A0A5K4F959_SCHMA Loading...

IL4_i_Ig domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F959, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 134 aa.

						>A0A5K4F959_SCHMA|A0A5K4F959
MFLIAVLSYTLISQLGITTSDSCKYCLQLYDETYERGSYIEVYKSVGSLSPPWTPGSVCVPFVNDTKRERPYWYLFDNVNYTGRITGLGHGTCIDDFTKSGFEGISSIKRCIQTKDGKVECINQPKRRRTYCRF
					

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	M	45.8	Very low	49.6	Very low	218 Å²	218	119.8 Å²	119.8	100%	1.074	62%	0.62	S	S	*	*				0	88.8	0	-72.6	163.9	72.8	0	0	108.4
2	F	50.3	Low	49.9	Very low	191 Å²	191	115.2 Å²	115.2	84%	0.838	60%	0.596	S	S	*	*			trans	-89.9	1.8	-166.2	-92.6	-88.6	0	0	0	115
3	L	48	Very low	49.9	Very low	143 Å²	143	112.8 Å²	112.8	75%	0.749	60%	0.595	S	S	*	*	H	α-helix	trans	-76.6	-25.1	-175.5	-107	103.6	0	0	0	114.7
4	I	54.4	Low	50.1	Low	125 Å²	125	115.1 Å²	115.1	64%	0.641	60%	0.601	S	S	*	*	H	α-helix	trans	-74.6	-39.1	-174.2	-59	171.2	0	0	0	110.9	V6 L7 S8	I4-V6 VanDerWaalsContact C-N 3.34Å; I4-V6 PolarHBondContact O-N 3.38Å; I4-L7 PolarHBondContact O-N 3.2Å; I4-S8 PolarHBondContact O-N 3Å; I4-S8 PolarHBondContact O-OG 2.8Å
5	A	49.1	Very low	50.6	Low	47 Å²	47	111 Å²	111	39%	0.388	58%	0.58	S	S	.	*	H	α-helix	trans	-63.1	-39.5	-178.9	0	0	0	0	0	112.3	L7 S8 Y9	A5-L7 VanDerWaalsContact C-N 3.33Å; A5-L7 PolarHBondContact O-N 3.08Å; A5-S8 PolarHBondContact O-N 2.75Å; A5-S8 PolarHBondContact O-OG 3.44Å; A5-Y9 WeakPolarHBondContact O-CD2 3.36Å; A5-Y9 PolarHBondContact O-N 2.79Å; A5-Y9 VanDerWaalsContact O-N 3.08Å
6	V	49.2	Very low	51	Low	93 Å²	93	105.8 Å²	105.8	56%	0.564	56%	0.561	S	S	*	*	H	α-helix	trans	-67.3	-35.1	-177.2	-175	0	0	0	0	111.8	I4 T10	I4-V6 VanDerWaalsContact C-N 3.34Å; I4-V6 PolarHBondContact O-N 3.38Å; V6-T10 WeakPolarHBondContact O-CG2 3.38Å; V6-T10 PolarHBondContact O-N 3.19Å; V6-T10 PolarHBondContact O-OG1 2.86Å; V6-T10 VanDerWaalsContact O-OG1 3.14Å
7	L	44.4	Very low	51.2	Low	107 Å²	107	100.5 Å²	100.5	56%	0.56	53%	0.533	S	S	*	.	H	α-helix	trans	-65.8	-40.7	175.1	-92.4	150.2	0	0	0	111.8	I4 A5 T10 L11	I4-L7 PolarHBondContact O-N 3.2Å; A5-L7 VanDerWaalsContact C-N 3.33Å; A5-L7 PolarHBondContact O-N 3.08Å; L7-T10 PolarHBondContact O-OG1 3.07Å; L7-L11 PolarHBondContact O-N 3.42Å
8	S	53.9	Low	51.2	Low	53 Å²	53	99 Å²	99	37%	0.371	53%	0.528	S	S	.	.	H	α-helix	trans	-65.6	-45.6	176.1	2.6	0	0	0	0	111.7	I4 A5 T10 L11 I12	I4-S8 PolarHBondContact O-N 3Å; I4-S8 PolarHBondContact O-OG 2.8Å; A5-S8 PolarHBondContact O-N 2.75Å; A5-S8 PolarHBondContact O-OG 3.44Å; S8-T10 VanDerWaalsContact C-N 3.34Å; S8-T10 PolarHBondContact O-N 2.85Å; S8-L11 PolarHBondContact O-N 3.42Å; S8-I12 WeakPolarHBondContact O-CB 3.37Å; S8-I12 VanDerWaalsContact O-CD1 3.27Å; S8-I12 WeakPolarHBondContact O-CD1 3.48Å; S8-I12 WeakPolarHBondContact O-CG1 3.44Å; S8-I12 PolarHBondContact O-N 2.91Å
9	Y	48.9	Very low	51	Low	167 Å²	167	100.2 Å²	100.2	66%	0.655	54%	0.54	S	S	*	.	H	α-helix	trans	-62.2	-38.1	-179.3	-82.5	-74.1	0	0	0	113.1	A5 I12 S13	A5-Y9 WeakPolarHBondContact O-CD2 3.36Å; A5-Y9 PolarHBondContact O-N 2.79Å; A5-Y9 VanDerWaalsContact O-N 3.08Å; Y9-I12 PolarHBondContact O-N 3.43Å; Y9-S13 PolarHBondContact O-N 2.76Å; Y9-S13 PolarHBondContact O-OG 2.67Å
10	T	51.1	Low	50.6	Low	76 Å²	76	98.6 Å²	98.6	47%	0.466	54%	0.536	S	S	.	.	H	α-helix	trans	-69.1	-39	178.5	51.8	0	0	0	0	112.7	V6 L7 S8 S13 Q14	V6-T10 WeakPolarHBondContact O-CG2 3.38Å; V6-T10 PolarHBondContact O-N 3.19Å; V6-T10 PolarHBondContact O-OG1 2.86Å; V6-T10 VanDerWaalsContact O-OG1 3.14Å; L7-T10 PolarHBondContact O-OG1 3.07Å; S8-T10 VanDerWaalsContact C-N 3.34Å; S8-T10 PolarHBondContact O-N 2.85Å; T10-S13 PolarHBondContact O-N 2.83Å; T10-Q14 PolarHBondContact O-N 3.47Å
11	L	50.7	Low	50.6	Low	98 Å²	98	101.3 Å²	101.3	51%	0.513	55%	0.551	S	S	.	*	H	α-helix	trans	-64.9	-41.8	173.4	-92.9	143.8	0	0	0	112.3	L7 S8 S13 Q14 L15	L7-L11 PolarHBondContact O-N 3.42Å; S8-L11 PolarHBondContact O-N 3.42Å; L11-S13 VanDerWaalsContact C-N 3.35Å; L11-S13 PolarHBondContact O-N 2.9Å; L11-Q14 PolarHBondContact O-N 3.28Å; L11-L15 WeakPolarHBondContact O-CG 3.22Å; L11-L15 PolarHBondContact O-N 3.2Å
12	I	52.8	Low	51.3	Low	64 Å²	64	95.3 Å²	95.3	33%	0.328	53%	0.53	S	S	.	.	H	α-helix	trans	-63.2	-41.1	178.6	-69.1	165.8	0	0	0	110.9	S8 Y9 Q14 L15 G16 I17	S8-I12 WeakPolarHBondContact O-CB 3.37Å; S8-I12 VanDerWaalsContact O-CD1 3.27Å; S8-I12 WeakPolarHBondContact O-CD1 3.48Å; S8-I12 WeakPolarHBondContact O-CG1 3.44Å; S8-I12 PolarHBondContact O-N 2.91Å; Y9-I12 PolarHBondContact O-N 3.43Å; I12-Q14 PolarHBondContact O-N 3.4Å; I12-L15 PolarHBondContact O-N 2.76Å; I12-G16 PolarHBondContact O-N 3.18Å; I12-I17 HydrophobicContact CG2-CB 3.57Å; I12-I17 HydrophobicContact CG2-CD1 4.28Å; I12-I17 HydrophobicContact CG2-CG2 3.55Å; I12-I17 PolarHBondContact O-N 3.31Å
13	S	50.7	Low	52.7	Low	85 Å²	85	86.9 Å²	86.9	59%	0.594	50%	0.495	S	S	*	.	H	α-helix	trans	-64.3	-39.2	177.8	-51.6	0	0	0	0	112.4	Y9 T10 L11 L15 G16	Y9-S13 PolarHBondContact O-N 2.76Å; Y9-S13 PolarHBondContact O-OG 2.67Å; T10-S13 PolarHBondContact O-N 2.83Å; L11-S13 VanDerWaalsContact C-N 3.35Å; L11-S13 PolarHBondContact O-N 2.9Å; S13-L15 VanDerWaalsContact C-N 3.26Å; S13-L15 PolarHBondContact O-N 2.7Å; S13-G16 PolarHBondContact O-N 3.35Å; S13-G16 VanDerWaalsContact O-N 3.12Å
14	Q	52.7	Low	54.3	Low	145 Å²	145	86.8 Å²	86.8	68%	0.678	49%	0.488	S	S	*	.	H	α-helix	trans	-69.4	-25.5	177.1	-71.3	-176.1	-22.1	0	0	112.8	T10 L11 I12 G16 K44	T10-Q14 PolarHBondContact O-N 3.47Å; L11-Q14 PolarHBondContact O-N 3.28Å; I12-Q14 PolarHBondContact O-N 3.4Å; Q14-G16 VanDerWaalsContact C-N 3.26Å; Q14-K44 PolarHBondContact O-NZ 3.45Å
15	L	56.9	Low	55.9	Low	53 Å²	53	83.4 Å²	83.4	28%	0.277	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-0.4	173.4	-70.9	164.3	0	0	0	113.1	L11 I12 S13 I17 K44 V46	L11-L15 WeakPolarHBondContact O-CG 3.22Å; L11-L15 PolarHBondContact O-N 3.2Å; I12-L15 PolarHBondContact O-N 2.76Å; S13-L15 VanDerWaalsContact C-N 3.26Å; S13-L15 PolarHBondContact O-N 2.7Å; L15-I17 VanDerWaalsContact C-N 3.27Å; L15-I17 HydrophobicContact CB-CD1 3.61Å; L15-I17 HydrophobicContact CB-CG1 4Å; L15-I17 HydrophobicContact CD1-CD1 4.1Å; L15-I17 PolarHBondContact O-N 3.28Å; L15-K44 VanDerWaalsContact C-CE 3.45Å; L15-K44 WeakPolarHBondContact O-CE 3.48Å; L15-V46 HydrophobicContact CD2-CG1 4.21Å; L15-V46 HydrophobicContact CD2-CG2 4.36Å
16	G	57.2	Low	58	Low	27 Å²	27	81.2 Å²	81.2	28%	0.278	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	34.7	178.9	0	0	0	0	0	112.4	I12 S13 Q14 Y43	I12-G16 PolarHBondContact O-N 3.18Å; S13-G16 PolarHBondContact O-N 3.35Å; S13-G16 VanDerWaalsContact O-N 3.12Å; Q14-G16 VanDerWaalsContact C-N 3.26Å; G16-Y43 WeakPolarHBondContact O-CD2 3.4Å
17	I	54.3	Low	60.2	Low	16 Å²	16	76.8 Å²	76.8	8%	0.082	42%	0.423	C	S	.	.			trans	-96.1	124.3	176.2	-64.1	160.5	0	0	0	107.1	I12 L15 I40 E41 W53	I12-I17 HydrophobicContact CG2-CB 3.57Å; I12-I17 HydrophobicContact CG2-CD1 4.28Å; I12-I17 HydrophobicContact CG2-CG2 3.55Å; I12-I17 PolarHBondContact O-N 3.31Å; L15-I17 VanDerWaalsContact C-N 3.27Å; L15-I17 HydrophobicContact CB-CD1 3.61Å; L15-I17 HydrophobicContact CB-CG1 4Å; L15-I17 HydrophobicContact CD1-CD1 4.1Å; L15-I17 PolarHBondContact O-N 3.28Å; I17-I40 HydrophobicContact CD1-CG2 4.37Å; I17-I40 HydrophobicContact CG1-CG2 4.38Å; I17-I40 HydrophobicContact CG2-CG2 3.61Å; I17-E41 WeakPolarHBondContact CA-O 3.2Å; I17-W53 HydrophobicContact CD1-CH2 3.68Å; I17-W53 HydrophobicContact CD1-CZ2 4.26Å
18	T	52	Low	62.6	Low	74 Å²	74	72.7 Å²	72.7	45%	0.454	40%	0.401	S	S	.	.			trans	-133.2	151.2	177.1	53	0	0	0	0	109.2	E41 Y43	T18-E41 WeakPolarHBondContact O-CB 3.33Å; T18-Y43 VanDerWaalsContact OG1-CE2 3.25Å; T18-Y43 WeakPolarHBondContact OG1-CE2 3.32Å; T18-Y43 VanDerWaalsContact OG1-CZ 3.3Å; T18-Y43 PolarHBondContact OG1-OH 3.03Å
19	T	46.9	Very low	64.7	Low	121 Å²	121	70.5 Å²	70.5	74%	0.742	39%	0.385	S	S	*	.			trans	-103.4	96.8	169.6	52.4	0	0	0	0	107.3
20	S	43.3	Very low	66.9	Low	68 Å²	68	63.9 Å²	63.9	48%	0.476	36%	0.359	S	S	.	.			trans	-140.4	138.2	-176.8	162.4	0	0	0	0	110.4	S22	S20-S22 PolarHBondContact O-N 3.14Å; S20-S22 VanDerWaalsContact O-N 3.08Å
21	D	49.9	Very low	69.1	Low	156 Å²	156	65.3 Å²	65.3	83%	0.834	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.1	112	-177.1	-83.8	-37.3	0	0	0	113.7
22	S	60	Low	71.3	Confident	92 Å²	92	64.6 Å²	64.6	64%	0.643	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	69.4	175.4	71.9	0	0	0	0	115.7	S20 K24	S20-S22 PolarHBondContact O-N 3.14Å; S20-S22 VanDerWaalsContact O-N 3.08Å; S22-K24 PolarHBondContact O-N 2.65Å
23	C	79.8	Confident	73.4	Confident	14 Å²	14	63.3 Å²	63.3	10%	0.095	35%	0.353	C	S	.	.			trans	-55.7	124.7	160	164.7	0	0	0	0	111.7	C26 E41 Y43 P61	C23-C26 HydrophobicContact CB-CB 4.15Å; C23-C26 WeakPolarHBondContact CB-SG 3.3Å; C23-C26 VanDerWaalsContact SG-CA 3.52Å; C23-C26 WeakPolarHBondContact SG-CB 3.16Å; C23-C26 PolarHBondContact SG-N 2.81Å; C23-C26 CovalentContact SG-SG 2.01Å; C23-C26 PolarHBondContact SG-SG 3.22Å; C23-E41 WeakPolarHBondContact CB-OE1 3.32Å; C23-Y43 HydrophobicContact CB-CE1 3.97Å; C23-Y43 WeakPolarHBondContact CB-OH 3.49Å; C23-Y43 WeakPolarHBondContact SG-CE1 3.5Å; C23-P61 WeakPolarHBondContact O-CG 3.42Å
24	K	81.7	Confident	75.6	Confident	142 Å²	142	65.4 Å²	65.4	62%	0.617	35%	0.349	S	S	*	.	S	Bend	trans	-85.9	-20.4	-177.1	-68.8	-175.4	178.9	-179.7	0	115.1	S22 V63	S22-K24 PolarHBondContact O-N 2.65Å; K24-V63 WeakPolarHBondContact O-CG2 3.39Å
