Q869D4_SCHMA Loading...

IL-4-inducing protein

AlphaFold DB , UniProt , Accession Q869D4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 134 aa.

						>Q869D4_SCHMA|Q869D4
MFLIAVLSYTLISQLGITTSDSCKYCLQLYDETYERGSYIEVYKSVGSLSPPWTPGSVCVPFVNDTKRERPYWYLFDNVNYTGRITGLGHGTCIDDFTKSGFKGISSIKRCIQTKDGKVECINQPKRRRTYCRF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.9	Very low	49.7	Very low	238 Å²	238	126.6 Å²	126.6	100%	1.172	66%	0.657	S	S	*	*				0	72.8	0	-74.3	165	65.4	0	0	110
2	F	48.9	Very low	49.8	Very low	190 Å²	190	121.8 Å²	121.8	83%	0.833	63%	0.631	S	S	*	*			trans	-127.4	21.4	-175.6	-99	-79.1	0	0	0	113.3
3	L	48.3	Very low	49.6	Very low	147 Å²	147	119.1 Å²	119.1	77%	0.77	63%	0.629	S	S	*	*	S	Bend	trans	-92.3	-9.9	-176.2	-113	101.5	0	0	0	115.2
4	I	55.5	Low	49.5	Very low	145 Å²	145	121.7 Å²	121.7	74%	0.744	64%	0.636	S	S	*	*	H	α-helix	trans	-84.7	-32.1	-174.3	-56.5	176.5	0	0	0	111.9	V6 S8	I4-V6 PolarHBondContact O-N 2.71Å; I4-S8 PolarHBondContact O-OG 3.42Å; I4-S8 VanDerWaalsContact O-OG 3.05Å
5	A	49.6	Very low	49.8	Very low	51 Å²	51	117.7 Å²	117.7	42%	0.421	62%	0.615	S	S	.	*	H	α-helix	trans	-67	-36.8	-179.7	0	0	0	0	0	112.4	L7 S8 Y9	A5-L7 VanDerWaalsContact C-N 3.33Å; A5-L7 PolarHBondContact O-N 3.21Å; A5-S8 PolarHBondContact O-N 2.98Å; A5-S8 PolarHBondContact O-OG 3.18Å; A5-Y9 VanDerWaalsContact O-CD2 3.31Å; A5-Y9 WeakPolarHBondContact O-CD2 3.31Å; A5-Y9 PolarHBondContact O-N 3.38Å
6	V	49.3	Very low	50.1	Low	95 Å²	95	112.1 Å²	112.1	58%	0.576	60%	0.595	S	S	*	*	H	α-helix	trans	-67.3	-34.7	-175.6	-174	0	0	0	0	111.9	I4 S8 Y9 T10	I4-V6 PolarHBondContact O-N 2.71Å; V6-S8 PolarHBondContact O-N 3.47Å; V6-Y9 PolarHBondContact O-N 3.44Å; V6-T10 PolarHBondContact O-N 2.93Å
7	L	46.9	Very low	50.3	Low	115 Å²	115	106.8 Å²	106.8	60%	0.602	57%	0.567	S	S	*	*	H	α-helix	trans	-66.7	-35.9	177.1	-90.8	150.1	0	0	0	112.4	A5 T10 L11	A5-L7 VanDerWaalsContact C-N 3.33Å; A5-L7 PolarHBondContact O-N 3.21Å; L7-T10 PolarHBondContact O-OG1 2.76Å; L7-L11 PolarHBondContact O-N 2.81Å
8	S	53.3	Low	50.1	Low	58 Å²	58	105.3 Å²	105.3	41%	0.406	56%	0.563	S	S	.	*	H	α-helix	trans	-68.7	-42.4	178.4	-2	0	0	0	0	111.1	I4 A5 V6 T10 L11 I12	I4-S8 PolarHBondContact O-OG 3.42Å; I4-S8 VanDerWaalsContact O-OG 3.05Å; A5-S8 PolarHBondContact O-N 2.98Å; A5-S8 PolarHBondContact O-OG 3.18Å; V6-S8 PolarHBondContact O-N 3.47Å; S8-T10 VanDerWaalsContact C-N 3.34Å; S8-T10 PolarHBondContact O-N 3.05Å; S8-L11 PolarHBondContact O-N 2.92Å; S8-I12 VanDerWaalsContact O-CD1 3.3Å; S8-I12 WeakPolarHBondContact O-CD1 3.3Å; S8-I12 WeakPolarHBondContact O-CG1 3.4Å; S8-I12 PolarHBondContact O-N 3.49Å
9	Y	48.3	Very low	49.8	Very low	170 Å²	170	105.9 Å²	105.9	67%	0.667	57%	0.571	S	S	*	*	H	α-helix	trans	-62.1	-39.5	178.3	-85.1	-83.6	0	0	0	112.6	A5 V6 L11 I12 S13	A5-Y9 VanDerWaalsContact O-CD2 3.31Å; A5-Y9 WeakPolarHBondContact O-CD2 3.31Å; A5-Y9 PolarHBondContact O-N 3.38Å; V6-Y9 PolarHBondContact O-N 3.44Å; Y9-L11 PolarHBondContact O-N 3.48Å; Y9-I12 PolarHBondContact O-N 3.46Å; Y9-S13 PolarHBondContact O-N 3.3Å; Y9-S13 VanDerWaalsContact O-N 3.15Å; Y9-S13 PolarHBondContact O-OG 3.25Å
10	T	49.5	Very low	49.4	Very low	78 Å²	78	105.1 Å²	105.1	48%	0.479	57%	0.573	S	S	.	*	H	α-helix	trans	-66	-33.8	180	52.9	0	0	0	0	114	V6 L7 S8	V6-T10 PolarHBondContact O-N 2.93Å; L7-T10 PolarHBondContact O-OG1 2.76Å; S8-T10 VanDerWaalsContact C-N 3.34Å; S8-T10 PolarHBondContact O-N 3.05Å
11	L	48.1	Very low	49.4	Very low	106 Å²	106	107.1 Å²	107.1	56%	0.555	58%	0.584	S	S	*	*	H	α-helix	trans	-71.6	-36.4	175.2	-97.6	123.6	0	0	0	112.1	L7 S8 Y9 Q14 L15	L7-L11 PolarHBondContact O-N 2.81Å; S8-L11 PolarHBondContact O-N 2.92Å; Y9-L11 PolarHBondContact O-N 3.48Å; L11-Q14 PolarHBondContact O-N 3.38Å; L11-L15 PolarHBondContact O-N 2.97Å
12	I	51.1	Low	49.9	Very low	68 Å²	68	100.4 Å²	100.4	35%	0.349	56%	0.56	S	S	.	*	H	α-helix	trans	-67.6	-37.5	-179.1	-65.2	165	0	0	0	110.7	S8 Y9 Q14 L15 I17	S8-I12 VanDerWaalsContact O-CD1 3.3Å; S8-I12 WeakPolarHBondContact O-CD1 3.3Å; S8-I12 WeakPolarHBondContact O-CG1 3.4Å; S8-I12 PolarHBondContact O-N 3.49Å; Y9-I12 PolarHBondContact O-N 3.46Å; I12-Q14 VanDerWaalsContact C-N 3.35Å; I12-Q14 PolarHBondContact O-N 3.14Å; I12-L15 PolarHBondContact O-N 3.39Å; I12-I17 HydrophobicContact CG2-CB 3.68Å; I12-I17 HydrophobicContact CG2-CD1 4.33Å; I12-I17 HydrophobicContact CG2-CG2 3.78Å; I12-I17 PolarHBondContact O-N 2.9Å
13	S	46.4	Very low	51.3	Low	87 Å²	87	91.9 Å²	91.9	61%	0.608	52%	0.524	S	S	*	.	H	α-helix	trans	-64.8	-34.9	176.3	-42.5	0	0	0	0	113.1	Y9 L15 G16	Y9-S13 PolarHBondContact O-N 3.3Å; Y9-S13 VanDerWaalsContact O-N 3.15Å; Y9-S13 PolarHBondContact O-OG 3.25Å; S13-L15 VanDerWaalsContact C-N 3.3Å; S13-L15 PolarHBondContact O-N 3.28Å; S13-G16 PolarHBondContact O-N 3.15Å
14	Q	48.3	Very low	52.9	Low	156 Å²	156	91.9 Å²	91.9	73%	0.729	52%	0.518	S	S	*	.	H	α-helix	trans	-72.2	-25	178.3	-69.5	-174.1	-35.3	0	0	112.9	L11 I12 G16 K44	L11-Q14 PolarHBondContact O-N 3.38Å; I12-Q14 VanDerWaalsContact C-N 3.35Å; I12-Q14 PolarHBondContact O-N 3.14Å; Q14-G16 VanDerWaalsContact C-N 3.27Å; Q14-G16 PolarHBondContact O-N 3.26Å; Q14-K44 PolarHBondContact O-NZ 2.92Å; Q14-K44 VanDerWaalsContact O-NZ 3.14Å
15	L	54.5	Low	54.5	Low	61 Å²	61	87.6 Å²	87.6	32%	0.319	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-3.1	175.5	-74.2	161.2	0	0	0	113.3	L11 I12 S13 I17 K44	L11-L15 PolarHBondContact O-N 2.97Å; I12-L15 PolarHBondContact O-N 3.39Å; S13-L15 VanDerWaalsContact C-N 3.3Å; S13-L15 PolarHBondContact O-N 3.28Å; L15-I17 VanDerWaalsContact C-N 3.26Å; L15-I17 HydrophobicContact CB-CD1 3.64Å; L15-I17 HydrophobicContact CB-CG1 3.9Å; L15-I17 HydrophobicContact CD1-CD1 4.16Å; L15-K44 WeakPolarHBondContact O-CE 3.28Å
16	G	54.1	Low	56.5	Low	28 Å²	28	85.1 Å²	85.1	29%	0.289	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	32.5	-179.1	0	0	0	0	0	112.4	S13 Q14 Y43	S13-G16 PolarHBondContact O-N 3.15Å; Q14-G16 VanDerWaalsContact C-N 3.27Å; Q14-G16 PolarHBondContact O-N 3.26Å; G16-Y43 WeakPolarHBondContact O-CD2 3.19Å
17	I	53.3	Low	58.8	Low	23 Å²	23	80.6 Å²	80.6	12%	0.118	45%	0.445	C	S	.	.			trans	-95.1	112.2	176.2	-60.4	165.2	0	0	0	106.2	I12 L15 I40 W53	I12-I17 HydrophobicContact CG2-CB 3.68Å; I12-I17 HydrophobicContact CG2-CD1 4.33Å; I12-I17 HydrophobicContact CG2-CG2 3.78Å; I12-I17 PolarHBondContact O-N 2.9Å; L15-I17 VanDerWaalsContact C-N 3.26Å; L15-I17 HydrophobicContact CB-CD1 3.64Å; L15-I17 HydrophobicContact CB-CG1 3.9Å; L15-I17 HydrophobicContact CD1-CD1 4.16Å; I17-I40 HydrophobicContact CD1-CG2 4.11Å; I17-I40 HydrophobicContact CG1-CG2 4.32Å; I17-I40 HydrophobicContact CG2-CG2 3.79Å; I17-W53 HydrophobicContact CD1-CH2 3.89Å; I17-W53 HydrophobicContact CD1-CZ2 4.44Å
18	T	47.6	Very low	61.1	Low	80 Å²	80	76.2 Å²	76.2	49%	0.491	42%	0.421	S	S	.	.			trans	-119.6	137.8	176.8	49.7	0	0	0	0	109	Y43	T18-Y43 PolarHBondContact O-OH 2.79Å; T18-Y43 PolarHBondContact OG1-OH 2.89Å; T18-Y43 VanDerWaalsContact OG1-OH 3.11Å
19	T	43.2	Very low	63.1	Low	117 Å²	117	73.8 Å²	73.8	72%	0.718	40%	0.404	S	S	*	.			trans	-105.2	91.4	174.9	52	0	0	0	0	109
20	S	42	Very low	65.4	Low	88 Å²	88	67 Å²	67	62%	0.615	38%	0.377	S	S	*	.	S	Bend	trans	174.7	135.4	166.6	159.9	0	0	0	0	112.2
21	D	50.4	Low	67.6	Low	149 Å²	149	68.2 Å²	68.2	80%	0.797	38%	0.38	S	S	*	.	S	Bend	trans	55.8	95.9	178.3	-78.5	-11	0	0	0	117.3	C23	D21-C23 PolarHBondContact O-N 3.22Å; D21-C23 VanDerWaalsContact O-N 3.13Å
22	S	58.8	Low	70	Confident	96 Å²	96	67.1 Å²	67.1	67%	0.671	37%	0.373	S	S	*	.			trans	-2.6	93.6	178.6	67.6	0	0	0	0	113.8	K24	S22-K24 PolarHBondContact O-N 3.41Å
23	C	79.4	Confident	72.2	Confident	12 Å²	12	65.5 Å²	65.5	8%	0.081	37%	0.366	C	S	.	.			trans	-68	122.4	-179.8	148.6	0	0	0	0	110.3	D21 Y25 C26 Y43 P61	D21-C23 PolarHBondContact O-N 3.22Å; D21-C23 VanDerWaalsContact O-N 3.13Å; C23-Y25 PolarHBondContact O-N 3.34Å; C23-C26 HydrophobicContact CB-CB 4.13Å; C23-C26 WeakPolarHBondContact CB-SG 3.11Å; C23-C26 PolarHBondContact O-SG 3.47Å; C23-C26 VanDerWaalsContact O-SG 3.34Å; C23-C26 WeakPolarHBondContact SG-CA 3.27Å; C23-C26 WeakPolarHBondContact SG-CB 3.33Å; C23-C26 PolarHBondContact SG-N 3.28Å; C23-C26 CovalentContact SG-SG 2.01Å; C23-C26 PolarHBondContact SG-SG 3.41Å; C23-Y43 HydrophobicContact CB-CE1 3.67Å; C23-Y43 VanDerWaalsContact CB-OH 3.31Å; C23-Y43 WeakPolarHBondContact CB-OH 3.47Å; C23-Y43 WeakPolarHBondContact SG-CE1 3.35Å; C23-P61 WeakPolarHBondContact O-CG 3.47Å
24	K	82	Confident	74.6	Confident	146 Å²	146	67.5 Å²	67.5	64%	0.635	36%	0.361	S	S	*	.	S	Bend	trans	-75.4	-20.7	-174.9	-70.6	-177	177.3	179.1	0	114.6	S22 V63	S22-K24 PolarHBondContact O-N 3.41Å; K24-V63 WeakPolarHBondContact O-CG2 3.33Å
25	Y	88	Confident	76.8	Confident	55 Å²	55	63.2 Å²	63.2	22%	0.216	34%	0.341	C	S	.	.	S	Bend	trans	-130.1	10	-168	-66.5	-84.5	0	0	0	114.5	C23 V63 R68 P71 W73	C23-Y25 PolarHBondContact O-N 3.34Å; Y25-V63 HydrophobicContact CD1-CG2 4.16Å; Y25-V63 HydrophobicContact CE1-CG1 3.99Å; Y25-V63 HydrophobicContact CE1-CG2 4.03Å; Y25-R68 WeakPolarHBondContact OH-CD 3.15Å; Y25-P71 HydrophobicContact CD1-CB 4.32Å; Y25-P71 HydrophobicContact CD1-CG 4.15Å; Y25-W73 WeakPolarHBondContact O-CZ2 3.48Å
