A0A5K4F6V0_SCHMA Loading...

Putative kunitz-type protease inhibitor

AlphaFold DB , UniProt , Accession A0A5K4F6V0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 191 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	58.8	Low	72.3	Confident	193 Å²	193	105.8 Å²	105.8	95%	0.951	56%	0.555	S	S	*	*				0	-50.6	0	-136.4	165.2	78.6	0	0	112.3	S3 F4	M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.38Å; M1-F4 PolarHBondContact O-N 3.12Å
2	F	62	Low	73.1	Confident	183 Å²	183	106.3 Å²	106.3	80%	0.803	56%	0.558	S	S	*	*	H	α-helix	trans	-55.7	-36.4	-179.6	-64.3	-74.9	0	0	0	115.4	C5 L6	F2-C5 PolarHBondContact O-N 3.3Å; F2-L6 PolarHBondContact O-N 3.41Å
3	S	64	Low	73.6	Confident	69 Å²	69	105.7 Å²	105.7	48%	0.483	55%	0.553	S	S	.	*	H	α-helix	trans	-64.9	-43.2	-179.8	-171.1	0	0	0	0	113.5	M1 C5 L6 Y7	M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.38Å; S3-C5 VanDerWaalsContact C-N 3.33Å; S3-C5 PolarHBondContact O-N 2.98Å; S3-L6 PolarHBondContact O-N 3.09Å; S3-Y7 WeakPolarHBondContact O-CD2 3.33Å; S3-Y7 PolarHBondContact O-N 3.48Å
4	F	64.6	Low	73.6	Confident	175 Å²	175	100.6 Å²	100.6	77%	0.768	53%	0.531	S	S	*	.	H	α-helix	trans	-65.6	-34.4	178.6	-71.9	-78.1	0	0	0	112.9	M1 G8	M1-F4 PolarHBondContact O-N 3.12Å; F4-G8 PolarHBondContact O-N 3.43Å; F4-G8 VanDerWaalsContact O-N 3.11Å
5	C	67.4	Low	73.7	Confident	84 Å²	84	99.5 Å²	99.5	57%	0.568	53%	0.529	S	S	*	.	H	α-helix	trans	-64.3	-40.3	174.6	-70.4	0	0	0	0	111.9	F2 S3 G8 T9	F2-C5 PolarHBondContact O-N 3.3Å; S3-C5 VanDerWaalsContact C-N 3.33Å; S3-C5 PolarHBondContact O-N 2.98Å; C5-G8 PolarHBondContact O-N 3.44Å; C5-T9 WeakPolarHBondContact O-CG2 3.44Å; C5-T9 PolarHBondContact O-N 3.17Å; C5-T9 PolarHBondContact O-OG1 3.32Å
6	L	78.4	Confident	73.8	Confident	120 Å²	120	101.4 Å²	101.4	63%	0.628	53%	0.534	S	S	*	.	H	α-helix	trans	-60.8	-50	177.7	-67.3	173.3	0	0	0	110.8	F2 S3 G8 T9 L10	F2-L6 PolarHBondContact O-N 3.41Å; S3-L6 PolarHBondContact O-N 3.09Å; L6-G8 VanDerWaalsContact C-N 3.33Å; L6-G8 PolarHBondContact O-N 3.23Å; L6-T9 PolarHBondContact O-N 3.08Å; L6-T9 PolarHBondContact O-OG1 3.1Å; L6-L10 VanDerWaalsContact O-CB 3.22Å; L6-L10 WeakPolarHBondContact O-CB 3.35Å; L6-L10 PolarHBondContact O-N 3.19Å
7	Y	78.1	Confident	73.5	Confident	92 Å²	92	98.5 Å²	98.5	36%	0.361	52%	0.524	S	S	.	.	H	α-helix	trans	-60.2	-38.6	177.2	-72.6	-74.8	0	0	0	113.5	S3 L10 L11 I100 L104	S3-Y7 WeakPolarHBondContact O-CD2 3.33Å; S3-Y7 PolarHBondContact O-N 3.48Å; Y7-L10 WeakPolarHBondContact O-CB 3.46Å; Y7-L10 PolarHBondContact O-N 3.35Å; Y7-L11 PolarHBondContact O-N 3.36Å; Y7-I100 HydrophobicContact CE1-CG2 3.87Å; Y7-I100 WeakPolarHBondContact OH-CG2 3.47Å; Y7-L104 HydrophobicContact CE1-CD1 4.25Å
8	G	79.3	Confident	73	Confident	35 Å²	35	97.3 Å²	97.3	36%	0.361	52%	0.521	S	S	.	.	H	α-helix	trans	-64.8	-46.5	176.9	0	0	0	0	0	113	F4 C5 L6 L10 L11 L12	F4-G8 PolarHBondContact O-N 3.43Å; F4-G8 VanDerWaalsContact O-N 3.11Å; C5-G8 PolarHBondContact O-N 3.44Å; L6-G8 VanDerWaalsContact C-N 3.33Å; L6-G8 PolarHBondContact O-N 3.23Å; G8-L10 PolarHBondContact O-N 2.89Å; G8-L11 PolarHBondContact O-N 3.06Å; G8-L12 PolarHBondContact O-N 3.43Å; G8-L12 VanDerWaalsContact O-N 3.13Å
9	T	80.6	Confident	72.5	Confident	76 Å²	76	96.8 Å²	96.8	47%	0.466	53%	0.531	S	S	.	.	H	α-helix	trans	-62.7	-33.2	175.7	56.8	0	0	0	0	112.1	C5 L6 L12 I13	C5-T9 WeakPolarHBondContact O-CG2 3.44Å; C5-T9 PolarHBondContact O-N 3.17Å; C5-T9 PolarHBondContact O-OG1 3.32Å; L6-T9 PolarHBondContact O-N 3.08Å; L6-T9 PolarHBondContact O-OG1 3.1Å; T9-L12 PolarHBondContact O-N 2.95Å; T9-I13 VanDerWaalsContact O-CG1 3.3Å; T9-I13 WeakPolarHBondContact O-CG1 3.44Å; T9-I13 PolarHBondContact O-N 3.24Å
10	L	81.9	Confident	72	Confident	34 Å²	34	96.7 Å²	96.7	18%	0.178	54%	0.538	C	S	.	.	H	α-helix	trans	-71.4	-42.1	-179.3	-159.2	77.1	0	0	0	113.6	L6 Y7 G8 L12 I13 C14 L98 L101	L6-L10 VanDerWaalsContact O-CB 3.22Å; L6-L10 WeakPolarHBondContact O-CB 3.35Å; L6-L10 PolarHBondContact O-N 3.19Å; Y7-L10 WeakPolarHBondContact O-CB 3.46Å; Y7-L10 PolarHBondContact O-N 3.35Å; G8-L10 PolarHBondContact O-N 2.89Å; L10-L12 VanDerWaalsContact C-N 3.3Å; L10-I13 PolarHBondContact O-N 2.67Å; L10-C14 WeakPolarHBondContact O-CB 3.42Å; L10-C14 PolarHBondContact O-N 3.48Å; L10-L98 HydrophobicContact CD1-CD1 3.28Å; L10-L98 HydrophobicContact CD1-CD2 3.33Å; L10-L98 HydrophobicContact CD1-CG 3.65Å; L10-L98 HydrophobicContact CD2-CB 4.08Å; L10-L98 HydrophobicContact CD2-CD1 3.41Å; L10-L98 VanDerWaalsContact CD2-CD1 3.41Å; L10-L98 HydrophobicContact CD2-CD2 3.15Å; L10-L98 HydrophobicContact CD2-CG 3.57Å; L10-L98 HydrophobicContact CG-CD1 3.1Å; L10-L98 HydrophobicContact CG-CD2 3.61Å; L10-L98 HydrophobicContact CG-CG 3.74Å; L10-L101 HydrophobicContact CD2-CD1 3.68Å; L10-L101 HydrophobicContact CG-CD1 4.5Å
11	L	80.6	Confident	71.7	Confident	103 Å²	103	96.2 Å²	96.2	54%	0.539	53%	0.529	S	S	.	.	H	α-helix	trans	-61.6	-41.7	172.1	-176.9	67.8	0	0	0	110.6	Y7 G8 C14 V15	Y7-L11 PolarHBondContact O-N 3.36Å; G8-L11 PolarHBondContact O-N 3.06Å; L11-C14 WeakPolarHBondContact O-CB 3.47Å; L11-C14 PolarHBondContact O-N 2.89Å; L11-V15 WeakPolarHBondContact O-CB 3.5Å; L11-V15 VanDerWaalsContact O-CG2 3.27Å; L11-V15 WeakPolarHBondContact O-CG2 3.19Å; L11-V15 PolarHBondContact O-N 3.45Å
12	L	81.1	Confident	72	Confident	112 Å²	112	97.7 Å²	97.7	59%	0.586	52%	0.523	S	S	*	.	H	α-helix	trans	-61.2	-44.8	176.1	-76.7	168.3	0	0	0	112.1	G8 T9 L10 V15 Q16	G8-L12 PolarHBondContact O-N 3.43Å; G8-L12 VanDerWaalsContact O-N 3.13Å; T9-L12 PolarHBondContact O-N 2.95Å; L10-L12 VanDerWaalsContact C-N 3.3Å; L12-V15 PolarHBondContact O-N 3.29Å; L12-Q16 VanDerWaalsContact O-CG 3.29Å; L12-Q16 WeakPolarHBondContact O-CG 3.47Å; L12-Q16 PolarHBondContact O-N 2.87Å
13	I	80.4	Confident	72.3	Confident	98 Å²	98	97.4 Å²	97.4	50%	0.503	52%	0.522	S	S	.	.	H	α-helix	trans	-63.5	-42.5	175.7	-66.2	163.5	0	0	0	110.8	T9 L10 V15 Q16 S17	T9-I13 VanDerWaalsContact O-CG1 3.3Å; T9-I13 WeakPolarHBondContact O-CG1 3.44Å; T9-I13 PolarHBondContact O-N 3.24Å; L10-I13 PolarHBondContact O-N 2.67Å; I13-V15 PolarHBondContact O-N 3.31Å; I13-Q16 PolarHBondContact O-N 2.89Å; I13-S17 PolarHBondContact O-N 3.04Å
14	C	72.7	Confident	72.9	Confident	35 Å²	35	94.7 Å²	94.7	24%	0.236	51%	0.505	C	S	.	.	H	α-helix	trans	-57.3	-50.2	175.3	-178.3	0	0	0	0	111.3	L10 L11 Q16 S17 V18 L96	L10-C14 WeakPolarHBondContact O-CB 3.42Å; L10-C14 PolarHBondContact O-N 3.48Å; L11-C14 WeakPolarHBondContact O-CB 3.47Å; L11-C14 PolarHBondContact O-N 2.89Å; C14-Q16 VanDerWaalsContact C-N 3.32Å; C14-Q16 PolarHBondContact O-N 2.93Å; C14-S17 PolarHBondContact O-N 3.45Å; C14-S17 VanDerWaalsContact O-N 3.1Å; C14-S17 PolarHBondContact O-OG 3.22Å; C14-V18 PolarHBondContact O-N 3.21Å; C14-V18 VanDerWaalsContact O-N 3.12Å; C14-L96 HydrophobicContact CB-CD2 3.55Å; C14-L96 WeakPolarHBondContact SG-CD2 3.27Å
15	V	76.2	Confident	73.9	Confident	83 Å²	83	88.4 Å²	88.4	50%	0.503	48%	0.479	S	S	.	.	H	α-helix	trans	-61	-40.6	178.7	171.9	0	0	0	0	111.4	L11 L12 I13 S17 V18 A19	L11-V15 WeakPolarHBondContact O-CB 3.5Å; L11-V15 VanDerWaalsContact O-CG2 3.27Å; L11-V15 WeakPolarHBondContact O-CG2 3.19Å; L11-V15 PolarHBondContact O-N 3.45Å; L12-V15 PolarHBondContact O-N 3.29Å; I13-V15 PolarHBondContact O-N 3.31Å; V15-S17 VanDerWaalsContact C-N 3.33Å; V15-S17 PolarHBondContact O-N 3.29Å; V15-V18 WeakPolarHBondContact O-CG2 3.2Å; V15-A19 WeakPolarHBondContact O-CB 3.4Å; V15-A19 PolarHBondContact O-N 3.32Å
16	Q	75.6	Confident	74.8	Confident	131 Å²	131	87.8 Å²	87.8	61%	0.612	48%	0.476	S	S	*	.	H	α-helix	trans	-65.1	-35.7	175.5	-72.9	176.2	-12.4	0	0	112.7	L12 I13 C14 S20	L12-Q16 VanDerWaalsContact O-CG 3.29Å; L12-Q16 WeakPolarHBondContact O-CG 3.47Å; L12-Q16 PolarHBondContact O-N 2.87Å; I13-Q16 PolarHBondContact O-N 2.89Å; C14-Q16 VanDerWaalsContact C-N 3.32Å; C14-Q16 PolarHBondContact O-N 2.93Å; Q16-S20 PolarHBondContact O-N 3.45Å; Q16-S20 PolarHBondContact O-OG 3.1Å
17	S	68	Low	75.5	Confident	51 Å²	51	84.7 Å²	84.7	36%	0.357	46%	0.46	S	S	.	.	H	α-helix	trans	-70.1	-41.5	-179.9	72.9	0	0	0	0	113	I13 C14 V15 S20 L96	I13-S17 PolarHBondContact O-N 3.04Å; C14-S17 PolarHBondContact O-N 3.45Å; C14-S17 VanDerWaalsContact O-N 3.1Å; C14-S17 PolarHBondContact O-OG 3.22Å; V15-S17 VanDerWaalsContact C-N 3.33Å; V15-S17 PolarHBondContact O-N 3.29Å; S17-S20 PolarHBondContact O-N 3.39Å; S17-L96 WeakPolarHBondContact OG-CD1 3.5Å
18	V	64.7	Low	76.1	Confident	78 Å²	78	80.3 Å²	80.3	47%	0.473	44%	0.443	S	S	.	.	H	α-helix	trans	-70.5	-34.8	177.2	-64.3	0	0	0	0	112.4	C14 V15 S20 Y21	C14-V18 PolarHBondContact O-N 3.21Å; C14-V18 VanDerWaalsContact O-N 3.12Å; V15-V18 WeakPolarHBondContact O-CG2 3.2Å; V18-S20 PolarHBondContact O-N 3.33Å; V18-Y21 WeakPolarHBondContact O-CB 3.25Å; V18-Y21 PolarHBondContact O-N 3.34Å; V18-Y21 VanDerWaalsContact O-N 3.14Å
19	A	63.3	Low	76.6	Confident	87 Å²	87	83 Å²	83	72%	0.719	45%	0.449	S	S	*	.	H	α-helix	trans	-63.9	-22.3	175.2	0	0	0	0	0	112.7	V15	V15-A19 WeakPolarHBondContact O-CB 3.4Å; V15-A19 PolarHBondContact O-N 3.32Å
20	S	62.3	Low	77.1	Confident	95 Å²	95	83.1 Å²	83.1	66%	0.664	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	0.2	178.5	-59.5	0	0	0	0	113.6	Q16 S17 V18 R22	Q16-S20 PolarHBondContact O-N 3.45Å; Q16-S20 PolarHBondContact O-OG 3.1Å; S17-S20 PolarHBondContact O-N 3.39Å; V18-S20 PolarHBondContact O-N 3.33Å; S20-R22 PolarHBondContact O-N 3.38Å
21	Y	65.3	Low	77.5	Confident	87 Å²	87	84.3 Å²	84.3	34%	0.341	45%	0.452	S	S	.	.			trans	-64.6	125.8	179.3	-172.8	-90.2	0	0	0	111.2	V18 K23 I82 M84	V18-Y21 WeakPolarHBondContact O-CB 3.25Å; V18-Y21 PolarHBondContact O-N 3.34Å; V18-Y21 VanDerWaalsContact O-N 3.14Å; Y21-K23 PolarHBondContact O-N 3.25Å; Y21-K23 VanDerWaalsContact O-N 3.13Å; Y21-I82 WeakPolarHBondContact OH-CB 3.31Å; Y21-I82 PolarHBondContact OH-O 3.45Å; Y21-M84 HydrophobicContact CD1-CE 4.31Å; Y21-M84 HydrophobicContact CD1-CG 3.86Å; Y21-M84 HydrophobicContact CD1-SD 3.47Å; Y21-M84 WeakPolarHBondContact CD1-SD 3.42Å; Y21-M84 HydrophobicContact CE1-CE 4.46Å; Y21-M84 HydrophobicContact CE1-CG 3.21Å; Y21-M84 HydrophobicContact CE1-SD 3.54Å; Y21-M84 VanDerWaalsContact CE1-SD 3.54Å; Y21-M84 HydrophobicContact CG-SD 4.45Å
22	R	64.9	Low	78.2	Confident	223 Å²	223	80.6 Å²	80.6	84%	0.842	43%	0.431	S	S	*	.			trans	-70.1	106.9	176.8	-70.8	-83.7	-172.3	138.8	2	109.4	S20 G24	S20-R22 PolarHBondContact O-N 3.38Å; R22-G24 PolarHBondContact O-N 2.7Å
23	K	68.4	Low	78.8	Confident	178 Å²	178	78.2 Å²	78.2	77%	0.774	42%	0.419	S	S	*	.			trans	-57.7	122.1	165.3	-173.9	176.7	178.4	-179.2	0	108.8	Y21	Y21-K23 PolarHBondContact O-N 3.25Å; Y21-K23 VanDerWaalsContact O-N 3.13Å
24	G	77.2	Confident	79.5	Confident	12 Å²	12	76.8 Å²	76.8	12%	0.124	41%	0.41	C	S	.	.			trans	-60.9	153.5	171.1	0	0	0	0	0	111.3	R22 S26	R22-G24 PolarHBondContact O-N 2.7Å; G24-S26 PolarHBondContact O-N 3.47Å
25	N	85.6	Confident	80.5	Confident	42 Å²	42	76.2 Å²	76.2	23%	0.225	41%	0.411	C	S	.	.			trans	-69.3	109.2	173.6	-178	9.9	0	0	0	109.3	D27 C28 Y83	N25-D27 PolarHBondContact O-N 3.05Å; N25-D27 VanDerWaalsContact O-N 3.1Å; N25-D27 WeakPolarHBondContact OD1-CB 3.5Å; N25-D27 PolarHBondContact OD1-N 2.91Å; N25-D27 VanDerWaalsContact OD1-N 3.12Å; N25-D27 PolarHBondContact OD1-OD2 3.45Å; N25-C28 WeakPolarHBondContact O-CB 3.44Å; N25-C28 PolarHBondContact O-N 3.2Å; N25-Y83 VanDerWaalsContact O-CE1 3.25Å; N25-Y83 WeakPolarHBondContact O-CE1 3.33Å
