2 4.47Å
83	T	95.3	Very high	91.2	Very high	36 Å²	36	43.8 Å²	43.8	22%	0.221	23%	0.229	C	C	.	.			trans	-65.5	110.8	173.2	-64	0	0	0	0	110.4	S80 E81 V108 T109 V110	S80-T83 VanDerWaalsContact O-CB 3.28Å; S80-T83 WeakPolarHBondContact O-CB 3.17Å; S80-T83 PolarHBondContact O-N 2.75Å; S80-T83 VanDerWaalsContact O-N 3.1Å; S80-T83 PolarHBondContact O-OG1 2.77Å; E81-T83 VanDerWaalsContact C-N 3.28Å; T83-V108 VanDerWaalsContact CA-O 3.3Å; T83-V108 WeakPolarHBondContact CA-O 3.38Å; T83-T109 HydrophobicContact CG2-CG2 4.35Å; T83-V110 PolarHBondContact OG1-N 3.27Å; T83-V110 PolarHBondContact OG1-O 2Å
84	A	95.7	Very high	89	Confident	3 Å²	3	53.6 Å²	53.6	3%	0.025	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	167.5	-176.7	0	0	0	0	0	111.2	R30 Q31 D82 Y86 V108	R30-A84 HydrophobicContact CB-CB 3.89Å; R30-A84 HydrophobicContact CG-CB 4.11Å; Q31-A84 WeakPolarHBondContact O-CA 3.47Å; Q31-A84 WeakPolarHBondContact O-CB 3.37Å; D82-A84 PolarHBondContact O-N 2.87Å; D82-A84 VanDerWaalsContact O-N 3.17Å; A84-Y86 HydrophobicContact CB-CD2 4.25Å; A84-Y86 HydrophobicContact CB-CE2 3.75Å; A84-Y86 WeakPolarHBondContact O-CD2 3.3Å; A84-V108 PolarHBondContact N-O 3.05Å; A84-V108 VanDerWaalsContact N-O 3.1Å; A84-V108 PolarHBondContact O-N 3.09Å
85	M	95.6	Very high	86.8	Confident	58 Å²	58	54.3 Å²	54.3	29%	0.286	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	124.7	160.6	-169.1	70.5	72	0	0	109	R30 Q31 Y87 T106 T107	R30-M85 CarbonylContact C-O 3.57Å; R30-M85 WeakPolarHBondContact CA-O 3.46Å; Q31-M85 PolarHBondContact N-O 2.76Å; Q31-M85 PolarHBondContact O-N 3.33Å; M85-Y87 HydrophobicContact CB-CE2 3.75Å; M85-Y87 HydrophobicContact CG-CD2 4.32Å; M85-Y87 HydrophobicContact CG-CE1 3.88Å; M85-Y87 HydrophobicContact CG-CE2 3.5Å; M85-Y87 VanDerWaalsContact CG-CE2 3.5Å; M85-Y87 VanDerWaalsContact CG-OH 3.23Å; M85-Y87 WeakPolarHBondContact CG-OH 3.17Å; M85-T106 PolarHBondContact SD-N 3.14Å; M85-T106 VanDerWaalsContact SD-N 3.44Å; M85-T107 WeakPolarHBondContact CE-OG1 3.29Å; M85-T107 PolarHBondContact SD-N 3.49Å; M85-T107 PolarHBondContact SD-OG1 3.16Å; M85-T107 VanDerWaalsContact SD-OG1 3.37Å
86	Y	96.3	Very high	84.7	Confident	1 Å²	1	58.2 Å²	58.2	0%	0.004	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.7	-178.9	-73.3	-101.4	0	0	0	110.9	L12 R30 V40 F60 L73 M75 D82 A84 G105 T106 V108	L12-Y86 HydrophobicContact CD1-CD1 4.12Å; L12-Y86 HydrophobicContact CD1-CD2 4.31Å; L12-Y86 HydrophobicContact CD1-CG 3.77Å; R30-Y86 HydrophobicContact CB-CD1 3.81Å; R30-Y86 HydrophobicContact CB-CD2 4.46Å; R30-Y86 