A0A077Z118_TRITR Loading...

Calcipressin 2

AlphaFold DB , UniProt , Accession A0A077Z118, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 194 aa.

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(Predicted Aligned Error values between residue pairs)

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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	42.2	Very low	39.6	Very low	231 Å²	231	143.1 Å²	143.1	100%	1.138	81%	0.805	S	S	*	*				0	129.1	0	-74.5	-176	-159.4	0	0	106.8
2	Q	37.1	Very low	39.4	Very low	172 Å²	172	145 Å²	145	80%	0.804	80%	0.803	S	S	*	*			trans	-49	126.8	-160.8	-81.3	83.1	-23.8	0	0	114.9	E4	Q2-E4 HydrophobicContact CB-CG 4.49Å
3	C	35.5	Very low	39.8	Very low	121 Å²	121	141.5 Å²	141.5	82%	0.818	80%	0.804	S	S	*	*			trans	-82.1	112.4	154.9	-60.9	0	0	0	0	107.1
4	E	41.6	Very low	40.8	Very low	172 Å²	172	144.4 Å²	144.4	80%	0.804	81%	0.807	S	S	*	*			trans	-89.9	115.3	171.5	-70.1	-172.1	152.4	0	0	109.2	Q2	Q2-E4 HydrophobicContact CB-CG 4.49Å
5	L	39.5	Very low	42.3	Very low	165 Å²	165	145.1 Å²	145.1	86%	0.864	81%	0.807	S	S	*	*			trans	-86.5	112.3	165.6	-81.6	102.5	0	0	0	108.4
6	T	41.4	Very low	44.2	Very low	109 Å²	109	147.6 Å²	147.6	67%	0.669	81%	0.81	S	S	*	*			trans	-158.8	128.9	166.4	51.4	0	0	0	0	106
7	D	40.7	Very low	46.3	Very low	137 Å²	137	144 Å²	144	73%	0.733	79%	0.789	S	S	*	*			cis	-153.1	140.8	9.9	-90.2	-45	0	0	0	108.3	V9	D7-V9 HydrophobicContact CB-CG2 3.76Å; D7-V9 PolarHBondContact O-N 3.29Å; D7-V9 VanDerWaalsContact O-N 3.12Å
8	A	37.5	Very low	48.7	Very low	99 Å²	99	137.4 Å²	137.4	82%	0.818	76%	0.755	S	S	*	*			trans	-75	89.6	163.9	0	0	0	0	0	108.4
9	V	43.9	Very low	51.1	Low	119 Å²	119	132.5 Å²	132.5	72%	0.721	73%	0.731	S	S	*	*			trans	-92.9	109.6	176.8	-178.7	0	0	0	0	109.6	D7	D7-V9 HydrophobicContact CB-CG2 3.76Å; D7-V9 PolarHBondContact O-N 3.29Å; D7-V9 VanDerWaalsContact O-N 3.12Å
10	S	40.4	Very low	53.3	Low	105 Å²	105	126 Å²	126	73%	0.734	70%	0.695	S	S	*	*			trans	78.4	73.9	155.3	-51	0	0	0	0	117.7
11	L	36.3	Very low	55.4	Low	144 Å²	144	120 Å²	120	75%	0.754	66%	0.662	S	S	*	*			trans	-50.5	137.4	149.5	-86.8	81.1	0	0	0	110.3
12	E	36.4	Very low	58	Low	166 Å²	166	110.7 Å²	110.7	78%	0.776	62%	0.616	S	S	*	*			trans	55.3	88.9	154.6	-58.8	179.6	-176.2	0	0	115.3	E14	E12-E14 VanDerWaalsContact C-N 3.26Å; E12-E14 PolarHBondContact O-N 3.13Å
13	A	45	Very low	60.9	Low	99 Å²	99	102.5 Å²	102.5	82%	0.818	58%	0.578	S	S	*	*			trans	-57.7	98.3	155.5	0	0	0	0	0	107.7	I15	A13-I15 PolarHBondContact O-N 3.26Å
14	E	53.9	Low	63.9	Low	182 Å²	182	98 Å²	98	85%	0.85	55%	0.547	S	S	*	.			trans	-48.9	113.9	169.8	-75.1	-175	161.7	0	0	106.8	E12 E16	E12-E14 VanDerWaalsContact C-N 3.26Å; E12-E14 PolarHBondContact O-N 3.13Å; E14-E16 PolarHBondContact O-N 2.76Å
15	I	63.1	Low	66.4	Low	156 Å²	156	93 Å²	93	80%	0.8	53%	0.526	S	S	*	.			trans	-65.3	94.1	177.4	-60.9	169.6	0	0	0	106	A13 L17	A13-I15 PolarHBondContact O-N 3.26Å; I15-L17 PolarHBondContact O-N 2.8Å
16	E	72.6	Confident	69.2	Low	184 Å²	184	85.2 Å²	85.2	86%	0.86	49%	0.485	S	S	*	.			trans	-62.1	108.9	178.7	-168.6	-179.2	179.3	0	0	107.9	E14	E14-E16 PolarHBondContact O-N 2.76Å
17	L	79.8	Confident	71.7	Confident	87 Å²	87	80.2 Å²	80.2	46%	0.455	46%	0.455	S	S	.	.			trans	-65.6	136.9	179.4	-76.1	167.8	0	0	0	109	I15 A69	I15-L17 PolarHBondContact O-N 2.8Å; L17-A69 HydrophobicContact CB-CB 3.79Å; L17-A69 WeakPolarHBondContact O-CB 3.25Å
18	P	90.4	Very high	74.2	Confident	26 Å²	26	77.4 Å²	77.4	17%	0.169	44%	0.438	C	S	.	.			trans	-71.6	138.3	-175.6	25.8	-31.6	0	0	0	111.4	S20 F93 S94	P18-S20 PolarHBondContact O-N 3.47Å; P18-F93 HydrophobicContact CG-CB 3.52Å; P18-F93 HydrophobicContact CG-CD1 3.74Å; P18-F93 HydrophobicContact CG-CG 3.71Å; P18-S94 WeakPolarHBondContact CB-O 3.46Å; P18-S94 WeakPolarHBondContact CG-O 3.27Å
19	S	93.9	Very high	76.9	Confident	44 Å²	44	78.1 Å²	78.1	31%	0.308	42%	0.424	S	S	.	.	S	Bend	trans	-79.1	10	177	56	0	0	0	0	114.1	Q65 F66	S19-Q65 PolarHBondContact O-NE2 3.04Å; S19-Q65 PolarHBondContact OG-NE2 2.9Å; S19-F66 WeakPolarHBondContact O-CB 3.45Å; S19-F66 WeakPolarHBondContact O-CD2 3.45Å; S19-F66 PolarHBondContact O-N 2.84Å
20	S	95.8	Very high	79.4	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.007	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	150.2	-178.5	59.8	0	0	0	0	114.2	P18 V64 Q65 S94	P18-S20 PolarHBondContact O-N 3.47Å; S20-V64 CarbonylContact C-O 3.14Å; S20-V64 VanDerWaalsContact CA-O 3.22Å; S20-V64 WeakPolarHBondContact CA-O 3.29Å; S20-V64 VanDerWaalsContact CB-O 3.25Å; S20-V64 WeakPolarHBondContact CB-O 3.34Å; S20-Q65 VanDerWaalsContact CB-OE1 3.25Å; S20-S94 PolarHBondContact O-N 2.98Å; S20-S94 WeakPolarHBondContact OG-CB 3.4Å
21	L	97	Very high	81.9	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	144.7	177.6	-63.7	177.2	0	0	0	111.2	R63 V64 F66 A75 R76 C91 F92 F93	L21-R63 CarbonylContact O-C 3.57Å; L21-R63 WeakPolarHBondContact O-CA 3.14Å; L21-V64 PolarHBondContact N-O 2.96Å; L21-V64 PolarHBondContact O-N 2.97Å; L21-F66 HydrophobicContact CB-CE2 4.04Å; L21-F66 HydrophobicContact CD1-CE2 3.71Å; L21-F66 HydrophobicContact CD1-CZ 3.91Å; L21-F66 HydrophobicContact CG-CE2 3.69Å; L21-F66 HydrophobicContact CG-CZ 4.4Å; L21-A75 HydrophobicContact CD1-CB 4.06Å; L21-R76 HydrophobicContact CD1-CB 4.02Å; L21-R76 HydrophobicContact CD2-CB 4.03Å; L21-R76 HydrophobicContact CD2-CG 4.43Å; L21-C91 HydrophobicContact CD1-CB 4.38Å; L21-F92 CarbonylContact C-O 3.59Å; L21-F92 WeakPolarHBondContact CA-O 3.39Å; L21-F93 HydrophobicContact CD2-CD1 3.4Å; L21-F93 VanDerWaalsContact CD2-CD1 3.4Å; L21-F93 HydrophobicContact CD2-CE1 3.68Å; L21-F93 HydrophobicContact CD2-CG 4.2Å
22	I	97.5	Very high	84.7	Confident	36 Å²	36	68.3 Å²	68.3	19%	0.185	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	114.7	164	-54.4	-57.7	0	0	0	107.7	T24 R61 R63 F92	I22-T24 HydrophobicContact CG2-CG2 4.16Å; I22-R61 HydrophobicContact CG2-CB 4.47Å; I22-R61 HydrophobicContact CG2-CG 4.43Å; I22-R63 HydrophobicContact CD1-CB 3.63Å; I22-R63 HydrophobicContact CD1-CG 3.77Å; I22-F92 PolarHBondContact N-O 3.05Å; I22-F92 PolarHBondContact O-N 3.44Å
23	V	97.7	Very high	87.5	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.4	174.8	-170.2	0	0	0	0	108.4	L26 F40 F44 R61 C62 V64 L89 R90	V23-L26 HydrophobicContact CG1-CD2 3.92Å; V23-F40 HydrophobicContact CB-CZ 4.22Å; V23-F40 HydrophobicContact CG1-CE2 4.06Å; V23-F40 HydrophobicContact CG1-CZ 4.07Å; V23-F40 HydrophobicContact CG2-CZ 4.28Å; V23-F44 HydrophobicContact CB-CZ 4.48Å; V23-F44 HydrophobicContact CG1-CZ 4.28Å; V23-F44 HydrophobicContact CG2-CE1 3.89Å; V23-F44 HydrophobicContact CG2-CE2 4.13Å; V23-F44 HydrophobicContact CG2-CZ 3.4Å; V23-F44 VanDerWaalsContact CG2-CZ 3.4Å; V23-R61 WeakPolarHBondContact O-CA 3.45Å; V23-C62 PolarHBondContact N-O 2.87Å; V23-C62 PolarHBondContact O-N 2.74Å; V23-V64 HydrophobicContact CG2-CG2 3.82Å; V23-L89 HydrophobicContact CG1-CB 4.31Å; V23-L89 HydrophobicContact CG1-CD1 4.34Å; V23-L89 HydrophobicContact CG1-CD2 4.35Å; V23-R90 CarbonylContact C-O 3.58Å; V23-R90 WeakPolarHBondContact CA-O 3.34Å
24	T	97.3	Very high	89.9	Confident	27 Å²	27	64.1 Å²	64.1	17%	0.166	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	171.6	-179.1	80.7	0	0	0	0	111.8	I22 L26 R61 R90 F92	I22-T24 HydrophobicContact CG2-CG2 4.16Å; T24-L26 VanDerWaalsContact C-N 3.32Å; T24-L26 PolarHBondContact O-N 2.81Å; T24-R61 HydrophobicContact CG2-CG 4.04Å; T24-R90 PolarHBondContact N-O 2.97Å; T24-R90 PolarHBondContact O-N 3.06Å; T24-R90 WeakPolarHBondContact OG1-CB 3.31Å; T24-F92 HydrophobicContact CG2-CD2 3.83Å; T24-F92 HydrophobicContact CG2-CE2 3.8Å
25	N	95.4	Very high	91.9	Very high	68 Å²	68	62.1 Å²	62.1	36%	0.364	33%	0.33	S	S	.	.			trans	63.1	35.1	-178.8	-163.2	33.5	0	0	0	113.3	K87 V88	N25-K87 WeakPolarHBondContact O-CB 3.48Å; N25-V88 PolarHBondContact ND2-O 2.87Å
26	L	96.7	Very high	93.4	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	30%	0.3	C	S	.	.			trans	-69.4	139.7	175.2	-61.4	177.6	0	0	0	110.7	V23 T24 L30 F31 F40 R60 C62 L89	V23-L26 HydrophobicContact CG1-CD2 3.92Å; T24-L26 VanDerWaalsContact C-N 3.32Å; T24-L26 PolarHBondContact O-N 2.81Å; L26-L30 HydrophobicContact CD1-CD2 4.36Å; L26-L30 HydrophobicContact CD2-CD1 4.34Å; L26-F31 HydrophobicContact CB-CE2 4.03Å; L26-F31 HydrophobicContact CB-CZ 3.99Å; L26-F31 HydrophobicContact CD1-CE1 4.48Å; L26-F31 HydrophobicContact CD1-CZ 3.89Å; L26-F40 HydrophobicContact CD1-CZ 4.43Å; L26-F40 HydrophobicContact CD2-CD2 4.03Å; L26-F40 HydrophobicContact CD2-CE2 3.36Å; L26-F40 HydrophobicContact CD2-CZ 3.78Å; L26-R60 PolarHBondContact N-O 3.24Å; L26-C62 HydrophobicContact CD1-CB 3.56Å; L26-L89 HydrophobicContact CD2-CD2 3.71Å
27	P	95.1	Very high	94.6	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.026	27%	0.273	C	S	.	.			trans	-62.3	148.7	172	26.7	-32.4	0	0	0	110.4	E29 L30 F31 F84 H85 K87	P27-E29 WeakPolarHBondContact CB-OE2 3.44Å; P27-E29 PolarHBondContact O-N 3.29Å; P27-L30 HydrophobicContact CG-CB 3.98Å; P27-L30 WeakPolarHBondContact O-CB 3.46Å; P27-L30 PolarHBondContact O-N 3.23Å; P27-F31 WeakPolarHBondContact O-CE2 3.42Å; P27-F84 HydrophobicContact CG-CD1 3.92Å; P27-F84 HydrophobicContact CG-CE1 3.93Å; P27-H85 HydrophobicContact CG-CB 4.27Å; P27-K87 HydrophobicContact CB-CG 4.47Å
28	M	93.3	Very high	95.4	Very high	78 Å²	78	48 Å²	48	38%	0.384	27%	0.265	S	S	.	.	S	Bend	trans	-68.3	-30.8	-178.8	-77.1	-64.9	-63	0	0	111.6	L30 F31 R60	M28-L30 PolarHBondContact O-N 3.34Å; M28-F31 PolarHBondContact O-N 2.92Å; M28-F31 VanDerWaalsContact O-N 3.11Å; M28-R60 VanDerWaalsContact CG-NH2 3.28Å; M28-R60 HydrophobicContact SD-CG 3.76Å; M28-R60 VanDerWaalsContact SD-CZ 3.54Å; M28-R60 PolarHBondContact SD-NE 3.2Å
29	E	93.6	Very high	95.7	Very high	113 Å²	113	50 Å²	50	53%	0.528	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-62.2	-31.5	-178.5	-62.5	71.5	-155.9	0	0	111.3	P27 F31 S32 S33	P27-E29 WeakPolarHBondContact CB-OE2 3.44Å; P27-E29 PolarHBondContact O-N 3.29Å; E29-F31 PolarHBondContact O-N 3.38Å; E29-S32 PolarHBondContact O-N 3.26Å; E29-S33 WeakPolarHBondContact O-CB 3.43Å; E29-S33 PolarHBondContact O-N 3.37Å
30	L	95.5	Very high	95.8	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-60.6	-29.7	176	172.8	152.1	0	0	0	112.6	L26 P27 M28 S32 Q36 F40 Y55 F84	L26-L30 HydrophobicContact CD1-CD2 4.36Å; L26-L30 HydrophobicContact CD2-CD1 4.34Å; P27-L30 HydrophobicContact CG-CB 3.98Å; P27-L30 WeakPolarHBondContact O-CB 3.46Å; P27-L30 PolarHBondContact O-N 3.23Å; M28-L30 PolarHBondContact O-N 3.34Å; L30-S32 VanDerWaalsContact C-N 3.31Å; L30-Q36 HydrophobicContact CB-CB 4.5Å; L30-F40 HydrophobicContact CD1-CB 3.53Å; L30-F40 HydrophobicContact CD1-CD1 4.13Å; L30-F40 HydrophobicContact CD1-CD2 3.79Å; L30-F40 HydrophobicContact CD1-CG 3.54Å; L30-Y55 HydrophobicContact CD2-CD1 3.99Å; L30-Y55 HydrophobicContact CD2-CE1 3.7Å; L30-F84 HydrophobicContact CD1-CD1 4.41Å; L30-F84 HydrophobicContact CD1-CE1 3.54Å; L30-F84 HydrophobicContact CD1-CZ 4.05Å