26	S	86.5	Confident	81.3	Confident	71 Å²	71	78.6 Å²	78.6	50%	0.497	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-56.5	-26.5	179.1	43.8	0	0	0	0	113.5	G24 C28 L29	G24-S26 PolarHBondContact O-N 3.47Å; S26-C28 PolarHBondContact O-N 3.3Å; S26-L29 WeakPolarHBondContact O-CB 3.32Å; S26-L29 PolarHBondContact O-N 2.87Å; S26-L29 VanDerWaalsContact O-N 3.07Å
27	D	92.3	Very high	82.4	Confident	56 Å²	56	75 Å²	75	30%	0.299	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-60.7	-35.5	-178.8	-62.6	-18.9	0	0	0	112	N25 L29 L30 N66	N25-D27 PolarHBondContact O-N 3.05Å; N25-D27 VanDerWaalsContact O-N 3.1Å; N25-D27 WeakPolarHBondContact OD1-CB 3.5Å; N25-D27 PolarHBondContact OD1-N 2.91Å; N25-D27 VanDerWaalsContact OD1-N 3.12Å; N25-D27 PolarHBondContact OD1-OD2 3.45Å; D27-L29 PolarHBondContact O-N 3.43Å; D27-L29 VanDerWaalsContact O-N 3.08Å; D27-L30 VanDerWaalsContact O-CB 3.31Å; D27-L30 WeakPolarHBondContact O-CB 3.27Å; D27-L30 WeakPolarHBondContact O-CG 3.48Å; D27-L30 PolarHBondContact O-N 3.02Å; D27-N66 VanDerWaalsContact O-CB 3.29Å; D27-N66 WeakPolarHBondContact O-CB 3.27Å
28	C	92.5	Very high	83.6	Confident	0 Å²	0	84.2 Å²	84.2	0%	0	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-67.2	-9.7	179.9	-55.4	0	0	0	0	113.7	N25 S26 Y46 C78 Y83	N25-C28 WeakPolarHBondContact O-CB 3.44Å; N25-C28 PolarHBondContact O-N 3.2Å; S26-C28 PolarHBondContact O-N 3.3Å; C28-Y46 HydrophobicContact CB-CD1 3.93Å; C28-Y46 HydrophobicContact CB-CG 4.44Å; C28-Y46 WeakPolarHBondContact O-CD1 3.34Å; C28-C78 HydrophobicContact CB-CB 3.68Å; C28-C78 WeakPolarHBondContact CB-SG 3.29Å; C28-C78 VanDerWaalsContact SG-CA 3.54Å; C28-C78 WeakPolarHBondContact SG-CB 3.26Å; C28-C78 CovalentContact SG-SG 2.03Å; C28-C78 PolarHBondContact SG-SG 3.5Å; C28-Y83 HydrophobicContact CB-CE1 4.28Å; C28-Y83 WeakPolarHBondContact CB-OH 3.43Å; C28-Y83 PolarHBondContact SG-OH 2.72Å
29	L	88.8	Confident	85.1	Confident	92 Å²	92	82.6 Å²	82.6	48%	0.482	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-92.2	-11.5	173.6	-65.7	177.1	0	0	0	112.9	S26 D27 Y83	S26-L29 WeakPolarHBondContact O-CB 3.32Å; S26-L29 PolarHBondContact O-N 2.87Å; S26-L29 VanDerWaalsContact O-N 3.07Å; D27-L29 PolarHBondContact O-N 3.43Å; D27-L29 VanDerWaalsContact O-N 3.08Å; L29-Y83 HydrophobicContact CD1-CD1 3.65Å; L29-Y83 HydrophobicContact CD1-CE1 4.24Å; L29-Y83 HydrophobicContact CD1-CG 3.93Å; L29-Y83 HydrophobicContact CD2-CD1 3.92Å; L29-Y83 HydrophobicContact CD2-CD2 3.49Å; L29-Y83 VanDerWaalsContact CD2-CD2 3.49Å; L29-Y83 HydrophobicContact CD2-CE1 4.15Å; L29-Y83 HydrophobicContact CD2-CE2 3.71Å; L29-Y83 HydrophobicContact CD2-CG 3.63Å; L29-Y83 HydrophobicContact CG-CD1 3.69Å; L29-Y83 HydrophobicContact CG-CD2 4.21Å; L29-Y83 HydrophobicContact CG-CE1 3.83Å; L29-Y83 HydrophobicContact CG-CE2 4.29Å; L29-Y83 HydrophobicContact CG-CG 3.94Å
30	L	91.7	Very high	86.6	Confident	77 Å²	77	85.3 Å²	85.3	40%	0.403	43%	0.431	S	S	.	.	S	Bend	trans	-76	151.6	178.5	-54.7	175.4	0	0	0	109.7	D27 N64 N66	D27-L30 VanDerWaalsContact O-CB 3.31Å; D27-L30 WeakPolarHBondContact O-CB 3.27Å; D27-L30 WeakPolarHBondContact O-CG 3.48Å; D27-L30 PolarHBondContact O-N 3.02Å; L30-N64 HydrophobicContact CD1-CB 3.92Å; L30-N66 HydrophobicContact CB-CB 4.29Å; L30-N66 PolarHBondContact O-ND2 3.47Å
31	D	90.6	Very high	88.3	Confident	59 Å²	59	84.1 Å²	84.1	32%	0.316	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-63.5	161	165.7	-83	-45.3	0	0	0	110.4	N64 V165	D31-N64 PolarHBondContact O-ND2 3.35Å; D31-N64 PolarHBondContact O-OD1 3.02Å; D31-V165 WeakPolarHBondContact OD1-CB 3.46Å; D31-V165 WeakPolarHBondContact OD1-CG2 3.38Å; D31-V165 PolarHBondContact OD1-N 2.03Å
32	Y	93.6	Very high	89.8	Confident	26 Å²	26	85.7 Å²	85.7	10%	0.102	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-64.2	147.6	166.3	66.1	-94.6	0	0	0	109.8	Y45 F56 K161 P162 S164	Y32-Y45 HydrophobicContact CD1-CD1 4.28Å; Y32-Y45 HydrophobicContact CD1-CD2 4.11Å; Y32-Y45 AromaticContact CD1-CE1 3.91Å; Y32-Y45 HydrophobicContact CD1-CE1 3.91Å; Y32-Y45 AromaticContact CD1-CE2 3.72Å; Y32-Y45 HydrophobicContact CD1-CE2 3.72Å; Y32-Y45 HydrophobicContact CD1-CG 4.39Å; Y32-Y45 AromaticContact CD1-CZ 3.64Å; Y32-Y45 HydrophobicContact CG-CD1 4.39Å; Y32-Y45 HydrophobicContact CG-CD2 4.47Å; Y32-Y45 HydrophobicContact CG-CE1 4.42Å; Y32-Y45 HydrophobicContact CG-CG 4.43Å; Y32-F56 HydrophobicContact CD2-CB 4.36Å; Y32-F56 HydrophobicContact CD2-CD2 4.19Å; Y32-F56 HydrophobicContact CG-CB 4.3Å; Y32-F56 HydrophobicContact CG-CD2 4.41Å; Y32-F56 HydrophobicContact CG-CG 4.4Å; Y32-K161 WeakPolarHBondContact OH-CE 3.46Å; Y32-P162 PolarHBondContact OH-O 3.29Å; Y32-S164 PolarHBondContact OH-N 2.95Å; Y32-S164 VanDerWaalsContact OH-N 3.12Å
33	D	95	Very high	91.3	Very high	62 Å²	62	77.7 Å²	77.7	33%	0.332	40%	0.395	S	S	.	.			trans	-137.2	119.6	179.4	-177.3	9.3	0	0	0	110.6	G35 N64	D33-G35 VanDerWaalsContact C-N 3.29Å; D33-G35 PolarHBondContact OD1-N 3.42Å; D33-N64 HydrophobicContact CB-CB 4.25Å; D33-N64 VanDerWaalsContact CB-ND2 3.33Å; D33-N64 WeakPolarHBondContact CB-ND2 3.4Å
34	E	93.7	Very high	92.7	Very high	67 Å²	67	70.3 Å²	70.3	31%	0.313	36%	0.364	S	S	.	.			trans	-75.8	-24	179.3	-56.4	-172.9	153	0	0	111.4	Y57 Y58 G59 K161	E34-Y57 WeakPolarHBondContact CG-O 3.34Å; E34-Y58 WeakPolarHBondContact O-CD2 3.36Å; E34-G59 WeakPolarHBondContact O-CA 3.39Å; E34-G59 PolarHBondContact O-N 2.77Å; E34-K161 WeakPolarHBondContact OE1-CE 3.44Å; E34-K161 IonicContact OE1-NZ 2.9Å; E34-K161 PolarHBondContact OE1-NZ 3.22Å; E34-K161 IonicContact OE2-NZ 2.97Å; E34-K161 PolarHBondContact OE2-NZ 2.99Å
35	G	95.3	Very high	93.6	Very high	24 Å²	24	69.9 Å²	69.9	25%	0.247	36%	0.358	C	S	.	.			trans	69.1	-169.4	-171.4	0	0	0	0	0	113.4	D33 C61 L62	D33-G35 VanDerWaalsContact C-N 3.29Å; D33-G35 PolarHBondContact OD1-N 3.42Å; G35-C61 WeakPolarHBondContact CA-O 3.43Å; G35-L62 WeakPolarHBondContact CA-O 3.07Å
36	I	93.1	Very high	94	Very high	132 Å²	132	68.7 Å²	68.7	68%	0.677	35%	0.351	S	S	*	.	S	Bend	trans	-90.7	-14.1	-172.3	69.2	171.4	0	0	0	114.2	L62	I36-L62 HydrophobicContact CD1-CD1 3.61Å; I36-L62 HydrophobicContact CG1-CD1 3.89Å
37	C	97.4	Very high	94.2	Very high	56 Å²	56	65.3 Å²	65.3	38%	0.378	33%	0.327	S	S	.	.			trans	-80.8	161.9	-179.3	-71.9	0	0	0	0	111.2	G59 C61	C37-G59 CarbonylContact C-O 3.57Å; C37-G59 VanDerWaalsContact C-O 3.28Å; C37-G59 WeakPolarHBondContact CB-O 3.18Å; C37-G59 WeakPolarHBondContact O-CA 3.22Å; C37-C61 HydrophobicContact CB-CB 3.92Å; C37-C61 WeakPolarHBondContact CB-SG 3.47Å; C37-C61 PolarHBondContact N-SG 3.02Å; C37-C61 WeakPolarHBondContact SG-CB 3.41Å; C37-C61 CovalentContact SG-SG 2.02Å; C37-C61 PolarHBondContact SG-SG 3.5Å
38	R	94.6	Very high	93.9	Very high	244 Å²	244	64.2 Å²	64.2	92%	0.921	32%	0.324	S	S	*	.			trans	-114.3	25.1	-170.7	-59.1	-177.9	-176.7	175.9	-0.2	114.1	G59	R38-G59 PolarHBondContact N-O 3.14Å
39	A	95.1	Very high	93.4	Very high	44 Å²	44	66.9 Å²	66.9	36%	0.364	34%	0.34	S	S	.	.			trans	-74.6	159	170.7	0	0	0	0	0	110.8	L41 G59	A39-L41 HydrophobicContact CB-CD1 4.36Å; A39-L41 HydrophobicContact CB-CD2 4.42Å; A39-L41 HydrophobicContact CB-CG 3.96Å; A39-G59 WeakPolarHBondContact CB-O 3.32Å; A39-G59 PolarHBondContact N-O 3.33Å; A39-G59 WeakPolarHBondContact O-CA 3.42Å
40	L	95.3	Very high	93.3	Very high	145 Å²	145	66.7 Å²	66.7	76%	0.759	34%	0.34	S	S	*	.			trans	-113	70.8	175.8	-69.6	175	0	0	0	109.9
41	L	97	Very high	93.1	Very high	70 Å²	70	69.6 Å²	69.6	37%	0.366	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	114.5	-178	-54.7	177.5	0	0	0	110.1	A39 R43 Y57 Y58	A39-L41 HydrophobicContact CB-CD1 4.36Å; A39-L41 HydrophobicContact CB-CD2 4.42Å; A39-L41 HydrophobicContact CB-CG 3.96Å; L41-R43 PolarHBondContact O-N 3.45Å; L41-Y57 CarbonylContact O-C 3.57Å; L41-Y57 WeakPolarHBondContact O-CA 3.49Å; L41-Y58 WeakPolarHBondContact CB-O 3.44Å; L41-Y58 HydrophobicContact CD1-CD1 4.23Å; L41-Y58 PolarHBondContact N-O 3.43Å; L41-Y58 VanDerWaalsContact N-O 3.1Å; L41-Y58 PolarHBondContact O-N 3.24Å
42	K	96.9	Very high	93.1	Very high	120 Å²	120	69.7 Å²	69.7	52%	0.522	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	122.9	173.5	-177.8	-177.9	176.9	179.8	0	110	I55 Y57	K42-I55 HydrophobicContact CG-CG2 4Å; K42-Y57 HydrophobicContact CB-CE1 4.42Å
43	R	97.8	Very high	93.1	Very high	54 Å²	54	69 Å²	69	20%	0.204	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	168.1	176.9	-64.3	-63.5	177.3	89.7	-2.2	110.2	L41 I55 F56 Y58 N67 F68	L41-R43 PolarHBondContact O-N 3.45Å; R43-I55 WeakPolarHBondContact O-CA 3.38Å; R43-F56 HydrophobicContact CB-CD1 3.91Å; R43-F56 HydrophobicContact CB-CE1 3.42Å; R43-F56 VanDerWaalsContact CB-CE1 3.42Å; R43-F56 HydrophobicContact CB-CE2 4.42Å; R43-F56 HydrophobicContact CB-CZ 3.73Å; R43-F56 PolarHBondContact N-O 3.23Å; R43-F56 PolarHBondContact O-N 3.15Å; R43-F56 VanDerWaalsContact O-O 3.08Å; R43-Y58 HydrophobicContact CG-CD1 4.45Å; R43-Y58 HydrophobicContact CG-CG 4.37Å; R43-N67 WeakPolarHBondContact CB-OD1 3.31Å; R43-N67 VanDerWaalsContact CD-OD1 3.25Å; R43-N67 WeakPolarHBondContact CD-OD1 3.39Å; R43-N67 WeakPolarHBondContact CG-OD1 3.36Å; R43-N67 PolarHBondContact NH1-OD1 2.91Å; R43-F68 CarbonylContact C-O 3.45Å; R43-F68 WeakPolarHBondContact CA-O 3.01Å; R43-F68 WeakPolarHBondContact CD-O 3.32Å
44	F	97.5	Very high	93.1	Very high	24 Å²	24	68.4 Å²	68.4	11%	0.105	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.6	176.7	-64.7	-95	0	0	0	109.8	E54 I55 F68 K71 C74	F44-E54 CarbonylContact C-O 3.56Å; F44-E54 VanDerWaalsContact CA-O 3.25Å; F44-E54 WeakPolarHBondContact CA-O 3.23Å; F44-I55 HydrophobicContact CD1-CG1 3.88Å; F44-I55 HydrophobicContact CE1-CD1 4.16Å; F44-I55 HydrophobicContact CE1-CG1 3.44Å; F44-I55 VanDerWaalsContact CE1-CG1 3.44Å; F44-I55 HydrophobicContact CZ-CG1 4.04Å; F44-F68 HydrophobicContact CB-CB 4.36Å; F44-F68 PolarHBondContact N-O 3.39Å; F44-F68 VanDerWaalsContact O-CD2 3.28Å; F44-F68 WeakPolarHBondContact O-CD2 3.24Å; F44-F68 PolarHBondContact O-N 2.93Å; F44-K71 HydrophobicContact CD1-CB 3.82Å; F44-K71 HydrophobicContact CD1-CG 4.14Å; F44-K71 HydrophobicContact CE1-CB 3.63Å; F44-K71 HydrophobicContact CE1-CG 4.14Å; F44-K71 HydrophobicContact CG-CB 4.36Å; F44-K71 HydrophobicContact CZ-CB 4.03Å; F44-C74 HydrophobicContact CB-CB 4.09Å
45	Y	95.9	Very high	93.2	Very high	3 Å²	3	68.9 Å²	68.9	1%	0.012	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	153.5	172.3	80.5	-77.5	0	0	0	108.8	Y32 D47 C53 E54 F56 N66	Y32-Y45 HydrophobicContact CD1-CD1 4.28Å; Y32-Y45 HydrophobicContact CD1-CD2 4.11Å; Y32-Y45 AromaticContact CD1-CE1 3.91Å; Y32-Y45 HydrophobicContact CD1-CE1 3.91Å; Y32-Y45 AromaticContact CD1-CE2 3.72Å; Y32-Y45 HydrophobicContact CD1-CE2 3.72Å; Y32-Y45 HydrophobicContact CD1-CG 4.39Å; Y32-Y45 AromaticContact CD1-CZ 3.64Å; Y32-Y45 HydrophobicContact CG-CD1 4.39Å; Y32-Y45 HydrophobicContact CG-CD2 4.47Å; Y32-Y45 HydrophobicContact CG-CE1 4.42Å; Y32-Y45 HydrophobicContact CG-CG 4.43Å; Y45-D47 HydrophobicContact CE2-CB 4.04Å; Y45-C53 CarbonylContact O-C 3.58Å; Y45-C53 VanDerWaalsContact O-CA 3.32Å; Y45-C53 WeakPolarHBondContact O-CA 3.41Å; Y45-E54 HydrophobicContact CD1-CB 4.13Å; Y45-E54 WeakPolarHBondContact CD1-O 3.33Å; Y45-E54 HydrophobicContact CE1-CB 3.48Å; Y45-E54 VanDerWaalsContact CE1-CB 3.48Å; Y45-E54 PolarHBondContact N-O 2.84Å; Y45-E54 PolarHBondContact O-N 2.92Å; Y45-E54 PolarHBondContact OH-OE2 3.43Å; Y45-F56 HydrophobicContact CD1-CB 3.98Å; Y45-F56 AromaticContact CD1-CD1 3.74Å; Y45-F56 HydrophobicContact CD1-CD1 3.74Å; Y45-F56 HydrophobicContact CD1-CG 4.15Å; Y45-F56 HydrophobicContact CE1-CB 4.35Å; Y45-F56 HydrophobicContact CG-CD1 4.16Å; Y45-N66 WeakPolarHBondContact CA-OD1 3.08Å; Y45-N66 WeakPolarHBondContact CB-O 3.36Å