25	Y	88.1	Confident	77.7	Confident	54 Å²	54	61.7 Å²	61.7	21%	0.212	33%	0.331	C	S	.	.	S	Bend	trans	-131.3	9.9	-167.9	-66.8	-87.9	0	0	0	114.2	V63 R68 P71 W73	Y25-V63 HydrophobicContact CD1-CG2 4.23Å; Y25-V63 HydrophobicContact CE1-CG1 4.03Å; Y25-V63 HydrophobicContact CE1-CG2 4.1Å; Y25-R68 WeakPolarHBondContact OH-CD 3.31Å; Y25-P71 HydrophobicContact CD1-CB 4.4Å; Y25-P71 HydrophobicContact CD1-CG 4.23Å; Y25-W73 WeakPolarHBondContact O-CZ2 3.46Å
26	C	92.7	Very high	79.5	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.34	C	S	.	.	S	Bend	trans	-88.1	172.9	176.6	46.6	0	0	0	0	111.5	C23 E41 V42 Y43 P61	C23-C26 HydrophobicContact CB-CB 4.15Å; C23-C26 WeakPolarHBondContact CB-SG 3.3Å; C23-C26 VanDerWaalsContact SG-CA 3.52Å; C23-C26 WeakPolarHBondContact SG-CB 3.16Å; C23-C26 PolarHBondContact SG-N 2.81Å; C23-C26 CovalentContact SG-SG 2.01Å; C23-C26 PolarHBondContact SG-SG 3.22Å; C26-E41 HydrophobicContact CB-CB 4.23Å; C26-V42 WeakPolarHBondContact CA-O 3.25Å; C26-V42 WeakPolarHBondContact CB-O 3.16Å; C26-Y43 HydrophobicContact CB-CD1 4.23Å; C26-Y43 HydrophobicContact CB-CE1 4.31Å; C26-Y43 HydrophobicContact CB-CG 4.37Å; C26-P61 VanDerWaalsContact O-CD 3.24Å; C26-P61 WeakPolarHBondContact O-CD 3.47Å
27	L	95.9	Very high	81.3	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134.5	159.6	175.3	76.6	0	0	0	108.3	L29 E41 V42 V58 V60 W73 L75 I108	L27-L29 HydrophobicContact CD2-CD1 3.66Å; L27-L29 HydrophobicContact CD2-CG 4.36Å; L27-L29 HydrophobicContact CG-CD1 3.76Å; L27-L29 HydrophobicContact CG-CG 4.45Å; L27-E41 CarbonylContact O-C 3.58Å; L27-E41 WeakPolarHBondContact O-CA 3.31Å; L27-V42 HydrophobicContact CB-CB 4.22Å; L27-V42 PolarHBondContact N-O 3.06Å; L27-V42 PolarHBondContact O-N 2.74Å; L27-V58 HydrophobicContact CD1-CG1 3.39Å; L27-V58 HydrophobicContact CG-CG1 4.12Å; L27-V60 HydrophobicContact CD1-CG2 3.88Å; L27-W73 HydrophobicContact CB-CD2 3.61Å; L27-W73 HydrophobicContact CB-CE3 3.89Å; L27-W73 HydrophobicContact CB-CG 3.94Å; L27-W73 HydrophobicContact CB-CH2 4.36Å; L27-W73 HydrophobicContact CB-CZ2 4.14Å; L27-W73 HydrophobicContact CB-CZ3 4.24Å; L27-W73 HydrophobicContact CD1-CB 4.02Å; L27-W73 HydrophobicContact CD1-CG 4.12Å; L27-W73 HydrophobicContact CD2-CD2 4.47Å; L27-W73 HydrophobicContact CD2-CE3 4.16Å; L27-W73 HydrophobicContact CG-CD2 4.46Å; L27-L75 HydrophobicContact CD1-CD2 4.36Å; L27-L75 HydrophobicContact CD2-CD2 3.38Å; L27-L75 HydrophobicContact CG-CD2 4.49Å; L27-I108 HydrophobicContact CD2-CD1 4.12Å; L27-I108 HydrophobicContact CD2-CG2 3.77Å
28	Q	95.8	Very high	83.2	Confident	22 Å²	22	68.9 Å²	68.9	10%	0.103	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.8	175.9	-68.7	172	-32.5	0	0	108.9	Y30 Y39 I40 E41 V58 C59 P61	Q28-Y30 HydrophobicContact CB-CD2 4.4Å; Q28-Y30 HydrophobicContact CB-CE2 3.69Å; Q28-Y30 PolarHBondContact OE1-OH 3.25Å; Q28-Y39 HydrophobicContact CB-CD2 4.47Å; Q28-Y39 HydrophobicContact CG-CD2 4.23Å; Q28-I40 WeakPolarHBondContact CA-O 3.23Å; Q28-E41 HydrophobicContact CG-CG 4.42Å; Q28-V58 CarbonylContact O-C 3.56Å; Q28-V58 WeakPolarHBondContact O-CA 3.14Å; Q28-C59 HydrophobicContact CB-CB 4.47Å; Q28-C59 PolarHBondContact N-O 3.06Å; Q28-C59 PolarHBondContact O-N 3.35Å; Q28-P61 HydrophobicContact CG-CG 4.36Å
29	L	96.8	Very high	85.2	Confident	6 Å²	6	68.8 Å²	68.8	3%	0.031	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.8	176.2	-64.3	90.1	0	0	0	107.9	L27 Y39 I40 V42 W53 P55 V58 I105	L27-L29 HydrophobicContact CD2-CD1 3.66Å; L27-L29 HydrophobicContact CD2-CG 4.36Å; L27-L29 HydrophobicContact CG-CD1 3.76Å; L27-L29 HydrophobicContact CG-CG 4.45Å; L29-Y39 CarbonylContact O-C 3.57Å; L29-Y39 WeakPolarHBondContact O-CA 3.24Å; L29-Y39 WeakPolarHBondContact O-CB 3.38Å; L29-I40 PolarHBondContact N-O 2.8Å; L29-I40 PolarHBondContact O-N 2.88Å; L29-V42 HydrophobicContact CD1-CB 4.41Å; L29-V42 HydrophobicContact CD1-CG2 3.51Å; L29-W53 HydrophobicContact CD2-CE3 3.92Å; L29-P55 HydrophobicContact CB-CB 4.08Å; L29-P55 HydrophobicContact CD2-CB 4.36Å; L29-P55 HydrophobicContact CD2-CG 4.12Å; L29-V58 HydrophobicContact CG-CG2 4.44Å; L29-I105 HydrophobicContact CD2-CD1 3.65Å
30	Y	96.6	Very high	87.5	Confident	29 Å²	29	65.9 Å²	65.9	11%	0.114	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	143.9	-177	-67.7	-96	0	0	0	110.4	Q28 E32 E35 S38 Y39 P55 G56 S57 C59	Q28-Y30 HydrophobicContact CB-CD2 4.4Å; Q28-Y30 HydrophobicContact CB-CE2 3.69Å; Q28-Y30 PolarHBondContact OE1-OH 3.25Å; Y30-E32 VanDerWaalsContact C-N 3.29Å; Y30-E32 PolarHBondContact O-N 2.74Å; Y30-E35 VanDerWaalsContact CD1-C 3.42Å; Y30-E35 HydrophobicContact CD1-CB 4.39Å; Y30-E35 WeakPolarHBondContact CD1-O 3.11Å; Y30-E35 HydrophobicContact CD2-CB 4.43Å; Y30-E35 HydrophobicContact CD2-CG 4.46Å; Y30-E35 HydrophobicContact CE1-CB 4.13Å; Y30-E35 WeakPolarHBondContact CE1-O 3.48Å; Y30-E35 HydrophobicContact CE2-CB 4.17Å; Y30-E35 HydrophobicContact CE2-CG 4.14Å; Y30-S38 WeakPolarHBondContact CA-O 3.19Å; Y30-Y39 HydrophobicContact CD1-CD1 4.38Å; Y30-Y39 HydrophobicContact CD1-CG 4.26Å; Y30-Y39 AromaticContact CE1-CD1 3.92Å; Y30-Y39 HydrophobicContact CE1-CD1 3.92Å; Y30-Y39 AromaticContact CE1-CG 3.93Å; Y30-Y39 HydrophobicContact CE1-CG 3.93Å; Y30-P55 CarbonylContact O-C 3.46Å; Y30-P55 WeakPolarHBondContact O-CA 3.44Å; Y30-P55 WeakPolarHBondContact O-CB 3.46Å; Y30-G56 PolarHBondContact O-N 3.27Å; Y30-S57 VanDerWaalsContact CB-OG 3.31Å; Y30-S57 WeakPolarHBondContact CB-OG 3.08Å; Y30-S57 PolarHBondContact N-O 2.96Å; Y30-S57 PolarHBondContact O-N 3.4Å; Y30-C59 HydrophobicContact CE2-CB 4.13Å
31	D	95.6	Very high	89.9	Confident	106 Å²	106	62.6 Å²	62.6	57%	0.567	32%	0.319	S	S	*	.	S	Bend	trans	-66.6	-32.4	177.2	-70.2	-19.6	0	0	0	111.8	S38 G56	D31-S38 PolarHBondContact N-O 2.79Å; D31-S38 WeakPolarHBondContact OD2-CB 3.38Å; D31-G56 PolarHBondContact O-N 3.12Å
32	E	97.7	Very high	92	Very high	83 Å²	83	55.3 Å²	55.3	39%	0.388	28%	0.28	S	S	.	.	S	Bend	trans	-110.6	167.6	-179.2	-60.9	-178.5	-114	0	0	112.8	Y30 R36 G37 G56 S57	Y30-E32 VanDerWaalsContact C-N 3.29Å; Y30-E32 PolarHBondContact O-N 2.74Å; E32-R36 HydrophobicContact CB-CB 3.87Å; E32-R36 WeakPolarHBondContact CB-O 3.08Å; E32-R36 PolarHBondContact N-O 2.87Å; E32-R36 IonicContact OE2-CZ 3.19Å; E32-R36 IonicContact OE2-NH1 2.72Å; E32-R36 PolarHBondContact OE2-NH1 2.9Å; E32-R36 IonicContact OE2-NH2 3.15Å; E32-R36 PolarHBondContact OE2-NH2 2.68Å; E32-R36 VanDerWaalsContact OE2-NH2 3.15Å; E32-G37 WeakPolarHBondContact OE1-CA 3.29Å; E32-G56 CarbonylContact O-C 3.49Å; E32-G56 VanDerWaalsContact O-C 3.31Å; E32-S57 WeakPolarHBondContact O-CB 3.23Å; E32-S57 PolarHBondContact O-N 2.72Å; E32-S57 PolarHBondContact O-OG 3.49Å
33	T	97.8	Very high	93.6	Very high	36 Å²	36	53.9 Å²	53.9	22%	0.221	26%	0.261	C	S	.	.	S	Bend	trans	-71	155.4	171.1	55.7	0	0	0	0	111.9	R36 D95 D96	T33-R36 PolarHBondContact O-NE 2.9Å; T33-D95 CarbonylContact C-O 3.57Å; T33-D95 WeakPolarHBondContact CA-O 3.07Å; T33-D95 VanDerWaalsContact CB-O 3.22Å; T33-D95 WeakPolarHBondContact CB-O 3.25Å; T33-D96 HydrophobicContact CG2-CB 4.21Å
34	Y	96.9	Very high	94.2	Very high	130 Å²	130	57.3 Å²	57.3	51%	0.51	27%	0.274	S	S	.	.	S	Bend	trans	58.6	45.4	179	-54.1	-88.4	0	0	0	113.4	R36 D95	Y34-R36 WeakPolarHBondContact O-CG 3.46Å; Y34-R36 PolarHBondContact O-N 2.05Å; Y34-R36 VanDerWaalsContact O-N 3.15Å; Y34-D95 HydrophobicContact CD1-CB 3.53Å; Y34-D95 HydrophobicContact CE1-CB 3.66Å; Y34-D95 HydrophobicContact CG-CB 4.16Å; Y34-D95 PolarHBondContact N-O 3.27Å
35	E	95.8	Very high	94.8	Very high	67 Å²	67	50.8 Å²	50.8	31%	0.313	25%	0.247	S	C	.	.	S	Bend	trans	59.2	29.7	174.3	-57.3	73.6	-134.2	0	0	114.2	Y30 S57 C59 C93	Y30-E35 VanDerWaalsContact CD1-C 3.42Å; Y30-E35 HydrophobicContact CD1-CB 4.39Å; Y30-E35 WeakPolarHBondContact CD1-O 3.11Å; Y30-E35 HydrophobicContact CD2-CB 4.43Å; Y30-E35 HydrophobicContact CD2-CG 4.46Å; Y30-E35 HydrophobicContact CE1-CB 4.13Å; Y30-E35 WeakPolarHBondContact CE1-O 3.48Å; Y30-E35 HydrophobicContact CE2-CB 4.17Å; Y30-E35 HydrophobicContact CE2-CG 4.14Å; E35-S57 WeakPolarHBondContact CA-OG 3.39Å; E35-S57 PolarHBondContact N-OG 3.04Å; E35-C59 WeakPolarHBondContact CG-SG 3.1Å; E35-C93 WeakPolarHBondContact OE1-CB 3.28Å
36	R	95.8	Very high	95.1	Very high	120 Å²	120	48.6 Å²	48.6	45%	0.453	24%	0.239	S	C	.	.			trans	-100.4	165.9	-179.6	-64.6	-175.9	-57.4	109.7	11.2	112	E32 T33 Y34	E32-R36 HydrophobicContact CB-CB 3.87Å; E32-R36 WeakPolarHBondContact CB-O 3.08Å; E32-R36 PolarHBondContact N-O 2.87Å; E32-R36 IonicContact OE2-CZ 3.19Å; E32-R36 IonicContact OE2-NH1 2.72Å; E32-R36 PolarHBondContact OE2-NH1 2.9Å; E32-R36 IonicContact OE2-NH2 3.15Å; E32-R36 PolarHBondContact OE2-NH2 2.68Å; E32-R36 VanDerWaalsContact OE2-NH2 3.15Å; T33-R36 PolarHBondContact O-NE 2.9Å; Y34-R36 WeakPolarHBondContact O-CG 3.46Å; Y34-R36 PolarHBondContact O-N 2.05Å; Y34-R36 VanDerWaalsContact O-N 3.15Å
37	G	94.3	Very high	95.2	Very high	41 Å²	41	49.5 Å²	49.5	42%	0.423	25%	0.248	S	C	.	.	S	Bend	trans	79	-168.4	177.2	0	0	0	0	0	113.3	E32	E32-G37 WeakPolarHBondContact OE1-CA 3.29Å
38	S	94.7	Very high	95.2	Very high	85 Å²	85	52.7 Å²	52.7	59%	0.594	27%	0.271	S	S	*	.			trans	-69.7	155.6	172.6	-61.4	0	0	0	0	109.7	Y30 D31	Y30-S38 WeakPolarHBondContact CA-O 3.19Å; D31-S38 PolarHBondContact N-O 2.79Å; D31-S38 WeakPolarHBondContact OD2-CB 3.38Å