31	F	94.6	Very high	95.9	Very high	51 Å²	51	49.6 Å²	49.6	22%	0.224	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-82.4	-10.5	178.9	-57.5	-79.5	0	0	0	113.1	L26 P27 M28 E29 Y55 R60	L26-F31 HydrophobicContact CB-CE2 4.03Å; L26-F31 HydrophobicContact CB-CZ 3.99Å; L26-F31 HydrophobicContact CD1-CE1 4.48Å; L26-F31 HydrophobicContact CD1-CZ 3.89Å; P27-F31 WeakPolarHBondContact O-CE2 3.42Å; M28-F31 PolarHBondContact O-N 2.92Å; M28-F31 VanDerWaalsContact O-N 3.11Å; E29-F31 PolarHBondContact O-N 3.38Å; F31-Y55 HydrophobicContact CD1-CD1 4.26Å; F31-Y55 AromaticContact CE1-CD1 3.88Å; F31-Y55 HydrophobicContact CE1-CD1 3.88Å; F31-Y55 HydrophobicContact CE1-CG 4.44Å; F31-R60 HydrophobicContact CE2-CB 4.44Å
32	S	94.3	Very high	95.9	Very high	111 Å²	111	55.2 Å²	55.2	78%	0.776	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	-22	-179.6	-53.4	0	0	0	0	113.2	E29 L30	E29-S32 PolarHBondContact O-N 3.26Å; L30-S32 VanDerWaalsContact C-N 3.31Å
33	S	94.7	Very high	95.9	Very high	41 Å²	41	56.2 Å²	56.2	29%	0.287	30%	0.296	S	S	.	.			trans	-111.1	114.6	-176.8	177.5	0	0	0	0	112	E29 Q35 Q36 K37	E29-S33 WeakPolarHBondContact O-CB 3.43Å; E29-S33 PolarHBondContact O-N 3.37Å; S33-Q35 PolarHBondContact O-N 3.3Å; S33-Q36 PolarHBondContact O-N 3.39Å; S33-K37 WeakPolarHBondContact O-CB 3.21Å; S33-K37 PolarHBondContact O-N 3.42Å
34	D	95.3	Very high	95.9	Very high	136 Å²	136	56.2 Å²	56.2	73%	0.727	30%	0.296	S	S	*	.	H	α-helix	trans	-61.5	-29.6	176.1	-71.2	-35	0	0	0	112.6	K37 G38	D34-K37 PolarHBondContact O-N 2.78Å; D34-G38 PolarHBondContact O-N 2.66Å
35	Q	96.1	Very high	95.9	Very high	139 Å²	139	58.5 Å²	58.5	65%	0.65	30%	0.304	S	S	*	.	H	α-helix	trans	-65	-52.6	176.4	-177.4	-174.9	-9.6	0	0	111.3	S33 K37 G38 E39	S33-Q35 PolarHBondContact O-N 3.3Å; Q35-K37 PolarHBondContact O-N 3.06Å; Q35-G38 PolarHBondContact O-N 3.31Å; Q35-G38 VanDerWaalsContact O-N 3.16Å; Q35-E39 PolarHBondContact NE2-OE1 3.33Å; Q35-E39 WeakPolarHBondContact O-CG 3.38Å; Q35-E39 PolarHBondContact O-N 2.96Å
36	Q	95.3	Very high	95.9	Very high	36 Å²	36	61.1 Å²	61.1	17%	0.168	32%	0.318	C	S	.	.	H	α-helix	trans	-64	-35.8	178.9	-70.4	-168.4	0.9	0	0	111.2	L30 S33 E39 F40 F84	L30-Q36 HydrophobicContact CB-CB 4.5Å; S33-Q36 PolarHBondContact O-N 3.39Å; Q36-E39 PolarHBondContact O-N 3.44Å; Q36-F40 WeakPolarHBondContact O-CB 3.5Å; Q36-F40 PolarHBondContact O-N 3.34Å; Q36-F84 WeakPolarHBondContact O-CZ 3.46Å
37	K	96.5	Very high	95.8	Very high	69 Å²	69	63.5 Å²	63.5	30%	0.3	33%	0.33	S	S	.	.	H	α-helix	trans	-60.9	-45.9	173.8	-167.7	-176.3	177.9	-170.9	0	111.4	S33 D34 Q35 F40 E41 Y55	S33-K37 WeakPolarHBondContact O-CB 3.21Å; S33-K37 PolarHBondContact O-N 3.42Å; D34-K37 PolarHBondContact O-N 2.78Å; Q35-K37 PolarHBondContact O-N 3.06Å; K37-F40 WeakPolarHBondContact O-CB 3.27Å; K37-F40 PolarHBondContact O-N 2.9Å; K37-E41 WeakPolarHBondContact O-CG 3.48Å; K37-E41 PolarHBondContact O-N 2.84Å; K37-Y55 HydrophobicContact CD-CE2 4.23Å; K37-Y55 HydrophobicContact CG-CE1 4.45Å; K37-Y55 HydrophobicContact CG-CE2 4.24Å; K37-Y55 WeakPolarHBondContact CG-OH 3.15Å
38	G	97.1	Very high	95.9	Very high	27 Å²	27	63.7 Å²	63.7	28%	0.278	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-45.4	176.1	0	0	0	0	0	113.3	D34 Q35 F40 E41 Q42	D34-G38 PolarHBondContact O-N 2.66Å; Q35-G38 PolarHBondContact O-N 3.31Å; Q35-G38 VanDerWaalsContact O-N 3.16Å; G38-F40 VanDerWaalsContact C-N 3.33Å; G38-F40 PolarHBondContact O-N 3.21Å; G38-E41 PolarHBondContact O-N 3.47Å; G38-Q42 WeakPolarHBondContact O-CB 3.43Å; G38-Q42 VanDerWaalsContact O-CG 3.27Å; G38-Q42 WeakPolarHBondContact O-CG 3.46Å; G38-Q42 PolarHBondContact O-N 3.4Å
39	E	96.5	Very high	96	Very high	67 Å²	67	68.2 Å²	68.2	31%	0.313	35%	0.351	S	S	.	.	H	α-helix	trans	-59.6	-43.5	174.7	-70.6	171.4	-169.2	0	0	111.7	Q35 Q36 Q42 L43 F84 H85	Q35-E39 PolarHBondContact NE2-OE1 3.33Å; Q35-E39 WeakPolarHBondContact O-CG 3.38Å; Q35-E39 PolarHBondContact O-N 2.96Å; Q36-E39 PolarHBondContact O-N 3.44Å; E39-Q42 PolarHBondContact O-N 3.3Å; E39-L43 PolarHBondContact O-N 3.27Å; E39-F84 HydrophobicContact CB-CE2 4.29Å; E39-H85 IonicContact OE2-CD2 3.8Å; E39-H85 IonicContact OE2-CE1 3.54Å; E39-H85 IonicContact OE2-NE2 2.83Å; E39-H85 PolarHBondContact OE2-NE2 2.82Å
40	F	97.3	Very high	96.2	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.7	-48.7	176.2	174.6	-97.2	0	0	0	112.1	V23 L26 L30 Q36 K37 G38 Q42 L43 F44 F53 Y55 C62 F84 L89	V23-F40 HydrophobicContact CB-CZ 4.22Å; V23-F40 HydrophobicContact CG1-CE2 4.06Å; V23-F40 HydrophobicContact CG1-CZ 4.07Å; V23-F40 HydrophobicContact CG2-CZ 4.28Å; L26-F40 HydrophobicContact CD1-CZ 4.43Å; L26-F40 HydrophobicContact CD2-CD2 4.03Å; L26-F40 HydrophobicContact CD2-CE2 3.36Å; L26-F40 HydrophobicContact CD2-CZ 3.78Å; L30-F40 HydrophobicContact CD1-CB 3.53Å; L30-F40 HydrophobicContact CD1-CD1 4.13Å; L30-F40 HydrophobicContact CD1-CD2 3.79Å; L30-F40 HydrophobicContact CD1-CG 3.54Å; Q36-F40 WeakPolarHBondContact O-CB 3.5Å; Q36-F40 PolarHBondContact O-N 3.34Å; K37-F40 WeakPolarHBondContact O-CB 3.27Å; K37-F40 PolarHBondContact O-N 2.9Å; G38-F40 VanDerWaalsContact C-N 3.33Å; G38-F40 PolarHBondContact O-N 3.21Å; F40-Q42 VanDerWaalsContact C-N 3.27Å; F40-Q42 PolarHBondContact O-N 3.37Å; F40-L43 WeakPolarHBondContact O-CB 3.49Å; F40-L43 PolarHBondContact O-N 3.5Å; F40-F44 HydrophobicContact CD2-CE2 4.21Å; F40-F44 HydrophobicContact CE1-CD2 4.22Å; F40-F44 HydrophobicContact CE1-CE2 4.14Å; F40-F44 HydrophobicContact CE2-CD2 4.27Å; F40-F44 AromaticContact CE2-CE2 3.52Å; F40-F44 HydrophobicContact CE2-CE2 3.52Å; F40-F44 HydrophobicContact CE2-CZ 4.42Å; F40-F44 HydrophobicContact CZ-CD2 4.03Å; F40-F44 AromaticContact CZ-CE2 3.48Å; F40-F44 HydrophobicContact CZ-CE2 3.48Å; F40-F44 VanDerWaalsContact CZ-CE2 3.48Å; F40-F44 HydrophobicContact CZ-CZ 4.31Å; F40-F44 WeakPolarHBondContact O-CD2 3.26Å; F40-F53 HydrophobicContact CD1-CD1 4.48Å; F40-F53 HydrophobicContact CE1-CD1 4.06Å; F40-F53 HydrophobicContact CE1-CE1 4.25Å; F40-Y55 HydrophobicContact CD1-CE1 4.23Å; F40-Y55 HydrophobicContact CE1-CE1 4.17Å; F40-C62 HydrophobicContact CE1-CB 4.06Å; F40-C62 HydrophobicContact CZ-CB 4.12Å; F40-F84 HydrophobicContact CB-CE1 4.19Å; F40-F84 HydrophobicContact CB-CE2 3.97Å; F40-F84 HydrophobicContact CB-CZ 3.59Å; F40-F84 HydrophobicContact CD2-CD1 4.48Å; F40-F84 HydrophobicContact CD2-CE1 4.33Å; F40-F84 HydrophobicContact CD2-CZ 4.37Å; F40-F84 HydrophobicContact CG-CZ 4.47Å; F40-L89 HydrophobicContact CD2-CD1 4.38Å; F40-L89 HydrophobicContact CE2-CD1 4.02Å
41	E	97.7	Very high	96.3	Very high	37 Å²	37	67.7 Å²	67.7	17%	0.173	36%	0.356	C	S	.	.	H	α-helix	trans	-61	-38.1	178.7	-71.8	-173.3	-167.2	0	0	111.5	K37 G38 L43 F44 K45 F53 Y55	K37-E41 WeakPolarHBondContact O-CG 3.48Å; K37-E41 PolarHBondContact O-N 2.84Å; G38-E41 PolarHBondContact O-N 3.47Å; E41-L43 VanDerWaalsContact C-N 3.31Å; E41-L43 PolarHBondContact O-N 2.75Å; E41-F44 PolarHBondContact O-N 3.05Å; E41-K45 HydrophobicContact CB-CD 4.4Å; E41-K45 WeakPolarHBondContact O-CB 3.29Å; E41-K45 WeakPolarHBondContact O-CG 3.37Å; E41-K45 PolarHBondContact O-N 2.89Å; E41-K45 IonicContact OE2-NZ 2.8Å; E41-K45 PolarHBondContact OE2-NZ 3.31Å; E41-F53 HydrophobicContact CB-CD2 4.33Å; E41-F53 HydrophobicContact CB-CE1 4.19Å; E41-F53 HydrophobicContact CB-CE2 3.92Å; E41-F53 HydrophobicContact CB-CZ 3.83Å; E41-F53 HydrophobicContact CG-CD1 3.94Å; E41-F53 HydrophobicContact CG-CD2 3.74Å; E41-F53 HydrophobicContact CG-CE1 4.01Å; E41-F53 HydrophobicContact CG-CE2 3.85Å; E41-F53 HydrophobicContact CG-CG 3.81Å; E41-F53 HydrophobicContact CG-CZ 3.97Å; E41-F53 WeakPolarHBondContact O-CZ 3.39Å; E41-Y55 VanDerWaalsContact CG-OH 3.26Å; E41-Y55 WeakPolarHBondContact CG-OH 3.48Å; E41-Y55 PolarHBondContact OE1-OH 3.41Å
42	Q	97.1	Very high	96.4	Very high	118 Å²	118	67.6 Å²	67.6	55%	0.551	36%	0.361	S	S	*	.	H	α-helix	trans	-59.1	-38.7	177.2	-78.4	175.2	3.9	0	0	112.6	G38 E39 F40 F44 K45 N46	G38-Q42 WeakPolarHBondContact O-CB 3.43Å; G38-Q42 VanDerWaalsContact O-CG 3.27Å; G38-Q42 WeakPolarHBondContact O-CG 3.46Å; G38-Q42 PolarHBondContact O-N 3.4Å; E39-Q42 PolarHBondContact O-N 3.3Å; F40-Q42 VanDerWaalsContact C-N 3.27Å; F40-Q42 PolarHBondContact O-N 3.37Å; Q42-F44 PolarHBondContact O-N 2.98Å; Q42-K45 PolarHBondContact O-N 3.28Å; Q42-N46 WeakPolarHBondContact O-CB 3.36Å; Q42-N46 PolarHBondContact O-N 3.16Å; Q42-N46 PolarHBondContact O-ND2 3.3Å; Q42-N46 PolarHBondContact O-OD1 2.94Å
43	L	96.2	Very high	96.6	Very high	57 Å²	57	63.7 Å²	63.7	30%	0.298	33%	0.331	S	S	.	.	H	α-helix	trans	-55.3	-42.2	177	-67.9	172.8	0	0	0	112.2	E39 F40 E41 L79 F84	E39-L43 PolarHBondContact O-N 3.27Å; F40-L43 WeakPolarHBondContact O-CB 3.49Å; F40-L43 PolarHBondContact O-N 3.5Å; E41-L43 VanDerWaalsContact C-N 3.31Å; E41-L43 PolarHBondContact O-N 2.75Å; L43-L79 HydrophobicContact CB-CD2 4.39Å; L43-F84 HydrophobicContact CD1-CD2 3.72Å; L43-F84 HydrophobicContact CD1-CE2 4.16Å
44	F	97.5	Very high	96.7	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-83.9	-36.1	179.8	-70.3	-85	0	0	0	112.4	V23 F40 E41 Q42 N46 M47 D48 F53 V64 F66 L79	V23-F44 HydrophobicContact CB-CZ 4.48Å; V23-F44 HydrophobicContact CG1-CZ 4.28Å; V23-F44 HydrophobicContact CG2-CE1 3.89Å; V23-F44 HydrophobicContact CG2-CE2 4.13Å; V23-F44 HydrophobicContact CG2-CZ 3.4Å; V23-F44 VanDerWaalsContact CG2-CZ 3.4Å; F40-F44 HydrophobicContact CD2-CE2 4.21Å; F40-F44 HydrophobicContact CE1-CD2 4.22Å; F40-F44 HydrophobicContact CE1-CE2 4.14Å; F40-F44 HydrophobicContact CE2-CD2 4.27Å; F40-F44 AromaticContact CE2-CE2 3.52Å; F40-F44 HydrophobicContact CE2-CE2 3.52Å; F40-F44 HydrophobicContact CE2-CZ 4.42Å; F40-F44 HydrophobicContact CZ-CD2 4.03Å; F40-F44 AromaticContact CZ-CE2 3.48Å; F40-F44 HydrophobicContact CZ-CE2 3.48Å; F40-F44 VanDerWaalsContact CZ-CE2 3.48Å; F40-F44 HydrophobicContact CZ-CZ 4.31Å; F40-F44 WeakPolarHBondContact O-CD2 3.26Å; E41-F44 PolarHBondContact O-N 3.05Å; Q42-F44 PolarHBondContact O-N 2.98Å; F44-N46 PolarHBondContact O-N 3.46Å; F44-M47 WeakPolarHBondContact O-CA 3.42Å; F44-M47 WeakPolarHBondContact O-CB 3.49Å; F44-M47 PolarHBondContact O-N 3.47Å; F44-D48 PolarHBondContact O-N 2.95Å; F44-F53 HydrophobicContact CB-CE1 3.69Å; F44-F53 HydrophobicContact CB-CZ 3.68Å; F44-F53 HydrophobicContact CD2-CE1 4.09Å; F44-F53 HydrophobicContact CG-CE1 4.07Å; F44-V64 HydrophobicContact CB-CG1 4.14Å; F44-V64 HydrophobicContact CD1-CB 4.42Å; F44-V64 HydrophobicContact CD1-CG1 4.02Å; F44-V64 HydrophobicContact CD1-CG2 4.15Å; F44-V64 HydrophobicContact CD2-CG2 4.45Å; F44-V64 HydrophobicContact CE1-CG2 4.25Å; F44-V64 HydrophobicContact CG-CG1 4.17Å; F44-V64 HydrophobicContact CG-CG2 4.24Å; F44-V64 HydrophobicContact CZ-CG2 4.48Å; F44-F66 HydrophobicContact CD1-CE1 4.33Å; F44-F66 AromaticContact CD1-CZ 3.8Å; F44-F66 HydrophobicContact CD1-CZ 3.8Å; F44-F66 HydrophobicContact CE1-CZ 4.44Å; F44-L79 HydrophobicContact CD1-CD1 3.38Å; F44-L79 HydrophobicContact CD2-CD1 4.3Å; F44-L79 HydrophobicContact CE1-CB 4.31Å; F44-L79 HydrophobicContact CE1-CD1 3.45Å; F44-L79 VanDerWaalsContact CE1-CD1 3.45Å; F44-L79 HydrophobicContact CE2-CD1 4.32Å; F44-L79 HydrophobicContact CG-CD1 3.84Å; F44-L79 HydrophobicContact CZ-CB 4.4Å; F44-L79 HydrophobicContact CZ-CD1 3.93Å
