A0A087YJK5_POEFO Loading...

Reelin domain-containing protein

AlphaFold DB , UniProt , Accession A0A087YJK5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 167 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	L	38.3	Very low	44.1	Very low	221 Å²	221	160.2 Å²	160.2	100%	1.157	87%	0.866	S	S	*	*				0	77.2	0	-72.5	156.9	0	0	0	106.7
2	M	34.8	Very low	44.9	Very low	183 Å²	183	152.7 Å²	152.7	90%	0.901	85%	0.854	S	S	*	*				65.9	106.2	101.5	-71.6	179.9	91.6	0	0	112.8
3	M	41.3	Very low	46.1	Very low	185 Å²	185	147.9 Å²	147.9	91%	0.911	85%	0.846	S	S	*	*			trans	-72	161.2	167.8	-61.7	-161.4	172.5	0	0	111.4
4	P	46.9	Very low	47.3	Very low	127 Å²	127	146.6 Å²	146.6	83%	0.825	84%	0.842	S	S	*	*			trans	-129.4	124.4	147.8	34.2	-19.1	0	0	0	111.7
5	S	41.7	Very low	48.4	Very low	99 Å²	99	145 Å²	145	69%	0.692	84%	0.835	S	S	*	*			trans	-147.8	89.2	150.3	73	0	0	0	0	108.4	L7	S5-L7 PolarHBondContact O-N 3.35Å
6	N	42.2	Very low	49	Very low	163 Å²	163	145.7 Å²	145.7	87%	0.872	83%	0.834	S	S	*	*			trans	-88	97	168.1	-79.5	-12.4	0	0	0	108	L8	N6-L8 PolarHBondContact O-N 2.87Å
7	L	48.2	Very low	49.4	Very low	157 Å²	157	142.4 Å²	142.4	82%	0.822	82%	0.82	S	S	*	*			trans	-68.9	110.4	164.7	-85.2	149.8	0	0	0	108.4	S5 L9	S5-L7 PolarHBondContact O-N 3.35Å; L7-L9 PolarHBondContact O-N 2.9Å
8	L	51.4	Low	50.1	Low	147 Å²	147	140.3 Å²	140.3	77%	0.77	82%	0.815	S	S	*	*			trans	-71.2	102.5	168.7	-84.3	140.6	0	0	0	109.2	N6	N6-L8 PolarHBondContact O-N 2.87Å
9	L	44.8	Very low	50.5	Low	167 Å²	167	140.8 Å²	140.8	87%	0.874	81%	0.812	S	S	*	*			trans	-90	97.4	166.9	-87.2	153.2	0	0	0	109	L7 G11	L7-L9 PolarHBondContact O-N 2.9Å; L9-G11 PolarHBondContact O-N 2.81Å
10	W	48.3	Very low	51.1	Low	234 Å²	234	138.2 Å²	138.2	89%	0.886	81%	0.807	S	S	*	*			trans	-78.5	96.2	165	-78.2	78.5	0	0	0	108.7	G12	W10-G12 PolarHBondContact O-N 3.19Å; W10-G12 VanDerWaalsContact O-N 3.1Å
11	G	47.7	Very low	51.5	Low	79 Å²	79	136 Å²	136	81%	0.814	80%	0.8	S	S	*	*			trans	-71.3	95.8	170.6	0	0	0	0	0	110.5	L9 A13	L9-G11 PolarHBondContact O-N 2.81Å; G11-A13 PolarHBondContact O-N 3.29Å
12	G	53.7	Low	52.3	Low	70 Å²	70	130.6 Å²	130.6	72%	0.722	78%	0.778	S	S	*	*			trans	-74.3	107.3	171	0	0	0	0	0	110.7	W10 V14	W10-G12 PolarHBondContact O-N 3.19Å; W10-G12 VanDerWaalsContact O-N 3.1Å; G12-V14 PolarHBondContact O-N 2.76Å
13	A	60.3	Low	53.1	Low	91 Å²	91	129 Å²	129	75%	0.752	77%	0.772	S	S	*	*			trans	-74.9	101.7	168.7	0	0	0	0	0	109.3	G11 V15	G11-A13 PolarHBondContact O-N 3.29Å; A13-V15 PolarHBondContact O-N 2.83Å; A13-V15 VanDerWaalsContact O-N 3.16Å
14	V	63.3	Low	53.7	Low	130 Å²	130	125.7 Å²	125.7	79%	0.788	76%	0.757	S	S	*	*			trans	-77.3	97.8	169.1	179.4	0	0	0	0	107.6	G12 L16	G12-V14 PolarHBondContact O-N 2.76Å; V14-L16 PolarHBondContact O-N 3.49Å; V14-L16 VanDerWaalsContact O-N 3.09Å
15	V	63	Low	54	Low	122 Å²	122	124.6 Å²	124.6	74%	0.739	75%	0.751	S	S	*	*			trans	-74.7	96.3	169.6	178.9	0	0	0	0	107.5	A13 C17	A13-V15 PolarHBondContact O-N 2.83Å; A13-V15 VanDerWaalsContact O-N 3.16Å; V15-C17 VanDerWaalsContact C-N 3.29Å; V15-C17 PolarHBondContact O-N 2.91Å
16	L	58.6	Low	54.7	Low	156 Å²	156	126.2 Å²	126.2	82%	0.817	75%	0.746	S	S	*	*			trans	-73.1	88.1	171.4	-162.7	76.9	0	0	0	108.1	V14 S18	V14-L16 PolarHBondContact O-N 3.49Å; V14-L16 VanDerWaalsContact O-N 3.09Å; L16-S18 PolarHBondContact O-N 3.17Å
17	C	54.8	Low	56	Low	89 Å²	89	119.2 Å²	119.2	60%	0.601	71%	0.709	S	S	*	*			trans	-71	94.6	176.4	-149.7	0	0	0	0	108.2	V15 M19	V15-C17 VanDerWaalsContact C-N 3.29Å; V15-C17 PolarHBondContact O-N 2.91Å; C17-M19 VanDerWaalsContact C-N 3.3Å; C17-M19 HydrophobicContact CB-CE 4.31Å; C17-M19 PolarHBondContact O-N 2.79Å; C17-M19 WeakPolarHBondContact SG-CE 3.37Å
18	S	62.2	Low	57.5	Low	105 Å²	105	119 Å²	119	73%	0.734	70%	0.704	S	S	*	*			trans	-66.2	92.1	173.9	59	0	0	0	0	108.8	L16 A20	L16-S18 PolarHBondContact O-N 3.17Å; S18-A20 PolarHBondContact O-N 2.9Å
19	M	59	Low	59.3	Low	151 Å²	151	112.6 Å²	112.6	74%	0.744	67%	0.673	S	S	*	*			trans	-67.2	75.4	167.3	-68.9	-72.4	108.5	0	0	108.4	C17 S21	C17-M19 VanDerWaalsContact C-N 3.3Å; C17-M19 HydrophobicContact CB-CE 4.31Å; C17-M19 PolarHBondContact O-N 2.79Å; C17-M19 WeakPolarHBondContact SG-CE 3.37Å; M19-S21 PolarHBondContact O-N 2.94Å
20	A	61.4	Low	61.5	Low	88 Å²	88	105.4 Å²	105.4	73%	0.727	64%	0.638	S	S	*	*			trans	-71	84	163.8	0	0	0	0	0	106.7	S18	S18-A20 PolarHBondContact O-N 2.9Å
21	S	60	Low	63.4	Low	93 Å²	93	96.9 Å²	96.9	65%	0.65	61%	0.614	S	S	*	*			trans	-52.3	125.2	169.2	-68.1	0	0	0	0	107.9	M19 I23	M19-S21 PolarHBondContact O-N 2.94Å; S21-I23 PolarHBondContact O-N 2.79Å
22	P	53.9	Low	65.3	Low	106 Å²	106	98.5 Å²	98.5	69%	0.688	60%	0.603	S	S	*	*			trans	-59.3	116.6	173.8	22.6	-30	0	0	0	107.5	L24	P22-L24 PolarHBondContact O-N 2.89Å
23	I	52.1	Low	66.9	Low	151 Å²	151	100.4 Å²	100.4	77%	0.774	60%	0.601	S	S	*	*			trans	-68.6	90.3	172.8	-55.3	173.3	0	0	0	105.8	S21 C25	S21-I23 PolarHBondContact O-N 2.79Å; I23-C25 VanDerWaalsContact C-N 3.27Å; I23-C25 PolarHBondContact O-N 2.75Å
24	L	54	Low	68.3	Low	115 Å²	115	96.2 Å²	96.2	60%	0.602	57%	0.567	S	S	*	*			trans	-69.8	91.2	168.8	-65.8	175.1	0	0	0	106.7	P22 F26	P22-L24 PolarHBondContact O-N 2.89Å; L24-F26 VanDerWaalsContact C-N 3.26Å; L24-F26 HydrophobicContact CB-CD2 4.07Å; L24-F26 HydrophobicContact CB-CE1 4.46Å; L24-F26 HydrophobicContact CB-CE2 3.49Å; L24-F26 VanDerWaalsContact CB-CE2 3.49Å; L24-F26 HydrophobicContact CB-CZ 3.72Å; L24-F26 HydrophobicContact CD1-CE2 4.19Å; L24-F26 HydrophobicContact CD1-CZ 3.74Å; L24-F26 HydrophobicContact CG-CE2 4.5Å; L24-F26 HydrophobicContact CG-CZ 4.37Å; L24-F26 WeakPolarHBondContact O-CD2 3.34Å; L24-F26 PolarHBondContact O-N 3.37Å
25	C	53.9	Low	69.5	Low	104 Å²	104	90.2 Å²	90.2	70%	0.703	53%	0.53	S	S	*	.			trans	-67.5	88.5	168.6	-75.1	0	0	0	0	108.8	I23	I23-C25 VanDerWaalsContact C-N 3.27Å; I23-C25 PolarHBondContact O-N 2.75Å
26	F	56.2	Low	70.6	Confident	133 Å²	133	90.7 Å²	90.7	58%	0.583	52%	0.524	S	S	*	.			trans	-64.9	137.9	174.6	-67.4	-81.1	0	0	0	110.4	L24 H28	L24-F26 VanDerWaalsContact C-N 3.26Å; L24-F26 HydrophobicContact CB-CD2 4.07Å; L24-F26 HydrophobicContact CB-CE1 4.46Å; L24-F26 HydrophobicContact CB-CE2 3.49Å; L24-F26 VanDerWaalsContact CB-CE2 3.49Å; L24-F26 HydrophobicContact CB-CZ 3.72Å; L24-F26 HydrophobicContact CD1-CE2 4.19Å; L24-F26 HydrophobicContact CD1-CZ 3.74Å; L24-F26 HydrophobicContact CG-CE2 4.5Å; L24-F26 HydrophobicContact CG-CZ 4.37Å; L24-F26 WeakPolarHBondContact O-CD2 3.34Å; L24-F26 PolarHBondContact O-N 3.37Å; F26-H28 PolarHBondContact O-CD2 2.97Å; F26-H28 PolarHBondContact O-N 3.05Å
27	S	69.3	Low	72	Confident	15 Å²	15	89 Å²	89	11%	0.105	51%	0.512	C	S	.	.			trans	-76.6	104	167.9	-156.2	0	0	0	0	108	G29 H120 S121 K123	S27-G29 PolarHBondContact O-N 3.27Å; S27-H120 PolarHBondContact OG-NE2 3.4Å; S27-S121 CarbonylContact O-C 3.56Å; S27-K123 VanDerWaalsContact CB-CG 3.48Å; S27-K123 WeakPolarHBondContact OG-CE 3.43Å
28	H	80.4	Confident	73.7	Confident	153 Å²	153	85 Å²	85	71%	0.708	49%	0.485	S	S	*	.			trans	-74.3	10.2	178.4	-70.8	-80	0	0	0	113.8	F26 H107	F26-H28 PolarHBondContact O-CD2 2.97Å; F26-H28 PolarHBondContact O-N 3.05Å; H28-H107 PolarHBondContact O-CE1 2.76Å; H28-H107 PolarHBondContact O-NE2 3.31Å
29	G	88.1	Confident	75.1	Confident	12 Å²	12	83.4 Å²	83.4	12%	0.124	47%	0.468	C	S	.	.			trans	80.4	-160.2	-177.2	0	0	0	0	0	113.7	S27 H120	S27-G29 PolarHBondContact O-N 3.27Å; G29-H120 WeakPolarHBondContact CA-O 3.44Å
