A0A5K4F0S5_SCHMA Loading...

IL4_i_Ig domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F0S5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 134 aa.

						>A0A5K4F0S5_SCHMA|A0A5K4F0S5
MFLIAVLSYTLLSQLGITTSDSCKYCLQLYDKTYEMGSYIEVYKSLGSLSPPWTPGSVCVPFVNDTKRDRPYWYLFEKVNYKGRITGLGHGTCIDDFTKSGFKGISSIQKCIQTKDGKVECINEPKRRSIYCRI
					

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	55.5	Low	56	Low	222 Å²	222	118.7 Å²	118.7	100%	1.094	62%	0.621	S	S	*	*				0	13	0	-82.9	170.1	65.3	0	0	114.6
2	F	53.8	Low	55.9	Low	184 Å²	184	114.8 Å²	114.8	81%	0.807	60%	0.601	S	S	*	*			trans	-84.5	-25.2	176.1	-83.5	-85.6	0	0	0	114.5	I4 A5	F2-I4 VanDerWaalsContact C-N 3.34Å; F2-I4 PolarHBondContact O-N 3.09Å; F2-A5 PolarHBondContact O-N 3Å
3	L	52.7	Low	56	Low	142 Å²	142	110.5 Å²	110.5	74%	0.743	59%	0.586	S	S	*	*	H	α-helix	trans	-64.4	-33.4	-175	-99.8	101.7	0	0	0	114.3	L7	L3-L7 PolarHBondContact O-N 3.38Å
4	I	59.1	Low	56.2	Low	125 Å²	125	113.1 Å²	113.1	64%	0.641	59%	0.593	S	S	*	*	H	α-helix	trans	-71.6	-39.5	-176.5	-53.8	175.4	0	0	0	110.4	F2 V6 L7 S8	F2-I4 VanDerWaalsContact C-N 3.34Å; F2-I4 PolarHBondContact O-N 3.09Å; I4-V6 VanDerWaalsContact C-N 3.32Å; I4-V6 PolarHBondContact O-N 2.81Å; I4-L7 PolarHBondContact O-N 2.87Å; I4-S8 PolarHBondContact O-N 3.27Å; I4-S8 VanDerWaalsContact O-N 3.12Å; I4-S8 PolarHBondContact O-OG 2.92Å
5	A	55.9	Low	56.6	Low	64 Å²	64	109.7 Å²	109.7	53%	0.529	58%	0.576	S	S	.	*	H	α-helix	trans	-64.2	-37.2	179.5	0	0	0	0	0	112.3	F2 S8 Y9	F2-A5 PolarHBondContact O-N 3Å; A5-S8 PolarHBondContact O-N 3.08Å; A5-Y9 PolarHBondContact O-N 3.13Å; A5-Y9 VanDerWaalsContact O-N 3.14Å
6	V	57.1	Low	56.8	Low	90 Å²	90	104.1 Å²	104.1	55%	0.545	55%	0.552	S	S	.	*	H	α-helix	trans	-69.2	-39.8	178.2	-176.1	0	0	0	0	111.2	I4 S8 Y9 T10	I4-V6 VanDerWaalsContact C-N 3.32Å; I4-V6 PolarHBondContact O-N 2.81Å; V6-S8 PolarHBondContact O-N 2.98Å; V6-Y9 PolarHBondContact O-N 3.45Å; V6-T10 HydrophobicContact CG1-CG2 4.42Å; V6-T10 WeakPolarHBondContact O-CG2 3.47Å; V6-T10 PolarHBondContact O-N 3.47Å; V6-T10 PolarHBondContact O-OG1 3.41Å; V6-T10 VanDerWaalsContact O-OG1 3.13Å
7	L	54.3	Low	56.8	Low	103 Å²	103	98.7 Å²	98.7	54%	0.539	52%	0.524	S	S	.	.	H	α-helix	trans	-61.1	-44.2	175.4	-88.1	155.2	0	0	0	111.8	L3 I4 Y9 T10 L11	L3-L7 PolarHBondContact O-N 3.38Å; I4-L7 PolarHBondContact O-N 2.87Å; L7-Y9 PolarHBondContact O-N 2.73Å; L7-T10 PolarHBondContact O-N 3.01Å; L7-T10 PolarHBondContact O-OG1 3.4Å; L7-L11 PolarHBondContact O-N 3.33Å; L7-L11 VanDerWaalsContact O-N 3.11Å
8	S	58.9	Low	56.8	Low	61 Å²	61	96.5 Å²	96.5	43%	0.427	52%	0.515	S	S	.	.	H	α-helix	trans	-61.3	-44.7	176.6	-47.5	0	0	0	0	112.1	I4 A5 V6 L11 L12	I4-S8 PolarHBondContact O-N 3.27Å; I4-S8 VanDerWaalsContact O-N 3.12Å; I4-S8 PolarHBondContact O-OG 2.92Å; A5-S8 PolarHBondContact O-N 3.08Å; V6-S8 PolarHBondContact O-N 2.98Å; S8-L11 PolarHBondContact O-N 2.99Å; S8-L12 WeakPolarHBondContact O-CB 3.38Å; S8-L12 WeakPolarHBondContact O-CD1 3.44Å; S8-L12 VanDerWaalsContact O-CG 3.24Å; S8-L12 WeakPolarHBondContact O-CG 3.36Å; S8-L12 PolarHBondContact O-N 3.35Å
9	Y	54.4	Low	56.4	Low	152 Å²	152	97.2 Å²	97.2	60%	0.596	52%	0.523	S	S	*	.	H	α-helix	trans	-66.7	-39.8	-178.1	-166.4	-94.3	0	0	0	112.3	A5 V6 L7 L12 S13	A5-Y9 PolarHBondContact O-N 3.13Å; A5-Y9 VanDerWaalsContact O-N 3.14Å; V6-Y9 PolarHBondContact O-N 3.45Å; L7-Y9 PolarHBondContact O-N 2.73Å; Y9-L12 PolarHBondContact O-N 2.76Å; Y9-S13 WeakPolarHBondContact O-CB 3.42Å; Y9-S13 PolarHBondContact O-N 3.4Å; Y9-S13 PolarHBondContact O-OG 3.34Å
10	T	56.9	Low	55.9	Low	65 Å²	65	96.3 Å²	96.3	40%	0.399	52%	0.524	S	S	.	.	H	α-helix	trans	-66.4	-39.9	176.7	54.6	0	0	0	0	112.3	V6 L7 S13 Q14	V6-T10 HydrophobicContact CG1-CG2 4.42Å; V6-T10 WeakPolarHBondContact O-CG2 3.47Å; V6-T10 PolarHBondContact O-N 3.47Å; V6-T10 PolarHBondContact O-OG1 3.41Å; V6-T10 VanDerWaalsContact O-OG1 3.13Å; L7-T10 PolarHBondContact O-N 3.01Å; L7-T10 PolarHBondContact O-OG1 3.4Å; T10-S13 PolarHBondContact O-N 3.11Å; T10-Q14 WeakPolarHBondContact O-CG 3.39Å; T10-Q14 PolarHBondContact O-N 3.31Å
11	L	57.1	Low	55.6	Low	98 Å²	98	99.1 Å²	99.1	51%	0.513	54%	0.539	S	S	.	.	H	α-helix	trans	-63.3	-44.3	174	-100.2	132.2	0	0	0	112.3	L7 S8 S13 Q14 L15	L7-L11 PolarHBondContact O-N 3.33Å; L7-L11 VanDerWaalsContact O-N 3.11Å; S8-L11 PolarHBondContact O-N 2.99Å; L11-S13 VanDerWaalsContact C-N 3.35Å; L11-S13 PolarHBondContact O-N 3.42Å; L11-Q14 PolarHBondContact O-N 3.14Å; L11-L15 WeakPolarHBondContact O-CG 3.49Å; L11-L15 PolarHBondContact O-N 3.01Å
12	L	55.6	Low	55.8	Low	72 Å²	72	93 Å²	93	38%	0.377	52%	0.518	S	S	.	.	H	α-helix	trans	-62.7	-41.7	176.5	-71.1	165	0	0	0	111.6	S8 Y9 Q14 L15 G16 I17	S8-L12 WeakPolarHBondContact O-CB 3.38Å; S8-L12 WeakPolarHBondContact O-CD1 3.44Å; S8-L12 VanDerWaalsContact O-CG 3.24Å; S8-L12 WeakPolarHBondContact O-CG 3.36Å; S8-L12 PolarHBondContact O-N 3.35Å; Y9-L12 PolarHBondContact O-N 2.76Å; L12-Q14 PolarHBondContact O-N 3.49Å; L12-L15 CarbonylContact O-C 3.56Å; L12-L15 WeakPolarHBondContact O-CB 3.4Å; L12-L15 PolarHBondContact O-N 3.12Å; L12-G16 PolarHBondContact O-N 3.46Å; L12-G16 VanDerWaalsContact O-N 3.15Å; L12-I17 HydrophobicContact CB-CB 4.44Å; L12-I17 HydrophobicContact CD2-CB 4.33Å; L12-I17 HydrophobicContact CD2-CD1 3.71Å; L12-I17 HydrophobicContact CD2-CG2 4.28Å; L12-I17 PolarHBondContact O-N 3.4Å
13	S	56.7	Low	57.1	Low	58 Å²	58	84.9 Å²	84.9	41%	0.406	48%	0.484	S	S	.	.	H	α-helix	trans	-64.1	-39.6	176.8	-55.8	0	0	0	0	112.1	Y9 T10 L11 L15 G16	Y9-S13 WeakPolarHBondContact O-CB 3.42Å; Y9-S13 PolarHBondContact O-N 3.4Å; Y9-S13 PolarHBondContact O-OG 3.34Å; T10-S13 PolarHBondContact O-N 3.11Å; L11-S13 VanDerWaalsContact C-N 3.35Å; L11-S13 PolarHBondContact O-N 3.42Å; S13-L15 VanDerWaalsContact C-N 3.3Å; S13-L15 PolarHBondContact O-N 3.01Å; S13-G16 PolarHBondContact O-N 3.31Å
14	Q	58.1	Low	58.4	Low	147 Å²	147	85 Å²	85	69%	0.687	48%	0.479	S	S	*	.	H	α-helix	trans	-67.6	-30.3	175.4	-75.1	-178.5	-22.5	0	0	112.8	T10 L11 L12 G16 K44	T10-Q14 WeakPolarHBondContact O-CG 3.39Å; T10-Q14 PolarHBondContact O-N 3.31Å; L11-Q14 PolarHBondContact O-N 3.14Å; L12-Q14 PolarHBondContact O-N 3.49Å; Q14-G16 PolarHBondContact O-N 2.76Å; Q14-K44 PolarHBondContact O-NZ 3.48Å
15	L	62.2	Low	59.8	Low	63 Å²	63	82.8 Å²	82.8	33%	0.33	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-4.1	171.1	-71	162.8	0	0	0	112.8	L11 L12 S13 I17 K44 L46	L11-L15 WeakPolarHBondContact O-CG 3.49Å; L11-L15 PolarHBondContact O-N 3.01Å; L12-L15 CarbonylContact O-C 3.56Å; L12-L15 WeakPolarHBondContact O-CB 3.4Å; L12-L15 PolarHBondContact O-N 3.12Å; S13-L15 VanDerWaalsContact C-N 3.3Å; S13-L15 PolarHBondContact O-N 3.01Å; L15-I17 HydrophobicContact CB-CD1 3.75Å; L15-I17 HydrophobicContact CB-CG1 4.07Å; L15-I17 HydrophobicContact CD1-CD1 4.23Å; L15-K44 VanDerWaalsContact C-CE 3.45Å; L15-K44 WeakPolarHBondContact O-CE 3.24Å; L15-L46 HydrophobicContact CD2-CD2 3.99Å
16	G	60.7	Low	61.5	Low	20 Å²	20	79.8 Å²	79.8	21%	0.206	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	38.5	-178.5	0	0	0	0	0	112	L12 S13 Q14 Y43	L12-G16 PolarHBondContact O-N 3.46Å; L12-G16 VanDerWaalsContact O-N 3.15Å; S13-G16 PolarHBondContact O-N 3.31Å; Q14-G16 PolarHBondContact O-N 2.76Å; G16-Y43 WeakPolarHBondContact O-CD2 3.42Å
17	I	57.1	Low	63.4	Low	12 Å²	12	75.5 Å²	75.5	6%	0.062	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.5	175.4	-58.8	162	0	0	0	107.2	L12 L15 I40 E41 W53	L12-I17 HydrophobicContact CB-CB 4.44Å; L12-I17 HydrophobicContact CD2-CB 4.33Å; L12-I17 HydrophobicContact CD2-CD1 3.71Å; L12-I17 HydrophobicContact CD2-CG2 4.28Å; L12-I17 PolarHBondContact O-N 3.4Å; L15-I17 HydrophobicContact CB-CD1 3.75Å; L15-I17 HydrophobicContact CB-CG1 4.07Å; L15-I17 HydrophobicContact CD1-CD1 4.23Å; I17-I40 HydrophobicContact CG2-CB 4.22Å; I17-E41 WeakPolarHBondContact CA-O 3.03Å; I17-W53 HydrophobicContact CD1-CH2 3.68Å; I17-W53 HydrophobicContact CD1-CZ2 4.04Å
18	T	56	Low	65.3	Low	59 Å²	59	71.6 Å²	71.6	36%	0.362	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	166.5	175	56.2	0	0	0	0	110	E41 Y43	T18-E41 WeakPolarHBondContact O-CB 3.38Å; T18-E41 VanDerWaalsContact O-OE2 3.11Å; T18-Y43 WeakPolarHBondContact OG1-CE2 3.04Å; T18-Y43 PolarHBondContact OG1-OH 3.16Å
19	T	50	Low	67.1	Low	110 Å²	110	69 Å²	69	68%	0.675	37%	0.372	S	S	*	.			trans	-128.6	48.3	-177.4	57.1	0	0	0	0	111.1
20	S	45.7	Very low	69.2	Low	78 Å²	78	63.1 Å²	63.1	55%	0.545	35%	0.349	S	S	.	.			trans	-130.3	133.1	-167.9	119.7	0	0	0	0	112.5	E41	S20-E41 PolarHBondContact N-OE2 2.94Å
21	D	49.8	Very low	71	Confident	157 Å²	157	64.1 Å²	64.1	84%	0.84	35%	0.352	S	S	*	.	S	Bend	trans	14.6	103.3	171.4	-78.5	-21.1	0	0	0	117.4	C23	D21-C23 PolarHBondContact O-N 3.49Å
22	S	60.5	Low	72.9	Confident	94 Å²	94	65.2 Å²	65.2	66%	0.657	35%	0.352	S	S	*	.			trans	19.8	79.5	174.8	68.3	0	0	0	0	114.6	K24	S22-K24 PolarHBondContact O-N 3.42Å
23	C	79.5	Confident	74.9	Confident	13 Å²	13	64 Å²	64	9%	0.088	35%	0.348	C	S	.	.			trans	-58.5	126.7	169.7	158.2	0	0	0	0	111.2	D21 C26 E41 Y43 P61	D21-C23 PolarHBondContact O-N 3.49Å; C23-C26 HydrophobicContact CB-CB 4.14Å; C23-C26 WeakPolarHBondContact CB-SG 3.45Å; C23-C26 VanDerWaalsContact SG-CA 3.51Å; C23-C26 WeakPolarHBondContact SG-CB 3.09Å; C23-C26 PolarHBondContact SG-N 3.01Å; C23-C26 CovalentContact SG-SG 2.01Å; C23-C26 PolarHBondContact SG-SG 3.43Å; C23-E41 VanDerWaalsContact CB-OE1 3.26Å; C23-E41 WeakPolarHBondContact CB-OE1 3.49Å; C23-Y43 HydrophobicContact CB-CE1 3.8Å; C23-Y43 WeakPolarHBondContact CB-OH 3.41Å; C23-Y43 WeakPolarHBondContact SG-CE1 3.28Å; C23-P61 VanDerWaalsContact O-CG 3.32Å; C23-P61 WeakPolarHBondContact O-CG 3.18Å