39	Y	93.9	Very high	95.1	Very high	73 Å²	73	52.1 Å²	52.1	29%	0.286	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	157.3	177.7	67.7	-84.1	0	0	0	111.7	Q28 L29 Y30 E41	Q28-Y39 HydrophobicContact CB-CD2 4.47Å; Q28-Y39 HydrophobicContact CG-CD2 4.23Å; L29-Y39 CarbonylContact O-C 3.57Å; L29-Y39 WeakPolarHBondContact O-CA 3.24Å; L29-Y39 WeakPolarHBondContact O-CB 3.38Å; Y30-Y39 HydrophobicContact CD1-CD1 4.38Å; Y30-Y39 HydrophobicContact CD1-CG 4.26Å; Y30-Y39 AromaticContact CE1-CD1 3.92Å; Y30-Y39 HydrophobicContact CE1-CD1 3.92Å; Y30-Y39 AromaticContact CE1-CG 3.93Å; Y30-Y39 HydrophobicContact CE1-CG 3.93Å; Y39-E41 HydrophobicContact CD2-CG 3.87Å; Y39-E41 HydrophobicContact CE2-CG 3.54Å
40	I	93.8	Very high	94.9	Very high	59 Å²	59	57.3 Å²	57.3	30%	0.303	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136	174.6	-68.9	170.8	0	0	0	108.5	I17 Q28 L29 V42 W53	I17-I40 HydrophobicContact CD1-CG2 4.37Å; I17-I40 HydrophobicContact CG1-CG2 4.38Å; I17-I40 HydrophobicContact CG2-CG2 3.61Å; Q28-I40 WeakPolarHBondContact CA-O 3.23Å; L29-I40 PolarHBondContact N-O 2.8Å; L29-I40 PolarHBondContact O-N 2.88Å; I40-V42 HydrophobicContact CG2-CG2 4.26Å; I40-W53 HydrophobicContact CG2-CH2 4.08Å; I40-W53 HydrophobicContact CG2-CZ3 4.07Å
41	E	95.1	Very high	94.9	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124.3	172.8	-54.4	-173.4	134.6	0	0	110.9	I17 T18 C23 C26 L27 Q28 Y39 Y43	I17-E41 WeakPolarHBondContact CA-O 3.2Å; T18-E41 WeakPolarHBondContact O-CB 3.33Å; C23-E41 WeakPolarHBondContact CB-OE1 3.32Å; C26-E41 HydrophobicContact CB-CB 4.23Å; L27-E41 CarbonylContact O-C 3.58Å; L27-E41 WeakPolarHBondContact O-CA 3.31Å; Q28-E41 HydrophobicContact CG-CG 4.42Å; Y39-E41 HydrophobicContact CD2-CG 3.87Å; Y39-E41 HydrophobicContact CE2-CG 3.54Å; E41-Y43 HydrophobicContact CB-CD2 4.24Å; E41-Y43 HydrophobicContact CB-CE2 3.47Å; E41-Y43 VanDerWaalsContact CB-CE2 3.47Å; E41-Y43 PolarHBondContact OE2-OH 3.3Å
42	V	94.2	Very high	94.9	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.012	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.1	177.8	-178.8	0	0	0	0	109.5	C26 L27 L29 I40 K44 V46 W53 W73 I108	C26-V42 WeakPolarHBondContact CA-O 3.25Å; C26-V42 WeakPolarHBondContact CB-O 3.16Å; L27-V42 HydrophobicContact CB-CB 4.22Å; L27-V42 PolarHBondContact N-O 3.06Å; L27-V42 PolarHBondContact O-N 2.74Å; L29-V42 HydrophobicContact CD1-CB 4.41Å; L29-V42 HydrophobicContact CD1-CG2 3.51Å; I40-V42 HydrophobicContact CG2-CG2 4.26Å; V42-K44 WeakPolarHBondContact CG1-O 3.31Å; V42-V46 HydrophobicContact CG1-CG2 4.38Å; V42-W53 HydrophobicContact CG2-CH2 4.42Å; V42-W53 HydrophobicContact CG2-CZ3 3.78Å; V42-W73 HydrophobicContact CG1-CH2 4.09Å; V42-W73 HydrophobicContact CG1-CZ3 3.89Å; V42-W73 WeakPolarHBondContact O-CH2 3.47Å; V42-W73 VanDerWaalsContact O-CZ2 3.26Å; V42-W73 WeakPolarHBondContact O-CZ2 2.98Å; V42-I108 HydrophobicContact CG1-CD1 4.34Å; V42-I108 HydrophobicContact CG1-CG2 4.28Å; V42-I108 HydrophobicContact CG2-CD1 4.18Å
43	Y	91.9	Very high	94.9	Very high	63 Å²	63	57.4 Å²	57.4	25%	0.247	32%	0.315	C	S	.	.			trans	-106.5	-16	-172.9	-67.5	-98.5	0	0	0	114.3	G16 T18 C23 C26 E41 R110	G16-Y43 WeakPolarHBondContact O-CD2 3.4Å; T18-Y43 VanDerWaalsContact OG1-CE2 3.25Å; T18-Y43 WeakPolarHBondContact OG1-CE2 3.32Å; T18-Y43 VanDerWaalsContact OG1-CZ 3.3Å; T18-Y43 PolarHBondContact OG1-OH 3.03Å; C23-Y43 HydrophobicContact CB-CE1 3.97Å; C23-Y43 WeakPolarHBondContact CB-OH 3.49Å; C23-Y43 WeakPolarHBondContact SG-CE1 3.5Å; C26-Y43 HydrophobicContact CB-CD1 4.23Å; C26-Y43 HydrophobicContact CB-CE1 4.31Å; C26-Y43 HydrophobicContact CB-CG 4.37Å; E41-Y43 HydrophobicContact CB-CD2 4.24Å; E41-Y43 HydrophobicContact CB-CE2 3.47Å; E41-Y43 VanDerWaalsContact CB-CE2 3.47Å; E41-Y43 PolarHBondContact OE2-OH 3.3Å; Y43-R110 WeakPolarHBondContact O-CD 3.05Å; Y43-R110 PolarHBondContact O-NH1 3.39Å
44	K	92.6	Very high	94.9	Very high	85 Å²	85	60.8 Å²	60.8	37%	0.37	34%	0.335	S	S	.	.	S	Bend	trans	-140.1	163.2	179.9	64.6	-178.3	-178.8	-163.4	0	110.3	Q14 L15 V42	Q14-K44 PolarHBondContact O-NZ 3.45Å; L15-K44 VanDerWaalsContact C-CE 3.45Å; L15-K44 WeakPolarHBondContact O-CE 3.48Å; V42-K44 WeakPolarHBondContact CG1-O 3.31Å
45	S	95	Very high	94.9	Very high	6 Å²	6	55 Å²	55	4%	0.042	31%	0.314	C	S	.	.			trans	-58.4	152.2	173.5	-42.9	0	0	0	0	111.4	Y81 I108 R110 Q124	S45-Y81 WeakPolarHBondContact CB-OH 3.16Å; S45-I108 CarbonylContact C-O 3.52Å; S45-I108 WeakPolarHBondContact CA-O 3.06Å; S45-I108 VanDerWaalsContact CB-O 3.23Å; S45-I108 WeakPolarHBondContact CB-O 3.48Å; S45-R110 PolarHBondContact OG-N 3.12Å; S45-Q124 PolarHBondContact O-NE2 2.72Å
46	V	94.5	Very high	95	Very high	8 Å²	8	52.1 Å²	52.1	5%	0.048	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-130.6	114.4	174.1	-176.1	0	0	0	0	107.4	L15 V42 S48 L49 Y81 S107 I108	L15-V46 HydrophobicContact CD2-CG1 4.21Å; L15-V46 HydrophobicContact CD2-CG2 4.36Å; V42-V46 HydrophobicContact CG1-CG2 4.38Å; V46-S48 VanDerWaalsContact C-N 3.33Å; V46-S48 WeakPolarHBondContact CG1-O 3.38Å; V46-L49 HydrophobicContact CB-CD2 4.46Å; V46-L49 HydrophobicContact CG1-CD2 3.61Å; V46-L49 HydrophobicContact CG1-CG 3.85Å; V46-Y81 WeakPolarHBondContact O-CE1 3.39Å; V46-S107 CarbonylContact O-C 3.52Å; V46-S107 VanDerWaalsContact O-CA 3.29Å; V46-S107 WeakPolarHBondContact O-CA 3.32Å; V46-S107 WeakPolarHBondContact O-CB 3.4Å; V46-I108 HydrophobicContact CB-CB 4.5Å; V46-I108 PolarHBondContact N-O 3.01Å; V46-I108 PolarHBondContact O-N 3.39Å
47	G	94.6	Very high	95	Very high	18 Å²	18	46.4 Å²	46.4	19%	0.186	28%	0.28	C	S	.	.	S	Bend	trans	-76.2	-17.8	-176.2	0	0	0	0	0	114.2	N80 Y81	G47-N80 PolarHBondContact O-N 2.91Å; G47-Y81 PolarHBondContact N-OH 3.32Å
48	S	95.4	Very high	95.2	Very high	68 Å²	68	44.4 Å²	44.4	48%	0.476	26%	0.26	S	S	.	.			trans	-157.3	126.3	180	-173.7	0	0	0	0	110.2	V46 V79 S106	V46-S48 VanDerWaalsContact C-N 3.33Å; V46-S48 WeakPolarHBondContact CG1-O 3.38Å; S48-V79 WeakPolarHBondContact OG-CG1 3.37Å; S48-S106 CarbonylContact C-O 3.57Å; S48-S106 WeakPolarHBondContact CA-O 3.31Å
49	L	94.4	Very high	95.3	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.047	23%	0.233	C	C	.	.			trans	-115.9	121.8	169.5	-67.2	170.3	0	0	0	107.8	V46 P51 W53 I105 S106 I108	V46-L49 HydrophobicContact CB-CD2 4.46Å; V46-L49 HydrophobicContact CG1-CD2 3.61Å; V46-L49 HydrophobicContact CG1-CG 3.85Å; L49-P51 CarbonylContact C-O 3.59Å; L49-P51 CarbonylContact O-C 3.49Å; L49-W53 HydrophobicContact CD1-CB 4.37Å; L49-W53 HydrophobicContact CD1-CD2 3.71Å; L49-W53 HydrophobicContact CD1-CE3 3.84Å; L49-W53 HydrophobicContact CD1-CG 3.93Å; L49-W53 HydrophobicContact CD1-CZ3 4.47Å; L49-W53 HydrophobicContact CD2-CD2 3.98Å; L49-W53 HydrophobicContact CD2-CE3 4.42Å; L49-W53 HydrophobicContact CD2-CH2 4.2Å; L49-W53 HydrophobicContact CD2-CZ2 3.7Å; L49-W53 HydrophobicContact CG-CD2 4.4Å; L49-I105 HydrophobicContact CD1-CG2 4.2Å; L49-I105 WeakPolarHBondContact CD1-O 3.44Å; L49-S106 PolarHBondContact N-O 3.05Å; L49-I108 HydrophobicContact CD1-CD1 3.97Å; L49-I108 HydrophobicContact CD1-CG1 4.21Å
50	S	93.5	Very high	95.4	Very high	115 Å²	115	37.1 Å²	37.1	80%	0.804	22%	0.219	S	C	*	.	S	Bend	trans	-138.6	112.7	178.3	-170.4	0	0	0	0	108.7
51	P	94.9	Very high	95.4	Very high	101 Å²	101	35.5 Å²	35.5	66%	0.656	21%	0.213	S	C	*	.	S	Bend	cis	-65	161.6	-3.3	30.8	-36.2	0	0	0	112.8	L49	L49-P51 CarbonylContact C-O 3.59Å; L49-P51 CarbonylContact O-C 3.49Å
52	P	96.3	Very high	95.2	Very high	61 Å²	61	41.9 Å²	41.9	40%	0.396	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-56.6	146.8	169.2	-22.9	34.5	0	0	0	111.3	I105 S106	P52-I105 CarbonylContact C-O 3.57Å; P52-I105 VanDerWaalsContact CA-O 3.31Å; P52-I105 WeakPolarHBondContact CA-O 3.34Å; P52-S106 WeakPolarHBondContact CG-OG 3.28Å
53	W	97.2	Very high	94.9	Very high	59 Å²	59	42.2 Å²	42.2	22%	0.223	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-88.2	135.9	179.1	-70	-2.9	0	0	0	111.7	I17 L29 I40 V42 L49 P55 G104 I105 I108	I17-W53 HydrophobicContact CD1-CH2 3.68Å; I17-W53 HydrophobicContact CD1-CZ2 4.26Å; L29-W53 HydrophobicContact CD2-CE3 3.92Å; I40-W53 HydrophobicContact CG2-CH2 4.08Å; I40-W53 HydrophobicContact CG2-CZ3 4.07Å; V42-W53 HydrophobicContact CG2-CH2 4.42Å; V42-W53 HydrophobicContact CG2-CZ3 3.78Å; L49-W53 HydrophobicContact CD1-CB 4.37Å; L49-W53 HydrophobicContact CD1-CD2 3.71Å; L49-W53 HydrophobicContact CD1-CE3 3.84Å; L49-W53 HydrophobicContact CD1-CG 3.93Å; L49-W53 HydrophobicContact CD1-CZ3 4.47Å; L49-W53 HydrophobicContact CD2-CD2 3.98Å; L49-W53 HydrophobicContact CD2-CE3 4.42Å; L49-W53 HydrophobicContact CD2-CH2 4.2Å; L49-W53 HydrophobicContact CD2-CZ2 3.7Å; L49-W53 HydrophobicContact CG-CD2 4.4Å; W53-P55 VanDerWaalsContact O-CD 3.28Å; W53-P55 WeakPolarHBondContact O-CD 3.4Å; W53-G104 CarbonylContact O-C 3.54Å; W53-G104 WeakPolarHBondContact O-CA 3.29Å; W53-I105 HydrophobicContact CB-CB 4.5Å; W53-I105 PolarHBondContact N-O 3.16Å; W53-I105 PolarHBondContact O-N 2.88Å; W53-I108 HydrophobicContact CE3-CD1 4.3Å; W53-I108 HydrophobicContact CZ3-CD1 4.32Å
54	T	97.2	Very high	94.4	Very high	107 Å²	107	45.4 Å²	45.4	66%	0.656	26%	0.264	S	S	*	.			trans	-121	74.1	-173.6	55.6	0	0	0	0	110.9	E103	T54-E103 WeakPolarHBondContact CG2-O 3.41Å
55	P	97.2	Very high	93.7	Very high	9 Å²	9	44 Å²	44	6%	0.058	26%	0.261	C	S	.	.			trans	-71.2	153.7	-178.9	33	-37.8	0	0	0	111.8	L29 Y30 W53 V58 F97 I105	L29-P55 HydrophobicContact CB-CB 4.08Å; L29-P55 HydrophobicContact CD2-CB 4.36Å; L29-P55 HydrophobicContact CD2-CG 4.12Å; Y30-P55 CarbonylContact O-C 3.46Å; Y30-P55 WeakPolarHBondContact O-CA 3.44Å; Y30-P55 WeakPolarHBondContact O-CB 3.46Å; W53-P55 VanDerWaalsContact O-CD 3.28Å; W53-P55 WeakPolarHBondContact O-CD 3.4Å; P55-V58 HydrophobicContact CB-CG2 4.03Å; P55-V58 HydrophobicContact CG-CG2 3.55Å; P55-F97 HydrophobicContact CG-CB 4.39Å; P55-F97 HydrophobicContact CG-CD1 3.63Å; P55-F97 HydrophobicContact CG-CE1 4.12Å; P55-F97 HydrophobicContact CG-CG 4.03Å; P55-I105 HydrophobicContact CG-CD1 3.73Å
