X5J5N0_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5N0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 113 aa.

						>X5J5N0_MOUSE|X5J5N0
SGPGLVAPSQSLSITCTVSGFSLTGYGVNWVRQPPGKGLEWLGRIWGDGSTDHNSALKSRLSISKDNSKSQVFLKMNSLQTDDTARYYCARDDGNYFAWFAYWGQGTLVTVSA
					

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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	S	46.9	Very low	71.8	Confident	179 Å²	179	76.1 Å²	76.1	100%	1.252	52%	0.522	S	S	*	.				0	105.5	0	-49.2	0	0	0	0	108.2
2	G	53	Low	73.5	Confident	56 Å²	56	71.5 Å²	71.5	58%	0.577	49%	0.488	S	S	*	.			trans	-74.9	160.5	-178.1	0	0	0	0	0	111.6	G4	G2-G4 PolarHBondContact O-N 3.09Å
3	P	56.6	Low	75.1	Confident	44 Å²	44	70.8 Å²	70.8	29%	0.286	48%	0.484	S	S	.	.			trans	-61.7	112.7	170	14.2	-5.2	0	0	0	107	L12 T107 V109	P3-L12 HydrophobicContact CB-CD1 3.7Å; P3-L12 HydrophobicContact CG-CD1 4.32Å; P3-T107 HydrophobicContact CG-CG2 3.66Å; P3-V109 HydrophobicContact CG-CG2 4.41Å
4	G	67.1	Low	76.5	Confident	54 Å²	54	66 Å²	66	56%	0.557	45%	0.451	S	S	*	.			trans	-61.3	165.3	-176.9	0	0	0	0	0	112	G2 V6	G2-G4 PolarHBondContact O-N 3.09Å; G4-V6 WeakPolarHBondContact O-CG2 3.26Å; G4-V6 PolarHBondContact O-N 3.25Å
5	L	68.5	Low	77.9	Confident	127 Å²	127	66.1 Å²	66.1	67%	0.665	45%	0.448	S	S	*	.			trans	-24.5	117.9	171.4	-162.3	73.5	0	0	0	112.7	T110 S112	L5-T110 HydrophobicContact CD1-CG2 3.83Å; L5-S112 WeakPolarHBondContact CD1-OG 3.44Å
6	V	77.4	Confident	79	Confident	13 Å²	13	62.6 Å²	62.6	8%	0.079	42%	0.424	C	S	.	.	B	Isolated β-bridge	trans	-111.7	135.5	-179.1	-169.8	0	0	0	0	108.9	G4 Q10 L12 L79 T110 V111	G4-V6 WeakPolarHBondContact O-CG2 3.26Å; G4-V6 PolarHBondContact O-N 3.25Å; V6-Q10 HydrophobicContact CG1-CB 3.73Å; V6-L12 HydrophobicContact CG2-CD1 4.3Å; V6-L12 HydrophobicContact CG2-CD2 4.27Å; V6-L79 HydrophobicContact CB-CD1 4Å; V6-L79 HydrophobicContact CG1-CD1 3.46Å; V6-L79 VanDerWaalsContact CG1-CD1 3.46Å; V6-T110 PolarHBondContact N-O 3.34Å; V6-V111 WeakPolarHBondContact O-CA 3.4Å
7	A	80	Confident	79.9	Confident	41 Å²	41	64.5 Å²	64.5	34%	0.339	43%	0.434	S	S	.	.			trans	-76	154.4	176.8	0	0	0	0	0	111	Q10	A7-Q10 HydrophobicContact CB-CG 4.19Å; A7-Q10 WeakPolarHBondContact O-CB 3.35Å; A7-Q10 PolarHBondContact O-N 3.29Å
8	P	80.1	Confident	80.6	Confident	49 Å²	49	61.8 Å²	61.8	32%	0.318	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	154.8	172.5	-23.9	33.9	0	0	0	112	Q10 L79 V111 S112	P8-Q10 PolarHBondContact O-N 3.38Å; P8-L79 WeakPolarHBondContact CA-O 3.35Å; P8-V111 HydrophobicContact CG-CG1 4.29Å; P8-S112 WeakPolarHBondContact CD-O 3.4Å
9	S	82.3	Confident	81.1	Confident	99 Å²	99	64.2 Å²	64.2	69%	0.692	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	-8.1	-177.9	-53.9	0	0	0	0	115.8	L79	S9-L79 PolarHBondContact N-O 2.76Å
10	Q	87.2	Confident	81.5	Confident	104 Å²	104	65.2 Å²	65.2	49%	0.486	45%	0.454	S	S	.	.			trans	-74	164.6	171.1	-64.4	-170.4	-29.4	0	0	111.4	V6 A7 P8 S78 L79	V6-Q10 HydrophobicContact CG1-CB 3.73Å; A7-Q10 HydrophobicContact CB-CG 4.19Å; A7-Q10 WeakPolarHBondContact O-CB 3.35Å; A7-Q10 PolarHBondContact O-N 3.29Å; P8-Q10 PolarHBondContact O-N 3.38Å; Q10-S78 PolarHBondContact O-N 2.84Å; Q10-L79 WeakPolarHBondContact O-CG 3.35Å; Q10-L79 PolarHBondContact O-N 2.79Å
11	S	90.9	Very high	81.8	Confident	71 Å²	71	63.8 Å²	63.8	50%	0.497	44%	0.44	S	S	.	.			trans	-106.2	142.1	172.5	-55.3	0	0	0	0	109.8	M76 N77	S11-M76 CarbonylContact C-O 3.54Å; S11-M76 WeakPolarHBondContact CA-O 3.14Å; S11-N77 PolarHBondContact OG-OD1 2.89Å
12	L	92	Very high	83.9	Confident	21 Å²	21	58.1 Å²	58.1	11%	0.11	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.6	175.7	176.5	65.5	0	0	0	109.5	P3 V6 I14 K75 M76 L79 V109	P3-L12 HydrophobicContact CB-CD1 3.7Å; P3-L12 HydrophobicContact CG-CD1 4.32Å; V6-L12 HydrophobicContact CG2-CD1 4.3Å; V6-L12 HydrophobicContact CG2-CD2 4.27Å; L12-I14 HydrophobicContact CD2-CD1 4.4Å; L12-I14 HydrophobicContact CD2-CG1 4.02Å; L12-I14 HydrophobicContact CG-CG1 4.21Å; L12-K75 CarbonylContact O-C 3.55Å; L12-K75 WeakPolarHBondContact O-CA 3.42Å; L12-M76 HydrophobicContact CD2-CE 3.99Å; L12-M76 PolarHBondContact N-O 2.86Å; L12-M76 PolarHBondContact O-N 2.73Å; L12-L79 HydrophobicContact CB-CD1 3.73Å; L12-V109 HydrophobicContact CD2-CB 4.25Å; L12-V109 HydrophobicContact CD2-CG1 3.54Å; L12-V109 HydrophobicContact CD2-CG2 3.63Å
13	S	94.6	Very high	85.8	Confident	62 Å²	62	55.6 Å²	55.6	43%	0.434	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.8	167.4	-169.8	0	0	0	0	109.2	L74	S13-L74 CarbonylContact C-O 3.38Å; S13-L74 WeakPolarHBondContact CA-O 3.22Å
14	I	95.1	Very high	87.5	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.021	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.7	173.9	-53.3	177.7	0	0	0	108.1	L12 W30 F73 L74 M76 Y87 V109	L12-I14 HydrophobicContact CD2-CD1 4.4Å; L12-I14 HydrophobicContact CD2-CG1 4.02Å; L12-I14 HydrophobicContact CG-CG1 4.21Å; I14-W30 HydrophobicContact CB-CH2 4.14Å; I14-W30 HydrophobicContact CB-CZ3 4.24Å; I14-W30 HydrophobicContact CG2-CH2 3.8Å; I14-W30 HydrophobicContact CG2-CZ3 3.79Å; I14-F73 CarbonylContact O-C 3.52Å; I14-F73 WeakPolarHBondContact O-CA 3.43Å; I14-L74 HydrophobicContact CB-CB 4.46Å; I14-L74 HydrophobicContact CD1-CD2 4.45Å; I14-L74 PolarHBondContact N-O 2.81Å; I14-L74 PolarHBondContact O-N 2.89Å; I14-M76 HydrophobicContact CD1-CE 3.63Å; I14-M76 HydrophobicContact CG1-CE 4.18Å; I14-Y87 HydrophobicContact CD1-CD1 3.75Å; I14-Y87 HydrophobicContact CD1-CD2 3.86Å; I14-Y87 HydrophobicContact CD1-CE1 4.4Å; I14-Y87 HydrophobicContact CD1-CG 3.45Å; I14-Y87 VanDerWaalsContact CD1-CG 3.45Å; I14-V109 HydrophobicContact CD1-CG2 3.78Å; I14-V109 HydrophobicContact CG1-CG2 4.41Å
15	T	96.4	Very high	88.5	Confident	67 Å²	67	57.8 Å²	57.8	41%	0.411	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	131.4	176.4	-55.1	0	0	0	0	110.3	Q71 F73	T15-Q71 HydrophobicContact CG2-CB 4.19Å; T15-Q71 HydrophobicContact CG2-CG 3.89Å; T15-F73 HydrophobicContact CG2-CD1 4.01Å; T15-F73 HydrophobicContact CG2-CE1 3.66Å; T15-F73 HydrophobicContact CG2-CZ 4.5Å; T15-F73 WeakPolarHBondContact OG1-CD1 3.49Å; T15-F73 WeakPolarHBondContact OG1-CE1 3.39Å
16	C	95.4	Very high	89.5	Confident	10 Å²	10	56.5 Å²	56.5	7%	0.068	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	114.2	166.3	174.6	0	0	0	0	109	W30 Q71 V72 C89	C16-W30 HydrophobicContact CB-CH2 3.61Å; C16-W30 HydrophobicContact CB-CZ2 3.81Å; C16-W30 HydrophobicContact CB-CZ3 4.48Å; C16-Q71 CarbonylContact O-C 3.52Å; C16-Q71 WeakPolarHBondContact O-CA 3.27Å; C16-V72 PolarHBondContact N-O 3.16Å; C16-V72 PolarHBondContact O-N 3.09Å; C16-C89 HydrophobicContact CB-CB 3.45Å; C16-C89 VanDerWaalsContact CB-CB 3.45Å; C16-C89 WeakPolarHBondContact CB-SG 3.27Å; C16-C89 WeakPolarHBondContact SG-CB 3.47Å; C16-C89 CovalentContact SG-SG 2.02Å; C16-C89 PolarHBondContact SG-SG 2.79Å
17	T	95.5	Very high	90.2	Very high	96 Å²	96	56.1 Å²	56.1	59%	0.589	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	121.6	170.1	-53.6	0	0	0	0	108.3	S70 Q71	T17-S70 WeakPolarHBondContact CA-O 3.5Å; T17-Q71 HydrophobicContact CG2-CG 4.38Å; T17-Q71 PolarHBondContact OG1-NE2 3.04Å
18	V	91.9	Very high	90.8	Very high	16 Å²	16	54.2 Å²	54.2	10%	0.097	36%	0.357	C	S	.	.			trans	-97.2	150.8	179.2	-56	0	0	0	0	110.8	F21 L23 V28 S70	V18-F21 HydrophobicContact CB-CE1 3.77Å; V18-F21 HydrophobicContact CB-CE2 4.21Å; V18-F21 HydrophobicContact CB-CZ 3.57Å; V18-F21 HydrophobicContact CG1-CE1 4.15Å; V18-F21 HydrophobicContact CG1-CE2 4.32Å; V18-F21 HydrophobicContact CG1-CZ 3.58Å; V18-F21 HydrophobicContact CG2-CE1 4.37Å; V18-F21 HydrophobicContact CG2-CE2 4.07Å; V18-F21 HydrophobicContact CG2-CZ 3.95Å; V18-L23 HydrophobicContact CG1-CD2 4.24Å; V18-L23 HydrophobicContact CG2-CD1 4.13Å; V18-L23 HydrophobicContact CG2-CD2 3.59Å; V18-L23 HydrophobicContact CG2-CG 3.69Å; V18-V28 HydrophobicContact CG1-CG2 4.21Å; V18-S70 WeakPolarHBondContact CG2-O 3.42Å; V18-S70 PolarHBondContact N-O 2.87Å; V18-S70 WeakPolarHBondContact O-CB 3.26Å