30	A	91.1	Very high	76.5	Confident	16 Å²	16	76.8 Å²	76.8	13%	0.132	44%	0.436	C	S	.	.			trans	-72.9	146.1	173.6	0	0	0	0	0	111.6	L84 L109 T119	A30-L84 HydrophobicContact CB-CD1 3.73Å; A30-L84 HydrophobicContact CB-CD2 4.47Å; A30-L84 HydrophobicContact CB-CG 4.48Å; A30-L109 HydrophobicContact CB-CD1 4.47Å; A30-T119 HydrophobicContact CB-CG2 4.5Å; A30-T119 PolarHBondContact N-OG1 2.89Å
31	S	88.8	Confident	77.6	Confident	55 Å²	55	75.4 Å²	75.4	39%	0.385	43%	0.43	S	S	.	.			trans	-80.5	161.7	172.3	53.5	0	0	0	0	111.6	T33 S34	S31-T33 PolarHBondContact O-N 2.94Å; S31-T33 VanDerWaalsContact O-N 3.16Å; S31-T33 PolarHBondContact OG-OG1 3.11Å; S31-S34 WeakPolarHBondContact O-CB 3.19Å; S31-S34 PolarHBondContact O-N 2.68Å
32	L	87	Confident	78.5	Confident	113 Å²	113	75.8 Å²	75.8	59%	0.592	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-29.7	175	-72.5	170.8	0	0	0	113.1	S34 C35 R110	L32-S34 PolarHBondContact O-N 3.01Å; L32-C35 WeakPolarHBondContact O-CB 3.17Å; L32-C35 PolarHBondContact O-N 3.49Å; L32-C35 VanDerWaalsContact O-N 3.12Å; L32-C35 PolarHBondContact O-SG 3.18Å; L32-R110 WeakPolarHBondContact CD2-O 3.31Å
33	T	86.9	Confident	79.6	Confident	110 Å²	110	71.4 Å²	71.4	68%	0.675	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-30.2	175.1	51.8	0	0	0	0	113	S31 C35	S31-T33 PolarHBondContact O-N 2.94Å; S31-T33 VanDerWaalsContact O-N 3.16Å; S31-T33 PolarHBondContact OG-OG1 3.11Å; T33-C35 PolarHBondContact O-N 2.9Å
34	S	89.3	Confident	80.9	Confident	4 Å²	4	76.4 Å²	76.4	3%	0.028	40%	0.401	C	S	.	.	H	α-helix	trans	-73.2	-13.3	177	-67.2	0	0	0	0	112.9	S31 L32 Q36 M38 I39 G41 L84	S31-S34 WeakPolarHBondContact O-CB 3.19Å; S31-S34 PolarHBondContact O-N 2.68Å; L32-S34 PolarHBondContact O-N 3.01Å; S34-Q36 VanDerWaalsContact C-N 3.28Å; S34-Q36 PolarHBondContact O-N 3.48Å; S34-M38 WeakPolarHBondContact O-CA 3.34Å; S34-M38 PolarHBondContact O-N 2.94Å; S34-I39 VanDerWaalsContact CB-O 3.24Å; S34-I39 WeakPolarHBondContact CB-O 3.5Å; S34-I39 PolarHBondContact OG-O 2.81Å; S34-G41 PolarHBondContact OG-N 3.02Å; S34-L84 WeakPolarHBondContact O-CD2 3.32Å
35	C	89.3	Confident	82.3	Confident	4 Å²	4	71.9 Å²	71.9	3%	0.027	38%	0.381	C	S	.	.	H	α-helix	trans	-57.1	-39.6	-176.6	-71.1	0	0	0	0	112.9	L32 T33 Q86 R88 R94 C111	L32-C35 WeakPolarHBondContact O-CB 3.17Å; L32-C35 PolarHBondContact O-N 3.49Å; L32-C35 VanDerWaalsContact O-N 3.12Å; L32-C35 PolarHBondContact O-SG 3.18Å; T33-C35 PolarHBondContact O-N 2.9Å; C35-Q86 PolarHBondContact O-NE2 3.24Å; C35-Q86 PolarHBondContact O-OE1 3.15Å; C35-R88 PolarHBondContact O-NH2 2.94Å; C35-R88 VanDerWaalsContact O-NH2 3.14Å; C35-R94 PolarHBondContact O-NE 2.95Å; C35-R94 VanDerWaalsContact O-NE 3.17Å; C35-R94 PolarHBondContact O-NH2 3.34Å; C35-C111 HydrophobicContact CB-CB 3.48Å; C35-C111 VanDerWaalsContact CB-CB 3.48Å; C35-C111 WeakPolarHBondContact CB-SG 3.49Å; C35-C111 WeakPolarHBondContact SG-CB 3.4Å; C35-C111 CovalentContact SG-SG 2.01Å; C35-C111 PolarHBondContact SG-SG 2.84Å
36	Q	86.2	Confident	83.8	Confident	131 Å²	131	74.8 Å²	74.8	61%	0.612	38%	0.383	S	S	*	.	H	α-helix	trans	-85.3	-57.3	-168.4	-167	158.9	-19.2	0	0	111.5	S34 M38 R88	S34-Q36 VanDerWaalsContact C-N 3.28Å; S34-Q36 PolarHBondContact O-N 3.48Å; Q36-M38 PolarHBondContact O-N 3.35Å; Q36-R88 PolarHBondContact O-NH1 2.89Å; Q36-R88 PolarHBondContact O-NH2 2.78Å
37	E	86.9	Confident	85.4	Confident	121 Å²	121	71.3 Å²	71.3	57%	0.565	37%	0.374	S	S	*	.	H	α-helix	trans	-75.7	-16.3	-179.6	-54.2	-49.7	127.2	0	0	112.5	I39	E37-I39 HydrophobicContact CB-CB 4.07Å; E37-I39 HydrophobicContact CB-CD1 3.79Å; E37-I39 HydrophobicContact CB-CG1 3.76Å; E37-I39 PolarHBondContact O-N 3.46Å; E37-I39 VanDerWaalsContact O-N 3.15Å
38	M	91.6	Very high	86.4	Confident	4 Å²	4	74.6 Å²	74.6	2%	0.02	39%	0.39	C	S	.	.			trans	55.6	21.4	-166.9	-50.6	-164.8	65.6	0	0	113.3	S34 Q36 L84 Q86 R88 H146 T148 T158	S34-M38 WeakPolarHBondContact O-CA 3.34Å; S34-M38 PolarHBondContact O-N 2.94Å; Q36-M38 PolarHBondContact O-N 3.35Å; M38-L84 WeakPolarHBondContact CE-O 3.15Å; M38-Q86 HydrophobicContact CE-CB 4.35Å; M38-Q86 HydrophobicContact CE-CG 4.36Å; M38-R88 VanDerWaalsContact SD-CZ 3.52Å; M38-R88 PolarHBondContact SD-NH2 3.43Å; M38-H146 HydrophobicContact CE-CB 3.9Å; M38-H146 WeakPolarHBondContact CE-O 3.13Å; M38-H146 HydrophobicContact SD-CB 3.59Å; M38-H146 VanDerWaalsContact SD-CB 3.59Å; M38-T148 WeakPolarHBondContact CB-OG1 3.24Å; M38-T148 WeakPolarHBondContact O-CB 3.18Å; M38-T148 VanDerWaalsContact O-CG2 3.29Å; M38-T148 WeakPolarHBondContact O-CG2 3.03Å; M38-T148 PolarHBondContact O-OG1 2.71Å; M38-T158 PolarHBondContact O-OG1 2.91Å
39	I	91.2	Very high	86.9	Confident	73 Å²	73	70.9 Å²	70.9	37%	0.374	38%	0.376	S	S	.	.			trans	-92.7	129.7	179.1	-63.6	174.4	0	0	0	109.1	S34 E37 G41	S34-I39 VanDerWaalsContact CB-O 3.24Å; S34-I39 WeakPolarHBondContact CB-O 3.5Å; S34-I39 PolarHBondContact OG-O 2.81Å; E37-I39 HydrophobicContact CB-CB 4.07Å; E37-I39 HydrophobicContact CB-CD1 3.79Å; E37-I39 HydrophobicContact CB-CG1 3.76Å; E37-I39 PolarHBondContact O-N 3.46Å; E37-I39 VanDerWaalsContact O-N 3.15Å; I39-G41 PolarHBondContact O-N 2.95Å
40	P	88.8	Confident	87	Confident	11 Å²	11	72.6 Å²	72.6	7%	0.071	38%	0.384	C	S	.	.			trans	-63.8	120.9	175.6	-15.8	28.5	0	0	0	111.1	H42 I43 T148 V150 Y156	P40-H42 VanDerWaalsContact C-N 3.34Å; P40-H42 PolarHBondContact O-N 2.88Å; P40-I43 HydrophobicContact CB-CB 4.12Å; P40-I43 HydrophobicContact CB-CD1 3.79Å; P40-I43 HydrophobicContact CB-CG1 4.11Å; P40-I43 HydrophobicContact CG-CD1 4.17Å; P40-T148 HydrophobicContact CG-CG2 3.92Å; P40-V150 HydrophobicContact CB-CG2 4.18Å; P40-V150 HydrophobicContact CG-CG2 3.71Å; P40-Y156 VanDerWaalsContact CD-CE2 3.43Å; P40-Y156 HydrophobicContact CG-CD2 3.76Å; P40-Y156 HydrophobicContact CG-CE2 4.04Å; P40-Y156 HydrophobicContact CG-CG 4.08Å
41	G	83.8	Confident	86.8	Confident	59 Å²	59	80.6 Å²	80.6	61%	0.608	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-19.9	-172.1	0	0	0	0	0	116	S34 I39	S34-G41 PolarHBondContact OG-N 3.02Å; I39-G41 PolarHBondContact O-N 2.95Å
42	H	78.9	Confident	86.9	Confident	102 Å²	102	84.7 Å²	84.7	47%	0.472	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	5.8	-176.4	60.6	-91.2	0	0	0	113.4	P40 Y153	P40-H42 VanDerWaalsContact C-N 3.34Å; P40-H42 PolarHBondContact O-N 2.88Å; H42-Y153 AromaticContact CD2-CE1 3.81Å
43	I	78.3	Confident	87.2	Confident	13 Å²	13	80.4 Å²	80.4	7%	0.067	41%	0.409	C	S	.	.			trans	-109.5	121.7	-178.6	-68.4	178.1	0	0	0	108.7	P40 A45 V150 Y153 Y156	P40-I43 HydrophobicContact CB-CB 4.12Å; P40-I43 HydrophobicContact CB-CD1 3.79Å; P40-I43 HydrophobicContact CB-CG1 4.11Å; P40-I43 HydrophobicContact CG-CD1 4.17Å; I43-A45 HydrophobicContact CG2-CB 3.62Å; I43-A45 PolarHBondContact O-N 3.23Å; I43-V150 HydrophobicContact CD1-CB 4.2Å; I43-V150 HydrophobicContact CD1-CG1 3.38Å; I43-V150 HydrophobicContact CD1-CG2 3.69Å; I43-Y153 HydrophobicContact CG1-CD1 4.35Å; I43-Y153 WeakPolarHBondContact CG2-O 3.35Å; I43-Y156 HydrophobicContact CG2-CD1 3.91Å; I43-Y156 HydrophobicContact CG2-CE1 3.94Å
44	R	78.3	Confident	87.5	Confident	256 Å²	256	78.5 Å²	78.5	97%	0.966	39%	0.391	S	S	*	.			trans	-93.3	42.6	176.5	-62	-174.8	-175.9	172.5	1.1	111.7
45	A	83.3	Confident	87.9	Confident	21 Å²	21	78.8 Å²	78.8	17%	0.174	39%	0.392	C	S	.	.	S	Bend	trans	-117	161.4	177	0	0	0	0	0	110.4	I43 Y156	I43-A45 HydrophobicContact CG2-CB 3.62Å; I43-A45 PolarHBondContact O-N 3.23Å; A45-Y156 HydrophobicContact CB-CD1 4.3Å; A45-Y156 HydrophobicContact CB-CE1 4Å; A45-Y156 WeakPolarHBondContact O-CE1 3.21Å; A45-Y156 PolarHBondContact O-OH 3.46Å