56	G	97.7	Very high	92.7	Very high	5 Å²	5	48.9 Å²	48.9	5%	0.052	29%	0.29	C	S	.	.	S	Bend	trans	-77.2	-38.8	168.8	0	0	0	0	0	112.3	Y30 D31 E32 F97	Y30-G56 PolarHBondContact O-N 3.27Å; D31-G56 PolarHBondContact O-N 3.12Å; E32-G56 CarbonylContact O-C 3.49Å; E32-G56 VanDerWaalsContact O-C 3.31Å; G56-F97 PolarHBondContact O-N 2.81Å
57	S	97.8	Very high	91.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	159.6	174.2	56.2	0	0	0	0	111.9	Y30 E32 E35 I94 D95	Y30-S57 VanDerWaalsContact CB-OG 3.31Å; Y30-S57 WeakPolarHBondContact CB-OG 3.08Å; Y30-S57 PolarHBondContact N-O 2.96Å; Y30-S57 PolarHBondContact O-N 3.4Å; E32-S57 WeakPolarHBondContact O-CB 3.23Å; E32-S57 PolarHBondContact O-N 2.72Å; E32-S57 PolarHBondContact O-OG 3.49Å; E35-S57 WeakPolarHBondContact CA-OG 3.39Å; E35-S57 PolarHBondContact N-OG 3.04Å; S57-I94 VanDerWaalsContact CA-O 3.22Å; S57-I94 WeakPolarHBondContact CA-O 3.27Å; S57-I94 WeakPolarHBondContact CB-O 3.22Å; S57-D95 WeakPolarHBondContact CB-O 3.42Å
58	V	97.6	Very high	90.7	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	133.2	-177	-178.2	0	0	0	0	109.8	L27 Q28 L29 P55 L75 L88 C93 I94 F97	L27-V58 HydrophobicContact CD1-CG1 3.39Å; L27-V58 HydrophobicContact CG-CG1 4.12Å; Q28-V58 CarbonylContact O-C 3.56Å; Q28-V58 WeakPolarHBondContact O-CA 3.14Å; L29-V58 HydrophobicContact CG-CG2 4.44Å; P55-V58 HydrophobicContact CB-CG2 4.03Å; P55-V58 HydrophobicContact CG-CG2 3.55Å; V58-L75 HydrophobicContact CG1-CD1 4.04Å; V58-L75 HydrophobicContact CG2-CD1 4.24Å; V58-L88 HydrophobicContact CB-CD2 4.24Å; V58-L88 HydrophobicContact CG1-CD1 4.4Å; V58-L88 HydrophobicContact CG1-CD2 3.87Å; V58-C93 CarbonylContact O-C 3.56Å; V58-C93 VanDerWaalsContact O-CA 3.28Å; V58-C93 WeakPolarHBondContact O-CA 3.22Å; V58-I94 PolarHBondContact N-O 3.48Å; V58-I94 VanDerWaalsContact N-O 3.16Å; V58-I94 PolarHBondContact O-N 3.19Å; V58-F97 HydrophobicContact CB-CD2 4.29Å; V58-F97 HydrophobicContact CG2-CB 4.26Å; V58-F97 HydrophobicContact CG2-CD2 3.64Å; V58-F97 HydrophobicContact CG2-CE2 4.11Å; V58-F97 HydrophobicContact CG2-CG 3.9Å
59	C	97.2	Very high	90.3	Very high	4 Å²	4	64.8 Å²	64.8	3%	0.027	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	153.8	177.3	-69.2	0	0	0	0	113	Q28 Y30 E35 T92 C93	Q28-C59 HydrophobicContact CB-CB 4.47Å; Q28-C59 PolarHBondContact N-O 3.06Å; Q28-C59 PolarHBondContact O-N 3.35Å; Y30-C59 HydrophobicContact CE2-CB 4.13Å; E35-C59 WeakPolarHBondContact CG-SG 3.1Å; C59-T92 WeakPolarHBondContact CA-O 3.37Å; C59-C93 HydrophobicContact CB-CB 4.2Å; C59-C93 WeakPolarHBondContact CB-SG 3.06Å; C59-C93 WeakPolarHBondContact SG-CB 3.33Å; C59-C93 CovalentContact SG-SG 2.04Å; C59-C93 PolarHBondContact SG-SG 3.17Å
60	V	96	Very high	90.1	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.006	36%	0.355	C	S	.	.			trans	-116.2	120	162.1	-175.9	0	0	0	0	107.3	L27 P71 W73 L88 G89 G91 T92	L27-V60 HydrophobicContact CD1-CG2 3.88Å; V60-P71 HydrophobicContact CG1-CB 4.03Å; V60-P71 HydrophobicContact CG1-CG 3.8Å; V60-W73 HydrophobicContact CG2-CB 4.28Å; V60-W73 HydrophobicContact CG2-CG 4.18Å; V60-L88 HydrophobicContact CG2-CB 3.64Å; V60-G89 WeakPolarHBondContact CB-O 3.32Å; V60-G91 VanDerWaalsContact O-CA 3.31Å; V60-G91 WeakPolarHBondContact O-CA 3.3Å; V60-G91 PolarHBondContact O-N 3.08Å; V60-T92 PolarHBondContact N-O 3.46Å
61	P	93.2	Very high	90.1	Very high	25 Å²	25	62.8 Å²	62.8	16%	0.162	32%	0.317	C	S	.	.			trans	-53.2	145.2	179.1	-30.5	38.4	0	0	0	113.2	C23 C26 Q28 V63 G91	C23-P61 WeakPolarHBondContact O-CG 3.42Å; C26-P61 VanDerWaalsContact O-CD 3.24Å; C26-P61 WeakPolarHBondContact O-CD 3.47Å; Q28-P61 HydrophobicContact CG-CG 4.36Å; P61-V63 PolarHBondContact O-N 2.97Å; P61-G91 PolarHBondContact O-N 3.27Å
62	F	91.4	Very high	90.1	Very high	133 Å²	133	60 Å²	60	58%	0.583	29%	0.293	S	S	*	.			trans	-69.9	123.7	176.6	-175.8	-99.2	0	0	0	110.9	N64 H90	F62-N64 HydrophobicContact CD1-CB 4.19Å; F62-N64 HydrophobicContact CE1-CB 3.69Å; F62-H90 AromaticContact CD2-CE1 3.77Å; F62-H90 AromaticContact CD2-ND1 3.65Å; F62-H90 AromaticContact CE2-CE1 3.4Å; F62-H90 WeakPolarHBondContact CE2-CE1 3.17Å; F62-H90 AromaticContact CE2-ND1 3.74Å
63	V	87.9	Confident	90.2	Very high	10 Å²	10	57 Å²	57	6%	0.061	27%	0.274	C	S	.	.			trans	-101.4	113	172.2	179.8	0	0	0	0	109.9	K24 Y25 P61 D65 P71 H90	K24-V63 WeakPolarHBondContact O-CG2 3.39Å; Y25-V63 HydrophobicContact CD1-CG2 4.23Å; Y25-V63 HydrophobicContact CE1-CG1 4.03Å; Y25-V63 HydrophobicContact CE1-CG2 4.1Å; P61-V63 PolarHBondContact O-N 2.97Å; V63-D65 VanDerWaalsContact C-N 3.33Å; V63-D65 HydrophobicContact CG1-CB 3.87Å; V63-P71 VanDerWaalsContact CG2-CD 3.5Å; V63-P71 HydrophobicContact CG2-CG 3.69Å; V63-H90 HydrophobicContact CB-CB 4.45Å; V63-H90 PolarHBondContact N-ND1 3.36Å; V63-H90 PolarHBondContact O-ND1 3.42Å; V63-H90 VanDerWaalsContact O-ND1 3.15Å
64	N	80.1	Confident	90.2	Very high	130 Å²	130	56.9 Å²	56.9	70%	0.695	27%	0.274	S	S	*	.			trans	-89.9	5.7	174.8	-160.6	19.9	0	0	0	113.4	F62 T66	F62-N64 HydrophobicContact CD1-CB 4.19Å; F62-N64 HydrophobicContact CE1-CB 3.69Å; N64-T66 PolarHBondContact O-N 3.2Å; N64-T66 VanDerWaalsContact O-N 3.16Å
65	D	78.9	Confident	90.2	Very high	56 Å²	56	51.8 Å²	51.8	30%	0.299	24%	0.243	S	C	.	.			trans	-78.2	101.3	-179.9	-171.6	-10.6	0	0	0	110.3	V63 K67 R68	V63-D65 VanDerWaalsContact C-N 3.33Å; V63-D65 HydrophobicContact CG1-CB 3.87Å; D65-K67 PolarHBondContact O-N 2.96Å; D65-K67 WeakPolarHBondContact OD1-CB 3.43Å; D65-K67 PolarHBondContact OD1-N 3.37Å; D65-R68 PolarHBondContact O-N 3.4Å; D65-R68 VanDerWaalsContact OD2-CD 3.29Å; D65-R68 WeakPolarHBondContact OD2-CD 3.41Å; D65-R68 WeakPolarHBondContact OD2-CG 3.27Å; D65-R68 IonicContact OD2-NE 2.72Å
66	T	73.5	Confident	90.2	Very high	108 Å²	108	52 Å²	52	66%	0.663	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-7.7	178.1	59.3	0	0	0	0	113.5	N64 K115	N64-T66 PolarHBondContact O-N 3.2Å; N64-T66 VanDerWaalsContact O-N 3.16Å; T66-K115 WeakPolarHBondContact O-CE 3.46Å; T66-K115 PolarHBondContact O-NZ 3.5Å
67	K	72	Confident	90.2	Very high	181 Å²	181	54.1 Å²	54.1	79%	0.787	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-19.1	178.8	-61.9	-173.6	179	-177.8	0	112.6	D65	D65-K67 PolarHBondContact O-N 2.96Å; D65-K67 WeakPolarHBondContact OD1-CB 3.43Å; D65-K67 PolarHBondContact OD1-N 3.37Å
68	R	76.4	Confident	90.1	Very high	155 Å²	155	57.9 Å²	57.9	59%	0.585	27%	0.273	S	S	*	.	S	Bend	trans	-113.3	159.7	-175.4	-66	-175.9	177	-177.7	1.1	111.6	Y25 D65	Y25-R68 WeakPolarHBondContact OH-CD 3.31Å; D65-R68 PolarHBondContact O-N 3.4Å; D65-R68 VanDerWaalsContact OD2-CD 3.29Å; D65-R68 WeakPolarHBondContact OD2-CD 3.41Å; D65-R68 WeakPolarHBondContact OD2-CG 3.27Å; D65-R68 IonicContact OD2-NE 2.72Å
69	E	85.4	Confident	90	Very high	92 Å²	92	60 Å²	60	43%	0.43	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-67.6	148.9	169.6	-63.2	162	160.9	0	0	109.7	I112	E69-I112 HydrophobicContact CB-CB 4.08Å; E69-I112 HydrophobicContact CB-CG2 4.35Å; E69-I112 VanDerWaalsContact CD-CD1 3.48Å; E69-I112 WeakPolarHBondContact OE2-CD1 3.42Å
70	R	91.1	Very high	89.9	Confident	80 Å²	80	65.3 Å²	65.3	30%	0.302	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	141.9	-173.9	-63.2	-178.4	-73.8	171.2	-7.8	109.7	Y72 H90 I112 Q113	R70-Y72 PolarHBondContact O-N 3.26Å; R70-H90 HydrophobicContact CB-CB 4.44Å; R70-H90 VanDerWaalsContact CD-CE1 3.48Å; R70-H90 WeakPolarHBondContact CD-CE1 3.39Å; R70-H90 VanDerWaalsContact CD-NE2 3.31Å; R70-H90 WeakPolarHBondContact CD-NE2 3.32Å; R70-H90 PolarHBondContact NH1-NE2 3.34Å; R70-I112 CarbonylContact O-C 3.59Å; R70-I112 WeakPolarHBondContact O-CA 3.42Å; R70-Q113 HydrophobicContact CB-CB 4.44Å; R70-Q113 PolarHBondContact N-O 2.72Å; R70-Q113 PolarHBondContact O-N 2.84Å
71	P	93.5	Very high	89.9	Confident	2 Å²	2	67.7 Å²	67.7	1%	0.013	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	138.6	176.7	26.8	-33.8	0	0	0	110.2	Y25 V60 V63 H90	Y25-P71 HydrophobicContact CD1-CB 4.4Å; Y25-P71 HydrophobicContact CD1-CG 4.23Å; V60-P71 HydrophobicContact CG1-CB 4.03Å; V60-P71 HydrophobicContact CG1-CG 3.8Å; V63-P71 VanDerWaalsContact CG2-CD 3.5Å; V63-P71 HydrophobicContact CG2-CG 3.69Å; P71-H90 HydrophobicContact CG-CB 3.87Å; P71-H90 PolarHBondContact O-N 3.46Å; P71-H90 VanDerWaalsContact O-N 3.12Å
72	Y	95.5	Very high	90	Very high	41 Å²	41	69.6 Å²	69.6	16%	0.161	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136.9	170.3	-163.4	-79.2	0	0	0	108.4	R70 Y74 G87 L88 C111 Q113 V119	R70-Y72 PolarHBondContact O-N 3.26Å; Y72-Y74 HydrophobicContact CD1-CD2 4.42Å; Y72-Y74 HydrophobicContact CD1-CE1 4.47Å; Y72-Y74 HydrophobicContact CD1-CE2 4.13Å; Y72-Y74 AromaticContact CE1-CD1 3.96Å; Y72-Y74 HydrophobicContact CE1-CD1 3.96Å; Y72-Y74 HydrophobicContact CE1-CD2 4.34Å; Y72-Y74 AromaticContact CE1-CE1 3.53Å; Y72-Y74 HydrophobicContact CE1-CE1 3.53Å; Y72-Y74 AromaticContact CE1-CE2 3.92Å; Y72-Y74 HydrophobicContact CE1-CE2 3.92Å; Y72-Y74 HydrophobicContact CE1-CG 4.35Å; Y72-Y74 AromaticContact CE1-CZ 3.48Å; Y72-Y74 VanDerWaalsContact CE1-CZ 3.48Å; Y72-G87 WeakPolarHBondContact OH-CA 3.05Å; Y72-L88 CarbonylContact C-O 3.52Å; Y72-L88 WeakPolarHBondContact CA-O 3.49Å; Y72-C111 PolarHBondContact N-O 2.8Å; Y72-C111 VanDerWaalsContact N-O 3.14Å; Y72-C111 CarbonylContact O-C 3.58Å; Y72-C111 VanDerWaalsContact O-C 3.26Å; Y72-C111 VanDerWaalsContact O-CA 3.27Å; Y72-C111 WeakPolarHBondContact O-CA 3.22Å; Y72-C111 WeakPolarHBondContact O-CB 3Å; Y72-C111 PolarHBondContact O-N 3.26Å; Y72-Q113 HydrophobicContact CD2-CB 4.38Å; Y72-V119 HydrophobicContact CD1-CG1 3.66Å; Y72-V119 HydrophobicContact CD1-CG2 4.19Å; Y72-V119 HydrophobicContact CD2-CG2 3.84Å; Y72-V119 HydrophobicContact CE1-CG1 4.25Å; Y72-V119 HydrophobicContact CE1-CG2 4.39Å; Y72-V119 HydrophobicContact CE2-CG2 4.05Å; Y72-V119 HydrophobicContact CG-CG1 3.89Å; Y72-V119 HydrophobicContact CG-CG2 3.92Å