24	K	81.4	Confident	76.8	Confident	145 Å²	145	67.6 Å²	67.6	63%	0.63	35%	0.354	S	S	*	.	S	Bend	trans	-83.7	-19.2	-176.7	-67.7	-176.3	179.2	179	0	115	S22 V63	S22-K24 PolarHBondContact O-N 3.42Å; K24-V63 WeakPolarHBondContact O-CG2 3.39Å
25	Y	87.5	Confident	78.5	Confident	78 Å²	78	63.6 Å²	63.6	31%	0.306	34%	0.335	S	S	.	.	S	Bend	trans	-133	15.4	-167.9	-64.2	-86.7	0	0	0	114.2	V63 P71	Y25-V63 HydrophobicContact CD1-CG2 4.23Å; Y25-V63 HydrophobicContact CE1-CG1 4.15Å; Y25-V63 HydrophobicContact CE1-CG2 4.07Å; Y25-P71 HydrophobicContact CD1-CB 4.4Å; Y25-P71 HydrophobicContact CD1-CG 4.2Å
26	C	92.7	Very high	80	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.346	C	S	.	.	S	Bend	trans	-95.6	171.5	176.5	45.7	0	0	0	0	111.2	C23 E41 V42 Y43 P61	C23-C26 HydrophobicContact CB-CB 4.14Å; C23-C26 WeakPolarHBondContact CB-SG 3.45Å; C23-C26 VanDerWaalsContact SG-CA 3.51Å; C23-C26 WeakPolarHBondContact SG-CB 3.09Å; C23-C26 PolarHBondContact SG-N 3.01Å; C23-C26 CovalentContact SG-SG 2.01Å; C23-C26 PolarHBondContact SG-SG 3.43Å; C26-E41 HydrophobicContact CB-CB 4.28Å; C26-V42 CarbonylContact C-O 3.54Å; C26-V42 WeakPolarHBondContact CA-O 3.39Å; C26-V42 WeakPolarHBondContact CB-O 3.36Å; C26-Y43 HydrophobicContact CB-CD1 4.21Å; C26-Y43 HydrophobicContact CB-CD2 4.41Å; C26-Y43 HydrophobicContact CB-CE1 4.24Å; C26-Y43 HydrophobicContact CB-CE2 4.48Å; C26-Y43 HydrophobicContact CB-CG 4.32Å; C26-P61 WeakPolarHBondContact O-CD 3.49Å
27	L	95.8	Very high	81.6	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134.5	161.3	174.5	78.3	0	0	0	108.4	L29 E41 V42 V58 V60 W73 L75 I108	L27-L29 HydrophobicContact CD2-CD1 3.63Å; L27-L29 HydrophobicContact CD2-CG 4.34Å; L27-L29 HydrophobicContact CG-CD1 3.76Å; L27-L29 HydrophobicContact CG-CG 4.47Å; L27-E41 CarbonylContact O-C 3.56Å; L27-E41 WeakPolarHBondContact O-CA 3.42Å; L27-V42 HydrophobicContact CB-CB 4.22Å; L27-V42 PolarHBondContact N-O 2.83Å; L27-V42 PolarHBondContact O-N 2.68Å; L27-V58 HydrophobicContact CD1-CG1 3.37Å; L27-V58 HydrophobicContact CG-CG1 4.11Å; L27-V60 HydrophobicContact CD1-CG2 3.89Å; L27-W73 HydrophobicContact CB-CD2 3.61Å; L27-W73 HydrophobicContact CB-CE3 3.94Å; L27-W73 HydrophobicContact CB-CG 3.92Å; L27-W73 HydrophobicContact CB-CH2 4.4Å; L27-W73 HydrophobicContact CB-CZ2 4.15Å; L27-W73 HydrophobicContact CB-CZ3 4.31Å; L27-W73 HydrophobicContact CD1-CB 4.01Å; L27-W73 HydrophobicContact CD1-CG 4.12Å; L27-W73 HydrophobicContact CD2-CD2 4.49Å; L27-W73 HydrophobicContact CD2-CE3 4.22Å; L27-W73 HydrophobicContact CG-CD2 4.48Å; L27-W73 HydrophobicContact CG-CG 4.5Å; L27-L75 HydrophobicContact CD1-CD2 4.42Å; L27-L75 HydrophobicContact CD2-CD2 3.44Å; L27-L75 VanDerWaalsContact CD2-CD2 3.44Å; L27-I108 HydrophobicContact CD2-CD1 4Å; L27-I108 HydrophobicContact CD2-CG2 3.73Å
28	Q	95.8	Very high	83.4	Confident	21 Å²	21	70.8 Å²	70.8	10%	0.098	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.9	176	-66	175.4	-26.2	0	0	109.2	Y30 Y39 I40 E41 V58 C59 P61	Q28-Y30 HydrophobicContact CB-CD2 4.41Å; Q28-Y30 HydrophobicContact CB-CE2 3.64Å; Q28-Y30 PolarHBondContact OE1-OH 3.45Å; Q28-Y39 HydrophobicContact CB-CD2 4.47Å; Q28-Y39 HydrophobicContact CG-CD2 4.28Å; Q28-I40 WeakPolarHBondContact CA-O 3.34Å; Q28-E41 HydrophobicContact CG-CG 4.43Å; Q28-V58 CarbonylContact O-C 3.55Å; Q28-V58 WeakPolarHBondContact O-CA 3.43Å; Q28-V58 WeakPolarHBondContact O-CG1 3.46Å; Q28-C59 HydrophobicContact CB-CB 4.5Å; Q28-C59 PolarHBondContact N-O 3.01Å; Q28-C59 PolarHBondContact O-N 3.15Å; Q28-P61 HydrophobicContact CG-CG 4.32Å
29	L	96.6	Very high	85.2	Confident	8 Å²	8	72 Å²	72	4%	0.042	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	116.6	176	-62.1	85.7	0	0	0	108.5	L27 Y39 I40 V42 W53 P55 V58 I105 I108	L27-L29 HydrophobicContact CD2-CD1 3.63Å; L27-L29 HydrophobicContact CD2-CG 4.34Å; L27-L29 HydrophobicContact CG-CD1 3.76Å; L27-L29 HydrophobicContact CG-CG 4.47Å; L29-Y39 WeakPolarHBondContact O-CA 3.28Å; L29-Y39 WeakPolarHBondContact O-CB 3.39Å; L29-I40 HydrophobicContact CB-CD1 4.22Å; L29-I40 HydrophobicContact CB-CG1 3.77Å; L29-I40 HydrophobicContact CD1-CD1 4.29Å; L29-I40 HydrophobicContact CD1-CG1 4.1Å; L29-I40 HydrophobicContact CG-CG1 4.46Å; L29-I40 PolarHBondContact N-O 2.87Å; L29-I40 PolarHBondContact O-N 3.32Å; L29-V42 HydrophobicContact CD1-CB 4.45Å; L29-V42 HydrophobicContact CD1-CG2 3.52Å; L29-W53 HydrophobicContact CD2-CE3 3.87Å; L29-W53 HydrophobicContact CD2-CZ3 4.49Å; L29-P55 HydrophobicContact CB-CB 4.06Å; L29-P55 HydrophobicContact CD2-CB 4.4Å; L29-P55 HydrophobicContact CD2-CG 4.18Å; L29-V58 HydrophobicContact CG-CG2 4.39Å; L29-I105 HydrophobicContact CD2-CD1 3.63Å; L29-I108 HydrophobicContact CD2-CD1 4.39Å
30	Y	96.5	Very high	87.3	Confident	28 Å²	28	69.2 Å²	69.2	11%	0.11	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	144.4	-177.2	-65.9	-96.5	0	0	0	110.6	Q28 K32 E35 Y39 P55 G56 S57 C59	Q28-Y30 HydrophobicContact CB-CD2 4.41Å; Q28-Y30 HydrophobicContact CB-CE2 3.64Å; Q28-Y30 PolarHBondContact OE1-OH 3.45Å; Y30-K32 VanDerWaalsContact C-N 3.3Å; Y30-E35 VanDerWaalsContact CD1-C 3.41Å; Y30-E35 HydrophobicContact CD1-CB 4.4Å; Y30-E35 WeakPolarHBondContact CD1-O 3.34Å; Y30-E35 HydrophobicContact CD2-CB 4.49Å; Y30-E35 HydrophobicContact CD2-CG 4.46Å; Y30-E35 HydrophobicContact CE1-CB 4.18Å; Y30-E35 WeakPolarHBondContact CE1-O 3.21Å; Y30-E35 HydrophobicContact CE2-CB 4.28Å; Y30-E35 HydrophobicContact CE2-CG 4.16Å; Y30-Y39 HydrophobicContact CD1-CD1 4.31Å; Y30-Y39 HydrophobicContact CD1-CG 4.26Å; Y30-Y39 AromaticContact CE1-CD1 3.8Å; Y30-Y39 HydrophobicContact CE1-CD1 3.8Å; Y30-Y39 AromaticContact CE1-CG 3.87Å; Y30-Y39 HydrophobicContact CE1-CG 3.87Å; Y30-P55 CarbonylContact O-C 3.55Å; Y30-P55 WeakPolarHBondContact O-CA 3.38Å; Y30-P55 WeakPolarHBondContact O-CB 3.07Å; Y30-G56 PolarHBondContact O-N 2.91Å; Y30-S57 PolarHBondContact N-O 2.79Å; Y30-C59 HydrophobicContact CE2-CB 4.16Å
31	D	94.7	Very high	89.6	Confident	86 Å²	86	65.6 Å²	65.6	46%	0.46	34%	0.338	S	S	.	.	S	Bend	trans	-70	-26.2	177.1	64.5	3.3	0	0	0	112.9	G37 S38	D31-G37 WeakPolarHBondContact OD1-CA 3.35Å; D31-S38 VanDerWaalsContact CG-N 3.28Å; D31-S38 PolarHBondContact N-O 2.89Å; D31-S38 PolarHBondContact OD1-N 2.75Å; D31-S38 PolarHBondContact OD2-N 3.36Å; D31-S38 VanDerWaalsContact OD2-N 3.12Å
32	K	97.5	Very high	91.7	Very high	120 Å²	120	58.1 Å²	58.1	52%	0.522	30%	0.298	S	S	.	.	S	Bend	trans	-116.6	167.7	178.3	-64.8	172.1	-174.4	-178.5	0	111.9	Y30 M36 G56 S57	Y30-K32 VanDerWaalsContact C-N 3.3Å; K32-M36 HydrophobicContact CB-CB 3.88Å; K32-M36 WeakPolarHBondContact CB-O 3.35Å; K32-M36 HydrophobicContact CD-CB 4.27Å; K32-M36 PolarHBondContact N-O 2.9Å; K32-G56 CarbonylContact O-C 3.53Å; K32-G56 VanDerWaalsContact O-C 3.29Å; K32-G56 WeakPolarHBondContact O-CA 3.25Å; K32-S57 PolarHBondContact O-N 3.25Å
33	T	97.3	Very high	93.2	Very high	47 Å²	47	56.7 Å²	56.7	29%	0.288	28%	0.279	S	S	.	.	S	Bend	trans	-68.7	162.6	172.7	54.1	0	0	0	0	111.2	E35 M36 D95 D96	T33-E35 VanDerWaalsContact C-N 3.34Å; T33-E35 PolarHBondContact O-N 3.03Å; T33-M36 WeakPolarHBondContact O-CB 3.17Å; T33-M36 WeakPolarHBondContact O-CG 3.14Å; T33-M36 PolarHBondContact O-N 2.97Å; T33-D95 CarbonylContact C-O 3.43Å; T33-D95 WeakPolarHBondContact CA-O 3.3Å; T33-D95 WeakPolarHBondContact CB-O 3.12Å; T33-D96 HydrophobicContact CG2-CB 4.1Å
34	Y	96.4	Very high	93.8	Very high	133 Å²	133	59.4 Å²	59.4	52%	0.522	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	43.6	175.8	-54.6	-82.5	0	0	0	113.8	M36 D95	Y34-M36 VanDerWaalsContact O-CG 3.29Å; Y34-M36 WeakPolarHBondContact O-CG 3.34Å; Y34-M36 PolarHBondContact O-N 2.98Å; Y34-D95 HydrophobicContact CD1-CB 3.53Å; Y34-D95 HydrophobicContact CE1-CB 3.61Å; Y34-D95 HydrophobicContact CG-CB 4.24Å; Y34-D95 PolarHBondContact N-O 3.18Å
35	E	95	Very high	94.4	Very high	63 Å²	63	52.7 Å²	52.7	29%	0.294	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	24.7	174	-61.8	66	-119.8	0	0	113	Y30 T33 S57 C59	Y30-E35 VanDerWaalsContact CD1-C 3.41Å; Y30-E35 HydrophobicContact CD1-CB 4.4Å; Y30-E35 WeakPolarHBondContact CD1-O 3.34Å; Y30-E35 HydrophobicContact CD2-CB 4.49Å; Y30-E35 HydrophobicContact CD2-CG 4.46Å; Y30-E35 HydrophobicContact CE1-CB 4.18Å; Y30-E35 WeakPolarHBondContact CE1-O 3.21Å; Y30-E35 HydrophobicContact CE2-CB 4.28Å; Y30-E35 HydrophobicContact CE2-CG 4.16Å; T33-E35 VanDerWaalsContact C-N 3.34Å; T33-E35 PolarHBondContact O-N 3.03Å; E35-S57 WeakPolarHBondContact CA-OG 3.44Å; E35-S57 PolarHBondContact N-OG 2.04Å; E35-S57 PolarHBondContact OE1-OG 2.77Å; E35-C59 WeakPolarHBondContact CG-SG 3.16Å; E35-C59 PolarHBondContact OE1-SG 2.97Å
36	M	94.4	Very high	94.7	Very high	115 Å²	115	49.4 Å²	49.4	57%	0.567	25%	0.248	S	C	*	.			trans	-92.5	156.9	-177.7	-61.9	-167.6	76.9	0	0	111.8	K32 T33 Y34	K32-M36 HydrophobicContact CB-CB 3.88Å; K32-M36 WeakPolarHBondContact CB-O 3.35Å; K32-M36 HydrophobicContact CD-CB 4.27Å; K32-M36 PolarHBondContact N-O 2.9Å; T33-M36 WeakPolarHBondContact O-CB 3.17Å; T33-M36 WeakPolarHBondContact O-CG 3.14Å; T33-M36 PolarHBondContact O-N 2.97Å; Y34-M36 VanDerWaalsContact O-CG 3.29Å; Y34-M36 WeakPolarHBondContact O-CG 3.34Å; Y34-M36 PolarHBondContact O-N 2.98Å
37	G	94	Very high	94.8	Very high	45 Å²	45	50.4 Å²	50.4	46%	0.464	26%	0.258	S	S	.	.	S	Bend	trans	77.3	-157.3	170.6	0	0	0	0	0	113.9	D31	D31-G37 WeakPolarHBondContact OD1-CA 3.35Å
38	S	94.2	Very high	94.8	Very high	86 Å²	86	53.9 Å²	53.9	60%	0.601	28%	0.282	S	S	*	.			trans	-76.4	144.5	-176.9	-55.3	0	0	0	0	109.6	D31	D31-S38 VanDerWaalsContact CG-N 3.28Å; D31-S38 PolarHBondContact N-O 2.89Å; D31-S38 PolarHBondContact OD1-N 2.75Å; D31-S38 PolarHBondContact OD2-N 3.36Å; D31-S38 VanDerWaalsContact OD2-N 3.12Å