HydrophobicContact CB-CE1 3.84Å; R30-Y86 HydrophobicContact CB-CE2 4.47Å; R30-Y86 HydrophobicContact CB-CG 4.13Å; R30-Y86 WeakPolarHBondContact CD-OH 3.27Å; R30-Y86 HydrophobicContact CG-CE1 4.39Å; R30-Y86 PolarHBondContact NH1-OH 3.43Å; V40-Y86 HydrophobicContact CG2-CE1 4.32Å; F60-Y86 HydrophobicContact CE2-CE1 4.2Å; L73-Y86 HydrophobicContact CD2-CD1 4.15Å; L73-Y86 HydrophobicContact CD2-CE1 4.3Å; M75-Y86 HydrophobicContact SD-CE1 4.13Å; D82-Y86 WeakPolarHBondContact O-CE2 3.46Å; D82-Y86 PolarHBondContact O-OH 2.98Å; A84-Y86 HydrophobicContact CB-CD2 4.25Å; A84-Y86 HydrophobicContact CB-CE2 3.75Å; A84-Y86 WeakPolarHBondContact O-CD2 3.3Å; Y86-G105 CarbonylContact O-C 3.6Å; Y86-G105 WeakPolarHBondContact O-CA 3.43Å; Y86-T106 PolarHBondContact N-O 2.84Å; Y86-T106 PolarHBondContact O-N 2.83Å; Y86-V108 HydrophobicContact CD2-CB 3.92Å; Y86-V108 HydrophobicContact CD2-CG2 3.61Å; Y86-V108 HydrophobicContact CE2-CB 3.74Å; Y86-V108 HydrophobicContact CE2-CG2 3.86Å; Y86-V108 HydrophobicContact CG-CG2 4.47Å
87	Y	95.4	Very high	82.9	Confident	48 Å²	48	66.1 Å²	66.1	19%	0.188	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	155.2	-177.9	-53	-93.8	0	0	0	111.2	W28 V29 Q31 L37 M85 V101	W28-Y87 WeakPolarHBondContact CA-O 3.5Å; W28-Y87 VanDerWaalsContact CE3-O 3.24Å; V29-Y87 PolarHBondContact N-O 3.29Å; V29-Y87 PolarHBondContact O-N 3.49Å; V29-Y87 VanDerWaalsContact O-O 3.14Å; Q31-Y87 HydrophobicContact CB-CE2 4.01Å; L37-Y87 HydrophobicContact CD2-CD2 4.48Å; M85-Y87 HydrophobicContact CB-CE2 3.75Å; M85-Y87 HydrophobicContact CG-CD2 4.32Å; M85-Y87 HydrophobicContact CG-CE1 3.88Å; M85-Y87 HydrophobicContact CG-CE2 3.5Å; M85-Y87 VanDerWaalsContact CG-CE2 3.5Å; M85-Y87 VanDerWaalsContact CG-OH 3.23Å; M85-Y87 WeakPolarHBondContact CG-OH 3.17Å; Y87-V101 HydrophobicContact CD1-CG1 4.14Å; Y87-V101 HydrophobicContact CG-CG1 4.38Å
88	C	95.1	Very high	81.5	Confident	4 Å²	4	67.7 Å²	67.7	3%	0.027	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.1	175.8	-27.3	0	0	0	0	107.4	C14 D27 W28 L71 V101 W102	C14-C88 HydrophobicContact CB-CB 3.82Å; C14-C88 WeakPolarHBondContact CB-SG 3.43Å; C14-C88 WeakPolarHBondContact SG-CB 3.38Å; C14-C88 CovalentContact SG-SG 2Å; C14-C88 PolarHBondContact SG-SG 3.49Å; D27-C88 WeakPolarHBondContact O-CA 3.23Å; W28-C88 VanDerWaalsContact CH2-SG 3.59Å; L71-C88 HydrophobicContact CD2-CB 4.42Å; C88-V101 WeakPolarHBondContact O-CA 3.34Å; C88-W102 HydrophobicContact CB-CD2 4.33Å; C88-W102 HydrophobicContact CB-CH2 4.03Å; C88-W102 HydrophobicContact CB-CZ2 3.28Å; C88-W102 PolarHBondContact O-N 2.75Å