19	S	90.9	Very high	91.5	Very high	107 Å²	107	52.1 Å²	52.1	75%	0.748	34%	0.343	S	S	*	.			trans	-140.9	156.6	173.2	62.1	0	0	0	0	109.7	F21	S19-F21 VanDerWaalsContact C-N 3.31Å; S19-F21 WeakPolarHBondContact O-CD1 3.24Å; S19-F21 PolarHBondContact O-N 3.18Å
20	G	88	Confident	92.2	Very high	83 Å²	83	47.5 Å²	47.5	86%	0.856	31%	0.31	S	S	*	.	S	Bend	trans	80.9	0.7	179.6	0	0	0	0	0	115.7
21	F	87.9	Confident	92.6	Very high	36 Å²	36	42.7 Å²	42.7	16%	0.158	29%	0.288	C	S	.	.	S	Bend	trans	-155.2	162.3	171.3	66	-86.6	0	0	0	111.9	V18 S19 L23 Y26 V28 R91	V18-F21 HydrophobicContact CB-CE1 3.77Å; V18-F21 HydrophobicContact CB-CE2 4.21Å; V18-F21 HydrophobicContact CB-CZ 3.57Å; V18-F21 HydrophobicContact CG1-CE1 4.15Å; V18-F21 HydrophobicContact CG1-CE2 4.32Å; V18-F21 HydrophobicContact CG1-CZ 3.58Å; V18-F21 HydrophobicContact CG2-CE1 4.37Å; V18-F21 HydrophobicContact CG2-CE2 4.07Å; V18-F21 HydrophobicContact CG2-CZ 3.95Å; S19-F21 VanDerWaalsContact C-N 3.31Å; S19-F21 WeakPolarHBondContact O-CD1 3.24Å; S19-F21 PolarHBondContact O-N 3.18Å; F21-L23 HydrophobicContact CE2-CD2 3.93Å; F21-Y26 HydrophobicContact CB-CD2 3.87Å; F21-Y26 HydrophobicContact CB-CE2 4.21Å; F21-Y26 HydrophobicContact CB-CG 4.43Å; F21-Y26 HydrophobicContact CD2-CD2 4.1Å; F21-Y26 HydrophobicContact CD2-CG 4.08Å; F21-Y26 HydrophobicContact CG-CD2 4.4Å; F21-V28 HydrophobicContact CE2-CG2 4.06Å; F21-V28 HydrophobicContact CZ-CG2 4.04Å; F21-R91 HydrophobicContact CD1-CG 4.19Å; F21-R91 HydrophobicContact CD2-CG 4.27Å; F21-R91 HydrophobicContact CE1-CB 4.05Å; F21-R91 HydrophobicContact CE1-CG 3.88Å; F21-R91 HydrophobicContact CE2-CG 3.94Å; F21-R91 HydrophobicContact CG-CG 4.36Å; F21-R91 HydrophobicContact CZ-CB 4Å; F21-R91 HydrophobicContact CZ-CG 3.73Å
22	S	91.1	Very high	92.8	Very high	61 Å²	61	40.3 Å²	40.3	43%	0.427	27%	0.268	S	S	.	.			trans	-93.2	134	175.1	-179.3	0	0	0	0	111.9	T24 G25 Y26	S22-T24 PolarHBondContact O-N 2.96Å; S22-T24 PolarHBondContact OG-N 3.15Å; S22-T24 PolarHBondContact OG-OG1 3Å; S22-G25 PolarHBondContact O-N 2.84Å; S22-G25 VanDerWaalsContact O-N 3.14Å; S22-Y26 PolarHBondContact O-N 2.8Å
23	L	93.3	Very high	93	Very high	3 Å²	3	43 Å²	43	2%	0.016	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-7.7	173	-68.1	-179	0	0	0	114.1	V18 F21 V28 G47 K65 N67 Q71 V72	V18-L23 HydrophobicContact CG1-CD2 4.24Å; V18-L23 HydrophobicContact CG2-CD1 4.13Å; V18-L23 HydrophobicContact CG2-CD2 3.59Å; V18-L23 HydrophobicContact CG2-CG 3.69Å; F21-L23 HydrophobicContact CE2-CD2 3.93Å; L23-V28 HydrophobicContact CD2-CG2 3.66Å; L23-G47 WeakPolarHBondContact O-CA 3.48Å; L23-K65 HydrophobicContact CB-CD 4.43Å; L23-K65 HydrophobicContact CD1-CB 4.39Å; L23-K65 PolarHBondContact O-NZ 3.34Å; L23-N67 VanDerWaalsContact CB-OD1 3.26Å; L23-N67 WeakPolarHBondContact CB-OD1 3.39Å; L23-Q71 WeakPolarHBondContact CD1-O 3.25Å; L23-V72 HydrophobicContact CD1-CG2 3.82Å; L23-V72 HydrophobicContact CD2-CG2 3.63Å; L23-V72 HydrophobicContact CG-CG2 4.41Å
24	T	92.4	Very high	93.1	Very high	86 Å²	86	40.6 Å²	40.6	53%	0.528	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-26	171.5	57	0	0	0	0	112.7	S22 G47 N67	S22-T24 PolarHBondContact O-N 2.96Å; S22-T24 PolarHBondContact OG-N 3.15Å; S22-T24 PolarHBondContact OG-OG1 3Å; T24-G47 CarbonylContact O-C 3.46Å; T24-G47 WeakPolarHBondContact O-CA 3.33Å; T24-N67 HydrophobicContact CG2-CB 4.4Å; T24-N67 WeakPolarHBondContact CG2-ND2 3Å
25	G	88.4	Confident	93	Very high	57 Å²	57	45.2 Å²	45.2	59%	0.588	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-20.4	-176.4	0	0	0	0	0	114.5	S22	S22-G25 PolarHBondContact O-N 2.84Å; S22-G25 VanDerWaalsContact O-N 3.14Å
26	Y	88.8	Confident	93	Very high	100 Å²	100	46.4 Å²	46.4	39%	0.392	32%	0.319	S	S	.	.			trans	-127.5	151.6	-176.9	-65.3	-92.8	0	0	0	111.5	F21 S22 R91	F21-Y26 HydrophobicContact CB-CD2 3.87Å; F21-Y26 HydrophobicContact CB-CE2 4.21Å; F21-Y26 HydrophobicContact CB-CG 4.43Å; F21-Y26 HydrophobicContact CD2-CD2 4.1Å; F21-Y26 HydrophobicContact CD2-CG 4.08Å; F21-Y26 HydrophobicContact CG-CD2 4.4Å; S22-Y26 PolarHBondContact O-N 2.8Å; Y26-R91 HydrophobicContact CD1-CG 4.35Å
27	G	91.3	Very high	92.9	Very high	5 Å²	5	52.7 Å²	52.7	5%	0.052	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	168	171.3	0	0	0	0	0	112.6	I45 D92	G27-I45 CarbonylContact C-O 3.57Å; G27-I45 WeakPolarHBondContact CA-O 3.37Å; G27-D92 WeakPolarHBondContact O-CB 3.5Å; G27-D92 PolarHBondContact O-N 2.8Å
28	V	94.1	Very high	92.8	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	130.9	172.7	178.6	0	0	0	0	109.2	V18 F21 L23 R44 I45 V72 C89 A90	V18-V28 HydrophobicContact CG1-CG2 4.21Å; F21-V28 HydrophobicContact CE2-CG2 4.06Å; F21-V28 HydrophobicContact CZ-CG2 4.04Å; L23-V28 HydrophobicContact CD2-CG2 3.66Å; V28-R44 CarbonylContact O-C 3.56Å; V28-R44 VanDerWaalsContact O-CA 3.25Å; V28-R44 WeakPolarHBondContact O-CA 3.38Å; V28-R44 WeakPolarHBondContact O-CB 3.47Å; V28-I45 HydrophobicContact CB-CG2 4.45Å; V28-I45 PolarHBondContact N-O 2.83Å; V28-I45 PolarHBondContact O-N 2.94Å; V28-V72 HydrophobicContact CB-CG1 4.34Å; V28-V72 HydrophobicContact CB-CG2 3.97Å; V28-V72 HydrophobicContact CG1-CB 4.36Å; V28-V72 HydrophobicContact CG1-CG1 4.28Å; V28-V72 HydrophobicContact CG1-CG2 4.23Å; V28-V72 HydrophobicContact CG2-CG2 3.83Å; V28-C89 HydrophobicContact CG1-CB 3.93Å; V28-A90 CarbonylContact C-O 3.59Å; V28-A90 WeakPolarHBondContact CA-O 3.46Å
29	N	94.6	Very high	92.9	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.027	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	147.7	176.8	-71.3	-92.2	0	0	0	110.5	W41 R44 C89 A90 D92 F100	N29-W41 PolarHBondContact OD1-NE1 2.98Å; N29-R44 HydrophobicContact CB-CB 4.4Å; N29-R44 VanDerWaalsContact OD1-CB 3.22Å; N29-R44 WeakPolarHBondContact OD1-CB 3.43Å; N29-C89 CarbonylContact O-C 3.59Å; N29-C89 VanDerWaalsContact O-CA 3.22Å; N29-C89 WeakPolarHBondContact O-CA 3.34Å; N29-A90 PolarHBondContact N-O 3.14Å; N29-A90 PolarHBondContact O-N 3.17Å; N29-D92 VanDerWaalsContact ND2-CB 3.27Å; N29-D92 WeakPolarHBondContact ND2-CB 3.29Å; N29-D92 PolarHBondContact ND2-OD2 3.32Å; N29-F100 HydrophobicContact CB-CD1 3.89Å; N29-F100 HydrophobicContact CB-CE1 3.47Å; N29-F100 VanDerWaalsContact CB-CE1 3.47Å; N29-F100 HydrophobicContact CB-CZ 4.36Å; N29-F100 WeakPolarHBondContact ND2-CE1 3.29Å; N29-F100 WeakPolarHBondContact OD1-CE1 3.4Å
30	W	95.9	Very high	93.1	Very high	3 Å²	3	52.4 Å²	52.4	1%	0.011	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.7	169.3	-74.4	101.1	0	0	0	109.8	I14 C16 L42 G43 V72 L74 Y88 C89	I14-W30 HydrophobicContact CB-CH2 4.14Å; I14-W30 HydrophobicContact CB-CZ3 4.24Å; I14-W30 HydrophobicContact CG2-CH2 3.8Å; I14-W30 HydrophobicContact CG2-CZ3 3.79Å; C16-W30 HydrophobicContact CB-CH2 3.61Å; C16-W30 HydrophobicContact CB-CZ2 3.81Å; C16-W30 HydrophobicContact CB-CZ3 4.48Å; W30-L42 HydrophobicContact CB-CB 4.09Å; W30-L42 HydrophobicContact CB-CD1 4.41Å; W30-L42 WeakPolarHBondContact O-CB 3.44Å; W30-L42 PolarHBondContact O-N 2.89Å; W30-G43 PolarHBondContact N-O 2.8Å; W30-V72 HydrophobicContact CZ2-CG1 4.26Å; W30-L74 HydrophobicContact CB-CD2 4.29Å; W30-L74 HydrophobicContact CD2-CB 3.63Å; W30-L74 HydrophobicContact CD2-CD2 4Å; W30-L74 HydrophobicContact CD2-CG 4.32Å; W30-L74 HydrophobicContact CE3-CB 3.99Å; W30-L74 HydrophobicContact CE3-CD2 3.9Å; W30-L74 HydrophobicContact CG-CB 4.08Å; W30-L74 HydrophobicContact CG-CD1 4.3Å; W30-L74 HydrophobicContact CG-CD2 4.18Å; W30-L74 HydrophobicContact CG-CG 4.43Å; W30-L74 HydrophobicContact CH2-CB 4.1Å; W30-L74 HydrophobicContact CZ2-CB 3.76Å; W30-L74 HydrophobicContact CZ3-CB 4.21Å; W30-Y88 WeakPolarHBondContact CA-O 3.45Å; W30-C89 HydrophobicContact CD2-CB 4.47Å; W30-C89 HydrophobicContact CE3-CB 4.23Å; W30-C89 HydrophobicContact CH2-CB 4.26Å; W30-C89 HydrophobicContact CZ2-CB 4.47Å; W30-C89 HydrophobicContact CZ3-CB 4.13Å