26	C	92.6	Very high	78.8	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.347	C	S	.	.			trans	-87.7	171.4	177.8	40.7	0	0	0	0	111.6	C23 E41 V42 Y43 P61	C23-C26 HydrophobicContact CB-CB 4.13Å; C23-C26 WeakPolarHBondContact CB-SG 3.11Å; C23-C26 PolarHBondContact O-SG 3.47Å; C23-C26 VanDerWaalsContact O-SG 3.34Å; C23-C26 WeakPolarHBondContact SG-CA 3.27Å; C23-C26 WeakPolarHBondContact SG-CB 3.33Å; C23-C26 PolarHBondContact SG-N 3.28Å; C23-C26 CovalentContact SG-SG 2.01Å; C23-C26 PolarHBondContact SG-SG 3.41Å; C26-E41 HydrophobicContact CB-CB 4.31Å; C26-V42 WeakPolarHBondContact CA-O 3.43Å; C26-V42 WeakPolarHBondContact CB-O 3.47Å; C26-Y43 HydrophobicContact CB-CD1 4.34Å; C26-Y43 HydrophobicContact CB-CE1 4.42Å; C26-Y43 HydrophobicContact CB-CG 4.48Å; C26-P61 WeakPolarHBondContact O-CD 3.09Å
27	L	95.7	Very high	80.7	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.7	159	175.5	76.8	0	0	0	108.4	L29 E41 V42 V58 V60 W73 L75 I108	L27-L29 HydrophobicContact CD2-CD1 3.71Å; L27-L29 HydrophobicContact CD2-CG 4.28Å; L27-L29 HydrophobicContact CG-CD1 3.82Å; L27-L29 HydrophobicContact CG-CG 4.37Å; L27-E41 CarbonylContact O-C 3.58Å; L27-E41 WeakPolarHBondContact O-CA 3.29Å; L27-V42 HydrophobicContact CB-CB 4.21Å; L27-V42 PolarHBondContact N-O 2.95Å; L27-V42 PolarHBondContact O-N 2.76Å; L27-V58 HydrophobicContact CD1-CG1 3.37Å; L27-V58 HydrophobicContact CG-CG1 4.07Å; L27-V60 HydrophobicContact CD1-CG2 3.89Å; L27-W73 HydrophobicContact CB-CD2 3.6Å; L27-W73 HydrophobicContact CB-CE3 3.88Å; L27-W73 HydrophobicContact CB-CG 3.94Å; L27-W73 HydrophobicContact CB-CH2 4.34Å; L27-W73 HydrophobicContact CB-CZ2 4.13Å; L27-W73 HydrophobicContact CB-CZ3 4.23Å; L27-W73 HydrophobicContact CD1-CB 4.02Å; L27-W73 HydrophobicContact CD1-CG 4.12Å; L27-W73 HydrophobicContact CD2-CD2 4.49Å; L27-W73 HydrophobicContact CD2-CE3 4.18Å; L27-W73 HydrophobicContact CG-CD2 4.47Å; L27-L75 HydrophobicContact CD1-CD2 4.35Å; L27-L75 HydrophobicContact CD2-CD2 3.41Å; L27-L75 VanDerWaalsContact CD2-CD2 3.41Å; L27-I108 HydrophobicContact CD2-CD1 4.09Å; L27-I108 HydrophobicContact CD2-CG2 3.74Å
28	Q	95.6	Very high	82.6	Confident	23 Å²	23	69.7 Å²	69.7	11%	0.107	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.2	175.8	-66.6	175.5	-27.6	0	0	109	Y30 Y39 I40 E41 V58 C59 P61	Q28-Y30 HydrophobicContact CB-CD2 4.38Å; Q28-Y30 HydrophobicContact CB-CE2 3.63Å; Q28-Y30 PolarHBondContact OE1-OH 3.24Å; Q28-Y39 HydrophobicContact CB-CD2 4.47Å; Q28-Y39 HydrophobicContact CG-CD2 4.3Å; Q28-I40 WeakPolarHBondContact CA-O 3.35Å; Q28-E41 HydrophobicContact CG-CG 4.39Å; Q28-V58 CarbonylContact O-C 3.53Å; Q28-V58 WeakPolarHBondContact O-CA 3.43Å; Q28-V58 WeakPolarHBondContact O-CG1 3.26Å; Q28-C59 HydrophobicContact CB-CB 4.46Å; Q28-C59 PolarHBondContact N-O 3.33Å; Q28-C59 PolarHBondContact O-N 3.46Å; Q28-P61 HydrophobicContact CG-CG 4.31Å
29	L	96.9	Very high	84.8	Confident	6 Å²	6	70.2 Å²	70.2	3%	0.031	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	115.3	176.9	-61.2	92.3	0	0	0	108	L27 Y39 I40 V42 W53 P55 V58 I105 I108	L27-L29 HydrophobicContact CD2-CD1 3.71Å; L27-L29 HydrophobicContact CD2-CG 4.28Å; L27-L29 HydrophobicContact CG-CD1 3.82Å; L27-L29 HydrophobicContact CG-CG 4.37Å; L29-Y39 CarbonylContact O-C 3.55Å; L29-Y39 WeakPolarHBondContact O-CA 3.25Å; L29-Y39 WeakPolarHBondContact O-CB 3.42Å; L29-I40 PolarHBondContact N-O 2.9Å; L29-I40 PolarHBondContact O-N 2.76Å; L29-V42 HydrophobicContact CD1-CB 4.34Å; L29-V42 HydrophobicContact CD1-CG2 3.45Å; L29-V42 VanDerWaalsContact CD1-CG2 3.45Å; L29-W53 HydrophobicContact CD1-CZ3 4.49Å; L29-W53 HydrophobicContact CD2-CE3 4.02Å; L29-P55 HydrophobicContact CB-CB 4.1Å; L29-P55 HydrophobicContact CD2-CB 4.44Å; L29-P55 HydrophobicContact CD2-CG 4.18Å; L29-V58 HydrophobicContact CG-CG1 4.49Å; L29-V58 HydrophobicContact CG-CG2 4.49Å; L29-I105 HydrophobicContact CD2-CD1 3.55Å; L29-I108 HydrophobicContact CD2-CD1 4.44Å
30	Y	96.6	Very high	87.2	Confident	28 Å²	28	67.3 Å²	67.3	11%	0.11	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	143.2	-176.9	-66.2	-96.6	0	0	0	110.3	Q28 E32 E35 S38 Y39 P55 G56 S57 C59	Q28-Y30 HydrophobicContact CB-CD2 4.38Å; Q28-Y30 HydrophobicContact CB-CE2 3.63Å; Q28-Y30 PolarHBondContact OE1-OH 3.24Å; Y30-E32 VanDerWaalsContact C-N 3.28Å; Y30-E32 PolarHBondContact O-N 3.44Å; Y30-E35 VanDerWaalsContact CD1-C 3.43Å; Y30-E35 HydrophobicContact CD1-CB 4.34Å; Y30-E35 WeakPolarHBondContact CD1-O 3.2Å; Y30-E35 HydrophobicContact CD2-CB 4.42Å; Y30-E35 HydrophobicContact CD2-CG 4.41Å; Y30-E35 HydrophobicContact CE1-CB 4.1Å; Y30-E35 WeakPolarHBondContact CE1-O 3.5Å; Y30-E35 HydrophobicContact CE2-CB 4.19Å; Y30-E35 HydrophobicContact CE2-CG 4.11Å; Y30-S38 WeakPolarHBondContact CA-O 3.26Å; Y30-Y39 HydrophobicContact CD1-CD1 4.34Å; Y30-Y39 HydrophobicContact CD1-CG 4.23Å; Y30-Y39 AromaticContact CE1-CD1 3.89Å; Y30-Y39 HydrophobicContact CE1-CD1 3.89Å; Y30-Y39 AromaticContact CE1-CG 3.91Å; Y30-Y39 HydrophobicContact CE1-CG 3.91Å; Y30-P55 CarbonylContact O-C 3.54Å; Y30-P55 WeakPolarHBondContact O-CA 3.4Å; Y30-P55 WeakPolarHBondContact O-CB 3.34Å; Y30-G56 PolarHBondContact O-N 2.77Å; Y30-S57 VanDerWaalsContact CB-OG 3.3Å; Y30-S57 WeakPolarHBondContact CB-OG 3.18Å; Y30-S57 PolarHBondContact N-O 3.39Å; Y30-S57 PolarHBondContact O-N 2.54Å; Y30-C59 HydrophobicContact CE2-CB 4.11Å
31	D	95.4	Very high	89.7	Confident	103 Å²	103	63.2 Å²	63.2	55%	0.551	32%	0.321	S	S	*	.	S	Bend	trans	-66.3	-32.4	177.5	-71.1	-20.2	0	0	0	111.8	S38 G56	D31-S38 PolarHBondContact N-O 3.44Å; D31-G56 PolarHBondContact O-N 3.19Å
32	E	97.5	Very high	91.8	Very high	83 Å²	83	56.3 Å²	56.3	39%	0.388	29%	0.285	S	S	.	.	S	Bend	trans	-110.1	167.6	-179.3	-59.1	-178.3	-114.9	0	0	112.8	Y30 R36 G37 G56 S57	Y30-E32 VanDerWaalsContact C-N 3.28Å; Y30-E32 PolarHBondContact O-N 3.44Å; E32-R36 HydrophobicContact CB-CB 3.88Å; E32-R36 WeakPolarHBondContact CB-O 3.39Å; E32-R36 PolarHBondContact N-O 3.43Å; E32-R36 IonicContact OE2-CZ 3.64Å; E32-R36 VanDerWaalsContact OE2-CZ 3.23Å; E32-R36 IonicContact OE2-NH1 3.22Å; E32-R36 PolarHBondContact OE2-NH1 2.75Å; E32-R36 IonicContact OE2-NH2 3.23Å; E32-R36 PolarHBondContact OE2-NH2 2.67Å; E32-G37 WeakPolarHBondContact OE1-CA 3.39Å; E32-G37 PolarHBondContact OE1-N 2.69Å; E32-G56 CarbonylContact O-C 3.53Å; E32-G56 VanDerWaalsContact O-C 3.3Å; E32-S57 WeakPolarHBondContact O-CB 3.37Å; E32-S57 PolarHBondContact O-N 3.11Å; E32-S57 PolarHBondContact O-OG 3.14Å
33	T	97.7	Very high	93.4	Very high	34 Å²	34	54.7 Å²	54.7	21%	0.209	26%	0.264	C	S	.	.	S	Bend	trans	-70.9	155.7	171	55.7	0	0	0	0	111.7	R36 D95 D96	T33-R36 PolarHBondContact O-NE 2.87Å; T33-R36 PolarHBondContact O-NH2 2.75Å; T33-R36 PolarHBondContact OG1-NH2 3.18Å; T33-D95 CarbonylContact C-O 3.44Å; T33-D95 WeakPolarHBondContact CA-O 3.01Å; T33-D95 WeakPolarHBondContact CB-O 3.08Å; T33-D96 HydrophobicContact CG2-CB 4.12Å
34	Y	96.8	Very high	94	Very high	130 Å²	130	58.1 Å²	58.1	51%	0.51	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	44.6	178.4	-55	-86	0	0	0	113.3	R36 D95	Y34-R36 WeakPolarHBondContact O-CG 3.28Å; Y34-R36 PolarHBondContact O-N 3.03Å; Y34-R36 VanDerWaalsContact O-N 3.13Å; Y34-D95 HydrophobicContact CD1-CB 3.51Å; Y34-D95 HydrophobicContact CE1-CB 3.58Å; Y34-D95 HydrophobicContact CG-CB 4.17Å; Y34-D95 PolarHBondContact N-O 2.85Å
35	E	95.5	Very high	94.6	Very high	66 Å²	66	51.4 Å²	51.4	31%	0.308	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	29.2	174.7	-58	72.5	-133.3	0	0	114	Y30 S57 C59 C93	Y30-E35 VanDerWaalsContact CD1-C 3.43Å; Y30-E35 HydrophobicContact CD1-CB 4.34Å; Y30-E35 WeakPolarHBondContact CD1-O 3.2Å; Y30-E35 HydrophobicContact CD2-CB 4.42Å; Y30-E35 HydrophobicContact CD2-CG 4.41Å; Y30-E35 HydrophobicContact CE1-CB 4.1Å; Y30-E35 WeakPolarHBondContact CE1-O 3.5Å; Y30-E35 HydrophobicContact CE2-CB 4.19Å; Y30-E35 HydrophobicContact CE2-CG 4.11Å; E35-S57 WeakPolarHBondContact CA-OG 3.27Å; E35-S57 PolarHBondContact N-OG 3.5Å; E35-C59 WeakPolarHBondContact CG-SG 3.37Å; E35-C59 PolarHBondContact OE1-SG 2.99Å; E35-C93 WeakPolarHBondContact OE1-CB 3.21Å
36	R	95.1	Very high	94.9	Very high	119 Å²	119	49.5 Å²	49.5	45%	0.449	24%	0.243	S	C	.	.			trans	-99.3	165.2	179.9	-66	-177.2	-56.3	108.3	11.6	111.9	E32 T33 Y34	E32-R36 HydrophobicContact CB-CB 3.88Å; E32-R36 WeakPolarHBondContact CB-O 3.39Å; E32-R36 PolarHBondContact N-O 3.43Å; E32-R36 IonicContact OE2-CZ 3.64Å; E32-R36 VanDerWaalsContact OE2-CZ 3.23Å; E32-R36 IonicContact OE2-NH1 3.22Å; E32-R36 PolarHBondContact OE2-NH1 2.75Å; E32-R36 IonicContact OE2-NH2 3.23Å; E32-R36 PolarHBondContact OE2-NH2 2.67Å; T33-R36 PolarHBondContact O-NE 2.87Å; T33-R36 PolarHBondContact O-NH2 2.75Å; T33-R36 PolarHBondContact OG1-NH2 3.18Å; Y34-R36 WeakPolarHBondContact O-CG 3.28Å; Y34-R36 PolarHBondContact O-N 3.03Å; Y34-R36 VanDerWaalsContact O-N 3.13Å
37	G	93.7	Very high	95	Very high	42 Å²	42	50.4 Å²	50.4	43%	0.433	25%	0.253	S	S	.	.	S	Bend	trans	78.4	-169.4	177.6	0	0	0	0	0	113	E32	E32-G37 WeakPolarHBondContact OE1-CA 3.39Å; E32-G37 PolarHBondContact OE1-N 2.69Å
38	S	94.3	Very high	94.9	Very high	86 Å²	86	53.8 Å²	53.8	60%	0.601	28%	0.277	S	S	*	.			trans	-68.2	154.8	173.1	-59.2	0	0	0	0	109.8	Y30 D31	Y30-S38 WeakPolarHBondContact CA-O 3.26Å; D31-S38 PolarHBondContact N-O 3.44Å
39	Y	93.9	Very high	94.9	Very high	91 Å²	91	53.3 Å²	53.3	36%	0.357	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	156.7	176.7	67	-84.1	0	0	0	111.8	Q28 L29 Y30 E41	Q28-Y39 HydrophobicContact CB-CD2 4.47Å; Q28-Y39 HydrophobicContact CG-CD2 4.3Å; L29-Y39 CarbonylContact O-C 3.55Å; L29-Y39 WeakPolarHBondContact O-CA 3.25Å; L29-Y39 WeakPolarHBondContact O-CB 3.42Å; Y30-Y39 HydrophobicContact CD1-CD1 4.34Å; Y30-Y39 HydrophobicContact CD1-CG 4.23Å; Y30-Y39 AromaticContact CE1-CD1 3.89Å; Y30-Y39 HydrophobicContact CE1-CD1 3.89Å; Y30-Y39 AromaticContact CE1-CG 3.91Å; Y30-Y39 HydrophobicContact CE1-CG 3.91Å; Y39-E41 HydrophobicContact CD2-CG 3.85Å; Y39-E41 HydrophobicContact CE2-CG 3.53Å