39	Y	93.8	Very high	94.7	Very high	85 Å²	85	53.4 Å²	53.4	33%	0.333	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	158.7	175.7	67	-83.8	0	0	0	111.6	Q28 L29 Y30 E41	Q28-Y39 HydrophobicContact CB-CD2 4.47Å; Q28-Y39 HydrophobicContact CG-CD2 4.28Å; L29-Y39 WeakPolarHBondContact O-CA 3.28Å; L29-Y39 WeakPolarHBondContact O-CB 3.39Å; Y30-Y39 HydrophobicContact CD1-CD1 4.31Å; Y30-Y39 HydrophobicContact CD1-CG 4.26Å; Y30-Y39 AromaticContact CE1-CD1 3.8Å; Y30-Y39 HydrophobicContact CE1-CD1 3.8Å; Y30-Y39 AromaticContact CE1-CG 3.87Å; Y30-Y39 HydrophobicContact CE1-CG 3.87Å; Y39-E41 HydrophobicContact CD2-CG 3.84Å; Y39-E41 HydrophobicContact CE2-CG 3.54Å
40	I	93.6	Very high	94.5	Very high	52 Å²	52	58.5 Å²	58.5	27%	0.267	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	145.1	168.9	58.9	171.3	0	0	0	109.5	I17 Q28 L29 W53	I17-I40 HydrophobicContact CG2-CB 4.22Å; Q28-I40 WeakPolarHBondContact CA-O 3.34Å; L29-I40 HydrophobicContact CB-CD1 4.22Å; L29-I40 HydrophobicContact CB-CG1 3.77Å; L29-I40 HydrophobicContact CD1-CD1 4.29Å; L29-I40 HydrophobicContact CD1-CG1 4.1Å; L29-I40 HydrophobicContact CG-CG1 4.46Å; L29-I40 PolarHBondContact N-O 2.87Å; L29-I40 PolarHBondContact O-N 3.32Å; I40-W53 HydrophobicContact CD1-CD2 3.99Å; I40-W53 HydrophobicContact CD1-CE3 3.47Å; I40-W53 VanDerWaalsContact CD1-CE3 3.47Å; I40-W53 HydrophobicContact CD1-CH2 3.48Å; I40-W53 VanDerWaalsContact CD1-CH2 3.48Å; I40-W53 HydrophobicContact CD1-CZ2 4.01Å; I40-W53 HydrophobicContact CD1-CZ3 3.19Å; I40-W53 HydrophobicContact CG1-CZ3 4.47Å
41	E	94.8	Very high	94.4	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.3	176.1	-58.7	-178.6	126.6	0	0	109.5	I17 T18 S20 C23 C26 L27 Q28 Y39 Y43	I17-E41 WeakPolarHBondContact CA-O 3.03Å; T18-E41 WeakPolarHBondContact O-CB 3.38Å; T18-E41 VanDerWaalsContact O-OE2 3.11Å; S20-E41 PolarHBondContact N-OE2 2.94Å; C23-E41 VanDerWaalsContact CB-OE1 3.26Å; C23-E41 WeakPolarHBondContact CB-OE1 3.49Å; C26-E41 HydrophobicContact CB-CB 4.28Å; L27-E41 CarbonylContact O-C 3.56Å; L27-E41 WeakPolarHBondContact O-CA 3.42Å; Q28-E41 HydrophobicContact CG-CG 4.43Å; Y39-E41 HydrophobicContact CD2-CG 3.84Å; Y39-E41 HydrophobicContact CE2-CG 3.54Å; E41-Y43 HydrophobicContact CB-CD2 4.22Å; E41-Y43 HydrophobicContact CB-CE2 3.39Å; E41-Y43 WeakPolarHBondContact O-CD2 3.41Å; E41-Y43 PolarHBondContact OE2-OH 2.9Å
42	V	93.9	Very high	94.4	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.2	178.4	-179.2	0	0	0	0	109.3	C26 L27 L29 K44 L46 W53 W73 I108	C26-V42 CarbonylContact C-O 3.54Å; C26-V42 WeakPolarHBondContact CA-O 3.39Å; C26-V42 WeakPolarHBondContact CB-O 3.36Å; L27-V42 HydrophobicContact CB-CB 4.22Å; L27-V42 PolarHBondContact N-O 2.83Å; L27-V42 PolarHBondContact O-N 2.68Å; L29-V42 HydrophobicContact CD1-CB 4.45Å; L29-V42 HydrophobicContact CD1-CG2 3.52Å; V42-K44 VanDerWaalsContact CG1-O 3.26Å; V42-K44 WeakPolarHBondContact CG1-O 3.4Å; V42-L46 HydrophobicContact CG1-CD1 4.02Å; V42-L46 HydrophobicContact CG1-CG 4.39Å; V42-W53 HydrophobicContact CG2-CH2 4.34Å; V42-W53 HydrophobicContact CG2-CZ3 3.74Å; V42-W73 HydrophobicContact CG1-CH2 4.07Å; V42-W73 HydrophobicContact CG1-CZ3 3.92Å; V42-W73 WeakPolarHBondContact O-CH2 3.26Å; V42-W73 VanDerWaalsContact O-CZ2 3.27Å; V42-W73 WeakPolarHBondContact O-CZ2 3.36Å; V42-I108 HydrophobicContact CG1-CD1 4.42Å; V42-I108 HydrophobicContact CG1-CG2 4.3Å; V42-I108 HydrophobicContact CG2-CD1 4.22Å
43	Y	91.7	Very high	94.4	Very high	64 Å²	64	57.8 Å²	57.8	25%	0.251	33%	0.325	S	S	.	.			trans	-108.2	-14.7	-171.5	-67.7	-101.6	0	0	0	114.6	G16 T18 C23 C26 E41 K110	G16-Y43 WeakPolarHBondContact O-CD2 3.42Å; T18-Y43 WeakPolarHBondContact OG1-CE2 3.04Å; T18-Y43 PolarHBondContact OG1-OH 3.16Å; C23-Y43 HydrophobicContact CB-CE1 3.8Å; C23-Y43 WeakPolarHBondContact CB-OH 3.41Å; C23-Y43 WeakPolarHBondContact SG-CE1 3.28Å; C26-Y43 HydrophobicContact CB-CD1 4.21Å; C26-Y43 HydrophobicContact CB-CD2 4.41Å; C26-Y43 HydrophobicContact CB-CE1 4.24Å; C26-Y43 HydrophobicContact CB-CE2 4.48Å; C26-Y43 HydrophobicContact CB-CG 4.32Å; E41-Y43 HydrophobicContact CB-CD2 4.22Å; E41-Y43 HydrophobicContact CB-CE2 3.39Å; E41-Y43 WeakPolarHBondContact O-CD2 3.41Å; E41-Y43 PolarHBondContact OE2-OH 2.9Å; Y43-K110 WeakPolarHBondContact O-CD 3.47Å; Y43-K110 PolarHBondContact O-NZ 2.99Å
44	K	92.1	Very high	94.3	Very high	70 Å²	70	60.6 Å²	60.6	30%	0.304	34%	0.342	S	S	.	.	S	Bend	trans	-140.1	173	-177.4	67.7	176.5	177	-169.3	0	111.1	Q14 L15 V42 E124	Q14-K44 PolarHBondContact O-NZ 3.48Å; L15-K44 VanDerWaalsContact C-CE 3.45Å; L15-K44 WeakPolarHBondContact O-CE 3.24Å; V42-K44 VanDerWaalsContact CG1-O 3.26Å; V42-K44 WeakPolarHBondContact CG1-O 3.4Å; K44-E124 WeakPolarHBondContact CB-OE1 3.13Å
45	S	94.4	Very high	94.4	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.021	32%	0.32	C	S	.	.			trans	-71.9	150.3	176.9	-54.4	0	0	0	0	109.9	Y81 I108 K110 E124	S45-Y81 WeakPolarHBondContact CB-OH 3.34Å; S45-I108 CarbonylContact C-O 3.52Å; S45-I108 WeakPolarHBondContact CA-O 3.2Å; S45-I108 WeakPolarHBondContact CB-O 3.28Å; S45-K110 PolarHBondContact OG-N 2.7Å; S45-E124 PolarHBondContact N-OE1 3.1Å
46	L	94.2	Very high	94.5	Very high	10 Å²	10	52 Å²	52	5%	0.052	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-128.3	104.7	176.3	-63.2	175.9	0	0	0	107.7	L15 V42 S48 L49 W53 S107 I108	L15-L46 HydrophobicContact CD2-CD2 3.99Å; V42-L46 HydrophobicContact CG1-CD1 4.02Å; V42-L46 HydrophobicContact CG1-CG 4.39Å; L46-S48 PolarHBondContact O-N 3.39Å; L46-L49 HydrophobicContact CB-CD2 4.42Å; L46-L49 HydrophobicContact CB-CG 4.46Å; L46-L49 HydrophobicContact CD1-CD2 3.87Å; L46-W53 HydrophobicContact CD1-CH2 3.96Å; L46-W53 HydrophobicContact CD1-CZ3 4.09Å; L46-S107 CarbonylContact O-C 3.55Å; L46-S107 WeakPolarHBondContact O-CA 3.3Å; L46-S107 WeakPolarHBondContact O-CB 3.42Å; L46-I108 HydrophobicContact CB-CB 4.38Å; L46-I108 HydrophobicContact CD1-CD1 4.41Å; L46-I108 PolarHBondContact N-O 3.12Å; L46-I108 PolarHBondContact O-N 3.41Å
47	G	94.1	Very high	94.6	Very high	21 Å²	21	46.6 Å²	46.6	22%	0.216	28%	0.282	C	S	.	.	S	Bend	trans	-70.7	-17.7	-178.3	0	0	0	0	0	114.2	N80 Y81	G47-N80 PolarHBondContact O-N 3.04Å; G47-Y81 PolarHBondContact N-OH 2.71Å
48	S	94.9	Very high	94.8	Very high	72 Å²	72	44.4 Å²	44.4	50%	0.503	26%	0.26	S	S	.	.			trans	-155.4	130.5	177.1	-176.5	0	0	0	0	111	L46 V79 S106	L46-S48 PolarHBondContact O-N 3.39Å; S48-V79 WeakPolarHBondContact OG-CG1 3.32Å; S48-S106 CarbonylContact C-O 3.59Å; S48-S106 WeakPolarHBondContact CA-O 3.39Å
49	L	93.8	Very high	94.9	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.063	23%	0.233	C	C	.	.			trans	-119	119.2	168.9	-67.1	169.9	0	0	0	107.6	L46 P51 W53 I105 S106 I108	L46-L49 HydrophobicContact CB-CD2 4.42Å; L46-L49 HydrophobicContact CB-CG 4.46Å; L46-L49 HydrophobicContact CD1-CD2 3.87Å; L49-P51 CarbonylContact C-O 3.53Å; L49-P51 CarbonylContact O-C 3.53Å; L49-W53 HydrophobicContact CD1-CB 4.43Å; L49-W53 HydrophobicContact CD1-CD2 3.74Å; L49-W53 HydrophobicContact CD1-CE3 3.67Å; L49-W53 HydrophobicContact CD1-CG 4.05Å; L49-W53 HydrophobicContact CD1-CZ3 4.22Å; L49-W53 HydrophobicContact CD2-CD2 3.94Å; L49-W53 HydrophobicContact CD2-CE3 4.22Å; L49-W53 HydrophobicContact CD2-CH2 4.01Å; L49-W53 HydrophobicContact CD2-CZ2 3.69Å; L49-W53 HydrophobicContact CD2-CZ3 4.25Å; L49-W53 HydrophobicContact CG-CD2 4.39Å; L49-I105 HydrophobicContact CD1-CG2 4.17Å; L49-I105 WeakPolarHBondContact CD1-O 3.39Å; L49-S106 PolarHBondContact N-O 2.97Å; L49-I108 HydrophobicContact CD1-CD1 3.98Å; L49-I108 HydrophobicContact CD1-CG1 4.13Å
50	S	92.1	Very high	95.1	Very high	114 Å²	114	36.6 Å²	36.6	80%	0.797	22%	0.218	S	C	*	.	S	Bend	trans	-136.3	112.4	177.3	-167.1	0	0	0	0	109
51	P	94.5	Very high	95	Very high	100 Å²	100	35.3 Å²	35.3	65%	0.649	21%	0.213	S	C	*	.	S	Bend	cis	-66.2	161.3	-2.3	30.8	-36.1	0	0	0	112.8	L49	L49-P51 CarbonylContact C-O 3.53Å; L49-P51 CarbonylContact O-C 3.53Å
52	P	95.5	Very high	94.9	Very high	59 Å²	59	41.5 Å²	41.5	38%	0.383	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-57.7	143.7	170.4	-22.4	33.9	0	0	0	111.1	I105 S106	P52-I105 CarbonylContact C-O 3.29Å; P52-I105 VanDerWaalsContact CA-O 3.28Å; P52-I105 WeakPolarHBondContact CA-O 3.16Å; P52-S106 WeakPolarHBondContact CG-OG 3.46Å
53	W	96.8	Very high	94.6	Very high	60 Å²	60	42 Å²	42	23%	0.227	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-83.7	137.1	176.8	-70.1	-8.8	0	0	0	111.4	I17 L29 I40 V42 L46 L49 P55 G104 I105 I108	I17-W53 HydrophobicContact CD1-CH2 3.68Å; I17-W53 HydrophobicContact CD1-CZ2 4.04Å; L29-W53 HydrophobicContact CD2-CE3 3.87Å; L29-W53 HydrophobicContact CD2-CZ3 4.49Å; I40-W53 HydrophobicContact CD1-CD2 3.99Å; I40-W53 HydrophobicContact CD1-CE3 3.47Å; I40-W53 VanDerWaalsContact CD1-CE3 3.47Å; I40-W53 HydrophobicContact CD1-CH2 3.48Å; I40-W53 VanDerWaalsContact CD1-CH2 3.48Å; I40-W53 HydrophobicContact CD1-CZ2 4.01Å; I40-W53 HydrophobicContact CD1-CZ3 3.19Å; I40-W53 HydrophobicContact CG1-CZ3 4.47Å; V42-W53 HydrophobicContact CG2-CH2 4.34Å; V42-W53 HydrophobicContact CG2-CZ3 3.74Å; L46-W53 HydrophobicContact CD1-CH2 3.96Å; L46-W53 HydrophobicContact CD1-CZ3 4.09Å; L49-W53 HydrophobicContact CD1-CB 4.43Å; L49-W53 HydrophobicContact CD1-CD2 3.74Å; L49-W53 HydrophobicContact CD1-CE3 3.67Å; L49-W53 HydrophobicContact CD1-CG 4.05Å; L49-W53 HydrophobicContact CD1-CZ3 4.22Å; L49-W53 HydrophobicContact CD2-CD2 3.94Å; L49-W53 HydrophobicContact CD2-CE3 4.22Å; L49-W53 HydrophobicContact CD2-CH2 4.01Å; L49-W53 HydrophobicContact CD2-CZ2 3.69Å; L49-W53 HydrophobicContact CD2-CZ3 4.25Å; L49-W53 HydrophobicContact CG-CD2 4.39Å; W53-P55 WeakPolarHBondContact O-CD 3.4Å; W53-G104 CarbonylContact O-C 3.37Å; W53-G104 WeakPolarHBondContact O-CA 3.26Å; W53-I105 PolarHBondContact N-O 2.84Å; W53-I105 PolarHBondContact O-N 2.76Å; W53-I108 HydrophobicContact CE3-CD1 4.14Å; W53-I108 HydrophobicContact CZ3-CD1 4.09Å