89	A	92.9	Very high	80.5	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	158.2	-179.7	0	0	0	0	0	111.3	D27 V29 F99 D100 V101 W102	D27-A89 WeakPolarHBondContact CA-O 2.98Å; D27-A89 HydrophobicContact CB-CB 4.33Å; D27-A89 PolarHBondContact N-O 3.03Å; D27-A89 PolarHBondContact O-N 3Å; V29-A89 HydrophobicContact CG2-CB 4.49Å; A89-F99 HydrophobicContact CB-CB 3.8Å; A89-F99 HydrophobicContact CB-CD1 4.09Å; A89-F99 HydrophobicContact CB-CG 4.26Å; A89-D100 CarbonylContact C-O 3.45Å; A89-D100 VanDerWaalsContact CA-O 3.25Å; A89-D100 WeakPolarHBondContact CA-O 3.37Å; A89-V101 HydrophobicContact CB-CG2 4.09Å; A89-W102 WeakPolarHBondContact O-CH2 2.77Å; A89-W102 WeakPolarHBondContact O-CZ3 3.23Å
90	R	89.4	Confident	80.1	Confident	74 Å²	74	67.8 Å²	67.8	28%	0.279	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	147.2	177.3	47.6	-174.9	-175.4	157.5	3.4	106.5	G25 M26 A92 D100 W102	G25-R90 WeakPolarHBondContact O-CA 3.46Å; G25-R90 WeakPolarHBondContact O-CB 3.41Å; M26-R90 HydrophobicContact SD-CB 4.01Å; R90-A92 PolarHBondContact O-N 2.98Å; R90-A92 VanDerWaalsContact O-N 3.12Å; R90-D100 HydrophobicContact CG-CB 3.8Å; R90-D100 IonicContact CZ-OD2 2.75Å; R90-D100 PolarHBondContact N-O 2.78Å; R90-D100 IonicContact NE-OD2 2.75Å; R90-D100 PolarHBondContact NE-OD2 2.9Å; R90-D100 IonicContact NH2-OD2 2.77Å; R90-D100 PolarHBondContact NH2-OD2 3.42Å; R90-D100 PolarHBondContact O-N 2.87Å; R90-D100 VanDerWaalsContact O-N 3.11Å; R90-W102 HydrophobicContact CB-CE3 4.24Å; R90-W102 HydrophobicContact CB-CH2 4.34Å; R90-W102 HydrophobicContact CB-CZ3 3.47Å; R90-W102 VanDerWaalsContact CB-CZ3 3.47Å; R90-W102 HydrophobicContact CG-CE3 4.01Å; R90-W102 HydrophobicContact CG-CZ3 3.74Å
91	D	78.1	Confident	79.8	Confident	46 Å²	46	67.6 Å²	67.6	25%	0.246	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	111.9	163.4	-163.2	-9	0	0	0	108.2	G25 N93	G25-D91 PolarHBondContact O-N 3.32Å; D91-N93 PolarHBondContact OD1-N 2.99Å
92	A	61.8	Low	79.5	Confident	46 Å²	46	64.4 Å²	64.4	38%	0.38	33%	0.326	S	S	.	.	S	Bend	trans	-76.1	-28.8	-178.8	0	0	0	0	0	111.5	R90 N98	R90-A92 PolarHBondContact O-N 2.98Å; R90-A92 VanDerWaalsContact O-N 3.12Å; A92-N98 VanDerWaalsContact CB-O 3.25Å; A92-N98 WeakPolarHBondContact CB-O 3.43Å; A92-N98 PolarHBondContact N-O 3.3Å
93	N	58.8	Low	78.8	Confident	108 Å²	108	65 Å²	65	58%	0.578	33%	0.334	S	S	*	.	S	Bend	trans	-158.5	128.7	178.1	-70.3	-61.4	0	0	0	110.2	D91 G95 D96	D91-N93 PolarHBondContact OD1-N 2.99Å; N93-G95 PolarHBondContact O-N 2.82Å; N93-D96 HydrophobicContact CB-CB 4.34Å; N93-D96 PolarHBondContact O-N 3.23Å