46	Y	93.6	Very high	93.2	Very high	16 Å²	16	68.2 Å²	68.2	6%	0.063	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	116.9	174.5	-173.9	-109	0	0	0	110.2	C28 S48 N66 C78 Y83	C28-Y46 HydrophobicContact CB-CD1 3.93Å; C28-Y46 HydrophobicContact CB-CG 4.44Å; C28-Y46 WeakPolarHBondContact O-CD1 3.34Å; Y46-S48 PolarHBondContact O-N 2.96Å; Y46-N66 PolarHBondContact N-ND2 3.32Å; Y46-N66 PolarHBondContact N-OD1 3.35Å; Y46-N66 PolarHBondContact O-ND2 2.9Å; Y46-C78 HydrophobicContact CD1-CB 3.66Å; Y46-C78 HydrophobicContact CD2-CB 3.4Å; Y46-C78 VanDerWaalsContact CD2-CB 3.4Å; Y46-C78 HydrophobicContact CE1-CB 4.07Å; Y46-C78 HydrophobicContact CE2-CB 3.87Å; Y46-C78 HydrophobicContact CG-CB 3.27Å; Y46-Y83 HydrophobicContact CE1-CE2 4.37Å
47	D	91.2	Very high	93.4	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	105	167.2	-174.5	-32.4	0	0	0	108.1	Y45 V49 N50 Q51 T52 E54 K168	Y45-D47 HydrophobicContact CE2-CB 4.04Å; D47-V49 PolarHBondContact O-N 3.37Å; D47-V49 WeakPolarHBondContact OD1-CA 3.23Å; D47-V49 VanDerWaalsContact OD1-CB 3.23Å; D47-V49 WeakPolarHBondContact OD1-CB 3.36Å; D47-V49 PolarHBondContact OD1-N 2.76Å; D47-N50 HydrophobicContact CB-CB 4.27Å; D47-N50 PolarHBondContact O-N 3.5Å; D47-N50 PolarHBondContact OD1-N 3.28Å; D47-N50 PolarHBondContact OD2-ND2 3.22Å; D47-N50 VanDerWaalsContact OD2-ND2 3.09Å; D47-Q51 VanDerWaalsContact O-CA 3.23Å; D47-Q51 WeakPolarHBondContact O-CA 3.03Å; D47-Q51 PolarHBondContact O-N 3.41Å; D47-T52 PolarHBondContact N-O 3.49Å; D47-T52 PolarHBondContact O-N 3.18Å; D47-E54 HydrophobicContact CB-CG 4.49Å; D47-K168 IonicContact OD2-NZ 3.35Å; D47-K168 PolarHBondContact OD2-NZ 3.13Å
48	S	84.5	Confident	93.3	Very high	33 Å²	33	66.5 Å²	66.5	23%	0.231	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-15.5	-179.8	68.6	0	0	0	0	114.3	Y46	Y46-S48 PolarHBondContact O-N 2.96Å
49	V	82.8	Confident	93.4	Very high	57 Å²	57	55.1 Å²	55.1	35%	0.345	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-51.5	175.1	-177.8	0	0	0	0	109.4	D47 Q51 V165	D47-V49 PolarHBondContact O-N 3.37Å; D47-V49 WeakPolarHBondContact OD1-CA 3.23Å; D47-V49 VanDerWaalsContact OD1-CB 3.23Å; D47-V49 WeakPolarHBondContact OD1-CB 3.36Å; D47-V49 PolarHBondContact OD1-N 2.76Å; V49-Q51 VanDerWaalsContact C-N 3.34Å; V49-V165 HydrophobicContact CG2-CG1 3.61Å; V49-V165 HydrophobicContact CG2-CG2 4.18Å
50	N	86.1	Confident	93.4	Very high	88 Å²	88	54.7 Å²	54.7	47%	0.471	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-14.2	179.8	-69.3	-33	0	0	0	113.2	D47 T52 E54	D47-N50 HydrophobicContact CB-CB 4.27Å; D47-N50 PolarHBondContact O-N 3.5Å; D47-N50 PolarHBondContact OD1-N 3.28Å; D47-N50 PolarHBondContact OD2-ND2 3.22Å; D47-N50 VanDerWaalsContact OD2-ND2 3.09Å; N50-T52 WeakPolarHBondContact CB-OG1 3.25Å; N50-T52 PolarHBondContact O-N 3.4Å; N50-E54 PolarHBondContact ND2-OE1 3.28Å
51	Q	87.1	Confident	93.5	Very high	137 Å²	137	49.3 Å²	49.3	64%	0.64	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	36.8	-173.4	-56.6	-176.8	-15	0	0	112.6	D47 V49	D47-Q51 VanDerWaalsContact O-CA 3.23Å; D47-Q51 WeakPolarHBondContact O-CA 3.03Å; D47-Q51 PolarHBondContact O-N 3.41Å; V49-Q51 VanDerWaalsContact C-N 3.34Å
52	T	91	Very high	93.5	Very high	62 Å²	62	52 Å²	52	38%	0.38	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.9	-176.3	51.2	0	0	0	0	111.4	D47 N50	D47-T52 PolarHBondContact N-O 3.49Å; D47-T52 PolarHBondContact O-N 3.18Å; N50-T52 WeakPolarHBondContact CB-OG1 3.25Å; N50-T52 PolarHBondContact O-N 3.4Å
53	C	95	Very high	93.4	Very high	11 Å²	11	47.4 Å²	47.4	7%	0.074	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	118.1	168.3	-70.5	0	0	0	0	110.5	Y45 K71 C74 E75	Y45-C53 CarbonylContact O-C 3.58Å; Y45-C53 VanDerWaalsContact O-CA 3.32Å; Y45-C53 WeakPolarHBondContact O-CA 3.41Å; C53-K71 HydrophobicContact CB-CG 4.07Å; C53-C74 HydrophobicContact CB-CB 3.74Å; C53-C74 WeakPolarHBondContact CB-SG 3.23Å; C53-C74 WeakPolarHBondContact SG-CB 3.46Å; C53-C74 CovalentContact SG-SG 2.03Å; C53-C74 PolarHBondContact SG-SG 3.06Å; C53-E75 HydrophobicContact CB-CG 4.04Å; C53-E75 PolarHBondContact SG-N 3.32Å
54	E	94.9	Very high	93.4	Very high	50 Å²	50	47 Å²	47	23%	0.234	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	159.9	-178.3	-68	-173.6	-175.6	0	0	111.1	F44 Y45 D47 N50	F44-E54 CarbonylContact C-O 3.56Å; F44-E54 VanDerWaalsContact CA-O 3.25Å; F44-E54 WeakPolarHBondContact CA-O 3.23Å; Y45-E54 HydrophobicContact CD1-CB 4.13Å; Y45-E54 WeakPolarHBondContact CD1-O 3.33Å; Y45-E54 HydrophobicContact CE1-CB 3.48Å; Y45-E54 VanDerWaalsContact CE1-CB 3.48Å; Y45-E54 PolarHBondContact N-O 2.84Å; Y45-E54 PolarHBondContact O-N 2.92Å; Y45-E54 PolarHBondContact OH-OE2 3.43Å; D47-E54 HydrophobicContact CB-CG 4.49Å; N50-E54 PolarHBondContact ND2-OE1 3.28Å
55	I	95.7	Very high	93.3	Very high	77 Å²	77	47.3 Å²	47.3	40%	0.395	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	139.4	179.4	-65.1	163.7	0	0	0	109.7	K42 R43 F44	K42-I55 HydrophobicContact CG-CG2 4Å; R43-I55 WeakPolarHBondContact O-CA 3.38Å; F44-I55 HydrophobicContact CD1-CG1 3.88Å; F44-I55 HydrophobicContact CE1-CD1 4.16Å; F44-I55 HydrophobicContact CE1-CG1 3.44Å; F44-I55 VanDerWaalsContact CE1-CG1 3.44Å; F44-I55 HydrophobicContact CZ-CG1 4.04Å
56	F	95.3	Very high	93.4	Very high	9 Å²	9	47.1 Å²	47.1	4%	0.039	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	170.1	164.6	79.3	-72.5	0	0	0	110.6	Y32 R43 Y45 N67	Y32-F56 HydrophobicContact CD2-CB 4.36Å; Y32-F56 HydrophobicContact CD2-CD2 4.19Å; Y32-F56 HydrophobicContact CG-CB 4.3Å; Y32-F56 HydrophobicContact CG-CD2 4.41Å; Y32-F56 HydrophobicContact CG-CG 4.4Å; R43-F56 HydrophobicContact CB-CD1 3.91Å; R43-F56 HydrophobicContact CB-CE1 3.42Å; R43-F56 VanDerWaalsContact CB-CE1 3.42Å; R43-F56 HydrophobicContact CB-CE2 4.42Å; R43-F56 HydrophobicContact CB-CZ 3.73Å; R43-F56 PolarHBondContact N-O 3.23Å; R43-F56 PolarHBondContact O-N 3.15Å; R43-F56 VanDerWaalsContact O-O 3.08Å; Y45-F56 HydrophobicContact CD1-CB 3.98Å; Y45-F56 AromaticContact CD1-CD1 3.74Å; Y45-F56 HydrophobicContact CD1-CD1 3.74Å; Y45-F56 HydrophobicContact CD1-CG 4.15Å; Y45-F56 HydrophobicContact CE1-CB 4.35Å; Y45-F56 HydrophobicContact CG-CD1 4.16Å; F56-N67 HydrophobicContact CE1-CB 4.44Å; F56-N67 HydrophobicContact CZ-CB 3.85Å
57	Y	96	Very high	93.6	Very high	126 Å²	126	47.6 Å²	47.6	49%	0.494	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.6	179	-67.9	-83.9	0	0	0	110.4	E34 L41 K42	E34-Y57 WeakPolarHBondContact CG-O 3.34Å; L41-Y57 CarbonylContact O-C 3.57Å; L41-Y57 WeakPolarHBondContact O-CA 3.49Å; K42-Y57 HydrophobicContact CB-CE1 4.42Å
58	Y	96.7	Very high	93.9	Very high	27 Å²	27	47.9 Å²	47.9	11%	0.106	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.6	179.1	177.7	-132.2	0	0	0	111.1	E34 L41 R43 G60 C61 L62 G63 N67	E34-Y58 WeakPolarHBondContact O-CD2 3.36Å; L41-Y58 WeakPolarHBondContact CB-O 3.44Å; L41-Y58 HydrophobicContact CD1-CD1 4.23Å; L41-Y58 PolarHBondContact N-O 3.43Å; L41-Y58 VanDerWaalsContact N-O 3.1Å; L41-Y58 PolarHBondContact O-N 3.24Å; R43-Y58 HydrophobicContact CG-CD1 4.45Å; R43-Y58 HydrophobicContact CG-CG 4.37Å; Y58-G60 VanDerWaalsContact CE1-C 3.46Å; Y58-G60 VanDerWaalsContact CZ-C 3.44Å; Y58-G60 PolarHBondContact O-N 3.09Å; Y58-C61 VanDerWaalsContact CZ-N 3.35Å; Y58-C61 WeakPolarHBondContact OH-CA 3.41Å; Y58-C61 PolarHBondContact OH-N 2.89Å; Y58-C61 PolarHBondContact OH-O 2.87Å; Y58-L62 PolarHBondContact OH-N 3.43Å; Y58-G63 PolarHBondContact OH-N 3.23Å; Y58-N67 WeakPolarHBondContact CD1-ND2 3.44Å; Y58-N67 VanDerWaalsContact CD2-ND2 3.31Å; Y58-N67 WeakPolarHBondContact CD2-ND2 2.97Å
59	G	95.3	Very high	94.5	Very high	4 Å²	4	52.1 Å²	52.1	4%	0.041	29%	0.289	C	S	.	.			trans	-65	-16	178.3	0	0	0	0	0	114.3	E34 C37 R38 A39	E34-G59 WeakPolarHBondContact O-CA 3.39Å; E34-G59 PolarHBondContact O-N 2.77Å; C37-G59 CarbonylContact C-O 3.57Å; C37-G59 VanDerWaalsContact C-O 3.28Å; C37-G59 WeakPolarHBondContact CB-O 3.18Å; C37-G59 WeakPolarHBondContact O-CA 3.22Å; R38-G59 PolarHBondContact N-O 3.14Å; A39-G59 WeakPolarHBondContact CB-O 3.32Å; A39-G59 PolarHBondContact N-O 3.33Å; A39-G59 WeakPolarHBondContact O-CA 3.42Å
60	G	96.2	Very high	95.2	Very high	35 Å²	35	51.3 Å²	51.3	36%	0.361	29%	0.286	S	S	.	.	S	Bend	trans	101.3	-8.8	173.3	0	0	0	0	0	115.4	Y58	Y58-G60 VanDerWaalsContact CE1-C 3.46Å; Y58-G60 VanDerWaalsContact CZ-C 3.44Å; Y58-G60 PolarHBondContact O-N 3.09Å
61	C	97.4	Very high	95.7	Very high	33 Å²	33	51.4 Å²	51.4	22%	0.223	28%	0.282	C	S	.	.	S	Bend	trans	-147.5	156.1	173.9	75.7	0	0	0	0	111.7	G35 C37 Y58 G63	G35-C61 WeakPolarHBondContact CA-O 3.43Å; C37-C61 HydrophobicContact CB-CB 3.92Å; C37-C61 WeakPolarHBondContact CB-SG 3.47Å; C37-C61 PolarHBondContact N-SG 3.02Å; C37-C61 WeakPolarHBondContact SG-CB 3.41Å; C37-C61 CovalentContact SG-SG 2.02Å; C37-C61 PolarHBondContact SG-SG 3.5Å; Y58-C61 VanDerWaalsContact CZ-N 3.35Å; Y58-C61 WeakPolarHBondContact OH-CA 3.41Å; Y58-C61 PolarHBondContact OH-N 2.89Å; Y58-C61 PolarHBondContact OH-O 2.87Å; C61-G63 VanDerWaalsContact C-N 3.26Å; C61-G63 PolarHBondContact O-N 2.85Å; C61-G63 VanDerWaalsContact O-N 3.15Å
62	L	96.7	Very high	96.2	Very high	125 Å²	125	51 Å²	51	65%	0.654	28%	0.28	S	S	*	.	S	Bend	trans	50.4	38.9	173.1	-57	-176.7	0	0	0	114.9	G35 I36 Y58	G35-L62 WeakPolarHBondContact CA-O 3.07Å; I36-L62 HydrophobicContact CD1-CD1 3.61Å; I36-L62 HydrophobicContact CG1-CD1 3.89Å; Y58-L62 PolarHBondContact OH-N 3.43Å
63	G	95.1	Very high	96.4	Very high	25 Å²	25	50.3 Å²	50.3	26%	0.258	27%	0.273	S	S	.	.			trans	-94.2	164.6	168.1	0	0	0	0	0	109.2	Y58 C61	Y58-G63 PolarHBondContact OH-N 3.23Å; C61-G63 VanDerWaalsContact C-N 3.26Å; C61-G63 PolarHBondContact O-N 2.85Å; C61-G63 VanDerWaalsContact O-N 3.15Å
64	N	97.2	Very high	96.5	Very high	45 Å²	45	49.8 Å²	49.8	24%	0.241	27%	0.269	C	S	.	.			trans	-83.4	-177.3	176.6	72.6	37.9	0	0	0	113.1	L30 D31 D33 N66 N67	L30-N64 HydrophobicContact CD1-CB 3.92Å; D31-N64 PolarHBondContact O-ND2 3.35Å; D31-N64 PolarHBondContact O-OD1 3.02Å; D33-N64 HydrophobicContact CB-CB 4.25Å; D33-N64 VanDerWaalsContact CB-ND2 3.33Å; D33-N64 WeakPolarHBondContact CB-ND2 3.4Å; N64-N66 VanDerWaalsContact C-N 3.32Å; N64-N66 PolarHBondContact O-N 2.94Å; N64-N66 WeakPolarHBondContact OD1-CB 3.18Å; N64-N66 PolarHBondContact OD1-N 3.21Å; N64-N67 WeakPolarHBondContact O-CB 3.1Å
65	G	95.8	Very high	96.5	Very high	30 Å²	30	51.5 Å²	51.5	31%	0.309	28%	0.277	S	S	.	.	S	Bend	trans	-74.3	-11.7	-175.5	0	0	0	0	0	115.8	N67	G65-N67 PolarHBondContact O-N 3.48Å
66	N	97.3	Very high	96.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.29	C	S	.	.			trans	-78.8	56.4	175.5	-157.6	3.1	0	0	0	110.8	D27 L30 Y45 Y46 N64 F68	D27-N66 VanDerWaalsContact O-CB 3.29Å; D27-N66 WeakPolarHBondContact O-CB 3.27Å; L30-N66 HydrophobicContact CB-CB 4.29Å; L30-N66 PolarHBondContact O-ND2 3.47Å; Y45-N66 WeakPolarHBondContact CA-OD1 3.08Å; Y45-N66 WeakPolarHBondContact CB-O 3.36Å; Y46-N66 PolarHBondContact N-ND2 3.32Å; Y46-N66 PolarHBondContact N-OD1 3.35Å; Y46-N66 PolarHBondContact O-ND2 2.9Å; N64-N66 VanDerWaalsContact C-N 3.32Å; N64-N66 PolarHBondContact O-N 2.94Å; N64-N66 WeakPolarHBondContact OD1-CB 3.18Å; N64-N66 PolarHBondContact OD1-N 3.21Å; N66-F68 WeakPolarHBondContact OD1-CE2 2.88Å