73	W	97.3	Very high	90.3	Very high	0 Å²	0	66 Å²	66	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.3	-174.9	-70.1	90.1	0	0	0	110.4	Y25 L27 V42 V60 G87 L88 I108 R110	Y25-W73 WeakPolarHBondContact O-CZ2 3.46Å; L27-W73 HydrophobicContact CB-CD2 3.61Å; L27-W73 HydrophobicContact CB-CE3 3.89Å; L27-W73 HydrophobicContact CB-CG 3.94Å; L27-W73 HydrophobicContact CB-CH2 4.36Å; L27-W73 HydrophobicContact CB-CZ2 4.14Å; L27-W73 HydrophobicContact CB-CZ3 4.24Å; L27-W73 HydrophobicContact CD1-CB 4.02Å; L27-W73 HydrophobicContact CD1-CG 4.12Å; L27-W73 HydrophobicContact CD2-CD2 4.47Å; L27-W73 HydrophobicContact CD2-CE3 4.16Å; L27-W73 HydrophobicContact CG-CD2 4.46Å; V42-W73 HydrophobicContact CG1-CH2 4.09Å; V42-W73 HydrophobicContact CG1-CZ3 3.89Å; V42-W73 WeakPolarHBondContact O-CH2 3.47Å; V42-W73 VanDerWaalsContact O-CZ2 3.26Å; V42-W73 WeakPolarHBondContact O-CZ2 2.98Å; V60-W73 HydrophobicContact CG2-CB 4.28Å; V60-W73 HydrophobicContact CG2-CG 4.18Å; W73-G87 CarbonylContact O-C 3.56Å; W73-G87 VanDerWaalsContact O-CA 3.31Å; W73-G87 WeakPolarHBondContact O-CA 3.19Å; W73-L88 PolarHBondContact N-O 3.33Å; W73-L88 PolarHBondContact O-N 3.18Å; W73-I108 HydrophobicContact CE3-CG2 3.52Å; W73-I108 HydrophobicContact CZ3-CG2 3.65Å; W73-R110 HydrophobicContact CD2-CB 4.43Å; W73-R110 HydrophobicContact CD2-CG 4.37Å; W73-R110 HydrophobicContact CE3-CB 3.95Å; W73-R110 HydrophobicContact CE3-CG 4.36Å; W73-R110 HydrophobicContact CH2-CB 3.72Å; W73-R110 HydrophobicContact CH2-CG 3.76Å; W73-R110 HydrophobicContact CZ2-CB 4.18Å; W73-R110 HydrophobicContact CZ2-CG 3.72Å; W73-R110 HydrophobicContact CZ3-CB 3.6Å; W73-R110 HydrophobicContact CZ3-CG 4.09Å
74	Y	97.5	Very high	90.7	Very high	55 Å²	55	72.8 Å²	72.8	22%	0.216	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.6	167.4	-72.9	-63.8	0	0	0	110.5	Y72 F76 I85 T86 I108 K109 C111 V119	Y72-Y74 HydrophobicContact CD1-CD2 4.42Å; Y72-Y74 HydrophobicContact CD1-CE1 4.47Å; Y72-Y74 HydrophobicContact CD1-CE2 4.13Å; Y72-Y74 AromaticContact CE1-CD1 3.96Å; Y72-Y74 HydrophobicContact CE1-CD1 3.96Å; Y72-Y74 HydrophobicContact CE1-CD2 4.34Å; Y72-Y74 AromaticContact CE1-CE1 3.53Å; Y72-Y74 HydrophobicContact CE1-CE1 3.53Å; Y72-Y74 AromaticContact CE1-CE2 3.92Å; Y72-Y74 HydrophobicContact CE1-CE2 3.92Å; Y72-Y74 HydrophobicContact CE1-CG 4.35Å; Y72-Y74 AromaticContact CE1-CZ 3.48Å; Y72-Y74 VanDerWaalsContact CE1-CZ 3.48Å; Y74-F76 VanDerWaalsContact CB-CE2 3.42Å; Y74-F76 HydrophobicContact CG-CE2 4.49Å; Y74-F76 HydrophobicContact CG-CZ 4.38Å; Y74-I85 HydrophobicContact CD1-CD1 3.38Å; Y74-I85 HydrophobicContact CD1-CG1 3.55Å; Y74-I85 HydrophobicContact CD2-CD1 4.39Å; Y74-I85 HydrophobicContact CE1-CD1 3.71Å; Y74-I85 HydrophobicContact CE1-CG1 4.18Å; Y74-I85 HydrophobicContact CG-CD1 3.76Å; Y74-I85 HydrophobicContact CG-CG1 4.12Å; Y74-T86 CarbonylContact C-O 3.53Å; Y74-T86 VanDerWaalsContact CA-O 3.31Å; Y74-T86 WeakPolarHBondContact CA-O 3.33Å; Y74-I108 CarbonylContact O-C 3.54Å; Y74-I108 WeakPolarHBondContact O-CA 3.31Å; Y74-K109 PolarHBondContact N-O 3.19Å; Y74-K109 PolarHBondContact O-N 3.34Å; Y74-C111 VanDerWaalsContact CD2-SG 3.57Å; Y74-V119 HydrophobicContact CE2-CG1 3.95Å
75	L	97.6	Very high	91.4	Very high	0 Å²	0	71 Å²	71	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	143.1	170.7	-37.8	175.2	0	0	0	109.1	L27 V58 I85 T86 L88 F97 I105 I108	L27-L75 HydrophobicContact CD1-CD2 4.36Å; L27-L75 HydrophobicContact CD2-CD2 3.38Å; L27-L75 HydrophobicContact CG-CD2 4.49Å; V58-L75 HydrophobicContact CG1-CD1 4.04Å; V58-L75 HydrophobicContact CG2-CD1 4.24Å; L75-I85 WeakPolarHBondContact O-CA 3.22Å; L75-T86 HydrophobicContact CB-CG2 3.68Å; L75-T86 HydrophobicContact CD1-CG2 3.86Å; L75-T86 HydrophobicContact CG-CG2 3.9Å; L75-T86 PolarHBondContact N-O 2.82Å; L75-T86 PolarHBondContact O-N 2.87Å; L75-L88 HydrophobicContact CD1-CD1 3.95Å; L75-L88 HydrophobicContact CG-CD1 4.12Å; L75-F97 HydrophobicContact CD1-CE2 3.59Å; L75-F97 HydrophobicContact CD1-CZ 3.78Å; L75-I105 HydrophobicContact CB-CD1 4.35Å; L75-I105 HydrophobicContact CB-CG1 4.24Å; L75-I105 HydrophobicContact CB-CG2 4.09Å; L75-I105 HydrophobicContact CD1-CD1 3.61Å; L75-I105 HydrophobicContact CD1-CG1 4.28Å; L75-I105 HydrophobicContact CD2-CD1 4.46Å; L75-I105 HydrophobicContact CG-CD1 4.36Å; L75-I108 HydrophobicContact CD2-CG1 4.03Å; L75-I108 HydrophobicContact CD2-CG2 4.04Å
76	F	97	Very high	92.3	Very high	14 Å²	14	69.6 Å²	69.6	6%	0.061	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	137.2	-175.2	-63.3	-92.4	0	0	0	110.3	Y74 N78 Y81 T82 R84 I85 I105 S106 S107 K109	Y74-F76 VanDerWaalsContact CB-CE2 3.42Å; Y74-F76 HydrophobicContact CG-CE2 4.49Å; Y74-F76 HydrophobicContact CG-CZ 4.38Å; F76-N78 PolarHBondContact O-N 2.82Å; F76-Y81 HydrophobicContact CD2-CD1 4.08Å; F76-Y81 VanDerWaalsContact CE1-O 3.32Å; F76-Y81 WeakPolarHBondContact CE1-O 3.24Å; F76-Y81 HydrophobicContact CE2-CD1 4.09Å; F76-Y81 HydrophobicContact CE2-CG 4.39Å; F76-T82 WeakPolarHBondContact CB-O 3.49Å; F76-R84 VanDerWaalsContact CA-O 3.31Å; F76-R84 WeakPolarHBondContact CA-O 3.43Å; F76-I85 HydrophobicContact CD1-CB 4.27Å; F76-I85 HydrophobicContact CD1-CD1 4.48Å; F76-I85 HydrophobicContact CD1-CG1 4.18Å; F76-I85 HydrophobicContact CE1-CB 4.08Å; F76-I85 HydrophobicContact CE1-CD1 3.53Å; F76-I85 HydrophobicContact CE1-CG1 3.67Å; F76-I85 HydrophobicContact CZ-CD1 3.6Å; F76-I85 HydrophobicContact CZ-CG1 3.92Å; F76-I105 CarbonylContact O-C 3.26Å; F76-S106 PolarHBondContact O-N 3.42Å; F76-S107 WeakPolarHBondContact CB-OG 2.91Å; F76-S107 PolarHBondContact N-O 3.46Å; F76-S107 PolarHBondContact O-N 3.43Å; F76-K109 HydrophobicContact CE2-CB 3.72Å
77	D	96.9	Very high	93.4	Very high	49 Å²	49	65.9 Å²	65.9	26%	0.262	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-15	177.5	68.2	-8.2	0	0	0	112.6	G83 R84 F102 G104 S106	D77-G83 VanDerWaalsContact OD1-CA 3.23Å; D77-G83 WeakPolarHBondContact OD1-CA 3.42Å; D77-R84 HydrophobicContact CB-CB 4.32Å; D77-R84 VanDerWaalsContact CG-N 3.32Å; D77-R84 PolarHBondContact N-O 2.83Å; D77-R84 PolarHBondContact OD1-N 2.49Å; D77-R84 VanDerWaalsContact OD2-CB 3.24Å; D77-R84 WeakPolarHBondContact OD2-CB 3.44Å; D77-R84 WeakPolarHBondContact OD2-CD 3.48Å; D77-R84 WeakPolarHBondContact OD2-CG 3.26Å; D77-R84 PolarHBondContact OD2-N 3.02Å; D77-F102 HydrophobicContact CB-CD1 3.66Å; D77-F102 HydrophobicContact CB-CE1 3.94Å; D77-G104 WeakPolarHBondContact CA-O 2.97Å; D77-S106 WeakPolarHBondContact O-CB 3.05Å; D77-S106 PolarHBondContact O-OG 2.83Å
78	N	96.5	Very high	94.6	Very high	80 Å²	80	57.3 Å²	57.3	43%	0.428	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	161.7	175.7	-157.9	-0.3	0	0	0	112	F76 T82 S107	F76-N78 PolarHBondContact O-N 2.82Å; N78-T82 WeakPolarHBondContact CB-O 3.08Å; N78-T82 PolarHBondContact N-O 2.84Å; N78-S107 PolarHBondContact O-OG 3.3Å
79	V	95.2	Very high	95.5	Very high	44 Å²	44	50.3 Å²	50.3	27%	0.267	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-67.2	166.1	178.7	-60.1	0	0	0	0	111.2	S48 Y81 T82	S48-V79 WeakPolarHBondContact OG-CG1 3.37Å; V79-Y81 PolarHBondContact O-N 3.14Å; V79-T82 PolarHBondContact O-N 2.76Å; V79-T82 PolarHBondContact O-OG1 2.85Å
80	N	95.8	Very high	95.9	Very high	115 Å²	115	47.2 Å²	47.2	62%	0.615	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	56.2	30.4	177.3	-59.3	-51.9	0	0	0	114.7	G47	G47-N80 PolarHBondContact O-N 2.91Å
81	Y	95.7	Very high	96	Very high	51 Å²	51	45.4 Å²	45.4	20%	0.2	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	63.4	45.7	177.1	-38	-59.9	0	0	0	112.9	S45 V46 G47 F76 V79 S107 I108 K109 Q124	S45-Y81 WeakPolarHBondContact CB-OH 3.16Å; V46-Y81 WeakPolarHBondContact O-CE1 3.39Å; G47-Y81 PolarHBondContact N-OH 3.32Å; F76-Y81 HydrophobicContact CD2-CD1 4.08Å; F76-Y81 VanDerWaalsContact CE1-O 3.32Å; F76-Y81 WeakPolarHBondContact CE1-O 3.24Å; F76-Y81 HydrophobicContact CE2-CD1 4.09Å; F76-Y81 HydrophobicContact CE2-CG 4.39Å; V79-Y81 PolarHBondContact O-N 3.14Å; Y81-S107 VanDerWaalsContact CA-OG 3.3Å; Y81-S107 WeakPolarHBondContact CA-OG 3.18Å; Y81-S107 PolarHBondContact N-OG 3.39Å; Y81-I108 VanDerWaalsContact CE1-O 3.22Å; Y81-I108 WeakPolarHBondContact CE1-O 3.4Å; Y81-K109 HydrophobicContact CD1-CB 3.76Å; Y81-K109 HydrophobicContact CD1-CD 4.27Å; Y81-K109 HydrophobicContact CD1-CG 4.16Å; Y81-K109 HydrophobicContact CD2-CD 4.27Å; Y81-K109 HydrophobicContact CE1-CB 4.02Å; Y81-K109 HydrophobicContact CE1-CG 4.26Å; Y81-K109 HydrophobicContact CG-CB 4.33Å; Y81-K109 HydrophobicContact CG-CD 4Å; Y81-K109 HydrophobicContact CG-CG 4.36Å; Y81-Q124 PolarHBondContact OH-OE1 3.15Å
82	T	95.7	Very high	96.1	Very high	65 Å²	65	48.4 Å²	48.4	40%	0.399	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	170.4	-178	65.4	0	0	0	0	111.6	F76 N78 V79	F76-T82 WeakPolarHBondContact CB-O 3.49Å; N78-T82 WeakPolarHBondContact CB-O 3.08Å; N78-T82 PolarHBondContact N-O 2.84Å; V79-T82 PolarHBondContact O-N 2.76Å; V79-T82 PolarHBondContact O-OG1 2.85Å