46	H	86.1	Confident	88.3	Confident	165 Å²	165	82.2 Å²	82.2	76%	0.764	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-88.1	147.6	170.5	-67.8	88.3	0	0	0	109.8	Y156	H46-Y156 VanDerWaalsContact C-CE1 3.48Å; H46-Y156 WeakPolarHBondContact O-CE1 3Å
47	P	89	Confident	88.9	Confident	60 Å²	60	76.5 Å²	76.5	39%	0.39	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-66.4	141.6	176.6	27.5	-29.7	0	0	0	109.6	Y156 T158	P47-Y156 HydrophobicContact CB-CD2 4.23Å; P47-Y156 HydrophobicContact CB-CE2 3.56Å; P47-Y156 WeakPolarHBondContact CD-OH 3.29Å; P47-Y156 HydrophobicContact CG-CE2 4.4Å; P47-Y156 VanDerWaalsContact N-CZ 3.33Å; P47-T158 HydrophobicContact CB-CG2 3.65Å; P47-T158 HydrophobicContact CG-CG2 4.13Å
48	L	92	Very high	89.4	Confident	83 Å²	83	74.8 Å²	74.8	44%	0.435	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-79.2	159.2	167.3	-62.8	-178.6	0	0	0	110.5	P50 V155 Y156 W157	L48-P50 WeakPolarHBondContact O-CD 3.04Å; L48-V155 HydrophobicContact CD1-CG1 3.81Å; L48-Y156 PolarHBondContact N-O 2.79Å; L48-W157 HydrophobicContact CB-CG 4.36Å; L48-W157 HydrophobicContact CD1-CH2 4.33Å; L48-W157 HydrophobicContact CD1-CZ2 3.69Å
49	D	90.8	Very high	89.8	Confident	76 Å²	76	76.3 Å²	76.3	41%	0.406	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-57.8	118.7	178.6	-174.7	-15.5	0	0	0	110.8	K51 H52 W157	D49-K51 PolarHBondContact O-N 2.64Å; D49-K51 WeakPolarHBondContact OD1-CB 3.48Å; D49-K51 WeakPolarHBondContact OD1-CG 3.33Å; D49-K51 PolarHBondContact OD1-N 3.34Å; D49-H52 PolarHBondContact O-N 3.17Å; D49-H52 VanDerWaalsContact O-N 3.11Å; D49-W157 VanDerWaalsContact O-CD1 3.28Å
50	P	88.9	Confident	90.1	Very high	48 Å²	48	76.6 Å²	76.6	31%	0.312	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-60.6	-26.6	179.9	22.8	-32.8	0	0	0	113.7	L48 H52 S53 T158 V160	L48-P50 WeakPolarHBondContact O-CD 3.04Å; P50-H52 PolarHBondContact O-N 2.84Å; P50-S53 VanDerWaalsContact O-CB 3.24Å; P50-S53 WeakPolarHBondContact O-CB 3.4Å; P50-S53 PolarHBondContact O-N 3.12Å; P50-S53 VanDerWaalsContact O-N 3.07Å; P50-S53 PolarHBondContact O-OG 2.77Å; P50-T158 WeakPolarHBondContact CB-O 3.21Å; P50-V160 HydrophobicContact CB-CG2 3.8Å
51	K	88.1	Confident	90.6	Very high	183 Å²	183	77.6 Å²	77.6	80%	0.796	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-64.6	-24.2	177.6	-65	179.2	179.7	177.1	0	112.8	D49	D49-K51 PolarHBondContact O-N 2.64Å; D49-K51 WeakPolarHBondContact OD1-CB 3.48Å; D49-K51 WeakPolarHBondContact OD1-CG 3.33Å; D49-K51 PolarHBondContact OD1-N 3.34Å
52	H	90.1	Very high	91.2	Very high	142 Å²	142	78.6 Å²	78.6	66%	0.657	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-104	17.9	177	-58.9	159.2	0	0	0	112.2	D49 P50	D49-H52 PolarHBondContact O-N 3.17Å; D49-H52 VanDerWaalsContact O-N 3.11Å; P50-H52 PolarHBondContact O-N 2.84Å
53	S	92.8	Very high	92.1	Very high	23 Å²	23	76.4 Å²	76.4	16%	0.161	40%	0.398	C	S	.	.			trans	-71.6	156.7	175.2	76.7	0	0	0	0	111.6	P50 I55	P50-S53 VanDerWaalsContact O-CB 3.24Å; P50-S53 WeakPolarHBondContact O-CB 3.4Å; P50-S53 PolarHBondContact O-N 3.12Å; P50-S53 VanDerWaalsContact O-N 3.07Å; P50-S53 PolarHBondContact O-OG 2.77Å; S53-I55 PolarHBondContact O-N 3Å; S53-I55 PolarHBondContact OG-N 2.94Å; S53-I55 PolarHBondContact OG-O 3.14Å
54	F	94.8	Very high	93	Very high	69 Å²	69	75.9 Å²	75.9	30%	0.303	40%	0.395	S	S	.	.	S	Bend	trans	-86.6	8.1	172.5	-58.7	-71.9	0	0	0	112.4	S76 S77 R78 W157	F54-S76 VanDerWaalsContact O-CA 3.26Å; F54-S76 WeakPolarHBondContact O-CA 3.26Å; F54-S77 WeakPolarHBondContact CB-OG 3.31Å; F54-S77 WeakPolarHBondContact CD1-OG 3.36Å; F54-S77 PolarHBondContact O-N 3.22Å; F54-R78 HydrophobicContact CB-CB 4.41Å; F54-R78 HydrophobicContact CB-CG 4.21Å; F54-R78 HydrophobicContact CD1-CG 4.16Å; F54-R78 HydrophobicContact CD2-CB 4.48Å; F54-R78 VanDerWaalsContact CD2-CD 3.42Å; F54-R78 HydrophobicContact CD2-CG 3.99Å; F54-R78 VanDerWaalsContact CE1-NE 3.27Å; F54-R78 VanDerWaalsContact CE2-CD 3.5Å; F54-R78 HydrophobicContact CE2-CG 4.48Å; F54-R78 HydrophobicContact CG-CB 4.43Å; F54-R78 HydrophobicContact CG-CG 3.82Å; F54-W157 AromaticContact CD2-CH2 3.99Å; F54-W157 HydrophobicContact CD2-CH2 3.99Å; F54-W157 HydrophobicContact CD2-CZ2 4.05Å; F54-W157 HydrophobicContact CE2-CH2 4.1Å; F54-W157 AromaticContact CE2-CZ2 3.97Å; F54-W157 HydrophobicContact CE2-CZ2 3.97Å
55	I	97.5	Very high	93.9	Very high	11 Å²	11	69.2 Å²	69.2	6%	0.056	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	139.7	-167.2	-49.8	-59.3	0	0	0	110	S53 V74 R75 S76 F80 I147 V149 V160	S53-I55 PolarHBondContact O-N 3Å; S53-I55 PolarHBondContact OG-N 2.94Å; S53-I55 PolarHBondContact OG-O 3.14Å; I55-V74 HydrophobicContact CG2-CG1 3.86Å; I55-R75 CarbonylContact C-O 3.6Å; I55-R75 WeakPolarHBondContact CA-O 3.38Å; I55-S76 VanDerWaalsContact CD1-CB 3.46Å; I55-S76 VanDerWaalsContact CD1-OG 3.24Å; I55-S76 WeakPolarHBondContact CD1-OG 3.47Å; I55-F80 HydrophobicContact CD1-CD1 4.13Å; I55-F80 HydrophobicContact CD1-CE1 4.4Å; I55-I147 HydrophobicContact CG2-CG2 4.07Å; I55-V149 HydrophobicContact CD1-CB 4.27Å; I55-V149 HydrophobicContact CD1-CG1 3.87Å; I55-V149 HydrophobicContact CD1-CG2 4.09Å; I55-V149 HydrophobicContact CG1-CB 4.05Å; I55-V149 HydrophobicContact CG1-CG1 4.18Å; I55-V149 HydrophobicContact CG1-CG2 3.86Å; I55-V149 HydrophobicContact CG2-CG2 4.11Å; I55-V160 HydrophobicContact CB-CG1 4.27Å; I55-V160 HydrophobicContact CG2-CG1 4.3Å
56	T	97.6	Very high	94.5	Very high	76 Å²	76	71.2 Å²	71.2	47%	0.466	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	133	172.1	-53.4	0	0	0	0	110	Q58 R75	T56-Q58 HydrophobicContact CG2-CG 4.21Å; T56-R75 PolarHBondContact N-O 3.24Å; T56-R75 PolarHBondContact O-N 3.17Å
57	L	98.2	Very high	95	Very high	11 Å²	11	64.2 Å²	64.2	6%	0.058	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.9	172	-67.9	179.4	0	0	0	109.8	T73 V74 L85 F145 I147	L57-T73 WeakPolarHBondContact CA-O 3.25Å; L57-V74 HydrophobicContact CD2-CB 4.27Å; L57-V74 HydrophobicContact CD2-CG1 4.36Å; L57-V74 HydrophobicContact CD2-CG2 3.64Å; L57-L85 HydrophobicContact CD1-CD1 4.36Å; L57-L85 HydrophobicContact CD2-CD1 4.12Å; L57-F145 HydrophobicContact CD1-CB 4.11Å; L57-F145 VanDerWaalsContact CD1-O 3.28Å; L57-F145 WeakPolarHBondContact CD1-O 3.45Å; L57-I147 HydrophobicContact CD1-CB 4.08Å; L57-I147 HydrophobicContact CD1-CG2 3.74Å; L57-I147 HydrophobicContact CD2-CB 4.25Å; L57-I147 HydrophobicContact CD2-CD1 4.35Å; L57-I147 HydrophobicContact CD2-CG2 3.95Å; L57-I147 HydrophobicContact CG-CG2 3.9Å
58	Q	98.4	Very high	95.4	Very high	84 Å²	84	64.2 Å²	64.2	39%	0.393	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.6	176.6	-63.6	179.5	-28.8	0	0	109.6	T56 V72 T73	T56-Q58 HydrophobicContact CG2-CG 4.21Å; Q58-V72 CarbonylContact O-C 3.54Å; Q58-V72 WeakPolarHBondContact O-CA 3.4Å; Q58-T73 PolarHBondContact N-O 3.18Å; Q58-T73 PolarHBondContact O-N 2.01Å
59	T	98.6	Very high	95.7	Very high	36 Å²	36	64 Å²	64	22%	0.221	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	146.4	175.8	57.5	0	0	0	0	109.5	S61 I70 T71 F145 V165	T59-S61 WeakPolarHBondContact CB-O 3.32Å; T59-S61 PolarHBondContact O-N 3.01Å; T59-S61 PolarHBondContact OG1-O 2.99Å; T59-I70 HydrophobicContact CG2-CG2 4.49Å; T59-T71 CarbonylContact C-O 3.6Å; T59-T71 WeakPolarHBondContact CA-O 3.36Å; T59-F145 HydrophobicContact CG2-CD2 3.53Å; T59-F145 HydrophobicContact CG2-CE2 3.64Å; T59-V165 HydrophobicContact CG2-CG2 3.91Å