54	T	96.9	Very high	94.1	Very high	106 Å²	106	45.1 Å²	45.1	65%	0.65	26%	0.264	S	S	*	.			trans	-121.7	78.2	-176	54.9	0	0	0	0	110.8	K103	T54-K103 WeakPolarHBondContact CA-O 3.47Å
55	P	96.9	Very high	93.4	Very high	10 Å²	10	44.3 Å²	44.3	7%	0.065	26%	0.263	C	S	.	.			trans	-73.7	156.5	-178.9	33.1	-37	0	0	0	112.3	L29 Y30 W53 V58 F97 I105	L29-P55 HydrophobicContact CB-CB 4.06Å; L29-P55 HydrophobicContact CD2-CB 4.4Å; L29-P55 HydrophobicContact CD2-CG 4.18Å; Y30-P55 CarbonylContact O-C 3.55Å; Y30-P55 WeakPolarHBondContact O-CA 3.38Å; Y30-P55 WeakPolarHBondContact O-CB 3.07Å; W53-P55 WeakPolarHBondContact O-CD 3.4Å; P55-V58 HydrophobicContact CB-CG2 4.03Å; P55-V58 HydrophobicContact CG-CG2 3.6Å; P55-F97 HydrophobicContact CG-CB 4.34Å; P55-F97 HydrophobicContact CG-CD1 3.67Å; P55-F97 HydrophobicContact CG-CE1 4.18Å; P55-F97 HydrophobicContact CG-CG 3.99Å; P55-I105 HydrophobicContact CG-CD1 3.68Å
56	G	97.6	Very high	92.4	Very high	7 Å²	7	49.7 Å²	49.7	7%	0.072	30%	0.296	C	S	.	.	S	Bend	trans	-80.1	-44.3	169.2	0	0	0	0	0	112.1	Y30 K32 F97	Y30-G56 PolarHBondContact O-N 2.91Å; K32-G56 CarbonylContact O-C 3.53Å; K32-G56 VanDerWaalsContact O-C 3.29Å; K32-G56 WeakPolarHBondContact O-CA 3.25Å; G56-F97 PolarHBondContact O-N 2.91Å
57	S	97.7	Very high	91.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	160.9	173.1	99.4	0	0	0	0	111.3	Y30 K32 E35 I94 D95	Y30-S57 PolarHBondContact N-O 2.79Å; K32-S57 PolarHBondContact O-N 3.25Å; E35-S57 WeakPolarHBondContact CA-OG 3.44Å; E35-S57 PolarHBondContact N-OG 2.04Å; E35-S57 PolarHBondContact OE1-OG 2.77Å; S57-I94 VanDerWaalsContact CA-O 3.24Å; S57-I94 WeakPolarHBondContact CA-O 3.47Å; S57-I94 VanDerWaalsContact CB-O 3.22Å; S57-I94 WeakPolarHBondContact CB-O 3.46Å; S57-D95 VanDerWaalsContact CB-O 3.26Å; S57-D95 WeakPolarHBondContact CB-O 3.38Å
58	V	97.5	Very high	90.6	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	135.9	-179.8	-179.5	0	0	0	0	109.6	L27 Q28 L29 P55 L75 L88 C93 I94 F97	L27-V58 HydrophobicContact CD1-CG1 3.37Å; L27-V58 HydrophobicContact CG-CG1 4.11Å; Q28-V58 CarbonylContact O-C 3.55Å; Q28-V58 WeakPolarHBondContact O-CA 3.43Å; Q28-V58 WeakPolarHBondContact O-CG1 3.46Å; L29-V58 HydrophobicContact CG-CG2 4.39Å; P55-V58 HydrophobicContact CB-CG2 4.03Å; P55-V58 HydrophobicContact CG-CG2 3.6Å; V58-L75 HydrophobicContact CG1-CD1 4.05Å; V58-L75 HydrophobicContact CG2-CD1 4.21Å; V58-L88 HydrophobicContact CB-CD2 4.25Å; V58-L88 HydrophobicContact CG1-CD1 4.37Å; V58-L88 HydrophobicContact CG1-CD2 3.87Å; V58-C93 CarbonylContact O-C 3.56Å; V58-C93 VanDerWaalsContact O-CA 3.29Å; V58-C93 WeakPolarHBondContact O-CA 3.19Å; V58-I94 PolarHBondContact N-O 2.93Å; V58-I94 PolarHBondContact O-N 2.82Å; V58-F97 HydrophobicContact CB-CD2 4.35Å; V58-F97 HydrophobicContact CG2-CB 4.3Å; V58-F97 HydrophobicContact CG2-CD2 3.68Å; V58-F97 HydrophobicContact CG2-CE2 4.22Å; V58-F97 HydrophobicContact CG2-CG 3.99Å
59	C	97.1	Very high	90.2	Very high	4 Å²	4	63.5 Å²	63.5	3%	0.027	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.7	175.9	-68.1	0	0	0	0	112.9	Q28 Y30 E35 T92 C93	Q28-C59 HydrophobicContact CB-CB 4.5Å; Q28-C59 PolarHBondContact N-O 3.01Å; Q28-C59 PolarHBondContact O-N 3.15Å; Y30-C59 HydrophobicContact CE2-CB 4.16Å; E35-C59 WeakPolarHBondContact CG-SG 3.16Å; E35-C59 PolarHBondContact OE1-SG 2.97Å; C59-T92 WeakPolarHBondContact CA-O 2.82Å; C59-C93 HydrophobicContact CB-CB 4.19Å; C59-C93 WeakPolarHBondContact CB-SG 3.05Å; C59-C93 WeakPolarHBondContact SG-CB 3.27Å; C59-C93 CovalentContact SG-SG 2.04Å; C59-C93 PolarHBondContact SG-SG 2.84Å
60	V	96	Very high	90.1	Very high	2 Å²	2	66.8 Å²	66.8	1%	0.012	35%	0.351	C	S	.	.			trans	-115	121.1	161.4	-175.6	0	0	0	0	107.2	L27 P71 W73 L88 G89 G91 T92	L27-V60 HydrophobicContact CD1-CG2 3.89Å; V60-P71 HydrophobicContact CG1-CB 4.06Å; V60-P71 HydrophobicContact CG1-CG 3.89Å; V60-W73 HydrophobicContact CG2-CB 4.27Å; V60-W73 HydrophobicContact CG2-CG 4.18Å; V60-L88 HydrophobicContact CG2-CB 3.65Å; V60-G89 WeakPolarHBondContact CB-O 3.15Å; V60-G91 VanDerWaalsContact O-CA 3.29Å; V60-G91 WeakPolarHBondContact O-CA 3.26Å; V60-G91 PolarHBondContact O-N 3.12Å; V60-T92 PolarHBondContact N-O 3.27Å
61	P	93.4	Very high	90.2	Very high	26 Å²	26	61.6 Å²	61.6	17%	0.169	31%	0.314	C	S	.	.			trans	-55.1	147.2	179.7	-30.4	39.6	0	0	0	113.1	C23 C26 Q28 V63 G91	C23-P61 VanDerWaalsContact O-CG 3.32Å; C23-P61 WeakPolarHBondContact O-CG 3.18Å; C26-P61 WeakPolarHBondContact O-CD 3.49Å; Q28-P61 HydrophobicContact CG-CG 4.32Å; P61-V63 PolarHBondContact O-N 3.02Å; P61-G91 PolarHBondContact O-N 2.7Å
62	F	91.8	Very high	90.2	Very high	131 Å²	131	58.8 Å²	58.8	58%	0.575	29%	0.291	S	S	*	.			trans	-71.2	124.9	177.9	-175.9	-97.5	0	0	0	110.9	N64 H90	F62-N64 HydrophobicContact CD1-CB 4.21Å; F62-N64 HydrophobicContact CE1-CB 3.69Å; F62-H90 AromaticContact CD2-CE1 3.76Å; F62-H90 AromaticContact CD2-ND1 3.69Å; F62-H90 AromaticContact CE2-CE1 3.43Å; F62-H90 VanDerWaalsContact CE2-CE1 3.43Å; F62-H90 WeakPolarHBondContact CE2-CE1 3.19Å; F62-H90 AromaticContact CE2-ND1 3.81Å
63	V	88	Confident	90.3	Very high	10 Å²	10	56 Å²	56	6%	0.061	27%	0.273	C	S	.	.			trans	-101.2	115	170.1	179.9	0	0	0	0	109.8	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 4.15Å; Y25-V63 HydrophobicContact CE1-CG2 4.07Å; P61-V63 PolarHBondContact O-N 3.02Å; V63-D65 VanDerWaalsContact C-N 3.34Å; V63-D65 HydrophobicContact CG1-CB 4.03Å; V63-P71 HydrophobicContact CG2-CG 3.68Å; V63-H90 HydrophobicContact CB-CB 4.46Å; V63-H90 PolarHBondContact N-ND1 3.41Å; V63-H90 PolarHBondContact O-CE1 2.75Å; V63-H90 PolarHBondContact O-ND1 2.8Å; V63-H90 VanDerWaalsContact O-ND1 3.1Å
64	N	80.7	Confident	90.3	Very high	130 Å²	130	55.7 Å²	55.7	70%	0.695	27%	0.272	S	S	*	.			trans	-85.7	-3.5	177.8	-162.7	24.8	0	0	0	113.6	F62 T66	F62-N64 HydrophobicContact CD1-CB 4.21Å; F62-N64 HydrophobicContact CE1-CB 3.69Å; N64-T66 PolarHBondContact O-N 3.04Å; N64-T66 VanDerWaalsContact O-N 3.08Å
65	D	78.6	Confident	90.3	Very high	54 Å²	54	50.7 Å²	50.7	29%	0.289	24%	0.241	S	C	.	.			trans	-76.5	100.1	-178.7	-170.1	-10.2	0	0	0	110.5	V63 K67 R68	V63-D65 VanDerWaalsContact C-N 3.34Å; V63-D65 HydrophobicContact CG1-CB 4.03Å; D65-K67 PolarHBondContact O-N 2.01Å; D65-K67 WeakPolarHBondContact OD1-CA 2.78Å; D65-K67 VanDerWaalsContact OD1-CB 3.3Å; D65-K67 WeakPolarHBondContact OD1-CB 3.4Å; D65-K67 PolarHBondContact OD1-N 3.02Å; D65-R68 WeakPolarHBondContact OD2-CD 3.38Å; D65-R68 WeakPolarHBondContact OD2-CG 3.39Å; D65-R68 IonicContact OD2-CZ 2.7Å; D65-R68 IonicContact OD2-NE 3.96Å; D65-R68 PolarHBondContact OD2-NE 2.81Å
66	T	73	Confident	90.4	Very high	115 Å²	115	50.8 Å²	50.8	71%	0.706	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-9.4	177.2	58.8	0	0	0	0	113.2	N64 K115	N64-T66 PolarHBondContact O-N 3.04Å; N64-T66 VanDerWaalsContact O-N 3.08Å; T66-K115 WeakPolarHBondContact O-CE 3.43Å; T66-K115 PolarHBondContact O-NZ 2.99Å
67	K	71.7	Confident	90.4	Very high	170 Å²	170	53.7 Å²	53.7	74%	0.739	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-21.6	-179.6	-64.5	-171.2	178.6	-177.8	0	112.7	D65 K115	D65-K67 PolarHBondContact O-N 2.01Å; D65-K67 WeakPolarHBondContact OD1-CA 2.78Å; D65-K67 VanDerWaalsContact OD1-CB 3.3Å; D65-K67 WeakPolarHBondContact OD1-CB 3.4Å; D65-K67 PolarHBondContact OD1-N 3.02Å; K67-K115 VanDerWaalsContact C-CE 3.47Å; K67-K115 WeakPolarHBondContact O-CE 3.26Å; K67-K115 PolarHBondContact O-NZ 3.11Å
68	R	78	Confident	90.3	Very high	155 Å²	155	59.6 Å²	59.6	59%	0.585	28%	0.278	S	S	*	.	S	Bend	trans	-112.7	160	-172.8	-62	-177.8	-174.3	-167.9	-1.8	111.8	D65	D65-R68 WeakPolarHBondContact OD2-CD 3.38Å; D65-R68 WeakPolarHBondContact OD2-CG 3.39Å; D65-R68 IonicContact OD2-CZ 2.7Å; D65-R68 IonicContact OD2-NE 3.96Å; D65-R68 PolarHBondContact OD2-NE 2.81Å
69	D	87.2	Confident	90.2	Very high	69 Å²	69	62.3 Å²	62.3	37%	0.369	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-64.4	145.6	168.7	-57.6	-36.8	0	0	0	109.9	I112 T114	D69-I112 HydrophobicContact CB-CB 4.03Å; D69-I112 HydrophobicContact CB-CD1 4.21Å; D69-T114 WeakPolarHBondContact OD1-CA 3.36Å
70	R	91.3	Very high	90.2	Very high	81 Å²	81	67.1 Å²	67.1	31%	0.306	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	144.7	-171.9	-62.6	-179.1	-69.2	176.3	-10.5	110	Y72 H90 I112 Q113	R70-Y72 PolarHBondContact O-N 2.93Å; R70-H90 HydrophobicContact CB-CB 4.4Å; R70-H90 WeakPolarHBondContact CD-NE2 3.47Å; R70-H90 PolarHBondContact NH1-NE2 3.35Å; R70-I112 CarbonylContact O-C 3.59Å; R70-I112 WeakPolarHBondContact O-CA 3.37Å; R70-Q113 PolarHBondContact N-O 2.82Å; R70-Q113 PolarHBondContact O-N 3.19Å
71	P	93.4	Very high	90.1	Very high	4 Å²	4	69.8 Å²	69.8	3%	0.026	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	136.8	178.2	26.3	-33.4	0	0	0	110.2	Y25 V60 V63 H90	Y25-P71 HydrophobicContact CD1-CB 4.4Å; Y25-P71 HydrophobicContact CD1-CG 4.2Å; V60-P71 HydrophobicContact CG1-CB 4.06Å; V60-P71 HydrophobicContact CG1-CG 3.89Å; V63-P71 HydrophobicContact CG2-CG 3.68Å; P71-H90 HydrophobicContact CG-CB 3.82Å; P71-H90 PolarHBondContact O-N 2.81Å