45	K	97.5	Very high	96.8	Very high	75 Å²	75	62.8 Å²	62.8	33%	0.326	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-28.7	175	-77.7	174	171.7	159.3	0	112.9	E41 Q42 M47 D48 E49 F53	E41-K45 HydrophobicContact CB-CD 4.4Å; E41-K45 WeakPolarHBondContact O-CB 3.29Å; E41-K45 WeakPolarHBondContact O-CG 3.37Å; E41-K45 PolarHBondContact O-N 2.89Å; E41-K45 IonicContact OE2-NZ 2.8Å; E41-K45 PolarHBondContact OE2-NZ 3.31Å; Q42-K45 PolarHBondContact O-N 3.28Å; K45-M47 PolarHBondContact O-N 3.35Å; K45-D48 WeakPolarHBondContact CA-O 3.42Å; K45-D48 CarbonylContact O-C 3.54Å; K45-D48 PolarHBondContact O-N 2.89Å; K45-E49 WeakPolarHBondContact O-CA 3.43Å; K45-E49 PolarHBondContact O-N 2.83Å; K45-E49 VanDerWaalsContact O-N 3.13Å; K45-F53 HydrophobicContact CD-CE2 4.41Å; K45-F53 HydrophobicContact CG-CE2 4.09Å; K45-F53 HydrophobicContact CG-CZ 4.22Å
46	N	96.1	Very high	96.7	Very high	122 Å²	122	60.1 Å²	60.1	65%	0.652	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-26	171.5	-69.3	-16.7	0	0	0	112.7	Q42 F44	Q42-N46 WeakPolarHBondContact O-CB 3.36Å; Q42-N46 PolarHBondContact O-N 3.16Å; Q42-N46 PolarHBondContact O-ND2 3.3Å; Q42-N46 PolarHBondContact O-OD1 2.94Å; F44-N46 PolarHBondContact O-N 3.46Å
47	M	94.6	Very high	96.7	Very high	52 Å²	52	61.3 Å²	61.3	26%	0.256	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-35.8	175.1	-56.1	-68.2	94.9	0	0	111.4	F44 K45 R71 A75 H78 L79	F44-M47 WeakPolarHBondContact O-CA 3.42Å; F44-M47 WeakPolarHBondContact O-CB 3.49Å; F44-M47 PolarHBondContact O-N 3.47Å; K45-M47 PolarHBondContact O-N 3.35Å; M47-R71 PolarHBondContact O-NH1 3.23Å; M47-A75 HydrophobicContact CB-CB 4.09Å; M47-A75 HydrophobicContact CG-CB 4.03Å; M47-H78 HydrophobicContact SD-CB 4.2Å; M47-L79 HydrophobicContact CG-CD1 4.02Å
48	D	96.4	Very high	96.5	Very high	7 Å²	7	64.1 Å²	64.1	4%	0.037	34%	0.34	C	S	.	.			trans	-152.3	107.4	177.6	-177.6	-2.8	0	0	0	110.5	F44 K45 T50 A51 F66 R67 R71	F44-D48 PolarHBondContact O-N 2.95Å; K45-D48 WeakPolarHBondContact CA-O 3.42Å; K45-D48 CarbonylContact O-C 3.54Å; K45-D48 PolarHBondContact O-N 2.89Å; D48-T50 PolarHBondContact O-N 2.92Å; D48-T50 PolarHBondContact OD1-N 2.96Å; D48-T50 PolarHBondContact OD1-OG1 2.69Å; D48-A51 HydrophobicContact CB-CB 4.33Å; D48-A51 WeakPolarHBondContact O-CB 3.25Å; D48-A51 PolarHBondContact O-N 2.88Å; D48-F66 HydrophobicContact CB-CD1 3.76Å; D48-F66 HydrophobicContact CB-CE1 4.47Å; D48-F66 WeakPolarHBondContact OD2-CA 3.43Å; D48-R67 WeakPolarHBondContact OD2-CB 3.38Å; D48-R67 PolarHBondContact OD2-N 2.93Å; D48-R71 HydrophobicContact CB-CB 4.2Å; D48-R71 HydrophobicContact CB-CG 4.34Å
49	E	96.5	Very high	96.4	Very high	174 Å²	174	69.3 Å²	69.3	81%	0.813	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.5	-178.9	-63.2	177.6	-178.3	0	0	112.9	K45	K45-E49 WeakPolarHBondContact O-CA 3.43Å; K45-E49 PolarHBondContact O-N 2.83Å; K45-E49 VanDerWaalsContact O-N 3.13Å
50	T	96.8	Very high	96.4	Very high	95 Å²	95	71.6 Å²	71.6	58%	0.583	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	4.9	-179.2	65.5	0	0	0	0	113.6	D48 S52	D48-T50 PolarHBondContact O-N 2.92Å; D48-T50 PolarHBondContact OD1-N 2.96Å; D48-T50 PolarHBondContact OD1-OG1 2.69Å; T50-S52 PolarHBondContact O-N 2.89Å
51	A	97.4	Very high	96.4	Very high	7 Å²	7	77.1 Å²	77.1	6%	0.058	38%	0.382	C	S	.	.			trans	-60	135.1	-179.6	0	0	0	0	0	112.3	D48 F53 V64 Q65 F66	D48-A51 HydrophobicContact CB-CB 4.33Å; D48-A51 WeakPolarHBondContact O-CB 3.25Å; D48-A51 PolarHBondContact O-N 2.88Å; A51-F53 HydrophobicContact CB-CE2 4.18Å; A51-F53 HydrophobicContact CB-CZ 4.17Å; A51-F53 VanDerWaalsContact O-CE2 3.29Å; A51-F53 WeakPolarHBondContact O-CE2 3.41Å; A51-V64 HydrophobicContact CB-CG1 4.18Å; A51-Q65 CarbonylContact C-O 3.45Å; A51-Q65 VanDerWaalsContact CA-O 3.25Å; A51-Q65 WeakPolarHBondContact CA-O 3.07Å; A51-F66 HydrophobicContact CB-CD1 4.38Å
52	S	97.3	Very high	96.4	Very high	49 Å²	49	75.3 Å²	75.3	34%	0.343	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	153	174.2	79.9	0	0	0	0	111.9	T50 V64 Q65	T50-S52 PolarHBondContact O-N 2.89Å; S52-V64 WeakPolarHBondContact O-CA 3.38Å; S52-Q65 PolarHBondContact N-O 3.24Å; S52-Q65 PolarHBondContact O-N 3.14Å; S52-Q65 WeakPolarHBondContact OG-CB 3.42Å
53	F	97.9	Very high	96.4	Very high	30 Å²	30	74.2 Å²	74.2	13%	0.132	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.4	-168.8	-59.2	-95.3	0	0	0	111.1	F40 E41 F44 K45 A51 Y55 V64	F40-F53 HydrophobicContact CD1-CD1 4.48Å; F40-F53 HydrophobicContact CE1-CD1 4.06Å; F40-F53 HydrophobicContact CE1-CE1 4.25Å; E41-F53 HydrophobicContact CB-CD2 4.33Å; E41-F53 HydrophobicContact CB-CE1 4.19Å; E41-F53 HydrophobicContact CB-CE2 3.92Å; E41-F53 HydrophobicContact CB-CZ 3.83Å; E41-F53 HydrophobicContact CG-CD1 3.94Å; E41-F53 HydrophobicContact CG-CD2 3.74Å; E41-F53 HydrophobicContact CG-CE1 4.01Å; E41-F53 HydrophobicContact CG-CE2 3.85Å; E41-F53 HydrophobicContact CG-CG 3.81Å; E41-F53 HydrophobicContact CG-CZ 3.97Å; E41-F53 WeakPolarHBondContact O-CZ 3.39Å; F44-F53 HydrophobicContact CB-CE1 3.69Å; F44-F53 HydrophobicContact CB-CZ 3.68Å; F44-F53 HydrophobicContact CD2-CE1 4.09Å; F44-F53 HydrophobicContact CG-CE1 4.07Å; K45-F53 HydrophobicContact CD-CE2 4.41Å; K45-F53 HydrophobicContact CG-CE2 4.09Å; K45-F53 HydrophobicContact CG-CZ 4.22Å; A51-F53 HydrophobicContact CB-CE2 4.18Å; A51-F53 HydrophobicContact CB-CZ 4.17Å; A51-F53 VanDerWaalsContact O-CE2 3.29Å; A51-F53 WeakPolarHBondContact O-CE2 3.41Å; F53-Y55 HydrophobicContact CB-CD2 4.47Å; F53-Y55 HydrophobicContact CB-CE2 3.68Å; F53-V64 HydrophobicContact CD1-CG1 4.3Å; F53-V64 HydrophobicContact CD1-CG2 3.89Å; F53-V64 HydrophobicContact CE1-CG1 3.93Å; F53-V64 HydrophobicContact CE1-CG2 3.96Å; F53-V64 HydrophobicContact CZ-CG1 4.35Å
54	H	96.9	Very high	96.4	Very high	103 Å²	103	71.5 Å²	71.5	48%	0.477	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	107.6	176.1	-55.2	-86.4	0	0	0	109.9	C62 R63	H54-C62 CarbonylContact O-C 3.54Å; H54-C62 WeakPolarHBondContact O-CA 3.37Å; H54-R63 HydrophobicContact CB-CB 4.22Å; H54-R63 PolarHBondContact N-O 3.46Å; H54-R63 PolarHBondContact O-N 3.4Å
55	Y	97.1	Very high	96.4	Very high	54 Å²	54	73.8 Å²	73.8	21%	0.212	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	132.5	-175.6	-65.8	-81.9	0	0	0	111.9	L30 F31 K37 F40 E41 F53 C62	L30-Y55 HydrophobicContact CD2-CD1 3.99Å; L30-Y55 HydrophobicContact CD2-CE1 3.7Å; F31-Y55 HydrophobicContact CD1-CD1 4.26Å; F31-Y55 AromaticContact CE1-CD1 3.88Å; F31-Y55 HydrophobicContact CE1-CD1 3.88Å; F31-Y55 HydrophobicContact CE1-CG 4.44Å; K37-Y55 HydrophobicContact CD-CE2 4.23Å; K37-Y55 HydrophobicContact CG-CE1 4.45Å; K37-Y55 HydrophobicContact CG-CE2 4.24Å; K37-Y55 WeakPolarHBondContact CG-OH 3.15Å; F40-Y55 HydrophobicContact CD1-CE1 4.23Å; F40-Y55 HydrophobicContact CE1-CE1 4.17Å; E41-Y55 VanDerWaalsContact CG-OH 3.26Å; E41-Y55 WeakPolarHBondContact CG-OH 3.48Å; E41-Y55 PolarHBondContact OE1-OH 3.41Å; F53-Y55 HydrophobicContact CB-CD2 4.47Å; F53-Y55 HydrophobicContact CB-CE2 3.68Å; Y55-C62 HydrophobicContact CD1-CB 3.95Å; Y55-C62 HydrophobicContact CE1-CB 4.02Å
56	L	95.7	Very high	96.4	Very high	83 Å²	83	70.6 Å²	70.6	44%	0.435	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	77.5	175.7	-61.6	176.6	0	0	0	108	T58 F59 R60 R61	L56-T58 PolarHBondContact O-N 3.38Å; L56-F59 HydrophobicContact CB-CB 4.39Å; L56-F59 HydrophobicContact CB-CD2 4.23Å; L56-F59 CarbonylContact O-C 3.55Å; L56-F59 PolarHBondContact O-N 3.08Å; L56-R60 PolarHBondContact O-N 3.48Å; L56-R60 VanDerWaalsContact O-N 3.11Å; L56-R61 HydrophobicContact CB-CB 4.27Å; L56-R61 PolarHBondContact N-O 3.21Å; L56-R61 PolarHBondContact O-N 2.81Å
57	S	93.7	Very high	96.4	Very high	62 Å²	62	75 Å²	75	43%	0.434	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-56.7	-45.9	-170.5	55.1	0	0	0	0	113.1	F59 R60	S57-F59 PolarHBondContact O-N 2.92Å; S57-F59 VanDerWaalsContact O-N 3.15Å; S57-R60 PolarHBondContact O-N 3.22Å
58	T	94	Very high	96.3	Very high	127 Å²	127	73.2 Å²	73.2	78%	0.779	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-56	-33.6	177.6	-47.4	0	0	0	0	112.5	L56	L56-T58 PolarHBondContact O-N 3.38Å
59	F	94.4	Very high	96.2	Very high	137 Å²	137	74.3 Å²	74.3	60%	0.601	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-95.4	-2.6	-178.8	-61.7	-72.6	0	0	0	113.4	L56 S57 R61	L56-F59 HydrophobicContact CB-CB 4.39Å; L56-F59 HydrophobicContact CB-CD2 4.23Å; L56-F59 CarbonylContact O-C 3.55Å; L56-F59 PolarHBondContact O-N 3.08Å; S57-F59 PolarHBondContact O-N 2.92Å; S57-F59 VanDerWaalsContact O-N 3.15Å; F59-R61 VanDerWaalsContact C-N 3.25Å; F59-R61 HydrophobicContact CB-CB 4.36Å; F59-R61 HydrophobicContact CB-CG 4.17Å; F59-R61 WeakPolarHBondContact O-CG 3.49Å; F59-R61 PolarHBondContact O-N 3.42Å
60	R	95.7	Very high	96.1	Very high	114 Å²	114	71 Å²	71	43%	0.43	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	44.4	-171.4	-56.8	-174.4	-174.6	-158.6	-2	112.6	L26 M28 F31 L56 S57	L26-R60 PolarHBondContact N-O 3.24Å; M28-R60 VanDerWaalsContact CG-NH2 3.28Å; M28-R60 HydrophobicContact SD-CG 3.76Å; M28-R60 VanDerWaalsContact SD-CZ 3.54Å; M28-R60 PolarHBondContact SD-NE 3.2Å; F31-R60 HydrophobicContact CE2-CB 4.44Å; L56-R60 PolarHBondContact O-N 3.48Å; L56-R60 VanDerWaalsContact O-N 3.11Å; S57-R60 PolarHBondContact O-N 3.22Å
61	R	97.5	Very high	96.1	Very high	116 Å²	116	71.9 Å²	71.9	44%	0.438	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	155	-176.7	-69.1	173.9	-165.7	-171.4	0.7	111.8	I22 V23 T24 L56 F59	I22-R61 HydrophobicContact CG2-CB 4.47Å; I22-R61 HydrophobicContact CG2-CG 4.43Å; V23-R61 WeakPolarHBondContact O-CA 3.45Å; T24-R61 HydrophobicContact CG2-CG 4.04Å; L56-R61 HydrophobicContact CB-CB 4.27Å; L56-R61 PolarHBondContact N-O 3.21Å; L56-R61 PolarHBondContact O-N 2.81Å; F59-R61 VanDerWaalsContact C-N 3.25Å; F59-R61 HydrophobicContact CB-CB 4.36Å; F59-R61 HydrophobicContact CB-CG 4.17Å; F59-R61 WeakPolarHBondContact O-CG 3.49Å; F59-R61 PolarHBondContact O-N 3.42Å
62	C	97.6	Very high	96.1	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	130.3	167.2	-177.5	0	0	0	0	108.6	V23 L26 F40 H54 Y55	V23-C62 PolarHBondContact N-O 2.87Å; V23-C62 PolarHBondContact O-N 2.74Å; L26-C62 HydrophobicContact CD1-CB 3.56Å; F40-C62 HydrophobicContact CE1-CB 4.06Å; F40-C62 HydrophobicContact CZ-CB 4.12Å; H54-C62 CarbonylContact O-C 3.54Å; H54-C62 WeakPolarHBondContact O-CA 3.37Å; Y55-C62 HydrophobicContact CD1-CB 3.95Å; Y55-C62 HydrophobicContact CE1-CB 4.02Å
63	R	97.2	Very high	96	Very high	95 Å²	95	71.1 Å²	71.1	36%	0.358	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	123.8	165.2	176.3	175.8	177.2	179.6	-3.7	108.2	L21 I22 H54	L21-R63 CarbonylContact O-C 3.57Å; L21-R63 WeakPolarHBondContact O-CA 3.14Å; I22-R63 HydrophobicContact CD1-CB 3.63Å; I22-R63 HydrophobicContact CD1-CG 3.77Å; H54-R63 HydrophobicContact CB-CB 4.22Å; H54-R63 PolarHBondContact N-O 3.46Å; H54-R63 PolarHBondContact O-N 3.4Å