40	I	93.8	Very high	94.7	Very high	56 Å²	56	58.5 Å²	58.5	29%	0.287	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135.4	173.7	-62.2	172.5	0	0	0	108.3	I17 Q28 L29 V42 W53	I17-I40 HydrophobicContact CD1-CG2 4.11Å; I17-I40 HydrophobicContact CG1-CG2 4.32Å; I17-I40 HydrophobicContact CG2-CG2 3.79Å; Q28-I40 WeakPolarHBondContact CA-O 3.35Å; L29-I40 PolarHBondContact N-O 2.9Å; L29-I40 PolarHBondContact O-N 2.76Å; I40-V42 HydrophobicContact CG2-CG2 4.35Å; I40-W53 HydrophobicContact CD1-CH2 4.45Å; I40-W53 HydrophobicContact CG2-CH2 3.97Å; I40-W53 HydrophobicContact CG2-CZ3 3.96Å
41	E	94.9	Very high	94.6	Very high	2 Å²	2	62 Å²	62	1%	0.009	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.6	172.1	-61.6	-171.7	142.9	0	0	110.9	C26 L27 Q28 Y39 Y43	C26-E41 HydrophobicContact CB-CB 4.31Å; L27-E41 CarbonylContact O-C 3.58Å; L27-E41 WeakPolarHBondContact O-CA 3.29Å; Q28-E41 HydrophobicContact CG-CG 4.39Å; Y39-E41 HydrophobicContact CD2-CG 3.85Å; Y39-E41 HydrophobicContact CE2-CG 3.53Å; E41-Y43 HydrophobicContact CB-CD2 4.26Å; E41-Y43 HydrophobicContact CB-CE2 3.47Å; E41-Y43 VanDerWaalsContact CB-CE2 3.47Å; E41-Y43 PolarHBondContact OE2-OH 2.68Å
42	V	93.9	Very high	94.7	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.03	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122	177.7	-179.5	0	0	0	0	109.5	C26 L27 L29 I40 K44 V46 W53 W73 I108	C26-V42 WeakPolarHBondContact CA-O 3.43Å; C26-V42 WeakPolarHBondContact CB-O 3.47Å; L27-V42 HydrophobicContact CB-CB 4.21Å; L27-V42 PolarHBondContact N-O 2.95Å; L27-V42 PolarHBondContact O-N 2.76Å; L29-V42 HydrophobicContact CD1-CB 4.34Å; L29-V42 HydrophobicContact CD1-CG2 3.45Å; L29-V42 VanDerWaalsContact CD1-CG2 3.45Å; I40-V42 HydrophobicContact CG2-CG2 4.35Å; V42-K44 WeakPolarHBondContact CG1-O 3.31Å; V42-V46 HydrophobicContact CG1-CG2 4.35Å; V42-W53 HydrophobicContact CG2-CH2 4.43Å; V42-W53 HydrophobicContact CG2-CZ3 3.75Å; V42-W73 HydrophobicContact CB-CH2 4.49Å; V42-W73 HydrophobicContact CG1-CH2 4.05Å; V42-W73 HydrophobicContact CG1-CZ3 3.86Å; V42-W73 WeakPolarHBondContact O-CH2 3.41Å; V42-W73 VanDerWaalsContact O-CZ2 3.26Å; V42-W73 WeakPolarHBondContact O-CZ2 3.27Å; V42-I108 HydrophobicContact CG1-CD1 4.33Å; V42-I108 HydrophobicContact CG1-CG2 4.26Å; V42-I108 HydrophobicContact CG2-CD1 4.14Å
43	Y	91.7	Very high	94.6	Very high	61 Å²	61	58.7 Å²	58.7	24%	0.239	32%	0.322	C	S	.	.			trans	-105.8	-17.3	-172.5	-68.4	-97.2	0	0	0	114.1	G16 T18 C23 C26 E41 R110	G16-Y43 WeakPolarHBondContact O-CD2 3.19Å; T18-Y43 PolarHBondContact O-OH 2.79Å; T18-Y43 PolarHBondContact OG1-OH 2.89Å; T18-Y43 VanDerWaalsContact OG1-OH 3.11Å; C23-Y43 HydrophobicContact CB-CE1 3.67Å; C23-Y43 VanDerWaalsContact CB-OH 3.31Å; C23-Y43 WeakPolarHBondContact CB-OH 3.47Å; C23-Y43 WeakPolarHBondContact SG-CE1 3.35Å; C26-Y43 HydrophobicContact CB-CD1 4.34Å; C26-Y43 HydrophobicContact CB-CE1 4.42Å; C26-Y43 HydrophobicContact CB-CG 4.48Å; E41-Y43 HydrophobicContact CB-CD2 4.26Å; E41-Y43 HydrophobicContact CB-CE2 3.47Å; E41-Y43 VanDerWaalsContact CB-CE2 3.47Å; E41-Y43 PolarHBondContact OE2-OH 2.68Å; Y43-R110 WeakPolarHBondContact O-CD 3.35Å; Y43-R110 PolarHBondContact O-NH1 2.04Å
44	K	92.4	Very high	94.6	Very high	84 Å²	84	62.2 Å²	62.2	37%	0.365	34%	0.343	S	S	.	.	S	Bend	trans	-140.9	162.5	-177.5	63.5	-177.1	177.7	-166.9	0	110.2	Q14 L15 V42	Q14-K44 PolarHBondContact O-NZ 2.92Å; Q14-K44 VanDerWaalsContact O-NZ 3.14Å; L15-K44 WeakPolarHBondContact O-CE 3.28Å; V42-K44 WeakPolarHBondContact CG1-O 3.31Å
45	S	94.6	Very high	94.6	Very high	6 Å²	6	56.3 Å²	56.3	4%	0.042	32%	0.32	C	S	.	.			trans	-59	149.5	173.2	-44	0	0	0	0	111.6	Y81 I108 R110 Q124	S45-Y81 WeakPolarHBondContact CB-OH 3.21Å; S45-I108 CarbonylContact C-O 3.6Å; S45-I108 WeakPolarHBondContact CA-O 3.36Å; S45-I108 VanDerWaalsContact CB-O 3.26Å; S45-I108 WeakPolarHBondContact CB-O 3.48Å; S45-R110 PolarHBondContact OG-N 3.27Å; S45-Q124 PolarHBondContact O-NE2 2.96Å
46	V	94.1	Very high	94.8	Very high	14 Å²	14	53.4 Å²	53.4	9%	0.085	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-128.6	114	175.1	-176.1	0	0	0	0	107.7	V42 S48 L49 Y81 S107 I108	V42-V46 HydrophobicContact CG1-CG2 4.35Å; V46-S48 VanDerWaalsContact C-N 3.35Å; V46-S48 WeakPolarHBondContact CG1-O 3.09Å; V46-L49 HydrophobicContact CG1-CD2 3.63Å; V46-L49 HydrophobicContact CG1-CG 3.85Å; V46-Y81 WeakPolarHBondContact O-CE1 3.25Å; V46-S107 CarbonylContact O-C 3.35Å; V46-S107 VanDerWaalsContact O-CA 3.26Å; V46-S107 WeakPolarHBondContact O-CA 3.31Å; V46-S107 WeakPolarHBondContact O-CB 3.26Å; V46-I108 HydrophobicContact CB-CB 4.47Å; V46-I108 PolarHBondContact N-O 3.49Å; V46-I108 PolarHBondContact O-N 3.45Å
47	G	94.2	Very high	94.9	Very high	20 Å²	20	47.8 Å²	47.8	21%	0.206	29%	0.287	C	S	.	.	S	Bend	trans	-76.9	-18.3	-176.2	0	0	0	0	0	114.3	N80 Y81	G47-N80 PolarHBondContact O-N 2.79Å; G47-Y81 PolarHBondContact N-OH 3.5Å
48	S	95.1	Very high	95.1	Very high	71 Å²	71	45.8 Å²	45.8	50%	0.497	27%	0.267	S	S	.	.			trans	-157.4	128.9	178.5	-179	0	0	0	0	110.6	V46 V79 S106	V46-S48 VanDerWaalsContact C-N 3.35Å; V46-S48 WeakPolarHBondContact CG1-O 3.09Å; S48-V79 WeakPolarHBondContact OG-CG1 3.17Å; S48-S106 CarbonylContact C-O 3.57Å; S48-S106 WeakPolarHBondContact CA-O 3.41Å
49	L	94.1	Very high	95.2	Very high	13 Å²	13	41.9 Å²	41.9	7%	0.068	24%	0.24	C	C	.	.			trans	-117.7	121	169.8	-66.6	170.2	0	0	0	107.6	V46 P51 W53 I105 S106 I108	V46-L49 HydrophobicContact CG1-CD2 3.63Å; V46-L49 HydrophobicContact CG1-CG 3.85Å; L49-P51 CarbonylContact C-O 3.49Å; L49-P51 CarbonylContact O-C 3.52Å; L49-W53 HydrophobicContact CD1-CB 4.31Å; L49-W53 HydrophobicContact CD1-CD2 3.74Å; L49-W53 HydrophobicContact CD1-CE3 3.91Å; L49-W53 HydrophobicContact CD1-CG 3.91Å; L49-W53 HydrophobicContact CD2-CD2 3.97Å; L49-W53 HydrophobicContact CD2-CE3 4.43Å; L49-W53 HydrophobicContact CD2-CG 4.46Å; L49-W53 HydrophobicContact CD2-CH2 4.27Å; L49-W53 HydrophobicContact CD2-CZ2 3.75Å; L49-W53 HydrophobicContact CG-CD2 4.43Å; L49-I105 HydrophobicContact CD1-CG2 4.2Å; L49-I105 WeakPolarHBondContact CD1-O 3.26Å; L49-S106 PolarHBondContact N-O 3.03Å; L49-I108 HydrophobicContact CD1-CD1 4.02Å; L49-I108 HydrophobicContact CD1-CG1 4.27Å
50	S	93.6	Very high	95.3	Very high	115 Å²	115	37.6 Å²	37.6	80%	0.804	22%	0.223	S	C	*	.	S	Bend	trans	-137.7	112.2	177.8	-168.4	0	0	0	0	108.8
51	P	95.1	Very high	95.3	Very high	101 Å²	101	36.2 Å²	36.2	66%	0.656	22%	0.217	S	C	*	.	S	Bend	cis	-65.4	161.5	-3.2	30.8	-36.3	0	0	0	112.8	L49	L49-P51 CarbonylContact C-O 3.49Å; L49-P51 CarbonylContact O-C 3.52Å
52	P	96	Very high	95.1	Very high	57 Å²	57	42.4 Å²	42.4	37%	0.37	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-57.4	143.4	170.3	-22.7	34.1	0	0	0	111.1	I105 S106	P52-I105 CarbonylContact C-O 3.56Å; P52-I105 VanDerWaalsContact CA-O 3.27Å; P52-I105 WeakPolarHBondContact CA-O 3.08Å; P52-S106 WeakPolarHBondContact CG-OG 2.76Å
53	W	97.1	Very high	94.9	Very high	60 Å²	60	42.7 Å²	42.7	23%	0.227	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-82.2	134.7	177.4	-70.4	-2.6	0	0	0	111.1	I17 L29 I40 V42 L49 P55 G104 I105 I108	I17-W53 HydrophobicContact CD1-CH2 3.89Å; I17-W53 HydrophobicContact CD1-CZ2 4.44Å; L29-W53 HydrophobicContact CD1-CZ3 4.49Å; L29-W53 HydrophobicContact CD2-CE3 4.02Å; I40-W53 HydrophobicContact CD1-CH2 4.45Å; I40-W53 HydrophobicContact CG2-CH2 3.97Å; I40-W53 HydrophobicContact CG2-CZ3 3.96Å; V42-W53 HydrophobicContact CG2-CH2 4.43Å; V42-W53 HydrophobicContact CG2-CZ3 3.75Å; L49-W53 HydrophobicContact CD1-CB 4.31Å; L49-W53 HydrophobicContact CD1-CD2 3.74Å; L49-W53 HydrophobicContact CD1-CE3 3.91Å; L49-W53 HydrophobicContact CD1-CG 3.91Å; L49-W53 HydrophobicContact CD2-CD2 3.97Å; L49-W53 HydrophobicContact CD2-CE3 4.43Å; L49-W53 HydrophobicContact CD2-CG 4.46Å; L49-W53 HydrophobicContact CD2-CH2 4.27Å; L49-W53 HydrophobicContact CD2-CZ2 3.75Å; L49-W53 HydrophobicContact CG-CD2 4.43Å; W53-P55 VanDerWaalsContact O-CD 3.28Å; W53-P55 WeakPolarHBondContact O-CD 3.46Å; W53-G104 CarbonylContact O-C 3.54Å; W53-G104 WeakPolarHBondContact O-CA 3.39Å; W53-I105 PolarHBondContact N-O 3.24Å; W53-I105 PolarHBondContact O-N 3.34Å; W53-I108 HydrophobicContact CE3-CD1 4.37Å; W53-I108 HydrophobicContact CZ3-CD1 4.42Å
54	T	97.3	Very high	94.3	Very high	107 Å²	107	46 Å²	46	66%	0.656	27%	0.268	S	S	*	.			trans	-119.6	76.2	-174.6	55.4	0	0	0	0	111.3	K103	T54-K103 WeakPolarHBondContact CA-O 3.2Å
55	P	97.2	Very high	93.7	Very high	6 Å²	6	44.7 Å²	44.7	4%	0.039	27%	0.265	C	S	.	.			trans	-72.5	154.1	-178.4	33	-37.4	0	0	0	112	L29 Y30 W53 V58 F97 I105	L29-P55 HydrophobicContact CB-CB 4.1Å; L29-P55 HydrophobicContact CD2-CB 4.44Å; L29-P55 HydrophobicContact CD2-CG 4.18Å; Y30-P55 CarbonylContact O-C 3.54Å; Y30-P55 WeakPolarHBondContact O-CA 3.4Å; Y30-P55 WeakPolarHBondContact O-CB 3.34Å; W53-P55 VanDerWaalsContact O-CD 3.28Å; W53-P55 WeakPolarHBondContact O-CD 3.46Å; P55-V58 HydrophobicContact CB-CG2 3.99Å; P55-V58 HydrophobicContact CG-CG2 3.55Å; P55-F97 HydrophobicContact CG-CB 4.41Å; P55-F97 HydrophobicContact CG-CD1 3.63Å; P55-F97 HydrophobicContact CG-CE1 4.13Å; P55-F97 HydrophobicContact CG-CG 4.06Å; P55-I105 HydrophobicContact CG-CD1 3.7Å