60	S	98.6	Very high	96.1	Very high	80 Å²	80	60.3 Å²	60.3	56%	0.559	34%	0.336	S	S	*	.	S	Bend	trans	-71.3	-12.5	176.3	60.2	0	0	0	0	113.7	T71	S60-T71 PolarHBondContact N-O 2.64Å; S60-T71 PolarHBondContact OG-N 3.22Å
61	S	97.9	Very high	96.5	Very high	31 Å²	31	60.3 Å²	60.3	22%	0.217	34%	0.335	C	S	.	.			trans	-145.6	151.2	179.6	-173.1	0	0	0	0	110.2	T59 S63	T59-S61 WeakPolarHBondContact CB-O 3.32Å; T59-S61 PolarHBondContact O-N 3.01Å; T59-S61 PolarHBondContact OG1-O 2.99Å; S61-S63 VanDerWaalsContact CB-O 3.3Å; S61-S63 WeakPolarHBondContact CB-O 3.11Å; S61-S63 PolarHBondContact OG-N 3.02Å; S61-S63 PolarHBondContact OG-O 2.75Å
62	S	97.9	Very high	97	Very high	80 Å²	80	51.6 Å²	51.6	56%	0.559	30%	0.297	S	S	*	.	S	Bend	trans	-95.3	0.2	171.8	59.1	0	0	0	0	113.1	V165 R166	S62-V165 WeakPolarHBondContact O-CA 3.5Å; S62-R166 PolarHBondContact O-N 3.31Å
63	S	97.3	Very high	97.4	Very high	57 Å²	57	46.3 Å²	46.3	40%	0.399	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-144.7	163.1	172.5	58.9	0	0	0	0	111.7	S61 R166	S61-S63 VanDerWaalsContact CB-O 3.3Å; S61-S63 WeakPolarHBondContact CB-O 3.11Å; S61-S63 PolarHBondContact OG-N 3.02Å; S61-S63 PolarHBondContact OG-O 2.75Å; S63-R166 CarbonylContact C-O 3.45Å; S63-R166 WeakPolarHBondContact CA-O 3.31Å; S63-R166 VanDerWaalsContact CB-O 3.31Å; S63-R166 WeakPolarHBondContact CB-O 3.43Å
64	Y	96.5	Very high	97.7	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.008	27%	0.267	C	S	.	.			trans	-141.7	146.6	178.7	75.1	-96.5	0	0	0	112.2	Q68 I70 W133 A135 G141 I143 V165 R166 D167	Y64-Q68 VanDerWaalsContact CA-OE1 3.29Å; Y64-I70 VanDerWaalsContact CB-CD1 3.49Å; Y64-I70 HydrophobicContact CD1-CD1 4.48Å; Y64-I70 HydrophobicContact CG-CD1 4.26Å; Y64-W133 HydrophobicContact CG-CZ3 4.4Å; Y64-A135 HydrophobicContact CD2-CB 3.5Å; Y64-A135 HydrophobicContact CE2-CB 4.05Å; Y64-A135 HydrophobicContact CG-CB 4.23Å; Y64-G141 PolarHBondContact OH-O 3.21Å; Y64-I143 HydrophobicContact CD1-CD1 4.14Å; Y64-I143 HydrophobicContact CD1-CG1 4.26Å; Y64-I143 HydrophobicContact CE1-CB 4.46Å; Y64-I143 HydrophobicContact CE1-CD1 3.88Å; Y64-I143 HydrophobicContact CE1-CG1 3.81Å; Y64-I143 HydrophobicContact CE1-CG2 3.96Å; Y64-V165 HydrophobicContact CD1-CB 4.35Å; Y64-V165 HydrophobicContact CD1-CG1 3.71Å; Y64-V165 HydrophobicContact CG-CG1 4.47Å; Y64-R166 PolarHBondContact N-O 3.23Å; Y64-D167 HydrophobicContact CE1-CB 4.11Å; Y64-D167 HydrophobicContact CE2-CB 4.33Å; Y64-D167 WeakPolarHBondContact CE2-OD1 3.26Å; Y64-D167 VanDerWaalsContact CZ-OD1 3.26Å; Y64-D167 VanDerWaalsContact O-OXT 3.14Å; Y64-D167 WeakPolarHBondContact OH-CB 3.5Å; Y64-D167 VanDerWaalsContact OH-CG 3.25Å; Y64-D167 PolarHBondContact OH-OD1 3.23Å
65	L	96.7	Very high	97.9	Very high	115 Å²	115	48.1 Å²	48.1	60%	0.602	28%	0.276	S	S	*	.			trans	-100.6	161.4	168	-64.4	175	0	0	0	110.2	G67 Q68 A135	L65-G67 PolarHBondContact O-N 3.34Å; L65-Q68 HydrophobicContact CB-CB 4.34Å; L65-Q68 WeakPolarHBondContact O-CB 3.28Å; L65-Q68 PolarHBondContact O-N 3.23Å; L65-A135 WeakPolarHBondContact O-CB 3.45Å
66	P	96.3	Very high	97.9	Very high	63 Å²	63	48.3 Å²	48.3	41%	0.409	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	129.5	172.4	-30	36.7	0	0	0	112.8	Q68 P136 P139	P66-Q68 PolarHBondContact O-N 3.27Å; P66-P136 VanDerWaalsContact CA-O 3.25Å; P66-P136 WeakPolarHBondContact CA-O 3.44Å; P66-P139 HydrophobicContact CG-CG 4.49Å
67	G	96.8	Very high	97.9	Very high	18 Å²	18	48.8 Å²	48.8	19%	0.186	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	-0.5	-177.8	0	0	0	0	0	116.2	L65 A135 P136	L65-G67 PolarHBondContact O-N 3.34Å; G67-A135 WeakPolarHBondContact CA-O 3.45Å; G67-A135 PolarHBondContact N-O 2.85Å; G67-P136 PolarHBondContact N-O 3.16Å
68	Q	97.6	Very high	97.8	Very high	61 Å²	61	54.2 Å²	54.2	29%	0.285	30%	0.304	S	S	.	.			trans	-62	145.2	178.8	-178.2	172.8	-12.1	0	0	111.7	Y64 L65 P66 A135	Y64-Q68 VanDerWaalsContact CA-OE1 3.29Å; L65-Q68 HydrophobicContact CB-CB 4.34Å; L65-Q68 WeakPolarHBondContact O-CB 3.28Å; L65-Q68 PolarHBondContact O-N 3.23Å; P66-Q68 PolarHBondContact O-N 3.27Å; Q68-A135 PolarHBondContact O-N 2.57Å
69	L	98.4	Very high	97.8	Very high	77 Å²	77	52.7 Å²	52.7	40%	0.403	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.7	173.3	-54.6	-174.1	0	0	0	110.7	I100 V132 W133 R134	L69-I100 HydrophobicContact CD1-CD1 3.91Å; L69-I100 HydrophobicContact CD2-CD1 3.48Å; L69-I100 VanDerWaalsContact CD2-CD1 3.48Å; L69-I100 HydrophobicContact CD2-CG1 4.39Å; L69-I100 HydrophobicContact CG-CD1 4.31Å; L69-V132 HydrophobicContact CB-CG1 4Å; L69-V132 HydrophobicContact CD1-CG1 4.44Å; L69-V132 HydrophobicContact CD2-CG1 4.48Å; L69-W133 CarbonylContact C-O 3.58Å; L69-W133 WeakPolarHBondContact CA-O 3.34Å; L69-R134 HydrophobicContact CD2-CB 3.7Å; L69-R134 HydrophobicContact CD2-CG 3.83Å
70	I	98.4	Very high	97.7	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.2	174.8	-55.9	177.7	0	0	0	108.8	T59 Y64 V72 W133 V165	T59-I70 HydrophobicContact CG2-CG2 4.49Å; Y64-I70 VanDerWaalsContact CB-CD1 3.49Å; Y64-I70 HydrophobicContact CD1-CD1 4.48Å; Y64-I70 HydrophobicContact CG-CD1 4.26Å; I70-V72 HydrophobicContact CG2-CG2 4.35Å; I70-W133 HydrophobicContact CB-CE3 4.31Å; I70-W133 HydrophobicContact CD1-CE3 3.9Å; I70-W133 HydrophobicContact CD1-CZ3 3.83Å; I70-W133 HydrophobicContact CG1-CE3 4.25Å; I70-W133 PolarHBondContact N-O 3.01Å; I70-W133 PolarHBondContact O-N 2.85Å; I70-V165 HydrophobicContact CD1-CG1 3.8Å
71	T	98.8	Very high	97.5	Very high	47 Å²	47	48.5 Å²	48.5	29%	0.288	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	125.8	169.9	-59.1	0	0	0	0	108.9	T59 S60 S130 F131	T59-T71 CarbonylContact C-O 3.6Å; T59-T71 WeakPolarHBondContact CA-O 3.36Å; S60-T71 PolarHBondContact N-O 2.64Å; S60-T71 PolarHBondContact OG-N 3.22Å; T71-S130 WeakPolarHBondContact CG2-OG 3.3Å; T71-F131 CarbonylContact C-O 3.53Å; T71-F131 VanDerWaalsContact CA-O 3.31Å; T71-F131 WeakPolarHBondContact CA-O 3.33Å
72	V	98.7	Very high	97.4	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.4	177.3	-174	0	0	0	0	108.1	Q58 I70 L85 W99 F131 W133 F145	Q58-V72 CarbonylContact O-C 3.54Å; Q58-V72 WeakPolarHBondContact O-CA 3.4Å; I70-V72 HydrophobicContact CG2-CG2 4.35Å; V72-L85 HydrophobicContact CG1-CD2 4.45Å; V72-W99 HydrophobicContact CB-CH2 4.16Å; V72-W99 HydrophobicContact CB-CZ3 4.04Å; V72-W99 HydrophobicContact CG1-CH2 4.39Å; V72-W99 HydrophobicContact CG2-CH2 3.97Å; V72-W99 HydrophobicContact CG2-CZ3 3.93Å; V72-F131 PolarHBondContact N-O 3.27Å; V72-F131 PolarHBondContact O-N 2.94Å; V72-W133 HydrophobicContact CG2-CB 4.42Å; V72-F145 HydrophobicContact CG1-CB 4.38Å; V72-F145 HydrophobicContact CG1-CD1 4.35Å; V72-F145 HydrophobicContact CG1-CD2 4.47Å; V72-F145 HydrophobicContact CG1-CG 4.14Å; V72-F145 HydrophobicContact CG2-CD1 3.89Å; V72-F145 HydrophobicContact CG2-CD2 4.07Å; V72-F145 HydrophobicContact CG2-CE1 3.59Å; V72-F145 HydrophobicContact CG2-CE2 3.78Å; V72-F145 HydrophobicContact CG2-CG 4.11Å; V72-F145 HydrophobicContact CG2-CZ 3.54Å
73	T	98.7	Very high	97.4	Very high	32 Å²	32	43.5 Å²	43.5	20%	0.196	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.7	-179.6	-51.4	0	0	0	0	109.8	L57 Q58 R75 L129	L57-T73 WeakPolarHBondContact CA-O 3.25Å; Q58-T73 PolarHBondContact N-O 3.18Å; Q58-T73 PolarHBondContact O-N 2.01Å; T73-R75 HydrophobicContact CG2-CG 3.91Å; T73-L129 CarbonylContact C-O 3.55Å; T73-L129 WeakPolarHBondContact CA-O 3.39Å