64	V	97.7	Very high	95.9	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.4	175.5	-172.7	0	0	0	0	107.5	S20 L21 V23 F44 A51 S52 F53 F66	S20-V64 CarbonylContact C-O 3.14Å; S20-V64 VanDerWaalsContact CA-O 3.22Å; S20-V64 WeakPolarHBondContact CA-O 3.29Å; S20-V64 VanDerWaalsContact CB-O 3.25Å; S20-V64 WeakPolarHBondContact CB-O 3.34Å; L21-V64 PolarHBondContact N-O 2.96Å; L21-V64 PolarHBondContact O-N 2.97Å; V23-V64 HydrophobicContact CG2-CG2 3.82Å; F44-V64 HydrophobicContact CB-CG1 4.14Å; F44-V64 HydrophobicContact CD1-CB 4.42Å; F44-V64 HydrophobicContact CD1-CG1 4.02Å; F44-V64 HydrophobicContact CD1-CG2 4.15Å; F44-V64 HydrophobicContact CD2-CG2 4.45Å; F44-V64 HydrophobicContact CE1-CG2 4.25Å; F44-V64 HydrophobicContact CG-CG1 4.17Å; F44-V64 HydrophobicContact CG-CG2 4.24Å; F44-V64 HydrophobicContact CZ-CG2 4.48Å; A51-V64 HydrophobicContact CB-CG1 4.18Å; S52-V64 WeakPolarHBondContact O-CA 3.38Å; F53-V64 HydrophobicContact CD1-CG1 4.3Å; F53-V64 HydrophobicContact CD1-CG2 3.89Å; F53-V64 HydrophobicContact CE1-CG1 3.93Å; F53-V64 HydrophobicContact CE1-CG2 3.96Å; F53-V64 HydrophobicContact CZ-CG1 4.35Å; V64-F66 HydrophobicContact CB-CE2 3.96Å; V64-F66 HydrophobicContact CB-CZ 4.13Å; V64-F66 HydrophobicContact CG1-CD2 4.36Å; V64-F66 HydrophobicContact CG1-CE1 4.04Å; V64-F66 HydrophobicContact CG1-CE2 3.69Å; V64-F66 HydrophobicContact CG1-CZ 3.52Å
65	Q	96.9	Very high	96	Very high	48 Å²	48	66.3 Å²	66.3	22%	0.224	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.8	177.6	-177.2	65.5	54.3	0	0	108.5	S19 S20 A51 S52	S19-Q65 PolarHBondContact O-NE2 3.04Å; S19-Q65 PolarHBondContact OG-NE2 2.9Å; S20-Q65 VanDerWaalsContact CB-OE1 3.25Å; A51-Q65 CarbonylContact C-O 3.45Å; A51-Q65 VanDerWaalsContact CA-O 3.25Å; A51-Q65 WeakPolarHBondContact CA-O 3.07Å; S52-Q65 PolarHBondContact N-O 3.24Å; S52-Q65 PolarHBondContact O-N 3.14Å; S52-Q65 WeakPolarHBondContact OG-CB 3.42Å
66	F	96.9	Very high	95.9	Very high	7 Å²	7	67.3 Å²	67.3	3%	0.031	32%	0.32	C	S	.	.			trans	-103	165.3	177.7	-57.6	-93.2	0	0	0	110	S19 L21 F44 D48 A51 V64 G68 R71 A72 A75	S19-F66 WeakPolarHBondContact O-CB 3.45Å; S19-F66 WeakPolarHBondContact O-CD2 3.45Å; S19-F66 PolarHBondContact O-N 2.84Å; L21-F66 HydrophobicContact CB-CE2 4.04Å; L21-F66 HydrophobicContact CD1-CE2 3.71Å; L21-F66 HydrophobicContact CD1-CZ 3.91Å; L21-F66 HydrophobicContact CG-CE2 3.69Å; L21-F66 HydrophobicContact CG-CZ 4.4Å; F44-F66 HydrophobicContact CD1-CE1 4.33Å; F44-F66 AromaticContact CD1-CZ 3.8Å; F44-F66 HydrophobicContact CD1-CZ 3.8Å; F44-F66 HydrophobicContact CE1-CZ 4.44Å; D48-F66 HydrophobicContact CB-CD1 3.76Å; D48-F66 HydrophobicContact CB-CE1 4.47Å; D48-F66 WeakPolarHBondContact OD2-CA 3.43Å; A51-F66 HydrophobicContact CB-CD1 4.38Å; V64-F66 HydrophobicContact CB-CE2 3.96Å; V64-F66 HydrophobicContact CB-CZ 4.13Å; V64-F66 HydrophobicContact CG1-CD2 4.36Å; V64-F66 HydrophobicContact CG1-CE1 4.04Å; V64-F66 HydrophobicContact CG1-CE2 3.69Å; V64-F66 HydrophobicContact CG1-CZ 3.52Å; F66-G68 PolarHBondContact O-N 3.15Å; F66-R71 HydrophobicContact CB-CB 4.07Å; F66-R71 HydrophobicContact CD1-CB 4.18Å; F66-R71 HydrophobicContact CG-CB 4.41Å; F66-A72 HydrophobicContact CB-CB 4.32Å; F66-A72 HydrophobicContact CD2-CB 3.57Å; F66-A72 HydrophobicContact CE2-CB 4.13Å; F66-A72 HydrophobicContact CG-CB 4.07Å; F66-A75 HydrophobicContact CD1-CB 4.5Å; F66-A75 HydrophobicContact CE1-CB 3.53Å; F66-A75 HydrophobicContact CE2-CB 4.36Å; F66-A75 HydrophobicContact CZ-CB 3.44Å; F66-A75 VanDerWaalsContact CZ-CB 3.44Å
67	R	95.7	Very high	96	Very high	214 Å²	214	69.3 Å²	69.3	81%	0.808	33%	0.33	S	S	*	.	S	Bend	trans	-62.5	-29.9	173.1	178.9	-178.4	154.6	108.9	3.5	112.8	D48	D48-R67 WeakPolarHBondContact OD2-CB 3.38Å; D48-R67 PolarHBondContact OD2-N 2.93Å
68	G	93.8	Very high	96.1	Very high	16 Å²	16	72.1 Å²	72.1	17%	0.165	34%	0.336	C	S	.	.	S	Bend	trans	-158.3	164.9	-174.1	0	0	0	0	0	113.5	F66 D70 R71 A72	F66-G68 PolarHBondContact O-N 3.15Å; G68-D70 VanDerWaalsContact C-N 3.29Å; G68-D70 WeakPolarHBondContact CA-OD1 3.49Å; G68-D70 PolarHBondContact O-N 3.31Å; G68-R71 PolarHBondContact O-N 2.87Å; G68-A72 PolarHBondContact O-N 2.74Å; G68-A72 VanDerWaalsContact O-N 3.14Å
69	A	94.1	Very high	96.2	Very high	29 Å²	29	66.7 Å²	66.7	24%	0.24	30%	0.303	C	S	.	.	H	α-helix	trans	-66.7	-30.9	179.6	0	0	0	0	0	113	L17 A72 T73	L17-A69 HydrophobicContact CB-CB 3.79Å; L17-A69 WeakPolarHBondContact O-CB 3.25Å; A69-A72 PolarHBondContact O-N 3.48Å; A69-T73 VanDerWaalsContact O-CB 3.29Å; A69-T73 WeakPolarHBondContact O-CB 3.22Å; A69-T73 PolarHBondContact O-N 2.93Å; A69-T73 PolarHBondContact O-OG1 2.89Å
70	D	94.7	Very high	96.3	Very high	106 Å²	106	61.7 Å²	61.7	57%	0.567	28%	0.282	S	S	*	.	H	α-helix	trans	-58.5	-49.5	173.6	64.3	-41.1	0	0	0	111.2	G68 T73 A74	G68-D70 VanDerWaalsContact C-N 3.29Å; G68-D70 WeakPolarHBondContact CA-OD1 3.49Å; G68-D70 PolarHBondContact O-N 3.31Å; D70-T73 PolarHBondContact O-N 2.8Å; D70-A74 WeakPolarHBondContact O-CB 3.34Å; D70-A74 PolarHBondContact O-N 2.84Å
71	R	96.7	Very high	96.4	Very high	113 Å²	113	62.5 Å²	62.5	43%	0.426	29%	0.289	S	S	.	.	H	α-helix	trans	-67.4	-41.9	178.2	-63.1	-56.7	-176.9	113.8	1.3	111.9	M47 D48 F66 G68 T73 A74 A75	M47-R71 PolarHBondContact O-NH1 3.23Å; D48-R71 HydrophobicContact CB-CB 4.2Å; D48-R71 HydrophobicContact CB-CG 4.34Å; F66-R71 HydrophobicContact CB-CB 4.07Å; F66-R71 HydrophobicContact CD1-CB 4.18Å; F66-R71 HydrophobicContact CG-CB 4.41Å; G68-R71 PolarHBondContact O-N 2.87Å; R71-T73 VanDerWaalsContact C-N 3.31Å; R71-T73 PolarHBondContact O-N 2.81Å; R71-A74 PolarHBondContact O-N 2.95Å; R71-A75 VanDerWaalsContact O-CB 3.27Å; R71-A75 WeakPolarHBondContact O-CB 3.33Å; R71-A75 PolarHBondContact O-N 2.76Å
72	A	96.3	Very high	96.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.4	-40.6	175.1	0	0	0	0	0	111.8	F66 G68 A69 R76 F93	F66-A72 HydrophobicContact CB-CB 4.32Å; F66-A72 HydrophobicContact CD2-CB 3.57Å; F66-A72 HydrophobicContact CE2-CB 4.13Å; F66-A72 HydrophobicContact CG-CB 4.07Å; G68-A72 PolarHBondContact O-N 2.74Å; G68-A72 VanDerWaalsContact O-N 3.14Å; A69-A72 PolarHBondContact O-N 3.48Å; A72-R76 WeakPolarHBondContact O-CB 3.16Å; A72-R76 PolarHBondContact O-N 3.12Å; A72-F93 HydrophobicContact CB-CE1 4.25Å
73	T	95.9	Very high	96.3	Very high	39 Å²	39	69 Å²	69	24%	0.239	32%	0.318	C	S	.	.	H	α-helix	trans	-67.1	-47.2	177.4	-58.6	0	0	0	0	111.2	A69 D70 R71 A75 R76 I77	A69-T73 VanDerWaalsContact O-CB 3.29Å; A69-T73 WeakPolarHBondContact O-CB 3.22Å; A69-T73 PolarHBondContact O-N 2.93Å; A69-T73 PolarHBondContact O-OG1 2.89Å; D70-T73 PolarHBondContact O-N 2.8Å; R71-T73 VanDerWaalsContact C-N 3.31Å; R71-T73 PolarHBondContact O-N 2.81Å; T73-A75 PolarHBondContact O-N 2.81Å; T73-R76 PolarHBondContact O-N 3.03Å; T73-I77 HydrophobicContact CG2-CD1 4Å; T73-I77 WeakPolarHBondContact O-CG1 3.22Å; T73-I77 PolarHBondContact O-N 2.86Å
74	A	96.3	Very high	96.2	Very high	33 Å²	33	65 Å²	65	27%	0.273	30%	0.303	S	S	.	.	H	α-helix	trans	-58.3	-48	175.1	0	0	0	0	0	111.2	D70 R71 R76 I77 H78	D70-A74 WeakPolarHBondContact O-CB 3.34Å; D70-A74 PolarHBondContact O-N 2.84Å; R71-A74 PolarHBondContact O-N 2.95Å; A74-R76 VanDerWaalsContact C-N 3.31Å; A74-R76 PolarHBondContact O-N 3.23Å; A74-I77 PolarHBondContact O-N 3Å; A74-H78 PolarHBondContact O-N 3.28Å; A74-H78 PolarHBondContact O-ND1 2.73Å
75	A	97.2	Very high	96	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-59.6	-41.3	177.3	0	0	0	0	0	111.8	L21 M47 F66 R71 T73 H78 L79	L21-A75 HydrophobicContact CD1-CB 4.06Å; M47-A75 HydrophobicContact CB-CB 4.09Å; M47-A75 HydrophobicContact CG-CB 4.03Å; F66-A75 HydrophobicContact CD1-CB 4.5Å; F66-A75 HydrophobicContact CE1-CB 3.53Å; F66-A75 HydrophobicContact CE2-CB 4.36Å; F66-A75 HydrophobicContact CZ-CB 3.44Å; F66-A75 VanDerWaalsContact CZ-CB 3.44Å; R71-A75 VanDerWaalsContact O-CB 3.27Å; R71-A75 WeakPolarHBondContact O-CB 3.33Å; R71-A75 PolarHBondContact O-N 2.76Å; T73-A75 PolarHBondContact O-N 2.81Å; A75-H78 PolarHBondContact O-N 2.97Å; A75-L79 HydrophobicContact CB-CD1 4.28Å; A75-L79 WeakPolarHBondContact O-CA 3.21Å; A75-L79 WeakPolarHBondContact O-CB 3.21Å; A75-L79 WeakPolarHBondContact O-CG 3.49Å; A75-L79 PolarHBondContact O-N 3.32Å
76	R	96.5	Very high	95.9	Very high	74 Å²	74	70.9 Å²	70.9	28%	0.279	35%	0.351	S	S	.	.	H	α-helix	trans	-62.6	-45.4	176	-175.2	172.9	178.5	172.5	-4.9	111.9	L21 A72 T73 A74 H78 D80 C91 F93	L21-R76 HydrophobicContact CD1-CB 4.02Å; L21-R76 HydrophobicContact CD2-CB 4.03Å; L21-R76 HydrophobicContact CD2-CG 4.43Å; A72-R76 WeakPolarHBondContact O-CB 3.16Å; A72-R76 PolarHBondContact O-N 3.12Å; T73-R76 PolarHBondContact O-N 3.03Å; A74-R76 VanDerWaalsContact C-N 3.31Å; A74-R76 PolarHBondContact O-N 3.23Å; R76-H78 VanDerWaalsContact C-N 3.31Å; R76-H78 PolarHBondContact O-N 3.11Å; R76-D80 WeakPolarHBondContact O-CB 3.35Å; R76-D80 PolarHBondContact O-N 3.4Å; R76-D80 VanDerWaalsContact O-N 3.08Å; R76-C91 HydrophobicContact CG-CB 4.37Å; R76-C91 PolarHBondContact NE-O 3.26Å; R76-F93 HydrophobicContact CB-CZ 4.44Å
77	I	96.6	Very high	95.8	Very high	126 Å²	126	74.9 Å²	74.9	65%	0.646	37%	0.368	S	S	*	.	H	α-helix	trans	-60.7	-41.3	179.7	-68.7	166.2	0	0	0	111.2	T73 A74	T73-I77 HydrophobicContact CG2-CD1 4Å; T73-I77 WeakPolarHBondContact O-CG1 3.22Å; T73-I77 PolarHBondContact O-N 2.86Å; A74-I77 PolarHBondContact O-N 3Å
78	H	96.1	Very high	95.9	Very high	120 Å²	120	67.1 Å²	67.1	56%	0.556	35%	0.345	S	S	*	.	H	α-helix	trans	-87	-33.8	-174.7	-66.3	87.8	0	0	0	113.9	M47 A74 A75 R76 T82	M47-H78 HydrophobicContact SD-CB 4.2Å; A74-H78 PolarHBondContact O-N 3.28Å; A74-H78 PolarHBondContact O-ND1 2.73Å; A75-H78 PolarHBondContact O-N 2.97Å; R76-H78 VanDerWaalsContact C-N 3.31Å; R76-H78 PolarHBondContact O-N 3.11Å; H78-T82 WeakPolarHBondContact O-CG2 3.22Å
79	L	96.9	Very high	96	Very high	14 Å²	14	66.4 Å²	66.4	7%	0.073	34%	0.337	C	S	.	.	H	α-helix	trans	-104.6	-15.2	-169.1	-56.7	175.3	0	0	0	113.6	L43 F44 M47 A75 T82	L43-L79 HydrophobicContact CB-CD2 4.39Å; F44-L79 HydrophobicContact CD1-CD1 3.38Å; F44-L79 HydrophobicContact CD2-CD1 4.3Å; F44-L79 HydrophobicContact CE1-CB 4.31Å; F44-L79 HydrophobicContact CE1-CD1 3.45Å; F44-L79 VanDerWaalsContact CE1-CD1 3.45Å; F44-L79 HydrophobicContact CE2-CD1 4.32Å; F44-L79 HydrophobicContact CG-CD1 3.84Å; F44-L79 HydrophobicContact CZ-CB 4.4Å; F44-L79 HydrophobicContact CZ-CD1 3.93Å; M47-L79 HydrophobicContact CG-CD1 4.02Å; A75-L79 HydrophobicContact CB-CD1 4.28Å; A75-L79 WeakPolarHBondContact O-CA 3.21Å; A75-L79 WeakPolarHBondContact O-CB 3.21Å; A75-L79 WeakPolarHBondContact O-CG 3.49Å; A75-L79 PolarHBondContact O-N 3.32Å; L79-T82 HydrophobicContact CD2-CG2 4.37Å; L79-T82 WeakPolarHBondContact O-CB 3.38Å; L79-T82 WeakPolarHBondContact O-CG2 3.44Å; L79-T82 PolarHBondContact O-N 3.41Å; L79-T82 PolarHBondContact O-OG1 3.2Å