83	G	95.7	Very high	96.2	Very high	58 Å²	58	49 Å²	49	60%	0.598	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	84.6	-150.3	179.3	0	0	0	0	0	113.2	D77	D77-G83 VanDerWaalsContact OD1-CA 3.23Å; D77-G83 WeakPolarHBondContact OD1-CA 3.42Å
84	R	96.6	Very high	96.2	Very high	152 Å²	152	50.9 Å²	50.9	57%	0.574	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	145.6	175.6	-66	177.5	169.8	-126.8	-6	109.8	F76 D77 G101 F102	F76-R84 VanDerWaalsContact CA-O 3.31Å; F76-R84 WeakPolarHBondContact CA-O 3.43Å; D77-R84 HydrophobicContact CB-CB 4.32Å; D77-R84 VanDerWaalsContact CG-N 3.32Å; D77-R84 PolarHBondContact N-O 2.83Å; D77-R84 PolarHBondContact OD1-N 2.49Å; D77-R84 VanDerWaalsContact OD2-CB 3.24Å; D77-R84 WeakPolarHBondContact OD2-CB 3.44Å; D77-R84 WeakPolarHBondContact OD2-CD 3.48Å; D77-R84 WeakPolarHBondContact OD2-CG 3.26Å; D77-R84 PolarHBondContact OD2-N 3.02Å; R84-G101 PolarHBondContact NH1-O 3.25Å; R84-F102 HydrophobicContact CB-CE1 4.22Å; R84-F102 HydrophobicContact CB-CE2 4.19Å; R84-F102 HydrophobicContact CB-CZ 3.86Å; R84-F102 WeakPolarHBondContact O-CE1 3.34Å
85	I	96.5	Very high	96.2	Very high	93 Å²	93	51.6 Å²	51.6	48%	0.477	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.5	-175.9	-168.8	175.1	0	0	0	110.5	Y74 L75 F76	Y74-I85 HydrophobicContact CD1-CD1 3.38Å; Y74-I85 HydrophobicContact CD1-CG1 3.55Å; Y74-I85 HydrophobicContact CD2-CD1 4.39Å; Y74-I85 HydrophobicContact CE1-CD1 3.71Å; Y74-I85 HydrophobicContact CE1-CG1 4.18Å; Y74-I85 HydrophobicContact CG-CD1 3.76Å; Y74-I85 HydrophobicContact CG-CG1 4.12Å; L75-I85 WeakPolarHBondContact O-CA 3.22Å; F76-I85 HydrophobicContact CD1-CB 4.27Å; F76-I85 HydrophobicContact CD1-CD1 4.48Å; F76-I85 HydrophobicContact CD1-CG1 4.18Å; F76-I85 HydrophobicContact CE1-CB 4.08Å; F76-I85 HydrophobicContact CE1-CD1 3.53Å; F76-I85 HydrophobicContact CE1-CG1 3.67Å; F76-I85 HydrophobicContact CZ-CD1 3.6Å; F76-I85 HydrophobicContact CZ-CG1 3.92Å
86	T	96.9	Very high	96.2	Very high	27 Å²	27	52.9 Å²	52.9	17%	0.166	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	137.2	168.3	-173.1	0	0	0	0	108.9	Y74 L75 L88 F97 F102	Y74-T86 CarbonylContact C-O 3.53Å; Y74-T86 VanDerWaalsContact CA-O 3.31Å; Y74-T86 WeakPolarHBondContact CA-O 3.33Å; L75-T86 HydrophobicContact CB-CG2 3.68Å; L75-T86 HydrophobicContact CD1-CG2 3.86Å; L75-T86 HydrophobicContact CG-CG2 3.9Å; L75-T86 PolarHBondContact N-O 2.82Å; L75-T86 PolarHBondContact O-N 2.87Å; T86-L88 HydrophobicContact CG2-CD1 4.4Å; T86-F97 HydrophobicContact CG2-CE2 3.93Å; T86-F97 HydrophobicContact CG2-CZ 4.23Å; T86-F102 HydrophobicContact CG2-CE1 4.34Å; T86-F102 HydrophobicContact CG2-CE2 3.89Å; T86-F102 HydrophobicContact CG2-CZ 3.76Å
87	G	96.2	Very high	96.2	Very high	29 Å²	29	52.5 Å²	52.5	30%	0.299	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.7	-174.3	0	0	0	0	0	111.1	Y72 W73	Y72-G87 WeakPolarHBondContact OH-CA 3.05Å; W73-G87 CarbonylContact O-C 3.56Å; W73-G87 VanDerWaalsContact O-CA 3.31Å; W73-G87 WeakPolarHBondContact O-CA 3.19Å
88	L	97.2	Very high	96	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.9	177	-61.3	92.6	0	0	0	109.7	V58 V60 Y72 W73 L75 T86 I94	V58-L88 HydrophobicContact CB-CD2 4.24Å; V58-L88 HydrophobicContact CG1-CD1 4.4Å; V58-L88 HydrophobicContact CG1-CD2 3.87Å; V60-L88 HydrophobicContact CG2-CB 3.64Å; Y72-L88 CarbonylContact C-O 3.52Å; Y72-L88 WeakPolarHBondContact CA-O 3.49Å; W73-L88 PolarHBondContact N-O 3.33Å; W73-L88 PolarHBondContact O-N 3.18Å; L75-L88 HydrophobicContact CD1-CD1 3.95Å; L75-L88 HydrophobicContact CG-CD1 4.12Å; T86-L88 HydrophobicContact CG2-CD1 4.4Å; L88-I94 HydrophobicContact CD1-CD1 4.07Å; L88-I94 HydrophobicContact CD2-CD1 3.86Å; L88-I94 HydrophobicContact CD2-CG1 3.86Å; L88-I94 HydrophobicContact CG-CD1 4.03Å; L88-I94 HydrophobicContact CG-CG1 4.42Å
89	G	94.8	Very high	95.9	Very high	9 Å²	9	58.7 Å²	58.7	9%	0.093	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	168.8	169.4	0	0	0	0	0	111.7	V60 T92	V60-G89 WeakPolarHBondContact CB-O 3.32Å; G89-T92 WeakPolarHBondContact O-CB 3.22Å; G89-T92 PolarHBondContact O-N 2.65Å; G89-T92 VanDerWaalsContact O-N 3.12Å; G89-T92 PolarHBondContact O-OG1 3.27Å
90	H	93.8	Very high	95.6	Very high	27 Å²	27	58.6 Å²	58.6	13%	0.125	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	140.6	173.1	81.7	125.5	0	0	0	112.9	F62 V63 R70 P71 T92	F62-H90 AromaticContact CD2-CE1 3.77Å; F62-H90 AromaticContact CD2-ND1 3.65Å; F62-H90 AromaticContact CE2-CE1 3.4Å; F62-H90 WeakPolarHBondContact CE2-CE1 3.17Å; F62-H90 AromaticContact CE2-ND1 3.74Å; V63-H90 HydrophobicContact CB-CB 4.45Å; V63-H90 PolarHBondContact N-ND1 3.36Å; V63-H90 PolarHBondContact O-ND1 3.42Å; V63-H90 VanDerWaalsContact O-ND1 3.15Å; R70-H90 HydrophobicContact CB-CB 4.44Å; R70-H90 VanDerWaalsContact CD-CE1 3.48Å; R70-H90 WeakPolarHBondContact CD-CE1 3.39Å; R70-H90 VanDerWaalsContact CD-NE2 3.31Å; R70-H90 WeakPolarHBondContact CD-NE2 3.32Å; R70-H90 PolarHBondContact NH1-NE2 3.34Å; P71-H90 HydrophobicContact CG-CB 3.87Å; P71-H90 PolarHBondContact O-N 3.46Å; P71-H90 VanDerWaalsContact O-N 3.12Å; H90-T92 PolarHBondContact O-N 3.01Å
91	G	93.6	Very high	95.2	Very high	42 Å²	42	55.1 Å²	55.1	43%	0.433	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	5	-179.1	0	0	0	0	0	115.3	V60 P61	V60-G91 VanDerWaalsContact O-CA 3.31Å; V60-G91 WeakPolarHBondContact O-CA 3.3Å; V60-G91 PolarHBondContact O-N 3.08Å; P61-G91 PolarHBondContact O-N 3.27Å
92	T	96.2	Very high	94.9	Very high	64 Å²	64	53.7 Å²	53.7	39%	0.393	32%	0.323	S	S	.	.			trans	-95.4	136.6	176.3	-52.8	0	0	0	0	109.9	C59 V60 G89 H90	C59-T92 WeakPolarHBondContact CA-O 3.37Å; V60-T92 PolarHBondContact N-O 3.46Å; G89-T92 WeakPolarHBondContact O-CB 3.22Å; G89-T92 PolarHBondContact O-N 2.65Å; G89-T92 VanDerWaalsContact O-N 3.12Å; G89-T92 PolarHBondContact O-OG1 3.27Å; H90-T92 PolarHBondContact O-N 3.01Å
93	C	97.1	Very high	94.5	Very high	54 Å²	54	59.7 Å²	59.7	37%	0.365	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	151.4	171	-68.7	0	0	0	0	110.4	E35 V58 C59	E35-C93 WeakPolarHBondContact OE1-CB 3.28Å; V58-C93 CarbonylContact O-C 3.56Å; V58-C93 VanDerWaalsContact O-CA 3.28Å; V58-C93 WeakPolarHBondContact O-CA 3.22Å; C59-C93 HydrophobicContact CB-CB 4.2Å; C59-C93 WeakPolarHBondContact CB-SG 3.06Å; C59-C93 WeakPolarHBondContact SG-CB 3.33Å; C59-C93 CovalentContact SG-SG 2.04Å; C59-C93 PolarHBondContact SG-SG 3.17Å
94	I	97.5	Very high	94.5	Very high	39 Å²	39	57.1 Å²	57.1	20%	0.2	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	98.7	165.5	-60.2	172.5	0	0	0	106	S57 V58 L88 D96 F97	S57-I94 VanDerWaalsContact CA-O 3.22Å; S57-I94 WeakPolarHBondContact CA-O 3.27Å; S57-I94 WeakPolarHBondContact CB-O 3.22Å; V58-I94 PolarHBondContact N-O 3.48Å; V58-I94 VanDerWaalsContact N-O 3.16Å; V58-I94 PolarHBondContact O-N 3.19Å; L88-I94 HydrophobicContact CD1-CD1 4.07Å; L88-I94 HydrophobicContact CD2-CD1 3.86Å; L88-I94 HydrophobicContact CD2-CG1 3.86Å; L88-I94 HydrophobicContact CG-CD1 4.03Å; L88-I94 HydrophobicContact CG-CG1 4.42Å; I94-D96 PolarHBondContact O-N 2.59Å; I94-F97 HydrophobicContact CB-CD2 4.38Å; I94-F97 HydrophobicContact CD1-CD2 4.04Å; I94-F97 HydrophobicContact CD1-CE2 4.19Å; I94-F97 HydrophobicContact CG2-CB 4.32Å; I94-F97 HydrophobicContact CG2-CD2 4.12Å
95	D	97.3	Very high	94.6	Very high	70 Å²	70	49.9 Å²	49.9	37%	0.374	29%	0.293	S	S	.	.	S	Bend	trans	-62	-30	-173.7	-55.9	3.1	0	0	0	113	T33 Y34 S57	T33-D95 CarbonylContact C-O 3.57Å; T33-D95 WeakPolarHBondContact CA-O 3.07Å; T33-D95 VanDerWaalsContact CB-O 3.22Å; T33-D95 WeakPolarHBondContact CB-O 3.25Å; Y34-D95 HydrophobicContact CD1-CB 3.53Å; Y34-D95 HydrophobicContact CE1-CB 3.66Å; Y34-D95 HydrophobicContact CG-CB 4.16Å; Y34-D95 PolarHBondContact N-O 3.27Å; S57-D95 WeakPolarHBondContact CB-O 3.42Å
96	D	97.3	Very high	94.6	Very high	28 Å²	28	46 Å²	46	15%	0.15	27%	0.274	C	S	.	.			trans	-134.4	85.6	177.5	-170.4	-13.1	0	0	0	110	T33 I94 T98 K99	T33-D96 HydrophobicContact CG2-CB 4.21Å; I94-D96 PolarHBondContact O-N 2.59Å; D96-T98 PolarHBondContact O-N 2.81Å; D96-T98 WeakPolarHBondContact OD1-CB 2.83Å; D96-T98 PolarHBondContact OD1-N 2.97Å; D96-T98 PolarHBondContact OD1-OG1 2.88Å; D96-K99 HydrophobicContact CB-CD 4.48Å; D96-K99 PolarHBondContact O-N 2.93Å; D96-K99 WeakPolarHBondContact OD2-CD 3.43Å; D96-K99 WeakPolarHBondContact OD2-CE 3.19Å; D96-K99 IonicContact OD2-NZ 2.68Å; D96-K99 PolarHBondContact OD2-NZ 2.94Å
97	F	97.1	Very high	94.6	Very high	5 Å²	5	44.7 Å²	44.7	2%	0.022	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-68	-22.9	-179	-166.5	-96.8	0	0	0	112.1	P55 G56 V58 L75 T86 I94 K99 S100 F102 I105	P55-F97 HydrophobicContact CG-CB 4.39Å; P55-F97 HydrophobicContact CG-CD1 3.63Å; P55-F97 HydrophobicContact CG-CE1 4.12Å; P55-F97 HydrophobicContact CG-CG 4.03Å; G56-F97 PolarHBondContact O-N 2.81Å; V58-F97 HydrophobicContact CB-CD2 4.29Å; V58-F97 HydrophobicContact CG2-CB 4.26Å; V58-F97 HydrophobicContact CG2-CD2 3.64Å; V58-F97 HydrophobicContact CG2-CE2 4.11Å; V58-F97 HydrophobicContact CG2-CG 3.9Å; L75-F97 HydrophobicContact CD1-CE2 3.59Å; L75-F97 HydrophobicContact CD1-CZ 3.78Å; T86-F97 HydrophobicContact CG2-CE2 3.93Å; T86-F97 HydrophobicContact CG2-CZ 4.23Å; I94-F97 HydrophobicContact CB-CD2 4.38Å; I94-F97 HydrophobicContact CD1-CD2 4.04Å; I94-F97 HydrophobicContact CD1-CE2 4.19Å; I94-F97 HydrophobicContact CG2-CB 4.32Å; I94-F97 HydrophobicContact CG2-CD2 4.12Å; F97-K99 PolarHBondContact O-N 2.88Å; F97-S100 WeakPolarHBondContact O-CB 2.79Å; F97-S100 PolarHBondContact O-N 2.99Å; F97-S100 PolarHBondContact O-OG 2.74Å; F97-F102 HydrophobicContact CE1-CB 3.91Å; F97-F102 HydrophobicContact CE1-CG 4.31Å; F97-F102 HydrophobicContact CZ-CB 4.15Å; F97-F102 HydrophobicContact CZ-CD1 4.33Å; F97-F102 HydrophobicContact CZ-CD2 4.38Å; F97-F102 HydrophobicContact CZ-CG 4.04Å; F97-I105 HydrophobicContact CE1-CD1 3.92Å; F97-I105 HydrophobicContact CE1-CG1 3.79Å; F97-I105 HydrophobicContact CZ-CD1 3.91Å; F97-I105 HydrophobicContact CZ-CG1 3.85Å