31	V	95.4	Very high	93.4	Very high	3 Å²	3	52 Å²	52	2%	0.018	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.9	-179.3	-177.9	0	0	0	0	108	L39 E40 Y87 Y88 F100 W103	V31-L39 HydrophobicContact CG1-CB 3.89Å; V31-L39 HydrophobicContact CG1-CD2 3.79Å; V31-L39 HydrophobicContact CG1-CG 4.36Å; V31-E40 CarbonylContact C-O 3.47Å; V31-E40 WeakPolarHBondContact CA-O 3.07Å; V31-E40 WeakPolarHBondContact CG1-O 3.38Å; V31-Y87 CarbonylContact O-C 3.43Å; V31-Y88 PolarHBondContact N-O 2.86Å; V31-Y88 PolarHBondContact O-N 3Å; V31-F100 HydrophobicContact CG2-CZ 4.48Å; V31-W103 HydrophobicContact CB-CH2 3.92Å; V31-W103 HydrophobicContact CB-CZ3 3.75Å; V31-W103 HydrophobicContact CG1-CH2 3.88Å; V31-W103 HydrophobicContact CG1-CZ3 3.94Å; V31-W103 HydrophobicContact CG2-CH2 3.75Å; V31-W103 HydrophobicContact CG2-CZ3 3.99Å
32	R	95.8	Very high	93.7	Very high	21 Å²	21	50.3 Å²	50.3	8%	0.079	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	156	170.2	71.2	177	179.2	-173.5	1.4	111.9	E40 L42 D83 A85 R86 Y87	R32-E40 HydrophobicContact CG-CB 4.09Å; R32-E40 IonicContact CZ-OE2 3.43Å; R32-E40 VanDerWaalsContact CZ-OE2 3.23Å; R32-E40 PolarHBondContact N-O 2.61Å; R32-E40 IonicContact NE-OE2 2.94Å; R32-E40 PolarHBondContact NE-OE2 3.24Å; R32-E40 IonicContact NH2-OE1 3.99Å; R32-E40 PolarHBondContact NH2-OE1 2.91Å; R32-E40 IonicContact NH2-OE2 2.83Å; R32-E40 PolarHBondContact NH2-OE2 3.21Å; R32-E40 PolarHBondContact O-N 3.03Å; R32-L42 HydrophobicContact CB-CD1 4.11Å; R32-L42 HydrophobicContact CB-CG 4.45Å; R32-L42 HydrophobicContact CG-CD1 4.26Å; R32-L42 HydrophobicContact CG-CD2 3.83Å; R32-L42 HydrophobicContact CG-CG 4.21Å; R32-D83 IonicContact CZ-OD1 3.38Å; R32-D83 IonicContact NH1-OD1 2.86Å; R32-D83 PolarHBondContact NH1-OD1 3.11Å; R32-A85 HydrophobicContact CB-CB 3.9Å; R32-A85 HydrophobicContact CG-CB 4.3Å; R32-R86 CarbonylContact C-O 3.44Å; R32-R86 VanDerWaalsContact CA-O 3.26Å; R32-R86 WeakPolarHBondContact CA-O 3.39Å; R32-Y87 HydrophobicContact CB-CD1 3.85Å; R32-Y87 HydrophobicContact CB-CE1 3.8Å; R32-Y87 HydrophobicContact CB-CG 4.28Å; R32-Y87 HydrophobicContact CG-CE1 4.48Å
33	Q	96.4	Very high	93.9	Very high	76 Å²	76	47.4 Å²	47.4	36%	0.355	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	100.2	172.2	-170.6	178.2	25.8	0	0	109.1	L39 A85 R86 Y88	Q33-L39 HydrophobicContact CB-CD2 3.96Å; Q33-L39 HydrophobicContact CG-CD2 4.36Å; Q33-A85 WeakPolarHBondContact O-CA 3.43Å; Q33-A85 WeakPolarHBondContact O-CB 3.32Å; Q33-R86 PolarHBondContact N-O 3.11Å; Q33-R86 PolarHBondContact O-N 2.88Å; Q33-Y88 HydrophobicContact CB-CE2 3.83Å; Q33-Y88 PolarHBondContact OE1-OH 2.96Å
34	P	95.8	Very high	93.9	Very high	13 Å²	13	50.3 Å²	50.3	8%	0.084	30%	0.298	C	S	.	.			trans	-65.7	152.3	171.3	-17.8	31.2	0	0	0	111.1	G36 K37 A85	P34-G36 PolarHBondContact O-N 2.84Å; P34-K37 HydrophobicContact CB-CB 4.08Å; P34-K37 HydrophobicContact CB-CD 3.99Å; P34-K37 HydrophobicContact CB-CG 4.25Å; P34-K37 HydrophobicContact CG-CB 4.28Å; P34-K37 HydrophobicContact CG-CD 4.22Å; P34-K37 PolarHBondContact O-N 2.83Å; P34-K37 VanDerWaalsContact O-N 3.09Å; P34-A85 HydrophobicContact CB-CB 4.45Å; P34-A85 HydrophobicContact CG-CB 4.33Å
35	P	94.3	Very high	94	Very high	100 Å²	100	46.6 Å²	46.6	65%	0.649	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	128.6	175.9	-24.8	33.9	0	0	0	112	K37 T84	P35-K37 PolarHBondContact O-N 3.46Å; P35-T84 VanDerWaalsContact CD-O 3.27Å; P35-T84 WeakPolarHBondContact CD-O 3.47Å; P35-T84 HydrophobicContact CG-CG2 4.47Å
36	G	95.3	Very high	94.3	Very high	93 Å²	93	47.5 Å²	47.5	96%	0.959	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	7.5	179.5	0	0	0	0	0	115.6	P34	P34-G36 PolarHBondContact O-N 2.84Å
37	K	94.5	Very high	94.5	Very high	142 Å²	142	43.6 Å²	43.6	62%	0.617	25%	0.251	S	S	*	.	S	Bend	trans	-117.5	165.2	178.2	-61	-172	-176.3	174.4	0	112	P34 P35	P34-K37 HydrophobicContact CB-CB 4.08Å; P34-K37 HydrophobicContact CB-CD 3.99Å; P34-K37 HydrophobicContact CB-CG 4.25Å; P34-K37 HydrophobicContact CG-CB 4.28Å; P34-K37 HydrophobicContact CG-CD 4.22Å; P34-K37 PolarHBondContact O-N 2.83Å; P34-K37 VanDerWaalsContact O-N 3.09Å; P35-K37 PolarHBondContact O-N 3.46Å
38	G	93.8	Very high	94.5	Very high	55 Å²	55	49.6 Å²	49.6	57%	0.567	28%	0.281	S	S	*	.			trans	-71.3	177.7	172.8	0	0	0	0	0	113.3
39	L	93.9	Very high	94.5	Very high	102 Å²	102	51.1 Å²	51.1	53%	0.534	30%	0.298	S	S	.	.			trans	-70	133.7	173.7	-69	168.5	0	0	0	110.5	V31 Q33 Y88 W103	V31-L39 HydrophobicContact CG1-CB 3.89Å; V31-L39 HydrophobicContact CG1-CD2 3.79Å; V31-L39 HydrophobicContact CG1-CG 4.36Å; Q33-L39 HydrophobicContact CB-CD2 3.96Å; Q33-L39 HydrophobicContact CG-CD2 4.36Å; L39-Y88 HydrophobicContact CD2-CD2 4.35Å; L39-Y88 HydrophobicContact CD2-CE2 4.13Å; L39-W103 HydrophobicContact CD1-CH2 4.04Å; L39-W103 HydrophobicContact CD2-CH2 4.48Å; L39-W103 HydrophobicContact CD2-CZ3 4.38Å
40	E	93.9	Very high	94.5	Very high	56 Å²	56	53.2 Å²	53.2	26%	0.262	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.1	177.2	-176.7	-176.3	-176.4	0	0	109.6	V31 R32	V31-E40 CarbonylContact C-O 3.47Å; V31-E40 WeakPolarHBondContact CA-O 3.07Å; V31-E40 WeakPolarHBondContact CG1-O 3.38Å; R32-E40 HydrophobicContact CG-CB 4.09Å; R32-E40 IonicContact CZ-OE2 3.43Å; R32-E40 VanDerWaalsContact CZ-OE2 3.23Å; R32-E40 PolarHBondContact N-O 2.61Å; R32-E40 IonicContact NE-OE2 2.94Å; R32-E40 PolarHBondContact NE-OE2 3.24Å; R32-E40 IonicContact NH2-OE1 3.99Å; R32-E40 PolarHBondContact NH2-OE1 2.91Å; R32-E40 IonicContact NH2-OE2 2.83Å; R32-E40 PolarHBondContact NH2-OE2 3.21Å; R32-E40 PolarHBondContact O-N 3.03Å
41	W	93.9	Very high	94.4	Very high	73 Å²	73	56.1 Å²	56.1	28%	0.277	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	132.5	174.6	-179	83.9	0	0	0	110.7	N29 G43 R44 D52 N54	N29-W41 PolarHBondContact OD1-NE1 2.98Å; W41-G43 VanDerWaalsContact CZ2-C 3.48Å; W41-G43 PolarHBondContact NE1-O 2.91Å; W41-R44 HydrophobicContact CZ2-CB 4.17Å; W41-R44 HydrophobicContact CZ2-CG 4.03Å; W41-D52 HydrophobicContact CH2-CB 4.15Å; W41-N54 HydrophobicContact CE3-CB 4.1Å; W41-N54 HydrophobicContact CZ3-CB 4.26Å; W41-N54 WeakPolarHBondContact O-CB 3.47Å; W41-N54 PolarHBondContact O-ND2 2.95Å
42	L	95	Very high	94.3	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.005	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-37	-177	-61.3	-176.2	0	0	0	112.5	W30 R32 N54 L57 L61 L74 Y87	W30-L42 HydrophobicContact CB-CB 4.09Å; W30-L42 HydrophobicContact CB-CD1 4.41Å; W30-L42 WeakPolarHBondContact O-CB 3.44Å; W30-L42 PolarHBondContact O-N 2.89Å; R32-L42 HydrophobicContact CB-CD1 4.11Å; R32-L42 HydrophobicContact CB-CG 4.45Å; R32-L42 HydrophobicContact CG-CD1 4.26Å; R32-L42 HydrophobicContact CG-CD2 3.83Å; R32-L42 HydrophobicContact CG-CG 4.21Å; L42-N54 PolarHBondContact O-N 3.06Å; L42-L57 HydrophobicContact CD2-CD1 3.34Å; L42-L61 HydrophobicContact CB-CD1 3.99Å; L42-L61 HydrophobicContact CD2-CD1 4.31Å; L42-L74 HydrophobicContact CD1-CD2 3.68Å; L42-Y87 HydrophobicContact CD1-CD1 3.78Å; L42-Y87 HydrophobicContact CD1-CE1 3.68Å
43	G	94.6	Very high	94.2	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.7	178.5	-174.6	0	0	0	0	0	112	W30 W41 D52 I63	W30-G43 PolarHBondContact N-O 2.8Å; W41-G43 VanDerWaalsContact CZ2-C 3.48Å; W41-G43 PolarHBondContact NE1-O 2.91Å; G43-D52 CarbonylContact C-O 3.6Å; G43-D52 WeakPolarHBondContact CA-O 3.46Å; G43-I63 VanDerWaalsContact C-CD1 3.49Å
44	R	93.9	Very high	94	Very high	65 Å²	65	57.5 Å²	57.5	25%	0.245	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	162.1	176.9	73.4	-177.8	170.2	177.5	-11.3	112.6	V28 N29 W41 W46 T51 D52 D92	V28-R44 CarbonylContact O-C 3.56Å; V28-R44 VanDerWaalsContact O-CA 3.25Å; V28-R44 WeakPolarHBondContact O-CA 3.38Å; V28-R44 WeakPolarHBondContact O-CB 3.47Å; N29-R44 HydrophobicContact CB-CB 4.4Å; N29-R44 VanDerWaalsContact OD1-CB 3.22Å; N29-R44 WeakPolarHBondContact OD1-CB 3.43Å; W41-R44 HydrophobicContact CZ2-CB 4.17Å; W41-R44 HydrophobicContact CZ2-CG 4.03Å; R44-W46 HydrophobicContact CG-CD2 4.34Å; R44-W46 HydrophobicContact CG-CE3 4.14Å; R44-W46 HydrophobicContact CG-CH2 4.3Å; R44-W46 HydrophobicContact CG-CZ2 4.49Å; R44-W46 HydrophobicContact CG-CZ3 4.11Å; R44-W46 VanDerWaalsContact CZ-CE2 3.44Å; R44-W46 VanDerWaalsContact NE-CE2 3.27Å; R44-W46 VanDerWaalsContact NE-CH2 3.33Å; R44-T51 VanDerWaalsContact O-CA 3.26Å; R44-T51 WeakPolarHBondContact O-CA 3.27Å; R44-D52 HydrophobicContact CG-CB 4.18Å; R44-D52 PolarHBondContact N-O 3.43Å; R44-D52 PolarHBondContact O-N 3.17Å; R44-D92 WeakPolarHBondContact CD-OD2 3.42Å; R44-D92 IonicContact CZ-OD2 3.77Å; R44-D92 IonicContact NE-OD2 3.94Å; R44-D92 IonicContact NH1-OD2 2.84Å; R44-D92 PolarHBondContact NH1-OD2 2.7Å