94	Y	53.7	Low	78.4	Confident	205 Å²	205	68.4 Å²	68.4	80%	0.804	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	98.9	175.2	-75.6	-87.8	0	0	0	112.2
95	G	51.2	Low	78.1	Confident	77 Å²	77	69.6 Å²	69.6	79%	0.794	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.1	0.8	175.6	0	0	0	0	0	116.7	N93	N93-G95 PolarHBondContact O-N 2.82Å
96	D	54.2	Low	78.1	Confident	81 Å²	81	68.4 Å²	68.4	43%	0.433	37%	0.373	S	S	.	.			trans	-108.1	135.4	175.2	-156.4	15	0	0	0	111	N93 N98	N93-D96 HydrophobicContact CB-CB 4.34Å; N93-D96 PolarHBondContact O-N 3.23Å; D96-N98 PolarHBondContact O-N 3.1Å; D96-N98 PolarHBondContact OD2-ND2 3.45Å
97	W	59.5	Low	78	Confident	214 Å²	214	71.2 Å²	71.2	81%	0.811	39%	0.391	S	S	*	.			trans	-75.4	20.3	-178.6	-64.2	98.3	0	0	0	113.3	F99	W97-F99 HydrophobicContact CE3-CE2 4.42Å; W97-F99 HydrophobicContact CE3-CZ 4.32Å; W97-F99 PolarHBondContact O-N 2.83Å
98	N	67.4	Low	78	Confident	99 Å²	99	69 Å²	69	53%	0.529	38%	0.382	S	S	.	.			trans	-85.3	96.6	178.9	-87.9	-39.4	0	0	0	109.8	A92 D96	A92-N98 VanDerWaalsContact CB-O 3.25Å; A92-N98 WeakPolarHBondContact CB-O 3.43Å; A92-N98 PolarHBondContact N-O 3.3Å; D96-N98 PolarHBondContact O-N 3.1Å; D96-N98 PolarHBondContact OD2-ND2 3.45Å
99	F	75.1	Confident	77.9	Confident	72 Å²	72	71.3 Å²	71.3	32%	0.316	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	117.1	172.4	-68.2	-62.8	0	0	0	110.5	D27 V29 W39 A89 W97 V101	D27-F99 HydrophobicContact CB-CD1 4.24Å; D27-F99 HydrophobicContact CB-CE1 4.07Å; V29-F99 HydrophobicContact CG1-CD1 4.48Å; V29-F99 HydrophobicContact CG1-CD2 4.46Å; V29-F99 HydrophobicContact CG1-CG 4.43Å; W39-F99 AromaticContact CD1-CZ 3.69Å; W39-F99 HydrophobicContact CG-CZ 4.46Å; A89-F99 HydrophobicContact CB-CB 3.8Å; A89-F99 HydrophobicContact CB-CD1 4.09Å; A89-F99 HydrophobicContact CB-CG 4.26Å; W97-F99 HydrophobicContact CE3-CE2 4.42Å; W97-F99 HydrophobicContact CE3-CZ 4.32Å; W97-F99 PolarHBondContact O-N 2.83Å; F99-V101 PolarHBondContact O-N 3.29Å
100	D	85.8	Confident	77.9	Confident	63 Å²	63	71.7 Å²	71.7	34%	0.337	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	100.2	168.1	178.7	20.5	0	0	0	109.1	A89 R90 W102	A89-D100 CarbonylContact C-O 3.45Å; A89-D100 VanDerWaalsContact CA-O 3.25Å; A89-D100 WeakPolarHBondContact CA-O 3.37Å; R90-D100 HydrophobicContact CG-CB 3.8Å; R90-D100 IonicContact CZ-OD2 2.75Å; R90-D100 PolarHBondContact N-O 2.78Å; R90-D100 IonicContact NE-OD2 2.75Å; R90-D100 PolarHBondContact NE-OD2 2.9Å; R90-D100 IonicContact NH2-OD2 2.77Å; R90-D100 PolarHBondContact NH2-OD2 3.42Å; R90-D100 PolarHBondContact O-N 2.87Å; R90-D100 VanDerWaalsContact O-N 3.11Å; D100-W102 VanDerWaalsContact O-CE3 3.29Å