80	D	96.9	Very high	96.2	Very high	32 Å²	32	68.2 Å²	68.2	17%	0.171	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	138.9	172.6	-163.7	26	0	0	0	110.3	R76 T82 R90 C91	R76-D80 WeakPolarHBondContact O-CB 3.35Å; R76-D80 PolarHBondContact O-N 3.4Å; R76-D80 VanDerWaalsContact O-N 3.08Å; D80-T82 PolarHBondContact O-N 2.84Å; D80-R90 WeakPolarHBondContact OD1-CA 3.4Å; D80-R90 IonicContact OD1-CZ 2.73Å; D80-R90 IonicContact OD1-NH1 3.22Å; D80-R90 PolarHBondContact OD1-NH1 2.86Å; D80-R90 IonicContact OD2-CZ 2.77Å; D80-R90 IonicContact OD2-NH1 2.79Å; D80-R90 PolarHBondContact OD2-NH1 3.01Å; D80-C91 HydrophobicContact CB-CB 4.07Å; D80-C91 PolarHBondContact OD1-N 3.39Å
81	F	97	Very high	96.3	Very high	130 Å²	130	63.2 Å²	63.2	57%	0.57	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	12.7	-173.3	-59.8	-78.1	0	0	0	116.8	V88 L89 R90	F81-V88 HydrophobicContact CB-CG1 4.2Å; F81-V88 HydrophobicContact CD1-CG1 4.03Å; F81-L89 WeakPolarHBondContact CA-O 3.48Å; F81-L89 PolarHBondContact N-O 3.19Å; F81-R90 VanDerWaalsContact CE1-NH1 3.32Å; F81-R90 VanDerWaalsContact CZ-CZ 3.46Å
82	T	96	Very high	96.3	Very high	38 Å²	38	61.6 Å²	61.6	23%	0.233	31%	0.307	C	S	.	.			trans	-66.4	143.6	172.9	52.7	0	0	0	0	111.8	H78 L79 D80 L89	H78-T82 WeakPolarHBondContact O-CG2 3.22Å; L79-T82 HydrophobicContact CD2-CG2 4.37Å; L79-T82 WeakPolarHBondContact O-CB 3.38Å; L79-T82 WeakPolarHBondContact O-CG2 3.44Å; L79-T82 PolarHBondContact O-N 3.41Å; L79-T82 PolarHBondContact O-OG1 3.2Å; D80-T82 PolarHBondContact O-N 2.84Å; T82-L89 PolarHBondContact O-N 2.81Å
83	R	96.3	Very high	96.3	Very high	215 Å²	215	64.2 Å²	64.2	81%	0.811	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	122.4	174.4	-72.5	-177.2	-179.9	-132.7	1.6	109.5	K87 V88	R83-K87 CarbonylContact C-O 3.58Å; R83-K87 WeakPolarHBondContact CA-O 3.34Å; R83-V88 HydrophobicContact CG-CG2 4.14Å
84	F	95.7	Very high	96.1	Very high	12 Å²	12	63.1 Å²	63.1	5%	0.053	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	117.9	177.2	-176.7	-98.5	0	0	0	109.3	P27 L30 Q36 E39 F40 L43 G86 K87 L89	P27-F84 HydrophobicContact CG-CD1 3.92Å; P27-F84 HydrophobicContact CG-CE1 3.93Å; L30-F84 HydrophobicContact CD1-CD1 4.41Å; L30-F84 HydrophobicContact CD1-CE1 3.54Å; L30-F84 HydrophobicContact CD1-CZ 4.05Å; Q36-F84 WeakPolarHBondContact O-CZ 3.46Å; E39-F84 HydrophobicContact CB-CE2 4.29Å; F40-F84 HydrophobicContact CB-CE1 4.19Å; F40-F84 HydrophobicContact CB-CE2 3.97Å; F40-F84 HydrophobicContact CB-CZ 3.59Å; F40-F84 HydrophobicContact CD2-CD1 4.48Å; F40-F84 HydrophobicContact CD2-CE1 4.33Å; F40-F84 HydrophobicContact CD2-CZ 4.37Å; F40-F84 HydrophobicContact CG-CZ 4.47Å; L43-F84 HydrophobicContact CD1-CD2 3.72Å; L43-F84 HydrophobicContact CD1-CE2 4.16Å; F84-G86 VanDerWaalsContact C-N 3.26Å; F84-G86 PolarHBondContact O-N 3.28Å; F84-G86 VanDerWaalsContact O-N 3.15Å; F84-K87 PolarHBondContact N-O 3.39Å; F84-K87 PolarHBondContact O-N 3.48Å; F84-L89 HydrophobicContact CB-CD1 3.74Å; F84-L89 HydrophobicContact CB-CD2 4.06Å; F84-L89 HydrophobicContact CB-CG 3.8Å; F84-L89 HydrophobicContact CG-CD1 4.32Å
85	H	94.3	Very high	95.5	Very high	93 Å²	93	70.4 Å²	70.4	43%	0.431	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.9	48.2	-178.8	-73.1	-85.7	0	0	0	113.8	P27 E39 K87	P27-H85 HydrophobicContact CG-CB 4.27Å; E39-H85 IonicContact OE2-CD2 3.8Å; E39-H85 IonicContact OE2-CE1 3.54Å; E39-H85 IonicContact OE2-NE2 2.83Å; E39-H85 PolarHBondContact OE2-NE2 2.82Å; H85-K87 VanDerWaalsContact C-N 3.28Å; H85-K87 PolarHBondContact O-N 3.44Å
86	G	93.4	Very high	94.4	Very high	77 Å²	77	75.1 Å²	75.1	79%	0.794	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-1.3	177.5	0	0	0	0	0	115.8	F84	F84-G86 VanDerWaalsContact C-N 3.26Å; F84-G86 PolarHBondContact O-N 3.28Å; F84-G86 VanDerWaalsContact O-N 3.15Å
87	K	95.5	Very high	93.1	Very high	91 Å²	91	80.5 Å²	80.5	40%	0.396	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	149	173.2	-62.9	-64.6	-179.1	-179.5	0	110.9	N25 P27 R83 F84 H85	N25-K87 WeakPolarHBondContact O-CB 3.48Å; P27-K87 HydrophobicContact CB-CG 4.47Å; R83-K87 CarbonylContact C-O 3.58Å; R83-K87 WeakPolarHBondContact CA-O 3.34Å; F84-K87 PolarHBondContact N-O 3.39Å; F84-K87 PolarHBondContact O-N 3.48Å; H85-K87 VanDerWaalsContact C-N 3.28Å; H85-K87 PolarHBondContact O-N 3.44Å
88	V	97.1	Very high	91.7	Very high	52 Å²	52	79.3 Å²	79.3	32%	0.315	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.1	173.8	180	0	0	0	0	107.7	N25 F81 R83	N25-V88 PolarHBondContact ND2-O 2.87Å; F81-V88 HydrophobicContact CB-CG1 4.2Å; F81-V88 HydrophobicContact CD1-CG1 4.03Å; R83-V88 HydrophobicContact CG-CG2 4.14Å
89	L	97.3	Very high	90.1	Very high	0 Å²	0	77.7 Å²	77.7	0%	0	39%	0.394	C	S	.	.			trans	-70.1	147.7	178.4	-59.4	-174	0	0	0	110.5	V23 L26 F40 F81 T82 F84	V23-L89 HydrophobicContact CG1-CB 4.31Å; V23-L89 HydrophobicContact CG1-CD1 4.34Å; V23-L89 HydrophobicContact CG1-CD2 4.35Å; L26-L89 HydrophobicContact CD2-CD2 3.71Å; F40-L89 HydrophobicContact CD2-CD1 4.38Å; F40-L89 HydrophobicContact CE2-CD1 4.02Å; F81-L89 WeakPolarHBondContact CA-O 3.48Å; F81-L89 PolarHBondContact N-O 3.19Å; T82-L89 PolarHBondContact O-N 2.81Å; F84-L89 HydrophobicContact CB-CD1 3.74Å; F84-L89 HydrophobicContact CB-CD2 4.06Å; F84-L89 HydrophobicContact CB-CG 3.8Å; F84-L89 HydrophobicContact CG-CD1 4.32Å
90	R	97.5	Very high	88.5	Confident	68 Å²	68	84.8 Å²	84.8	26%	0.257	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.4	170.7	-65.1	-73.2	-67.3	137.7	1.7	109.1	V23 T24 D80 F81 F92	V23-R90 CarbonylContact C-O 3.58Å; V23-R90 WeakPolarHBondContact CA-O 3.34Å; T24-R90 PolarHBondContact N-O 2.97Å; T24-R90 PolarHBondContact O-N 3.06Å; T24-R90 WeakPolarHBondContact OG1-CB 3.31Å; D80-R90 WeakPolarHBondContact OD1-CA 3.4Å; D80-R90 IonicContact OD1-CZ 2.73Å; D80-R90 IonicContact OD1-NH1 3.22Å; D80-R90 PolarHBondContact OD1-NH1 2.86Å; D80-R90 IonicContact OD2-CZ 2.77Å; D80-R90 IonicContact OD2-NH1 2.79Å; D80-R90 PolarHBondContact OD2-NH1 3.01Å; F81-R90 VanDerWaalsContact CE1-NH1 3.32Å; F81-R90 VanDerWaalsContact CZ-CZ 3.46Å; R90-F92 HydrophobicContact CB-CD2 4.39Å; R90-F92 HydrophobicContact CB-CE2 3.5Å; R90-F92 VanDerWaalsContact CB-CE2 3.5Å; R90-F92 HydrophobicContact CB-CZ 3.89Å
91	C	97.4	Very high	86.8	Confident	0 Å²	0	87.7 Å²	87.7	0%	0	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.2	-175.5	-63.8	0	0	0	0	110	L21 R76 D80	L21-C91 HydrophobicContact CD1-CB 4.38Å; R76-C91 HydrophobicContact CG-CB 4.37Å; R76-C91 PolarHBondContact NE-O 3.26Å; D80-C91 HydrophobicContact CB-CB 4.07Å; D80-C91 PolarHBondContact OD1-N 3.39Å
92	F	96.4	Very high	85.1	Confident	80 Å²	80	88.3 Å²	88.3	35%	0.351	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.3	179.7	-57.5	-87	0	0	0	110.1	L21 I22 T24 R90 S94	L21-F92 CarbonylContact C-O 3.59Å; L21-F92 WeakPolarHBondContact CA-O 3.39Å; I22-F92 PolarHBondContact N-O 3.05Å; I22-F92 PolarHBondContact O-N 3.44Å; T24-F92 HydrophobicContact CG2-CD2 3.83Å; T24-F92 HydrophobicContact CG2-CE2 3.8Å; R90-F92 HydrophobicContact CB-CD2 4.39Å; R90-F92 HydrophobicContact CB-CE2 3.5Å; R90-F92 VanDerWaalsContact CB-CE2 3.5Å; R90-F92 HydrophobicContact CB-CZ 3.89Å; F92-S94 PolarHBondContact O-N 3.38Å
93	F	95.6	Very high	83.3	Confident	54 Å²	54	91.1 Å²	91.1	24%	0.237	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	134.8	169.1	-78.8	-48.8	0	0	0	110.7	P18 L21 A72 R76 Q95	P18-F93 HydrophobicContact CG-CB 3.52Å; P18-F93 HydrophobicContact CG-CD1 3.74Å; P18-F93 HydrophobicContact CG-CG 3.71Å; L21-F93 HydrophobicContact CD2-CD1 3.4Å; L21-F93 VanDerWaalsContact CD2-CD1 3.4Å; L21-F93 HydrophobicContact CD2-CE1 3.68Å; L21-F93 HydrophobicContact CD2-CG 4.2Å; A72-F93 HydrophobicContact CB-CE1 4.25Å; R76-F93 HydrophobicContact CB-CZ 4.44Å; F93-Q95 PolarHBondContact O-N 2.99Å
94	S	91.7	Very high	81.6	Confident	16 Å²	16	85.3 Å²	85.3	11%	0.112	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-69.5	127.5	172	-170.5	0	0	0	0	108.9	P18 S20 F92 V96	P18-S94 WeakPolarHBondContact CB-O 3.46Å; P18-S94 WeakPolarHBondContact CG-O 3.27Å; S20-S94 PolarHBondContact O-N 2.98Å; S20-S94 WeakPolarHBondContact OG-CB 3.4Å; F92-S94 PolarHBondContact O-N 3.38Å; S94-V96 PolarHBondContact O-N 3.15Å
95	Q	83.6	Confident	80.3	Confident	186 Å²	186	93.5 Å²	93.5	87%	0.869	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-73.1	121.8	169	-69	176.1	-11.3	0	0	108	F93	F93-Q95 PolarHBondContact O-N 2.99Å
96	V	73.9	Confident	79.4	Confident	100 Å²	100	96.2 Å²	96.2	61%	0.606	51%	0.505	S	S	*	.			trans	-84.4	112.3	165.6	-174.5	0	0	0	0	105.4	S94 T98	S94-V96 PolarHBondContact O-N 3.15Å; V96-T98 PolarHBondContact O-N 3.18Å
97	F	69.7	Low	78.7	Confident	186 Å²	186	99.3 Å²	99.3	82%	0.816	50%	0.497	S	S	*	.			trans	-81.5	93.5	168.9	-175.9	-97.3	0	0	0	107.2	P99	F97-P99 HydrophobicContact CE1-CB 3.98Å; F97-P99 HydrophobicContact CE1-CG 4.41Å; F97-P99 HydrophobicContact CZ-CB 4.41Å
98	T	67.7	Low	78	Confident	101 Å²	101	103.5 Å²	103.5	62%	0.62	52%	0.523	S	S	*	.			trans	-92.7	111	162.9	-44.6	0	0	0	0	105.4	V96 Q100	V96-T98 PolarHBondContact O-N 3.18Å; T98-Q100 PolarHBondContact O-N 3.49Å
99	P	63.1	Low	77.2	Confident	87 Å²	87	109.1 Å²	109.1	57%	0.565	54%	0.543	S	S	*	.			trans	-56	116.5	171.3	23.3	-30.2	0	0	0	107	F97 T101	F97-P99 HydrophobicContact CE1-CB 3.98Å; F97-P99 HydrophobicContact CE1-CG 4.41Å; F97-P99 HydrophobicContact CZ-CB 4.41Å; P99-T101 PolarHBondContact O-N 3.11Å
100	Q	61.8	Low	76.3	Confident	163 Å²	163	116.2 Å²	116.2	76%	0.762	58%	0.58	S	S	*	*			trans	-65.7	126.3	178.7	-64.8	-143.5	-73.6	0	0	107.9	T98 D102	T98-Q100 PolarHBondContact O-N 3.49Å; Q100-D102 PolarHBondContact O-N 3.05Å
101	T	62.3	Low	75.4	Confident	93 Å²	93	115.8 Å²	115.8	57%	0.571	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-73.6	-6.9	-178.7	43.3	0	0	0	0	113.1	P99 D103 D104	P99-T101 PolarHBondContact O-N 3.11Å; T101-D103 PolarHBondContact O-N 2.96Å; T101-D104 WeakPolarHBondContact O-CB 3.5Å; T101-D104 PolarHBondContact O-N 3.18Å; T101-D104 VanDerWaalsContact O-OD1 3.08Å
102	D	60.2	Low	74.6	Confident	143 Å²	143	122 Å²	122	77%	0.765	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-72.7	-13.8	-172.9	-69	-18.2	0	0	0	113.6	Q100	Q100-D102 PolarHBondContact O-N 3.05Å
103	D	58.4	Low	73.8	Confident	97 Å²	97	123.4 Å²	123.4	52%	0.519	63%	0.625	S	S	.	*	G	3₁₀ helix	trans	-101.4	34.9	171.1	-83.5	-28.2	0	0	0	112.4	T101 E105 H106 F107	T101-D103 PolarHBondContact O-N 2.96Å; D103-E105 PolarHBondContact O-N 3.22Å; D103-H106 PolarHBondContact O-N 3.3Å; D103-F107 HydrophobicContact CB-CD2 4.21Å; D103-F107 HydrophobicContact CB-CE2 3.81Å; D103-F107 VanDerWaalsContact O-CD2 3.29Å; D103-F107 WeakPolarHBondContact O-CD2 3.13Å
104	D	61.5	Low	72.9	Confident	92 Å²	92	126.1 Å²	126.1	49%	0.492	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	-55.6	-16.2	179.1	-88.3	-13.9	0	0	0	114.4	T101	T101-D104 WeakPolarHBondContact O-CB 3.5Å; T101-D104 PolarHBondContact O-N 3.18Å; T101-D104 VanDerWaalsContact O-OD1 3.08Å
105	E	68.9	Low	72.2	Confident	185 Å²	185	131 Å²	131	86%	0.864	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-21.5	175.2	-65.1	-161.3	155.6	0	0	113.8	D103	D103-E105 PolarHBondContact O-N 3.22Å