74	V	98.6	Very high	97.4	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.9	169.5	-172.9	0	0	0	0	107.4	I55 L57 F80 L85 N128 L129 F131 I147	I55-V74 HydrophobicContact CG2-CG1 3.86Å; L57-V74 HydrophobicContact CD2-CB 4.27Å; L57-V74 HydrophobicContact CD2-CG1 4.36Å; L57-V74 HydrophobicContact CD2-CG2 3.64Å; V74-F80 HydrophobicContact CG1-CZ 4.28Å; V74-L85 HydrophobicContact CG2-CD2 4.41Å; V74-N128 WeakPolarHBondContact O-CA 3.34Å; V74-L129 HydrophobicContact CB-CB 4.26Å; V74-L129 PolarHBondContact N-O 2.88Å; V74-L129 PolarHBondContact O-N 3.35Å; V74-F131 HydrophobicContact CG2-CD2 4.2Å; V74-F131 HydrophobicContact CG2-CE2 3.71Å; V74-I147 HydrophobicContact CB-CD1 4.31Å; V74-I147 HydrophobicContact CG1-CD1 3.61Å; V74-I147 HydrophobicContact CG2-CD1 3.67Å
75	R	98.1	Very high	97.4	Very high	130 Å²	130	40.9 Å²	40.9	49%	0.491	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	142.8	173.3	-63.5	-168	176.2	-166.7	-0.9	110.3	I55 T56 T73 R127	I55-R75 CarbonylContact C-O 3.6Å; I55-R75 WeakPolarHBondContact CA-O 3.38Å; T56-R75 PolarHBondContact N-O 3.24Å; T56-R75 PolarHBondContact O-N 3.17Å; T73-R75 HydrophobicContact CG2-CG 3.91Å; R75-R127 CarbonylContact C-O 3.53Å; R75-R127 WeakPolarHBondContact CA-O 3.17Å
76	S	97.6	Very high	97.4	Very high	14 Å²	14	35.4 Å²	35.4	10%	0.098	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	138.6	175.8	-174.6	0	0	0	0	111.4	F54 I55 R78 R127	F54-S76 VanDerWaalsContact O-CA 3.26Å; F54-S76 WeakPolarHBondContact O-CA 3.26Å; I55-S76 VanDerWaalsContact CD1-CB 3.46Å; I55-S76 VanDerWaalsContact CD1-OG 3.24Å; I55-S76 WeakPolarHBondContact CD1-OG 3.47Å; S76-R78 VanDerWaalsContact C-N 3.27Å; S76-R78 VanDerWaalsContact CB-O 3.23Å; S76-R78 WeakPolarHBondContact CB-O 2.97Å; S76-R78 PolarHBondContact OG-N 2.97Å; S76-R78 VanDerWaalsContact OG-N 3.12Å; S76-R78 PolarHBondContact OG-O 3.11Å; S76-R127 PolarHBondContact N-O 3.27Å
77	S	97.3	Very high	97.4	Very high	87 Å²	87	32.6 Å²	32.6	61%	0.608	17%	0.168	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	-10.1	169.3	62.1	0	0	0	0	113.2	F54	F54-S77 WeakPolarHBondContact CB-OG 3.31Å; F54-S77 WeakPolarHBondContact CD1-OG 3.36Å; F54-S77 PolarHBondContact O-N 3.22Å
78	R	96.8	Very high	97.3	Very high	124 Å²	124	33.2 Å²	33.2	47%	0.468	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	156.8	177.2	-60.2	-168.9	-174.7	-122.5	0.5	112	F54 S76	F54-R78 HydrophobicContact CB-CB 4.41Å; F54-R78 HydrophobicContact CB-CG 4.21Å; F54-R78 HydrophobicContact CD1-CG 4.16Å; F54-R78 HydrophobicContact CD2-CB 4.48Å; F54-R78 VanDerWaalsContact CD2-CD 3.42Å; F54-R78 HydrophobicContact CD2-CG 3.99Å; F54-R78 VanDerWaalsContact CE1-NE 3.27Å; F54-R78 VanDerWaalsContact CE2-CD 3.5Å; F54-R78 HydrophobicContact CE2-CG 4.48Å; F54-R78 HydrophobicContact CG-CB 4.43Å; F54-R78 HydrophobicContact CG-CG 3.82Å; S76-R78 VanDerWaalsContact C-N 3.27Å; S76-R78 VanDerWaalsContact CB-O 3.23Å; S76-R78 WeakPolarHBondContact CB-O 2.97Å; S76-R78 PolarHBondContact OG-N 2.97Å; S76-R78 VanDerWaalsContact OG-N 3.12Å; S76-R78 PolarHBondContact OG-O 3.11Å
79	D	97.4	Very high	97.1	Very high	52 Å²	52	31.4 Å²	31.4	28%	0.278	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	142	173.5	-66.3	-50.9	0	0	0	111.8	L125 K126 R127 Q151	D79-L125 HydrophobicContact CB-CB 4.09Å; D79-L125 HydrophobicContact CB-CD1 4.15Å; D79-L125 HydrophobicContact CB-CD2 4.13Å; D79-L125 HydrophobicContact CB-CG 4.34Å; D79-K126 WeakPolarHBondContact CA-O 3.07Å; D79-R127 VanDerWaalsContact CG-NE 3.33Å; D79-R127 WeakPolarHBondContact OD1-CD 3.47Å; D79-R127 WeakPolarHBondContact OD1-CG 3.29Å; D79-R127 IonicContact OD1-CZ 2.78Å; D79-R127 IonicContact OD1-NE 2.76Å; D79-R127 PolarHBondContact OD1-NE 3.07Å; D79-R127 IonicContact OD1-NH2 3.48Å; D79-R127 IonicContact OD2-CZ 3.55Å; D79-R127 IonicContact OD2-NE 3.24Å; D79-R127 PolarHBondContact OD2-NE 2.86Å; D79-R127 IonicContact OD2-NH2 3.01Å; D79-R127 PolarHBondContact OD2-NH2 3.23Å; D79-Q151 WeakPolarHBondContact O-CG 3.49Å
80	F	96.9	Very high	96.8	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.009	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	152.8	167.6	63.3	-90.1	0	0	0	111	I55 V74 F83 K126 L129 V149 V150	I55-F80 HydrophobicContact CD1-CD1 4.13Å; I55-F80 HydrophobicContact CD1-CE1 4.4Å; V74-F80 HydrophobicContact CG1-CZ 4.28Å; F80-F83 HydrophobicContact CE2-CB 4.13Å; F80-F83 AromaticContact CE2-CD1 3.96Å; F80-F83 HydrophobicContact CE2-CD1 3.96Å; F80-F83 HydrophobicContact CE2-CG 4.37Å; F80-K126 HydrophobicContact CD1-CB 4.45Å; F80-K126 WeakPolarHBondContact CD1-O 3.35Å; F80-K126 HydrophobicContact CD2-CB 3.98Å; F80-K126 HydrophobicContact CE1-CB 4.08Å; F80-K126 WeakPolarHBondContact CE1-O 3.28Å; F80-K126 HydrophobicContact CE2-CB 3.58Å; F80-K126 HydrophobicContact CE2-CD 4.11Å; F80-K126 HydrophobicContact CE2-CG 4.45Å; F80-K126 HydrophobicContact CG-CB 4.4Å; F80-K126 HydrophobicContact CZ-CB 3.63Å; F80-K126 PolarHBondContact N-O 2.97Å; F80-K126 PolarHBondContact O-N 2.91Å; F80-L129 HydrophobicContact CE2-CD1 3.9Å; F80-L129 HydrophobicContact CZ-CD1 3.7Å; F80-L129 HydrophobicContact CZ-CG 4.26Å; F80-V149 HydrophobicContact CB-CG1 3.3Å; F80-V149 HydrophobicContact CD1-CG1 3.95Å; F80-V149 HydrophobicContact CD2-CG1 3.67Å; F80-V149 HydrophobicContact CE2-CG1 4.44Å; F80-V149 HydrophobicContact CG-CG1 3.38Å; F80-V150 WeakPolarHBondContact CB-O 3.23Å
81	M	95.4	Very high	95.9	Very high	26 Å²	26	34.5 Å²	34.5	13%	0.128	20%	0.195	C	C	.	.	S	Bend	trans	-105	-24.7	-174.7	66.5	178.6	-170.2	0	0	113.3	V150 Y153	M81-V150 HydrophobicContact CE-CG1 3.61Å; M81-V150 HydrophobicContact CG-CG1 4.25Å; M81-V150 PolarHBondContact N-O 2.86Å; M81-Y153 HydrophobicContact CE-CD1 4.33Å; M81-Y153 HydrophobicContact CE-CD2 3.84Å; M81-Y153 HydrophobicContact CE-CE1 4.37Å; M81-Y153 HydrophobicContact CE-CE2 3.88Å; M81-Y153 HydrophobicContact CE-CG 4.07Å
82	G	95.5	Very high	94.7	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	154.6	-178.2	0	0	0	0	0	112.6	V150	G82-V150 PolarHBondContact N-O 2.83Å; G82-V150 VanDerWaalsContact N-O 3.16Å; G82-V150 PolarHBondContact O-N 3.48Å
83	F	97.3	Very high	93.9	Very high	5 Å²	5	41.3 Å²	41.3	2%	0.022	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	163.2	174.5	69.5	-87.3	0	0	0	111.8	F80 L85 T106 V118 T119 H120 K126 L129 F131 I147 T148 V149	F80-F83 HydrophobicContact CE2-CB 4.13Å; F80-F83 AromaticContact CE2-CD1 3.96Å; F80-F83 HydrophobicContact CE2-CD1 3.96Å; F80-F83 HydrophobicContact CE2-CG 4.37Å; F83-L85 HydrophobicContact CD2-CB 4.33Å; F83-T106 HydrophobicContact CE1-CG2 4.02Å; F83-T106 HydrophobicContact CZ-CG2 3.59Å; F83-V118 HydrophobicContact CE2-CG1 4.34Å; F83-V118 HydrophobicContact CE2-CG2 4.42Å; F83-T119 VanDerWaalsContact CZ-C 3.47Å; F83-T119 WeakPolarHBondContact O-CA 3.5Å; F83-T119 WeakPolarHBondContact O-CB 3.43Å; F83-T119 PolarHBondContact O-OG1 3.47Å; F83-H120 HydrophobicContact CD1-CB 3.93Å; F83-H120 HydrophobicContact CE1-CB 3.71Å; F83-H120 HydrophobicContact CZ-CB 4.49Å; F83-H120 PolarHBondContact N-ND1 2.83Å; F83-H120 PolarHBondContact O-ND1 2.87Å; F83-K126 HydrophobicContact CD1-CD 4.12Å; F83-K126 HydrophobicContact CE1-CD 4.02Å; F83-L129 HydrophobicContact CD1-CD1 3.93Å; F83-L129 HydrophobicContact CE1-CD1 3.71Å; F83-L129 HydrophobicContact CZ-CD1 4.2Å; F83-F131 HydrophobicContact CE2-CE1 4.06Å; F83-F131 AromaticContact CE2-CZ 3.66Å; F83-F131 HydrophobicContact CE2-CZ 3.66Å; F83-F131 HydrophobicContact CZ-CE1 4.01Å; F83-F131 AromaticContact CZ-CZ 3.66Å; F83-F131 HydrophobicContact CZ-CZ 3.66Å; F83-I147 HydrophobicContact CB-CD1 4.22Å; F83-I147 HydrophobicContact CB-CG1 4.4Å; F83-T148 CarbonylContact C-O 3.54Å; F83-T148 WeakPolarHBondContact CA-O 3.5Å; F83-T148 WeakPolarHBondContact CB-O 3.29Å; F83-V149 HydrophobicContact CB-CG2 4.44Å