101	V	86.4	Confident	77.9	Confident	65 Å²	65	69.3 Å²	69.3	39%	0.394	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	114	179.6	179.8	0	0	0	0	109.6	Y87 C88 A89 F99	Y87-V101 HydrophobicContact CD1-CG1 4.14Å; Y87-V101 HydrophobicContact CG-CG1 4.38Å; C88-V101 WeakPolarHBondContact O-CA 3.34Å; A89-V101 HydrophobicContact CB-CG2 4.09Å; F99-V101 PolarHBondContact O-N 3.29Å
102	W	86.5	Confident	78.1	Confident	50 Å²	50	71.7 Å²	71.7	19%	0.189	41%	0.414	C	S	.	.			trans	-106.8	-11.9	177.8	69.8	85.9	0	0	0	113.9	F19 M26 L71 C88 A89 R90 D100	F19-W102 HydrophobicContact CE1-CB 4.19Å; F19-W102 AromaticContact CE1-CD2 3.83Å; F19-W102 HydrophobicContact CE1-CD2 3.83Å; F19-W102 AromaticContact CE1-CE3 3.97Å; F19-W102 HydrophobicContact CE1-CE3 3.97Å; F19-W102 AromaticContact CE1-CG 3.84Å; F19-W102 HydrophobicContact CE1-CG 3.84Å; F19-W102 AromaticContact CZ-CD2 3.86Å; F19-W102 HydrophobicContact CZ-CD2 3.86Å; F19-W102 AromaticContact CZ-CE3 3.9Å; F19-W102 HydrophobicContact CZ-CE3 3.9Å; F19-W102 HydrophobicContact CZ-CG 4.29Å; F19-W102 HydrophobicContact CZ-CH2 4.44Å; F19-W102 HydrophobicContact CZ-CZ2 4.42Å; F19-W102 HydrophobicContact CZ-CZ3 4.05Å; M26-W102 HydrophobicContact CB-CH2 4.35Å; M26-W102 HydrophobicContact CG-CH2 4.34Å; M26-W102 HydrophobicContact SD-CH2 3.23Å; M26-W102 WeakPolarHBondContact SD-CH2 3.13Å; M26-W102 HydrophobicContact SD-CZ2 4.02Å; M26-W102 HydrophobicContact SD-CZ3 3.72Å; L71-W102 HydrophobicContact CD2-CZ2 4.44Å; C88-W102 HydrophobicContact CB-CD2 4.33Å; C88-W102 HydrophobicContact CB-CH2 4.03Å; C88-W102 HydrophobicContact CB-CZ2 3.28Å; C88-W102 PolarHBondContact O-N 2.75Å; A89-W102 WeakPolarHBondContact O-CH2 2.77Å; A89-W102 WeakPolarHBondContact O-CZ3 3.23Å; R90-W102 HydrophobicContact CB-CE3 4.24Å; R90-W102 HydrophobicContact CB-CH2 4.34Å; R90-W102 HydrophobicContact CB-CZ3 3.47Å; R90-W102 VanDerWaalsContact CB-CZ3 3.47Å; R90-W102 HydrophobicContact CG-CE3 4.01Å; R90-W102 HydrophobicContact CG-CZ3 3.74Å; D100-W102 VanDerWaalsContact O-CE3 3.29Å
103	G	81.4	Confident	78.7	Confident	16 Å²	16	76.1 Å²	76.1	17%	0.165	43%	0.427	C	S	.	.	S	Bend	trans	-89.5	142.6	179.2	0	0	0	0	0	112.1	G105	G103-G105 PolarHBondContact O-N 2.84Å
104	A	85.7	Confident	78.8	Confident	106 Å²	106	76.2 Å²	76.2	88%	0.876	44%	0.436	S	S	*	.			trans	-65.6	-8	174.7	0	0	0	0	0	114.3