106	H	74.4	Confident	71.9	Confident	150 Å²	150	125 Å²	125	69%	0.694	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-11.1	-176.2	-69	-53.4	0	0	0	114.3	D103	D103-H106 PolarHBondContact O-N 3.3Å
107	F	79.5	Confident	72.2	Confident	141 Å²	141	121.7 Å²	121.7	62%	0.618	61%	0.607	S	S	*	*	S	Bend	trans	-109.2	149.2	178.3	-60.9	-75.3	0	0	0	111.9	D103 K109	D103-F107 HydrophobicContact CB-CD2 4.21Å; D103-F107 HydrophobicContact CB-CE2 3.81Å; D103-F107 VanDerWaalsContact O-CD2 3.29Å; D103-F107 WeakPolarHBondContact O-CD2 3.13Å; F107-K109 PolarHBondContact O-N 3.33Å
108	L	80.4	Confident	72.5	Confident	180 Å²	180	117 Å²	117	94%	0.942	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-63.1	122.3	171.8	-69.5	173.9	0	0	0	109.1
109	K	79.7	Confident	72.7	Confident	170 Å²	170	116.8 Å²	116.8	74%	0.739	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-60.7	145.2	173.6	-62.5	-170.4	177.2	-172.8	0	110	F107	F107-K109 PolarHBondContact O-N 3.33Å
110	L	78.9	Confident	73.1	Confident	149 Å²	149	118.3 Å²	118.3	78%	0.78	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-53.2	136.1	170.9	-74.4	164.7	0	0	0	109.5
111	P	78.9	Confident	73.6	Confident	58 Å²	58	116.3 Å²	116.3	38%	0.377	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-56	147.7	171.7	-22.5	31.9	0	0	0	110.3	K115 Q116	P111-K115 HydrophobicContact CB-CB 4.17Å; P111-Q116 HydrophobicContact CB-CG 4.14Å; P111-Q116 WeakPolarHBondContact O-CG 3.2Å; P111-Q116 PolarHBondContact O-NE2 3.26Å
112	Q	81.2	Confident	74.1	Confident	131 Å²	131	115.6 Å²	115.6	61%	0.612	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-52.1	144.1	169.6	-64.9	178.1	-41.6	0	0	109.9	E114 K115 Q116	Q112-E114 WeakPolarHBondContact CB-OE2 3.44Å; Q112-E114 PolarHBondContact O-N 2.99Å; Q112-K115 WeakPolarHBondContact O-CA 3.35Å; Q112-K115 WeakPolarHBondContact O-CB 3.36Å; Q112-K115 PolarHBondContact O-N 3.28Å; Q112-Q116 PolarHBondContact O-N 3.14Å
113	L	78.5	Confident	74.8	Confident	109 Å²	109	111.9 Å²	111.9	57%	0.571	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-49.6	-39.7	-172.8	-177.1	65.6	0	0	0	112.4	K115 Q116 F117	L113-K115 PolarHBondContact O-N 3.28Å; L113-Q116 WeakPolarHBondContact O-CB 3.4Å; L113-Q116 PolarHBondContact O-N 3.24Å; L113-Q116 VanDerWaalsContact O-N 3.14Å; L113-F117 HydrophobicContact CD1-CZ 4.29Å; L113-F117 HydrophobicContact CG-CE2 4.38Å; L113-F117 HydrophobicContact CG-CZ 4.48Å; L113-F117 WeakPolarHBondContact O-CD2 3.15Å; L113-F117 WeakPolarHBondContact O-CE2 3.49Å
114	E	76.6	Confident	75.9	Confident	111 Å²	111	112.4 Å²	112.4	52%	0.519	60%	0.595	S	S	.	*	G	3₁₀ helix	trans	-64.4	-27.3	-179.8	-52.7	80	-174.5	0	0	112.8	Q112 W129	Q112-E114 WeakPolarHBondContact CB-OE2 3.44Å; Q112-E114 PolarHBondContact O-N 2.99Å; E114-W129 WeakPolarHBondContact O-CZ2 3.27Å
115	K	76.5	Confident	76.9	Confident	118 Å²	118	111.1 Å²	111.1	51%	0.513	59%	0.592	S	S	.	*	G	3₁₀ helix	trans	-91.5	-13.3	178	-62.8	-173.4	179.5	-179.3	0	113	P111 Q112 L113 F117 L118	P111-K115 HydrophobicContact CB-CB 4.17Å; Q112-K115 WeakPolarHBondContact O-CA 3.35Å; Q112-K115 WeakPolarHBondContact O-CB 3.36Å; Q112-K115 PolarHBondContact O-N 3.28Å; L113-K115 PolarHBondContact O-N 3.28Å; K115-F117 PolarHBondContact O-N 2.81Å; K115-L118 PolarHBondContact O-N 3.06Å; K115-L118 VanDerWaalsContact O-N 3.14Å
116	Q	78.7	Confident	77.7	Confident	62 Å²	62	106 Å²	106	29%	0.29	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-69.4	-16.1	179.3	-66.3	-177.9	-18.6	0	0	112.7	P111 Q112 L113 L118 I119	P111-Q116 HydrophobicContact CB-CG 4.14Å; P111-Q116 WeakPolarHBondContact O-CG 3.2Å; P111-Q116 PolarHBondContact O-NE2 3.26Å; Q112-Q116 PolarHBondContact O-N 3.14Å; L113-Q116 WeakPolarHBondContact O-CB 3.4Å; L113-Q116 PolarHBondContact O-N 3.24Å; L113-Q116 VanDerWaalsContact O-N 3.14Å; Q116-L118 VanDerWaalsContact C-N 3.31Å; Q116-I119 WeakPolarHBondContact O-CG1 3.45Å
117	F	79.2	Confident	78.3	Confident	29 Å²	29	106.5 Å²	106.5	13%	0.127	59%	0.589	C	S	.	*	G	3₁₀ helix	trans	-86	-2.4	174.4	-50.2	-67.6	0	0	0	113.5	L113 K115 P122 P125 P126 W129	L113-F117 HydrophobicContact CD1-CZ 4.29Å; L113-F117 HydrophobicContact CG-CE2 4.38Å; L113-F117 HydrophobicContact CG-CZ 4.48Å; L113-F117 WeakPolarHBondContact O-CD2 3.15Å; L113-F117 WeakPolarHBondContact O-CE2 3.49Å; K115-F117 PolarHBondContact O-N 2.81Å; F117-P122 WeakPolarHBondContact O-CB 3.37Å; F117-P125 HydrophobicContact CB-CB 4.35Å; F117-P125 HydrophobicContact CD1-CB 3.96Å; F117-P125 HydrophobicContact CE1-CB 4.43Å; F117-P125 HydrophobicContact CG-CB 4.01Å; F117-P126 HydrophobicContact CZ-CG 4.23Å; F117-W129 HydrophobicContact CB-CH2 4.26Å; F117-W129 HydrophobicContact CB-CZ2 4.07Å; F117-W129 AromaticContact CD2-CD1 3.87Å; F117-W129 HydrophobicContact CD2-CD2 4.25Å; F117-W129 AromaticContact CD2-CE2 3.71Å; F117-W129 HydrophobicContact CD2-CG 4.35Å; F117-W129 HydrophobicContact CD2-CZ2 4.17Å; F117-W129 AromaticContact CD2-NE1 3.46Å; F117-W129 AromaticContact CE2-CD1 3.95Å; F117-W129 AromaticContact CE2-NE1 3.91Å
118	L	75.8	Confident	78.6	Confident	89 Å²	89	103.4 Å²	103.4	47%	0.466	60%	0.596	S	S	.	*	G	3₁₀ helix	trans	-104	0.5	179.2	-60.6	179.1	0	0	0	113.2	K115 Q116 W129 Q131	K115-L118 PolarHBondContact O-N 3.06Å; K115-L118 VanDerWaalsContact O-N 3.14Å; Q116-L118 VanDerWaalsContact C-N 3.31Å; L118-W129 HydrophobicContact CD2-CH2 4Å; L118-Q131 HydrophobicContact CD2-CG 4.17Å
119	I	72.3	Confident	78.8	Confident	96 Å²	96	98.2 Å²	98.2	49%	0.492	56%	0.564	S	S	.	*	S	Bend	trans	-95.4	146.8	177.3	58.7	164.4	0	0	0	111	Q116 P121 P122	Q116-I119 WeakPolarHBondContact O-CG1 3.45Å; I119-P121 CarbonylContact O-C 3.1Å; I119-P122 WeakPolarHBondContact O-CA 3.45Å; I119-P122 WeakPolarHBondContact O-CB 3.19Å; I119-P122 VanDerWaalsContact O-CD 3.27Å; I119-P122 WeakPolarHBondContact O-CD 3.4Å
120	S	72.4	Confident	79	Confident	118 Å²	118	98.2 Å²	98.2	83%	0.825	57%	0.566	S	S	*	*	S	Bend	trans	-90.8	130.7	-179.5	59.7	0	0	0	0	112.4
121	P	72.3	Confident	79	Confident	122 Å²	122	96.4 Å²	96.4	79%	0.792	55%	0.554	S	S	*	*	S	Bend	cis	-78.5	136.1	-13.2	31.7	-31.2	0	0	0	111	I119	I119-P121 CarbonylContact O-C 3.1Å
122	P	71.3	Confident	78.9	Confident	78 Å²	78	97.6 Å²	97.6	51%	0.506	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-75.9	144.1	-177.9	29.5	-33.6	0	0	0	110.3	F117 I119	F117-P122 WeakPolarHBondContact O-CB 3.37Å; I119-P122 WeakPolarHBondContact O-CA 3.45Å; I119-P122 WeakPolarHBondContact O-CB 3.19Å; I119-P122 VanDerWaalsContact O-CD 3.27Å; I119-P122 WeakPolarHBondContact O-CD 3.4Å
123	A	76.2	Confident	78.8	Confident	64 Å²	64	103 Å²	103	53%	0.529	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-60.9	150.4	159.4	0	0	0	0	0	108.9	P125	A123-P125 WeakPolarHBondContact O-CD 3.36Å
124	S	81.8	Confident	78.7	Confident	108 Å²	108	105.5 Å²	105.5	76%	0.755	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-58.6	124.9	172.9	52.5	0	0	0	0	109.4
125	P	82.2	Confident	78.5	Confident	65 Å²	65	104.8 Å²	104.8	42%	0.422	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-66	150.5	179.4	27	-33.3	0	0	0	110.8	F117 A123 W129	F117-P125 HydrophobicContact CB-CB 4.35Å; F117-P125 HydrophobicContact CD1-CB 3.96Å; F117-P125 HydrophobicContact CE1-CB 4.43Å; F117-P125 HydrophobicContact CG-CB 4.01Å; A123-P125 WeakPolarHBondContact O-CD 3.36Å; P125-W129 HydrophobicContact CB-CB 3.95Å; P125-W129 HydrophobicContact CB-CD2 3.95Å; P125-W129 HydrophobicContact CB-CE3 3.83Å; P125-W129 HydrophobicContact CB-CG 4.02Å; P125-W129 HydrophobicContact CG-CE3 4.29Å
126	P	84.5	Confident	78.4	Confident	78 Å²	78	107.5 Å²	107.5	51%	0.506	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-65.9	157.5	177.7	26.4	-32.2	0	0	0	111.5	F117 G128 W129	F117-P126 HydrophobicContact CZ-CG 4.23Å; P126-G128 PolarHBondContact O-N 2.95Å; P126-W129 HydrophobicContact CG-CB 4.12Å; P126-W129 VanDerWaalsContact O-CB 3.31Å; P126-W129 WeakPolarHBondContact O-CB 3.29Å; P126-W129 PolarHBondContact O-N 2.95Å
127	V	87.6	Confident	78.1	Confident	161 Å²	161	110.8 Å²	110.8	98%	0.976	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	126.6	178.1	179.8	0	0	0	0	109.7
128	G	86.2	Confident	77.5	Confident	75 Å²	75	112.5 Å²	112.5	77%	0.773	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	89.2	0.7	-178.7	0	0	0	0	0	115	P126 E130	P126-G128 PolarHBondContact O-N 2.95Å; G128-E130 PolarHBondContact O-N 3.48Å
129	W	84.2	Confident	77.3	Confident	72 Å²	72	115.5 Å²	115.5	27%	0.273	68%	0.677	S	S	.	*			trans	-70.1	130.6	170.7	-174	90.6	0	0	0	110.5	E114 F117 L118 P125 P126 Q131	E114-W129 WeakPolarHBondContact O-CZ2 3.27Å; F117-W129 HydrophobicContact CB-CH2 4.26Å; F117-W129 HydrophobicContact CB-CZ2 4.07Å; F117-W129 AromaticContact CD2-CD1 3.87Å; F117-W129 HydrophobicContact CD2-CD2 4.25Å; F117-W129 AromaticContact CD2-CE2 3.71Å; F117-W129 HydrophobicContact CD2-CG 4.35Å; F117-W129 HydrophobicContact CD2-CZ2 4.17Å; F117-W129 AromaticContact CD2-NE1 3.46Å; F117-W129 AromaticContact CE2-CD1 3.95Å; F117-W129 AromaticContact CE2-NE1 3.91Å; L118-W129 HydrophobicContact CD2-CH2 4Å; P125-W129 HydrophobicContact CB-CB 3.95Å; P125-W129 HydrophobicContact CB-CD2 3.95Å; P125-W129 HydrophobicContact CB-CE3 3.83Å; P125-W129 HydrophobicContact CB-CG 4.02Å; P125-W129 HydrophobicContact CG-CE3 4.29Å; P126-W129 HydrophobicContact CG-CB 4.12Å; P126-W129 VanDerWaalsContact O-CB 3.31Å; P126-W129 WeakPolarHBondContact O-CB 3.29Å; P126-W129 PolarHBondContact O-N 2.95Å; W129-Q131 VanDerWaalsContact CH2-CA 3.47Å; W129-Q131 HydrophobicContact CH2-CB 3.73Å; W129-Q131 HydrophobicContact CH2-CG 4.13Å; W129-Q131 HydrophobicContact CZ3-CB 3.87Å
130	E	83.3	Confident	77.7	Confident	169 Å²	169	114.7 Å²	114.7	79%	0.79	67%	0.674	S	S	*	*			trans	-120.8	141.1	172.1	-67.5	-172.9	168.9	0	0	109.3	G128 S132	G128-E130 PolarHBondContact O-N 3.48Å; E130-S132 PolarHBondContact O-N 3.14Å
131	Q	80.5	Confident	78.3	Confident	111 Å²	111	116.6 Å²	116.6	52%	0.519	67%	0.668	S	S	.	*	P	Polyproline II helix	trans	-63.4	125.2	175.7	-174.2	174.1	16.3	0	0	109.3	L118 W129 R133	L118-Q131 HydrophobicContact CD2-CG 4.17Å; W129-Q131 VanDerWaalsContact CH2-CA 3.47Å; W129-Q131 HydrophobicContact CH2-CB 3.73Å; W129-Q131 HydrophobicContact CH2-CG 4.13Å; W129-Q131 HydrophobicContact CZ3-CB 3.87Å; Q131-R133 PolarHBondContact O-N 3.43Å
132	S	76.2	Confident	78.7	Confident	84 Å²	84	115.2 Å²	115.2	59%	0.587	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-60.9	139.8	172.4	58.6	0	0	0	0	109.5	E130 E134	E130-S132 PolarHBondContact O-N 3.14Å; S132-E134 PolarHBondContact O-N 3.14Å; S132-E134 VanDerWaalsContact O-N 3.14Å
133	R	77.7	Confident	79.2	Confident	245 Å²	245	116.4 Å²	116.4	93%	0.925	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-61.7	121.6	175.8	-74.2	-174.1	178.3	177.1	0.4	108.6	Q131 A135	Q131-R133 PolarHBondContact O-N 3.43Å; R133-A135 PolarHBondContact O-N 3.21Å
134	E	77.8	Confident	79.5	Confident	161 Å²	161	116.8 Å²	116.8	75%	0.752	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-55.9	137.5	170.1	-66	-174.7	176.9	0	0	109	S132 Q136	S132-E134 PolarHBondContact O-N 3.14Å; S132-E134 VanDerWaalsContact O-N 3.14Å; E134-Q136 PolarHBondContact O-N 3.43Å