72	Y	95.7	Very high	90.2	Very high	41 Å²	41	75.1 Å²	75.1	16%	0.161	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.7	171.7	-164.1	-78.4	0	0	0	108.3	R70 Y74 L88 C111 Q113 V119	R70-Y72 PolarHBondContact O-N 2.93Å; Y72-Y74 HydrophobicContact CD1-CD2 4.48Å; Y72-Y74 HydrophobicContact CD1-CE1 4.46Å; Y72-Y74 HydrophobicContact CD1-CE2 4.2Å; Y72-Y74 AromaticContact CE1-CD1 3.92Å; Y72-Y74 HydrophobicContact CE1-CD1 3.92Å; Y72-Y74 HydrophobicContact CE1-CD2 4.35Å; Y72-Y74 AromaticContact CE1-CE1 3.49Å; Y72-Y74 HydrophobicContact CE1-CE1 3.49Å; Y72-Y74 VanDerWaalsContact CE1-CE1 3.49Å; Y72-Y74 AromaticContact CE1-CE2 3.94Å; Y72-Y74 HydrophobicContact CE1-CE2 3.94Å; Y72-Y74 HydrophobicContact CE1-CG 4.33Å; Y72-Y74 AromaticContact CE1-CZ 3.48Å; Y72-Y74 VanDerWaalsContact CE1-CZ 3.48Å; Y72-L88 CarbonylContact C-O 3.29Å; Y72-L88 WeakPolarHBondContact CA-O 3.5Å; Y72-C111 HydrophobicContact CD1-CB 4.47Å; Y72-C111 PolarHBondContact N-O 2.91Å; Y72-C111 VanDerWaalsContact N-O 3.11Å; Y72-C111 CarbonylContact O-C 3.52Å; Y72-C111 VanDerWaalsContact O-C 3.29Å; Y72-C111 VanDerWaalsContact O-CA 3.28Å; Y72-C111 WeakPolarHBondContact O-CA 3.41Å; Y72-C111 WeakPolarHBondContact O-CB 3.23Å; Y72-C111 PolarHBondContact O-N 2.76Å; Y72-Q113 HydrophobicContact CD2-CB 4.34Å; Y72-V119 HydrophobicContact CD1-CG1 3.64Å; Y72-V119 HydrophobicContact CD1-CG2 4.18Å; Y72-V119 HydrophobicContact CD2-CG2 3.84Å; Y72-V119 HydrophobicContact CE1-CG1 4.2Å; Y72-V119 HydrophobicContact CE1-CG2 4.35Å; Y72-V119 HydrophobicContact CE2-CG2 4.01Å; Y72-V119 HydrophobicContact CG-CG1 3.9Å; Y72-V119 HydrophobicContact CG-CG2 3.93Å
73	W	96.9	Very high	90.4	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.5	-174.9	-70.6	90.3	0	0	0	110.5	L27 V42 V60 G87 L88 I108 K110	L27-W73 HydrophobicContact CB-CD2 3.61Å; L27-W73 HydrophobicContact CB-CE3 3.94Å; L27-W73 HydrophobicContact CB-CG 3.92Å; L27-W73 HydrophobicContact CB-CH2 4.4Å; L27-W73 HydrophobicContact CB-CZ2 4.15Å; L27-W73 HydrophobicContact CB-CZ3 4.31Å; L27-W73 HydrophobicContact CD1-CB 4.01Å; L27-W73 HydrophobicContact CD1-CG 4.12Å; L27-W73 HydrophobicContact CD2-CD2 4.49Å; L27-W73 HydrophobicContact CD2-CE3 4.22Å; L27-W73 HydrophobicContact CG-CD2 4.48Å; L27-W73 HydrophobicContact CG-CG 4.5Å; V42-W73 HydrophobicContact CG1-CH2 4.07Å; V42-W73 HydrophobicContact CG1-CZ3 3.92Å; V42-W73 WeakPolarHBondContact O-CH2 3.26Å; V42-W73 VanDerWaalsContact O-CZ2 3.27Å; V42-W73 WeakPolarHBondContact O-CZ2 3.36Å; V60-W73 HydrophobicContact CG2-CB 4.27Å; V60-W73 HydrophobicContact CG2-CG 4.18Å; W73-G87 CarbonylContact O-C 3.44Å; W73-G87 WeakPolarHBondContact O-CA 3.23Å; W73-L88 PolarHBondContact N-O 2.73Å; W73-L88 PolarHBondContact O-N 2.82Å; W73-I108 HydrophobicContact CE3-CG2 3.5Å; W73-I108 VanDerWaalsContact CE3-CG2 3.5Å; W73-I108 HydrophobicContact CZ3-CG2 3.63Å; W73-K110 HydrophobicContact CD2-CB 4.5Å; W73-K110 HydrophobicContact CD2-CG 4.42Å; W73-K110 HydrophobicContact CE3-CB 4Å; W73-K110 HydrophobicContact CE3-CG 4.38Å; W73-K110 HydrophobicContact CH2-CB 3.74Å; W73-K110 HydrophobicContact CH2-CD 3.77Å; W73-K110 HydrophobicContact CH2-CG 3.74Å; W73-K110 HydrophobicContact CZ2-CB 4.23Å; W73-K110 HydrophobicContact CZ2-CD 3.81Å; W73-K110 HydrophobicContact CZ2-CG 3.74Å; W73-K110 HydrophobicContact CZ3-CB 3.61Å; W73-K110 HydrophobicContact CZ3-CD 4.5Å; W73-K110 HydrophobicContact CZ3-CG 4.07Å
74	Y	97.3	Very high	90.9	Very high	55 Å²	55	77.7 Å²	77.7	22%	0.216	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.8	167.8	-73.6	-60.8	0	0	0	110.7	Y72 F76 I85 T86 I108 Q109 C111 V119	Y72-Y74 HydrophobicContact CD1-CD2 4.48Å; Y72-Y74 HydrophobicContact CD1-CE1 4.46Å; Y72-Y74 HydrophobicContact CD1-CE2 4.2Å; Y72-Y74 AromaticContact CE1-CD1 3.92Å; Y72-Y74 HydrophobicContact CE1-CD1 3.92Å; Y72-Y74 HydrophobicContact CE1-CD2 4.35Å; Y72-Y74 AromaticContact CE1-CE1 3.49Å; Y72-Y74 HydrophobicContact CE1-CE1 3.49Å; Y72-Y74 VanDerWaalsContact CE1-CE1 3.49Å; Y72-Y74 AromaticContact CE1-CE2 3.94Å; Y72-Y74 HydrophobicContact CE1-CE2 3.94Å; Y72-Y74 HydrophobicContact CE1-CG 4.33Å; Y72-Y74 AromaticContact CE1-CZ 3.48Å; Y72-Y74 VanDerWaalsContact CE1-CZ 3.48Å; Y74-F76 VanDerWaalsContact CB-CE2 3.41Å; Y74-F76 HydrophobicContact CG-CE2 4.47Å; Y74-F76 HydrophobicContact CG-CZ 4.37Å; Y74-I85 HydrophobicContact CD1-CD1 3.32Å; Y74-I85 HydrophobicContact CD1-CG1 3.59Å; Y74-I85 HydrophobicContact CD2-CD1 4.32Å; Y74-I85 HydrophobicContact CE1-CD1 3.69Å; Y74-I85 HydrophobicContact CE1-CG1 4.24Å; Y74-I85 HydrophobicContact CG-CD1 3.68Å; Y74-I85 HydrophobicContact CG-CG1 4.13Å; Y74-T86 WeakPolarHBondContact CA-O 3.41Å; Y74-I108 CarbonylContact O-C 3.59Å; Y74-I108 WeakPolarHBondContact O-CA 3.16Å; Y74-Q109 PolarHBondContact N-O 2.99Å; Y74-Q109 PolarHBondContact O-N 3.27Å; Y74-C111 VanDerWaalsContact CD2-SG 3.54Å; Y74-V119 HydrophobicContact CE2-CG1 3.93Å
75	L	97.5	Very high	91.6	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138	172.8	-51.3	-177.3	0	0	0	108.9	L27 V58 I85 T86 L88 F97 F102 I105 I108	L27-L75 HydrophobicContact CD1-CD2 4.42Å; L27-L75 HydrophobicContact CD2-CD2 3.44Å; L27-L75 VanDerWaalsContact CD2-CD2 3.44Å; V58-L75 HydrophobicContact CG1-CD1 4.05Å; V58-L75 HydrophobicContact CG2-CD1 4.21Å; L75-I85 VanDerWaalsContact O-CA 3.32Å; L75-I85 WeakPolarHBondContact O-CA 3.43Å; L75-T86 PolarHBondContact N-O 2.81Å; L75-T86 PolarHBondContact O-N 3.11Å; L75-L88 HydrophobicContact CD1-CD1 3.85Å; L75-L88 HydrophobicContact CG-CD1 4.06Å; L75-F97 HydrophobicContact CD1-CD2 4.41Å; L75-F97 HydrophobicContact CD1-CE2 3.5Å; L75-F97 VanDerWaalsContact CD1-CE2 3.5Å; L75-F97 HydrophobicContact CD1-CZ 3.83Å; L75-F102 HydrophobicContact CB-CE2 4.41Å; L75-F102 HydrophobicContact CB-CZ 3.91Å; L75-F102 WeakPolarHBondContact O-CZ 3.35Å; L75-I105 HydrophobicContact CB-CD1 4.48Å; L75-I105 HydrophobicContact CB-CG1 4.34Å; L75-I105 HydrophobicContact CB-CG2 4.28Å; L75-I105 HydrophobicContact CD1-CD1 3.7Å; L75-I105 HydrophobicContact CD1-CG1 4.33Å; L75-I105 HydrophobicContact CD2-CD1 4.33Å; L75-I105 HydrophobicContact CD2-CG2 4.4Å; L75-I105 HydrophobicContact CG-CD1 4.4Å; L75-I108 HydrophobicContact CD2-CB 4.45Å; L75-I108 HydrophobicContact CD2-CD1 4.36Å; L75-I108 HydrophobicContact CD2-CG1 3.94Å; L75-I108 HydrophobicContact CD2-CG2 4.03Å
76	F	97.3	Very high	92.5	Very high	13 Å²	13	74.3 Å²	74.3	6%	0.057	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.1	-175.8	-65.1	-91.6	0	0	0	111.7	Y74 K78 Y81 R84 I85 S106 S107 Q109	Y74-F76 VanDerWaalsContact CB-CE2 3.41Å; Y74-F76 HydrophobicContact CG-CE2 4.47Å; Y74-F76 HydrophobicContact CG-CZ 4.37Å; F76-K78 VanDerWaalsContact C-N 3.28Å; F76-K78 PolarHBondContact O-N 2.85Å; F76-Y81 HydrophobicContact CD2-CD1 4.03Å; F76-Y81 WeakPolarHBondContact CE1-O 3.3Å; F76-Y81 HydrophobicContact CE2-CD1 4.03Å; F76-Y81 HydrophobicContact CE2-CG 4.32Å; F76-R84 WeakPolarHBondContact CA-O 3.3Å; F76-I85 HydrophobicContact CD1-CB 4.23Å; F76-I85 HydrophobicContact CD1-CD1 4.35Å; F76-I85 HydrophobicContact CD1-CG1 4.08Å; F76-I85 HydrophobicContact CE1-CB 4.13Å; F76-I85 HydrophobicContact CE1-CD1 3.46Å; F76-I85 VanDerWaalsContact CE1-CD1 3.46Å; F76-I85 HydrophobicContact CE1-CG1 3.68Å; F76-I85 HydrophobicContact CZ-CD1 3.58Å; F76-I85 HydrophobicContact CZ-CG1 3.98Å; F76-S106 PolarHBondContact O-N 3.39Å; F76-S107 WeakPolarHBondContact CB-OG 3.29Å; F76-S107 PolarHBondContact N-O 3.25Å; F76-S107 PolarHBondContact O-N 3.17Å; F76-Q109 HydrophobicContact CE2-CB 3.75Å
77	E	97.6	Very high	93.6	Very high	67 Å²	67	70.3 Å²	70.3	31%	0.313	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	-32.5	175.2	-179.4	-173.6	-152.6	0	0	112.4	R84 F102 S106	E77-R84 HydrophobicContact CB-CB 4.03Å; E77-R84 PolarHBondContact N-O 3.41Å; E77-R84 WeakPolarHBondContact OE2-CG 3.41Å; E77-R84 PolarHBondContact OE2-N 2.85Å; E77-F102 HydrophobicContact CB-CB 4.07Å; E77-F102 HydrophobicContact CB-CD1 4.37Å; E77-F102 HydrophobicContact CB-CD2 3.97Å; E77-F102 HydrophobicContact CB-CG 3.88Å; E77-F102 HydrophobicContact CG-CB 4.04Å; E77-F102 HydrophobicContact CG-CG 4.38Å; E77-S106 WeakPolarHBondContact O-CB 3.15Å; E77-S106 PolarHBondContact O-OG 2.79Å
78	K	97.3	Very high	94.8	Very high	125 Å²	125	62.3 Å²	62.3	54%	0.543	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	160	-179	-57.6	-178.9	179.3	179.5	0	111.7	F76 K82 S106 S107	F76-K78 VanDerWaalsContact C-N 3.28Å; F76-K78 PolarHBondContact O-N 2.85Å; K78-K82 HydrophobicContact CB-CB 4.18Å; K78-K82 WeakPolarHBondContact CB-O 3.33Å; K78-K82 PolarHBondContact N-O 3.18Å; K78-S106 VanDerWaalsContact C-CB 3.41Å; K78-S107 PolarHBondContact O-OG 3.22Å
79	V	95.4	Very high	95.6	Very high	56 Å²	56	55.4 Å²	55.4	34%	0.339	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	161.3	174.1	-59.6	0	0	0	0	111.3	S48 Y81	S48-V79 WeakPolarHBondContact OG-CG1 3.32Å; V79-Y81 VanDerWaalsContact C-N 3.29Å; V79-Y81 PolarHBondContact O-N 2.69Å
80	N	95.5	Very high	95.9	Very high	106 Å²	106	53.4 Å²	53.4	57%	0.567	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	36.5	178.3	-58.2	-59.7	0	0	0	113.9	G47	G47-N80 PolarHBondContact O-N 3.04Å
81	Y	95.1	Very high	96.1	Very high	57 Å²	57	51.5 Å²	51.5	22%	0.224	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	48.8	174.2	-39.3	-57.1	0	0	0	112.7	S45 G47 F76 V79 S107 I108 Q109	S45-Y81 WeakPolarHBondContact CB-OH 3.34Å; G47-Y81 PolarHBondContact N-OH 2.71Å; F76-Y81 HydrophobicContact CD2-CD1 4.03Å; F76-Y81 WeakPolarHBondContact CE1-O 3.3Å; F76-Y81 HydrophobicContact CE2-CD1 4.03Å; F76-Y81 HydrophobicContact CE2-CG 4.32Å; V79-Y81 VanDerWaalsContact C-N 3.29Å; V79-Y81 PolarHBondContact O-N 2.69Å; Y81-S107 WeakPolarHBondContact CA-OG 3.38Å; Y81-S107 PolarHBondContact N-OG 2.59Å; Y81-I108 VanDerWaalsContact CE1-O 3.3Å; Y81-I108 WeakPolarHBondContact CE1-O 3.29Å; Y81-Q109 HydrophobicContact CD1-CB 3.76Å; Y81-Q109 HydrophobicContact CD1-CG 4.31Å; Y81-Q109 HydrophobicContact CE1-CB 3.95Å; Y81-Q109 HydrophobicContact CE1-CG 4.35Å; Y81-Q109 HydrophobicContact CG-CB 4.35Å