67	N	97.5	Very high	96.3	Very high	26 Å²	26	59 Å²	59	14%	0.139	30%	0.302	C	S	.	.			trans	-147.5	101.6	-166.9	-173.5	-30.5	0	0	0	109.9	R43 F56 Y58 N64 G65	R43-N67 WeakPolarHBondContact CB-OD1 3.31Å; R43-N67 VanDerWaalsContact CD-OD1 3.25Å; R43-N67 WeakPolarHBondContact CD-OD1 3.39Å; R43-N67 WeakPolarHBondContact CG-OD1 3.36Å; R43-N67 PolarHBondContact NH1-OD1 2.91Å; F56-N67 HydrophobicContact CE1-CB 4.44Å; F56-N67 HydrophobicContact CZ-CB 3.85Å; Y58-N67 WeakPolarHBondContact CD1-ND2 3.44Å; Y58-N67 VanDerWaalsContact CD2-ND2 3.31Å; Y58-N67 WeakPolarHBondContact CD2-ND2 2.97Å; N64-N67 WeakPolarHBondContact O-CB 3.1Å; G65-N67 PolarHBondContact O-N 3.48Å
68	F	97.9	Very high	96.1	Very high	5 Å²	5	53 Å²	53	2%	0.022	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-119.5	150.2	-174	-51.8	-68.9	0	0	0	111.4	R43 F44 N66 E73 C74 K77	R43-F68 CarbonylContact C-O 3.45Å; R43-F68 WeakPolarHBondContact CA-O 3.01Å; R43-F68 WeakPolarHBondContact CD-O 3.32Å; F44-F68 HydrophobicContact CB-CB 4.36Å; F44-F68 PolarHBondContact N-O 3.39Å; F44-F68 VanDerWaalsContact O-CD2 3.28Å; F44-F68 WeakPolarHBondContact O-CD2 3.24Å; F44-F68 PolarHBondContact O-N 2.93Å; N66-F68 WeakPolarHBondContact OD1-CE2 2.88Å; F68-E73 HydrophobicContact CB-CB 4.41Å; F68-E73 HydrophobicContact CB-CG 4.44Å; F68-E73 HydrophobicContact CD1-CG 4.2Å; F68-C74 HydrophobicContact CB-CB 3.91Å; F68-C74 HydrophobicContact CD2-CB 3.36Å; F68-C74 HydrophobicContact CE2-CB 4.11Å; F68-C74 HydrophobicContact CG-CB 3.8Å; F68-K77 HydrophobicContact CD1-CD 3.77Å; F68-K77 HydrophobicContact CE1-CB 4.26Å; F68-K77 HydrophobicContact CE1-CD 3.3Å; F68-K77 HydrophobicContact CE1-CG 4.41Å; F68-K77 HydrophobicContact CZ-CB 4.36Å; F68-K77 HydrophobicContact CZ-CD 4.17Å
69	L	97.2	Very high	95.6	Very high	123 Å²	123	54 Å²	54	64%	0.644	30%	0.297	S	S	*	.	S	Bend	trans	-77.6	-27.2	-177.9	-71.8	170.3	0	0	0	112.9	E73	L69-E73 PolarHBondContact N-OE2 2.89Å
70	S	97.7	Very high	94.8	Very high	40 Å²	40	57.3 Å²	57.3	28%	0.28	33%	0.331	S	S	.	.	S	Bend	trans	-136.8	157.9	-176.4	63.8	0	0	0	0	111	E72 E73 C74	S70-E72 VanDerWaalsContact C-N 3.29Å; S70-E72 WeakPolarHBondContact CB-OE2 3.2Å; S70-E73 PolarHBondContact O-N 3.49Å; S70-E73 VanDerWaalsContact OG-CB 3.24Å; S70-E73 WeakPolarHBondContact OG-CB 3.45Å; S70-E73 PolarHBondContact OG-N 3.48Å; S70-C74 PolarHBondContact O-N 2.91Å
71	K	97.4	Very high	93.3	Very high	89 Å²	89	58.3 Å²	58.3	39%	0.387	33%	0.326	S	S	.	.	H	α-helix	trans	-64.8	-40.5	177.6	-168.5	-178.2	-179.8	-153.8	0	110.4	F44 C53 E73 C74 E75	F44-K71 HydrophobicContact CD1-CB 3.82Å; F44-K71 HydrophobicContact CD1-CG 4.14Å; F44-K71 HydrophobicContact CE1-CB 3.63Å; F44-K71 HydrophobicContact CE1-CG 4.14Å; F44-K71 HydrophobicContact CG-CB 4.36Å; F44-K71 HydrophobicContact CZ-CB 4.03Å; C53-K71 HydrophobicContact CB-CG 4.07Å; K71-E73 VanDerWaalsContact C-N 3.34Å; K71-E73 PolarHBondContact O-N 3.3Å; K71-C74 WeakPolarHBondContact O-CB 3.03Å; K71-C74 PolarHBondContact O-N 2.93Å; K71-E75 WeakPolarHBondContact CE-OE1 3.36Å; K71-E75 HydrophobicContact CG-CG 4.45Å; K71-E75 IonicContact NZ-OE1 2.68Å; K71-E75 PolarHBondContact NZ-OE1 3.31Å; K71-E75 WeakPolarHBondContact O-CG 3.12Å; K71-E75 PolarHBondContact O-N 3.23Å
72	E	97.1	Very high	91.4	Very high	130 Å²	130	61.3 Å²	61.3	61%	0.607	34%	0.339	S	S	*	.	H	α-helix	trans	-63.8	-39.5	-179	-60.7	72.1	-159	0	0	111.2	S70 R76	S70-E72 VanDerWaalsContact C-N 3.29Å; S70-E72 WeakPolarHBondContact CB-OE2 3.2Å; E72-R76 WeakPolarHBondContact O-CB 3.13Å; E72-R76 PolarHBondContact O-N 3.5Å
73	E	96.3	Very high	89.5	Confident	47 Å²	47	57 Å²	57	22%	0.22	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-44.9	174.9	-174.6	-171.6	178.5	0	0	111.7	F68 L69 S70 K71 K77	F68-E73 HydrophobicContact CB-CB 4.41Å; F68-E73 HydrophobicContact CB-CG 4.44Å; F68-E73 HydrophobicContact CD1-CG 4.2Å; L69-E73 PolarHBondContact N-OE2 2.89Å; S70-E73 PolarHBondContact O-N 3.49Å; S70-E73 VanDerWaalsContact OG-CB 3.24Å; S70-E73 WeakPolarHBondContact OG-CB 3.45Å; S70-E73 PolarHBondContact OG-N 3.48Å; K71-E73 VanDerWaalsContact C-N 3.34Å; K71-E73 PolarHBondContact O-N 3.3Å; E73-K77 HydrophobicContact CG-CD 4.18Å; E73-K77 WeakPolarHBondContact O-CB 3.2Å; E73-K77 WeakPolarHBondContact O-CG 3.37Å; E73-K77 PolarHBondContact O-N 3.49Å; E73-K77 WeakPolarHBondContact OE1-CE 3.39Å; E73-K77 IonicContact OE1-NZ 3.26Å; E73-K77 PolarHBondContact OE1-NZ 2.74Å
74	C	96.9	Very high	87.4	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-59.3	-50.4	176.3	174.2	0	0	0	0	111.1	F44 C53 F68 S70 K71 R76 K77 C78	F44-C74 HydrophobicContact CB-CB 4.09Å; C53-C74 HydrophobicContact CB-CB 3.74Å; C53-C74 WeakPolarHBondContact CB-SG 3.23Å; C53-C74 WeakPolarHBondContact SG-CB 3.46Å; C53-C74 CovalentContact SG-SG 2.03Å; C53-C74 PolarHBondContact SG-SG 3.06Å; F68-C74 HydrophobicContact CB-CB 3.91Å; F68-C74 HydrophobicContact CD2-CB 3.36Å; F68-C74 HydrophobicContact CE2-CB 4.11Å; F68-C74 HydrophobicContact CG-CB 3.8Å; S70-C74 PolarHBondContact O-N 2.91Å; K71-C74 WeakPolarHBondContact O-CB 3.03Å; K71-C74 PolarHBondContact O-N 2.93Å; C74-R76 PolarHBondContact O-N 2.86Å; C74-K77 PolarHBondContact O-N 3.24Å; C74-C78 WeakPolarHBondContact O-CB 3.42Å; C74-C78 PolarHBondContact O-N 2.91Å
75	E	94.9	Very high	85.1	Confident	85 Å²	85	62.7 Å²	62.7	40%	0.397	34%	0.34	S	S	.	.	H	α-helix	trans	-64.6	-41.7	-178.8	-72.1	176.8	169.1	0	0	111.4	C53 K71 K77 C78 G79	C53-E75 HydrophobicContact CB-CG 4.04Å; C53-E75 PolarHBondContact SG-N 3.32Å; K71-E75 WeakPolarHBondContact CE-OE1 3.36Å; K71-E75 HydrophobicContact CG-CG 4.45Å; K71-E75 IonicContact NZ-OE1 2.68Å; K71-E75 PolarHBondContact NZ-OE1 3.31Å; K71-E75 WeakPolarHBondContact O-CG 3.12Å; K71-E75 PolarHBondContact O-N 3.23Å; E75-K77 VanDerWaalsContact C-N 3.3Å; E75-K77 PolarHBondContact O-N 3.44Å; E75-C78 PolarHBondContact O-N 3.3Å; E75-G79 VanDerWaalsContact O-CA 3.27Å; E75-G79 WeakPolarHBondContact O-CA 3.32Å; E75-G79 PolarHBondContact O-N 3.43Å
76	R	93.3	Very high	82.9	Confident	178 Å²	178	64.2 Å²	64.2	67%	0.672	34%	0.339	S	S	*	.	H	α-helix	trans	-62.7	-37.9	175.6	-176.2	-174.3	59.5	74.7	-0.5	112.2	E72 C74	E72-R76 WeakPolarHBondContact O-CB 3.13Å; E72-R76 PolarHBondContact O-N 3.5Å; C74-R76 PolarHBondContact O-N 2.86Å
77	K	92.2	Very high	80.6	Confident	67 Å²	67	68.2 Å²	68.2	29%	0.291	36%	0.356	S	S	.	.	H	α-helix	trans	-79.3	-33.4	-179.9	-78.1	179.5	172.2	171.5	0	112.7	F68 E73 C74 E75 Q81	F68-K77 HydrophobicContact CD1-CD 3.77Å; F68-K77 HydrophobicContact CE1-CB 4.26Å; F68-K77 HydrophobicContact CE1-CD 3.3Å; F68-K77 HydrophobicContact CE1-CG 4.41Å; F68-K77 HydrophobicContact CZ-CB 4.36Å; F68-K77 HydrophobicContact CZ-CD 4.17Å; E73-K77 HydrophobicContact CG-CD 4.18Å; E73-K77 WeakPolarHBondContact O-CB 3.2Å; E73-K77 WeakPolarHBondContact O-CG 3.37Å; E73-K77 PolarHBondContact O-N 3.49Å; E73-K77 WeakPolarHBondContact OE1-CE 3.39Å; E73-K77 IonicContact OE1-NZ 3.26Å; E73-K77 PolarHBondContact OE1-NZ 2.74Å; C74-K77 PolarHBondContact O-N 3.24Å; E75-K77 VanDerWaalsContact C-N 3.3Å; E75-K77 PolarHBondContact O-N 3.44Å; K77-Q81 PolarHBondContact O-NE2 3.47Å; K77-Q81 PolarHBondContact O-OE1 3.17Å
78	C	92.5	Very high	78.4	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-120.6	-28.6	-168.3	-54.9	0	0	0	0	114.8	C28 Y46 C74 E75 G80 Q81	C28-C78 HydrophobicContact CB-CB 3.68Å; C28-C78 WeakPolarHBondContact CB-SG 3.29Å; C28-C78 VanDerWaalsContact SG-CA 3.54Å; C28-C78 WeakPolarHBondContact SG-CB 3.26Å; C28-C78 CovalentContact SG-SG 2.03Å; C28-C78 PolarHBondContact SG-SG 3.5Å; Y46-C78 HydrophobicContact CD1-CB 3.66Å; Y46-C78 HydrophobicContact CD2-CB 3.4Å; Y46-C78 VanDerWaalsContact CD2-CB 3.4Å; Y46-C78 HydrophobicContact CE1-CB 4.07Å; Y46-C78 HydrophobicContact CE2-CB 3.87Å; Y46-C78 HydrophobicContact CG-CB 3.27Å; C74-C78 WeakPolarHBondContact O-CB 3.42Å; C74-C78 PolarHBondContact O-N 2.91Å; E75-C78 PolarHBondContact O-N 3.3Å; C78-G80 VanDerWaalsContact C-N 3.27Å; C78-G80 PolarHBondContact O-N 3.14Å; C78-G80 VanDerWaalsContact O-N 3.14Å; C78-Q81 PolarHBondContact O-N 3.37Å
79	G	86.8	Confident	76.2	Confident	48 Å²	48	73 Å²	73	50%	0.495	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-6.6	-168.9	0	0	0	0	0	116.7	E75	E75-G79 VanDerWaalsContact O-CA 3.27Å; E75-G79 WeakPolarHBondContact O-CA 3.32Å; E75-G79 PolarHBondContact O-N 3.43Å
80	G	77.3	Confident	73.9	Confident	72 Å²	72	69.9 Å²	69.9	74%	0.742	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	6.9	177	0	0	0	0	0	114.2	C78 I82	C78-G80 VanDerWaalsContact C-N 3.27Å; C78-G80 PolarHBondContact O-N 3.14Å; C78-G80 VanDerWaalsContact O-N 3.14Å; G80-I82 PolarHBondContact O-N 2.74Å
81	Q	64.7	Low	71.6	Confident	56 Å²	56	75.5 Å²	75.5	26%	0.262	38%	0.384	S	S	.	.			trans	-90.8	113.2	-170.9	-64.7	-173.5	-21.8	0	0	111.6	K77 C78 Y83	K77-Q81 PolarHBondContact O-NE2 3.47Å; K77-Q81 PolarHBondContact O-OE1 3.17Å; C78-Q81 PolarHBondContact O-N 3.37Å; Q81-Y83 HydrophobicContact CB-CE1 4.23Å; Q81-Y83 HydrophobicContact CB-CE2 4.39Å; Q81-Y83 PolarHBondContact O-N 3.31Å; Q81-Y83 PolarHBondContact OE1-OH 3.45Å
82	I	57	Low	69.1	Low	97 Å²	97	73.5 Å²	73.5	50%	0.497	38%	0.381	S	S	.	.			trans	-74.4	100.1	157.7	-54.3	-65.6	0	0	0	106.4	Y21 G80 M84	Y21-I82 WeakPolarHBondContact OH-CB 3.31Å; Y21-I82 PolarHBondContact OH-O 3.45Å; G80-I82 PolarHBondContact O-N 2.74Å; I82-M84 PolarHBondContact O-N 3.4Å
83	Y	57.5	Low	66.6	Low	34 Å²	34	71.2 Å²	71.2	13%	0.133	38%	0.379	C	S	.	.			trans	-58	134.9	167.8	-62.9	-71	0	0	0	108.9	N25 C28 L29 Y46 Q81 T85	N25-Y83 VanDerWaalsContact O-CE1 3.25Å; N25-Y83 WeakPolarHBondContact O-CE1 3.33Å; C28-Y83 HydrophobicContact CB-CE1 4.28Å; C28-Y83 WeakPolarHBondContact CB-OH 3.43Å; C28-Y83 PolarHBondContact SG-OH 2.72Å; L29-Y83 HydrophobicContact CD1-CD1 3.65Å; L29-Y83 HydrophobicContact CD1-CE1 4.24Å; L29-Y83 HydrophobicContact CD1-CG 3.93Å; L29-Y83 HydrophobicContact CD2-CD1 3.92Å; L29-Y83 HydrophobicContact CD2-CD2 3.49Å; L29-Y83 VanDerWaalsContact CD2-CD2 3.49Å; L29-Y83 HydrophobicContact CD2-CE1 4.15Å; L29-Y83 HydrophobicContact CD2-CE2 3.71Å; L29-Y83 HydrophobicContact CD2-CG 3.63Å; L29-Y83 HydrophobicContact CG-CD1 3.69Å; L29-Y83 HydrophobicContact CG-CD2 4.21Å; L29-Y83 HydrophobicContact CG-CE1 3.83Å; L29-Y83 HydrophobicContact CG-CE2 4.29Å; L29-Y83 HydrophobicContact CG-CG 3.94Å; Y46-Y83 HydrophobicContact CE1-CE2 4.37Å; Q81-Y83 HydrophobicContact CB-CE1 4.23Å; Q81-Y83 HydrophobicContact CB-CE2 4.39Å; Q81-Y83 PolarHBondContact O-N 3.31Å; Q81-Y83 PolarHBondContact OE1-OH 3.45Å; Y83-T85 PolarHBondContact O-N 3.18Å
84	M	50.3	Low	64.2	Low	108 Å²	108	75.2 Å²	75.2	53%	0.532	40%	0.402	S	S	.	.			trans	-67.1	84	171.1	-67.3	-171.9	82.1	0	0	109.4	Y21 I82 S88 F89	Y21-M84 HydrophobicContact CD1-CE 4.31Å; Y21-M84 HydrophobicContact CD1-CG 3.86Å; Y21-M84 HydrophobicContact CD1-SD 3.47Å; Y21-M84 WeakPolarHBondContact CD1-SD 3.42Å; Y21-M84 HydrophobicContact CE1-CE 4.46Å; Y21-M84 HydrophobicContact CE1-CG 3.21Å; Y21-M84 HydrophobicContact CE1-SD 3.54Å; Y21-M84 VanDerWaalsContact CE1-SD 3.54Å; Y21-M84 HydrophobicContact CG-SD 4.45Å; I82-M84 PolarHBondContact O-N 3.4Å; M84-S88 WeakPolarHBondContact CA-OG 3.41Å; M84-F89 HydrophobicContact CE-CD2 4.49Å