84	L	97.3	Very high	92.9	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	121.6	167.7	-173.3	68	0	0	0	108.7	A30 S34 M38 L109 T117 I147 T148	A30-L84 HydrophobicContact CB-CD1 3.73Å; A30-L84 HydrophobicContact CB-CD2 4.47Å; A30-L84 HydrophobicContact CB-CG 4.48Å; S34-L84 WeakPolarHBondContact O-CD2 3.32Å; M38-L84 WeakPolarHBondContact CE-O 3.15Å; L84-L109 HydrophobicContact CD1-CD1 4.16Å; L84-T117 HydrophobicContact CD1-CG2 3.3Å; L84-T117 HydrophobicContact CG-CG2 4.01Å; L84-I147 CarbonylContact O-C 3.55Å; L84-I147 VanDerWaalsContact O-CA 3.31Å; L84-I147 WeakPolarHBondContact O-CA 3.26Å; L84-I147 WeakPolarHBondContact O-CG1 3.5Å; L84-T148 PolarHBondContact N-O 3.01Å; L84-T148 PolarHBondContact O-N 3.12Å
85	L	97.8	Very high	91.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132.8	-174.8	176.3	71	0	0	0	110.7	L57 V72 V74 F83 W99 V118 F131 F145 H146 I147	L57-L85 HydrophobicContact CD1-CD1 4.36Å; L57-L85 HydrophobicContact CD2-CD1 4.12Å; V72-L85 HydrophobicContact CG1-CD2 4.45Å; V74-L85 HydrophobicContact CG2-CD2 4.41Å; F83-L85 HydrophobicContact CD2-CB 4.33Å; L85-W99 HydrophobicContact CD1-CH2 4.44Å; L85-W99 HydrophobicContact CD2-CH2 3.4Å; L85-W99 HydrophobicContact CD2-CZ2 3.74Å; L85-W99 HydrophobicContact CD2-CZ3 3.93Å; L85-W99 HydrophobicContact CG-CH2 3.7Å; L85-W99 HydrophobicContact CG-CZ2 3.58Å; L85-V118 HydrophobicContact CB-CG1 3.75Å; L85-V118 HydrophobicContact CD2-CG1 3.9Å; L85-V118 HydrophobicContact CG-CG1 4.16Å; L85-V118 PolarHBondContact N-O 3.22Å; L85-V118 PolarHBondContact O-N 2.78Å; L85-F131 HydrophobicContact CD2-CD2 3.66Å; L85-F131 HydrophobicContact CD2-CE2 3.88Å; L85-F131 HydrophobicContact CD2-CG 4.03Å; L85-F131 HydrophobicContact CD2-CZ 4.42Å; L85-F145 HydrophobicContact CD1-CB 4.42Å; L85-H146 WeakPolarHBondContact CA-O 3.45Å; L85-H146 WeakPolarHBondContact CD1-O 3.47Å; L85-I147 HydrophobicContact CB-CG1 4.3Å; L85-I147 HydrophobicContact CD1-CB 3.93Å; L85-I147 HydrophobicContact CD1-CD1 4.4Å; L85-I147 HydrophobicContact CD1-CG1 4.28Å
86	Q	96.4	Very high	91	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	152.8	-176.7	-71.1	-177.2	-23.8	0	0	111.7	C35 M38 R88 T117 F145 H146	C35-Q86 PolarHBondContact O-NE2 3.24Å; C35-Q86 PolarHBondContact O-OE1 3.15Å; M38-Q86 HydrophobicContact CE-CB 4.35Å; M38-Q86 HydrophobicContact CE-CG 4.36Å; Q86-R88 HydrophobicContact CB-CG 4.5Å; Q86-R88 VanDerWaalsContact OE1-NE 3.11Å; Q86-T117 HydrophobicContact CG-CG2 3.69Å; Q86-T117 WeakPolarHBondContact CG-OG1 3.42Å; Q86-T117 PolarHBondContact NE2-OG1 2.61Å; Q86-F145 CarbonylContact O-C 3.57Å; Q86-F145 WeakPolarHBondContact O-CA 3.23Å; Q86-H146 PolarHBondContact N-O 2.83Å; Q86-H146 PolarHBondContact O-N 3.3Å
87	A	96.1	Very high	90.8	Very high	3 Å²	3	36.7 Å²	36.7	3%	0.025	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132	162.1	0	0	0	0	0	109.6	V95 W133 I143 F145	A87-V95 VanDerWaalsContact C-CG2 3.49Å; A87-V95 HydrophobicContact CB-CG2 3.62Å; A87-V95 WeakPolarHBondContact O-CG2 3.37Å; A87-V95 PolarHBondContact O-N 3.07Å; A87-W133 HydrophobicContact CB-CZ2 3.97Å; A87-I143 HydrophobicContact CB-CD1 4.44Å; A87-F145 HydrophobicContact CB-CD1 3.99Å; A87-F145 HydrophobicContact CB-CE1 3.82Å
88	R	95.1	Very high	90.8	Very high	31 Å²	31	34.1 Å²	34.1	12%	0.117	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147	177.9	-60.9	-175.1	175.1	-152.6	-6.9	110	C35 Q36 M38 Q86 Q93 R94 I143 R144	C35-R88 PolarHBondContact O-NH2 2.94Å; C35-R88 VanDerWaalsContact O-NH2 3.14Å; Q36-R88 PolarHBondContact O-NH1 2.89Å; Q36-R88 PolarHBondContact O-NH2 2.78Å; M38-R88 VanDerWaalsContact SD-CZ 3.52Å; M38-R88 PolarHBondContact SD-NH2 3.43Å; Q86-R88 HydrophobicContact CB-CG 4.5Å; Q86-R88 VanDerWaalsContact OE1-NE 3.11Å; R88-Q93 CarbonylContact C-O 3.57Å; R88-Q93 VanDerWaalsContact CA-O 3.26Å; R88-Q93 WeakPolarHBondContact CA-O 3.21Å; R88-R94 HydrophobicContact CG-CG 4.29Å; R88-I143 CarbonylContact O-C 3.48Å; R88-I143 WeakPolarHBondContact O-CA 3.24Å; R88-I143 WeakPolarHBondContact O-CB 3.42Å; R88-R144 PolarHBondContact N-O 3.49Å; R88-R144 PolarHBondContact O-N 3.05Å; R88-R144 VanDerWaalsContact O-O 3.14Å
89	S	93.3	Very high	90.8	Very high	23 Å²	23	28.9 Å²	28.9	16%	0.161	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	153.5	171.3	62.8	0	0	0	0	110.8	G91 G92 Q93 D142	S89-G91 VanDerWaalsContact C-N 3.31Å; S89-G91 PolarHBondContact O-N 3.32Å; S89-G92 PolarHBondContact O-N 2.68Å; S89-Q93 PolarHBondContact N-O 3.3Å; S89-Q93 PolarHBondContact OG-N 3.26Å; S89-Q93 PolarHBondContact OG-O 2.9Å; S89-D142 CarbonylContact C-O 3.53Å; S89-D142 WeakPolarHBondContact CA-O 3.33Å
90	V	90.6	Very high	90.8	Very high	67 Å²	67	30.1 Å²	30.1	41%	0.406	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	94.8	166.1	178.6	0	0	0	0	107.2	D142 R144 V164	V90-D142 HydrophobicContact CB-CB 4.2Å; V90-D142 HydrophobicContact CG2-CB 3.69Å; V90-D142 PolarHBondContact N-O 3.22Å; V90-R144 HydrophobicContact CG2-CG 4.31Å; V90-V164 HydrophobicContact CG2-CG1 4.06Å; V90-V164 HydrophobicContact CG2-CG2 4.21Å
91	G	80.9	Confident	90.9	Very high	75 Å²	75	37 Å²	37	77%	0.773	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	140.9	-11.7	-164.4	0	0	0	0	0	112.9	S89	S89-G91 VanDerWaalsContact C-N 3.31Å; S89-G91 PolarHBondContact O-N 3.32Å
92	G	73.4	Confident	91	Very high	40 Å²	40	38.3 Å²	38.3	41%	0.412	23%	0.227	S	C	.	.	S	Bend	trans	93.4	-1.3	164.5	0	0	0	0	0	115.4	S89	S89-G92 PolarHBondContact O-N 2.68Å
93	Q	81.1	Confident	91.1	Very high	150 Å²	150	39.6 Å²	39.6	70%	0.701	24%	0.235	S	C	*	.			trans	-83.6	142.7	175.9	-65.2	-172.2	-15.5	0	0	110.6	R88 S89	R88-Q93 CarbonylContact C-O 3.57Å; R88-Q93 VanDerWaalsContact CA-O 3.26Å; R88-Q93 WeakPolarHBondContact CA-O 3.21Å; S89-Q93 PolarHBondContact N-O 3.3Å; S89-Q93 PolarHBondContact OG-N 3.26Å; S89-Q93 PolarHBondContact OG-O 2.9Å
94	R	79	Confident	91	Very high	41 Å²	41	45.5 Å²	45.5	16%	0.155	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-67	144.1	175.4	-70	-172.2	-146	98.5	-4.7	110.8	C35 R88 L112	C35-R94 PolarHBondContact O-NE 2.95Å; C35-R94 VanDerWaalsContact O-NE 3.17Å; C35-R94 PolarHBondContact O-NH2 3.34Å; R88-R94 HydrophobicContact CG-CG 4.29Å; R94-L112 HydrophobicContact CB-CD1 3.81Å; R94-L112 HydrophobicContact CG-CD1 4.45Å; R94-L112 VanDerWaalsContact NH1-CD1 3.33Å
95	V	76.9	Confident	90.9	Very high	10 Å²	10	46 Å²	46	6%	0.061	28%	0.28	C	S	.	.			trans	-106.6	144.9	177.8	-78.5	0	0	0	0	111.4	A87 G97 W133 K140 I143	A87-V95 VanDerWaalsContact C-CG2 3.49Å; A87-V95 HydrophobicContact CB-CG2 3.62Å; A87-V95 WeakPolarHBondContact O-CG2 3.37Å; A87-V95 PolarHBondContact O-N 3.07Å; V95-G97 PolarHBondContact O-N 2.9Å; V95-W133 HydrophobicContact CG2-CZ2 4.46Å; V95-K140 HydrophobicContact CG1-CB 3.9Å; V95-I143 HydrophobicContact CB-CG2 4.45Å; V95-I143 HydrophobicContact CG1-CG2 3.99Å; V95-I143 HydrophobicContact CG2-CG2 3.92Å