56	G	97.8	Very high	92.7	Very high	6 Å²	6	49.7 Å²	49.7	6%	0.062	30%	0.295	C	S	.	.	S	Bend	trans	-77.6	-40.2	168.5	0	0	0	0	0	112.2	Y30 D31 E32 F97	Y30-G56 PolarHBondContact O-N 2.77Å; D31-G56 PolarHBondContact O-N 3.19Å; E32-G56 CarbonylContact O-C 3.53Å; E32-G56 VanDerWaalsContact O-C 3.3Å; G56-F97 PolarHBondContact O-N 3.16Å
57	S	98	Very high	91.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	159.5	174.8	56.1	0	0	0	0	111.9	Y30 E32 E35 I94 D95	Y30-S57 VanDerWaalsContact CB-OG 3.3Å; Y30-S57 WeakPolarHBondContact CB-OG 3.18Å; Y30-S57 PolarHBondContact N-O 3.39Å; Y30-S57 PolarHBondContact O-N 2.54Å; E32-S57 WeakPolarHBondContact O-CB 3.37Å; E32-S57 PolarHBondContact O-N 3.11Å; E32-S57 PolarHBondContact O-OG 3.14Å; E35-S57 WeakPolarHBondContact CA-OG 3.27Å; E35-S57 PolarHBondContact N-OG 3.5Å; S57-I94 WeakPolarHBondContact CA-O 3.39Å; S57-I94 WeakPolarHBondContact CB-O 3.44Å; S57-D95 WeakPolarHBondContact CB-O 3.4Å
58	V	97.7	Very high	90.8	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	133.6	-177.2	-175.9	0	0	0	0	110.2	L27 Q28 L29 P55 L75 L88 C93 I94 F97	L27-V58 HydrophobicContact CD1-CG1 3.37Å; L27-V58 HydrophobicContact CG-CG1 4.07Å; Q28-V58 CarbonylContact O-C 3.53Å; Q28-V58 WeakPolarHBondContact O-CA 3.43Å; Q28-V58 WeakPolarHBondContact O-CG1 3.26Å; L29-V58 HydrophobicContact CG-CG1 4.49Å; L29-V58 HydrophobicContact CG-CG2 4.49Å; P55-V58 HydrophobicContact CB-CG2 3.99Å; P55-V58 HydrophobicContact CG-CG2 3.55Å; V58-L75 HydrophobicContact CG1-CD1 4.07Å; V58-L75 HydrophobicContact CG2-CD1 4.33Å; V58-L88 HydrophobicContact CB-CD2 4.28Å; V58-L88 HydrophobicContact CG1-CD1 4.45Å; V58-L88 HydrophobicContact CG1-CD2 3.99Å; V58-C93 CarbonylContact O-C 3.5Å; V58-C93 VanDerWaalsContact O-CA 3.3Å; V58-C93 WeakPolarHBondContact O-CA 3.43Å; V58-I94 PolarHBondContact N-O 2.88Å; V58-I94 VanDerWaalsContact N-O 3.17Å; V58-I94 PolarHBondContact O-N 2.7Å; V58-F97 HydrophobicContact CB-CD2 4.4Å; V58-F97 HydrophobicContact CG2-CB 4.23Å; V58-F97 HydrophobicContact CG2-CD2 3.76Å; V58-F97 HydrophobicContact CG2-CE2 4.28Å; V58-F97 HydrophobicContact CG2-CG 3.92Å
59	C	97.2	Very high	90.3	Very high	5 Å²	5	65.3 Å²	65.3	3%	0.034	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	153.7	178.2	-68.5	0	0	0	0	113	Q28 Y30 E35 T92 C93	Q28-C59 HydrophobicContact CB-CB 4.46Å; Q28-C59 PolarHBondContact N-O 3.33Å; Q28-C59 PolarHBondContact O-N 3.46Å; Y30-C59 HydrophobicContact CE2-CB 4.11Å; E35-C59 WeakPolarHBondContact CG-SG 3.37Å; E35-C59 PolarHBondContact OE1-SG 2.99Å; C59-T92 WeakPolarHBondContact CA-O 2.97Å; C59-C93 HydrophobicContact CB-CB 4.19Å; C59-C93 WeakPolarHBondContact CB-SG 3.34Å; C59-C93 WeakPolarHBondContact SG-CB 3.47Å; C59-C93 CovalentContact SG-SG 2.04Å; C59-C93 PolarHBondContact SG-SG 2.81Å
60	V	96	Very high	90.2	Very high	1 Å²	1	68.5 Å²	68.5	1%	0.006	36%	0.356	C	S	.	.			trans	-116.6	120.3	162.4	-175.8	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 4.03Å; V60-P71 HydrophobicContact CG1-CG 3.81Å; V60-W73 HydrophobicContact CG2-CB 4.26Å; V60-W73 HydrophobicContact CG2-CG 4.16Å; V60-L88 HydrophobicContact CG2-CB 3.65Å; V60-G89 WeakPolarHBondContact CB-O 3.39Å; V60-G91 VanDerWaalsContact O-CA 3.31Å; V60-G91 WeakPolarHBondContact O-CA 3.2Å; V60-G91 PolarHBondContact O-N 2.88Å; V60-T92 PolarHBondContact N-O 2.82Å
61	P	93.3	Very high	90.2	Very high	26 Å²	26	63.1 Å²	63.1	17%	0.169	32%	0.319	C	S	.	.			trans	-54.7	146.3	179.9	-30.9	39.9	0	0	0	113.2	C23 C26 Q28 V63 G91	C23-P61 WeakPolarHBondContact O-CG 3.47Å; C26-P61 WeakPolarHBondContact O-CD 3.09Å; Q28-P61 HydrophobicContact CG-CG 4.31Å; P61-V63 PolarHBondContact O-N 2.83Å; P61-G91 PolarHBondContact O-N 2.96Å
62	F	91.7	Very high	90.2	Very high	132 Å²	132	60.3 Å²	60.3	58%	0.579	30%	0.295	S	S	*	.			trans	-70.5	123.7	177.5	-176	-100.8	0	0	0	110.8	N64 H90	F62-N64 HydrophobicContact CD1-CB 4.16Å; F62-N64 HydrophobicContact CE1-CB 3.66Å; F62-H90 AromaticContact CD2-CE1 3.76Å; F62-H90 AromaticContact CD2-ND1 3.65Å; F62-H90 AromaticContact CE2-CE1 3.39Å; F62-H90 WeakPolarHBondContact CE2-CE1 3.33Å; F62-H90 AromaticContact CE2-ND1 3.75Å
63	V	88	Confident	90.2	Very high	11 Å²	11	57.6 Å²	57.6	7%	0.067	28%	0.278	C	S	.	.			trans	-101.1	112	172.1	179.7	0	0	0	0	109.6	K24 Y25 P61 D65 P71 H90	K24-V63 WeakPolarHBondContact O-CG2 3.33Å; Y25-V63 HydrophobicContact CD1-CG2 4.16Å; Y25-V63 HydrophobicContact CE1-CG1 3.99Å; Y25-V63 HydrophobicContact CE1-CG2 4.03Å; P61-V63 PolarHBondContact O-N 2.83Å; V63-D65 VanDerWaalsContact C-N 3.31Å; V63-D65 HydrophobicContact CG1-CB 3.92Å; V63-P71 VanDerWaalsContact CG2-CD 3.48Å; V63-P71 HydrophobicContact CG2-CG 3.68Å; V63-H90 HydrophobicContact CB-CB 4.47Å; V63-H90 PolarHBondContact N-ND1 2.82Å; V63-H90 PolarHBondContact O-ND1 3.13Å; V63-H90 VanDerWaalsContact O-ND1 3.14Å
64	N	80.5	Confident	90.3	Very high	130 Å²	130	57.5 Å²	57.5	70%	0.695	28%	0.277	S	S	*	.			trans	-88.4	5.6	175.9	-160.7	21.1	0	0	0	113.4	F62 T66	F62-N64 HydrophobicContact CD1-CB 4.16Å; F62-N64 HydrophobicContact CE1-CB 3.66Å; N64-T66 PolarHBondContact O-N 2.84Å; N64-T66 VanDerWaalsContact O-N 3.17Å
65	D	79.1	Confident	90.3	Very high	58 Å²	58	52.4 Å²	52.4	31%	0.31	25%	0.246	S	C	.	.			trans	-79.5	100.8	-179.9	-171.9	-10.6	0	0	0	110.4	V63 K67 R68	V63-D65 VanDerWaalsContact C-N 3.31Å; V63-D65 HydrophobicContact CG1-CB 3.92Å; D65-K67 PolarHBondContact O-N 2.76Å; D65-K67 WeakPolarHBondContact OD1-CA 3.15Å; D65-K67 WeakPolarHBondContact OD1-CB 3.03Å; D65-K67 PolarHBondContact OD1-N 2.9Å; D65-R68 PolarHBondContact O-N 3.36Å; D65-R68 WeakPolarHBondContact OD2-CD 3.37Å; D65-R68 WeakPolarHBondContact OD2-CG 3.35Å; D65-R68 IonicContact OD2-NE 2.69Å
66	T	73.6	Confident	90.3	Very high	110 Å²	110	52.9 Å²	52.9	68%	0.675	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-8.2	177.8	59.4	0	0	0	0	113.5	N64 K115	N64-T66 PolarHBondContact O-N 2.84Å; N64-T66 VanDerWaalsContact O-N 3.17Å; T66-K115 WeakPolarHBondContact O-CE 3.18Å; T66-K115 PolarHBondContact O-NZ 3.42Å
67	K	71.2	Confident	90.3	Very high	183 Å²	183	55 Å²	55	80%	0.796	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-19.1	178.4	-62.2	-173.8	178.8	-177.8	0	112.6	D65	D65-K67 PolarHBondContact O-N 2.76Å; D65-K67 WeakPolarHBondContact OD1-CA 3.15Å; D65-K67 WeakPolarHBondContact OD1-CB 3.03Å; D65-K67 PolarHBondContact OD1-N 2.9Å
68	R	77.2	Confident	90.3	Very high	157 Å²	157	58.8 Å²	58.8	59%	0.592	28%	0.278	S	S	*	.	S	Bend	trans	-112.4	159.5	-175.4	-66.1	-175.7	177.5	-178.6	-1.4	111.9	Y25 D65	Y25-R68 WeakPolarHBondContact OH-CD 3.15Å; D65-R68 PolarHBondContact O-N 3.36Å; D65-R68 WeakPolarHBondContact OD2-CD 3.37Å; D65-R68 WeakPolarHBondContact OD2-CG 3.35Å; D65-R68 IonicContact OD2-NE 2.69Å
69	E	85.5	Confident	90.2	Very high	93 Å²	93	60.8 Å²	60.8	44%	0.435	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-66	148.4	169.1	-62.5	164.9	159.1	0	0	110	I112	E69-I112 HydrophobicContact CB-CB 4.1Å; E69-I112 HydrophobicContact CB-CG2 4.37Å; E69-I112 VanDerWaalsContact CD-CD1 3.46Å; E69-I112 WeakPolarHBondContact OE2-CD1 3.24Å
70	R	91.1	Very high	90.1	Very high	80 Å²	80	66 Å²	66	30%	0.302	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	142.1	-174.2	-64.3	-178.3	-78.5	171.1	-7.7	109.9	Y72 H90 I112 Q113	R70-Y72 PolarHBondContact O-N 2.81Å; R70-H90 HydrophobicContact CB-CB 4.43Å; R70-H90 VanDerWaalsContact CD-CE1 3.41Å; R70-H90 WeakPolarHBondContact CD-CE1 3.47Å; R70-H90 VanDerWaalsContact CD-NE2 3.29Å; R70-H90 WeakPolarHBondContact CD-NE2 2.85Å; R70-H90 PolarHBondContact NH1-NE2 2.98Å; R70-I112 CarbonylContact O-C 3.53Å; R70-I112 WeakPolarHBondContact O-CA 3.31Å; R70-Q113 HydrophobicContact CB-CB 4.43Å; R70-Q113 PolarHBondContact N-O 2.82Å; R70-Q113 PolarHBondContact O-N 2.04Å
71	P	93.2	Very high	90.1	Very high	3 Å²	3	68.7 Å²	68.7	2%	0.019	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	138.1	177.1	26.8	-33.4	0	0	0	110.1	Y25 V60 V63 H90	Y25-P71 HydrophobicContact CD1-CB 4.32Å; Y25-P71 HydrophobicContact CD1-CG 4.15Å; V60-P71 HydrophobicContact CG1-CB 4.03Å; V60-P71 HydrophobicContact CG1-CG 3.81Å; V63-P71 VanDerWaalsContact CG2-CD 3.48Å; V63-P71 HydrophobicContact CG2-CG 3.68Å; P71-H90 HydrophobicContact CG-CB 3.86Å; P71-H90 PolarHBondContact O-N 3.04Å; P71-H90 VanDerWaalsContact O-N 3.12Å
72	Y	95.3	Very high	90.2	Very high	42 Å²	42	70.5 Å²	70.5	17%	0.165	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	136.7	170.6	-163.8	-78.8	0	0	0	108.3	R70 Y74 L88 C111 Q113 V119	R70-Y72 PolarHBondContact O-N 2.81Å; Y72-Y74 HydrophobicContact CD1-CD2 4.39Å; Y72-Y74 HydrophobicContact CD1-CE1 4.46Å; Y72-Y74 HydrophobicContact CD1-CE2 4.09Å; Y72-Y74 AromaticContact CE1-CD1 3.94Å; Y72-Y74 HydrophobicContact CE1-CD1 3.94Å; Y72-Y74 HydrophobicContact CE1-CD2 4.3Å; Y72-Y74 AromaticContact CE1-CE1 3.51Å; Y72-Y74 HydrophobicContact CE1-CE1 3.51Å; Y72-Y74 AromaticContact CE1-CE2 3.88Å; Y72-Y74 HydrophobicContact CE1-CE2 3.88Å; Y72-Y74 HydrophobicContact CE1-CG 4.33Å; Y72-Y74 AromaticContact CE1-CZ 3.46Å; Y72-Y74 VanDerWaalsContact CE1-CZ 3.46Å; Y72-L88 WeakPolarHBondContact CA-O 3.41Å; Y72-C111 PolarHBondContact N-O 2.94Å; Y72-C111 VanDerWaalsContact N-O 3.13Å; Y72-C111 CarbonylContact O-C 3.58Å; Y72-C111 VanDerWaalsContact O-C 3.27Å; Y72-C111 VanDerWaalsContact O-CA 3.27Å; Y72-C111 WeakPolarHBondContact O-CA 3.48Å; Y72-C111 WeakPolarHBondContact O-CB 3.15Å; Y72-C111 PolarHBondContact O-N 3.49Å; Y72-Q113 HydrophobicContact CD2-CB 4.42Å; Y72-V119 HydrophobicContact CD1-CG1 3.67Å; Y72-V119 HydrophobicContact CD1-CG2 4.2Å; Y72-V119 HydrophobicContact CD2-CG2 3.81Å; Y72-V119 HydrophobicContact CE1-CG1 4.26Å; Y72-V119 HydrophobicContact CE1-CG2 4.4Å; Y72-V119 HydrophobicContact CE2-CG2 4.01Å; Y72-V119 HydrophobicContact CG-CG1 3.89Å; Y72-V119 HydrophobicContact CG-CG2 3.91Å