45	I	95.3	Very high	93.7	Very high	7 Å²	7	62 Å²	62	4%	0.036	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132	169.8	-172.7	162.6	0	0	0	109.3	G27 V28 S50 T51 I63 K65 V72	G27-I45 CarbonylContact C-O 3.57Å; G27-I45 WeakPolarHBondContact CA-O 3.37Å; V28-I45 HydrophobicContact CB-CG2 4.45Å; V28-I45 PolarHBondContact N-O 2.83Å; V28-I45 PolarHBondContact O-N 2.94Å; I45-S50 WeakPolarHBondContact CA-O 3.3Å; I45-S50 WeakPolarHBondContact CG1-O 3.22Å; I45-T51 HydrophobicContact CB-CG2 3.98Å; I45-T51 HydrophobicContact CD1-CG2 3.92Å; I45-T51 HydrophobicContact CG1-CG2 3.81Å; I45-I63 HydrophobicContact CB-CG2 3.76Å; I45-I63 HydrophobicContact CG2-CG2 3.77Å; I45-K65 HydrophobicContact CD1-CB 4.07Å; I45-K65 HydrophobicContact CD1-CD 3.86Å; I45-K65 HydrophobicContact CD1-CG 3.73Å; I45-K65 HydrophobicContact CG1-CD 4.12Å; I45-V72 HydrophobicContact CG2-CG1 3.73Å
46	W	93.7	Very high	93.4	Very high	76 Å²	76	60.9 Å²	60.9	29%	0.288	37%	0.372	S	S	.	.			trans	-90.8	173.6	179.9	-73.2	-93.8	0	0	0	112.6	R44 D48 G49 S50 D52 K65	R44-W46 HydrophobicContact CG-CD2 4.34Å; R44-W46 HydrophobicContact CG-CE3 4.14Å; R44-W46 HydrophobicContact CG-CH2 4.3Å; R44-W46 HydrophobicContact CG-CZ2 4.49Å; R44-W46 HydrophobicContact CG-CZ3 4.11Å; R44-W46 VanDerWaalsContact CZ-CE2 3.44Å; R44-W46 VanDerWaalsContact NE-CE2 3.27Å; R44-W46 VanDerWaalsContact NE-CH2 3.33Å; W46-D48 VanDerWaalsContact C-N 3.26Å; W46-D48 WeakPolarHBondContact CB-OD1 3.47Å; W46-D48 PolarHBondContact O-N 2.72Å; W46-G49 PolarHBondContact O-N 2.9Å; W46-S50 PolarHBondContact N-O 2.97Å; W46-D52 HydrophobicContact CH2-CB 3.57Å; W46-D52 HydrophobicContact CZ3-CB 3.57Å; W46-K65 PolarHBondContact O-NZ 3.43Å
47	G	92.1	Very high	93	Very high	19 Å²	19	57 Å²	57	20%	0.196	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-35.9	177.5	0	0	0	0	0	113.9	L23 T24 G49 K65	L23-G47 WeakPolarHBondContact O-CA 3.48Å; T24-G47 CarbonylContact O-C 3.46Å; T24-G47 WeakPolarHBondContact O-CA 3.33Å; G47-G49 VanDerWaalsContact C-N 3.27Å; G47-G49 PolarHBondContact O-N 3.06Å; G47-K65 PolarHBondContact O-NZ 2.81Å
48	D	92.8	Very high	92.6	Very high	130 Å²	130	56.6 Å²	56.6	70%	0.695	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.1	176.1	67.1	-4.3	0	0	0	114.1	W46 S50	W46-D48 VanDerWaalsContact C-N 3.26Å; W46-D48 WeakPolarHBondContact CB-OD1 3.47Å; W46-D48 PolarHBondContact O-N 2.72Å; D48-S50 WeakPolarHBondContact OD1-CB 3.34Å; D48-S50 PolarHBondContact OD1-N 2.97Å; D48-S50 PolarHBondContact OD1-OG 3.45Å; D48-S50 PolarHBondContact OD2-OG 3.09Å
49	G	93.8	Very high	92.5	Very high	34 Å²	34	59.4 Å²	59.4	35%	0.351	34%	0.338	S	S	.	.	S	Bend	trans	89	0.5	-178.8	0	0	0	0	0	114.7	W46 G47	W46-G49 PolarHBondContact O-N 2.9Å; G47-G49 VanDerWaalsContact C-N 3.27Å; G47-G49 PolarHBondContact O-N 3.06Å
50	S	94.1	Very high	92.5	Very high	48 Å²	48	56.2 Å²	56.2	34%	0.336	32%	0.319	S	S	.	.			trans	-60.5	154.4	167.4	63.8	0	0	0	0	110.4	I45 W46 D48	I45-S50 WeakPolarHBondContact CA-O 3.3Å; I45-S50 WeakPolarHBondContact CG1-O 3.22Å; W46-S50 PolarHBondContact N-O 2.97Å; D48-S50 WeakPolarHBondContact OD1-CB 3.34Å; D48-S50 PolarHBondContact OD1-N 2.97Å; D48-S50 PolarHBondContact OD1-OG 3.45Å; D48-S50 PolarHBondContact OD2-OG 3.09Å
51	T	95	Very high	92.5	Very high	64 Å²	64	54.3 Å²	54.3	39%	0.393	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.8	-178.1	56	0	0	0	0	111.7	R44 I45 H53 I63	R44-T51 VanDerWaalsContact O-CA 3.26Å; R44-T51 WeakPolarHBondContact O-CA 3.27Å; I45-T51 HydrophobicContact CB-CG2 3.98Å; I45-T51 HydrophobicContact CD1-CG2 3.92Å; I45-T51 HydrophobicContact CG1-CG2 3.81Å; T51-H53 PolarHBondContact OG1-CE1 3.47Å; T51-I63 HydrophobicContact CG2-CB 4.46Å
52	D	93.5	Very high	92.5	Very high	67 Å²	67	53.4 Å²	53.4	36%	0.358	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	148.4	172.3	-170.7	16.7	0	0	0	109.1	W41 G43 R44 W46	W41-D52 HydrophobicContact CH2-CB 4.15Å; G43-D52 CarbonylContact C-O 3.6Å; G43-D52 WeakPolarHBondContact CA-O 3.46Å; R44-D52 HydrophobicContact CG-CB 4.18Å; R44-D52 PolarHBondContact N-O 3.43Å; R44-D52 PolarHBondContact O-N 3.17Å; W46-D52 HydrophobicContact CH2-CB 3.57Å; W46-D52 HydrophobicContact CZ3-CB 3.57Å
53	H	93	Very high	92.6	Very high	26 Å²	26	53.9 Å²	53.9	12%	0.12	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	146.9	-169.7	-61.6	82.1	0	0	0	110.1	T51 S55 K58	T51-H53 PolarHBondContact OG1-CE1 3.47Å; H53-S55 PolarHBondContact O-N 3.09Å; H53-K58 HydrophobicContact CB-CB 4.08Å; H53-K58 HydrophobicContact CB-CD 4.35Å; H53-K58 HydrophobicContact CB-CG 3.94Å
54	N	91.9	Very high	92.7	Very high	36 Å²	36	56.6 Å²	56.6	19%	0.193	34%	0.337	C	S	.	.			trans	-59.7	120.8	165.4	-175.3	-31.1	0	0	0	109.1	W41 L42 A56 L57 K58	W41-N54 HydrophobicContact CE3-CB 4.1Å; W41-N54 HydrophobicContact CZ3-CB 4.26Å; W41-N54 WeakPolarHBondContact O-CB 3.47Å; W41-N54 PolarHBondContact O-ND2 2.95Å; L42-N54 PolarHBondContact O-N 3.06Å; N54-A56 PolarHBondContact O-N 3.5Å; N54-A56 VanDerWaalsContact O-N 3.15Å; N54-A56 WeakPolarHBondContact OD1-CB 3.44Å; N54-A56 PolarHBondContact OD1-N 3.2Å; N54-A56 VanDerWaalsContact OD1-N 3.09Å; N54-L57 PolarHBondContact O-N 3.44Å; N54-K58 PolarHBondContact O-N 2.75Å
55	S	90.2	Very high	92.9	Very high	109 Å²	109	55.6 Å²	55.6	76%	0.762	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-32.5	-174.6	54.2	0	0	0	0	112.7	H53 L57	H53-S55 PolarHBondContact O-N 3.09Å; S55-L57 PolarHBondContact O-N 2.96Å
56	A	87.3	Confident	93	Very high	75 Å²	75	57.2 Å²	57.2	62%	0.62	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.7	178	0	0	0	0	0	113.6	N54	N54-A56 PolarHBondContact O-N 3.5Å; N54-A56 VanDerWaalsContact O-N 3.15Å; N54-A56 WeakPolarHBondContact OD1-CB 3.44Å; N54-A56 PolarHBondContact OD1-N 3.2Å; N54-A56 VanDerWaalsContact OD1-N 3.09Å
57	L	86.1	Confident	93.1	Very high	13 Å²	13	57 Å²	57	7%	0.068	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-6.8	-173.4	-59.8	174	0	0	0	113.2	L42 N54 S55 S59 R60 L61	L42-L57 HydrophobicContact CD2-CD1 3.34Å; N54-L57 PolarHBondContact O-N 3.44Å; S55-L57 PolarHBondContact O-N 2.96Å; L57-S59 PolarHBondContact O-N 2.82Å; L57-R60 PolarHBondContact O-N 2.96Å; L57-L61 HydrophobicContact CB-CD1 3.5Å; L57-L61 VanDerWaalsContact CB-CD1 3.5Å; L57-L61 HydrophobicContact CB-CG 3.93Å; L57-L61 HydrophobicContact CD1-CD1 4.2Å; L57-L61 HydrophobicContact CG-CD1 4.5Å; L57-L61 WeakPolarHBondContact O-CG 3.46Å; L57-L61 PolarHBondContact O-N 3.41Å
58	K	87.6	Confident	93.2	Very high	133 Å²	133	61 Å²	61	58%	0.578	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-30.2	-173.6	-172.2	174.3	-176.6	176.9	0	114.5	H53 N54 R60	H53-K58 HydrophobicContact CB-CB 4.08Å; H53-K58 HydrophobicContact CB-CD 4.35Å; H53-K58 HydrophobicContact CB-CG 3.94Å; N54-K58 PolarHBondContact O-N 2.75Å; K58-R60 VanDerWaalsContact C-N 3.29Å; K58-R60 PolarHBondContact O-N 3.49Å
59	S	91.6	Very high	93.4	Very high	113 Å²	113	60.9 Å²	60.9	79%	0.79	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-20.7	179.3	58.8	0	0	0	0	114	L57	L57-S59 PolarHBondContact O-N 2.82Å
60	R	93.1	Very high	93.5	Very high	35 Å²	35	61.3 Å²	61.3	13%	0.132	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-14.1	-174.8	-59.7	-167.3	-58.4	117.7	-0.1	113.6	L57 K58 M76 N77 S78 D83	L57-R60 PolarHBondContact O-N 2.96Å; K58-R60 VanDerWaalsContact C-N 3.29Å; K58-R60 PolarHBondContact O-N 3.49Å; R60-M76 WeakPolarHBondContact O-CA 2.97Å; R60-N77 PolarHBondContact O-N 2.88Å; R60-S78 PolarHBondContact NH1-O 3.01Å; R60-S78 VanDerWaalsContact NH1-O 3.09Å; R60-D83 IonicContact CZ-OD1 3.79Å; R60-D83 IonicContact CZ-OD2 3.54Å; R60-D83 IonicContact NH1-OD1 3.67Å; R60-D83 IonicContact NH1-OD2 2.72Å; R60-D83 PolarHBondContact NH1-OD2 2.9Å; R60-D83 IonicContact NH2-OD1 2.73Å; R60-D83 PolarHBondContact NH2-OD1 3.27Å; R60-D83 IonicContact NH2-OD2 3.23Å; R60-D83 PolarHBondContact NH2-OD2 2.84Å