98	T	93.3	Very high	94.6	Very high	96 Å²	96	43.3 Å²	43.3	59%	0.589	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-64.4	-22.4	177.5	77.9	0	0	0	0	112.3	D96	D96-T98 PolarHBondContact O-N 2.81Å; D96-T98 WeakPolarHBondContact OD1-CB 2.83Å; D96-T98 PolarHBondContact OD1-N 2.97Å; D96-T98 PolarHBondContact OD1-OG1 2.88Å
99	K	93.7	Very high	94.6	Very high	163 Å²	163	45.3 Å²	45.3	71%	0.709	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-93.3	2.8	175.5	-66.3	-179.6	-176.1	139.7	0	114.3	D96 F97 G101	D96-K99 HydrophobicContact CB-CD 4.48Å; D96-K99 PolarHBondContact O-N 2.93Å; D96-K99 WeakPolarHBondContact OD2-CD 3.43Å; D96-K99 WeakPolarHBondContact OD2-CE 3.19Å; D96-K99 IonicContact OD2-NZ 2.68Å; D96-K99 PolarHBondContact OD2-NZ 2.94Å; F97-K99 PolarHBondContact O-N 2.88Å; K99-G101 PolarHBondContact O-N 3.46Å
100	S	89	Confident	94.6	Very high	42 Å²	42	48.2 Å²	48.2	29%	0.294	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-14.2	179.4	68.2	0	0	0	0	113.9	F97 F102	F97-S100 WeakPolarHBondContact O-CB 2.79Å; F97-S100 PolarHBondContact O-N 2.99Å; F97-S100 PolarHBondContact O-OG 2.74Å; S100-F102 WeakPolarHBondContact OG-CD2 3.48Å; S100-F102 PolarHBondContact OG-N 3.12Å
101	G	88.3	Confident	94.7	Very high	42 Å²	42	47 Å²	47	43%	0.433	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	15.2	-173.3	0	0	0	0	0	114.2	R84 K99	R84-G101 PolarHBondContact NH1-O 3.25Å; K99-G101 PolarHBondContact O-N 3.46Å
102	F	89	Confident	94.6	Very high	22 Å²	22	46.4 Å²	46.4	10%	0.096	25%	0.25	C	C	.	.			trans	-94.5	136.5	167.1	-77	-114.2	0	0	0	109.6	D77 R84 T86 F97 S100 G104	D77-F102 HydrophobicContact CB-CD1 3.66Å; D77-F102 HydrophobicContact CB-CE1 3.94Å; R84-F102 HydrophobicContact CB-CE1 4.22Å; R84-F102 HydrophobicContact CB-CE2 4.19Å; R84-F102 HydrophobicContact CB-CZ 3.86Å; R84-F102 WeakPolarHBondContact O-CE1 3.34Å; T86-F102 HydrophobicContact CG2-CE1 4.34Å; T86-F102 HydrophobicContact CG2-CE2 3.89Å; T86-F102 HydrophobicContact CG2-CZ 3.76Å; F97-F102 HydrophobicContact CE1-CB 3.91Å; F97-F102 HydrophobicContact CE1-CG 4.31Å; F97-F102 HydrophobicContact CZ-CB 4.15Å; F97-F102 HydrophobicContact CZ-CD1 4.33Å; F97-F102 HydrophobicContact CZ-CD2 4.38Å; F97-F102 HydrophobicContact CZ-CG 4.04Å; S100-F102 WeakPolarHBondContact OG-CD2 3.48Å; S100-F102 PolarHBondContact OG-N 3.12Å; F102-G104 VanDerWaalsContact C-N 3.35Å
103	E	87.7	Confident	94.4	Very high	190 Å²	190	45.2 Å²	45.2	89%	0.888	24%	0.239	S	C	*	.	S	Bend	trans	-78.4	-24.9	168.4	-66.2	-176.8	174.1	0	0	111.9	T54	T54-E103 WeakPolarHBondContact CG2-O 3.41Å
104	G	95.4	Very high	94.1	Very high	4 Å²	4	43.2 Å²	43.2	4%	0.041	23%	0.226	C	C	.	.			trans	175.5	167.6	178.2	0	0	0	0	0	110.5	W53 D77 F102	W53-G104 CarbonylContact O-C 3.54Å; W53-G104 WeakPolarHBondContact O-CA 3.29Å; D77-G104 WeakPolarHBondContact CA-O 2.97Å; F102-G104 VanDerWaalsContact C-N 3.35Å
105	I	97.7	Very high	93.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-97.8	113.9	179.2	-57.1	166.3	0	0	0	108.1	L29 L49 P52 W53 P55 L75 F76 F97 S107 I108	L29-I105 HydrophobicContact CD2-CD1 3.65Å; L49-I105 HydrophobicContact CD1-CG2 4.2Å; L49-I105 WeakPolarHBondContact CD1-O 3.44Å; P52-I105 CarbonylContact C-O 3.57Å; P52-I105 VanDerWaalsContact CA-O 3.31Å; P52-I105 WeakPolarHBondContact CA-O 3.34Å; W53-I105 HydrophobicContact CB-CB 4.5Å; W53-I105 PolarHBondContact N-O 3.16Å; W53-I105 PolarHBondContact O-N 2.88Å; P55-I105 HydrophobicContact CG-CD1 3.73Å; L75-I105 HydrophobicContact CB-CD1 4.35Å; L75-I105 HydrophobicContact CB-CG1 4.24Å; L75-I105 HydrophobicContact CB-CG2 4.09Å; L75-I105 HydrophobicContact CD1-CD1 3.61Å; L75-I105 HydrophobicContact CD1-CG1 4.28Å; L75-I105 HydrophobicContact CD2-CD1 4.46Å; L75-I105 HydrophobicContact CG-CD1 4.36Å; F76-I105 CarbonylContact O-C 3.26Å; F97-I105 HydrophobicContact CE1-CD1 3.92Å; F97-I105 HydrophobicContact CE1-CG1 3.79Å; F97-I105 HydrophobicContact CZ-CD1 3.91Å; F97-I105 HydrophobicContact CZ-CG1 3.85Å; I105-S107 WeakPolarHBondContact CG2-O 3.42Å; I105-I108 HydrophobicContact CG2-CD1 4.12Å; I105-I108 HydrophobicContact CG2-CG1 3.53Å
106	S	97.1	Very high	93.1	Very high	11 Å²	11	51.4 Å²	51.4	8%	0.077	26%	0.263	C	S	.	.	S	Bend	trans	-101.6	-17.9	179.8	-61.2	0	0	0	0	112.9	S48 L49 P52 F76 D77	S48-S106 CarbonylContact C-O 3.57Å; S48-S106 WeakPolarHBondContact CA-O 3.31Å; L49-S106 PolarHBondContact N-O 3.05Å; P52-S106 WeakPolarHBondContact CG-OG 3.28Å; F76-S106 PolarHBondContact O-N 3.42Å; D77-S106 WeakPolarHBondContact O-CB 3.05Å; D77-S106 PolarHBondContact O-OG 2.83Å
107	S	96.9	Very high	92.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	155	166.4	62.7	0	0	0	0	112.6	V46 F76 N78 Y81 I105	V46-S107 CarbonylContact O-C 3.52Å; V46-S107 VanDerWaalsContact O-CA 3.29Å; V46-S107 WeakPolarHBondContact O-CA 3.32Å; V46-S107 WeakPolarHBondContact O-CB 3.4Å; F76-S107 WeakPolarHBondContact CB-OG 2.91Å; F76-S107 PolarHBondContact N-O 3.46Å; F76-S107 PolarHBondContact O-N 3.43Å; N78-S107 PolarHBondContact O-OG 3.3Å; Y81-S107 VanDerWaalsContact CA-OG 3.3Å; Y81-S107 WeakPolarHBondContact CA-OG 3.18Å; Y81-S107 PolarHBondContact N-OG 3.39Å; I105-S107 WeakPolarHBondContact CG2-O 3.42Å
108	I	96.8	Very high	92.4	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.6	-174.7	-61.3	173.2	0	0	0	108.5	L27 V42 S45 V46 L49 W53 W73 Y74 L75 Y81 I105	L27-I108 HydrophobicContact CD2-CD1 4.12Å; L27-I108 HydrophobicContact CD2-CG2 3.77Å; V42-I108 HydrophobicContact CG1-CD1 4.34Å; V42-I108 HydrophobicContact CG1-CG2 4.28Å; V42-I108 HydrophobicContact CG2-CD1 4.18Å; S45-I108 CarbonylContact C-O 3.52Å; S45-I108 WeakPolarHBondContact CA-O 3.06Å; S45-I108 VanDerWaalsContact CB-O 3.23Å; S45-I108 WeakPolarHBondContact CB-O 3.48Å; V46-I108 HydrophobicContact CB-CB 4.5Å; V46-I108 PolarHBondContact N-O 3.01Å; V46-I108 PolarHBondContact O-N 3.39Å; L49-I108 HydrophobicContact CD1-CD1 3.97Å; L49-I108 HydrophobicContact CD1-CG1 4.21Å; W53-I108 HydrophobicContact CE3-CD1 4.3Å; W53-I108 HydrophobicContact CZ3-CD1 4.32Å; W73-I108 HydrophobicContact CE3-CG2 3.52Å; W73-I108 HydrophobicContact CZ3-CG2 3.65Å; Y74-I108 CarbonylContact O-C 3.54Å; Y74-I108 WeakPolarHBondContact O-CA 3.31Å; L75-I108 HydrophobicContact CD2-CG1 4.03Å; L75-I108 HydrophobicContact CD2-CG2 4.04Å; Y81-I108 VanDerWaalsContact CE1-O 3.22Å; Y81-I108 WeakPolarHBondContact CE1-O 3.4Å; I105-I108 HydrophobicContact CG2-CD1 4.12Å; I105-I108 HydrophobicContact CG2-CG1 3.53Å
109	K	96.2	Very high	92.4	Very high	43 Å²	43	54.4 Å²	54.4	19%	0.187	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121	177.5	-157.7	174	-161	176.1	0	110.6	Y74 F76 Y81 C121	Y74-K109 PolarHBondContact N-O 3.19Å; Y74-K109 PolarHBondContact O-N 3.34Å; F76-K109 HydrophobicContact CE2-CB 3.72Å; Y81-K109 HydrophobicContact CD1-CB 3.76Å; Y81-K109 HydrophobicContact CD1-CD 4.27Å; Y81-K109 HydrophobicContact CD1-CG 4.16Å; Y81-K109 HydrophobicContact CD2-CD 4.27Å; Y81-K109 HydrophobicContact CE1-CB 4.02Å; Y81-K109 HydrophobicContact CE1-CG 4.26Å; Y81-K109 HydrophobicContact CG-CB 4.33Å; Y81-K109 HydrophobicContact CG-CD 4Å; Y81-K109 HydrophobicContact CG-CG 4.36Å; K109-C121 HydrophobicContact CD-CB 4.06Å; K109-C121 HydrophobicContact CG-CB 4.42Å
110	R	95.4	Very high	92.4	Very high	71 Å²	71	50.4 Å²	50.4	27%	0.268	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	129.7	170.3	-172.1	175.7	172.5	-167.6	-6.7	109.9	Y43 S45 W73 I122	Y43-R110 WeakPolarHBondContact O-CD 3.05Å; Y43-R110 PolarHBondContact O-NH1 3.39Å; S45-R110 PolarHBondContact OG-N 3.12Å; W73-R110 HydrophobicContact CD2-CB 4.43Å; W73-R110 HydrophobicContact CD2-CG 4.37Å; W73-R110 HydrophobicContact CE3-CB 3.95Å; W73-R110 HydrophobicContact CE3-CG 4.36Å; W73-R110 HydrophobicContact CH2-CB 3.72Å; W73-R110 HydrophobicContact CH2-CG 3.76Å; W73-R110 HydrophobicContact CZ2-CB 4.18Å; W73-R110 HydrophobicContact CZ2-CG 3.72Å; W73-R110 HydrophobicContact CZ3-CB 3.6Å; W73-R110 HydrophobicContact CZ3-CG 4.09Å; R110-I122 PolarHBondContact O-N 2.7Å
111	C	95.7	Very high	92.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	177.2	175.7	-48	0	0	0	0	109.2	Y72 Y74 V119 E120 C121	Y72-C111 PolarHBondContact N-O 2.8Å; Y72-C111 VanDerWaalsContact N-O 3.14Å; Y72-C111 CarbonylContact O-C 3.58Å; Y72-C111 VanDerWaalsContact O-C 3.26Å; Y72-C111 VanDerWaalsContact O-CA 3.27Å; Y72-C111 WeakPolarHBondContact O-CA 3.22Å; Y72-C111 WeakPolarHBondContact O-CB 3Å; Y72-C111 PolarHBondContact O-N 3.26Å; Y74-C111 VanDerWaalsContact CD2-SG 3.57Å; C111-V119 HydrophobicContact CB-CG1 3.73Å; C111-E120 CarbonylContact C-O 3.35Å; C111-E120 VanDerWaalsContact CA-O 3.32Å; C111-E120 WeakPolarHBondContact CA-O 3.4Å; C111-E120 WeakPolarHBondContact CB-O 3.41Å; C111-C121 HydrophobicContact CB-CB 3.94Å; C111-C121 WeakPolarHBondContact CB-SG 3.38Å; C111-C121 WeakPolarHBondContact SG-CA 3.19Å; C111-C121 WeakPolarHBondContact SG-CB 3.33Å; C111-C121 CovalentContact SG-SG 2.05Å; C111-C121 PolarHBondContact SG-SG 2.95Å