85	T	49.6	Very low	61.8	Low	82 Å²	82	80 Å²	80	50%	0.503	44%	0.436	S	S	.	.			trans	-88.6	161.2	159.7	61.6	0	0	0	0	107.3	Y83 K87 S88	Y83-T85 PolarHBondContact O-N 3.18Å; T85-K87 PolarHBondContact O-N 2.72Å; T85-S88 PolarHBondContact N-OG 2.03Å; T85-S88 PolarHBondContact O-N 2.82Å; T85-S88 PolarHBondContact O-OG 2.84Å
86	E	50.6	Low	59.1	Low	61 Å²	61	78.2 Å²	78.2	29%	0.285	43%	0.428	S	S	.	.	H	α-helix	trans	-46.2	-31.2	174.3	-64.7	-176.2	170.1	0	0	113.4	S88 R120 H121	E86-S88 PolarHBondContact O-N 3.45Å; E86-R120 WeakPolarHBondContact OE1-CD 3.3Å; E86-R120 IonicContact OE1-CZ 2.88Å; E86-R120 VanDerWaalsContact OE1-CZ 3.26Å; E86-R120 IonicContact OE1-NE 2.71Å; E86-R120 PolarHBondContact OE1-NE 3.36Å; E86-R120 IonicContact OE1-NH1 2.65Å; E86-R120 PolarHBondContact OE1-NH1 2.69Å; E86-H121 IonicContact OE1-CE1 3.32Å; E86-H121 IonicContact OE2-CE1 3.43Å; E86-H121 PolarHBondContact OE2-CE1 3.21Å; E86-H121 IonicContact OE2-ND1 3.78Å; E86-H121 PolarHBondContact OE2-ND1 2.79Å
87	K	47.9	Very low	56.7	Low	85 Å²	85	75.5 Å²	75.5	37%	0.37	43%	0.434	S	S	.	.	H	α-helix	trans	-65.5	-29.5	175.6	-77	178	173.4	170.6	0	114.9	T85 P125	T85-K87 PolarHBondContact O-N 2.72Å; K87-P125 HydrophobicContact CG-CG 4.49Å; K87-P125 PolarHBondContact NZ-O 3.36Å; K87-P125 VanDerWaalsContact NZ-O 3.14Å
88	S	52	Low	54.3	Low	11 Å²	11	74.2 Å²	74.2	8%	0.077	43%	0.43	C	S	.	.	H	α-helix	trans	-80.9	-30.4	-177.5	66.4	0	0	0	0	112.8	M84 T85 E86 A90 R91 S92	M84-S88 WeakPolarHBondContact CA-OG 3.41Å; T85-S88 PolarHBondContact N-OG 2.03Å; T85-S88 PolarHBondContact O-N 2.82Å; T85-S88 PolarHBondContact O-OG 2.84Å; E86-S88 PolarHBondContact O-N 3.45Å; S88-A90 VanDerWaalsContact C-N 3.29Å; S88-A90 PolarHBondContact O-N 2.92Å; S88-R91 PolarHBondContact O-N 2.97Å; S88-R91 VanDerWaalsContact O-N 3.15Å; S88-S92 PolarHBondContact O-N 3.42Å; S88-S92 VanDerWaalsContact O-N 3.17Å
89	F	51	Low	51.9	Low	119 Å²	119	81.5 Å²	81.5	52%	0.522	46%	0.464	S	S	.	.	H	α-helix	trans	-65.2	-36.2	175.3	-171.6	-100.6	0	0	0	111.1	M84 R91 S92	M84-F89 HydrophobicContact CE-CD2 4.49Å; F89-R91 VanDerWaalsContact C-N 3.33Å; F89-R91 PolarHBondContact O-N 3.01Å; F89-S92 PolarHBondContact O-N 3.49Å; F89-S92 PolarHBondContact O-OG 3.4Å
90	A	48.4	Very low	49.7	Very low	58 Å²	58	83.8 Å²	83.8	48%	0.479	46%	0.464	S	S	.	.	H	α-helix	trans	-60.9	-39.5	172.1	0	0	0	0	0	112.5	S88 C93	S88-A90 VanDerWaalsContact C-N 3.29Å; S88-A90 PolarHBondContact O-N 2.92Å; A90-C93 WeakPolarHBondContact O-CB 3.4Å; A90-C93 PolarHBondContact O-N 3.32Å
91	R	48.9	Very low	48.1	Very low	159 Å²	159	82.6 Å²	82.6	60%	0.6	44%	0.44	S	S	*	.	H	α-helix	trans	-73.6	-25.8	179.1	-77.1	-172.4	-170.1	135.2	-1.7	114.6	S88 F89 C93 D94 S95	S88-R91 PolarHBondContact O-N 2.97Å; S88-R91 VanDerWaalsContact O-N 3.15Å; F89-R91 VanDerWaalsContact C-N 3.33Å; F89-R91 PolarHBondContact O-N 3.01Å; R91-C93 PolarHBondContact O-N 3.39Å; R91-D94 PolarHBondContact O-N 2.82Å; R91-S95 PolarHBondContact O-N 2.86Å; R91-S95 PolarHBondContact O-OG 3.4Å
92	S	45.4	Very low	47	Very low	46 Å²	46	84.8 Å²	84.8	32%	0.322	46%	0.46	S	S	.	.	H	α-helix	trans	-63	-23.8	171.4	50.1	0	0	0	0	112.1	S88 F89	S88-S92 PolarHBondContact O-N 3.42Å; S88-S92 VanDerWaalsContact O-N 3.17Å; F89-S92 PolarHBondContact O-N 3.49Å; F89-S92 PolarHBondContact O-OG 3.4Å
93	C	45.9	Very low	46.3	Very low	82 Å²	82	87.7 Å²	87.7	55%	0.554	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-23	172.6	-59.5	0	0	0	0	113.4	A90 R91	A90-C93 WeakPolarHBondContact O-CB 3.4Å; A90-C93 PolarHBondContact O-N 3.32Å; R91-C93 PolarHBondContact O-N 3.39Å
94	D	45.4	Very low	45.5	Very low	132 Å²	132	91 Å²	91	71%	0.706	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-15.9	-178.7	-60.9	-31.5	0	0	0	113.2	R91	R91-D94 PolarHBondContact O-N 2.82Å
95	S	45.3	Very low	45	Very low	101 Å²	101	90.4 Å²	90.4	71%	0.706	49%	0.49	S	S	*	.	S	Bend	trans	-99.5	-0.8	-174.6	-52.7	0	0	0	0	114.2	R91	R91-S95 PolarHBondContact O-N 2.86Å; R91-S95 PolarHBondContact O-OG 3.4Å
96	L	38.5	Very low	44.6	Very low	46 Å²	46	90.7 Å²	90.7	24%	0.241	49%	0.488	C	S	.	.	S	Bend	trans	-95.1	123.1	175.4	-141.5	76.9	0	0	0	108.8	C14 S17 L98	C14-L96 HydrophobicContact CB-CD2 3.55Å; C14-L96 WeakPolarHBondContact SG-CD2 3.27Å; S17-L96 WeakPolarHBondContact OG-CD1 3.5Å; L96-L98 HydrophobicContact CD2-CD1 3.82Å; L96-L98 HydrophobicContact CG-CD1 4.17Å; L96-L98 PolarHBondContact O-N 2.9Å
97	P	43.7	Very low	44.2	Very low	122 Å²	122	94.8 Å²	94.8	79%	0.792	50%	0.504	S	S	*	.	S	Bend	trans	-77.3	43.5	-172.8	32.8	-35.8	0	0	0	112.6
98	L	41.3	Very low	43.9	Very low	39 Å²	39	95.3 Å²	95.3	20%	0.204	52%	0.519	C	S	.	.			trans	-129.7	67.8	-176.7	-69.9	152.1	0	0	0	110.2	L10 L96 I100 L101	L10-L98 HydrophobicContact CD1-CD1 3.28Å; L10-L98 HydrophobicContact CD1-CD2 3.33Å; L10-L98 HydrophobicContact CD1-CG 3.65Å; L10-L98 HydrophobicContact CD2-CB 4.08Å; L10-L98 HydrophobicContact CD2-CD1 3.41Å; L10-L98 VanDerWaalsContact CD2-CD1 3.41Å; L10-L98 HydrophobicContact CD2-CD2 3.15Å; L10-L98 HydrophobicContact CD2-CG 3.57Å; L10-L98 HydrophobicContact CG-CD1 3.1Å; L10-L98 HydrophobicContact CG-CD2 3.61Å; L10-L98 HydrophobicContact CG-CG 3.74Å; L96-L98 HydrophobicContact CD2-CD1 3.82Å; L96-L98 HydrophobicContact CG-CD1 4.17Å; L96-L98 PolarHBondContact O-N 2.9Å; L98-I100 PolarHBondContact O-N 2.82Å; L98-L101 PolarHBondContact O-N 3.34Å; L98-L101 VanDerWaalsContact O-N 3.13Å
99	E	41.4	Very low	43.2	Very low	154 Å²	154	103.4 Å²	103.4	72%	0.72	55%	0.553	S	S	*	*	H	α-helix	trans	-49.1	-23.6	168.8	-63.4	-178.7	159.3	0	0	112	L101 C102 H103	E99-L101 PolarHBondContact O-N 3.5Å; E99-C102 PolarHBondContact O-N 2.68Å; E99-H103 PolarHBondContact O-CD2 2.97Å; E99-H103 PolarHBondContact O-N 3.35Å
100	I	41.3	Very low	42.5	Very low	95 Å²	95	102.8 Å²	102.8	49%	0.487	56%	0.559	S	S	.	*	H	α-helix	trans	-72	-30.1	-178.2	-54.3	179.4	0	0	0	113.2	Y7 L98 L104	Y7-I100 HydrophobicContact CE1-CG2 3.87Å; Y7-I100 WeakPolarHBondContact OH-CG2 3.47Å; L98-I100 PolarHBondContact O-N 2.82Å; I100-L104 HydrophobicContact CG2-CD1 4.03Å; I100-L104 WeakPolarHBondContact O-CB 3.39Å; I100-L104 WeakPolarHBondContact O-CD1 3.18Å; I100-L104 VanDerWaalsContact O-CG 3.31Å; I100-L104 WeakPolarHBondContact O-CG 3.22Å; I100-L104 PolarHBondContact O-N 2.81Å
101	L	43.2	Very low	41.7	Very low	47 Å²	47	105.6 Å²	105.6	25%	0.246	57%	0.565	C	S	.	*	H	α-helix	trans	-81	-23	176.2	-85.6	153.4	0	0	0	112.8	L10 L98 E99 I106	L10-L101 HydrophobicContact CD2-CD1 3.68Å; L10-L101 HydrophobicContact CG-CD1 4.5Å; L98-L101 PolarHBondContact O-N 3.34Å; L98-L101 VanDerWaalsContact O-N 3.13Å; E99-L101 PolarHBondContact O-N 3.5Å; L101-I106 HydrophobicContact CB-CD1 4.4Å; L101-I106 HydrophobicContact CD2-CD1 3.65Å
102	C	41.7	Very low	41	Very low	102 Å²	102	104.2 Å²	104.2	69%	0.689	57%	0.568	S	S	*	*	H	α-helix	trans	-80.7	-32	177.6	-161.4	0	0	0	0	112.5	E99	E99-C102 PolarHBondContact O-N 2.68Å
103	H	43.1	Very low	40.5	Very low	158 Å²	158	110.1 Å²	110.1	73%	0.731	59%	0.588	S	S	*	*	H	α-helix	trans	-81.8	-25.1	174.9	-72.6	-64	0	0	0	113.6	E99 N105	E99-H103 PolarHBondContact O-CD2 2.97Å; E99-H103 PolarHBondContact O-N 3.35Å; H103-N105 PolarHBondContact O-N 2.74Å
104	L	40.3	Very low	40	Very low	104 Å²	104	112.4 Å²	112.4	55%	0.545	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.3	44.6	166.7	-68.9	171.8	0	0	0	111.5	Y7 I100 I106	Y7-L104 HydrophobicContact CE1-CD1 4.25Å; I100-L104 HydrophobicContact CG2-CD1 4.03Å; I100-L104 WeakPolarHBondContact O-CB 3.39Å; I100-L104 WeakPolarHBondContact O-CD1 3.18Å; I100-L104 VanDerWaalsContact O-CG 3.31Å; I100-L104 WeakPolarHBondContact O-CG 3.22Å; I100-L104 PolarHBondContact O-N 2.81Å; L104-I106 VanDerWaalsContact C-N 3.29Å; L104-I106 PolarHBondContact O-N 3Å
105	N	40.3	Very low	39.7	Very low	96 Å²	96	113.1 Å²	113.1	51%	0.513	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	35.1	55.1	153.2	-143.6	5.7	0	0	0	114.6	H103 K107 S108	H103-N105 PolarHBondContact O-N 2.74Å; N105-K107 PolarHBondContact O-N 2.85Å; N105-K107 WeakPolarHBondContact OD1-CB 3.47Å; N105-S108 PolarHBondContact O-N 3.2Å
106	I	41.1	Very low	39.8	Very low	88 Å²	88	115 Å²	115	45%	0.451	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.3	16.8	168	-64.3	170.3	0	0	0	110.6	L101 L104 F109 V110	L101-I106 HydrophobicContact CB-CD1 4.4Å; L101-I106 HydrophobicContact CD2-CD1 3.65Å; L104-I106 VanDerWaalsContact C-N 3.29Å; L104-I106 PolarHBondContact O-N 3Å; I106-F109 HydrophobicContact CG2-CB 4.38Å; I106-V110 HydrophobicContact CG2-CG2 4.32Å
107	K	42.6	Very low	39.9	Very low	146 Å²	146	119 Å²	119	64%	0.635	62%	0.616	S	S	*	*	H	α-helix	trans	-59.1	-33.6	149.6	-63.7	-170.8	178.6	-177.3	0	110.5	N105 F109 L111	N105-K107 PolarHBondContact O-N 2.85Å; N105-K107 WeakPolarHBondContact OD1-CB 3.47Å; K107-F109 PolarHBondContact O-N 3.39Å; K107-L111 HydrophobicContact CB-CD1 3.73Å; K107-L111 HydrophobicContact CB-CG 4.48Å; K107-L111 WeakPolarHBondContact O-CB 3.41Å; K107-L111 WeakPolarHBondContact O-CD1 3.37Å; K107-L111 WeakPolarHBondContact O-CG 3.24Å; K107-L111 PolarHBondContact O-N 3.11Å
108	S	41.6	Very low	39.8	Very low	96 Å²	96	117.4 Å²	117.4	67%	0.671	60%	0.604	S	S	*	*	H	α-helix	trans	-77.7	-22.4	-177.2	-89	0	0	0	0	116.2	N105	N105-S108 PolarHBondContact O-N 3.2Å
109	F	37	Very low	39.9	Very low	181 Å²	181	121.2 Å²	121.2	79%	0.794	62%	0.623	S	S	*	*	H	α-helix	trans	-94.6	-19.1	-172.8	-142.7	-96.6	0	0	0	114.5	I106 K107	I106-F109 HydrophobicContact CG2-CB 4.38Å; K107-F109 PolarHBondContact O-N 3.39Å
110	V	35.3	Very low	40.1	Very low	106 Å²	106	121.2 Å²	121.2	64%	0.642	62%	0.617	S	S	*	*	H	α-helix	trans	-115.8	-10.4	179.9	-167.4	0	0	0	0	112.8	I106 I112	I106-V110 HydrophobicContact CG2-CG2 4.32Å; V110-I112 PolarHBondContact O-N 3.12Å; V110-I112 VanDerWaalsContact O-N 3.07Å
111	L	32.1	Very low	40.4	Very low	117 Å²	117	119.3 Å²	119.3	61%	0.613	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	12.6	176	-68.9	179.5	0	0	0	115	K107	K107-L111 HydrophobicContact CB-CD1 3.73Å; K107-L111 HydrophobicContact CB-CG 4.48Å; K107-L111 WeakPolarHBondContact O-CB 3.41Å; K107-L111 WeakPolarHBondContact O-CD1 3.37Å; K107-L111 WeakPolarHBondContact O-CG 3.24Å; K107-L111 PolarHBondContact O-N 3.11Å
112	I	35.5	Very low	40.5	Very low	130 Å²	130	121.8 Å²	121.8	67%	0.667	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-6.9	173.6	-52.2	-172.6	0	0	0	112.4	V110	V110-I112 PolarHBondContact O-N 3.12Å; V110-I112 VanDerWaalsContact O-N 3.07Å
113	F	35.1	Very low	41	Very low	171 Å²	171	119.4 Å²	119.4	75%	0.75	61%	0.608	S	S	*	*	S	Bend	trans	-125.1	97.1	174.4	-67.8	-78.4	0	0	0	112.1
114	D	35	Very low	40.9	Very low	129 Å²	129	115.2 Å²	115.2	69%	0.69	59%	0.593	S	S	*	*			trans	78.3	110.1	153.8	-54.3	-33	0	0	0	119.5	L116 F117	D114-L116 PolarHBondContact O-N 2.96Å; D114-F117 PolarHBondContact O-N 3.21Å
115	D	39.1	Very low	41.1	Very low	148 Å²	148	112 Å²	112	79%	0.791	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.9	-1.9	172.3	-72.3	-45.9	0	0	0	116
116	L	47.6	Very low	41.5	Very low	141 Å²	141	111.6 Å²	111.6	74%	0.738	58%	0.579	S	S	*	*	H	α-helix	trans	-75.5	-24.5	178.2	-157.1	69.9	0	0	0	112.8	D114	D114-L116 PolarHBondContact O-N 2.96Å