96	G	79.9	Confident	90.8	Very high	26 Å²	26	46.9 Å²	46.9	27%	0.268	29%	0.286	S	S	.	.	S	Bend	trans	-78.2	37.3	-171.9	0	0	0	0	0	116.6
97	G	92.3	Very high	90.8	Very high	3 Å²	3	49.7 Å²	49.7	3%	0.031	30%	0.299	C	S	.	.			trans	-86.5	176.4	170.2	0	0	0	0	0	111.4	V95 R134	V95-G97 PolarHBondContact O-N 2.9Å; G97-R134 VanDerWaalsContact CA-O 3.28Å; G97-R134 WeakPolarHBondContact CA-O 3.43Å
98	S	96.7	Very high	90.8	Very high	32 Å²	32	52.6 Å²	52.6	22%	0.224	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	144	-176.2	61.9	0	0	0	0	114.2	I100 G115 W133 R134	S98-I100 PolarHBondContact O-N 2.99Å; S98-G115 CarbonylContact C-O 3.6Å; S98-G115 WeakPolarHBondContact CA-O 3.45Å; S98-W133 CarbonylContact O-C 3.46Å; S98-W133 WeakPolarHBondContact O-CA 3.45Å; S98-R134 PolarHBondContact N-O 2.83Å; S98-R134 PolarHBondContact O-N 3.33Å
99	W	97.9	Very high	90.8	Very high	15 Å²	15	52.1 Å²	52.1	6%	0.057	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	112.5	171.3	-60.2	103.9	0	0	0	109.6	V72 L85 T108 G115 D116 V118 F131 W133 F145	V72-W99 HydrophobicContact CB-CH2 4.16Å; V72-W99 HydrophobicContact CB-CZ3 4.04Å; V72-W99 HydrophobicContact CG1-CH2 4.39Å; V72-W99 HydrophobicContact CG2-CH2 3.97Å; V72-W99 HydrophobicContact CG2-CZ3 3.93Å; L85-W99 HydrophobicContact CD1-CH2 4.44Å; L85-W99 HydrophobicContact CD2-CH2 3.4Å; L85-W99 HydrophobicContact CD2-CZ2 3.74Å; L85-W99 HydrophobicContact CD2-CZ3 3.93Å; L85-W99 HydrophobicContact CG-CH2 3.7Å; L85-W99 HydrophobicContact CG-CZ2 3.58Å; W99-T108 HydrophobicContact CB-CG2 3.95Å; W99-G115 PolarHBondContact N-O 2.89Å; W99-D116 PolarHBondContact NE1-O 3.46Å; W99-V118 HydrophobicContact CB-CB 4.46Å; W99-V118 HydrophobicContact CD2-CB 4.35Å; W99-V118 HydrophobicContact CD2-CG1 3.79Å; W99-V118 HydrophobicContact CE3-CG1 4.38Å; W99-V118 HydrophobicContact CG-CB 3.96Å; W99-V118 HydrophobicContact CG-CG1 3.94Å; W99-V118 HydrophobicContact CZ2-CG1 4.34Å; W99-F131 HydrophobicContact CE3-CB 3.63Å; W99-F131 HydrophobicContact CE3-CG 4.4Å; W99-F131 HydrophobicContact CZ3-CB 3.48Å; W99-F131 VanDerWaalsContact CZ3-CB 3.48Å; W99-F131 HydrophobicContact CZ3-CG 4.28Å; W99-W133 HydrophobicContact CE3-CB 3.83Å; W99-W133 HydrophobicContact CH2-CB 4.18Å; W99-W133 HydrophobicContact CZ3-CB 3.67Å; W99-W133 HydrophobicContact CZ3-CG 4.42Å; W99-F145 AromaticContact CH2-CD1 3.66Å; W99-F145 HydrophobicContact CH2-CD1 3.66Å; W99-F145 AromaticContact CH2-CE1 3.72Å; W99-F145 HydrophobicContact CH2-CE1 3.72Å; W99-F145 HydrophobicContact CZ2-CD1 4.02Å; W99-F145 HydrophobicContact CZ2-CE1 4.18Å
100	I	97.6	Very high	90.8	Very high	78 Å²	78	58.4 Å²	58.4	40%	0.4	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-21.1	-175.3	61.9	156.3	0	0	0	113.6	L69 S98 V132 R134	L69-I100 HydrophobicContact CD1-CD1 3.91Å; L69-I100 HydrophobicContact CD2-CD1 3.48Å; L69-I100 VanDerWaalsContact CD2-CD1 3.48Å; L69-I100 HydrophobicContact CD2-CG1 4.39Å; L69-I100 HydrophobicContact CG-CD1 4.31Å; S98-I100 PolarHBondContact O-N 2.99Å; I100-V132 HydrophobicContact CD1-CG1 3.88Å; I100-V132 HydrophobicContact CG1-CB 4.06Å; I100-V132 HydrophobicContact CG1-CG1 3.79Å; I100-V132 WeakPolarHBondContact CG1-O 3.1Å; I100-V132 PolarHBondContact N-O 2.91Å; I100-R134 HydrophobicContact CG2-CB 3.86Å
101	R	97.9	Very high	90.9	Very high	147 Å²	147	56.4 Å²	56.4	56%	0.555	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.1	134.4	174.1	-61.3	-176.9	-74.4	-142.1	-0.1	109.7	F131 V132	R101-F131 CarbonylContact O-C 3.46Å; R101-F131 WeakPolarHBondContact O-CA 3.33Å; R101-V132 HydrophobicContact CB-CB 3.96Å; R101-V132 HydrophobicContact CB-CG2 4.03Å; R101-V132 PolarHBondContact N-O 3.12Å; R101-V132 PolarHBondContact O-N 3.15Å
102	S	97.5	Very high	91.3	Very high	52 Å²	52	57.2 Å²	57.2	36%	0.364	31%	0.311	S	S	.	.			trans	-143.7	156.6	-180	62	0	0	0	0	110.2	T106	S102-T106 WeakPolarHBondContact CB-OG1 3.35Å; S102-T106 PolarHBondContact OG-OG1 2.89Å
103	P	97.1	Very high	92.2	Very high	28 Å²	28	60.2 Å²	60.2	18%	0.182	31%	0.313	C	S	.	.			trans	-70.7	163.2	179.8	27.5	-28.4	0	0	0	111	T106 L129 S130 F131	P103-T106 HydrophobicContact CG-CG2 3.83Å; P103-T106 WeakPolarHBondContact O-CB 3.36Å; P103-T106 WeakPolarHBondContact O-CG2 3.29Å; P103-T106 PolarHBondContact O-OG1 2.83Å; P103-L129 HydrophobicContact CB-CD2 4.48Å; P103-L129 HydrophobicContact CG-CB 4.24Å; P103-L129 HydrophobicContact CG-CD2 3.85Å; P103-S130 WeakPolarHBondContact CD-O 3.22Å; P103-F131 VanDerWaalsContact CD-CE1 3.45Å; P103-F131 HydrophobicContact CG-CE1 4.11Å; P103-F131 HydrophobicContact CG-CZ 4.22Å
104	P	95.8	Very high	92.8	Very high	129 Å²	129	58.7 Å²	58.7	84%	0.838	31%	0.306	S	S	*	.	S	Bend	trans	-54.5	153.6	171.1	-23.6	34.1	0	0	0	112	T106	P104-T106 VanDerWaalsContact C-N 3.31Å
105	G	94.9	Very high	93.5	Very high	15 Å²	15	57.1 Å²	57.1	16%	0.155	30%	0.302	C	S	.	.	S	Bend	trans	73.9	24.6	-176.9	0	0	0	0	0	113.4	H120 S121 D122	G105-H120 CarbonylContact O-C 3.05Å; G105-H120 WeakPolarHBondContact O-CA 3.37Å; G105-S121 VanDerWaalsContact CA-OG 3.29Å; G105-S121 WeakPolarHBondContact CA-OG 3.43Å; G105-S121 PolarHBondContact O-N 3.37Å; G105-S121 PolarHBondContact O-OG 3.03Å; G105-D122 WeakPolarHBondContact CA-OD2 3.24Å
106	T	97.2	Very high	94.4	Very high	19 Å²	19	56.9 Å²	56.9	12%	0.117	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	159	175.6	73.4	0	0	0	0	111.3	F83 S102 P103 P104 T119 S121 F131	F83-T106 HydrophobicContact CE1-CG2 4.02Å; F83-T106 HydrophobicContact CZ-CG2 3.59Å; S102-T106 WeakPolarHBondContact CB-OG1 3.35Å; S102-T106 PolarHBondContact OG-OG1 2.89Å; P103-T106 HydrophobicContact CG-CG2 3.83Å; P103-T106 WeakPolarHBondContact O-CB 3.36Å; P103-T106 WeakPolarHBondContact O-CG2 3.29Å; P103-T106 PolarHBondContact O-OG1 2.83Å; P104-T106 VanDerWaalsContact C-N 3.31Å; T106-T119 CarbonylContact C-O 3.5Å; T106-T119 VanDerWaalsContact CA-O 3.23Å; T106-T119 WeakPolarHBondContact CA-O 3.36Å; T106-T119 WeakPolarHBondContact CB-O 3.37Å; T106-S121 PolarHBondContact N-OG 2.88Å; T106-S121 VanDerWaalsContact N-OG 3.17Å; T106-F131 HydrophobicContact CG2-CE1 4.23Å
107	H	96.3	Very high	95.2	Very high	59 Å²	59	55.7 Å²	55.7	27%	0.273	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	161.7	169.3	67.7	-76.3	0	0	0	110.2	H28 V118 T119 H120	H28-H107 PolarHBondContact O-CE1 2.76Å; H28-H107 PolarHBondContact O-NE2 3.31Å; H107-V118 WeakPolarHBondContact O-CG2 3.12Å; H107-T119 WeakPolarHBondContact CE1-CG2 3.31Å; H107-T119 PolarHBondContact N-O 2.83Å; H107-T119 WeakPolarHBondContact NE2-CG2 3.22Å; H107-T119 PolarHBondContact O-N 2.9Å; H107-H120 PolarHBondContact CE1-O 3.16Å; H107-H120 VanDerWaalsContact CE1-O 3.25Å; H107-H120 PolarHBondContact ND1-O 3.34Å
108	T	96.1	Very high	95.4	Very high	65 Å²	65	55.5 Å²	55.5	40%	0.399	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	152.6	177.2	54.5	0	0	0	0	111.7	W99 T117	W99-T108 HydrophobicContact CB-CG2 3.95Å; T108-T117 CarbonylContact C-O 3.54Å; T108-T117 WeakPolarHBondContact CA-O 3.24Å
109	L	94.3	Very high	95.5	Very high	21 Å²	21	54 Å²	54	11%	0.11	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	151.9	169.4	-56.9	175.3	0	0	0	108.8	A30 L84 T117 T119	A30-L109 HydrophobicContact CB-CD1 4.47Å; L84-L109 HydrophobicContact CD1-CD1 4.16Å; L109-T117 HydrophobicContact CB-CG2 4.38Å; L109-T117 HydrophobicContact CD1-CG2 4.25Å; L109-T117 PolarHBondContact N-O 2.91Å; L109-T119 HydrophobicContact CD1-CG2 3.91Å; L109-T119 HydrophobicContact CD2-CG2 4.24Å; L109-T119 HydrophobicContact CG-CG2 3.91Å