73	W	97	Very high	90.5	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.7	-174.9	-70.2	90.3	0	0	0	110.5	Y25 L27 V42 V60 G87 L88 I108 R110	Y25-W73 WeakPolarHBondContact O-CZ2 3.48Å; L27-W73 HydrophobicContact CB-CD2 3.6Å; L27-W73 HydrophobicContact CB-CE3 3.88Å; L27-W73 HydrophobicContact CB-CG 3.94Å; L27-W73 HydrophobicContact CB-CH2 4.34Å; L27-W73 HydrophobicContact CB-CZ2 4.13Å; L27-W73 HydrophobicContact CB-CZ3 4.23Å; L27-W73 HydrophobicContact CD1-CB 4.02Å; L27-W73 HydrophobicContact CD1-CG 4.12Å; L27-W73 HydrophobicContact CD2-CD2 4.49Å; L27-W73 HydrophobicContact CD2-CE3 4.18Å; L27-W73 HydrophobicContact CG-CD2 4.47Å; V42-W73 HydrophobicContact CB-CH2 4.49Å; V42-W73 HydrophobicContact CG1-CH2 4.05Å; V42-W73 HydrophobicContact CG1-CZ3 3.86Å; V42-W73 WeakPolarHBondContact O-CH2 3.41Å; V42-W73 VanDerWaalsContact O-CZ2 3.26Å; V42-W73 WeakPolarHBondContact O-CZ2 3.27Å; V60-W73 HydrophobicContact CG2-CB 4.26Å; V60-W73 HydrophobicContact CG2-CG 4.16Å; W73-G87 CarbonylContact O-C 3.54Å; W73-G87 VanDerWaalsContact O-CA 3.31Å; W73-G87 WeakPolarHBondContact O-CA 3.39Å; W73-L88 PolarHBondContact N-O 2.88Å; 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-R110 HydrophobicContact CD2-CB 4.44Å; W73-R110 HydrophobicContact CD2-CG 4.39Å; W73-R110 HydrophobicContact CE3-CB 3.96Å; W73-R110 HydrophobicContact CE3-CG 4.37Å; W73-R110 HydrophobicContact CH2-CB 3.72Å; W73-R110 HydrophobicContact CH2-CG 3.77Å; W73-R110 HydrophobicContact CZ2-CB 4.19Å; W73-R110 HydrophobicContact CZ2-CG 3.74Å; W73-R110 HydrophobicContact CZ3-CB 3.6Å; W73-R110 HydrophobicContact CZ3-CG 4.1Å
74	Y	97.5	Very high	91	Very high	57 Å²	57	74.1 Å²	74.1	22%	0.224	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134	167.5	-72.6	-64.2	0	0	0	110.5	Y72 F76 I85 T86 I108 K109 C111 V119	Y72-Y74 HydrophobicContact CD1-CD2 4.39Å; Y72-Y74 HydrophobicContact CD1-CE1 4.46Å; Y72-Y74 HydrophobicContact CD1-CE2 4.09Å; Y72-Y74 AromaticContact CE1-CD1 3.94Å; Y72-Y74 HydrophobicContact CE1-CD1 3.94Å; Y72-Y74 HydrophobicContact CE1-CD2 4.3Å; Y72-Y74 AromaticContact CE1-CE1 3.51Å; Y72-Y74 HydrophobicContact CE1-CE1 3.51Å; Y72-Y74 AromaticContact CE1-CE2 3.88Å; Y72-Y74 HydrophobicContact CE1-CE2 3.88Å; Y72-Y74 HydrophobicContact CE1-CG 4.33Å; Y72-Y74 AromaticContact CE1-CZ 3.46Å; Y72-Y74 VanDerWaalsContact CE1-CZ 3.46Å; Y74-F76 VanDerWaalsContact CB-CE2 3.4Å; Y74-F76 HydrophobicContact CG-CE2 4.49Å; Y74-F76 HydrophobicContact CG-CZ 4.35Å; Y74-I85 HydrophobicContact CD1-CD1 3.35Å; Y74-I85 HydrophobicContact CD1-CG1 3.58Å; Y74-I85 HydrophobicContact CD2-CD1 4.49Å; Y74-I85 HydrophobicContact CE1-CD1 3.69Å; Y74-I85 HydrophobicContact CE1-CG1 4.22Å; Y74-I85 HydrophobicContact CG-CD1 3.8Å; Y74-I85 HydrophobicContact CG-CG1 4.19Å; Y74-T86 CarbonylContact C-O 3.55Å; Y74-T86 WeakPolarHBondContact CA-O 3.4Å; Y74-I108 CarbonylContact O-C 3.27Å; Y74-I108 WeakPolarHBondContact O-CA 3.16Å; Y74-K109 PolarHBondContact N-O 3.2Å; Y74-K109 PolarHBondContact O-N 2.71Å; Y74-C111 VanDerWaalsContact CD2-SG 3.54Å; Y74-V119 HydrophobicContact CE2-CG1 3.96Å
75	L	97.7	Very high	91.7	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	141.1	173.5	-47.4	177.8	0	0	0	108.2	L27 V58 I85 T86 L88 F97 F102 I105 I108	L27-L75 HydrophobicContact CD1-CD2 4.35Å; L27-L75 HydrophobicContact CD2-CD2 3.41Å; L27-L75 VanDerWaalsContact CD2-CD2 3.41Å; V58-L75 HydrophobicContact CG1-CD1 4.07Å; V58-L75 HydrophobicContact CG2-CD1 4.33Å; L75-I85 WeakPolarHBondContact O-CA 3.21Å; L75-T86 PolarHBondContact N-O 2.71Å; L75-T86 PolarHBondContact O-N 3.48Å; L75-L88 HydrophobicContact CD1-CD1 3.65Å; L75-L88 HydrophobicContact CG-CD1 3.98Å; L75-F97 HydrophobicContact CD1-CD2 4.5Å; L75-F97 HydrophobicContact CD1-CE2 3.59Å; L75-F97 HydrophobicContact CD1-CZ 3.86Å; L75-F102 HydrophobicContact CB-CE2 4.32Å; L75-F102 HydrophobicContact CB-CZ 3.89Å; L75-F102 WeakPolarHBondContact O-CZ 3.05Å; L75-I105 HydrophobicContact CB-CD1 4.5Å; L75-I105 HydrophobicContact CB-CG1 4.34Å; L75-I105 HydrophobicContact CB-CG2 4.32Å; L75-I105 HydrophobicContact CD1-CD1 3.9Å; L75-I105 HydrophobicContact CD1-CG1 4.49Å; L75-I105 HydrophobicContact CD2-CD1 4.34Å; L75-I105 HydrophobicContact CG-CD1 4.47Å; L75-I108 HydrophobicContact CD2-CG1 4.08Å; L75-I108 HydrophobicContact CD2-CG2 4.14Å
76	F	97.7	Very high	92.6	Very high	16 Å²	16	70.6 Å²	70.6	7%	0.07	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.2	-177	-63.1	-91.7	0	0	0	110.7	Y74 N78 Y81 T82 R84 I85 I105 S106 S107 K109	Y74-F76 VanDerWaalsContact CB-CE2 3.4Å; Y74-F76 HydrophobicContact CG-CE2 4.49Å; Y74-F76 HydrophobicContact CG-CZ 4.35Å; F76-N78 PolarHBondContact O-N 2.69Å; F76-Y81 HydrophobicContact CD2-CD1 4.11Å; F76-Y81 WeakPolarHBondContact CE1-O 3.3Å; F76-Y81 HydrophobicContact CE2-CD1 4.1Å; F76-Y81 HydrophobicContact CE2-CG 4.4Å; F76-T82 WeakPolarHBondContact CB-O 3.43Å; F76-R84 VanDerWaalsContact CA-O 3.31Å; F76-R84 WeakPolarHBondContact CA-O 3.42Å; F76-I85 HydrophobicContact CD1-CB 4.32Å; F76-I85 HydrophobicContact CD1-CD1 4.48Å; F76-I85 HydrophobicContact CD1-CG1 4.18Å; F76-I85 HydrophobicContact CE1-CB 4.17Å; F76-I85 HydrophobicContact CE1-CD1 3.55Å; F76-I85 HydrophobicContact CE1-CG1 3.71Å; F76-I85 HydrophobicContact CZ-CD1 3.69Å; F76-I85 HydrophobicContact CZ-CG1 4.01Å; F76-I105 CarbonylContact O-C 3.38Å; F76-I105 WeakPolarHBondContact O-CA 3.47Å; F76-S106 PolarHBondContact O-N 3.13Å; F76-S107 WeakPolarHBondContact CB-OG 3.42Å; F76-S107 PolarHBondContact N-O 3.22Å; F76-S107 PolarHBondContact O-N 2.94Å; F76-K109 HydrophobicContact CE2-CB 3.73Å
77	D	97.9	Very high	93.7	Very high	50 Å²	50	66.9 Å²	66.9	27%	0.267	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-14.2	176.4	73.7	-12.1	0	0	0	113.3	G83 R84 F102 G104 S106	D77-G83 VanDerWaalsContact OD1-CA 3.25Å; D77-G83 WeakPolarHBondContact OD1-CA 3.37Å; D77-R84 HydrophobicContact CB-CB 4.29Å; D77-R84 PolarHBondContact N-O 3.19Å; D77-R84 PolarHBondContact OD1-N 3.08Å; D77-R84 WeakPolarHBondContact OD2-CB 3.46Å; D77-R84 WeakPolarHBondContact OD2-CD 3.43Å; D77-R84 VanDerWaalsContact OD2-CG 3.28Å; D77-R84 WeakPolarHBondContact OD2-CG 3.34Å; D77-F102 HydrophobicContact CB-CB 3.89Å; D77-F102 HydrophobicContact CB-CD1 4.28Å; D77-F102 HydrophobicContact CB-CD2 3.72Å; D77-F102 HydrophobicContact CB-CE2 4.27Å; D77-F102 HydrophobicContact CB-CG 3.71Å; D77-G104 WeakPolarHBondContact CA-O 3Å; D77-S106 WeakPolarHBondContact O-CB 3.41Å; D77-S106 PolarHBondContact O-OG 2.86Å
78	N	97.4	Very high	94.9	Very high	80 Å²	80	58.2 Å²	58.2	43%	0.428	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	162.3	176.2	-157.5	-0.8	0	0	0	112	F76 T82 S107	F76-N78 PolarHBondContact O-N 2.69Å; N78-T82 WeakPolarHBondContact CB-O 3.39Å; N78-T82 WeakPolarHBondContact CB-OG1 3.44Å; N78-T82 PolarHBondContact N-O 2.01Å; N78-S107 PolarHBondContact O-N 3.13Å; N78-S107 PolarHBondContact O-OG 3.47Å
79	V	95.3	Very high	95.8	Very high	43 Å²	43	51.2 Å²	51.2	26%	0.261	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-67.9	166.5	179.2	-60.4	0	0	0	0	111.2	S48 Y81 T82	S48-V79 WeakPolarHBondContact OG-CG1 3.17Å; V79-Y81 PolarHBondContact O-N 3.28Å; V79-T82 PolarHBondContact O-N 2.92Å; V79-T82 PolarHBondContact O-OG1 3.34Å
80	N	95.8	Very high	96.2	Very high	113 Å²	113	48 Å²	48	60%	0.604	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	55.4	31.2	177.6	-59.2	-51.9	0	0	0	114.6	G47	G47-N80 PolarHBondContact O-N 2.79Å
81	Y	96	Very high	96.3	Very high	58 Å²	58	46.2 Å²	46.2	23%	0.227	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	63.7	45.8	176.3	-37.3	-62.6	0	0	0	112.8	S45 V46 G47 F76 V79 S107 I108 K109	S45-Y81 WeakPolarHBondContact CB-OH 3.21Å; V46-Y81 WeakPolarHBondContact O-CE1 3.25Å; G47-Y81 PolarHBondContact N-OH 3.5Å; F76-Y81 HydrophobicContact CD2-CD1 4.11Å; F76-Y81 WeakPolarHBondContact CE1-O 3.3Å; F76-Y81 HydrophobicContact CE2-CD1 4.1Å; F76-Y81 HydrophobicContact CE2-CG 4.4Å; V79-Y81 PolarHBondContact O-N 3.28Å; Y81-S107 VanDerWaalsContact CA-OG 3.29Å; Y81-S107 WeakPolarHBondContact CA-OG 3.2Å; Y81-S107 PolarHBondContact N-OG 3.43Å; Y81-I108 VanDerWaalsContact CE1-O 3.25Å; Y81-I108 WeakPolarHBondContact CE1-O 3.33Å; Y81-K109 HydrophobicContact CD1-CB 3.69Å; Y81-K109 HydrophobicContact CD1-CD 4.36Å; Y81-K109 HydrophobicContact CD1-CG 4.13Å; Y81-K109 HydrophobicContact CD2-CD 4.41Å; Y81-K109 HydrophobicContact CE1-CB 3.97Å; Y81-K109 HydrophobicContact CE1-CG 4.25Å; Y81-K109 HydrophobicContact CG-CB 4.27Å; Y81-K109 HydrophobicContact CG-CD 4.12Å; Y81-K109 HydrophobicContact CG-CG 4.36Å
82	T	96.4	Very high	96.4	Very high	64 Å²	64	49.1 Å²	49.1	39%	0.393	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	169.8	-177.8	62.7	0	0	0	0	111.8	F76 N78 V79	F76-T82 WeakPolarHBondContact CB-O 3.43Å; N78-T82 WeakPolarHBondContact CB-O 3.39Å; N78-T82 WeakPolarHBondContact CB-OG1 3.44Å; N78-T82 PolarHBondContact N-O 2.01Å; V79-T82 PolarHBondContact O-N 2.92Å; V79-T82 PolarHBondContact O-OG1 3.34Å
83	G	96.9	Very high	96.5	Very high	58 Å²	58	49.7 Å²	49.7	60%	0.598	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	86.1	-149.9	177.5	0	0	0	0	0	113.2	D77	D77-G83 VanDerWaalsContact OD1-CA 3.25Å; D77-G83 WeakPolarHBondContact OD1-CA 3.37Å