117	F	40.9	Very low	41.8	Very low	130 Å²	130	111.9 Å²	111.9	57%	0.57	58%	0.58	S	S	*	*	H	α-helix	trans	-69.9	-44.5	-175.1	-159.6	-102	0	0	0	112.5	D114 I119 R120 H121	D114-F117 PolarHBondContact O-N 3.21Å; F117-I119 PolarHBondContact O-N 3.37Å; F117-R120 PolarHBondContact O-N 3.08Å; F117-H121 AromaticContact CD1-CD2 3.42Å; F117-H121 VanDerWaalsContact CD1-CD2 3.42Å; F117-H121 WeakPolarHBondContact CD1-CD2 3.38Å; F117-H121 AromaticContact CD1-NE2 3.53Å; F117-H121 AromaticContact CD2-NE2 3.53Å; F117-H121 AromaticContact CE1-CD2 3.37Å; F117-H121 WeakPolarHBondContact CE1-CD2 3.39Å; F117-H121 AromaticContact CE1-NE2 3.2Å; F117-H121 WeakPolarHBondContact CE1-NE2 3.05Å; F117-H121 AromaticContact CE2-NE2 3.2Å; F117-H121 WeakPolarHBondContact CE2-NE2 3.28Å; F117-H121 AromaticContact CG-CD2 3.83Å; F117-H121 AromaticContact CG-NE2 3.69Å; F117-H121 AromaticContact CZ-CD2 3.75Å; F117-H121 AromaticContact CZ-NE2 3.03Å; F117-H121 WeakPolarHBondContact CZ-NE2 3.05Å; F117-H121 PolarHBondContact O-CD2 3.27Å; F117-H121 PolarHBondContact O-N 2.91Å
118	T	41.6	Very low	41.7	Very low	87 Å²	87	110.4 Å²	110.4	53%	0.534	57%	0.572	S	S	.	*	H	α-helix	trans	-68.5	-32.4	-175.1	-53.4	0	0	0	0	113.2	T122	T118-T122 PolarHBondContact O-OG1 3.01Å
119	I	42.5	Very low	41.7	Very low	119 Å²	119	112.7 Å²	112.7	61%	0.61	57%	0.569	S	S	*	*	H	α-helix	trans	-73.4	-33.7	-178.9	-59.8	176.2	0	0	0	111.2	F117 S123	F117-I119 PolarHBondContact O-N 3.37Å; I119-S123 PolarHBondContact O-OG 2.95Å
120	R	45.1	Very low	41.9	Very low	154 Å²	154	109.6 Å²	109.6	58%	0.581	56%	0.561	S	S	*	*	H	α-helix	trans	-72.5	-38.4	-177.7	-160.8	169.1	-162.6	-140.7	12.6	112.9	E86 F117 V124	E86-R120 WeakPolarHBondContact OE1-CD 3.3Å; E86-R120 IonicContact OE1-CZ 2.88Å; E86-R120 VanDerWaalsContact OE1-CZ 3.26Å; E86-R120 IonicContact OE1-NE 2.71Å; E86-R120 PolarHBondContact OE1-NE 3.36Å; E86-R120 IonicContact OE1-NH1 2.65Å; E86-R120 PolarHBondContact OE1-NH1 2.69Å; F117-R120 PolarHBondContact O-N 3.08Å; R120-V124 HydrophobicContact CG-CG2 4.34Å; R120-V124 WeakPolarHBondContact O-CB 3.42Å; R120-V124 VanDerWaalsContact O-CG2 3.25Å; R120-V124 WeakPolarHBondContact O-CG2 3.49Å
121	H	48.1	Very low	42.2	Very low	55 Å²	55	109.4 Å²	109.4	26%	0.255	56%	0.556	S	S	.	*	H	α-helix	trans	-82.4	-14.6	-170.7	-67.8	-50.7	0	0	0	116.1	E86 F117 P125	E86-H121 IonicContact OE1-CE1 3.32Å; E86-H121 IonicContact OE2-CE1 3.43Å; E86-H121 PolarHBondContact OE2-CE1 3.21Å; E86-H121 IonicContact OE2-ND1 3.78Å; E86-H121 PolarHBondContact OE2-ND1 2.79Å; F117-H121 AromaticContact CD1-CD2 3.42Å; F117-H121 VanDerWaalsContact CD1-CD2 3.42Å; F117-H121 WeakPolarHBondContact CD1-CD2 3.38Å; F117-H121 AromaticContact CD1-NE2 3.53Å; F117-H121 AromaticContact CD2-NE2 3.53Å; F117-H121 AromaticContact CE1-CD2 3.37Å; F117-H121 WeakPolarHBondContact CE1-CD2 3.39Å; F117-H121 AromaticContact CE1-NE2 3.2Å; F117-H121 WeakPolarHBondContact CE1-NE2 3.05Å; F117-H121 AromaticContact CE2-NE2 3.2Å; F117-H121 WeakPolarHBondContact CE2-NE2 3.28Å; F117-H121 AromaticContact CG-CD2 3.83Å; F117-H121 AromaticContact CG-NE2 3.69Å; F117-H121 AromaticContact CZ-CD2 3.75Å; F117-H121 AromaticContact CZ-NE2 3.03Å; F117-H121 WeakPolarHBondContact CZ-NE2 3.05Å; F117-H121 PolarHBondContact O-CD2 3.27Å; F117-H121 PolarHBondContact O-N 2.91Å; H121-P125 WeakPolarHBondContact O-CD 3.45Å; H121-P125 VanDerWaalsContact O-CG 3.24Å; H121-P125 WeakPolarHBondContact O-CG 2.84Å
122	T	45.9	Very low	42.7	Very low	99 Å²	99	107.7 Å²	107.7	61%	0.607	54%	0.543	S	S	*	.	H	α-helix	trans	-96.1	-40.1	179.5	52.9	0	0	0	0	112.7	T118	T118-T122 PolarHBondContact O-OG1 3.01Å
123	S	50.6	Low	43.1	Very low	53 Å²	53	107.4 Å²	107.4	37%	0.371	54%	0.543	S	S	.	.	H	α-helix	trans	-83	-41.4	-173.8	57.1	0	0	0	0	113.4	I119 I127	I119-S123 PolarHBondContact O-OG 2.95Å; S123-I127 WeakPolarHBondContact O-CD1 3.25Å; S123-I127 VanDerWaalsContact O-CG1 3.32Å; S123-I127 WeakPolarHBondContact O-CG1 3.42Å; S123-I127 PolarHBondContact O-N 3.01Å
124	V	42.7	Very low	43.2	Very low	70 Å²	70	102.1 Å²	102.1	42%	0.424	53%	0.525	S	S	.	.	H	α-helix	trans	-69.7	-40.7	-172.7	-177.7	0	0	0	0	113.7	R120 V126 I127 Y128	R120-V124 HydrophobicContact CG-CG2 4.34Å; R120-V124 WeakPolarHBondContact O-CB 3.42Å; R120-V124 VanDerWaalsContact O-CG2 3.25Å; R120-V124 WeakPolarHBondContact O-CG2 3.49Å; V124-V126 VanDerWaalsContact C-N 3.31Å; V124-V126 PolarHBondContact O-N 3.33Å; V124-I127 PolarHBondContact O-N 3.32Å; V124-Y128 PolarHBondContact O-N 3.4Å
125	P	42.7	Very low	43.7	Very low	35 Å²	35	105 Å²	105	23%	0.227	53%	0.534	C	S	.	.	H	α-helix	trans	-58.1	-37.9	176.6	-35.7	44.1	0	0	0	115.6	K87 H121 K129	K87-P125 HydrophobicContact CG-CG 4.49Å; K87-P125 PolarHBondContact NZ-O 3.36Å; K87-P125 VanDerWaalsContact NZ-O 3.14Å; H121-P125 WeakPolarHBondContact O-CD 3.45Å; H121-P125 VanDerWaalsContact O-CG 3.24Å; H121-P125 WeakPolarHBondContact O-CG 2.84Å; P125-K129 PolarHBondContact O-N 3.31Å
126	V	49.6	Very low	43.8	Very low	89 Å²	89	101.8 Å²	101.8	54%	0.539	52%	0.52	S	S	.	.	H	α-helix	trans	-71.3	-46.9	-179.6	177.3	0	0	0	0	109.3	V124 Y128 K129 L130	V124-V126 VanDerWaalsContact C-N 3.31Å; V124-V126 PolarHBondContact O-N 3.33Å; V126-Y128 VanDerWaalsContact C-N 3.33Å; V126-Y128 PolarHBondContact O-N 3.35Å; V126-K129 PolarHBondContact O-N 3.13Å; V126-L130 HydrophobicContact CG1-CD1 4.13Å; V126-L130 WeakPolarHBondContact O-CG 3.25Å; V126-L130 PolarHBondContact O-N 3Å; V126-L130 VanDerWaalsContact O-N 3.1Å
127	I	46.6	Very low	43.4	Very low	93 Å²	93	100 Å²	100	48%	0.477	52%	0.515	S	S	.	.	H	α-helix	trans	-57	-46.7	176.2	-65.2	165.7	0	0	0	110.5	S123 V124 K129 L130 L131	S123-I127 WeakPolarHBondContact O-CD1 3.25Å; S123-I127 VanDerWaalsContact O-CG1 3.32Å; S123-I127 WeakPolarHBondContact O-CG1 3.42Å; S123-I127 PolarHBondContact O-N 3.01Å; V124-I127 PolarHBondContact O-N 3.32Å; I127-K129 VanDerWaalsContact C-N 3.32Å; I127-K129 PolarHBondContact O-N 3.42Å; I127-L130 PolarHBondContact O-N 2.99Å; I127-L131 HydrophobicContact CG2-CD1 3.84Å; I127-L131 HydrophobicContact CG2-CG 4.22Å; I127-L131 VanDerWaalsContact O-CG 3.31Å; I127-L131 WeakPolarHBondContact O-CG 3.44Å; I127-L131 PolarHBondContact O-N 2.66Å
128	Y	40.8	Very low	43.5	Very low	116 Å²	116	103.3 Å²	103.3	46%	0.455	53%	0.529	S	S	.	.	H	α-helix	trans	-63	-34.3	-179.3	-171.4	-99.3	0	0	0	113.8	V124 V126 K132	V124-Y128 PolarHBondContact O-N 3.4Å; V126-Y128 VanDerWaalsContact C-N 3.33Å; V126-Y128 PolarHBondContact O-N 3.35Å; Y128-K132 HydrophobicContact CD1-CD 4.06Å; Y128-K132 HydrophobicContact CE1-CD 3.48Å; Y128-K132 VanDerWaalsContact CE1-CD 3.48Å; Y128-K132 HydrophobicContact CE1-CG 4.29Å; Y128-K132 PolarHBondContact O-N 3.39Å; Y128-K132 WeakPolarHBondContact OH-CE 3.42Å; Y128-K132 PolarHBondContact OH-NZ 3.1Å
129	K	41.5	Very low	43.7	Very low	143 Å²	143	103.8 Å²	103.8	62%	0.622	53%	0.526	S	S	*	.	H	α-helix	trans	-72.8	-36.2	177	-168.3	174.7	-178.7	-178.2	0	111.6	P125 V126 I127 K132 N133	P125-K129 PolarHBondContact O-N 3.31Å; V126-K129 PolarHBondContact O-N 3.13Å; I127-K129 VanDerWaalsContact C-N 3.32Å; I127-K129 PolarHBondContact O-N 3.42Å; K129-K132 PolarHBondContact O-N 3.35Å; K129-N133 PolarHBondContact O-N 3.11Å
130	L	41	Very low	43.9	Very low	117 Å²	117	103.2 Å²	103.2	61%	0.613	52%	0.521	S	S	*	.	H	α-helix	trans	-69.1	-36.5	174.5	-66.2	173.4	0	0	0	112	V126 I127 K132	V126-L130 HydrophobicContact CG1-CD1 4.13Å; V126-L130 WeakPolarHBondContact O-CG 3.25Å; V126-L130 PolarHBondContact O-N 3Å; V126-L130 VanDerWaalsContact O-N 3.1Å; I127-L130 PolarHBondContact O-N 2.99Å; L130-K132 VanDerWaalsContact C-N 3.3Å; L130-K132 PolarHBondContact O-N 3.47Å
131	L	41.7	Very low	44.1	Very low	102 Å²	102	100.7 Å²	100.7	53%	0.534	52%	0.516	S	S	.	.	H	α-helix	trans	-68.7	-25.9	175.1	-68.9	175.1	0	0	0	113.3	I127 T134	I127-L131 HydrophobicContact CG2-CD1 3.84Å; I127-L131 HydrophobicContact CG2-CG 4.22Å; I127-L131 VanDerWaalsContact O-CG 3.31Å; I127-L131 WeakPolarHBondContact O-CG 3.44Å; I127-L131 PolarHBondContact O-N 2.66Å; L131-T134 PolarHBondContact O-OG1 2.94Å; L131-T134 VanDerWaalsContact O-OG1 3.05Å
132	K	44.3	Very low	43.8	Very low	81 Å²	81	101.9 Å²	101.9	35%	0.352	53%	0.527	S	S	.	.	H	α-helix	trans	-88.4	-20.5	-179.5	-82.8	-168.6	159	-175	0	115.1	Y128 K129 L130 T134	Y128-K132 HydrophobicContact CD1-CD 4.06Å; Y128-K132 HydrophobicContact CE1-CD 3.48Å; Y128-K132 VanDerWaalsContact CE1-CD 3.48Å; Y128-K132 HydrophobicContact CE1-CG 4.29Å; Y128-K132 PolarHBondContact O-N 3.39Å; Y128-K132 WeakPolarHBondContact OH-CE 3.42Å; Y128-K132 PolarHBondContact OH-NZ 3.1Å; K129-K132 PolarHBondContact O-N 3.35Å; L130-K132 VanDerWaalsContact C-N 3.3Å; L130-K132 PolarHBondContact O-N 3.47Å; K132-T134 PolarHBondContact O-N 3.29Å
133	N	43	Very low	43.6	Very low	123 Å²	123	100 Å²	100	66%	0.658	52%	0.516	S	S	*	.	S	Bend	trans	-83.5	0.3	179.1	-79.1	12.1	0	0	0	113.2	K129 E135	K129-N133 PolarHBondContact O-N 3.11Å; N133-E135 PolarHBondContact O-N 3.49Å
134	T	37.6	Very low	43.3	Very low	60 Å²	60	101.1 Å²	101.1	37%	0.368	52%	0.524	S	S	.	.	S	Bend	trans	-76	114.9	166.2	52.5	0	0	0	0	107.7	L131 K132 T136	L131-T134 PolarHBondContact O-OG1 2.94Å; L131-T134 VanDerWaalsContact O-OG1 3.05Å; K132-T134 PolarHBondContact O-N 3.29Å; T134-T136 PolarHBondContact O-N 3.37Å; T134-T136 PolarHBondContact O-OG1 2.91Å
135	E	45.5	Very low	43.6	Very low	189 Å²	189	101.3 Å²	101.3	88%	0.883	53%	0.525	S	S	*	.			trans	-56.3	85	167.2	-68.5	175.2	161.5	0	0	108.5	N133 T137	N133-E135 PolarHBondContact O-N 3.49Å; E135-T137 PolarHBondContact O-N 2.88Å
136	T	40.8	Very low	43.9	Very low	81 Å²	81	102.8 Å²	102.8	50%	0.497	54%	0.536	S	S	.	.			trans	-77.6	86.2	174	16.4	0	0	0	0	105.9	T134 K138	T134-T136 PolarHBondContact O-N 3.37Å; T134-T136 PolarHBondContact O-OG1 2.91Å; T136-K138 PolarHBondContact O-N 3.28Å
137	T	38.2	Very low	43.9	Very low	105 Å²	105	102.2 Å²	102.2	64%	0.644	53%	0.529	S	S	*	.			trans	-26	130.8	163.8	-41.5	0	0	0	0	110.5	E135 Q139	E135-T137 PolarHBondContact O-N 2.88Å; T137-Q139 VanDerWaalsContact C-N 3.27Å; T137-Q139 WeakPolarHBondContact O-CG 3.19Å; T137-Q139 PolarHBondContact O-N 3.36Å
138	K	43.6	Very low	43.8	Very low	199 Å²	199	104.8 Å²	104.8	87%	0.865	54%	0.544	S	S	*	.			trans	-49.9	90.3	168.3	-65.7	174.5	177.9	178	0	109.4	T136	T136-K138 PolarHBondContact O-N 3.28Å
139	Q	46.6	Very low	44.1	Very low	97 Å²	97	105.7 Å²	105.7	45%	0.453	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-97.4	116.6	175.5	-72.8	-171.5	-19.6	0	0	108	T137	T137-Q139 VanDerWaalsContact C-N 3.27Å; T137-Q139 WeakPolarHBondContact O-CG 3.19Å; T137-Q139 PolarHBondContact O-N 3.36Å
140	M	45.4	Very low	45.1	Very low	106 Å²	106	104.6 Å²	104.6	52%	0.522	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.8	131.7	175	-62.4	172.9	176	0	0	107.9	Q160 K161	M140-Q160 HydrophobicContact CB-CB 4.21Å; M140-Q160 HydrophobicContact SD-CB 3.9Å; M140-Q160 HydrophobicContact SD-CG 4.37Å; M140-K161 CarbonylContact C-O 3.55Å; M140-K161 WeakPolarHBondContact CA-O 3.4Å
141	E	49.7	Very low	46.1	Very low	102 Å²	102	105.1 Å²	105.1	48%	0.477	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.7	125.7	163.2	-146.1	162.3	171.6	0	0	108	Q160 K161 L163	E141-Q160 CarbonylContact O-C 3.28Å; E141-Q160 WeakPolarHBondContact O-CA 3.29Å; E141-K161 PolarHBondContact N-O 3.19Å; E141-K161 PolarHBondContact O-N 2.83Å; E141-L163 HydrophobicContact CB-CD1 3.7Å; E141-L163 HydrophobicContact CG-CD1 4.18Å
142	T	41.1	Very low	46.9	Very low	79 Å²	79	108.2 Å²	108.2	49%	0.485	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.7	105.7	169.6	-56.6	0	0	0	0	107	T158	T142-T158 HydrophobicContact CG2-CG2 3.85Å