61	L	93.3	Very high	93.6	Very high	17 Å²	17	61.1 Å²	61.1	9%	0.089	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	145.6	-177	-59.6	-176.4	0	0	0	112.1	L42 L57 L74 K75 M76	L42-L61 HydrophobicContact CB-CD1 3.99Å; L42-L61 HydrophobicContact CD2-CD1 4.31Å; L57-L61 HydrophobicContact CB-CD1 3.5Å; L57-L61 VanDerWaalsContact CB-CD1 3.5Å; L57-L61 HydrophobicContact CB-CG 3.93Å; L57-L61 HydrophobicContact CD1-CD1 4.2Å; L57-L61 HydrophobicContact CG-CD1 4.5Å; L57-L61 WeakPolarHBondContact O-CG 3.46Å; L57-L61 PolarHBondContact O-N 3.41Å; L61-L74 HydrophobicContact CD2-CD1 4.22Å; L61-K75 CarbonylContact C-O 3.6Å; L61-K75 WeakPolarHBondContact CA-O 3.01Å; L61-M76 HydrophobicContact CD2-CB 4.15Å; L61-M76 HydrophobicContact CD2-CG 3.52Å; L61-M76 HydrophobicContact CD2-SD 4.1Å
62	S	95.4	Very high	93.7	Very high	54 Å²	54	58.1 Å²	58.1	38%	0.378	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	129.7	166.5	174.1	0	0	0	0	109.3	K75	S62-K75 PolarHBondContact N-O 2.95Å; S62-K75 PolarHBondContact O-N 2.65Å
63	I	96.9	Very high	93.9	Very high	11 Å²	11	56.9 Å²	56.9	6%	0.056	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.7	177.7	-57.5	168.2	0	0	0	108.5	G43 I45 T51 V72 F73 L74	G43-I63 VanDerWaalsContact C-CD1 3.49Å; I45-I63 HydrophobicContact CB-CG2 3.76Å; I45-I63 HydrophobicContact CG2-CG2 3.77Å; T51-I63 HydrophobicContact CG2-CB 4.46Å; I63-V72 HydrophobicContact CG2-CG1 4.21Å; I63-F73 WeakPolarHBondContact CA-O 3.09Å; I63-L74 HydrophobicContact CG1-CD1 3.85Å
64	S	97.2	Very high	94.1	Very high	56 Å²	56	55.6 Å²	55.6	39%	0.392	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	170.8	176.3	67.3	0	0	0	0	111.1	V72 F73	S64-V72 CarbonylContact O-C 3.59Å; S64-V72 WeakPolarHBondContact O-CA 3.46Å; S64-V72 WeakPolarHBondContact O-CG1 3.11Å; S64-F73 PolarHBondContact N-O 3.3Å; S64-F73 PolarHBondContact O-N 3.49Å
65	K	96.9	Very high	94.3	Very high	44 Å²	44	58.8 Å²	58.8	19%	0.191	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	153.2	178.2	68.7	-177.4	-173.2	176.5	0	112.5	L23 I45 W46 G47 N67 Q71 V72	L23-K65 HydrophobicContact CB-CD 4.43Å; L23-K65 HydrophobicContact CD1-CB 4.39Å; L23-K65 PolarHBondContact O-NZ 3.34Å; I45-K65 HydrophobicContact CD1-CB 4.07Å; I45-K65 HydrophobicContact CD1-CD 3.86Å; I45-K65 HydrophobicContact CD1-CG 3.73Å; I45-K65 HydrophobicContact CG1-CD 4.12Å; W46-K65 PolarHBondContact O-NZ 3.43Å; G47-K65 PolarHBondContact O-NZ 2.81Å; K65-N67 WeakPolarHBondContact CD-OD1 3.44Å; K65-N67 VanDerWaalsContact CE-OD1 3.29Å; K65-N67 WeakPolarHBondContact CE-OD1 3.36Å; K65-Q71 CarbonylContact C-O 3.49Å; K65-Q71 VanDerWaalsContact CA-O 3.27Å; K65-Q71 WeakPolarHBondContact CA-O 3.18Å; K65-Q71 WeakPolarHBondContact CB-O 3.06Å; K65-V72 HydrophobicContact CB-CG2 4.13Å
66	D	96.9	Very high	94.5	Very high	42 Å²	42	53.7 Å²	53.7	23%	0.225	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	101.5	169.2	-177	-16.2	0	0	0	108.2	S68 K69 S70 Q71 F73	D66-S68 VanDerWaalsContact C-N 3.25Å; D66-S68 PolarHBondContact O-N 2.93Å; D66-S68 WeakPolarHBondContact OD1-CB 3.46Å; D66-S68 PolarHBondContact OD1-N 3.26Å; D66-S68 PolarHBondContact OD1-OG 2.79Å; D66-K69 HydrophobicContact CB-CB 4.37Å; D66-K69 PolarHBondContact O-N 3.05Å; D66-K69 PolarHBondContact OD1-N 3.38Å; D66-K69 WeakPolarHBondContact OD2-CD 3.37Å; D66-K69 VanDerWaalsContact OD2-CE 3.27Å; D66-K69 WeakPolarHBondContact OD2-CE 3.25Å; D66-K69 WeakPolarHBondContact OD2-CG 3.45Å; D66-K69 IonicContact OD2-NZ 3.59Å; D66-S70 PolarHBondContact O-N 2.98Å; D66-S70 VanDerWaalsContact O-N 3.08Å; D66-Q71 PolarHBondContact N-O 3.01Å; D66-Q71 PolarHBondContact O-N 3.43Å; D66-F73 HydrophobicContact CB-CE2 3.89Å; D66-F73 HydrophobicContact CB-CZ 4.39Å
67	N	95.5	Very high	94.7	Very high	70 Å²	70	52.6 Å²	52.6	37%	0.374	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-63.3	-33.3	-179	-65.2	-17.8	0	0	0	111.8	L23 T24 K65 K69 S70	L23-N67 VanDerWaalsContact CB-OD1 3.26Å; L23-N67 WeakPolarHBondContact CB-OD1 3.39Å; T24-N67 HydrophobicContact CG2-CB 4.4Å; T24-N67 WeakPolarHBondContact CG2-ND2 3Å; K65-N67 WeakPolarHBondContact CD-OD1 3.44Å; K65-N67 VanDerWaalsContact CE-OD1 3.29Å; K65-N67 WeakPolarHBondContact CE-OD1 3.36Å; N67-K69 PolarHBondContact O-N 3.38Å; N67-S70 PolarHBondContact O-N 2.85Å
68	S	95.1	Very high	95	Very high	105 Å²	105	55.2 Å²	55.2	73%	0.734	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-67.1	-28.7	-178.3	74.8	0	0	0	0	112.3	D66	D66-S68 VanDerWaalsContact C-N 3.25Å; D66-S68 PolarHBondContact O-N 2.93Å; D66-S68 WeakPolarHBondContact OD1-CB 3.46Å; D66-S68 PolarHBondContact OD1-N 3.26Å; D66-S68 PolarHBondContact OD1-OG 2.79Å
69	K	96.3	Very high	95.2	Very high	127 Å²	127	49 Å²	49	55%	0.552	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-101	-1.5	178.3	-62	-178.1	-168.5	164.8	0	113.5	D66 N67 Q71	D66-K69 HydrophobicContact CB-CB 4.37Å; D66-K69 PolarHBondContact O-N 3.05Å; D66-K69 PolarHBondContact OD1-N 3.38Å; D66-K69 WeakPolarHBondContact OD2-CD 3.37Å; D66-K69 VanDerWaalsContact OD2-CE 3.27Å; D66-K69 WeakPolarHBondContact OD2-CE 3.25Å; D66-K69 WeakPolarHBondContact OD2-CG 3.45Å; D66-K69 IonicContact OD2-NZ 3.59Å; N67-K69 PolarHBondContact O-N 3.38Å; K69-Q71 HydrophobicContact CB-CB 4.27Å; K69-Q71 HydrophobicContact CB-CG 4.09Å; K69-Q71 PolarHBondContact O-N 3.29Å
70	S	95.8	Very high	95.2	Very high	42 Å²	42	48.2 Å²	48.2	29%	0.294	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	44.4	-170.9	-59.1	0	0	0	0	111.9	T17 V18 D66 N67	T17-S70 WeakPolarHBondContact CA-O 3.5Å; V18-S70 WeakPolarHBondContact CG2-O 3.42Å; V18-S70 PolarHBondContact N-O 2.87Å; V18-S70 WeakPolarHBondContact O-CB 3.26Å; D66-S70 PolarHBondContact O-N 2.98Å; D66-S70 VanDerWaalsContact O-N 3.08Å; N67-S70 PolarHBondContact O-N 2.85Å
71	Q	97.4	Very high	95.1	Very high	45 Å²	45	50.1 Å²	50.1	21%	0.21	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.9	-176.8	-77.1	175.3	-8.4	0	0	112.3	T15 C16 T17 L23 K65 D66 K69 F73	T15-Q71 HydrophobicContact CG2-CB 4.19Å; T15-Q71 HydrophobicContact CG2-CG 3.89Å; C16-Q71 CarbonylContact O-C 3.52Å; C16-Q71 WeakPolarHBondContact O-CA 3.27Å; T17-Q71 HydrophobicContact CG2-CG 4.38Å; T17-Q71 PolarHBondContact OG1-NE2 3.04Å; L23-Q71 WeakPolarHBondContact CD1-O 3.25Å; K65-Q71 CarbonylContact C-O 3.49Å; K65-Q71 VanDerWaalsContact CA-O 3.27Å; K65-Q71 WeakPolarHBondContact CA-O 3.18Å; K65-Q71 WeakPolarHBondContact CB-O 3.06Å; D66-Q71 PolarHBondContact N-O 3.01Å; D66-Q71 PolarHBondContact O-N 3.43Å; K69-Q71 HydrophobicContact CB-CB 4.27Å; K69-Q71 HydrophobicContact CB-CG 4.09Å; K69-Q71 PolarHBondContact O-N 3.29Å; Q71-F73 HydrophobicContact CB-CE1 4.21Å; Q71-F73 HydrophobicContact CB-CE2 3.97Å; Q71-F73 HydrophobicContact CB-CZ 3.6Å
72	V	97.2	Very high	95	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.7	170.7	-175	0	0	0	0	108.2	C16 L23 V28 W30 I45 I63 S64 K65	C16-V72 PolarHBondContact N-O 3.16Å; C16-V72 PolarHBondContact O-N 3.09Å; L23-V72 HydrophobicContact CD1-CG2 3.82Å; L23-V72 HydrophobicContact CD2-CG2 3.63Å; L23-V72 HydrophobicContact CG-CG2 4.41Å; V28-V72 HydrophobicContact CB-CG1 4.34Å; V28-V72 HydrophobicContact CB-CG2 3.97Å; V28-V72 HydrophobicContact CG1-CB 4.36Å; V28-V72 HydrophobicContact CG1-CG1 4.28Å; V28-V72 HydrophobicContact CG1-CG2 4.23Å; V28-V72 HydrophobicContact CG2-CG2 3.83Å; W30-V72 HydrophobicContact CZ2-CG1 4.26Å; I45-V72 HydrophobicContact CG2-CG1 3.73Å; I63-V72 HydrophobicContact CG2-CG1 4.21Å; S64-V72 CarbonylContact O-C 3.59Å; S64-V72 WeakPolarHBondContact O-CA 3.46Å; S64-V72 WeakPolarHBondContact O-CG1 3.11Å; K65-V72 HydrophobicContact CB-CG2 4.13Å