105	G	90.6	Very high	78.9	Confident	28 Å²	28	73.5 Å²	73.5	29%	0.289	46%	0.455	S	S	.	.			trans	85.5	155.7	-174.1	0	0	0	0	0	113	Y86 G103	Y86-G105 CarbonylContact O-C 3.6Å; Y86-G105 WeakPolarHBondContact O-CA 3.43Å; G103-G105 PolarHBondContact O-N 2.84Å
106	T	94.4	Very high	80.3	Confident	33 Å²	33	73.3 Å²	73.3	20%	0.202	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	127.2	171.9	-173.3	0	0	0	0	110.9	G1 L12 M85 Y86	G1-T106 WeakPolarHBondContact CA-OG1 3.36Å; G1-T106 PolarHBondContact N-OG1 3.47Å; G1-T106 VanDerWaalsContact N-OG1 3.09Å; L12-T106 HydrophobicContact CD1-CG2 3.92Å; L12-T106 HydrophobicContact CD2-CG2 3.93Å; L12-T106 HydrophobicContact CG-CG2 4.39Å; M85-T106 PolarHBondContact SD-N 3.14Å; M85-T106 VanDerWaalsContact SD-N 3.44Å; Y86-T106 PolarHBondContact N-O 2.84Å; Y86-T106 PolarHBondContact O-N 2.83Å
107	T	94.7	Very high	81.7	Confident	60 Å²	60	72.9 Å²	72.9	37%	0.368	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	129.5	178.8	-43.1	0	0	0	0	110.3	G1 G2 M85	G1-T107 CarbonylContact C-O 3.59Å; G1-T107 WeakPolarHBondContact CA-O 3.41Å; G2-T107 PolarHBondContact N-O 3.19Å; M85-T107 WeakPolarHBondContact CE-OG1 3.29Å; M85-T107 PolarHBondContact SD-N 3.49Å; M85-T107 PolarHBondContact SD-OG1 3.16Å; M85-T107 VanDerWaalsContact SD-OG1 3.37Å
108	V	94.8	Very high	82.9	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.012	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122.3	166.4	179.3	0	0	0	0	106.6	L12 M75 T83 A84 Y86 V110	L12-V108 HydrophobicContact CD1-CG2 4.03Å; L12-V108 HydrophobicContact CD2-CG2 3.89Å; M75-V108 HydrophobicContact CE-CG1 4.14Å; M75-V108 HydrophobicContact CE-CG2 3.87Å; T83-V108 VanDerWaalsContact CA-O 3.3Å; T83-V108 WeakPolarHBondContact CA-O 3.38Å; A84-V108 PolarHBondContact N-O 3.05Å; A84-V108 VanDerWaalsContact N-O 3.1Å; A84-V108 PolarHBondContact O-N 3.09Å; Y86-V108 HydrophobicContact CD2-CB 3.92Å; Y86-V108 HydrophobicContact CD2-CG2 3.61Å; Y86-V108 HydrophobicContact CE2-CB 3.74Å; Y86-V108 HydrophobicContact CE2-CG2 3.86Å; Y86-V108 HydrophobicContact CG-CG2 4.47Å; V108-V110 HydrophobicContact CG1-CG2 4.26Å
109	T	94.7	Very high	83.9	Confident	53 Å²	53	63.1 Å²	63.1	33%	0.325	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.8	176.5	-53.7	0	0	0	0	108.4	G2 L3 V4 T83	G2-T109 PolarHBondContact O-N 2.81Å; L3-T109 CarbonylContact C-O 3.52Å; L3-T109 WeakPolarHBondContact CA-O 3.03Å; L3-T109 HydrophobicContact CD1-CG2 3.64Å; V4-T109 PolarHBondContact N-O 2.77Å; T83-T109 HydrophobicContact CG2-CG2 4.35Å