82	K	95.8	Very high	96.2	Very high	138 Å²	138	54.5 Å²	54.5	60%	0.6	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	166.3	-176	-67.7	-173.1	-179.9	-174.2	0	112.5	K78	K78-K82 HydrophobicContact CB-CB 4.18Å; K78-K82 WeakPolarHBondContact CB-O 3.33Å; K78-K82 PolarHBondContact N-O 3.18Å
83	G	96.2	Very high	96.2	Very high	47 Å²	47	55.1 Å²	55.1	49%	0.485	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	86.3	-153.4	175.7	0	0	0	0	0	112.1
84	R	97.3	Very high	96.3	Very high	149 Å²	149	56.8 Å²	56.8	56%	0.562	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.6	145.4	173.5	-67	178.6	173.6	173.9	3.9	110.2	F76 E77 G101 F102	F76-R84 WeakPolarHBondContact CA-O 3.3Å; E77-R84 HydrophobicContact CB-CB 4.03Å; E77-R84 PolarHBondContact N-O 3.41Å; E77-R84 WeakPolarHBondContact OE2-CG 3.41Å; E77-R84 PolarHBondContact OE2-N 2.85Å; R84-G101 VanDerWaalsContact CD-O 3.3Å; R84-G101 WeakPolarHBondContact CD-O 3.22Å; R84-G101 PolarHBondContact NH1-O 3.19Å; R84-F102 HydrophobicContact CB-CB 4.5Å; R84-F102 HydrophobicContact CB-CD1 3.62Å; R84-F102 HydrophobicContact CB-CE1 4.21Å; R84-F102 HydrophobicContact CB-CG 4.32Å
85	I	96.4	Very high	96.2	Very high	90 Å²	90	57.5 Å²	57.5	46%	0.462	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.5	-173.8	-168.8	175.7	0	0	0	110.1	Y74 L75 F76	Y74-I85 HydrophobicContact CD1-CD1 3.32Å; Y74-I85 HydrophobicContact CD1-CG1 3.59Å; Y74-I85 HydrophobicContact CD2-CD1 4.32Å; Y74-I85 HydrophobicContact CE1-CD1 3.69Å; Y74-I85 HydrophobicContact CE1-CG1 4.24Å; Y74-I85 HydrophobicContact CG-CD1 3.68Å; Y74-I85 HydrophobicContact CG-CG1 4.13Å; L75-I85 VanDerWaalsContact O-CA 3.32Å; L75-I85 WeakPolarHBondContact O-CA 3.43Å; F76-I85 HydrophobicContact CD1-CB 4.23Å; F76-I85 HydrophobicContact CD1-CD1 4.35Å; F76-I85 HydrophobicContact CD1-CG1 4.08Å; F76-I85 HydrophobicContact CE1-CB 4.13Å; F76-I85 HydrophobicContact CE1-CD1 3.46Å; F76-I85 VanDerWaalsContact CE1-CD1 3.46Å; F76-I85 HydrophobicContact CE1-CG1 3.68Å; F76-I85 HydrophobicContact CZ-CD1 3.58Å; F76-I85 HydrophobicContact CZ-CG1 3.98Å
86	T	97.1	Very high	96.2	Very high	23 Å²	23	58.8 Å²	58.8	14%	0.141	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	126.6	169.5	-64.4	0	0	0	0	108	Y74 L75 L88 I94 F97 F102	Y74-T86 WeakPolarHBondContact CA-O 3.41Å; L75-T86 PolarHBondContact N-O 2.81Å; L75-T86 PolarHBondContact O-N 3.11Å; T86-L88 HydrophobicContact CG2-CD1 4.01Å; T86-I94 HydrophobicContact CG2-CD1 3.36Å; T86-F97 HydrophobicContact CG2-CE2 4.38Å; T86-F102 WeakPolarHBondContact OG1-CE1 3.24Å
87	G	96.1	Very high	96.2	Very high	31 Å²	31	58.2 Å²	58.2	32%	0.32	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.9	178.3	0	0	0	0	0	111.7	W73	W73-G87 CarbonylContact O-C 3.44Å; W73-G87 WeakPolarHBondContact O-CA 3.23Å
88	L	97	Very high	95.9	Very high	1 Å²	1	58 Å²	58	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.5	175.1	-61.3	93.2	0	0	0	109.8	V58 V60 Y72 W73 L75 T86 I94	V58-L88 HydrophobicContact CB-CD2 4.25Å; V58-L88 HydrophobicContact CG1-CD1 4.37Å; V58-L88 HydrophobicContact CG1-CD2 3.87Å; V60-L88 HydrophobicContact CG2-CB 3.65Å; Y72-L88 CarbonylContact C-O 3.29Å; Y72-L88 WeakPolarHBondContact CA-O 3.5Å; W73-L88 PolarHBondContact N-O 2.73Å; W73-L88 PolarHBondContact O-N 2.82Å; L75-L88 HydrophobicContact CD1-CD1 3.85Å; L75-L88 HydrophobicContact CG-CD1 4.06Å; T86-L88 HydrophobicContact CG2-CD1 4.01Å; L88-I94 HydrophobicContact CD1-CD1 4.06Å; L88-I94 HydrophobicContact CD2-CD1 3.84Å; L88-I94 HydrophobicContact CD2-CG1 3.84Å; L88-I94 HydrophobicContact CG-CD1 3.97Å; L88-I94 HydrophobicContact CG-CG1 4.37Å
89	G	94.8	Very high	95.6	Very high	11 Å²	11	59.7 Å²	59.7	11%	0.113	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	169.1	169.1	0	0	0	0	0	111.7	V60 T92	V60-G89 WeakPolarHBondContact CB-O 3.15Å; G89-T92 WeakPolarHBondContact O-CB 3.5Å; G89-T92 PolarHBondContact O-N 3.06Å; G89-T92 VanDerWaalsContact O-N 3.13Å; G89-T92 PolarHBondContact O-OG1 3.41Å
90	H	93.9	Very high	94.9	Very high	26 Å²	26	58 Å²	58	12%	0.12	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	141.7	173.1	82.9	121.7	0	0	0	112.7	F62 V63 R70 P71 T92	F62-H90 AromaticContact CD2-CE1 3.76Å; F62-H90 AromaticContact CD2-ND1 3.69Å; F62-H90 AromaticContact CE2-CE1 3.43Å; F62-H90 VanDerWaalsContact CE2-CE1 3.43Å; F62-H90 WeakPolarHBondContact CE2-CE1 3.19Å; F62-H90 AromaticContact CE2-ND1 3.81Å; V63-H90 HydrophobicContact CB-CB 4.46Å; V63-H90 PolarHBondContact N-ND1 3.41Å; V63-H90 PolarHBondContact O-CE1 2.75Å; V63-H90 PolarHBondContact O-ND1 2.8Å; V63-H90 VanDerWaalsContact O-ND1 3.1Å; R70-H90 HydrophobicContact CB-CB 4.4Å; R70-H90 WeakPolarHBondContact CD-NE2 3.47Å; R70-H90 PolarHBondContact NH1-NE2 3.35Å; P71-H90 HydrophobicContact CG-CB 3.82Å; P71-H90 PolarHBondContact O-N 2.81Å; H90-T92 PolarHBondContact O-N 3.24Å; H90-T92 VanDerWaalsContact O-N 3.16Å
91	G	93.8	Very high	94.6	Very high	42 Å²	42	55.4 Å²	55.4	43%	0.433	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	4	-179.2	0	0	0	0	0	115.4	V60 P61	V60-G91 VanDerWaalsContact O-CA 3.29Å; V60-G91 WeakPolarHBondContact O-CA 3.26Å; V60-G91 PolarHBondContact O-N 3.12Å; P61-G91 PolarHBondContact O-N 2.7Å
92	T	95.9	Very high	94.5	Very high	66 Å²	66	53.1 Å²	53.1	41%	0.405	31%	0.31	S	S	.	.			trans	-95.8	135.6	178.1	-52	0	0	0	0	110.1	C59 V60 G89 H90	C59-T92 WeakPolarHBondContact CA-O 2.82Å; V60-T92 PolarHBondContact N-O 3.27Å; G89-T92 WeakPolarHBondContact O-CB 3.5Å; G89-T92 PolarHBondContact O-N 3.06Å; G89-T92 VanDerWaalsContact O-N 3.13Å; G89-T92 PolarHBondContact O-OG1 3.41Å; H90-T92 PolarHBondContact O-N 3.24Å; H90-T92 VanDerWaalsContact O-N 3.16Å
93	C	96.9	Very high	94.4	Very high	54 Å²	54	53.1 Å²	53.1	37%	0.365	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	151.1	170.9	-68.5	0	0	0	0	110.5	V58 C59	V58-C93 CarbonylContact O-C 3.56Å; V58-C93 VanDerWaalsContact O-CA 3.29Å; V58-C93 WeakPolarHBondContact O-CA 3.19Å; C59-C93 HydrophobicContact CB-CB 4.19Å; C59-C93 WeakPolarHBondContact CB-SG 3.05Å; C59-C93 WeakPolarHBondContact SG-CB 3.27Å; C59-C93 CovalentContact SG-SG 2.04Å; C59-C93 PolarHBondContact SG-SG 2.84Å
94	I	97.5	Very high	94.3	Very high	36 Å²	36	51.8 Å²	51.8	19%	0.185	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	98.3	166.5	-60.7	174	0	0	0	106.1	S57 V58 T86 L88 D96 F97	S57-I94 VanDerWaalsContact CA-O 3.24Å; S57-I94 WeakPolarHBondContact CA-O 3.47Å; S57-I94 VanDerWaalsContact CB-O 3.22Å; S57-I94 WeakPolarHBondContact CB-O 3.46Å; V58-I94 PolarHBondContact N-O 2.93Å; V58-I94 PolarHBondContact O-N 2.82Å; T86-I94 HydrophobicContact CG2-CD1 3.36Å; L88-I94 HydrophobicContact CD1-CD1 4.06Å; L88-I94 HydrophobicContact CD2-CD1 3.84Å; L88-I94 HydrophobicContact CD2-CG1 3.84Å; L88-I94 HydrophobicContact CG-CD1 3.97Å; L88-I94 HydrophobicContact CG-CG1 4.37Å; I94-D96 PolarHBondContact O-N 2.84Å; I94-F97 HydrophobicContact CD1-CD2 4.24Å; I94-F97 HydrophobicContact CD1-CE2 4.44Å; I94-F97 HydrophobicContact CG2-CB 4.42Å; I94-F97 HydrophobicContact CG2-CD2 4.28Å
95	D	97.1	Very high	94.3	Very high	70 Å²	70	44.7 Å²	44.7	37%	0.374	27%	0.269	S	S	.	.	S	Bend	trans	-59.8	-33.7	-173.2	-55.3	-2.8	0	0	0	113	T33 Y34 S57	T33-D95 CarbonylContact C-O 3.43Å; T33-D95 WeakPolarHBondContact CA-O 3.3Å; T33-D95 WeakPolarHBondContact CB-O 3.12Å; Y34-D95 HydrophobicContact CD1-CB 3.53Å; Y34-D95 HydrophobicContact CE1-CB 3.61Å; Y34-D95 HydrophobicContact CG-CB 4.24Å; Y34-D95 PolarHBondContact N-O 3.18Å; S57-D95 VanDerWaalsContact CB-O 3.26Å; S57-D95 WeakPolarHBondContact CB-O 3.38Å
96	D	96.9	Very high	94.4	Very high	27 Å²	27	41 Å²	41	14%	0.144	25%	0.252	C	S	.	.			trans	-131.9	88.6	176.5	-173.3	-11.7	0	0	0	110.2	T33 I94 T98 K99	T33-D96 HydrophobicContact CG2-CB 4.1Å; I94-D96 PolarHBondContact O-N 2.84Å; D96-T98 PolarHBondContact O-N 3Å; D96-T98 WeakPolarHBondContact OD1-CB 3.36Å; D96-T98 PolarHBondContact OD1-N 2.99Å; D96-T98 VanDerWaalsContact OD1-N 3.12Å; D96-T98 PolarHBondContact OD1-OG1 2.97Å; D96-K99 HydrophobicContact CB-CD 4.39Å; D96-K99 PolarHBondContact O-N 2.83Å; D96-K99 VanDerWaalsContact OD2-CD 3.23Å; D96-K99 WeakPolarHBondContact OD2-CD 3.33Å; D96-K99 WeakPolarHBondContact OD2-CE 3.32Å; D96-K99 IonicContact OD2-NZ 2.71Å; D96-K99 PolarHBondContact OD2-NZ 2.9Å
97	F	96.8	Very high	94.3	Very high	0 Å²	0	40 Å²	40	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-65.6	-23	-179.9	-168.2	-97	0	0	0	112.1	P55 G56 V58 L75 T86 I94 K99 S100 F102 I105	P55-F97 HydrophobicContact CG-CB 4.34Å; P55-F97 HydrophobicContact CG-CD1 3.67Å; P55-F97 HydrophobicContact CG-CE1 4.18Å; P55-F97 HydrophobicContact CG-CG 3.99Å; G56-F97 PolarHBondContact O-N 2.91Å; V58-F97 HydrophobicContact CB-CD2 4.35Å; V58-F97 HydrophobicContact CG2-CB 4.3Å; V58-F97 HydrophobicContact CG2-CD2 3.68Å; V58-F97 HydrophobicContact CG2-CE2 4.22Å; V58-F97 HydrophobicContact CG2-CG 3.99Å; L75-F97 HydrophobicContact CD1-CD2 4.41Å; L75-F97 HydrophobicContact CD1-CE2 3.5Å; L75-F97 VanDerWaalsContact CD1-CE2 3.5Å; L75-F97 HydrophobicContact CD1-CZ 3.83Å; T86-F97 HydrophobicContact CG2-CE2 4.38Å; I94-F97 HydrophobicContact CD1-CD2 4.24Å; I94-F97 HydrophobicContact CD1-CE2 4.44Å; I94-F97 HydrophobicContact CG2-CB 4.42Å; I94-F97 HydrophobicContact CG2-CD2 4.28Å; F97-K99 PolarHBondContact O-N 3.42Å; F97-S100 WeakPolarHBondContact CD2-OG 3.12Å; F97-S100 VanDerWaalsContact CE2-OG 3.26Å; F97-S100 WeakPolarHBondContact CE2-OG 3.33Å; F97-S100 WeakPolarHBondContact CZ-OG 3.47Å; F97-S100 WeakPolarHBondContact O-CA 3.45Å; F97-S100 VanDerWaalsContact O-CB 3.23Å; F97-S100 WeakPolarHBondContact O-CB 3.32Å; F97-S100 PolarHBondContact O-N 2.88Å; F97-S100 PolarHBondContact O-OG 2.9Å; F97-F102 HydrophobicContact CE1-CD2 4.33Å; F97-F102 HydrophobicContact CE1-CE2 4.15Å; F97-F102 WeakPolarHBondContact CE1-O 3.06Å; F97-F102 HydrophobicContact CZ-CD2 4.22Å; F97-F102 AromaticContact CZ-CE2 3.67Å; F97-F102 HydrophobicContact CZ-CE2 3.67Å; F97-F102 AromaticContact CZ-CZ 3.91Å; F97-F102 HydrophobicContact CZ-CZ 3.91Å; F97-I105 HydrophobicContact CE1-CD1 3.99Å; F97-I105 HydrophobicContact CE1-CG1 3.79Å; F97-I105 HydrophobicContact CZ-CD1 3.93Å; F97-I105 HydrophobicContact CZ-CG1 3.78Å