135	A	72.8	Confident	79.5	Confident	95 Å²	95	114.4 Å²	114.4	79%	0.785	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-60	138.3	173.6	0	0	0	0	0	108.5	R133	R133-A135 PolarHBondContact O-N 3.21Å
136	Q	72.9	Confident	79.2	Confident	175 Å²	175	115.9 Å²	115.9	82%	0.818	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-54.4	144.2	168.3	-68.6	180	3.6	0	0	108.4	E134 G138	E134-Q136 PolarHBondContact O-N 3.43Å; Q136-G138 PolarHBondContact O-N 2.86Å
137	P	72.9	Confident	78.9	Confident	131 Å²	131	117.3 Å²	117.3	85%	0.851	63%	0.628	S	S	*	*			trans	-52	112	176.3	19.8	-30.5	0	0	0	108.4	F139	P137-F139 PolarHBondContact O-N 3.46Å
138	G	67.2	Low	78.7	Confident	66 Å²	66	112.5 Å²	112.5	68%	0.68	61%	0.605	S	S	*	*			trans	-61.3	138.1	-171.4	0	0	0	0	0	110.4	Q136 N140	Q136-G138 PolarHBondContact O-N 2.86Å; G138-N140 VanDerWaalsContact C-N 3.27Å; G138-N140 PolarHBondContact O-N 2.9Å
139	F	72.1	Confident	78.2	Confident	151 Å²	151	110.8 Å²	110.8	66%	0.662	58%	0.584	S	S	*	*			trans	-71.5	87	170.9	-157.1	-97.2	0	0	0	108.3	P137 F141 L144	P137-F139 PolarHBondContact O-N 3.46Å; F139-F141 HydrophobicContact CD1-CD1 4.43Å; F139-F141 HydrophobicContact CD1-CD2 4.46Å; F139-F141 HydrophobicContact CD1-CE1 4.11Å; F139-F141 HydrophobicContact CD1-CE2 4.14Å; F139-F141 AromaticContact CD1-CZ 3.95Å; F139-F141 HydrophobicContact CD1-CZ 3.95Å; F139-F141 HydrophobicContact CE1-CD1 4.32Å; F139-F141 AromaticContact CE1-CE1 3.9Å; F139-F141 HydrophobicContact CE1-CE1 3.9Å; F139-F141 HydrophobicContact CE1-CZ 4.13Å; F139-F141 PolarHBondContact O-N 3.26Å; F139-L144 HydrophobicContact CD1-CD1 3.52Å; F139-L144 HydrophobicContact CD2-CD1 4.17Å; F139-L144 HydrophobicContact CE1-CD1 3.04Å; F139-L144 HydrophobicContact CE2-CD1 3.76Å; F139-L144 HydrophobicContact CG-CD1 4.08Å; F139-L144 HydrophobicContact CZ-CD1 3.18Å
140	N	80.6	Confident	77.6	Confident	80 Å²	80	110.5 Å²	110.5	43%	0.428	59%	0.587	S	S	.	*			trans	-83.4	101.4	-178.9	-170.9	-22	0	0	0	109.2	G138 E142 L143 L144	G138-N140 VanDerWaalsContact C-N 3.27Å; G138-N140 PolarHBondContact O-N 2.9Å; N140-E142 PolarHBondContact O-N 3.41Å; N140-E142 VanDerWaalsContact OD1-CB 3.25Å; N140-E142 WeakPolarHBondContact OD1-CB 3.37Å; N140-E142 PolarHBondContact OD1-N 3.03Å; N140-L143 HydrophobicContact CB-CB 4.01Å; N140-L143 HydrophobicContact CB-CD1 3.77Å; N140-L143 HydrophobicContact CB-CG 3.8Å; N140-L143 WeakPolarHBondContact O-CB 3.25Å; N140-L143 PolarHBondContact O-N 3.11Å; N140-L143 PolarHBondContact OD1-N 2.93Å; N140-L144 PolarHBondContact O-N 3.03Å
141	F	83.4	Confident	77	Confident	158 Å²	158	106.5 Å²	106.5	69%	0.693	58%	0.583	S	S	*	*	H	α-helix	trans	-55.2	-30.8	178.1	-75.5	-81.8	0	0	0	113	F139 L144 S145	F139-F141 HydrophobicContact CD1-CD1 4.43Å; F139-F141 HydrophobicContact CD1-CD2 4.46Å; F139-F141 HydrophobicContact CD1-CE1 4.11Å; F139-F141 HydrophobicContact CD1-CE2 4.14Å; F139-F141 AromaticContact CD1-CZ 3.95Å; F139-F141 HydrophobicContact CD1-CZ 3.95Å; F139-F141 HydrophobicContact CE1-CD1 4.32Å; F139-F141 AromaticContact CE1-CE1 3.9Å; F139-F141 HydrophobicContact CE1-CE1 3.9Å; F139-F141 HydrophobicContact CE1-CZ 4.13Å; F139-F141 PolarHBondContact O-N 3.26Å; F141-L144 PolarHBondContact O-N 2.96Å; F141-S145 WeakPolarHBondContact O-CB 3.47Å; F141-S145 PolarHBondContact O-N 3.31Å; F141-S145 PolarHBondContact O-OG 3.27Å
142	E	81.2	Confident	76.4	Confident	93 Å²	93	109.3 Å²	109.3	44%	0.435	59%	0.589	S	S	.	*	H	α-helix	trans	-70.6	-37.9	175.2	-179.4	64.1	-174.5	0	0	111.8	N140 L144 S145 R146	N140-E142 PolarHBondContact O-N 3.41Å; N140-E142 VanDerWaalsContact OD1-CB 3.25Å; N140-E142 WeakPolarHBondContact OD1-CB 3.37Å; N140-E142 PolarHBondContact OD1-N 3.03Å; E142-L144 VanDerWaalsContact C-N 3.33Å; E142-S145 WeakPolarHBondContact CA-OG 3.3Å; E142-S145 PolarHBondContact O-OG 3.33Å; E142-S145 PolarHBondContact OE2-OG 3.17Å; E142-R146 WeakPolarHBondContact O-CB 3.41Å; E142-R146 VanDerWaalsContact O-CG 3.25Å; E142-R146 WeakPolarHBondContact O-CG 3.25Å; E142-R146 PolarHBondContact O-N 3.34Å; E142-R146 IonicContact OE1-CZ 4Å; E142-R146 VanDerWaalsContact OE1-CZ 3.22Å; E142-R146 IonicContact OE1-NE 2.89Å; E142-R146 PolarHBondContact OE1-NE 3.04Å; E142-R146 IonicContact OE1-NH2 3.76Å; E142-R146 PolarHBondContact OE1-NH2 2.79Å
143	L	81.6	Confident	75.8	Confident	103 Å²	103	115.1 Å²	115.1	54%	0.539	61%	0.607	S	S	.	*	H	α-helix	trans	-66.6	-39.6	173.4	-67.8	179	0	0	0	111	N140 R146 L147	N140-L143 HydrophobicContact CB-CB 4.01Å; N140-L143 HydrophobicContact CB-CD1 3.77Å; N140-L143 HydrophobicContact CB-CG 3.8Å; N140-L143 WeakPolarHBondContact O-CB 3.25Å; N140-L143 PolarHBondContact O-N 3.11Å; N140-L143 PolarHBondContact OD1-N 2.93Å; L143-R146 PolarHBondContact O-N 2.9Å; L143-L147 WeakPolarHBondContact O-CB 3.39Å; L143-L147 VanDerWaalsContact O-CG 3.3Å; L143-L147 WeakPolarHBondContact O-CG 3.49Å; L143-L147 PolarHBondContact O-N 3.43Å
144	L	83.2	Confident	75.2	Confident	72 Å²	72	108.7 Å²	108.7	38%	0.377	59%	0.587	S	S	.	*	H	α-helix	trans	-67.8	-41.7	177.4	-72.4	166	0	0	0	112.6	F139 N140 F141 E142 R146 L147 A148	F139-L144 HydrophobicContact CD1-CD1 3.52Å; F139-L144 HydrophobicContact CD2-CD1 4.17Å; F139-L144 HydrophobicContact CE1-CD1 3.04Å; F139-L144 HydrophobicContact CE2-CD1 3.76Å; F139-L144 HydrophobicContact CG-CD1 4.08Å; F139-L144 HydrophobicContact CZ-CD1 3.18Å; N140-L144 PolarHBondContact O-N 3.03Å; F141-L144 PolarHBondContact O-N 2.96Å; E142-L144 VanDerWaalsContact C-N 3.33Å; L144-R146 VanDerWaalsContact C-N 3.32Å; L144-L147 PolarHBondContact O-N 2.85Å; L144-A148 VanDerWaalsContact O-CB 3.32Å; L144-A148 WeakPolarHBondContact O-CB 3.47Å; L144-A148 PolarHBondContact O-N 2.86Å
145	S	82	Confident	74.6	Confident	57 Å²	57	105.8 Å²	105.8	40%	0.399	59%	0.585	S	S	.	*	H	α-helix	trans	-62.6	-41.5	175.8	68.3	0	0	0	0	110.9	F141 E142 A148 A149	F141-S145 WeakPolarHBondContact O-CB 3.47Å; F141-S145 PolarHBondContact O-N 3.31Å; F141-S145 PolarHBondContact O-OG 3.27Å; E142-S145 WeakPolarHBondContact CA-OG 3.3Å; E142-S145 PolarHBondContact O-OG 3.33Å; E142-S145 PolarHBondContact OE2-OG 3.17Å; S145-A148 PolarHBondContact O-N 2.88Å; S145-A149 PolarHBondContact O-N 3.38Å
146	R	75.7	Confident	74.6	Confident	96 Å²	96	104.2 Å²	104.2	36%	0.362	57%	0.566	S	S	.	*	H	α-helix	trans	-68.1	-40.9	175.7	-71.5	-173.9	-168.7	-166.7	11	113	E142 L143 L144 A148 A149 L150 V159	E142-R146 WeakPolarHBondContact O-CB 3.41Å; E142-R146 VanDerWaalsContact O-CG 3.25Å; E142-R146 WeakPolarHBondContact O-CG 3.25Å; E142-R146 PolarHBondContact O-N 3.34Å; E142-R146 IonicContact OE1-CZ 4Å; E142-R146 VanDerWaalsContact OE1-CZ 3.22Å; E142-R146 IonicContact OE1-NE 2.89Å; E142-R146 PolarHBondContact OE1-NE 3.04Å; E142-R146 IonicContact OE1-NH2 3.76Å; E142-R146 PolarHBondContact OE1-NH2 2.79Å; L143-R146 PolarHBondContact O-N 2.9Å; L144-R146 VanDerWaalsContact C-N 3.32Å; R146-A148 VanDerWaalsContact C-N 3.32Å; R146-A149 WeakPolarHBondContact O-CB 3.32Å; R146-A149 PolarHBondContact O-N 3.46Å; R146-L150 WeakPolarHBondContact O-CG 3.36Å; R146-L150 PolarHBondContact O-N 2.89Å; R146-V159 PolarHBondContact NH1-O 2.77Å
147	L	78.6	Confident	74.7	Confident	108 Å²	108	96.6 Å²	96.6	57%	0.565	53%	0.531	S	S	*	.	H	α-helix	trans	-63	-39.6	173.1	-78.5	168.8	0	0	0	111.7	L143 L144 A149 L150 A151	L143-L147 WeakPolarHBondContact O-CB 3.39Å; L143-L147 VanDerWaalsContact O-CG 3.3Å; L143-L147 WeakPolarHBondContact O-CG 3.49Å; L143-L147 PolarHBondContact O-N 3.43Å; L144-L147 PolarHBondContact O-N 2.85Å; L147-A149 VanDerWaalsContact C-N 3.32Å; L147-L150 HydrophobicContact CD2-CD1 4.31Å; L147-L150 WeakPolarHBondContact O-CB 3.26Å; L147-L150 PolarHBondContact O-N 3.4Å; L147-A151 PolarHBondContact O-N 2.86Å
148	A	82.1	Confident	75.1	Confident	60 Å²	60	95.2 Å²	95.2	50%	0.496	51%	0.513	S	S	.	.	H	α-helix	trans	-66.9	-33.4	174.5	0	0	0	0	0	112.3	L144 S145 R146 A151	L144-A148 VanDerWaalsContact O-CB 3.32Å; L144-A148 WeakPolarHBondContact O-CB 3.47Å; L144-A148 PolarHBondContact O-N 2.86Å; S145-A148 PolarHBondContact O-N 2.88Å; R146-A148 VanDerWaalsContact C-N 3.32Å; A148-A151 PolarHBondContact O-N 2.86Å
149	A	76.3	Confident	75.6	Confident	40 Å²	40	93.8 Å²	93.8	33%	0.331	49%	0.491	S	S	.	.	H	α-helix	trans	-67	-38.5	172.3	0	0	0	0	0	111.9	S145 R146 L147 A151 R152	S145-A149 PolarHBondContact O-N 3.38Å; R146-A149 WeakPolarHBondContact O-CB 3.32Å; R146-A149 PolarHBondContact O-N 3.46Å; L147-A149 VanDerWaalsContact C-N 3.32Å; A149-A151 PolarHBondContact O-N 2.96Å; A149-R152 WeakPolarHBondContact O-CB 3.45Å; A149-R152 PolarHBondContact O-N 3.22Å
150	L	71.3	Confident	76	Confident	65 Å²	65	88.6 Å²	88.6	34%	0.34	47%	0.472	S	S	.	.	H	α-helix	trans	-63.5	-26.4	174	-74.7	166.2	0	0	0	113.5	R146 L147 R152 V157 V159 I171	R146-L150 WeakPolarHBondContact O-CG 3.36Å; R146-L150 PolarHBondContact O-N 2.89Å; L147-L150 HydrophobicContact CD2-CD1 4.31Å; L147-L150 WeakPolarHBondContact O-CB 3.26Å; L147-L150 PolarHBondContact O-N 3.4Å; L150-R152 VanDerWaalsContact C-N 3.28Å; L150-R152 PolarHBondContact O-N 3.46Å; L150-V157 HydrophobicContact CD2-CB 3.67Å; L150-V157 HydrophobicContact CD2-CG1 3.5Å; L150-V157 HydrophobicContact CD2-CG2 4.14Å; L150-V157 HydrophobicContact CG-CG1 4.04Å; L150-V159 HydrophobicContact CD2-CG2 4.19Å; L150-I171 HydrophobicContact CD2-CB 4.37Å; L150-I171 HydrophobicContact CD2-CD1 3.9Å
151	A	71.5	Confident	76.2	Confident	85 Å²	85	88.8 Å²	88.8	70%	0.702	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-8.1	177.7	0	0	0	0	0	113.7	L147 A148 A149	L147-A151 PolarHBondContact O-N 2.86Å; A148-A151 PolarHBondContact O-N 2.86Å; A149-A151 PolarHBondContact O-N 2.96Å
152	R	67.6	Low	76.5	Confident	171 Å²	171	84.6 Å²	84.6	65%	0.645	47%	0.472	S	S	*	.	S	Bend	trans	-77.6	136.7	171.3	-62.8	-178.5	117.1	102.3	-1.2	108.5	A149 L150 E154	A149-R152 WeakPolarHBondContact O-CB 3.45Å; A149-R152 PolarHBondContact O-N 3.22Å; L150-R152 VanDerWaalsContact C-N 3.28Å; L150-R152 PolarHBondContact O-N 3.46Å; R152-E154 PolarHBondContact O-N 3.35Å
153	E	63.6	Low	76.8	Confident	205 Å²	205	83.5 Å²	83.5	96%	0.958	47%	0.474	S	S	*	.			trans	-69.7	39.8	179.2	-60.7	177.9	-179.5	0	0	113.2
154	E	64.3	Low	77.2	Confident	110 Å²	110	88 Å²	88	51%	0.514	49%	0.493	S	S	.	.			trans	-79.7	133.7	172.7	-75	172.8	-169.5	0	0	109.1	R152 T156	R152-E154 PolarHBondContact O-N 3.35Å; E154-T156 PolarHBondContact O-N 3.41Å
155	S	66.7	Low	77.4	Confident	101 Å²	101	92 Å²	92	71%	0.706	52%	0.515	S	S	*	.	S	Bend	trans	-64.3	-12.7	-175.5	51.5	0	0	0	0	114
156	T	72.6	Confident	77.5	Confident	62 Å²	62	91.7 Å²	91.7	38%	0.38	51%	0.512	S	S	.	.			trans	-150.6	128.6	174.9	60.5	0	0	0	0	109.9	E154 I171 Y172	E154-T156 PolarHBondContact O-N 3.41Å; T156-I171 WeakPolarHBondContact CA-O 3.5Å; T156-Y172 HydrophobicContact CG2-CD1 3.58Å; T156-Y172 HydrophobicContact CG2-CE1 3.29Å