84	R	97.9	Very high	96.6	Very high	161 Å²	161	51.6 Å²	51.6	61%	0.608	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	146.3	175.9	-63.9	-179.5	177.3	-164.1	-0.9	109.7	F76 D77 G101 F102	F76-R84 VanDerWaalsContact CA-O 3.31Å; F76-R84 WeakPolarHBondContact CA-O 3.42Å; D77-R84 HydrophobicContact CB-CB 4.29Å; D77-R84 PolarHBondContact N-O 3.19Å; D77-R84 PolarHBondContact OD1-N 3.08Å; D77-R84 WeakPolarHBondContact OD2-CB 3.46Å; D77-R84 WeakPolarHBondContact OD2-CD 3.43Å; D77-R84 VanDerWaalsContact OD2-CG 3.28Å; D77-R84 WeakPolarHBondContact OD2-CG 3.34Å; R84-G101 WeakPolarHBondContact CD-O 3.38Å; R84-G101 PolarHBondContact NH1-O 2.79Å; R84-F102 HydrophobicContact CB-CD1 3.66Å; R84-F102 HydrophobicContact CB-CE1 4.14Å; R84-F102 HydrophobicContact CB-CG 4.42Å
85	I	97	Very high	96.6	Very high	90 Å²	90	52.2 Å²	52.2	46%	0.462	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139	-173.3	-167.8	173.9	0	0	0	111.1	Y74 L75 F76	Y74-I85 HydrophobicContact CD1-CD1 3.35Å; Y74-I85 HydrophobicContact CD1-CG1 3.58Å; Y74-I85 HydrophobicContact CD2-CD1 4.49Å; Y74-I85 HydrophobicContact CE1-CD1 3.69Å; Y74-I85 HydrophobicContact CE1-CG1 4.22Å; Y74-I85 HydrophobicContact CG-CD1 3.8Å; Y74-I85 HydrophobicContact CG-CG1 4.19Å; L75-I85 WeakPolarHBondContact O-CA 3.21Å; F76-I85 HydrophobicContact CD1-CB 4.32Å; F76-I85 HydrophobicContact CD1-CD1 4.48Å; F76-I85 HydrophobicContact CD1-CG1 4.18Å; F76-I85 HydrophobicContact CE1-CB 4.17Å; F76-I85 HydrophobicContact CE1-CD1 3.55Å; F76-I85 HydrophobicContact CE1-CG1 3.71Å; F76-I85 HydrophobicContact CZ-CD1 3.69Å; F76-I85 HydrophobicContact CZ-CG1 4.01Å
86	T	97.5	Very high	96.6	Very high	24 Å²	24	53.5 Å²	53.5	15%	0.147	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127	168.1	-63.8	0	0	0	0	108.6	Y74 L75 L88 I94 F97 F102	Y74-T86 CarbonylContact C-O 3.55Å; Y74-T86 WeakPolarHBondContact CA-O 3.4Å; L75-T86 PolarHBondContact N-O 2.71Å; L75-T86 PolarHBondContact O-N 3.48Å; T86-L88 HydrophobicContact CG2-CD1 4Å; T86-I94 HydrophobicContact CG2-CD1 3.47Å; T86-I94 VanDerWaalsContact CG2-CD1 3.47Å; T86-F97 HydrophobicContact CG2-CE2 4.38Å; T86-F102 WeakPolarHBondContact OG1-CE1 3.4Å
87	G	96.4	Very high	96.6	Very high	32 Å²	32	52.7 Å²	52.7	33%	0.33	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	136.4	178.5	0	0	0	0	0	111.4	W73	W73-G87 CarbonylContact O-C 3.54Å; W73-G87 VanDerWaalsContact O-CA 3.31Å; W73-G87 WeakPolarHBondContact O-CA 3.39Å
88	L	97.1	Very high	96.3	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.9	174.5	-61.6	93	0	0	0	109.7	V58 V60 Y72 W73 L75 T86 I94	V58-L88 HydrophobicContact CB-CD2 4.28Å; V58-L88 HydrophobicContact CG1-CD1 4.45Å; V58-L88 HydrophobicContact CG1-CD2 3.99Å; V60-L88 HydrophobicContact CG2-CB 3.65Å; Y72-L88 WeakPolarHBondContact CA-O 3.41Å; W73-L88 PolarHBondContact N-O 2.88Å; W73-L88 PolarHBondContact O-N 2.82Å; L75-L88 HydrophobicContact CD1-CD1 3.65Å; L75-L88 HydrophobicContact CG-CD1 3.98Å; T86-L88 HydrophobicContact CG2-CD1 4Å; L88-I94 HydrophobicContact CD1-CD1 4.1Å; L88-I94 HydrophobicContact CD2-CD1 3.84Å; L88-I94 HydrophobicContact CD2-CG1 3.85Å; L88-I94 HydrophobicContact CG-CD1 3.99Å; L88-I94 HydrophobicContact CG-CG1 4.41Å
89	G	94.7	Very high	96.2	Very high	10 Å²	10	57.2 Å²	57.2	10%	0.103	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	169.1	169.4	0	0	0	0	0	111.6	V60 T92	V60-G89 WeakPolarHBondContact CB-O 3.39Å; G89-T92 WeakPolarHBondContact O-CB 3.42Å; G89-T92 PolarHBondContact O-N 3.02Å; G89-T92 VanDerWaalsContact O-N 3.14Å; G89-T92 PolarHBondContact O-OG1 3.39Å
90	H	93.8	Very high	95.9	Very high	26 Å²	26	56.7 Å²	56.7	12%	0.12	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	141.7	172.8	81.7	127.1	0	0	0	112.8	F62 V63 R70 P71 T92	F62-H90 AromaticContact CD2-CE1 3.76Å; F62-H90 AromaticContact CD2-ND1 3.65Å; F62-H90 AromaticContact CE2-CE1 3.39Å; F62-H90 WeakPolarHBondContact CE2-CE1 3.33Å; F62-H90 AromaticContact CE2-ND1 3.75Å; V63-H90 HydrophobicContact CB-CB 4.47Å; V63-H90 PolarHBondContact N-ND1 2.82Å; V63-H90 PolarHBondContact O-ND1 3.13Å; V63-H90 VanDerWaalsContact O-ND1 3.14Å; R70-H90 HydrophobicContact CB-CB 4.43Å; R70-H90 VanDerWaalsContact CD-CE1 3.41Å; R70-H90 WeakPolarHBondContact CD-CE1 3.47Å; R70-H90 VanDerWaalsContact CD-NE2 3.29Å; R70-H90 WeakPolarHBondContact CD-NE2 2.85Å; R70-H90 PolarHBondContact NH1-NE2 2.98Å; P71-H90 HydrophobicContact CG-CB 3.86Å; P71-H90 PolarHBondContact O-N 3.04Å; P71-H90 VanDerWaalsContact O-N 3.12Å; H90-T92 PolarHBondContact O-N 3.41Å; H90-T92 VanDerWaalsContact O-N 3.16Å
91	G	93.7	Very high	95.6	Very high	42 Å²	42	53.6 Å²	53.6	43%	0.433	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	4.3	-179	0	0	0	0	0	115.2	V60 P61	V60-G91 VanDerWaalsContact O-CA 3.31Å; V60-G91 WeakPolarHBondContact O-CA 3.2Å; V60-G91 PolarHBondContact O-N 2.88Å; P61-G91 PolarHBondContact O-N 2.96Å
92	T	96.2	Very high	95.6	Very high	65 Å²	65	51.6 Å²	51.6	40%	0.399	31%	0.312	S	S	.	.			trans	-94.9	135.8	176.6	-52.7	0	0	0	0	110	C59 V60 G89 H90	C59-T92 WeakPolarHBondContact CA-O 2.97Å; V60-T92 PolarHBondContact N-O 2.82Å; G89-T92 WeakPolarHBondContact O-CB 3.42Å; G89-T92 PolarHBondContact O-N 3.02Å; G89-T92 VanDerWaalsContact O-N 3.14Å; G89-T92 PolarHBondContact O-OG1 3.39Å; H90-T92 PolarHBondContact O-N 3.41Å; H90-T92 VanDerWaalsContact O-N 3.16Å
93	C	97.2	Very high	95.6	Very high	54 Å²	54	55 Å²	55	37%	0.365	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	151.8	170.4	-69.4	0	0	0	0	110.4	E35 V58 C59	E35-C93 WeakPolarHBondContact OE1-CB 3.21Å; V58-C93 CarbonylContact O-C 3.5Å; V58-C93 VanDerWaalsContact O-CA 3.3Å; V58-C93 WeakPolarHBondContact O-CA 3.43Å; C59-C93 HydrophobicContact CB-CB 4.19Å; C59-C93 WeakPolarHBondContact CB-SG 3.34Å; C59-C93 WeakPolarHBondContact SG-CB 3.47Å; C59-C93 CovalentContact SG-SG 2.04Å; C59-C93 PolarHBondContact SG-SG 2.81Å
94	I	97.9	Very high	95.5	Very high	39 Å²	39	53 Å²	53	20%	0.2	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	99	166.8	-60.1	173.5	0	0	0	106.2	S57 V58 T86 L88 D96 F97	S57-I94 WeakPolarHBondContact CA-O 3.39Å; S57-I94 WeakPolarHBondContact CB-O 3.44Å; V58-I94 PolarHBondContact N-O 2.88Å; V58-I94 VanDerWaalsContact N-O 3.17Å; V58-I94 PolarHBondContact O-N 2.7Å; T86-I94 HydrophobicContact CG2-CD1 3.47Å; T86-I94 VanDerWaalsContact CG2-CD1 3.47Å; L88-I94 HydrophobicContact CD1-CD1 4.1Å; L88-I94 HydrophobicContact CD2-CD1 3.84Å; L88-I94 HydrophobicContact CD2-CG1 3.85Å; L88-I94 HydrophobicContact CG-CD1 3.99Å; L88-I94 HydrophobicContact CG-CG1 4.41Å; I94-D96 PolarHBondContact O-N 3.45Å; I94-F97 HydrophobicContact CB-CD2 4.48Å; I94-F97 HydrophobicContact CD1-CD2 4.12Å; I94-F97 HydrophobicContact CD1-CE2 4.34Å; I94-F97 HydrophobicContact CG2-CB 4.35Å; I94-F97 HydrophobicContact CG2-CD2 4.2Å
95	D	97.6	Very high	95.5	Very high	71 Å²	71	45.4 Å²	45.4	38%	0.38	27%	0.272	S	S	.	.	S	Bend	trans	-60.9	-31.4	-173.9	-55.9	3.6	0	0	0	113.3	T33 Y34 S57	T33-D95 CarbonylContact C-O 3.44Å; T33-D95 WeakPolarHBondContact CA-O 3.01Å; T33-D95 WeakPolarHBondContact CB-O 3.08Å; Y34-D95 HydrophobicContact CD1-CB 3.51Å; Y34-D95 HydrophobicContact CE1-CB 3.58Å; Y34-D95 HydrophobicContact CG-CB 4.17Å; Y34-D95 PolarHBondContact N-O 2.85Å; S57-D95 WeakPolarHBondContact CB-O 3.4Å
96	D	97.5	Very high	95.5	Very high	26 Å²	26	41.6 Å²	41.6	14%	0.139	25%	0.254	C	S	.	.			trans	-134.3	86.3	176.1	-171.4	-15.4	0	0	0	109.8	T33 I94 T98 K99	T33-D96 HydrophobicContact CG2-CB 4.12Å; I94-D96 PolarHBondContact O-N 3.45Å; D96-T98 PolarHBondContact O-N 3.29Å; D96-T98 WeakPolarHBondContact OD1-CB 3.45Å; D96-T98 PolarHBondContact OD1-N 2.84Å; D96-T98 VanDerWaalsContact OD1-N 3.16Å; D96-T98 PolarHBondContact OD1-OG1 2.75Å; D96-K99 PolarHBondContact O-N 3.45Å; D96-K99 PolarHBondContact OD1-N 3.17Å; D96-K99 WeakPolarHBondContact OD2-CD 3.44Å; D96-K99 WeakPolarHBondContact OD2-CE 3.31Å; D96-K99 WeakPolarHBondContact OD2-CG 3.42Å; D96-K99 IonicContact OD2-NZ 2.73Å; D96-K99 PolarHBondContact OD2-NZ 2.61Å
97	F	97.4	Very high	95.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-65.3	-24.8	179.6	-168.3	-100.1	0	0	0	111.9	P55 G56 V58 L75 T86 I94 K99 S100 F102 I105	P55-F97 HydrophobicContact CG-CB 4.41Å; P55-F97 HydrophobicContact CG-CD1 3.63Å; P55-F97 HydrophobicContact CG-CE1 4.13Å; P55-F97 HydrophobicContact CG-CG 4.06Å; G56-F97 PolarHBondContact O-N 3.16Å; V58-F97 HydrophobicContact CB-CD2 4.4Å; V58-F97 HydrophobicContact CG2-CB 4.23Å; V58-F97 HydrophobicContact CG2-CD2 3.76Å; V58-F97 HydrophobicContact CG2-CE2 4.28Å; V58-F97 HydrophobicContact CG2-CG 3.92Å; L75-F97 HydrophobicContact CD1-CD2 4.5Å; L75-F97 HydrophobicContact CD1-CE2 3.59Å; L75-F97 HydrophobicContact CD1-CZ 3.86Å; T86-F97 HydrophobicContact CG2-CE2 4.38Å; I94-F97 HydrophobicContact CB-CD2 4.48Å; I94-F97 HydrophobicContact CD1-CD2 4.12Å; I94-F97 HydrophobicContact CD1-CE2 4.34Å; I94-F97 HydrophobicContact CG2-CB 4.35Å; I94-F97 HydrophobicContact CG2-CD2 4.2Å; F97-K99 PolarHBondContact O-N 3.12Å; F97-S100 WeakPolarHBondContact O-CB 3.28Å; F97-S100 PolarHBondContact O-N 2.85Å; F97-S100 PolarHBondContact O-OG 2.85Å; F97-F102 HydrophobicContact CE1-CD2 4.21Å; F97-F102 HydrophobicContact CE1-CE2 4.13Å; F97-F102 WeakPolarHBondContact CE1-O 3.15Å; F97-F102 HydrophobicContact CZ-CD2 4.04Å; F97-F102 AromaticContact CZ-CE2 3.6Å; F97-F102 HydrophobicContact CZ-CE2 3.6Å; F97-F102 AromaticContact CZ-CZ 3.98Å; F97-F102 HydrophobicContact CZ-CZ 3.98Å; F97-I105 HydrophobicContact CE1-CD1 3.97Å; F97-I105 HydrophobicContact CE1-CG1 3.8Å; F97-I105 HydrophobicContact CZ-CD1 4.01Å; F97-I105 HydrophobicContact CZ-CG1 3.87Å