98	T	91.1	Very high	94.4	Very high	63 Å²	63	38.5 Å²	38.5	39%	0.387	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-67.7	-18.3	179	79.7	0	0	0	0	113	D96 K103	D96-T98 PolarHBondContact O-N 3Å; D96-T98 WeakPolarHBondContact OD1-CB 3.36Å; D96-T98 PolarHBondContact OD1-N 2.99Å; D96-T98 VanDerWaalsContact OD1-N 3.12Å; D96-T98 PolarHBondContact OD1-OG1 2.97Å; T98-K103 WeakPolarHBondContact O-CE 3.26Å
99	K	92	Very high	94.3	Very high	161 Å²	161	39.4 Å²	39.4	70%	0.7	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-97.4	-6.1	171.9	-64.8	178.6	-176.9	134.5	0	113.3	D96 F97	D96-K99 HydrophobicContact CB-CD 4.39Å; D96-K99 PolarHBondContact O-N 2.83Å; D96-K99 VanDerWaalsContact OD2-CD 3.23Å; D96-K99 WeakPolarHBondContact OD2-CD 3.33Å; D96-K99 WeakPolarHBondContact OD2-CE 3.32Å; D96-K99 IonicContact OD2-NZ 2.71Å; D96-K99 PolarHBondContact OD2-NZ 2.9Å; F97-K99 PolarHBondContact O-N 3.42Å
100	S	80	Confident	94.3	Very high	20 Å²	20	41.2 Å²	41.2	14%	0.14	24%	0.239	C	C	.	.	S	Bend	trans	-69.4	150.8	166	87.6	0	0	0	0	108.3	F97 F102	F97-S100 WeakPolarHBondContact CD2-OG 3.12Å; F97-S100 VanDerWaalsContact CE2-OG 3.26Å; F97-S100 WeakPolarHBondContact CE2-OG 3.33Å; F97-S100 WeakPolarHBondContact CZ-OG 3.47Å; F97-S100 WeakPolarHBondContact O-CA 3.45Å; F97-S100 VanDerWaalsContact O-CB 3.23Å; F97-S100 WeakPolarHBondContact O-CB 3.32Å; F97-S100 PolarHBondContact O-N 2.88Å; F97-S100 PolarHBondContact O-OG 2.9Å; S100-F102 PolarHBondContact O-N 3.31Å; S100-F102 PolarHBondContact OG-O 2.81Å
101	G	88.3	Confident	94.4	Very high	51 Å²	51	40 Å²	40	53%	0.526	23%	0.233	S	C	.	.	S	Bend	trans	-55.3	-4.6	-165.3	0	0	0	0	0	117.5	R84	R84-G101 VanDerWaalsContact CD-O 3.3Å; R84-G101 WeakPolarHBondContact CD-O 3.22Å; R84-G101 PolarHBondContact NH1-O 3.19Å
102	F	94.6	Very high	94.4	Very high	10 Å²	10	40.3 Å²	40.3	4%	0.044	23%	0.225	C	C	.	.			trans	-148.5	154.5	167.7	59.5	-83.1	0	0	0	109.9	L75 E77 R84 T86 F97 S100 G104 I105	L75-F102 HydrophobicContact CB-CE2 4.41Å; L75-F102 HydrophobicContact CB-CZ 3.91Å; L75-F102 WeakPolarHBondContact O-CZ 3.35Å; E77-F102 HydrophobicContact CB-CB 4.07Å; E77-F102 HydrophobicContact CB-CD1 4.37Å; E77-F102 HydrophobicContact CB-CD2 3.97Å; E77-F102 HydrophobicContact CB-CG 3.88Å; E77-F102 HydrophobicContact CG-CB 4.04Å; E77-F102 HydrophobicContact CG-CG 4.38Å; R84-F102 HydrophobicContact CB-CB 4.5Å; R84-F102 HydrophobicContact CB-CD1 3.62Å; R84-F102 HydrophobicContact CB-CE1 4.21Å; R84-F102 HydrophobicContact CB-CG 4.32Å; T86-F102 WeakPolarHBondContact OG1-CE1 3.24Å; F97-F102 HydrophobicContact CE1-CD2 4.33Å; F97-F102 HydrophobicContact CE1-CE2 4.15Å; F97-F102 WeakPolarHBondContact CE1-O 3.06Å; F97-F102 HydrophobicContact CZ-CD2 4.22Å; F97-F102 AromaticContact CZ-CE2 3.67Å; F97-F102 HydrophobicContact CZ-CE2 3.67Å; F97-F102 AromaticContact CZ-CZ 3.91Å; F97-F102 HydrophobicContact CZ-CZ 3.91Å; S100-F102 PolarHBondContact O-N 3.31Å; S100-F102 PolarHBondContact OG-O 2.81Å; F102-G104 VanDerWaalsContact CD2-O 3.28Å; F102-G104 WeakPolarHBondContact CD2-O 3.46Å; F102-I105 HydrophobicContact CE2-CG1 4.01Å
103	K	92.3	Very high	94.2	Very high	138 Å²	138	39 Å²	39	60%	0.6	21%	0.214	S	C	*	.	S	Bend	trans	-98	-25.8	-176	-61	-176.2	178.6	-176.2	0	114.2	T54 T98	T54-K103 WeakPolarHBondContact CA-O 3.47Å; T98-K103 WeakPolarHBondContact O-CE 3.26Å
104	G	95	Very high	93.9	Very high	18 Å²	18	37.4 Å²	37.4	19%	0.186	20%	0.202	C	C	.	.			trans	-115.3	125	-173.9	0	0	0	0	0	112.1	W53 F102	W53-G104 CarbonylContact O-C 3.37Å; W53-G104 WeakPolarHBondContact O-CA 3.26Å; F102-G104 VanDerWaalsContact CD2-O 3.28Å; F102-G104 WeakPolarHBondContact CD2-O 3.46Å
105	I	97.5	Very high	93.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-93.4	115	178.4	-55.7	164.7	0	0	0	108.2	L29 L49 P52 W53 P55 L75 F97 F102 S107 I108	L29-I105 HydrophobicContact CD2-CD1 3.63Å; L49-I105 HydrophobicContact CD1-CG2 4.17Å; L49-I105 WeakPolarHBondContact CD1-O 3.39Å; P52-I105 CarbonylContact C-O 3.29Å; P52-I105 VanDerWaalsContact CA-O 3.28Å; P52-I105 WeakPolarHBondContact CA-O 3.16Å; W53-I105 PolarHBondContact N-O 2.84Å; W53-I105 PolarHBondContact O-N 2.76Å; P55-I105 HydrophobicContact CG-CD1 3.68Å; L75-I105 HydrophobicContact CB-CD1 4.48Å; L75-I105 HydrophobicContact CB-CG1 4.34Å; L75-I105 HydrophobicContact CB-CG2 4.28Å; L75-I105 HydrophobicContact CD1-CD1 3.7Å; L75-I105 HydrophobicContact CD1-CG1 4.33Å; L75-I105 HydrophobicContact CD2-CD1 4.33Å; L75-I105 HydrophobicContact CD2-CG2 4.4Å; L75-I105 HydrophobicContact CG-CD1 4.4Å; F97-I105 HydrophobicContact CE1-CD1 3.99Å; F97-I105 HydrophobicContact CE1-CG1 3.79Å; F97-I105 HydrophobicContact CZ-CD1 3.93Å; F97-I105 HydrophobicContact CZ-CG1 3.78Å; F102-I105 HydrophobicContact CE2-CG1 4.01Å; I105-S107 WeakPolarHBondContact CG2-O 3.44Å; I105-I108 HydrophobicContact CG2-CD1 4.07Å; I105-I108 HydrophobicContact CG2-CG1 3.51Å
106	S	97.3	Very high	93	Very high	14 Å²	14	45.8 Å²	45.8	10%	0.098	24%	0.241	C	C	.	.	S	Bend	trans	-104.3	-13.8	179.1	-58.6	0	0	0	0	113.2	S48 L49 P52 F76 E77 K78	S48-S106 CarbonylContact C-O 3.59Å; S48-S106 WeakPolarHBondContact CA-O 3.39Å; L49-S106 PolarHBondContact N-O 2.97Å; P52-S106 WeakPolarHBondContact CG-OG 3.46Å; F76-S106 PolarHBondContact O-N 3.39Å; E77-S106 WeakPolarHBondContact O-CB 3.15Å; E77-S106 PolarHBondContact O-OG 2.79Å; K78-S106 VanDerWaalsContact C-CB 3.41Å
107	S	96.8	Very high	92.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	155	165.2	58.7	0	0	0	0	111.9	L46 F76 K78 Y81 I105	L46-S107 CarbonylContact O-C 3.55Å; L46-S107 WeakPolarHBondContact O-CA 3.3Å; L46-S107 WeakPolarHBondContact O-CB 3.42Å; F76-S107 WeakPolarHBondContact CB-OG 3.29Å; F76-S107 PolarHBondContact N-O 3.25Å; F76-S107 PolarHBondContact O-N 3.17Å; K78-S107 PolarHBondContact O-OG 3.22Å; Y81-S107 WeakPolarHBondContact CA-OG 3.38Å; Y81-S107 PolarHBondContact N-OG 2.59Å; I105-S107 WeakPolarHBondContact CG2-O 3.44Å
108	I	96.6	Very high	92.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	126.2	-175.6	-60.9	177.7	0	0	0	108.1	L27 L29 V42 S45 L46 L49 W53 W73 Y74 L75 Y81 I105	L27-I108 HydrophobicContact CD2-CD1 4Å; L27-I108 HydrophobicContact CD2-CG2 3.73Å; L29-I108 HydrophobicContact CD2-CD1 4.39Å; V42-I108 HydrophobicContact CG1-CD1 4.42Å; V42-I108 HydrophobicContact CG1-CG2 4.3Å; V42-I108 HydrophobicContact CG2-CD1 4.22Å; S45-I108 CarbonylContact C-O 3.52Å; S45-I108 WeakPolarHBondContact CA-O 3.2Å; S45-I108 WeakPolarHBondContact CB-O 3.28Å; L46-I108 HydrophobicContact CB-CB 4.38Å; L46-I108 HydrophobicContact CD1-CD1 4.41Å; L46-I108 PolarHBondContact N-O 3.12Å; L46-I108 PolarHBondContact O-N 3.41Å; L49-I108 HydrophobicContact CD1-CD1 3.98Å; L49-I108 HydrophobicContact CD1-CG1 4.13Å; W53-I108 HydrophobicContact CE3-CD1 4.14Å; W53-I108 HydrophobicContact CZ3-CD1 4.09Å; W73-I108 HydrophobicContact CE3-CG2 3.5Å; W73-I108 VanDerWaalsContact CE3-CG2 3.5Å; W73-I108 HydrophobicContact CZ3-CG2 3.63Å; Y74-I108 CarbonylContact O-C 3.59Å; Y74-I108 WeakPolarHBondContact O-CA 3.16Å; L75-I108 HydrophobicContact CD2-CB 4.45Å; L75-I108 HydrophobicContact CD2-CD1 4.36Å; L75-I108 HydrophobicContact CD2-CG1 3.94Å; L75-I108 HydrophobicContact CD2-CG2 4.03Å; Y81-I108 VanDerWaalsContact CE1-O 3.3Å; Y81-I108 WeakPolarHBondContact CE1-O 3.29Å; I105-I108 HydrophobicContact CG2-CD1 4.07Å; I105-I108 HydrophobicContact CG2-CG1 3.51Å
109	Q	96.1	Very high	92.6	Very high	20 Å²	20	51.1 Å²	51.1	9%	0.093	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.7	177.4	-164.5	171.5	13.3	0	0	110.6	Y74 F76 Y81 C121	Y74-Q109 PolarHBondContact N-O 2.99Å; Y74-Q109 PolarHBondContact O-N 3.27Å; F76-Q109 HydrophobicContact CE2-CB 3.75Å; Y81-Q109 HydrophobicContact CD1-CB 3.76Å; Y81-Q109 HydrophobicContact CD1-CG 4.31Å; Y81-Q109 HydrophobicContact CE1-CB 3.95Å; Y81-Q109 HydrophobicContact CE1-CG 4.35Å; Y81-Q109 HydrophobicContact CG-CB 4.35Å; Q109-C121 HydrophobicContact CG-CB 4.2Å
110	K	95.2	Very high	92.6	Very high	49 Å²	49	47.4 Å²	47.4	21%	0.213	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	129.2	170.6	-170.3	176.3	-171.6	175.1	0	109.9	Y43 S45 W73 I122	Y43-K110 WeakPolarHBondContact O-CD 3.47Å; Y43-K110 PolarHBondContact O-NZ 2.99Å; S45-K110 PolarHBondContact OG-N 2.7Å; W73-K110 HydrophobicContact CD2-CB 4.5Å; W73-K110 HydrophobicContact CD2-CG 4.42Å; W73-K110 HydrophobicContact CE3-CB 4Å; W73-K110 HydrophobicContact CE3-CG 4.38Å; W73-K110 HydrophobicContact CH2-CB 3.74Å; W73-K110 HydrophobicContact CH2-CD 3.77Å; W73-K110 HydrophobicContact CH2-CG 3.74Å; W73-K110 HydrophobicContact CZ2-CB 4.23Å; W73-K110 HydrophobicContact CZ2-CD 3.81Å; W73-K110 HydrophobicContact CZ2-CG 3.74Å; W73-K110 HydrophobicContact CZ3-CB 3.61Å; W73-K110 HydrophobicContact CZ3-CD 4.5Å; W73-K110 HydrophobicContact CZ3-CG 4.07Å; K110-I122 PolarHBondContact O-N 2.79Å