143	T	43.4	Very low	47.2	Very low	61 Å²	61	108.2 Å²	108.2	37%	0.374	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.8	115.7	173.1	-52.8	0	0	0	0	108.7	T159	T143-T159 PolarHBondContact N-O 2.89Å; T143-T159 PolarHBondContact O-N 2.92Å; T143-T159 PolarHBondContact O-OG1 3.27Å
144	S	43.7	Very low	47.8	Very low	75 Å²	75	109 Å²	109	52%	0.524	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82	119.4	171.2	-61.8	0	0	0	0	109	T158	S144-T158 WeakPolarHBondContact OG-CG2 3.5Å
145	T	48.7	Very low	48.6	Very low	75 Å²	75	108.5 Å²	108.5	46%	0.46	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.4	119	170.5	-36	0	0	0	0	108.1	I157	T145-I157 PolarHBondContact N-O 3.46Å; T145-I157 PolarHBondContact O-N 3.45Å
146	S	49.7	Very low	48.8	Very low	66 Å²	66	103 Å²	103	46%	0.462	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.4	129	169.7	38.4	0	0	0	0	109.2
147	I	48.5	Very low	49.5	Very low	76 Å²	76	102.6 Å²	102.6	39%	0.39	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.1	118.1	169.6	-59.4	177.9	0	0	0	107.3	R149 T155 I157	I147-R149 PolarHBondContact O-N 3.3Å; I147-R149 VanDerWaalsContact O-N 3.12Å; I147-T155 PolarHBondContact N-O 3.19Å; I147-T155 VanDerWaalsContact N-O 3.11Å; I147-I157 HydrophobicContact CD1-CD1 3.61Å; I147-I157 HydrophobicContact CD1-CG1 4.41Å
148	D	45.2	Very low	49.7	Very low	148 Å²	148	101.5 Å²	101.5	79%	0.791	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	101.8	166.8	-69.9	-32.6	0	0	0	108.4
149	R	47.1	Very low	49.9	Very low	134 Å²	134	95.5 Å²	95.5	51%	0.506	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	149.3	163.2	-80.1	-167.9	-177.2	96.6	0.3	109.3	I147 D151 N152 T155	I147-R149 PolarHBondContact O-N 3.3Å; I147-R149 VanDerWaalsContact O-N 3.12Å; R149-D151 PolarHBondContact O-N 3.14Å; R149-N152 PolarHBondContact O-N 3.26Å; R149-T155 PolarHBondContact NH1-OG1 3.46Å; R149-T155 VanDerWaalsContact NH1-OG1 3.09Å
150	S	61.7	Low	50.1	Low	120 Å²	120	97.4 Å²	97.4	84%	0.839	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-9	179.6	-167.9	0	0	0	0	115.5
151	D	62.2	Low	50.9	Low	128 Å²	128	94.9 Å²	94.9	68%	0.684	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	48.3	-179.9	-56.4	-35.7	0	0	0	111.2	R149 T153	R149-D151 PolarHBondContact O-N 3.14Å; D151-T153 WeakPolarHBondContact O-CB 3Å; D151-T153 WeakPolarHBondContact O-CG2 3.43Å; D151-T153 PolarHBondContact O-N 3.22Å; D151-T153 PolarHBondContact O-OG1 3.12Å
152	N	58	Low	51.4	Low	168 Å²	168	92.2 Å²	92.2	90%	0.898	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	38.7	31.7	170.6	-72.8	-10.7	0	0	0	117.1	R149	R149-N152 PolarHBondContact O-N 3.26Å
153	T	52	Low	52.7	Low	81 Å²	81	89 Å²	89	50%	0.497	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	109.5	-178.1	37.9	0	0	0	0	108.2	D151 T155	D151-T153 WeakPolarHBondContact O-CB 3Å; D151-T153 WeakPolarHBondContact O-CG2 3.43Å; D151-T153 PolarHBondContact O-N 3.22Å; D151-T153 PolarHBondContact O-OG1 3.12Å; T153-T155 PolarHBondContact O-N 3.22Å; T153-T155 VanDerWaalsContact O-N 3.08Å
154	E	56.1	Low	53.9	Low	140 Å²	140	87.6 Å²	87.6	65%	0.654	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	105.3	175	-168.1	169.9	-164.9	0	0	108.5
155	T	53.4	Low	55.3	Low	48 Å²	48	85.1 Å²	85.1	29%	0.294	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	106.7	170.7	-50.8	0	0	0	0	108.4	I147 R149 T153 I157	I147-T155 PolarHBondContact N-O 3.19Å; I147-T155 VanDerWaalsContact N-O 3.11Å; R149-T155 PolarHBondContact NH1-OG1 3.46Å; R149-T155 VanDerWaalsContact NH1-OG1 3.09Å; T153-T155 PolarHBondContact O-N 3.22Å; T153-T155 VanDerWaalsContact O-N 3.08Å; T155-I157 HydrophobicContact CG2-CG1 4.35Å; T155-I157 PolarHBondContact O-N 3.27Å
156	T	50.3	Low	56.5	Low	75 Å²	75	83 Å²	83	46%	0.46	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	106.4	170.6	-53.8	0	0	0	0	109.2	T158	T156-T158 HydrophobicContact CG2-CG2 4.48Å
157	I	56	Low	57.7	Low	71 Å²	71	81.2 Å²	81.2	36%	0.364	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	113.6	168	-56.6	-176.9	0	0	0	107.6	T145 I147 T155 T159	T145-I157 PolarHBondContact N-O 3.46Å; T145-I157 PolarHBondContact O-N 3.45Å; I147-I157 HydrophobicContact CD1-CD1 3.61Å; I147-I157 HydrophobicContact CD1-CG1 4.41Å; T155-I157 HydrophobicContact CG2-CG1 4.35Å; T155-I157 PolarHBondContact O-N 3.27Å; I157-T159 HydrophobicContact CG2-CG2 4.12Å
158	T	42.3	Very low	59.2	Low	83 Å²	83	79.8 Å²	79.8	51%	0.509	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	114.6	168.4	40.7	0	0	0	0	109.4	T142 S144 T156	T142-T158 HydrophobicContact CG2-CG2 3.85Å; S144-T158 WeakPolarHBondContact OG-CG2 3.5Å; T156-T158 HydrophobicContact CG2-CG2 4.48Å
159	T	46.1	Very low	60.9	Low	73 Å²	73	77.3 Å²	77.3	45%	0.448	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.7	168.5	54.4	0	0	0	0	109.8	T143 I157	T143-T159 PolarHBondContact N-O 2.89Å; T143-T159 PolarHBondContact O-N 2.92Å; T143-T159 PolarHBondContact O-OG1 3.27Å; I157-T159 HydrophobicContact CG2-CG2 4.12Å
160	Q	51.9	Low	62.7	Low	136 Å²	136	74.9 Å²	74.9	64%	0.636	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	110.5	172	-68.6	-179.2	-33.9	0	0	109	M140 E141	M140-Q160 HydrophobicContact CB-CB 4.21Å; M140-Q160 HydrophobicContact SD-CB 3.9Å; M140-Q160 HydrophobicContact SD-CG 4.37Å; E141-Q160 CarbonylContact O-C 3.28Å; E141-Q160 WeakPolarHBondContact O-CA 3.29Å
161	K	60.9	Low	63.7	Low	54 Å²	54	72.1 Å²	72.1	24%	0.235	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.9	179.4	-178.2	179.2	168.3	-173.7	0	109.7	Y32 E34 M140 E141 L163	Y32-K161 WeakPolarHBondContact OH-CE 3.46Å; E34-K161 WeakPolarHBondContact OE1-CE 3.44Å; E34-K161 IonicContact OE1-NZ 2.9Å; E34-K161 PolarHBondContact OE1-NZ 3.22Å; E34-K161 IonicContact OE2-NZ 2.97Å; E34-K161 PolarHBondContact OE2-NZ 2.99Å; M140-K161 CarbonylContact C-O 3.55Å; M140-K161 WeakPolarHBondContact CA-O 3.4Å; E141-K161 PolarHBondContact N-O 3.19Å; E141-K161 PolarHBondContact O-N 2.83Å; K161-L163 PolarHBondContact O-N 2.86Å
162	P	62	Low	64.8	Low	45 Å²	45	66.8 Å²	66.8	29%	0.292	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	138.5	172	26.1	-32.2	0	0	0	110.1	Y32	Y32-P162 PolarHBondContact OH-O 3.29Å
163	L	68.3	Low	66.3	Low	11 Å²	11	63.6 Å²	63.6	6%	0.058	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-62.5	150.1	175.9	-119.6	71.9	0	0	0	112	E141 K161 A167 K168 L171	E141-L163 HydrophobicContact CB-CD1 3.7Å; E141-L163 HydrophobicContact CG-CD1 4.18Å; K161-L163 PolarHBondContact O-N 2.86Å; L163-A167 HydrophobicContact CB-CB 4.14Å; L163-A167 HydrophobicContact CD2-CB 3.42Å; L163-A167 VanDerWaalsContact CD2-CB 3.42Å; L163-A167 HydrophobicContact CG-CB 3.46Å; L163-A167 VanDerWaalsContact CG-CB 3.46Å; L163-K168 HydrophobicContact CB-CG 3.92Å; L163-K168 VanDerWaalsContact O-CE 3.23Å; L163-K168 WeakPolarHBondContact O-CE 3.16Å; L163-L171 HydrophobicContact CD2-CD1 3.21Å; L163-L171 HydrophobicContact CD2-CG 3.84Å
164	S	69	Low	68.1	Low	32 Å²	32	63.6 Å²	63.6	22%	0.224	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-62.4	159.2	168.8	68.6	0	0	0	0	111.4	Y32 G166 A167 K168	Y32-S164 PolarHBondContact OH-N 2.95Å; Y32-S164 VanDerWaalsContact OH-N 3.12Å; S164-G166 VanDerWaalsContact C-N 3.27Å; S164-G166 PolarHBondContact O-N 3.07Å; S164-A167 PolarHBondContact O-N 2.8Å; S164-A167 VanDerWaalsContact O-N 3.11Å; S164-A167 VanDerWaalsContact OG-CB 3.26Å; S164-A167 WeakPolarHBondContact OG-CB 3.43Å; S164-A167 PolarHBondContact OG-N 2.8Å; S164-A167 VanDerWaalsContact OG-N 3.08Å; S164-K168 WeakPolarHBondContact O-CG 3.25Å; S164-K168 PolarHBondContact O-N 3.47Å
165	V	73	Confident	69.7	Low	24 Å²	24	60.5 Å²	60.5	15%	0.145	34%	0.344	C	S	.	.	H	α-helix	trans	-60.1	-43.8	177.3	179.1	0	0	0	0	109.7	D31 V49 A167 K168 I169	D31-V165 WeakPolarHBondContact OD1-CB 3.46Å; D31-V165 WeakPolarHBondContact OD1-CG2 3.38Å; D31-V165 PolarHBondContact OD1-N 2.03Å; V49-V165 HydrophobicContact CG2-CG1 3.61Å; V49-V165 HydrophobicContact CG2-CG2 4.18Å; V165-A167 VanDerWaalsContact C-N 3.31Å; V165-A167 PolarHBondContact O-N 3.5Å; V165-K168 PolarHBondContact O-N 3.07Å; V165-I169 HydrophobicContact CG1-CD1 3.84Å; V165-I169 HydrophobicContact CG1-CG1 4.36Å; V165-I169 VanDerWaalsContact O-CG1 3.29Å; V165-I169 WeakPolarHBondContact O-CG1 3.42Å; V165-I169 PolarHBondContact O-N 3.35Å
166	G	72.8	Confident	71.6	Confident	30 Å²	30	61.7 Å²	61.7	31%	0.309	35%	0.348	S	S	.	.	H	α-helix	trans	-54.3	-45.7	173.5	0	0	0	0	0	112.7	S164 I169 V170	S164-G166 VanDerWaalsContact C-N 3.27Å; S164-G166 PolarHBondContact O-N 3.07Å; G166-I169 PolarHBondContact O-N 2.9Å; G166-V170 WeakPolarHBondContact O-CG2 3.44Å; G166-V170 PolarHBondContact O-N 2.99Å
167	A	75.4	Confident	73.6	Confident	28 Å²	28	65 Å²	65	23%	0.231	36%	0.356	C	S	.	.	H	α-helix	trans	-68.1	-40.2	178.1	0	0	0	0	0	112.3	L163 S164 V165 I169 V170 L171	L163-A167 HydrophobicContact CB-CB 4.14Å; L163-A167 HydrophobicContact CD2-CB 3.42Å; L163-A167 VanDerWaalsContact CD2-CB 3.42Å; L163-A167 HydrophobicContact CG-CB 3.46Å; L163-A167 VanDerWaalsContact CG-CB 3.46Å; S164-A167 PolarHBondContact O-N 2.8Å; S164-A167 VanDerWaalsContact O-N 3.11Å; S164-A167 VanDerWaalsContact OG-CB 3.26Å; S164-A167 WeakPolarHBondContact OG-CB 3.43Å; S164-A167 PolarHBondContact OG-N 2.8Å; S164-A167 VanDerWaalsContact OG-N 3.08Å; V165-A167 VanDerWaalsContact C-N 3.31Å; V165-A167 PolarHBondContact O-N 3.5Å; A167-I169 VanDerWaalsContact C-N 3.28Å; A167-I169 PolarHBondContact O-N 2.94Å; A167-V170 PolarHBondContact O-N 2.88Å; A167-L171 WeakPolarHBondContact O-CG 3.47Å; A167-L171 PolarHBondContact O-N 2.83Å
168	K	79.6	Confident	75.4	Confident	47 Å²	47	66 Å²	66	20%	0.204	36%	0.362	C	S	.	.	H	α-helix	trans	-58.4	-42.5	174.3	-68.7	174.4	-173	168	0	110.6	D47 L163 S164 V165 L171 G172	D47-K168 IonicContact OD2-NZ 3.35Å; D47-K168 PolarHBondContact OD2-NZ 3.13Å; L163-K168 HydrophobicContact CB-CG 3.92Å; L163-K168 VanDerWaalsContact O-CE 3.23Å; L163-K168 WeakPolarHBondContact O-CE 3.16Å; S164-K168 WeakPolarHBondContact O-CG 3.25Å; S164-K168 PolarHBondContact O-N 3.47Å; V165-K168 PolarHBondContact O-N 3.07Å; K168-L171 PolarHBondContact O-N 3.08Å; K168-G172 PolarHBondContact O-N 2.81Å
169	I	81.7	Confident	77.8	Confident	96 Å²	96	68.1 Å²	68.1	49%	0.492	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-47	176.6	-69.2	167.5	0	0	0	110.6	V165 G166 A167 L171 G172 I173	V165-I169 HydrophobicContact CG1-CD1 3.84Å; V165-I169 HydrophobicContact CG1-CG1 4.36Å; V165-I169 VanDerWaalsContact O-CG1 3.29Å; V165-I169 WeakPolarHBondContact O-CG1 3.42Å; V165-I169 PolarHBondContact O-N 3.35Å; G166-I169 PolarHBondContact O-N 2.9Å; A167-I169 VanDerWaalsContact C-N 3.28Å; A167-I169 PolarHBondContact O-N 2.94Å; I169-L171 PolarHBondContact O-N 2.94Å; I169-G172 PolarHBondContact O-N 2.95Å; I169-I173 HydrophobicContact CG2-CD1 3.87Å; I169-I173 HydrophobicContact CG2-CG1 4.47Å; I169-I173 WeakPolarHBondContact O-CG1 3.48Å; I169-I173 PolarHBondContact O-N 2.75Å
170	V	83.3	Confident	80.1	Confident	82 Å²	82	68 Å²	68	50%	0.497	36%	0.363	S	S	.	.	H	α-helix	trans	-60.5	-45.2	178.6	170.4	0	0	0	0	111	G166 A167 G172 I173 L174	G166-V170 WeakPolarHBondContact O-CG2 3.44Å; G166-V170 PolarHBondContact O-N 2.99Å; A167-V170 PolarHBondContact O-N 2.88Å; V170-G172 VanDerWaalsContact C-N 3.34Å; V170-G172 PolarHBondContact O-N 3.34Å; V170-I173 PolarHBondContact O-N 2.65Å; V170-L174 HydrophobicContact CG1-CD1 4.12Å; V170-L174 WeakPolarHBondContact O-CG 3.4Å; V170-L174 PolarHBondContact O-N 3.42Å