73	F	97.4	Very high	94.8	Very high	41 Å²	41	52.3 Å²	52.3	18%	0.18	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.5	-175.5	-51	-84.6	0	0	0	110.2	I14 T15 I63 S64 D66 Q71	I14-F73 CarbonylContact O-C 3.52Å; I14-F73 WeakPolarHBondContact O-CA 3.43Å; T15-F73 HydrophobicContact CG2-CD1 4.01Å; T15-F73 HydrophobicContact CG2-CE1 3.66Å; T15-F73 HydrophobicContact CG2-CZ 4.5Å; T15-F73 WeakPolarHBondContact OG1-CD1 3.49Å; T15-F73 WeakPolarHBondContact OG1-CE1 3.39Å; I63-F73 WeakPolarHBondContact CA-O 3.09Å; S64-F73 PolarHBondContact N-O 3.3Å; S64-F73 PolarHBondContact O-N 3.49Å; D66-F73 HydrophobicContact CB-CE2 3.89Å; D66-F73 HydrophobicContact CB-CZ 4.39Å; Q71-F73 HydrophobicContact CB-CE1 4.21Å; Q71-F73 HydrophobicContact CB-CE2 3.97Å; Q71-F73 HydrophobicContact CB-CZ 3.6Å
74	L	97.1	Very high	94.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	106.6	166.1	176	68.2	0	0	0	108.2	S13 I14 W30 L42 L61 I63 M76 Y87	S13-L74 CarbonylContact C-O 3.38Å; S13-L74 WeakPolarHBondContact CA-O 3.22Å; I14-L74 HydrophobicContact CB-CB 4.46Å; I14-L74 HydrophobicContact CD1-CD2 4.45Å; I14-L74 PolarHBondContact N-O 2.81Å; I14-L74 PolarHBondContact O-N 2.89Å; W30-L74 HydrophobicContact CB-CD2 4.29Å; W30-L74 HydrophobicContact CD2-CB 3.63Å; W30-L74 HydrophobicContact CD2-CD2 4Å; W30-L74 HydrophobicContact CD2-CG 4.32Å; W30-L74 HydrophobicContact CE3-CB 3.99Å; W30-L74 HydrophobicContact CE3-CD2 3.9Å; W30-L74 HydrophobicContact CG-CB 4.08Å; W30-L74 HydrophobicContact CG-CD1 4.3Å; W30-L74 HydrophobicContact CG-CD2 4.18Å; W30-L74 HydrophobicContact CG-CG 4.43Å; W30-L74 HydrophobicContact CH2-CB 4.1Å; W30-L74 HydrophobicContact CZ2-CB 3.76Å; W30-L74 HydrophobicContact CZ3-CB 4.21Å; L42-L74 HydrophobicContact CD1-CD2 3.68Å; L61-L74 HydrophobicContact CD2-CD1 4.22Å; I63-L74 HydrophobicContact CG1-CD1 3.85Å; L74-M76 HydrophobicContact CD2-CG 4.3Å; L74-M76 HydrophobicContact CD2-SD 4.14Å; L74-M76 HydrophobicContact CG-CG 4.03Å; L74-Y87 HydrophobicContact CD2-CD1 3.84Å; L74-Y87 HydrophobicContact CD2-CE1 4.2Å
75	K	95.6	Very high	94.7	Very high	103 Å²	103	50.6 Å²	50.6	45%	0.448	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.8	171.8	-173	177.3	-176.9	-176.7	0	109.4	L12 L61 S62 N77	L12-K75 CarbonylContact O-C 3.55Å; L12-K75 WeakPolarHBondContact O-CA 3.42Å; L61-K75 CarbonylContact C-O 3.6Å; L61-K75 WeakPolarHBondContact CA-O 3.01Å; S62-K75 PolarHBondContact N-O 2.95Å; S62-K75 PolarHBondContact O-N 2.65Å; K75-N77 VanDerWaalsContact CE-OD1 3.25Å; K75-N77 WeakPolarHBondContact CE-OD1 3.04Å
76	M	94.1	Very high	94.7	Very high	2 Å²	2	53 Å²	53	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.4	175.9	-54.4	-170.5	-77.4	0	0	108.1	S11 L12 I14 R60 L61 L74 L79 Y87	S11-M76 CarbonylContact C-O 3.54Å; S11-M76 WeakPolarHBondContact CA-O 3.14Å; L12-M76 HydrophobicContact CD2-CE 3.99Å; L12-M76 PolarHBondContact N-O 2.86Å; L12-M76 PolarHBondContact O-N 2.73Å; I14-M76 HydrophobicContact CD1-CE 3.63Å; I14-M76 HydrophobicContact CG1-CE 4.18Å; R60-M76 WeakPolarHBondContact O-CA 2.97Å; L61-M76 HydrophobicContact CD2-CB 4.15Å; L61-M76 HydrophobicContact CD2-CG 3.52Å; L61-M76 HydrophobicContact CD2-SD 4.1Å; L74-M76 HydrophobicContact CD2-CG 4.3Å; L74-M76 HydrophobicContact CD2-SD 4.14Å; L74-M76 HydrophobicContact CG-CG 4.03Å; M76-L79 HydrophobicContact CB-CD2 3.93Å; M76-L79 HydrophobicContact CE-CD2 4.1Å; M76-L79 HydrophobicContact SD-CD2 4.4Å; M76-Y87 HydrophobicContact CE-CD1 4.35Å; M76-Y87 HydrophobicContact CE-CE1 3.77Å; M76-Y87 HydrophobicContact CE-CE2 4.27Å; M76-Y87 HydrophobicContact SD-CD1 4.32Å; M76-Y87 HydrophobicContact SD-CE1 3.44Å; M76-Y87 WeakPolarHBondContact SD-CE1 3.38Å
77	N	93	Very high	94.6	Very high	51 Å²	51	51.1 Å²	51.1	27%	0.273	27%	0.27	S	S	.	.			trans	-104.1	153.4	176.8	-55	-50.2	0	0	0	109.9	S11 R60 K75 L79	S11-N77 PolarHBondContact OG-OD1 2.89Å; R60-N77 PolarHBondContact O-N 2.88Å; K75-N77 VanDerWaalsContact CE-OD1 3.25Å; K75-N77 WeakPolarHBondContact CE-OD1 3.04Å; N77-L79 PolarHBondContact O-N 2.82Å
78	S	91.3	Very high	94.7	Very high	69 Å²	69	49.5 Å²	49.5	48%	0.483	26%	0.259	S	S	.	.	S	Bend	trans	51.9	58.8	176.9	-55.7	0	0	0	0	111.6	Q10 R60	Q10-S78 PolarHBondContact O-N 2.84Å; R60-S78 PolarHBondContact NH1-O 3.01Å; R60-S78 VanDerWaalsContact NH1-O 3.09Å
79	L	91.3	Very high	94.7	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	23%	0.229	C	C	.	.			trans	-58.3	140.4	-179.6	-77.6	169.2	0	0	0	111.8	V6 P8 S9 Q10 L12 M76 N77 D83 V111	V6-L79 HydrophobicContact CB-CD1 4Å; V6-L79 HydrophobicContact CG1-CD1 3.46Å; V6-L79 VanDerWaalsContact CG1-CD1 3.46Å; P8-L79 WeakPolarHBondContact CA-O 3.35Å; S9-L79 PolarHBondContact N-O 2.76Å; Q10-L79 WeakPolarHBondContact O-CG 3.35Å; Q10-L79 PolarHBondContact O-N 2.79Å; L12-L79 HydrophobicContact CB-CD1 3.73Å; M76-L79 HydrophobicContact CB-CD2 3.93Å; M76-L79 HydrophobicContact CE-CD2 4.1Å; M76-L79 HydrophobicContact SD-CD2 4.4Å; N77-L79 PolarHBondContact O-N 2.82Å; L79-D83 HydrophobicContact CD2-CB 3.82Å; L79-V111 HydrophobicContact CB-CG1 4.23Å; L79-V111 HydrophobicContact CB-CG2 4.23Å; L79-V111 HydrophobicContact CD1-CG2 4.26Å; L79-V111 HydrophobicContact CD2-CG2 4.27Å
80	Q	92	Very high	94.5	Very high	96 Å²	96	39.4 Å²	39.4	45%	0.449	20%	0.204	S	C	.	.			trans	-115.6	157.9	176.2	-62.1	176.8	-14.4	0	0	109	D82 D83 V111	Q80-D82 PolarHBondContact O-N 2.86Å; Q80-D82 VanDerWaalsContact O-N 3.16Å; Q80-D83 PolarHBondContact N-OD2 3.05Å; Q80-D83 VanDerWaalsContact O-CB 3.29Å; Q80-D83 WeakPolarHBondContact O-CB 3.39Å; Q80-D83 PolarHBondContact O-N 2.02Å; Q80-V111 WeakPolarHBondContact O-CB 3.27Å; Q80-V111 WeakPolarHBondContact O-CG1 3.19Å
81	T	91	Very high	94.3	Very high	75 Å²	75	39.1 Å²	39.1	46%	0.46	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-55.3	-33.4	175.4	47.5	0	0	0	0	112.2	D83 T84	T81-D83 PolarHBondContact O-N 2.85Å; T81-T84 VanDerWaalsContact O-CB 3.24Å; T81-T84 WeakPolarHBondContact O-CB 3.4Å; T81-T84 PolarHBondContact O-N 2.8Å; T81-T84 PolarHBondContact O-OG1 2.82Å
82	D	90.8	Very high	93.6	Very high	113 Å²	113	37.7 Å²	37.7	60%	0.604	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-68.3	-13.4	177.4	-71	9.2	0	0	0	113.6	Q80 T84	Q80-D82 PolarHBondContact O-N 2.86Å; Q80-D82 VanDerWaalsContact O-N 3.16Å; D82-T84 PolarHBondContact O-N 2.86Å
83	D	92.8	Very high	92.3	Very high	3 Å²	3	40 Å²	40	2%	0.016	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-80.8	-0.4	171.6	-59.3	-43.7	0	0	0	112.2	R32 R60 L79 Q80 T81 A85 Y87 V111	R32-D83 IonicContact CZ-OD1 3.38Å; R32-D83 IonicContact NH1-OD1 2.86Å; R32-D83 PolarHBondContact NH1-OD1 3.11Å; R60-D83 IonicContact CZ-OD1 3.79Å; R60-D83 IonicContact CZ-OD2 3.54Å; R60-D83 IonicContact NH1-OD1 3.67Å; R60-D83 IonicContact NH1-OD2 2.72Å; R60-D83 PolarHBondContact NH1-OD2 2.9Å; R60-D83 IonicContact NH2-OD1 2.73Å; R60-D83 PolarHBondContact NH2-OD1 3.27Å; R60-D83 IonicContact NH2-OD2 3.23Å; R60-D83 PolarHBondContact NH2-OD2 2.84Å; L79-D83 HydrophobicContact CD2-CB 3.82Å; Q80-D83 PolarHBondContact N-OD2 3.05Å; Q80-D83 VanDerWaalsContact O-CB 3.29Å; Q80-D83 WeakPolarHBondContact O-CB 3.39Å; Q80-D83 PolarHBondContact O-N 2.02Å; T81-D83 PolarHBondContact O-N 2.85Å; D83-A85 PolarHBondContact O-N 3.44Å; D83-A85 VanDerWaalsContact O-N 3.11Å; D83-Y87 WeakPolarHBondContact O-CE2 3.34Å; D83-Y87 PolarHBondContact O-OH 2.95Å; D83-V111 HydrophobicContact CB-CG2 4.44Å
84	T	95	Very high	90.6	Very high	31 Å²	31	41.2 Å²	41.2	19%	0.19	23%	0.227	C	C	.	.			trans	-63.7	110.8	169.7	-65.1	0	0	0	0	110.2	P35 T81 D82 V109 T110 V111	P35-T84 VanDerWaalsContact CD-O 3.27Å; P35-T84 WeakPolarHBondContact CD-O 3.47Å; P35-T84 HydrophobicContact CG-CG2 4.47Å; T81-T84 VanDerWaalsContact O-CB 3.24Å; T81-T84 WeakPolarHBondContact O-CB 3.4Å; T81-T84 PolarHBondContact O-N 2.8Å; T81-T84 PolarHBondContact O-OG1 2.82Å; D82-T84 PolarHBondContact O-N 2.86Å; T84-V109 WeakPolarHBondContact CA-O 3.49Å; T84-T110 HydrophobicContact CG2-CG2 4.44Å; T84-V111 PolarHBondContact OG1-N 2.91Å; T84-V111 PolarHBondContact OG1-O 3.32Å