111	C	95.4	Very high	93.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	174.3	176.4	-47	0	0	0	0	109.6	Y72 Y74 V119 E120 C121	Y72-C111 HydrophobicContact CD1-CB 4.47Å; Y72-C111 PolarHBondContact N-O 2.91Å; Y72-C111 VanDerWaalsContact N-O 3.11Å; Y72-C111 CarbonylContact O-C 3.52Å; Y72-C111 VanDerWaalsContact O-C 3.29Å; Y72-C111 VanDerWaalsContact O-CA 3.28Å; Y72-C111 WeakPolarHBondContact O-CA 3.41Å; Y72-C111 WeakPolarHBondContact O-CB 3.23Å; Y72-C111 PolarHBondContact O-N 2.76Å; Y74-C111 VanDerWaalsContact CD2-SG 3.54Å; C111-V119 HydrophobicContact CB-CG1 3.72Å; C111-E120 CarbonylContact C-O 3.59Å; C111-E120 VanDerWaalsContact CA-O 3.3Å; C111-E120 WeakPolarHBondContact CA-O 3.38Å; C111-E120 WeakPolarHBondContact CB-O 3Å; C111-C121 HydrophobicContact CB-CB 3.92Å; C111-C121 WeakPolarHBondContact CB-SG 3.15Å; C111-C121 VanDerWaalsContact SG-CA 3.54Å; C111-C121 WeakPolarHBondContact SG-CB 3.21Å; C111-C121 CovalentContact SG-SG 2.04Å; C111-C121 PolarHBondContact SG-SG 3.06Å
112	I	93	Very high	92.6	Very high	50 Å²	50	50.6 Å²	50.6	26%	0.256	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	144.7	171.3	60	173.1	0	0	0	108.2	D69 R70 V119 E120	D69-I112 HydrophobicContact CB-CB 4.03Å; D69-I112 HydrophobicContact CB-CD1 4.21Å; R70-I112 CarbonylContact O-C 3.59Å; R70-I112 WeakPolarHBondContact O-CA 3.37Å; I112-V119 CarbonylContact O-C 3.5Å; I112-V119 VanDerWaalsContact O-CA 3.3Å; I112-V119 WeakPolarHBondContact O-CA 3.29Å; I112-E120 HydrophobicContact CG1-CB 4.03Å; I112-E120 WeakPolarHBondContact CG1-O 3.23Å; I112-E120 PolarHBondContact N-O 3.15Å; I112-E120 PolarHBondContact O-N 2.04Å
113	Q	92.5	Very high	91.4	Very high	38 Å²	38	56.5 Å²	56.5	18%	0.178	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	116.1	168.4	-172.5	179.5	44.3	0	0	108.1	R70 Y72 G117 K118 V119	R70-Q113 PolarHBondContact N-O 2.82Å; R70-Q113 PolarHBondContact O-N 3.19Å; Y72-Q113 HydrophobicContact CD2-CB 4.34Å; Q113-G117 PolarHBondContact NE2-O 2.95Å; Q113-K118 CarbonylContact C-O 3.51Å; Q113-K118 WeakPolarHBondContact CA-O 3.3Å; Q113-V119 HydrophobicContact CB-CG2 4.34Å; Q113-V119 HydrophobicContact CG-CG2 4.21Å
114	T	91	Very high	89.9	Confident	20 Å²	20	53.4 Å²	53.4	12%	0.123	28%	0.281	C	S	.	.			trans	-67.5	166.4	176.5	71.7	0	0	0	0	110.7	D69 D116 G117 K118 E120	D69-T114 WeakPolarHBondContact OD1-CA 3.36Å; T114-D116 PolarHBondContact O-N 3.26Å; T114-G117 PolarHBondContact O-N 3.42Å; T114-K118 PolarHBondContact N-O 3.34Å; T114-K118 WeakPolarHBondContact OG1-CB 3.49Å; T114-K118 PolarHBondContact OG1-N 3.25Å; T114-K118 PolarHBondContact OG1-O 3.45Å; T114-E120 HydrophobicContact CG2-CG 4.44Å
115	K	86.3	Confident	87.8	Confident	124 Å²	124	58.1 Å²	58.1	54%	0.539	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-30.9	177	-61.1	-172.3	-169.7	-177.1	0	113.1	T66 K67 G117	T66-K115 WeakPolarHBondContact O-CE 3.43Å; T66-K115 PolarHBondContact O-NZ 2.99Å; K67-K115 VanDerWaalsContact C-CE 3.47Å; K67-K115 WeakPolarHBondContact O-CE 3.26Å; K67-K115 PolarHBondContact O-NZ 3.11Å; K115-G117 PolarHBondContact O-N 3.04Å
116	D	88.4	Confident	85.5	Confident	158 Å²	158	67.8 Å²	67.8	85%	0.845	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	1.5	176.7	-52.9	-36.5	0	0	0	112.7	T114 K118	T114-D116 PolarHBondContact O-N 3.26Å; D116-K118 VanDerWaalsContact C-N 3.35Å
117	G	88.3	Confident	83.1	Confident	34 Å²	34	78.3 Å²	78.3	35%	0.351	39%	0.389	S	S	.	.	S	Bend	trans	87.4	-3.4	177.1	0	0	0	0	0	114.8	Q113 T114 K115	Q113-G117 PolarHBondContact NE2-O 2.95Å; T114-G117 PolarHBondContact O-N 3.42Å; K115-G117 PolarHBondContact O-N 3.04Å
118	K	93.2	Very high	80.2	Confident	128 Å²	128	89.3 Å²	89.3	56%	0.557	43%	0.43	S	S	*	.			trans	-69.1	134.3	177.3	-172.8	-175.2	177.3	-162.5	0	110.3	Q113 T114 D116 E120	Q113-K118 CarbonylContact C-O 3.51Å; Q113-K118 WeakPolarHBondContact CA-O 3.3Å; T114-K118 PolarHBondContact N-O 3.34Å; T114-K118 WeakPolarHBondContact OG1-CB 3.49Å; T114-K118 PolarHBondContact OG1-N 3.25Å; T114-K118 PolarHBondContact OG1-O 3.45Å; D116-K118 VanDerWaalsContact C-N 3.35Å; K118-E120 HydrophobicContact CD-CG 4.1Å; K118-E120 WeakPolarHBondContact CD-OE1 3.09Å; K118-E120 VanDerWaalsContact CE-OE1 3.26Å; K118-E120 WeakPolarHBondContact CE-OE1 3.04Å; K118-E120 HydrophobicContact CG-CG 4.21Å; K118-E120 IonicContact NZ-OE1 3.19Å; K118-E120 PolarHBondContact NZ-OE1 3.37Å
119	V	94.4	Very high	77.5	Confident	41 Å²	41	93.4 Å²	93.4	25%	0.248	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123.1	173.5	179.7	0	0	0	0	109.4	Y72 Y74 C111 I112 Q113	Y72-V119 HydrophobicContact CD1-CG1 3.64Å; Y72-V119 HydrophobicContact CD1-CG2 4.18Å; Y72-V119 HydrophobicContact CD2-CG2 3.84Å; Y72-V119 HydrophobicContact CE1-CG1 4.2Å; Y72-V119 HydrophobicContact CE1-CG2 4.35Å; Y72-V119 HydrophobicContact CE2-CG2 4.01Å; Y72-V119 HydrophobicContact CG-CG1 3.9Å; Y72-V119 HydrophobicContact CG-CG2 3.93Å; Y74-V119 HydrophobicContact CE2-CG1 3.93Å; C111-V119 HydrophobicContact CB-CG1 3.72Å; I112-V119 CarbonylContact O-C 3.5Å; I112-V119 VanDerWaalsContact O-CA 3.3Å; I112-V119 WeakPolarHBondContact O-CA 3.29Å; Q113-V119 HydrophobicContact CB-CG2 4.34Å; Q113-V119 HydrophobicContact CG-CG2 4.21Å
120	E	93.3	Very high	74.9	Confident	82 Å²	82	99.5 Å²	99.5	38%	0.383	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.3	177.6	-59.7	-166.9	157.3	0	0	109.8	C111 I112 T114 K118	C111-E120 CarbonylContact C-O 3.59Å; C111-E120 VanDerWaalsContact CA-O 3.3Å; C111-E120 WeakPolarHBondContact CA-O 3.38Å; C111-E120 WeakPolarHBondContact CB-O 3Å; I112-E120 HydrophobicContact CG1-CB 4.03Å; I112-E120 WeakPolarHBondContact CG1-O 3.23Å; I112-E120 PolarHBondContact N-O 3.15Å; I112-E120 PolarHBondContact O-N 2.04Å; T114-E120 HydrophobicContact CG2-CG 4.44Å; K118-E120 HydrophobicContact CD-CG 4.1Å; K118-E120 WeakPolarHBondContact CD-OE1 3.09Å; K118-E120 VanDerWaalsContact CE-OE1 3.26Å; K118-E120 WeakPolarHBondContact CE-OE1 3.04Å; K118-E120 HydrophobicContact CG-CG 4.21Å; K118-E120 IonicContact NZ-OE1 3.19Å; K118-E120 PolarHBondContact NZ-OE1 3.37Å
121	C	91.9	Very high	72.3	Confident	46 Å²	46	106.7 Å²	106.7	31%	0.311	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.6	-175.6	-63	0	0	0	0	111.5	Q109 C111 N123	Q109-C121 HydrophobicContact CG-CB 4.2Å; C111-C121 HydrophobicContact CB-CB 3.92Å; C111-C121 WeakPolarHBondContact CB-SG 3.15Å; C111-C121 VanDerWaalsContact SG-CA 3.54Å; C111-C121 WeakPolarHBondContact SG-CB 3.21Å; C111-C121 CovalentContact SG-SG 2.04Å; C111-C121 PolarHBondContact SG-SG 3.06Å; C121-N123 PolarHBondContact O-N 2.88Å; C121-N123 VanDerWaalsContact O-N 3.16Å
122	I	76.7	Confident	69.6	Low	92 Å²	92	112.1 Å²	112.1	47%	0.472	55%	0.554	S	S	.	*			trans	-76.6	109.2	175.4	-55	171.9	0	0	0	106.3	K110 E124	K110-I122 PolarHBondContact O-N 2.79Å; I122-E124 PolarHBondContact O-N 3.46Å
123	N	67.5	Low	67.2	Low	135 Å²	135	121.2 Å²	121.2	72%	0.722	59%	0.585	S	S	*	*			trans	-66.7	102	167	-74.8	-36.5	0	0	0	107.2	C121	C121-N123 PolarHBondContact O-N 2.88Å; C121-N123 VanDerWaalsContact O-N 3.16Å
124	E	61.3	Low	65.2	Low	72 Å²	72	130.6 Å²	130.6	34%	0.336	63%	0.634	S	S	.	*			trans	-58.4	130.2	167.5	-81.9	-167.9	175.7	0	0	107.9	K44 S45 I122 K126	K44-E124 WeakPolarHBondContact CB-OE1 3.13Å; S45-E124 PolarHBondContact N-OE1 3.1Å; I122-E124 PolarHBondContact O-N 3.46Å; E124-K126 PolarHBondContact O-N 2.79Å
125	P	51.1	Low	63.9	Low	117 Å²	117	136.1 Å²	136.1	76%	0.76	66%	0.659	S	S	*	*			trans	-56.1	121.5	175.8	21.9	-29.9	0	0	0	106.6	R127	P125-R127 VanDerWaalsContact C-N 3.33Å; P125-R127 PolarHBondContact O-N 3.36Å
126	K	48.9	Very low	62.7	Low	203 Å²	203	136.7 Å²	136.7	88%	0.883	67%	0.666	S	S	*	*			trans	-49.2	102.3	174.4	-68.6	179.9	-179.5	175.7	0	106.6	E124 R128	E124-K126 PolarHBondContact O-N 2.79Å; K126-R128 PolarHBondContact O-N 3.13Å
127	R	47.6	Very low	61.3	Low	236 Å²	236	135.6 Å²	135.6	89%	0.891	66%	0.656	S	S	*	*			trans	-56.1	111.4	167.4	-96.2	-172.3	174.7	179.6	-1.4	103.8	P125 S129	P125-R127 VanDerWaalsContact C-N 3.33Å; P125-R127 PolarHBondContact O-N 3.36Å; R127-S129 PolarHBondContact O-N 3.16Å
128	R	36.7	Very low	59.7	Low	231 Å²	231	141.5 Å²	141.5	87%	0.872	67%	0.674	S	S	*	*			trans	-46.6	119.1	170.2	-83.2	-179.2	175.7	173.2	-1.3	105.3	K126 I130	K126-R128 PolarHBondContact O-N 3.13Å; R128-I130 VanDerWaalsContact C-N 3.27Å; R128-I130 PolarHBondContact O-N 2.71Å
129	S	39.1	Very low	57.6	Low	85 Å²	85	142.4 Å²	142.4	59%	0.594	68%	0.681	S	S	*	*			trans	-53.5	100.9	166.8	176	0	0	0	0	106.2	R127 Y131	R127-S129 PolarHBondContact O-N 3.16Å; S129-Y131 PolarHBondContact O-N 3.3Å; S129-Y131 VanDerWaalsContact O-N 3.08Å; S129-Y131 WeakPolarHBondContact OG-CD2 3.43Å; S129-Y131 WeakPolarHBondContact OG-CE2 3.36Å
130	I	41.8	Very low	55.1	Low	148 Å²	148	149.1 Å²	149.1	76%	0.759	71%	0.71	S	S	*	*			trans	-74.1	95.6	161	-62.5	174.6	0	0	0	102.5	R128 C132	R128-I130 VanDerWaalsContact C-N 3.27Å; R128-I130 PolarHBondContact O-N 2.71Å; I130-C132 PolarHBondContact O-N 3.04Å
131	Y	40.9	Very low	52.4	Low	201 Å²	201	153.9 Å²	153.9	79%	0.788	73%	0.733	S	S	*	*			trans	-59.2	106.1	162.9	-79.5	-89.8	0	0	0	106.5	S129 R133	S129-Y131 PolarHBondContact O-N 3.3Å; S129-Y131 VanDerWaalsContact O-N 3.08Å; S129-Y131 WeakPolarHBondContact OG-CD2 3.43Å; S129-Y131 WeakPolarHBondContact OG-CE2 3.36Å; Y131-R133 PolarHBondContact O-N 2.85Å; Y131-R133 VanDerWaalsContact O-N 3.09Å
132	C	39	Very low	49.3	Very low	113 Å²	113	162.2 Å²	162.2	76%	0.764	77%	0.766	S	S	*	*			trans	-65.4	103.9	156.2	-67.6	0	0	0	0	105.9	I130 I134	I130-C132 PolarHBondContact O-N 3.04Å; C132-I134 PolarHBondContact O-N 3.08Å
133	R	40.8	Very low	47.1	Very low	242 Å²	242	168.1 Å²	168.1	91%	0.913	79%	0.79	S	S	*	*			trans	-66.3	118.9	161.3	-119.4	179.1	-171.5	172.9	1.4	106.2	Y131	Y131-R133 PolarHBondContact O-N 2.85Å; Y131-R133 VanDerWaalsContact O-N 3.09Å
134	I	50.3	Low	45.2	Very low	234 Å²	234	171.1 Å²	171.1	100%	1.2	80%	0.796	S	S	*	*			trans	-76.4	0	155.6	-50.6	174.7	0	0	0	106.5	C132	C132-I134 PolarHBondContact O-N 3.08Å

Retrieved 134 of 134 residues in 162 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).