110	V	92.8	Very high	84.4	Confident	8 Å²	8	62.5 Å²	62.5	5%	0.048	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	103.2	176.5	-171.2	0	0	0	0	108.5	V4 P6 L78 R79 D82 T83 V108	V4-V110 VanDerWaalsContact O-CA 3.23Å; V4-V110 WeakPolarHBondContact O-CA 3.43Å; P6-V110 HydrophobicContact CB-CG1 4.39Å; P6-V110 HydrophobicContact CG-CG1 4.13Å; L78-V110 HydrophobicContact CB-CG1 4.27Å; L78-V110 HydrophobicContact CB-CG2 3.97Å; L78-V110 HydrophobicContact CD1-CG2 4.42Å; L78-V110 HydrophobicContact CD2-CG2 4.21Å; L78-V110 HydrophobicContact CG-CG2 4.44Å; R79-V110 VanDerWaalsContact O-CB 3.31Å; R79-V110 WeakPolarHBondContact O-CB 3.43Å; R79-V110 WeakPolarHBondContact O-CG1 3.15Å; R79-V110 WeakPolarHBondContact O-CG2 3.2Å; D82-V110 HydrophobicContact CB-CG2 4.47Å; T83-V110 PolarHBondContact OG1-N 3.27Å; T83-V110 PolarHBondContact OG1-O 2Å; V108-V110 HydrophobicContact CG1-CG2 4.26Å
111	S	89	Confident	84.3	Confident	24 Å²	24	62.5 Å²	62.5	17%	0.168	42%	0.423	C	S	.	.			trans	-139.5	147.5	-177.8	-176.7	0	0	0	0	110.1	V4 Q5 P6 E113	V4-S111 PolarHBondContact O-N 3.02Å; V4-S111 VanDerWaalsContact O-N 3.14Å; Q5-S111 VanDerWaalsContact CD-O 3.32Å; Q5-S111 PolarHBondContact NE2-O 3.12Å; Q5-S111 PolarHBondContact OE1-O 3.01Å; P6-S111 WeakPolarHBondContact CD-O 3.25Å; S111-E113 PolarHBondContact O-N 3.3Å; S111-E113 WeakPolarHBondContact OG-CB 3.31Å; S111-E113 WeakPolarHBondContact OG-CG 3.44Å; S111-E113 PolarHBondContact OG-N 3Å; S111-E113 VanDerWaalsContact OG-N 3.11Å; S111-E113 PolarHBondContact OG-OE2 2.75Å
112	S	82.2	Confident	84.2	Confident	96 Å²	96	62.3 Å²	62.3	67%	0.671	43%	0.425	S	S	*	.	S	Bend	trans	-73.9	-6.6	169.3	55.2	0	0	0	0	112.9	Q5	Q5-S112 VanDerWaalsContact OE1-CA 3.27Å
113	E	73.5	Confident	84	Confident	139 Å²	139	63.2 Å²	63.2	65%	0.65	44%	0.443	S	S	*	.	S	Bend	trans	-67.9	140.4	174.5	-67.7	168.1	158.1	0	0	110.3	L3 Q5 S111	L3-E113 WeakPolarHBondContact CD2-O 3.11Å; Q5-E113 PolarHBondContact NE2-O 3.2Å; S111-E113 PolarHBondContact O-N 3.3Å; S111-E113 WeakPolarHBondContact OG-CB 3.31Å; S111-E113 WeakPolarHBondContact OG-CG 3.44Å; S111-E113 PolarHBondContact OG-N 3Å; S111-E113 VanDerWaalsContact OG-N 3.11Å; S111-E113 PolarHBondContact OG-OE2 2.75Å
114	S	60.7	Low	84.2	Confident	110 Å²	110	67.2 Å²	67.2	77%	0.769	47%	0.466	S	S	*	.			trans	-66.2	141.7	175.3	-46.2	0	0	0	0	110.4
115	A	57.3	Low	84.1	Confident	147 Å²	147	63.6 Å²	63.6	100%	1.215	43%	0.429	S	S	*	.			trans	-67.9	0	171.8	0	0	0	0	0	112.3	L3	L3-A115 HydrophobicContact CD2-CB 3.88Å

Retrieved 115 of 115 residues in 61.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).