98	T	93.5	Very high	95.5	Very high	58 Å²	58	39 Å²	39	36%	0.356	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-68.3	-21.6	179.5	81	0	0	0	0	112.9	D96 K103	D96-T98 PolarHBondContact O-N 3.29Å; D96-T98 WeakPolarHBondContact OD1-CB 3.45Å; D96-T98 PolarHBondContact OD1-N 2.84Å; D96-T98 VanDerWaalsContact OD1-N 3.16Å; D96-T98 PolarHBondContact OD1-OG1 2.75Å; T98-K103 WeakPolarHBondContact O-CE 3.22Å
99	K	93.6	Very high	95.5	Very high	166 Å²	166	40.9 Å²	40.9	72%	0.722	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-95.8	3.1	172.5	-66.9	-178.3	-172.5	134.1	0	113.3	D96 F97	D96-K99 PolarHBondContact O-N 3.45Å; D96-K99 PolarHBondContact OD1-N 3.17Å; D96-K99 WeakPolarHBondContact OD2-CD 3.44Å; D96-K99 WeakPolarHBondContact OD2-CE 3.31Å; D96-K99 WeakPolarHBondContact OD2-CG 3.42Å; D96-K99 IonicContact OD2-NZ 2.73Å; D96-K99 PolarHBondContact OD2-NZ 2.61Å; F97-K99 PolarHBondContact O-N 3.12Å
100	S	89.2	Confident	95.5	Very high	33 Å²	33	43.8 Å²	43.8	23%	0.231	25%	0.248	C	C	.	.	S	Bend	trans	-73	-179	172.2	87.4	0	0	0	0	111.1	F97 F102	F97-S100 WeakPolarHBondContact O-CB 3.28Å; F97-S100 PolarHBondContact O-N 2.85Å; F97-S100 PolarHBondContact O-OG 2.85Å; S100-F102 PolarHBondContact O-N 2.97Å; S100-F102 PolarHBondContact OG-N 3.49Å; S100-F102 PolarHBondContact OG-O 3.26Å
101	G	90	Very high	95.6	Very high	47 Å²	47	42.6 Å²	42.6	49%	0.485	24%	0.242	S	C	.	.	S	Bend	trans	-59.5	-15.8	179.8	0	0	0	0	0	114.9	R84	R84-G101 WeakPolarHBondContact CD-O 3.38Å; R84-G101 PolarHBondContact NH1-O 2.79Å
102	F	96.5	Very high	95.5	Very high	16 Å²	16	42 Å²	42	7%	0.07	23%	0.229	C	C	.	.			trans	-158.7	159.8	173.8	57.1	-86.6	0	0	0	110.8	L75 D77 R84 T86 F97 S100 G104 I105	L75-F102 HydrophobicContact CB-CE2 4.32Å; L75-F102 HydrophobicContact CB-CZ 3.89Å; L75-F102 WeakPolarHBondContact O-CZ 3.05Å; D77-F102 HydrophobicContact CB-CB 3.89Å; D77-F102 HydrophobicContact CB-CD1 4.28Å; D77-F102 HydrophobicContact CB-CD2 3.72Å; D77-F102 HydrophobicContact CB-CE2 4.27Å; D77-F102 HydrophobicContact CB-CG 3.71Å; R84-F102 HydrophobicContact CB-CD1 3.66Å; R84-F102 HydrophobicContact CB-CE1 4.14Å; R84-F102 HydrophobicContact CB-CG 4.42Å; T86-F102 WeakPolarHBondContact OG1-CE1 3.4Å; F97-F102 HydrophobicContact CE1-CD2 4.21Å; F97-F102 HydrophobicContact CE1-CE2 4.13Å; F97-F102 WeakPolarHBondContact CE1-O 3.15Å; F97-F102 HydrophobicContact CZ-CD2 4.04Å; F97-F102 AromaticContact CZ-CE2 3.6Å; F97-F102 HydrophobicContact CZ-CE2 3.6Å; F97-F102 AromaticContact CZ-CZ 3.98Å; F97-F102 HydrophobicContact CZ-CZ 3.98Å; S100-F102 PolarHBondContact O-N 2.97Å; S100-F102 PolarHBondContact OG-N 3.49Å; S100-F102 PolarHBondContact OG-O 3.26Å; F102-G104 VanDerWaalsContact CD2-O 3.27Å; F102-G104 WeakPolarHBondContact CD2-O 3.05Å; F102-I105 HydrophobicContact CE2-CG1 4.03Å
103	K	95.4	Very high	95.3	Very high	135 Å²	135	40.7 Å²	40.7	59%	0.587	22%	0.218	S	C	*	.	S	Bend	trans	-103.3	-26.5	-175.8	-56.9	-172.9	-179.1	-175.5	0	114.2	T54 T98	T54-K103 WeakPolarHBondContact CA-O 3.2Å; T98-K103 WeakPolarHBondContact O-CE 3.22Å
104	G	96.1	Very high	94.9	Very high	18 Å²	18	39 Å²	39	19%	0.186	21%	0.206	C	C	.	.			trans	-113.7	128.6	-174.7	0	0	0	0	0	111.6	W53 D77 F102	W53-G104 CarbonylContact O-C 3.54Å; W53-G104 WeakPolarHBondContact O-CA 3.39Å; D77-G104 WeakPolarHBondContact CA-O 3Å; F102-G104 VanDerWaalsContact CD2-O 3.27Å; F102-G104 WeakPolarHBondContact CD2-O 3.05Å
105	I	97.8	Very high	94.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-98.2	115.8	178.9	-57.1	164.3	0	0	0	108.1	L29 L49 P52 W53 P55 L75 F76 F97 F102 S107 I108	L29-I105 HydrophobicContact CD2-CD1 3.55Å; L49-I105 HydrophobicContact CD1-CG2 4.2Å; L49-I105 WeakPolarHBondContact CD1-O 3.26Å; P52-I105 CarbonylContact C-O 3.56Å; P52-I105 VanDerWaalsContact CA-O 3.27Å; P52-I105 WeakPolarHBondContact CA-O 3.08Å; W53-I105 PolarHBondContact N-O 3.24Å; W53-I105 PolarHBondContact O-N 3.34Å; P55-I105 HydrophobicContact CG-CD1 3.7Å; L75-I105 HydrophobicContact CB-CD1 4.5Å; L75-I105 HydrophobicContact CB-CG1 4.34Å; L75-I105 HydrophobicContact CB-CG2 4.32Å; L75-I105 HydrophobicContact CD1-CD1 3.9Å; L75-I105 HydrophobicContact CD1-CG1 4.49Å; L75-I105 HydrophobicContact CD2-CD1 4.34Å; L75-I105 HydrophobicContact CG-CD1 4.47Å; F76-I105 CarbonylContact O-C 3.38Å; F76-I105 WeakPolarHBondContact O-CA 3.47Å; F97-I105 HydrophobicContact CE1-CD1 3.97Å; F97-I105 HydrophobicContact CE1-CG1 3.8Å; F97-I105 HydrophobicContact CZ-CD1 4.01Å; F97-I105 HydrophobicContact CZ-CG1 3.87Å; F102-I105 HydrophobicContact CE2-CG1 4.03Å; I105-S107 WeakPolarHBondContact CG2-O 3.16Å; I105-I108 HydrophobicContact CG2-CD1 4.1Å; I105-I108 HydrophobicContact CG2-CG1 3.51Å
106	S	97.4	Very high	93.9	Very high	11 Å²	11	48.1 Å²	48.1	8%	0.077	25%	0.248	C	C	.	.	S	Bend	trans	-103	-16.7	179.5	-60.2	0	0	0	0	112.8	S48 L49 P52 F76 D77	S48-S106 CarbonylContact C-O 3.57Å; S48-S106 WeakPolarHBondContact CA-O 3.41Å; L49-S106 PolarHBondContact N-O 3.03Å; P52-S106 WeakPolarHBondContact CG-OG 2.76Å; F76-S106 PolarHBondContact O-N 3.13Å; D77-S106 WeakPolarHBondContact O-CB 3.41Å; D77-S106 PolarHBondContact O-OG 2.86Å
107	S	97	Very high	93.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	155.6	166.3	61.7	0	0	0	0	112.3	V46 F76 N78 Y81 I105	V46-S107 CarbonylContact O-C 3.35Å; V46-S107 VanDerWaalsContact O-CA 3.26Å; V46-S107 WeakPolarHBondContact O-CA 3.31Å; V46-S107 WeakPolarHBondContact O-CB 3.26Å; F76-S107 WeakPolarHBondContact CB-OG 3.42Å; F76-S107 PolarHBondContact N-O 3.22Å; F76-S107 PolarHBondContact O-N 2.94Å; N78-S107 PolarHBondContact O-N 3.13Å; N78-S107 PolarHBondContact O-OG 3.47Å; Y81-S107 VanDerWaalsContact CA-OG 3.29Å; Y81-S107 WeakPolarHBondContact CA-OG 3.2Å; Y81-S107 PolarHBondContact N-OG 3.43Å; I105-S107 WeakPolarHBondContact CG2-O 3.16Å
108	I	96.8	Very high	93.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	123.1	-174.5	-61.3	172.7	0	0	0	108.3	L27 L29 V42 S45 V46 L49 W53 W73 Y74 L75 Y81 I105	L27-I108 HydrophobicContact CD2-CD1 4.09Å; L27-I108 HydrophobicContact CD2-CG2 3.74Å; L29-I108 HydrophobicContact CD2-CD1 4.44Å; V42-I108 HydrophobicContact CG1-CD1 4.33Å; V42-I108 HydrophobicContact CG1-CG2 4.26Å; V42-I108 HydrophobicContact CG2-CD1 4.14Å; S45-I108 CarbonylContact C-O 3.6Å; S45-I108 WeakPolarHBondContact CA-O 3.36Å; S45-I108 VanDerWaalsContact CB-O 3.26Å; S45-I108 WeakPolarHBondContact CB-O 3.48Å; V46-I108 HydrophobicContact CB-CB 4.47Å; V46-I108 PolarHBondContact N-O 3.49Å; V46-I108 PolarHBondContact O-N 3.45Å; L49-I108 HydrophobicContact CD1-CD1 4.02Å; L49-I108 HydrophobicContact CD1-CG1 4.27Å; W53-I108 HydrophobicContact CE3-CD1 4.37Å; W53-I108 HydrophobicContact CZ3-CD1 4.42Å; 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 3.27Å; Y74-I108 WeakPolarHBondContact O-CA 3.16Å; L75-I108 HydrophobicContact CD2-CG1 4.08Å; L75-I108 HydrophobicContact CD2-CG2 4.14Å; Y81-I108 VanDerWaalsContact CE1-O 3.25Å; Y81-I108 WeakPolarHBondContact CE1-O 3.33Å; I105-I108 HydrophobicContact CG2-CD1 4.1Å; I105-I108 HydrophobicContact CG2-CG1 3.51Å
109	K	95.8	Very high	93.1	Very high	41 Å²	41	53.8 Å²	53.8	18%	0.178	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.2	176.8	-158.6	176.4	-167.5	-176.6	0	110.5	Y74 F76 Y81 C121	Y74-K109 PolarHBondContact N-O 3.2Å; Y74-K109 PolarHBondContact O-N 2.71Å; F76-K109 HydrophobicContact CE2-CB 3.73Å; Y81-K109 HydrophobicContact CD1-CB 3.69Å; Y81-K109 HydrophobicContact CD1-CD 4.36Å; Y81-K109 HydrophobicContact CD1-CG 4.13Å; Y81-K109 HydrophobicContact CD2-CD 4.41Å; Y81-K109 HydrophobicContact CE1-CB 3.97Å; Y81-K109 HydrophobicContact CE1-CG 4.25Å; Y81-K109 HydrophobicContact CG-CB 4.27Å; Y81-K109 HydrophobicContact CG-CD 4.12Å; Y81-K109 HydrophobicContact CG-CG 4.36Å; K109-C121 HydrophobicContact CD-CB 3.96Å; K109-C121 HydrophobicContact CG-CB 4.42Å
110	R	95	Very high	93	Very high	72 Å²	72	49.5 Å²	49.5	27%	0.272	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130.4	169.4	-172.5	175.6	171.4	-167.1	-6.7	110	Y43 S45 W73 I122	Y43-R110 WeakPolarHBondContact O-CD 3.35Å; Y43-R110 PolarHBondContact O-NH1 2.04Å; S45-R110 PolarHBondContact OG-N 3.27Å; W73-R110 HydrophobicContact CD2-CB 4.44Å; W73-R110 HydrophobicContact CD2-CG 4.39Å; W73-R110 HydrophobicContact CE3-CB 3.96Å; W73-R110 HydrophobicContact CE3-CG 4.37Å; W73-R110 HydrophobicContact CH2-CB 3.72Å; W73-R110 HydrophobicContact CH2-CG 3.77Å; W73-R110 HydrophobicContact CZ2-CB 4.19Å; W73-R110 HydrophobicContact CZ2-CG 3.74Å; W73-R110 HydrophobicContact CZ3-CB 3.6Å; W73-R110 HydrophobicContact CZ3-CG 4.1Å; R110-I122 PolarHBondContact O-N 2.85Å
111	C	95.4	Very high	93.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	177.1	175.9	-48.8	0	0	0	0	109.3	Y72 Y74 V119 E120 C121	Y72-C111 PolarHBondContact N-O 2.94Å; Y72-C111 VanDerWaalsContact N-O 3.13Å; Y72-C111 CarbonylContact O-C 3.58Å; Y72-C111 VanDerWaalsContact O-C 3.27Å; Y72-C111 VanDerWaalsContact O-CA 3.27Å; Y72-C111 WeakPolarHBondContact O-CA 3.48Å; Y72-C111 WeakPolarHBondContact O-CB 3.15Å; Y72-C111 PolarHBondContact O-N 3.49Å; Y74-C111 VanDerWaalsContact CD2-SG 3.54Å; C111-V119 HydrophobicContact CB-CG1 3.75Å; C111-E120 CarbonylContact C-O 3.3Å; C111-E120 WeakPolarHBondContact CA-O 3.47Å; C111-E120 WeakPolarHBondContact CB-O 2.91Å; C111-C121 HydrophobicContact CB-CB 3.93Å; C111-C121 WeakPolarHBondContact CB-SG 3.39Å; C111-C121 VanDerWaalsContact SG-CA 3.51Å; C111-C121 WeakPolarHBondContact SG-CB 3.4Å; C111-C121 CovalentContact SG-SG 2.04Å; C111-C121 PolarHBondContact SG-SG 3.26Å