157	V	75.1	Confident	78.1	Confident	14 Å²	14	92.3 Å²	92.3	9%	0.085	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	116.8	174.6	-177.6	0	0	0	0	109.4	L150 V159 K170 I171	L150-V157 HydrophobicContact CD2-CB 3.67Å; L150-V157 HydrophobicContact CD2-CG1 3.5Å; L150-V157 HydrophobicContact CD2-CG2 4.14Å; L150-V157 HydrophobicContact CG-CG1 4.04Å; V157-V159 PolarHBondContact O-N 3.36Å; V157-K170 WeakPolarHBondContact O-CA 3.17Å; V157-I171 PolarHBondContact N-O 2.82Å; V157-I171 PolarHBondContact O-N 2.89Å
158	E	79.9	Confident	78.6	Confident	102 Å²	102	89.4 Å²	89.4	48%	0.477	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	110.2	173.1	-173.6	165.3	-159.2	0	0	109.7	S168 K170	E158-S168 VanDerWaalsContact OE1-CB 3.26Å; E158-S168 WeakPolarHBondContact OE1-CB 3.47Å; E158-K170 HydrophobicContact CB-CG 4.26Å; E158-K170 HydrophobicContact CG-CG 4.2Å
159	V	77.7	Confident	78.8	Confident	36 Å²	36	91 Å²	91	22%	0.218	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-32.5	-175.1	-178.8	0	0	0	0	111.7	R146 L150 V157 I169 I171	R146-V159 PolarHBondContact NH1-O 2.77Å; L150-V159 HydrophobicContact CD2-CG2 4.19Å; V157-V159 PolarHBondContact O-N 3.36Å; V159-I169 PolarHBondContact N-O 2.92Å; V159-I171 HydrophobicContact CG2-CB 4.41Å; V159-I171 HydrophobicContact CG2-CD1 3.46Å; V159-I171 VanDerWaalsContact CG2-CD1 3.46Å; V159-I171 HydrophobicContact CG2-CG1 3.64Å
160	V	81.8	Confident	79.2	Confident	42 Å²	42	94 Å²	94	26%	0.255	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	119.6	178	-177.2	0	0	0	0	107.7	S168 I169	V160-S168 CarbonylContact O-C 3.49Å; V160-S168 WeakPolarHBondContact O-CA 3.47Å; V160-I169 HydrophobicContact CB-CB 3.99Å; V160-I169 HydrophobicContact CB-CD1 4.23Å; V160-I169 HydrophobicContact CB-CG1 4.09Å; V160-I169 HydrophobicContact CG2-CB 4.2Å; V160-I169 HydrophobicContact CG2-CD1 3.94Å; V160-I169 HydrophobicContact CG2-CG1 4.3Å; V160-I169 PolarHBondContact N-O 3.36Å; V160-I169 PolarHBondContact O-N 3.31Å
161	P	84.5	Confident	79.7	Confident	85 Å²	85	94.4 Å²	94.4	55%	0.552	52%	0.524	S	S	*	.			trans	-69.4	153	174.1	30	-34.2	0	0	0	110.4
162	A	89.7	Confident	80.1	Confident	70 Å²	70	97.9 Å²	97.9	58%	0.579	52%	0.52	S	S	*	.			trans	-64.1	140.6	172.8	0	0	0	0	0	111.2	C166	A162-C166 WeakPolarHBondContact CA-O 3.47Å
163	S	87.4	Confident	80.4	Confident	69 Å²	69	93.6 Å²	93.6	48%	0.483	51%	0.514	S	S	.	.	B	Isolated β-bridge	trans	-127.5	174.5	167.4	83.5	0	0	0	0	110.3	N165 C166	S163-N165 PolarHBondContact O-N 3.2Å; S163-N165 VanDerWaalsContact O-N 3.11Å; S163-N165 PolarHBondContact OG-N 3.32Å; S163-C166 PolarHBondContact N-O 2.83Å; S163-C166 PolarHBondContact O-N 3.5Å; S163-C166 VanDerWaalsContact O-O 3.06Å; S163-C166 PolarHBondContact OG-N 3.27Å; S163-C166 PolarHBondContact OG-SG 2.93Å
164	E	90.5	Very high	80.8	Confident	197 Å²	197	89.4 Å²	89.4	92%	0.921	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-32.6	177	-66.6	-177	168.2	0	0	112.9
165	N	87.5	Confident	81.1	Confident	158 Å²	158	87.9 Å²	87.9	85%	0.845	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	0.5	-174.8	-68	-11.8	0	0	0	114.2	S163	S163-N165 PolarHBondContact O-N 3.2Å; S163-N165 VanDerWaalsContact O-N 3.11Å; S163-N165 PolarHBondContact OG-N 3.32Å
166	C	83	Confident	81.1	Confident	50 Å²	50	90.3 Å²	90.3	34%	0.338	52%	0.517	S	S	.	.	B	Isolated β-bridge	trans	-144.6	135.3	178.1	66.5	0	0	0	0	113.4	A162 S163	A162-C166 WeakPolarHBondContact CA-O 3.47Å; S163-C166 PolarHBondContact N-O 2.83Å; S163-C166 PolarHBondContact O-N 3.5Å; S163-C166 VanDerWaalsContact O-O 3.06Å; S163-C166 PolarHBondContact OG-N 3.27Å; S163-C166 PolarHBondContact OG-SG 2.93Å
167	P	88	Confident	80.7	Confident	108 Å²	108	93.7 Å²	93.7	70%	0.701	53%	0.533	S	S	*	.			trans	-70.7	154.9	173.9	31.6	-35.2	0	0	0	111
168	S	89.6	Confident	79.9	Confident	47 Å²	47	100.4 Å²	100.4	33%	0.329	57%	0.569	S	S	.	*			trans	-64.9	142.9	173.2	60.3	0	0	0	0	111.8	E158 V160	E158-S168 VanDerWaalsContact OE1-CB 3.26Å; E158-S168 WeakPolarHBondContact OE1-CB 3.47Å; V160-S168 CarbonylContact O-C 3.49Å; V160-S168 WeakPolarHBondContact O-CA 3.47Å
169	I	87	Confident	78.9	Confident	94 Å²	94	101.9 Å²	101.9	48%	0.482	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.8	120.5	172.4	-58	177.8	0	0	0	109	V159 V160	V159-I169 PolarHBondContact N-O 2.92Å; V160-I169 HydrophobicContact CB-CB 3.99Å; V160-I169 HydrophobicContact CB-CD1 4.23Å; V160-I169 HydrophobicContact CB-CG1 4.09Å; V160-I169 HydrophobicContact CG2-CB 4.2Å; V160-I169 HydrophobicContact CG2-CD1 3.94Å; V160-I169 HydrophobicContact CG2-CG1 4.3Å; V160-I169 PolarHBondContact N-O 3.36Å; V160-I169 PolarHBondContact O-N 3.31Å
170	K	84.6	Confident	77.9	Confident	102 Å²	102	106.7 Å²	106.7	44%	0.443	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.2	135.5	179.6	-60.5	-176.6	-178.6	-174.6	0	110.4	V157 E158 Y172	V157-K170 WeakPolarHBondContact O-CA 3.17Å; E158-K170 HydrophobicContact CB-CG 4.26Å; E158-K170 HydrophobicContact CG-CG 4.2Å; K170-Y172 HydrophobicContact CB-CE2 4.18Å
171	I	81.1	Confident	76.7	Confident	75 Å²	75	108.5 Å²	108.5	39%	0.385	63%	0.628	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.5	130.1	174.8	-62.8	-176.8	0	0	0	108.4	L150 T156 V157 V159	L150-I171 HydrophobicContact CD2-CB 4.37Å; L150-I171 HydrophobicContact CD2-CD1 3.9Å; T156-I171 WeakPolarHBondContact CA-O 3.5Å; V157-I171 PolarHBondContact N-O 2.82Å; V157-I171 PolarHBondContact O-N 2.89Å; V159-I171 HydrophobicContact CG2-CB 4.41Å; V159-I171 HydrophobicContact CG2-CD1 3.46Å; V159-I171 VanDerWaalsContact CG2-CD1 3.46Å; V159-I171 HydrophobicContact CG2-CG1 3.64Å
172	Y	80.8	Confident	75.7	Confident	157 Å²	157	110.5 Å²	110.5	62%	0.616	64%	0.639	S	S	*	*			trans	-106	108.9	171.7	-63.7	-94.7	0	0	0	107	T156 K170 C174	T156-Y172 HydrophobicContact CG2-CD1 3.58Å; T156-Y172 HydrophobicContact CG2-CE1 3.29Å; K170-Y172 HydrophobicContact CB-CE2 4.18Å; Y172-C174 PolarHBondContact O-N 2.89Å; Y172-C174 VanDerWaalsContact O-N 3.16Å
173	P	73	Confident	74.5	Confident	81 Å²	81	116.5 Å²	116.5	53%	0.526	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-61.6	120.1	171.8	21.6	-25.7	0	0	0	108.2	A175	P173-A175 PolarHBondContact O-N 3.02Å
174	C	71.8	Confident	73.5	Confident	118 Å²	118	118.9 Å²	118.9	80%	0.797	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-71.3	124.7	171.2	-168.1	0	0	0	0	106.4	Y172 D176	Y172-C174 PolarHBondContact O-N 2.89Å; Y172-C174 VanDerWaalsContact O-N 3.16Å; C174-D176 PolarHBondContact O-N 3.16Å
175	A	71.3	Confident	72.7	Confident	77 Å²	77	118.9 Å²	118.9	64%	0.636	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-57.3	132.7	169.5	0	0	0	0	0	107.5	P173 D177	P173-A175 PolarHBondContact O-N 3.02Å; A175-D177 VanDerWaalsContact C-N 3.29Å; A175-D177 PolarHBondContact O-N 2.76Å
176	D	67.4	Low	72.2	Confident	153 Å²	153	118.7 Å²	118.7	82%	0.818	66%	0.66	S	S	*	*			trans	-62.6	100.6	166.2	-73.2	-42.6	0	0	0	106	C174 D178	C174-D176 PolarHBondContact O-N 3.16Å; D176-D178 VanDerWaalsContact C-N 3.3Å; D176-D178 PolarHBondContact O-N 3.17Å
177	D	62.3	Low	72.1	Confident	132 Å²	132	122.4 Å²	122.4	71%	0.706	68%	0.681	S	S	*	*			trans	-60.4	102.1	166.3	-86.1	-28.2	0	0	0	106	A175 D179	A175-D177 VanDerWaalsContact C-N 3.29Å; A175-D177 PolarHBondContact O-N 2.76Å; D177-D179 HydrophobicContact CB-CB 4.37Å; D177-D179 PolarHBondContact O-N 3.04Å
178	D	59.6	Low	71.7	Confident	156 Å²	156	125.7 Å²	125.7	83%	0.834	69%	0.687	S	S	*	*			trans	-60.1	-2.1	165.9	-87.6	-48.1	0	0	0	111.8	D176 V180	D176-D178 VanDerWaalsContact C-N 3.3Å; D176-D178 PolarHBondContact O-N 3.17Å; D178-V180 VanDerWaalsContact C-N 3.35Å; D178-V180 PolarHBondContact O-N 2.9Å
179	D	58.5	Low	71.3	Confident	132 Å²	132	129.4 Å²	129.4	71%	0.706	71%	0.707	S	S	*	*			trans	-65.6	99	160	-85.4	-45.6	0	0	0	108.9	D177 A181	D177-D179 HydrophobicContact CB-CB 4.37Å; D177-D179 PolarHBondContact O-N 3.04Å; D179-A181 PolarHBondContact O-N 2.95Å
180	V	55.8	Low	70.9	Confident	138 Å²	138	129.5 Å²	129.5	84%	0.836	72%	0.722	S	S	*	*			trans	-58.7	65.7	159.2	-170.9	0	0	0	0	108.5	D178 T182	D178-V180 VanDerWaalsContact C-N 3.35Å; D178-V180 PolarHBondContact O-N 2.9Å; V180-T182 VanDerWaalsContact C-N 3.29Å; V180-T182 PolarHBondContact O-N 3.32Å
181	A	58.5	Low	70.6	Confident	79 Å²	79	134.1 Å²	134.1	65%	0.653	74%	0.737	S	S	*	*			trans	-66.1	98.4	166.8	0	0	0	0	0	104.8	D179 K183	D179-A181 PolarHBondContact O-N 2.95Å; A181-K183 PolarHBondContact O-N 3.45Å
182	T	61.7	Low	70.4	Confident	128 Å²	128	135.6 Å²	135.6	79%	0.785	75%	0.751	S	S	*	*			trans	-26.6	105.9	171.9	12.8	0	0	0	0	109.7	V180	V180-T182 VanDerWaalsContact C-N 3.29Å; V180-T182 PolarHBondContact O-N 3.32Å
183	K	64.8	Low	70.2	Confident	196 Å²	196	134.2 Å²	134.2	85%	0.852	76%	0.761	S	S	*	*			trans	-43.1	119.3	177.8	-74.1	-178.4	178.3	-178.5	0	107.3	A181 K185	A181-K183 PolarHBondContact O-N 3.45Å; K183-K185 PolarHBondContact O-N 2.96Å
184	P	66	Low	70.2	Confident	118 Å²	118	139 Å²	139	77%	0.766	79%	0.789	S	S	*	*			trans	-57.4	117.5	179.8	21.7	-31.1	0	0	0	106.9	I186	P184-I186 PolarHBondContact O-N 2.89Å
185	K	74.8	Confident	70.1	Confident	197 Å²	197	140 Å²	140	86%	0.857	79%	0.789	S	S	*	*			trans	-66	102.5	179.6	-168.2	175.4	-176	178.6	0	106.6	K183 V187	K183-K185 PolarHBondContact O-N 2.96Å; K185-V187 PolarHBondContact O-N 2.64Å
186	I	76.6	Confident	70.1	Confident	155 Å²	155	143.3 Å²	143.3	80%	0.795	80%	0.797	S	S	*	*			trans	-57	112.7	178.5	-59.9	172.9	0	0	0	107.2	P184 H188	P184-I186 PolarHBondContact O-N 2.89Å; I186-H188 PolarHBondContact O-N 3.01Å
187	V	80.8	Confident	70.2	Confident	128 Å²	128	142.8 Å²	142.8	78%	0.776	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-71.9	117.7	174.3	179.7	0	0	0	0	107.2	K185 T189	K185-V187 PolarHBondContact O-N 2.64Å; V187-T189 PolarHBondContact O-N 2.88Å
188	H	80.1	Confident	70.7	Confident	177 Å²	177	143.4 Å²	143.4	82%	0.819	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-68.4	124.5	177.5	-147	37.3	0	0	0	109.3	I186	I186-H188 PolarHBondContact O-N 3.01Å
189	T	80.8	Confident	71.4	Confident	125 Å²	125	142.6 Å²	142.6	77%	0.767	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-77.9	139.5	173.2	48	0	0	0	0	109.8	V187	V187-T189 PolarHBondContact O-N 2.88Å
190	A	79	Confident	72.3	Confident	95 Å²	95	143.3 Å²	143.3	79%	0.785	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71.5	144	173.9	0	0	0	0	0	110.6
191	R	78.7	Confident	73.4	Confident	199 Å²	199	143.7 Å²	143.7	75%	0.751	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-58	135.4	169.1	155.9	176	172.8	-179	0.2	110	T194	R191-T194 PolarHBondContact NH2-OG1 2.88Å
192	P	76.8	Confident	74.6	Confident	106 Å²	106	148.7 Å²	148.7	69%	0.688	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-62.5	143	169.8	-16.4	29	0	0	0	111.4
193	P	75.3	Confident	75.6	Confident	128 Å²	128	150.4 Å²	150.4	83%	0.831	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-63.5	143.6	176.2	25.7	-31.4	0	0	0	111.3
194	T	74	Confident	76.6	Confident	181 Å²	181	146.3 Å²	146.3	100%	1.11	81%	0.813	S	S	*	*			trans	-64.1	0	174.4	-44.9	0	0	0	0	111.3	R191	R191-T194 PolarHBondContact NH2-OG1 2.88Å

Retrieved 194 of 194 residues in 120.5 ms (Link to these results)

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