85	A	95.9	Very high	88.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	166.5	-176.3	0	0	0	0	0	111.1	R32 Q33 P34 D83 Y87 V109	R32-A85 HydrophobicContact CB-CB 3.9Å; R32-A85 HydrophobicContact CG-CB 4.3Å; Q33-A85 WeakPolarHBondContact O-CA 3.43Å; Q33-A85 WeakPolarHBondContact O-CB 3.32Å; P34-A85 HydrophobicContact CB-CB 4.45Å; P34-A85 HydrophobicContact CG-CB 4.33Å; D83-A85 PolarHBondContact O-N 3.44Å; D83-A85 VanDerWaalsContact O-N 3.11Å; A85-Y87 HydrophobicContact CB-CD2 4.28Å; A85-Y87 HydrophobicContact CB-CE2 3.73Å; A85-Y87 VanDerWaalsContact O-CD2 3.3Å; A85-Y87 WeakPolarHBondContact O-CD2 3.35Å; A85-Y87 WeakPolarHBondContact O-CE2 3.48Å; A85-V109 PolarHBondContact N-O 2.68Å; A85-V109 VanDerWaalsContact N-O 3.11Å; A85-V109 PolarHBondContact O-N 2.6Å
86	R	96.9	Very high	86.5	Confident	96 Å²	96	52.8 Å²	52.8	36%	0.362	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	124.2	161.4	-172.1	168.8	-77.4	-96.1	1.3	109.2	R32 Q33 Y88 Q105 G106 T107	R32-R86 CarbonylContact C-O 3.44Å; R32-R86 VanDerWaalsContact CA-O 3.26Å; R32-R86 WeakPolarHBondContact CA-O 3.39Å; Q33-R86 PolarHBondContact N-O 3.11Å; Q33-R86 PolarHBondContact O-N 2.88Å; R86-Y88 HydrophobicContact CB-CE2 4.06Å; R86-Y88 VanDerWaalsContact CD-CZ 3.42Å; R86-Y88 WeakPolarHBondContact CD-OH 3.48Å; R86-Y88 HydrophobicContact CG-CE1 3.83Å; R86-Y88 HydrophobicContact CG-CE2 3.87Å; R86-Y88 VanDerWaalsContact CG-CZ 3.49Å; R86-Y88 WeakPolarHBondContact O-CE2 3.39Å; R86-Q105 PolarHBondContact NH1-O 3.29Å; R86-G106 PolarHBondContact NH1-O 2.98Å; R86-T107 WeakPolarHBondContact CA-O 3.34Å
87	Y	96.3	Very high	84.5	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.008	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.8	-177.5	-71.3	-99.5	0	0	0	110.2	I14 V31 R32 L42 L74 M76 D83 A85 G106 T107 V109	I14-Y87 HydrophobicContact CD1-CD1 3.75Å; I14-Y87 HydrophobicContact CD1-CD2 3.86Å; I14-Y87 HydrophobicContact CD1-CE1 4.4Å; I14-Y87 HydrophobicContact CD1-CG 3.45Å; I14-Y87 VanDerWaalsContact CD1-CG 3.45Å; V31-Y87 CarbonylContact O-C 3.43Å; R32-Y87 HydrophobicContact CB-CD1 3.85Å; R32-Y87 HydrophobicContact CB-CE1 3.8Å; R32-Y87 HydrophobicContact CB-CG 4.28Å; R32-Y87 HydrophobicContact CG-CE1 4.48Å; L42-Y87 HydrophobicContact CD1-CD1 3.78Å; L42-Y87 HydrophobicContact CD1-CE1 3.68Å; L74-Y87 HydrophobicContact CD2-CD1 3.84Å; L74-Y87 HydrophobicContact CD2-CE1 4.2Å; M76-Y87 HydrophobicContact CE-CD1 4.35Å; M76-Y87 HydrophobicContact CE-CE1 3.77Å; M76-Y87 HydrophobicContact CE-CE2 4.27Å; M76-Y87 HydrophobicContact SD-CD1 4.32Å; M76-Y87 HydrophobicContact SD-CE1 3.44Å; M76-Y87 WeakPolarHBondContact SD-CE1 3.38Å; D83-Y87 WeakPolarHBondContact O-CE2 3.34Å; D83-Y87 PolarHBondContact O-OH 2.95Å; A85-Y87 HydrophobicContact CB-CD2 4.28Å; A85-Y87 HydrophobicContact CB-CE2 3.73Å; A85-Y87 VanDerWaalsContact O-CD2 3.3Å; A85-Y87 WeakPolarHBondContact O-CD2 3.35Å; A85-Y87 WeakPolarHBondContact O-CE2 3.48Å; Y87-G106 CarbonylContact O-C 3.57Å; Y87-G106 WeakPolarHBondContact O-CA 3.26Å; Y87-T107 PolarHBondContact N-O 2.9Å; Y87-T107 PolarHBondContact O-N 3.37Å; Y87-V109 HydrophobicContact CD2-CB 3.88Å; Y87-V109 HydrophobicContact CD2-CG2 3.71Å; Y87-V109 HydrophobicContact CE2-CB 3.74Å; Y87-V109 HydrophobicContact CE2-CG1 4.43Å; Y87-V109 HydrophobicContact CE2-CG2 4Å
88	Y	95.9	Very high	82.6	Confident	36 Å²	36	60.6 Å²	60.6	14%	0.141	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	144.2	-179.2	-51.4	-90.3	0	0	0	109.8	W30 V31 Q33 L39 R86 W103 G106	W30-Y88 WeakPolarHBondContact CA-O 3.45Å; V31-Y88 PolarHBondContact N-O 2.86Å; V31-Y88 PolarHBondContact O-N 3Å; Q33-Y88 HydrophobicContact CB-CE2 3.83Å; Q33-Y88 PolarHBondContact OE1-OH 2.96Å; L39-Y88 HydrophobicContact CD2-CD2 4.35Å; L39-Y88 HydrophobicContact CD2-CE2 4.13Å; R86-Y88 HydrophobicContact CB-CE2 4.06Å; R86-Y88 VanDerWaalsContact CD-CZ 3.42Å; R86-Y88 WeakPolarHBondContact CD-OH 3.48Å; R86-Y88 HydrophobicContact CG-CE1 3.83Å; R86-Y88 HydrophobicContact CG-CE2 3.87Å; R86-Y88 VanDerWaalsContact CG-CZ 3.49Å; R86-Y88 WeakPolarHBondContact O-CE2 3.39Å; Y88-W103 HydrophobicContact CD1-CE3 4.38Å; Y88-W103 HydrophobicContact CD2-CZ3 4.26Å; Y88-W103 AromaticContact CG-CE3 3.96Å; Y88-W103 HydrophobicContact CG-CE3 3.96Å; Y88-W103 HydrophobicContact CG-CZ3 4.09Å; Y88-G106 VanDerWaalsContact CD1-CA 3.45Å
89	C	94.8	Very high	81	Confident	17 Å²	17	68.2 Å²	68.2	12%	0.115	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	144.1	160.4	56.4	0	0	0	0	109.1	C16 V28 N29 W30 G104	C16-C89 HydrophobicContact CB-CB 3.45Å; C16-C89 VanDerWaalsContact CB-CB 3.45Å; C16-C89 WeakPolarHBondContact CB-SG 3.27Å; C16-C89 WeakPolarHBondContact SG-CB 3.47Å; C16-C89 CovalentContact SG-SG 2.02Å; C16-C89 PolarHBondContact SG-SG 2.79Å; V28-C89 HydrophobicContact CG1-CB 3.93Å; N29-C89 CarbonylContact O-C 3.59Å; N29-C89 VanDerWaalsContact O-CA 3.22Å; N29-C89 WeakPolarHBondContact O-CA 3.34Å; W30-C89 HydrophobicContact CD2-CB 4.47Å; W30-C89 HydrophobicContact CE3-CB 4.23Å; W30-C89 HydrophobicContact CH2-CB 4.26Å; W30-C89 HydrophobicContact CZ2-CB 4.47Å; W30-C89 HydrophobicContact CZ3-CB 4.13Å; C89-G104 PolarHBondContact O-N 3.08Å
90	A	93.4	Very high	79.7	Confident	2 Å²	2	71 Å²	71	2%	0.017	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	141.6	177.1	0	0	0	0	0	112.3	V28 N29 F100 Y102 W103	V28-A90 CarbonylContact C-O 3.59Å; V28-A90 WeakPolarHBondContact CA-O 3.46Å; N29-A90 PolarHBondContact N-O 3.14Å; N29-A90 PolarHBondContact O-N 3.17Å; A90-F100 HydrophobicContact CB-CB 3.9Å; A90-F100 HydrophobicContact CB-CD1 4.06Å; A90-F100 HydrophobicContact CB-CG 4.14Å; A90-Y102 CarbonylContact C-O 3.59Å; A90-Y102 WeakPolarHBondContact CA-O 3.46Å; A90-Y102 WeakPolarHBondContact CB-O 3.5Å; A90-W103 HydrophobicContact CB-CD2 3.81Å; A90-W103 HydrophobicContact CB-CE3 4.16Å; A90-W103 HydrophobicContact CB-CG 4.08Å; A90-W103 HydrophobicContact CB-CZ2 4.47Å
91	R	91	Very high	78.6	Confident	36 Å²	36	68.3 Å²	68.3	14%	0.136	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	134.6	177.9	-168.6	179.3	77.7	175.8	7.4	110.6	F21 Y26 D93 Y102	F21-R91 HydrophobicContact CD1-CG 4.19Å; F21-R91 HydrophobicContact CD2-CG 4.27Å; F21-R91 HydrophobicContact CE1-CB 4.05Å; F21-R91 HydrophobicContact CE1-CG 3.88Å; F21-R91 HydrophobicContact CE2-CG 3.94Å; F21-R91 HydrophobicContact CG-CG 4.36Å; F21-R91 HydrophobicContact CZ-CB 4Å; F21-R91 HydrophobicContact CZ-CG 3.73Å; Y26-R91 HydrophobicContact CD1-CG 4.35Å; R91-D93 IonicContact CZ-OD1 3.09Å; R91-D93 IonicContact CZ-OD2 3.91Å; R91-D93 IonicContact NE-OD1 2.65Å; R91-D93 PolarHBondContact NE-OD1 2.79Å; R91-D93 IonicContact NH2-OD1 2.81Å; R91-D93 PolarHBondContact NH2-OD1 3.41Å; R91-D93 IonicContact NH2-OD2 2.89Å; R91-D93 PolarHBondContact NH2-OD2 2.99Å; R91-Y102 VanDerWaalsContact CZ-CD2 3.4Å; R91-Y102 PolarHBondContact N-O 2.75Å
92	D	83.1	Confident	78.2	Confident	16 Å²	16	71.8 Å²	71.8	9%	0.086	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	119.3	168.7	-159.1	-33.5	0	0	0	109.3	G27 N29 R44 G94	G27-D92 WeakPolarHBondContact O-CB 3.5Å; G27-D92 PolarHBondContact O-N 2.8Å; N29-D92 VanDerWaalsContact ND2-CB 3.27Å; N29-D92 WeakPolarHBondContact ND2-CB 3.29Å; N29-D92 PolarHBondContact ND2-OD2 3.32Å; R44-D92 WeakPolarHBondContact CD-OD2 3.42Å; R44-D92 IonicContact CZ-OD2 3.77Å; R44-D92 IonicContact NE-OD2 3.94Å; R44-D92 IonicContact NH1-OD2 2.84Å; R44-D92 PolarHBondContact NH1-OD2 2.7Å; D92-G94 VanDerWaalsContact C-N 3.31Å; D92-G94 PolarHBondContact OD1-N 2.8Å
93	D	70.6	Confident	78.2	Confident	48 Å²	48	71.2 Å²	71.2	26%	0.257	34%	0.336	S	S	.	.			trans	-88.7	4.3	-179.8	-87.7	18.2	0	0	0	113.4	R91 N95 A98 A101	R91-D93 IonicContact CZ-OD1 3.09Å; R91-D93 IonicContact CZ-OD2 3.91Å; R91-D93 IonicContact NE-OD1 2.65Å; R91-D93 PolarHBondContact NE-OD1 2.79Å; R91-D93 IonicContact NH2-OD1 2.81Å; R91-D93 PolarHBondContact NH2-OD1 3.41Å; R91-D93 IonicContact NH2-OD2 2.89Å; R91-D93 PolarHBondContact NH2-OD2 2.99Å; D93-N95 PolarHBondContact O-N 3.41Å; D93-A98 HydrophobicContact CB-CB 3.78Å; D93-A101 VanDerWaalsContact CG-CB 3.47Å; D93-A101 WeakPolarHBondContact OD2-CB 3.47Å
94	G	60.1	Low	78.1	Confident	67 Å²	67	72.4 Å²	72.4	69%	0.691	35%	0.35	S	S	*	.			trans	66.4	-2	171.3	0	0	0	0	0	115.3	D92	D92-G94 VanDerWaalsContact C-N 3.31Å; D92-G94 PolarHBondContact OD1-N 2.8Å