112	I	92.7	Very high	92.1	Very high	31 Å²	31	52.3 Å²	52.3	16%	0.159	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	143.6	174.7	47.2	164.5	0	0	0	107.6	E69 R70 V119 E120	E69-I112 HydrophobicContact CB-CB 4.08Å; E69-I112 HydrophobicContact CB-CG2 4.35Å; E69-I112 VanDerWaalsContact CD-CD1 3.48Å; E69-I112 WeakPolarHBondContact OE2-CD1 3.42Å; R70-I112 CarbonylContact O-C 3.59Å; R70-I112 WeakPolarHBondContact O-CA 3.42Å; I112-V119 CarbonylContact O-C 3.37Å; I112-V119 VanDerWaalsContact O-CA 3.3Å; I112-V119 WeakPolarHBondContact O-CA 3.31Å; I112-E120 HydrophobicContact CD1-CB 4.13Å; I112-E120 HydrophobicContact CG1-CB 3.96Å; I112-E120 WeakPolarHBondContact CG1-O 3.42Å; I112-E120 PolarHBondContact N-O 2.78Å; I112-E120 PolarHBondContact O-N 3.35Å
113	Q	91.4	Very high	91	Very high	38 Å²	38	57.3 Å²	57.3	18%	0.178	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	116.9	168.4	-171.2	179.5	42.7	0	0	108.3	R70 Y72 G117 K118 V119	R70-Q113 HydrophobicContact CB-CB 4.44Å; R70-Q113 PolarHBondContact N-O 2.72Å; R70-Q113 PolarHBondContact O-N 2.84Å; Y72-Q113 HydrophobicContact CD2-CB 4.38Å; Q113-G117 PolarHBondContact NE2-O 3.04Å; Q113-K118 CarbonylContact C-O 3.31Å; Q113-K118 VanDerWaalsContact CA-O 3.32Å; Q113-K118 WeakPolarHBondContact CA-O 3.48Å; Q113-V119 HydrophobicContact CB-CG2 4.35Å; Q113-V119 HydrophobicContact CG-CG2 4.2Å
114	T	89.8	Confident	89.6	Confident	13 Å²	13	51.8 Å²	51.8	8%	0.08	26%	0.264	C	S	.	.			trans	-71.6	170.4	177.8	58.9	0	0	0	0	110.7	D116 G117 K118 E120	T114-D116 VanDerWaalsContact C-N 3.29Å; T114-D116 WeakPolarHBondContact CB-OD1 3.45Å; T114-D116 PolarHBondContact O-N 3.26Å; T114-D116 PolarHBondContact OG1-OD1 3.22Å; T114-G117 PolarHBondContact O-N 2.73Å; T114-K118 PolarHBondContact N-O 3.39Å; T114-K118 WeakPolarHBondContact OG1-CB 3.31Å; T114-K118 PolarHBondContact OG1-N 3.12Å; T114-K118 PolarHBondContact OG1-O 2.01Å; T114-E120 HydrophobicContact CG2-CG 4.45Å
115	K	86.4	Confident	87.3	Confident	153 Å²	153	57.2 Å²	57.2	67%	0.665	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-30.7	-177.6	-68.8	-177.4	176.4	-174.7	0	113.3	T66 G117	T66-K115 WeakPolarHBondContact O-CE 3.46Å; T66-K115 PolarHBondContact O-NZ 3.5Å; K115-G117 PolarHBondContact O-N 2.54Å
116	D	88.3	Confident	84.9	Confident	128 Å²	128	66.8 Å²	66.8	68%	0.684	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-1.1	172.4	59.6	-46.4	0	0	0	113.1	T114	T114-D116 VanDerWaalsContact C-N 3.29Å; T114-D116 WeakPolarHBondContact CB-OD1 3.45Å; T114-D116 PolarHBondContact O-N 3.26Å; T114-D116 PolarHBondContact OG1-OD1 3.22Å
117	G	87	Confident	82.3	Confident	34 Å²	34	77.2 Å²	77.2	35%	0.351	38%	0.378	S	S	.	.	S	Bend	trans	90.1	-3.8	173.9	0	0	0	0	0	114.8	Q113 T114 K115	Q113-G117 PolarHBondContact NE2-O 3.04Å; T114-G117 PolarHBondContact O-N 2.73Å; K115-G117 PolarHBondContact O-N 2.54Å
118	K	92.4	Very high	79.2	Confident	116 Å²	116	88.3 Å²	88.3	50%	0.504	42%	0.42	S	S	.	.			trans	-65.9	138.5	174.8	-175	-174.8	178.6	-162.9	0	110.5	Q113 T114 E120	Q113-K118 CarbonylContact C-O 3.31Å; Q113-K118 VanDerWaalsContact CA-O 3.32Å; Q113-K118 WeakPolarHBondContact CA-O 3.48Å; T114-K118 PolarHBondContact N-O 3.39Å; T114-K118 WeakPolarHBondContact OG1-CB 3.31Å; T114-K118 PolarHBondContact OG1-N 3.12Å; T114-K118 PolarHBondContact OG1-O 2.01Å; K118-E120 HydrophobicContact CD-CG 4.11Å; K118-E120 VanDerWaalsContact CE-OE1 3.25Å; K118-E120 WeakPolarHBondContact CE-OE1 3.22Å; K118-E120 HydrophobicContact CG-CG 4.2Å; K118-E120 IonicContact NZ-OE1 3.73Å; K118-E120 PolarHBondContact NZ-OE1 2.98Å
119	V	93.9	Very high	76.2	Confident	42 Å²	42	97.8 Å²	97.8	26%	0.255	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	119.9	174.4	178.7	0	0	0	0	109.2	Y72 Y74 C111 I112 Q113	Y72-V119 HydrophobicContact CD1-CG1 3.66Å; Y72-V119 HydrophobicContact CD1-CG2 4.19Å; Y72-V119 HydrophobicContact CD2-CG2 3.84Å; Y72-V119 HydrophobicContact CE1-CG1 4.25Å; Y72-V119 HydrophobicContact CE1-CG2 4.39Å; Y72-V119 HydrophobicContact CE2-CG2 4.05Å; Y72-V119 HydrophobicContact CG-CG1 3.89Å; Y72-V119 HydrophobicContact CG-CG2 3.92Å; Y74-V119 HydrophobicContact CE2-CG1 3.95Å; C111-V119 HydrophobicContact CB-CG1 3.73Å; I112-V119 CarbonylContact O-C 3.37Å; I112-V119 VanDerWaalsContact O-CA 3.3Å; I112-V119 WeakPolarHBondContact O-CA 3.31Å; Q113-V119 HydrophobicContact CB-CG2 4.35Å; Q113-V119 HydrophobicContact CG-CG2 4.2Å
120	E	92.8	Very high	73.4	Confident	78 Å²	78	101.3 Å²	101.3	36%	0.364	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.6	177	-57.6	-166.1	157.8	0	0	109.9	C111 I112 T114 K118	C111-E120 CarbonylContact C-O 3.35Å; C111-E120 VanDerWaalsContact CA-O 3.32Å; C111-E120 WeakPolarHBondContact CA-O 3.4Å; C111-E120 WeakPolarHBondContact CB-O 3.41Å; I112-E120 HydrophobicContact CD1-CB 4.13Å; I112-E120 HydrophobicContact CG1-CB 3.96Å; I112-E120 WeakPolarHBondContact CG1-O 3.42Å; I112-E120 PolarHBondContact N-O 2.78Å; I112-E120 PolarHBondContact O-N 3.35Å; T114-E120 HydrophobicContact CG2-CG 4.45Å; K118-E120 HydrophobicContact CD-CG 4.11Å; K118-E120 VanDerWaalsContact CE-OE1 3.25Å; K118-E120 WeakPolarHBondContact CE-OE1 3.22Å; K118-E120 HydrophobicContact CG-CG 4.2Å; K118-E120 IonicContact NZ-OE1 3.73Å; K118-E120 PolarHBondContact NZ-OE1 2.98Å
121	C	91.5	Very high	70.5	Confident	44 Å²	44	106.5 Å²	106.5	30%	0.297	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	131.9	-175.9	-66.3	0	0	0	0	111.8	K109 C111 N123	K109-C121 HydrophobicContact CD-CB 4.06Å; K109-C121 HydrophobicContact CG-CB 4.42Å; C111-C121 HydrophobicContact CB-CB 3.94Å; C111-C121 WeakPolarHBondContact CB-SG 3.38Å; C111-C121 WeakPolarHBondContact SG-CA 3.19Å; C111-C121 WeakPolarHBondContact SG-CB 3.33Å; C111-C121 CovalentContact SG-SG 2.05Å; C111-C121 PolarHBondContact SG-SG 2.95Å; C121-N123 PolarHBondContact O-N 2.04Å
122	I	79.1	Confident	67.6	Low	80 Å²	80	111.3 Å²	111.3	41%	0.41	53%	0.534	S	S	.	.			trans	-73.9	106.8	177.8	-51.6	174.3	0	0	0	106.5	R110 Q124	R110-I122 PolarHBondContact O-N 2.7Å; I122-Q124 PolarHBondContact O-N 3.15Å; I122-Q124 VanDerWaalsContact O-N 3.07Å
123	N	67.3	Low	64.9	Low	128 Å²	128	121.5 Å²	121.5	68%	0.684	57%	0.571	S	S	*	*			trans	-60.5	115.9	167.7	-75.9	-34.2	0	0	0	107	C121	C121-N123 PolarHBondContact O-N 2.04Å
124	Q	58.6	Low	62.8	Low	73 Å²	73	132.2 Å²	132.2	34%	0.341	62%	0.617	S	S	.	*			trans	-55.3	133.6	169.9	-81.2	-164.9	-36.8	0	0	107.7	S45 Y81 I122 K126	S45-Q124 PolarHBondContact O-NE2 2.72Å; Y81-Q124 PolarHBondContact OH-OE1 3.15Å; I122-Q124 PolarHBondContact O-N 3.15Å; I122-Q124 VanDerWaalsContact O-N 3.07Å; Q124-K126 PolarHBondContact O-N 2.89Å
125	P	47.2	Very low	61.4	Low	119 Å²	119	138.2 Å²	138.2	77%	0.773	64%	0.644	S	S	*	*			trans	-54.8	114.4	172.4	20.5	-28.6	0	0	0	105.9	R127	P125-R127 PolarHBondContact O-N 3.19Å
126	K	45.5	Very low	60.1	Low	200 Å²	200	137.4 Å²	137.4	87%	0.87	64%	0.643	S	S	*	*			trans	-48.7	112.5	169.8	-72.7	-176.5	179.2	179.6	0	104.1	Q124 R128	Q124-K126 PolarHBondContact O-N 2.89Å; K126-R128 PolarHBondContact O-N 2.79Å
127	R	42.6	Very low	58.5	Low	231 Å²	231	137.9 Å²	137.9	87%	0.872	64%	0.641	S	S	*	*			trans	-44.4	111.5	175.4	-89.5	-176.6	167.9	172.6	-3.2	105.2	P125 R129	P125-R127 PolarHBondContact O-N 3.19Å; R127-R129 PolarHBondContact O-N 3.08Å
128	R	32.4	Very low	56.8	Low	233 Å²	233	144.1 Å²	144.1	88%	0.879	66%	0.658	S	S	*	*			trans	-51.5	115.5	162.9	-83.8	-175	174.7	179.5	-1.2	103	K126 T130	K126-R128 PolarHBondContact O-N 2.79Å; R128-T130 PolarHBondContact O-N 2.87Å
129	R	34.2	Very low	54.6	Low	198 Å²	198	145.8 Å²	145.8	75%	0.747	67%	0.667	S	S	*	*			trans	-59.2	93.4	169.6	-84.5	-175.9	-178.8	172.5	0.3	105.2	R127 Y131	R127-R129 PolarHBondContact O-N 3.08Å; R129-Y131 VanDerWaalsContact C-N 3.26Å; R129-Y131 HydrophobicContact CB-CD2 4.16Å; R129-Y131 HydrophobicContact CB-CE2 3.97Å; R129-Y131 PolarHBondContact NH1-OH 3.16Å; R129-Y131 PolarHBondContact O-N 3.3Å; R129-Y131 VanDerWaalsContact O-N 3.08Å
130	T	37	Very low	52	Low	117 Å²	117	152.7 Å²	152.7	72%	0.718	70%	0.695	S	S	*	*			trans	-70.7	99.4	157.9	-48	0	0	0	0	103.8	R128 C132	R128-T130 PolarHBondContact O-N 2.87Å; T130-C132 VanDerWaalsContact C-N 3.34Å; T130-C132 PolarHBondContact O-N 3.15Å
131	Y	35.2	Very low	49.1	Very low	181 Å²	181	158.1 Å²	158.1	71%	0.71	72%	0.718	S	S	*	*			trans	-61.2	102.2	165.6	-76.2	-96	0	0	0	106.4	R129 R133	R129-Y131 VanDerWaalsContact C-N 3.26Å; R129-Y131 HydrophobicContact CB-CD2 4.16Å; R129-Y131 HydrophobicContact CB-CE2 3.97Å; R129-Y131 PolarHBondContact NH1-OH 3.16Å; R129-Y131 PolarHBondContact O-N 3.3Å; R129-Y131 VanDerWaalsContact O-N 3.08Å; Y131-R133 PolarHBondContact O-N 3.42Å
132	C	34.5	Very low	45.8	Very low	100 Å²	100	166.8 Å²	166.8	68%	0.676	75%	0.751	S	S	*	*			trans	-70.6	106.6	159.2	-65.9	0	0	0	0	106	T130 F134	T130-C132 VanDerWaalsContact C-N 3.34Å; T130-C132 PolarHBondContact O-N 3.15Å; C132-F134 HydrophobicContact CB-CD2 4.4Å; C132-F134 HydrophobicContact CB-CE2 4.13Å; C132-F134 PolarHBondContact O-N 3.21Å
133	R	36.5	Very low	43.1	Very low	246 Å²	246	174.1 Å²	174.1	93%	0.928	78%	0.779	S	S	*	*			trans	-72.3	111.2	162	-129.8	179.2	-173.8	172	0.5	105.6	Y131	Y131-R133 PolarHBondContact O-N 3.42Å
134	F	45.8	Very low	40.9	Very low	263 Å²	263	178.3 Å²	178.3	100%	1.154	79%	0.788	S	S	*	*			trans	-99.8	0	149.7	-68.8	-78	0	0	0	106.7	C132	C132-F134 HydrophobicContact CB-CD2 4.4Å; C132-F134 HydrophobicContact CB-CE2 4.13Å; C132-F134 PolarHBondContact O-N 3.21Å

Retrieved 134 of 134 residues in 245.2 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).