171	L	83.2	Confident	82.1	Confident	63 Å²	63	64 Å²	64	33%	0.33	35%	0.351	S	S	.	.	H	α-helix	trans	-64.9	-38.1	176.4	-67.2	-169.9	0	0	0	112.1	L163 A167 K168 I169 I173 L174 D175	L163-L171 HydrophobicContact CD2-CD1 3.21Å; L163-L171 HydrophobicContact CD2-CG 3.84Å; A167-L171 WeakPolarHBondContact O-CG 3.47Å; A167-L171 PolarHBondContact O-N 2.83Å; K168-L171 PolarHBondContact O-N 3.08Å; I169-L171 PolarHBondContact O-N 2.94Å; L171-I173 PolarHBondContact O-N 3.09Å; L171-L174 HydrophobicContact CD2-CD1 4.2Å; L171-L174 PolarHBondContact O-N 3.08Å; L171-D175 WeakPolarHBondContact O-CB 3.44Å; L171-D175 PolarHBondContact O-N 3.4Å
172	G	86.1	Confident	83.5	Confident	16 Å²	16	65.6 Å²	65.6	17%	0.165	36%	0.362	C	S	.	.	H	α-helix	trans	-60.2	-42.9	172.1	0	0	0	0	0	112.8	K168 I169 V170 D175 I176	K168-G172 PolarHBondContact O-N 2.81Å; I169-G172 PolarHBondContact O-N 2.95Å; V170-G172 VanDerWaalsContact C-N 3.34Å; V170-G172 PolarHBondContact O-N 3.34Å; G172-D175 PolarHBondContact O-N 3.39Å; G172-I176 VanDerWaalsContact O-CG1 3.27Å; G172-I176 WeakPolarHBondContact O-CG1 3.31Å; G172-I176 PolarHBondContact O-N 3.13Å
173	I	89.6	Confident	85	Confident	101 Å²	101	68.8 Å²	68.8	52%	0.518	38%	0.376	S	S	.	.	H	α-helix	trans	-64.8	-42.1	176	-67.9	167.2	0	0	0	111	I169 V170 L171 I176 K177	I169-I173 HydrophobicContact CG2-CD1 3.87Å; I169-I173 HydrophobicContact CG2-CG1 4.47Å; I169-I173 WeakPolarHBondContact O-CG1 3.48Å; I169-I173 PolarHBondContact O-N 2.75Å; V170-I173 PolarHBondContact O-N 2.65Å; L171-I173 PolarHBondContact O-N 3.09Å; I173-I176 PolarHBondContact O-N 3.3Å; I173-K177 WeakPolarHBondContact O-CB 3.29Å; I173-K177 PolarHBondContact O-N 2.88Å
174	L	88.8	Confident	86.2	Confident	80 Å²	80	74.2 Å²	74.2	42%	0.419	40%	0.399	S	S	.	.	H	α-helix	trans	-65.4	-40.4	177.5	-71	173.7	0	0	0	112.1	V170 L171 K177 N178	V170-L174 HydrophobicContact CG1-CD1 4.12Å; V170-L174 WeakPolarHBondContact O-CG 3.4Å; V170-L174 PolarHBondContact O-N 3.42Å; L171-L174 HydrophobicContact CD2-CD1 4.2Å; L171-L174 PolarHBondContact O-N 3.08Å; L174-K177 PolarHBondContact O-N 3.11Å; L174-N178 WeakPolarHBondContact O-CB 3.33Å; L174-N178 VanDerWaalsContact O-CG 3.3Å; L174-N178 PolarHBondContact O-N 3.03Å; L174-N178 PolarHBondContact O-ND2 2.84Å
175	D	90	Very high	87.4	Confident	75 Å²	75	77.4 Å²	77.4	40%	0.401	41%	0.409	S	S	.	.	H	α-helix	trans	-62.2	-46	174.7	178.1	57.4	0	0	0	111.5	L171 G172 K177 N178 K179	L171-D175 WeakPolarHBondContact O-CB 3.44Å; L171-D175 PolarHBondContact O-N 3.4Å; G172-D175 PolarHBondContact O-N 3.39Å; D175-K177 VanDerWaalsContact C-N 3.35Å; D175-K177 PolarHBondContact O-N 2.97Å; D175-N178 PolarHBondContact O-N 3.2Å; D175-K179 WeakPolarHBondContact O-CB 3.48Å; D175-K179 WeakPolarHBondContact O-CG 3.31Å; D175-K179 PolarHBondContact O-N 3.28Å; D175-K179 WeakPolarHBondContact OD1-CE 3.11Å; D175-K179 IonicContact OD1-NZ 3.72Å; D175-K179 WeakPolarHBondContact OD2-CE 3.35Å; D175-K179 IonicContact OD2-NZ 2.67Å; D175-K179 PolarHBondContact OD2-NZ 3.1Å
176	I	92.7	Very high	88.2	Confident	74 Å²	74	84.6 Å²	84.6	38%	0.379	44%	0.438	S	S	.	.	H	α-helix	trans	-59.9	-46.2	174.8	-67.9	165.3	0	0	0	110.5	G172 I173 N178 K179 V180	G172-I176 VanDerWaalsContact O-CG1 3.27Å; G172-I176 WeakPolarHBondContact O-CG1 3.31Å; G172-I176 PolarHBondContact O-N 3.13Å; I173-I176 PolarHBondContact O-N 3.3Å; I176-N178 VanDerWaalsContact C-N 3.3Å; I176-N178 PolarHBondContact O-N 2.71Å; I176-K179 PolarHBondContact O-N 3.2Å; I176-V180 HydrophobicContact CG2-CG2 4.23Å; I176-V180 WeakPolarHBondContact O-CB 3.17Å; I176-V180 VanDerWaalsContact O-CG2 3.25Å; I176-V180 WeakPolarHBondContact O-CG2 3.18Å; I176-V180 PolarHBondContact O-N 3.36Å
177	K	93.6	Very high	89	Confident	143 Å²	143	89.1 Å²	89.1	62%	0.622	45%	0.454	S	S	*	.	H	α-helix	trans	-57.5	-43.6	177.3	-177	-177.9	176	-176.2	0	111.6	I173 L174 D175 S181	I173-K177 WeakPolarHBondContact O-CB 3.29Å; I173-K177 PolarHBondContact O-N 2.88Å; L174-K177 PolarHBondContact O-N 3.11Å; D175-K177 VanDerWaalsContact C-N 3.35Å; D175-K177 PolarHBondContact O-N 2.97Å; K177-S181 WeakPolarHBondContact O-CB 3.36Å; K177-S181 PolarHBondContact O-N 2.92Å
178	N	92.8	Very high	89.8	Confident	93 Å²	93	94.8 Å²	94.8	50%	0.497	47%	0.473	S	S	.	.	H	α-helix	trans	-68.2	-43.4	178.6	-72.9	-20	0	0	0	112.1	L174 D175 I176 V180 S181 N182	L174-N178 WeakPolarHBondContact O-CB 3.33Å; L174-N178 VanDerWaalsContact O-CG 3.3Å; L174-N178 PolarHBondContact O-N 3.03Å; L174-N178 PolarHBondContact O-ND2 2.84Å; D175-N178 PolarHBondContact O-N 3.2Å; I176-N178 VanDerWaalsContact C-N 3.3Å; I176-N178 PolarHBondContact O-N 2.71Å; N178-V180 PolarHBondContact O-N 3.22Å; N178-S181 PolarHBondContact O-N 3.41Å; N178-N182 WeakPolarHBondContact O-CB 3.34Å; N178-N182 PolarHBondContact O-N 3.21Å; N178-N182 PolarHBondContact O-ND2 2.84Å
179	K	94.1	Very high	90.1	Very high	128 Å²	128	95.6 Å²	95.6	56%	0.557	50%	0.495	S	S	*	.	H	α-helix	trans	-58.9	-46.6	174.8	-77.8	172.2	176.9	164.7	0	111.4	D175 I176 N182 L183	D175-K179 WeakPolarHBondContact O-CB 3.48Å; D175-K179 WeakPolarHBondContact O-CG 3.31Å; D175-K179 PolarHBondContact O-N 3.28Å; D175-K179 WeakPolarHBondContact OD1-CE 3.11Å; D175-K179 IonicContact OD1-NZ 3.72Å; D175-K179 WeakPolarHBondContact OD2-CE 3.35Å; D175-K179 IonicContact OD2-NZ 2.67Å; D175-K179 PolarHBondContact OD2-NZ 3.1Å; I176-K179 PolarHBondContact O-N 3.2Å; K179-N182 PolarHBondContact O-N 3.12Å; K179-L183 WeakPolarHBondContact O-CB 3.18Å; K179-L183 PolarHBondContact O-N 3.1Å
180	V	93.7	Very high	89.7	Confident	69 Å²	69	96 Å²	96	42%	0.418	50%	0.495	S	S	.	.	H	α-helix	trans	-63.9	-44.6	176.9	171.7	0	0	0	0	111	I176 N178 N182 L183 F184	I176-V180 HydrophobicContact CG2-CG2 4.23Å; I176-V180 WeakPolarHBondContact O-CB 3.17Å; I176-V180 VanDerWaalsContact O-CG2 3.25Å; I176-V180 WeakPolarHBondContact O-CG2 3.18Å; I176-V180 PolarHBondContact O-N 3.36Å; N178-V180 PolarHBondContact O-N 3.22Å; V180-N182 PolarHBondContact O-N 2.8Å; V180-L183 WeakPolarHBondContact O-CB 3.35Å; V180-L183 PolarHBondContact O-N 2.73Å; V180-F184 HydrophobicContact CG1-CD2 3.76Å; V180-F184 HydrophobicContact CG1-CE2 3.45Å; V180-F184 VanDerWaalsContact CG1-CE2 3.45Å; V180-F184 WeakPolarHBondContact O-CD2 2.92Å; V180-F184 PolarHBondContact O-N 2.77Å
181	S	93.1	Very high	89	Confident	53 Å²	53	105.5 Å²	105.5	37%	0.371	53%	0.53	S	S	.	.	H	α-helix	trans	-59.1	-45.8	176.9	-176.6	0	0	0	0	112.4	K177 N178 L183 F184 K185	K177-S181 WeakPolarHBondContact O-CB 3.36Å; K177-S181 PolarHBondContact O-N 2.92Å; N178-S181 PolarHBondContact O-N 3.41Å; S181-L183 VanDerWaalsContact C-N 3.31Å; S181-L183 PolarHBondContact O-N 3.12Å; S181-F184 PolarHBondContact O-N 2.96Å; S181-K185 PolarHBondContact O-N 2.72Å; S181-K185 VanDerWaalsContact O-N 3.08Å
182	N	91.5	Very high	89.3	Confident	88 Å²	88	107.7 Å²	107.7	47%	0.471	54%	0.54	S	S	.	.	H	α-helix	trans	-66	-33.7	176.7	-72.3	-21.8	0	0	0	112.3	N178 K179 V180 K185 K186	N178-N182 WeakPolarHBondContact O-CB 3.34Å; N178-N182 PolarHBondContact O-N 3.21Å; N178-N182 PolarHBondContact O-ND2 2.84Å; K179-N182 PolarHBondContact O-N 3.12Å; V180-N182 PolarHBondContact O-N 2.8Å; N182-K185 PolarHBondContact O-N 3.38Å; N182-K186 WeakPolarHBondContact O-CG 3.39Å; N182-K186 PolarHBondContact O-N 2.82Å; N182-K186 VanDerWaalsContact O-N 3.09Å
183	L	93.2	Very high	89.5	Confident	111 Å²	111	112.5 Å²	112.5	58%	0.581	56%	0.559	S	S	*	*	H	α-helix	trans	-62	-44.1	173.8	-148.7	101.2	0	0	0	111	K179 V180 S181 K186 I187	K179-L183 WeakPolarHBondContact O-CB 3.18Å; K179-L183 PolarHBondContact O-N 3.1Å; V180-L183 WeakPolarHBondContact O-CB 3.35Å; V180-L183 PolarHBondContact O-N 2.73Å; S181-L183 VanDerWaalsContact C-N 3.31Å; S181-L183 PolarHBondContact O-N 3.12Å; L183-K186 PolarHBondContact O-N 3.36Å; L183-I187 HydrophobicContact CD2-CD1 4.31Å; L183-I187 WeakPolarHBondContact O-CG1 3.03Å; L183-I187 PolarHBondContact O-N 3.18Å
184	F	93.6	Very high	89.5	Confident	126 Å²	126	113.1 Å²	113.1	55%	0.553	56%	0.562	S	S	*	*	H	α-helix	trans	-65	-40.4	176.7	-79.6	-66.9	0	0	0	113.1	V180 S181 K186 I187 K188	V180-F184 HydrophobicContact CG1-CD2 3.76Å; V180-F184 HydrophobicContact CG1-CE2 3.45Å; V180-F184 VanDerWaalsContact CG1-CE2 3.45Å; V180-F184 WeakPolarHBondContact O-CD2 2.92Å; V180-F184 PolarHBondContact O-N 2.77Å; S181-F184 PolarHBondContact O-N 2.96Å; F184-K186 VanDerWaalsContact C-N 3.34Å; F184-K186 PolarHBondContact O-N 3.29Å; F184-I187 PolarHBondContact O-N 3.21Å; F184-K188 WeakPolarHBondContact O-CG 3.35Å; F184-K188 PolarHBondContact O-N 3.31Å
185	K	93.3	Very high	89.5	Confident	99 Å²	99	115.1 Å²	115.1	43%	0.43	57%	0.57	S	S	.	*	H	α-helix	trans	-59.8	-44	174.8	-71.1	-179.2	178.3	-177.5	0	111.8	S181 N182 I187 K188 G189 E190	S181-K185 PolarHBondContact O-N 2.72Å; S181-K185 VanDerWaalsContact O-N 3.08Å; N182-K185 PolarHBondContact O-N 3.38Å; K185-I187 VanDerWaalsContact C-N 3.34Å; K185-I187 PolarHBondContact O-N 3.49Å; K185-K188 PolarHBondContact O-N 2.94Å; K185-G189 PolarHBondContact O-N 2.82Å; K185-G189 VanDerWaalsContact O-N 3.12Å; K185-E190 PolarHBondContact O-N 2.02Å; K185-E190 VanDerWaalsContact O-N 3.1Å
186	K	89.4	Confident	89.5	Confident	175 Å²	175	117.6 Å²	117.6	76%	0.761	58%	0.581	S	S	*	*	H	α-helix	trans	-60.1	-41.6	174.8	-74.7	-179.6	178	-176.9	0	112.5	N182 L183 F184 G189	N182-K186 WeakPolarHBondContact O-CG 3.39Å; N182-K186 PolarHBondContact O-N 2.82Å; N182-K186 VanDerWaalsContact O-N 3.09Å; L183-K186 PolarHBondContact O-N 3.36Å; F184-K186 VanDerWaalsContact C-N 3.34Å; F184-K186 PolarHBondContact O-N 3.29Å; K186-G189 PolarHBondContact O-N 3.49Å
187	I	90.1	Very high	89.3	Confident	125 Å²	125	120.5 Å²	120.5	64%	0.641	59%	0.594	S	S	*	*	H	α-helix	trans	-66	-38.2	176.8	-67.7	165.5	0	0	0	111.3	L183 F184 K185 G189	L183-I187 HydrophobicContact CD2-CD1 4.31Å; L183-I187 WeakPolarHBondContact O-CG1 3.03Å; L183-I187 PolarHBondContact O-N 3.18Å; F184-I187 PolarHBondContact O-N 3.21Å; K185-I187 VanDerWaalsContact C-N 3.34Å; K185-I187 PolarHBondContact O-N 3.49Å; I187-G189 PolarHBondContact O-N 3.15Å
188	K	92.2	Very high	89	Confident	146 Å²	146	118.9 Å²	118.9	64%	0.635	59%	0.592	S	S	*	*	H	α-helix	trans	-75.4	-7.7	177.5	-71.1	-174.3	177.6	-173.6	0	114.2	F184 K185 E190	F184-K188 WeakPolarHBondContact O-CG 3.35Å; F184-K188 PolarHBondContact O-N 3.31Å; K185-K188 PolarHBondContact O-N 2.94Å; K188-E190 HydrophobicContact CB-CG 3.95Å; K188-E190 WeakPolarHBondContact CD-OE1 3.02Å; K188-E190 PolarHBondContact O-N 3.47Å
189	G	86.5	Confident	88.7	Confident	64 Å²	64	120.8 Å²	120.8	66%	0.66	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.4	16.8	-173.2	0	0	0	0	0	113.6	K185 K186 I187 K191	K185-G189 PolarHBondContact O-N 2.82Å; K185-G189 VanDerWaalsContact O-N 3.12Å; K186-G189 PolarHBondContact O-N 3.49Å; I187-G189 PolarHBondContact O-N 3.15Å; G189-K191 PolarHBondContact O-N 2.88Å
190	E	73.5	Confident	88.2	Confident	106 Å²	106	120.3 Å²	120.3	50%	0.495	60%	0.603	S	S	.	*			trans	-78	114.3	174.1	-69.1	171.1	-178.3	0	0	107.7	K185 K188	K185-E190 PolarHBondContact O-N 2.02Å; K185-E190 VanDerWaalsContact O-N 3.1Å; K188-E190 HydrophobicContact CB-CG 3.95Å; K188-E190 WeakPolarHBondContact CD-OE1 3.02Å; K188-E190 PolarHBondContact O-N 3.47Å
191	K	68.8	Low	87.8	Confident	281 Å²	281	124.9 Å²	124.9	100%	1.222	62%	0.62	S	S	*	*			trans	-69.8	0	174.3	-78.7	-175.5	177.4	178.4	0	111.6	G189	G189-K191 PolarHBondContact O-N 2.88Å

Retrieved 191 of 191 residues in 80.1 ms (Link to these results)

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