112	I	92.5	Very high	92.6	Very high	31 Å²	31	51.5 Å²	51.5	16%	0.159	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144	175.3	47.8	164.4	0	0	0	107.7	E69 R70 V119 E120	E69-I112 HydrophobicContact CB-CB 4.1Å; E69-I112 HydrophobicContact CB-CG2 4.37Å; E69-I112 VanDerWaalsContact CD-CD1 3.46Å; E69-I112 WeakPolarHBondContact OE2-CD1 3.24Å; R70-I112 CarbonylContact O-C 3.53Å; R70-I112 WeakPolarHBondContact O-CA 3.31Å; I112-V119 CarbonylContact O-C 3.51Å; I112-V119 VanDerWaalsContact O-CA 3.28Å; I112-V119 WeakPolarHBondContact O-CA 3.3Å; I112-E120 HydrophobicContact CD1-CB 4.13Å; I112-E120 HydrophobicContact CG1-CB 3.96Å; I112-E120 WeakPolarHBondContact CG1-O 3.29Å; I112-E120 PolarHBondContact N-O 2.79Å; I112-E120 PolarHBondContact O-N 2.78Å
113	Q	91.1	Very high	91.1	Very high	37 Å²	37	56.8 Å²	56.8	17%	0.173	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	116	168.8	-170.3	178.4	38.7	0	0	108.2	R70 Y72 G117 K118 V119	R70-Q113 HydrophobicContact CB-CB 4.43Å; R70-Q113 PolarHBondContact N-O 2.82Å; R70-Q113 PolarHBondContact O-N 2.04Å; Y72-Q113 HydrophobicContact CD2-CB 4.42Å; Q113-G117 PolarHBondContact NE2-O 2.86Å; Q113-K118 WeakPolarHBondContact CA-O 3.43Å; Q113-V119 HydrophobicContact CB-CG2 4.35Å; Q113-V119 HydrophobicContact CG-CG2 4.17Å
114	T	89.5	Confident	89.4	Confident	19 Å²	19	54 Å²	54	12%	0.117	28%	0.28	C	S	.	.			trans	-65.7	166.5	175	62	0	0	0	0	110.8	D116 G117 K118 E120	T114-D116 PolarHBondContact O-N 3.37Å; T114-G117 PolarHBondContact O-N 3.3Å; T114-K118 PolarHBondContact N-O 3.14Å; T114-K118 WeakPolarHBondContact OG1-CB 3.09Å; T114-K118 PolarHBondContact OG1-N 3.47Å; T114-K118 PolarHBondContact OG1-O 3.16Å; T114-E120 HydrophobicContact CG2-CG 4.39Å
115	K	86.3	Confident	86.9	Confident	141 Å²	141	58.7 Å²	58.7	61%	0.613	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-32.6	177.4	-67	-175.5	177.2	-171	0	112.6	T66 G117	T66-K115 WeakPolarHBondContact O-CE 3.18Å; T66-K115 PolarHBondContact O-NZ 3.42Å; K115-G117 PolarHBondContact O-N 3.36Å
116	D	87.8	Confident	84.4	Confident	159 Å²	159	68.3 Å²	68.3	85%	0.85	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	3.2	178.3	-52.7	-30.1	0	0	0	112.7	T114 K118	T114-D116 PolarHBondContact O-N 3.37Å; D116-K118 VanDerWaalsContact C-N 3.31Å; D116-K118 PolarHBondContact O-N 2.98Å
117	G	86.7	Confident	81.7	Confident	34 Å²	34	79 Å²	79	35%	0.351	39%	0.387	S	S	.	.	S	Bend	trans	86.9	-8.2	176.7	0	0	0	0	0	114.7	Q113 T114 K115	Q113-G117 PolarHBondContact NE2-O 2.86Å; T114-G117 PolarHBondContact O-N 3.3Å; K115-G117 PolarHBondContact O-N 3.36Å
118	K	92	Very high	78.6	Confident	128 Å²	128	90 Å²	90	56%	0.557	43%	0.428	S	S	*	.			trans	-65.8	132.5	175.6	-175.4	-173.1	179	-162.5	0	110.6	Q113 T114 D116 E120	Q113-K118 WeakPolarHBondContact CA-O 3.43Å; T114-K118 PolarHBondContact N-O 3.14Å; T114-K118 WeakPolarHBondContact OG1-CB 3.09Å; T114-K118 PolarHBondContact OG1-N 3.47Å; T114-K118 PolarHBondContact OG1-O 3.16Å; D116-K118 VanDerWaalsContact C-N 3.31Å; D116-K118 PolarHBondContact O-N 2.98Å; K118-E120 HydrophobicContact CD-CG 4.12Å; K118-E120 WeakPolarHBondContact CD-OE1 3.41Å; K118-E120 VanDerWaalsContact CE-OE1 3.24Å; K118-E120 WeakPolarHBondContact CE-OE1 3.22Å; K118-E120 HydrophobicContact CG-CG 4.21Å; K118-E120 IonicContact NZ-OE1 2.71Å; K118-E120 PolarHBondContact NZ-OE1 2.79Å
119	V	93.5	Very high	75.6	Confident	41 Å²	41	99.7 Å²	99.7	25%	0.248	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.3	173.9	179	0	0	0	0	109.5	Y72 Y74 C111 I112 Q113	Y72-V119 HydrophobicContact CD1-CG1 3.67Å; Y72-V119 HydrophobicContact CD1-CG2 4.2Å; Y72-V119 HydrophobicContact CD2-CG2 3.81Å; Y72-V119 HydrophobicContact CE1-CG1 4.26Å; Y72-V119 HydrophobicContact CE1-CG2 4.4Å; Y72-V119 HydrophobicContact CE2-CG2 4.01Å; Y72-V119 HydrophobicContact CG-CG1 3.89Å; Y72-V119 HydrophobicContact CG-CG2 3.91Å; Y74-V119 HydrophobicContact CE2-CG1 3.96Å; C111-V119 HydrophobicContact CB-CG1 3.75Å; I112-V119 CarbonylContact O-C 3.51Å; I112-V119 VanDerWaalsContact O-CA 3.28Å; I112-V119 WeakPolarHBondContact O-CA 3.3Å; Q113-V119 HydrophobicContact CB-CG2 4.35Å; Q113-V119 HydrophobicContact CG-CG2 4.17Å
120	E	92.3	Very high	72.7	Confident	77 Å²	77	103.5 Å²	103.5	36%	0.36	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.9	176.8	-56.8	-166.5	157.4	0	0	109.7	C111 I112 T114 K118	C111-E120 CarbonylContact C-O 3.3Å; C111-E120 WeakPolarHBondContact CA-O 3.47Å; C111-E120 WeakPolarHBondContact CB-O 2.91Å; I112-E120 HydrophobicContact CD1-CB 4.13Å; I112-E120 HydrophobicContact CG1-CB 3.96Å; I112-E120 WeakPolarHBondContact CG1-O 3.29Å; I112-E120 PolarHBondContact N-O 2.79Å; I112-E120 PolarHBondContact O-N 2.78Å; T114-E120 HydrophobicContact CG2-CG 4.39Å; K118-E120 HydrophobicContact CD-CG 4.12Å; K118-E120 WeakPolarHBondContact CD-OE1 3.41Å; K118-E120 VanDerWaalsContact CE-OE1 3.24Å; K118-E120 WeakPolarHBondContact CE-OE1 3.22Å; K118-E120 HydrophobicContact CG-CG 4.21Å; K118-E120 IonicContact NZ-OE1 2.71Å; K118-E120 PolarHBondContact NZ-OE1 2.79Å
121	C	91.1	Very high	69.9	Low	41 Å²	41	108.8 Å²	108.8	28%	0.277	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	130.6	-176.1	-66.2	0	0	0	0	111.4	K109 C111 N123	K109-C121 HydrophobicContact CD-CB 3.96Å; K109-C121 HydrophobicContact CG-CB 4.42Å; C111-C121 HydrophobicContact CB-CB 3.93Å; C111-C121 WeakPolarHBondContact CB-SG 3.39Å; C111-C121 VanDerWaalsContact SG-CA 3.51Å; C111-C121 WeakPolarHBondContact SG-CB 3.4Å; C111-C121 CovalentContact SG-SG 2.04Å; C111-C121 PolarHBondContact SG-SG 3.26Å; C121-N123 PolarHBondContact O-N 2.73Å
122	I	77.8	Confident	67	Low	80 Å²	80	113.7 Å²	113.7	41%	0.41	55%	0.546	S	S	.	.			trans	-71.9	106.8	176.8	-53.4	170.2	0	0	0	106.4	R110 Q124	R110-I122 PolarHBondContact O-N 2.85Å; I122-Q124 PolarHBondContact O-N 3.33Å
123	N	66.8	Low	64.3	Low	128 Å²	128	123.8 Å²	123.8	68%	0.684	58%	0.582	S	S	*	*			trans	-62.4	111.5	166.3	-75.9	-29.8	0	0	0	106.4	C121	C121-N123 PolarHBondContact O-N 2.73Å
124	Q	57.8	Low	62.1	Low	77 Å²	77	134.8 Å²	134.8	36%	0.36	63%	0.63	S	S	.	*			trans	-53.6	131.8	169	-85.6	-171.2	-25.1	0	0	107.3	S45 I122 K126	S45-Q124 PolarHBondContact O-NE2 2.96Å; I122-Q124 PolarHBondContact O-N 3.33Å; Q124-K126 PolarHBondContact O-N 3.2Å
125	P	45.6	Very low	60.8	Low	115 Å²	115	140.6 Å²	140.6	75%	0.747	66%	0.656	S	S	*	*			trans	-53.9	117.8	173.7	20.6	-28.9	0	0	0	105.7	R127	P125-R127 VanDerWaalsContact C-N 3.3Å; P125-R127 PolarHBondContact O-N 3.3Å
126	K	43.4	Very low	59.4	Low	202 Å²	202	140.6 Å²	140.6	88%	0.878	66%	0.658	S	S	*	*			trans	-50.5	106.9	169.3	-71.2	-177	179.7	178.1	0	103.7	Q124 R128	Q124-K126 PolarHBondContact O-N 3.2Å; K126-R128 PolarHBondContact O-N 3.18Å
127	R	40.9	Very low	57.9	Low	237 Å²	237	139.6 Å²	139.6	89%	0.894	65%	0.647	S	S	*	*			trans	-48.3	112.8	172.8	-92.1	-175	169.1	175.4	-3.6	103.9	P125 R129	P125-R127 VanDerWaalsContact C-N 3.3Å; P125-R127 PolarHBondContact O-N 3.3Å; R127-R129 PolarHBondContact O-N 3.04Å
128	R	31.7	Very low	56.2	Low	230 Å²	230	145.8 Å²	145.8	87%	0.868	67%	0.665	S	S	*	*			trans	-46.9	117.6	167.7	-83.2	-177	173.3	-179.7	-2.1	103.8	K126 T130	K126-R128 PolarHBondContact O-N 3.18Å; R128-T130 PolarHBondContact O-N 3.3Å; R128-T130 PolarHBondContact O-OG1 3.42Å
129	R	33.8	Very low	53.9	Low	203 Å²	203	146.9 Å²	146.9	77%	0.766	67%	0.672	S	S	*	*			trans	-53.9	98.1	172	-83.6	-176.6	-179.9	171	0	105.3	R127 Y131	R127-R129 PolarHBondContact O-N 3.04Å; R129-Y131 VanDerWaalsContact C-N 3.29Å; R129-Y131 HydrophobicContact CB-CD2 4.12Å; R129-Y131 HydrophobicContact CB-CE2 3.89Å; R129-Y131 PolarHBondContact NH1-OH 2.74Å; R129-Y131 PolarHBondContact O-N 3.17Å
130	T	36.6	Very low	51.3	Low	122 Å²	122	153.9 Å²	153.9	75%	0.748	70%	0.7	S	S	*	*			trans	-80.2	98.3	164.4	-50.3	0	0	0	0	101.8	R128 C132	R128-T130 PolarHBondContact O-N 3.3Å; R128-T130 PolarHBondContact O-OG1 3.42Å; T130-C132 VanDerWaalsContact C-N 3.33Å; T130-C132 PolarHBondContact O-N 2.9Å
131	Y	35.3	Very low	48.3	Very low	182 Å²	182	159.4 Å²	159.4	71%	0.714	72%	0.724	S	S	*	*			trans	-61.4	101.7	169.1	-76.3	-95.8	0	0	0	106.1	R129 R133	R129-Y131 VanDerWaalsContact C-N 3.29Å; R129-Y131 HydrophobicContact CB-CD2 4.12Å; R129-Y131 HydrophobicContact CB-CE2 3.89Å; R129-Y131 PolarHBondContact NH1-OH 2.74Å; R129-Y131 PolarHBondContact O-N 3.17Å; Y131-R133 PolarHBondContact O-N 3.14Å
132	C	33.9	Very low	45.1	Very low	103 Å²	103	168.5 Å²	168.5	70%	0.696	76%	0.759	S	S	*	*			trans	-71.3	106.5	159.3	-65.8	0	0	0	0	105.9	T130 F134	T130-C132 VanDerWaalsContact C-N 3.33Å; T130-C132 PolarHBondContact O-N 2.9Å; C132-F134 PolarHBondContact O-N 3.21Å
133	R	37.2	Very low	42.3	Very low	244 Å²	244	175.9 Å²	175.9	92%	0.921	79%	0.788	S	S	*	*			trans	-71.9	113.8	163.2	-134.2	178.2	-171.8	172	0.7	105.7	Y131	Y131-R133 PolarHBondContact O-N 3.14Å
134	F	45.1	Very low	40.1	Very low	268 Å²	268	180.3 Å²	180.3	100%	1.175	80%	0.797	S	S	*	*			trans	-85.2	0	150.3	-67.1	-80.6	0	0	0	107.3	C132	C132-F134 PolarHBondContact O-N 3.21Å

Retrieved 134 of 134 residues in 140 ms (Link to these results)

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