95	N	57.3	Low	77.9	Confident	113 Å²	113	79.4 Å²	79.4	60%	0.604	38%	0.38	S	S	*	.			trans	-98.5	128.6	178.3	-135.2	-25.2	0	0	0	108.7	D93 F97 A98	D93-N95 PolarHBondContact O-N 3.41Å; N95-F97 PolarHBondContact O-N 2.86Å; N95-A98 HydrophobicContact CB-CB 3.76Å; N95-A98 PolarHBondContact O-N 3.47Å
96	Y	50.9	Low	77.8	Confident	232 Å²	232	80.3 Å²	80.3	91%	0.91	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-15.8	-179.4	-94.2	-91.4	0	0	0	114
97	F	51.1	Low	77.7	Confident	180 Å²	180	77.7 Å²	77.7	79%	0.789	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	-2.9	-179	-59.6	-80.2	0	0	0	114.8	N95 W99	N95-F97 PolarHBondContact O-N 2.86Å; F97-W99 VanDerWaalsContact O-CD1 3.22Å; F97-W99 PolarHBondContact O-N 3.21Å
98	A	52.2	Low	77.6	Confident	38 Å²	38	81.8 Å²	81.8	31%	0.314	41%	0.406	S	S	.	.			trans	-98.1	95.2	-178.5	0	0	0	0	0	110.5	D93 N95 F100	D93-A98 HydrophobicContact CB-CB 3.78Å; N95-A98 HydrophobicContact CB-CB 3.76Å; N95-A98 PolarHBondContact O-N 3.47Å; A98-F100 PolarHBondContact O-N 2.77Å
99	W	58.3	Low	77.4	Confident	228 Å²	228	80 Å²	80	86%	0.864	40%	0.399	S	S	*	.			trans	-60.8	125.7	172.5	-57.3	71.7	0	0	0	109	F97 A101	F97-W99 VanDerWaalsContact O-CD1 3.22Å; F97-W99 PolarHBondContact O-N 3.21Å; W99-A101 PolarHBondContact O-N 3.19Å; W99-A101 VanDerWaalsContact O-N 3.09Å
100	F	65.2	Low	77.3	Confident	62 Å²	62	81.8 Å²	81.8	27%	0.272	41%	0.409	S	S	.	.			trans	2.9	91.1	170.9	-55.1	-56.4	0	0	0	115.5	N29 V31 A90 A98 Y102 W103	N29-F100 HydrophobicContact CB-CD1 3.89Å; N29-F100 HydrophobicContact CB-CE1 3.47Å; N29-F100 VanDerWaalsContact CB-CE1 3.47Å; N29-F100 HydrophobicContact CB-CZ 4.36Å; N29-F100 WeakPolarHBondContact ND2-CE1 3.29Å; N29-F100 WeakPolarHBondContact OD1-CE1 3.4Å; V31-F100 HydrophobicContact CG2-CZ 4.48Å; A90-F100 HydrophobicContact CB-CB 3.9Å; A90-F100 HydrophobicContact CB-CD1 4.06Å; A90-F100 HydrophobicContact CB-CG 4.14Å; A98-F100 PolarHBondContact O-N 2.77Å; F100-Y102 PolarHBondContact O-N 3.03Å; F100-W103 HydrophobicContact CB-CZ2 3.75Å; F100-W103 VanDerWaalsContact CB-NE1 3.26Å; F100-W103 HydrophobicContact CD2-CH2 4.15Å; F100-W103 AromaticContact CD2-CZ2 3.42Å; F100-W103 HydrophobicContact CD2-CZ2 3.42Å; F100-W103 VanDerWaalsContact CD2-CZ2 3.42Å; F100-W103 HydrophobicContact CE2-CZ2 4.22Å; F100-W103 AromaticContact CG-CZ2 3.77Å; F100-W103 HydrophobicContact CG-CZ2 3.77Å; F100-W103 PolarHBondContact O-NE1 3.35Å
101	A	68.4	Low	77.2	Confident	40 Å²	40	81.9 Å²	81.9	33%	0.331	41%	0.41	S	S	.	.			trans	-70.2	-32.8	-167.7	0	0	0	0	0	114.2	D93 W99	D93-A101 VanDerWaalsContact CG-CB 3.47Å; D93-A101 WeakPolarHBondContact OD2-CB 3.47Å; W99-A101 PolarHBondContact O-N 3.19Å; W99-A101 VanDerWaalsContact O-N 3.09Å
102	Y	82.6	Confident	77	Confident	148 Å²	148	82.5 Å²	82.5	58%	0.58	42%	0.419	S	S	*	.			trans	-137.5	129.2	-179.6	-64.8	-77.6	0	0	0	110.7	A90 R91 F100	A90-Y102 CarbonylContact C-O 3.59Å; A90-Y102 WeakPolarHBondContact CA-O 3.46Å; A90-Y102 WeakPolarHBondContact CB-O 3.5Å; R91-Y102 VanDerWaalsContact CZ-CD2 3.4Å; R91-Y102 PolarHBondContact N-O 2.75Å; F100-Y102 PolarHBondContact O-N 3.03Å
103	W	90.4	Very high	76.6	Confident	100 Å²	100	88.7 Å²	88.7	38%	0.379	47%	0.473	S	S	.	.	B	Isolated β-bridge	trans	-109.7	139.3	179	-69.8	71.8	0	0	0	110.9	V31 L39 Y88 A90 F100	V31-W103 HydrophobicContact CB-CH2 3.92Å; V31-W103 HydrophobicContact CB-CZ3 3.75Å; V31-W103 HydrophobicContact CG1-CH2 3.88Å; V31-W103 HydrophobicContact CG1-CZ3 3.94Å; V31-W103 HydrophobicContact CG2-CH2 3.75Å; V31-W103 HydrophobicContact CG2-CZ3 3.99Å; L39-W103 HydrophobicContact CD1-CH2 4.04Å; L39-W103 HydrophobicContact CD2-CH2 4.48Å; L39-W103 HydrophobicContact CD2-CZ3 4.38Å; Y88-W103 HydrophobicContact CD1-CE3 4.38Å; Y88-W103 HydrophobicContact CD2-CZ3 4.26Å; Y88-W103 AromaticContact CG-CE3 3.96Å; Y88-W103 HydrophobicContact CG-CE3 3.96Å; Y88-W103 HydrophobicContact CG-CZ3 4.09Å; A90-W103 HydrophobicContact CB-CD2 3.81Å; A90-W103 HydrophobicContact CB-CE3 4.16Å; A90-W103 HydrophobicContact CB-CG 4.08Å; A90-W103 HydrophobicContact CB-CZ2 4.47Å; F100-W103 HydrophobicContact CB-CZ2 3.75Å; F100-W103 VanDerWaalsContact CB-NE1 3.26Å; F100-W103 HydrophobicContact CD2-CH2 4.15Å; F100-W103 AromaticContact CD2-CZ2 3.42Å; F100-W103 HydrophobicContact CD2-CZ2 3.42Å; F100-W103 VanDerWaalsContact CD2-CZ2 3.42Å; F100-W103 HydrophobicContact CE2-CZ2 4.22Å; F100-W103 AromaticContact CG-CZ2 3.77Å; F100-W103 HydrophobicContact CG-CZ2 3.77Å; F100-W103 PolarHBondContact O-NE1 3.35Å
104	G	90.8	Very high	76.9	Confident	29 Å²	29	90.8 Å²	90.8	30%	0.299	48%	0.484	S	S	.	.			trans	-68.1	160.3	164.8	0	0	0	0	0	111.5	C89 G106	C89-G104 PolarHBondContact O-N 3.08Å; G104-G106 PolarHBondContact O-N 3.25Å
105	Q	91.7	Very high	77.8	Confident	178 Å²	178	92 Å²	92	83%	0.832	47%	0.473	S	S	*	.			trans	-61.5	-15.4	177.9	-66	-64.6	-39.4	0	0	114	R86	R86-Q105 PolarHBondContact NH1-O 3.29Å
106	G	92.6	Very high	78.9	Confident	19 Å²	19	90.8 Å²	90.8	20%	0.196	47%	0.465	C	S	.	.			trans	78.2	151.6	179.5	0	0	0	0	0	113.6	R86 Y87 Y88 G104	R86-G106 PolarHBondContact NH1-O 2.98Å; Y87-G106 CarbonylContact O-C 3.57Å; Y87-G106 WeakPolarHBondContact O-CA 3.26Å; Y88-G106 VanDerWaalsContact CD1-CA 3.45Å; G104-G106 PolarHBondContact O-N 3.25Å
107	T	94.4	Very high	80.6	Confident	41 Å²	41	82.5 Å²	82.5	25%	0.252	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.3	-177.7	-64	0	0	0	0	108.6	P3 R86 Y87 V109	P3-T107 HydrophobicContact CG-CG2 3.66Å; R86-T107 WeakPolarHBondContact CA-O 3.34Å; Y87-T107 PolarHBondContact N-O 2.9Å; Y87-T107 PolarHBondContact O-N 3.37Å; T107-V109 HydrophobicContact CG2-CG2 4.41Å; T107-V109 PolarHBondContact O-N 2.97Å
108	L	94.5	Very high	82.4	Confident	87 Å²	87	76.4 Å²	76.4	46%	0.455	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	126.2	172	-179.4	63.5	0	0	0	109
109	V	93	Very high	84.4	Confident	0 Å²	0	79 Å²	79	0%	0	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.7	169.9	175.9	0	0	0	0	107.6	P3 L12 I14 T84 A85 Y87 T107 V111	P3-V109 HydrophobicContact CG-CG2 4.41Å; L12-V109 HydrophobicContact CD2-CB 4.25Å; L12-V109 HydrophobicContact CD2-CG1 3.54Å; L12-V109 HydrophobicContact CD2-CG2 3.63Å; I14-V109 HydrophobicContact CD1-CG2 3.78Å; I14-V109 HydrophobicContact CG1-CG2 4.41Å; T84-V109 WeakPolarHBondContact CA-O 3.49Å; A85-V109 PolarHBondContact N-O 2.68Å; A85-V109 VanDerWaalsContact N-O 3.11Å; A85-V109 PolarHBondContact O-N 2.6Å; Y87-V109 HydrophobicContact CD2-CB 3.88Å; Y87-V109 HydrophobicContact CD2-CG2 3.71Å; Y87-V109 HydrophobicContact CE2-CB 3.74Å; Y87-V109 HydrophobicContact CE2-CG1 4.43Å; Y87-V109 HydrophobicContact CE2-CG2 4Å; T107-V109 HydrophobicContact CG2-CG2 4.41Å; T107-V109 PolarHBondContact O-N 2.97Å; V109-V111 HydrophobicContact CG1-CG2 4.23Å
110	T	92.8	Very high	86.3	Confident	53 Å²	53	68.4 Å²	68.4	33%	0.325	39%	0.393	S	S	.	.			trans	-115.8	123.2	176.3	-54.9	0	0	0	0	108.9	L5 V6 T84	L5-T110 HydrophobicContact CD1-CG2 3.83Å; V6-T110 PolarHBondContact N-O 3.34Å; T84-T110 HydrophobicContact CG2-CG2 4.44Å
111	V	90.1	Very high	87.9	Confident	5 Å²	5	68.8 Å²	68.8	3%	0.03	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-112.8	110.8	174.7	-173.2	0	0	0	0	108.1	V6 P8 L79 Q80 D83 T84 V109	V6-V111 WeakPolarHBondContact O-CA 3.4Å; P8-V111 HydrophobicContact CG-CG1 4.29Å; L79-V111 HydrophobicContact CB-CG1 4.23Å; L79-V111 HydrophobicContact CB-CG2 4.23Å; L79-V111 HydrophobicContact CD1-CG2 4.26Å; L79-V111 HydrophobicContact CD2-CG2 4.27Å; Q80-V111 WeakPolarHBondContact O-CB 3.27Å; Q80-V111 WeakPolarHBondContact O-CG1 3.19Å; D83-V111 HydrophobicContact CB-CG2 4.44Å; T84-V111 PolarHBondContact OG1-N 2.91Å; T84-V111 PolarHBondContact OG1-O 3.32Å; V109-V111 HydrophobicContact CG1-CG2 4.23Å
112	S	86.8	Confident	89.5	Confident	48 Å²	48	71.3 Å²	71.3	34%	0.336	41%	0.408	S	S	.	.			trans	-132.9	147.6	178.2	66.5	0	0	0	0	110.4	L5 P8	L5-S112 WeakPolarHBondContact CD1-OG 3.44Å; P8-S112 WeakPolarHBondContact CD-O 3.4Å
113	A	74.9	Confident	90.2	Very high	147 Å²	147	64.3 Å²	64.3	100%	1.215	39%	0.393	S	S	*	.			trans	-68.5	0	171.2	0	0	0	0	0	112

Retrieved 113 of 113 residues in 30.2 ms (Link to these results)

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