110	R	93.9	Very high	95.4	Very high	154 Å²	154	53.9 Å²	53.9	58%	0.581	28%	0.276	S	S	*	.			trans	-99.1	86.8	166.8	-176.6	-159.2	-176.2	147.2	3.7	108.4	L32 F113 E114	L32-R110 WeakPolarHBondContact CD2-O 3.31Å; R110-F113 WeakPolarHBondContact CA-O 3.45Å; R110-E114 WeakPolarHBondContact CD-OE1 3.47Å; R110-E114 IonicContact CZ-OE1 2.71Å; R110-E114 IonicContact NE-OE1 3.88Å; R110-E114 PolarHBondContact NE-OE1 2.82Å; R110-E114 IonicContact NH1-OE1 3.99Å; R110-E114 PolarHBondContact NH1-OE1 3.35Å; R110-E114 IonicContact NH2-OE1 3.11Å
111	C	91.3	Very high	95.3	Very high	26 Å²	26	52.3 Å²	52.3	18%	0.176	27%	0.272	C	S	.	.	S	Bend	trans	-79	-48.5	178.4	-64.2	0	0	0	0	111.5	C35 D116 T117	C35-C111 HydrophobicContact CB-CB 3.48Å; C35-C111 VanDerWaalsContact CB-CB 3.48Å; C35-C111 WeakPolarHBondContact CB-SG 3.49Å; C35-C111 WeakPolarHBondContact SG-CB 3.4Å; C35-C111 CovalentContact SG-SG 2.01Å; C35-C111 PolarHBondContact SG-SG 2.84Å; C111-D116 VanDerWaalsContact CB-OD1 3.29Å; C111-D116 WeakPolarHBondContact CB-OD1 3.46Å; C111-D116 PolarHBondContact N-OD1 3.47Å; C111-T117 WeakPolarHBondContact SG-CB 3.49Å; C111-T117 PolarHBondContact SG-OG1 2.78Å
112	L	91.1	Very high	95.1	Very high	91 Å²	91	47.5 Å²	47.5	48%	0.476	26%	0.257	S	S	.	.	S	Bend	trans	-126.2	-47.4	169.2	-63.4	177.3	0	0	0	110.5	R94 D116	R94-L112 HydrophobicContact CB-CD1 3.81Å; R94-L112 HydrophobicContact CG-CD1 4.45Å; R94-L112 VanDerWaalsContact NH1-CD1 3.33Å; L112-D116 WeakPolarHBondContact CA-OD2 3.4Å; L112-D116 PolarHBondContact N-OD2 3.49Å
113	F	92.1	Very high	94.8	Very high	103 Å²	103	49.3 Å²	49.3	45%	0.452	26%	0.259	S	S	.	.	S	Bend	trans	-115.9	158.2	179.6	-51.8	-81.9	0	0	0	110.4	R110 G115 D116	R110-F113 WeakPolarHBondContact CA-O 3.45Å; F113-G115 PolarHBondContact O-N 3.45Å; F113-D116 HydrophobicContact CB-CB 4.17Å; F113-D116 PolarHBondContact N-OD2 3.31Å; F113-D116 VanDerWaalsContact O-CG 3.25Å; F113-D116 PolarHBondContact O-N 3.46Å
114	E	93	Very high	94.7	Very high	118 Å²	118	54.5 Å²	54.5	55%	0.551	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	123.4	177.3	-69.1	-62.6	164.5	0	0	110.6	R110 D116	R110-E114 WeakPolarHBondContact CD-OE1 3.47Å; R110-E114 IonicContact CZ-OE1 2.71Å; R110-E114 IonicContact NE-OE1 3.88Å; R110-E114 PolarHBondContact NE-OE1 2.82Å; R110-E114 IonicContact NH1-OE1 3.99Å; R110-E114 PolarHBondContact NH1-OE1 3.35Å; R110-E114 IonicContact NH2-OE1 3.11Å; E114-D116 VanDerWaalsContact C-N 3.28Å; E114-D116 PolarHBondContact O-N 2.93Å
115	G	94.8	Very high	94.7	Very high	8 Å²	8	54 Å²	54	8%	0.082	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	22.1	177.7	0	0	0	0	0	115.2	S98 W99 F113 T117	S98-G115 CarbonylContact C-O 3.6Å; S98-G115 WeakPolarHBondContact CA-O 3.45Å; W99-G115 PolarHBondContact N-O 2.89Å; F113-G115 PolarHBondContact O-N 3.45Å; G115-T117 PolarHBondContact O-N 2.86Å
116	D	95.2	Very high	94.8	Very high	6 Å²	6	54 Å²	54	3%	0.032	27%	0.266	C	S	.	.			trans	-72.4	-15.3	-179.8	69.6	2	0	0	0	114	W99 C111 L112 F113 E114	W99-D116 PolarHBondContact NE1-O 3.46Å; C111-D116 VanDerWaalsContact CB-OD1 3.29Å; C111-D116 WeakPolarHBondContact CB-OD1 3.46Å; C111-D116 PolarHBondContact N-OD1 3.47Å; L112-D116 WeakPolarHBondContact CA-OD2 3.4Å; L112-D116 PolarHBondContact N-OD2 3.49Å; F113-D116 HydrophobicContact CB-CB 4.17Å; F113-D116 PolarHBondContact N-OD2 3.31Å; F113-D116 VanDerWaalsContact O-CG 3.25Å; F113-D116 PolarHBondContact O-N 3.46Å; E114-D116 VanDerWaalsContact C-N 3.28Å; E114-D116 PolarHBondContact O-N 2.93Å
117	T	96.2	Very high	94.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.2	-173.5	-57.8	0	0	0	0	110	L84 Q86 T108 L109 C111 G115	L84-T117 HydrophobicContact CD1-CG2 3.3Å; L84-T117 HydrophobicContact CG-CG2 4.01Å; Q86-T117 HydrophobicContact CG-CG2 3.69Å; Q86-T117 WeakPolarHBondContact CG-OG1 3.42Å; Q86-T117 PolarHBondContact NE2-OG1 2.61Å; T108-T117 CarbonylContact C-O 3.54Å; T108-T117 WeakPolarHBondContact CA-O 3.24Å; L109-T117 HydrophobicContact CB-CG2 4.38Å; L109-T117 HydrophobicContact CD1-CG2 4.25Å; L109-T117 PolarHBondContact N-O 2.91Å; C111-T117 WeakPolarHBondContact SG-CB 3.49Å; C111-T117 PolarHBondContact SG-OG1 2.78Å; G115-T117 PolarHBondContact O-N 2.86Å
118	V	97.2	Very high	94.8	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	139.3	175.7	63.5	0	0	0	0	110.9	F83 L85 W99 H107 F131	F83-V118 HydrophobicContact CE2-CG1 4.34Å; F83-V118 HydrophobicContact CE2-CG2 4.42Å; L85-V118 HydrophobicContact CB-CG1 3.75Å; L85-V118 HydrophobicContact CD2-CG1 3.9Å; L85-V118 HydrophobicContact CG-CG1 4.16Å; L85-V118 PolarHBondContact N-O 3.22Å; L85-V118 PolarHBondContact O-N 2.78Å; W99-V118 HydrophobicContact CB-CB 4.46Å; W99-V118 HydrophobicContact CD2-CB 4.35Å; W99-V118 HydrophobicContact CD2-CG1 3.79Å; W99-V118 HydrophobicContact CE3-CG1 4.38Å; W99-V118 HydrophobicContact CG-CB 3.96Å; W99-V118 HydrophobicContact CG-CG1 3.94Å; W99-V118 HydrophobicContact CZ2-CG1 4.34Å; H107-V118 WeakPolarHBondContact O-CG2 3.12Å; V118-F131 HydrophobicContact CG1-CD1 3.93Å; V118-F131 HydrophobicContact CG1-CE1 3.9Å; V118-F131 HydrophobicContact CG2-CD1 4.12Å; V118-F131 HydrophobicContact CG2-CE1 3.78Å
119	T	97.6	Very high	94.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	163.5	179.1	172.8	0	0	0	0	110.5	A30 F83 T106 H107 L109	A30-T119 HydrophobicContact CB-CG2 4.5Å; A30-T119 PolarHBondContact N-OG1 2.89Å; F83-T119 VanDerWaalsContact CZ-C 3.47Å; F83-T119 WeakPolarHBondContact O-CA 3.5Å; F83-T119 WeakPolarHBondContact O-CB 3.43Å; F83-T119 PolarHBondContact O-OG1 3.47Å; T106-T119 CarbonylContact C-O 3.5Å; T106-T119 VanDerWaalsContact CA-O 3.23Å; T106-T119 WeakPolarHBondContact CA-O 3.36Å; T106-T119 WeakPolarHBondContact CB-O 3.37Å; H107-T119 WeakPolarHBondContact CE1-CG2 3.31Å; H107-T119 PolarHBondContact N-O 2.83Å; H107-T119 WeakPolarHBondContact NE2-CG2 3.22Å; H107-T119 PolarHBondContact O-N 2.9Å; L109-T119 HydrophobicContact CD1-CG2 3.91Å; L109-T119 HydrophobicContact CD2-CG2 4.24Å; L109-T119 HydrophobicContact CG-CG2 3.91Å
120	H	96.3	Very high	95.1	Very high	13 Å²	13	60.9 Å²	60.9	6%	0.06	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	151.6	166.9	67.3	-64.7	0	0	0	112.7	S27 G29 F83 G105 H107 D122	S27-H120 PolarHBondContact OG-NE2 3.4Å; G29-H120 WeakPolarHBondContact CA-O 3.44Å; F83-H120 HydrophobicContact CD1-CB 3.93Å; F83-H120 HydrophobicContact CE1-CB 3.71Å; F83-H120 HydrophobicContact CZ-CB 4.49Å; F83-H120 PolarHBondContact N-ND1 2.83Å; F83-H120 PolarHBondContact O-ND1 2.87Å; G105-H120 CarbonylContact O-C 3.05Å; G105-H120 WeakPolarHBondContact O-CA 3.37Å; H107-H120 PolarHBondContact CE1-O 3.16Å; H107-H120 VanDerWaalsContact CE1-O 3.25Å; H107-H120 PolarHBondContact ND1-O 3.34Å; H120-D122 PolarHBondContact CD2-O 2.9Å
121	S	95.9	Very high	95.4	Very high	44 Å²	44	53.5 Å²	53.5	31%	0.308	27%	0.27	S	S	.	.	S	Bend	trans	-116.9	5.2	168.6	56	0	0	0	0	113.2	S27 G105 T106	S27-S121 CarbonylContact O-C 3.56Å; G105-S121 VanDerWaalsContact CA-OG 3.29Å; G105-S121 WeakPolarHBondContact CA-OG 3.43Å; G105-S121 PolarHBondContact O-N 3.37Å; G105-S121 PolarHBondContact O-OG 3.03Å; T106-S121 PolarHBondContact N-OG 2.88Å; T106-S121 VanDerWaalsContact N-OG 3.17Å
122	D	93.6	Very high	95.7	Very high	46 Å²	46	52.9 Å²	52.9	25%	0.246	27%	0.265	C	S	.	.	S	Bend	trans	-151.9	166.3	175.7	63.5	48.1	0	0	0	111.4	G105 H120 Q124 K126	G105-D122 WeakPolarHBondContact CA-OD2 3.24Å; H120-D122 PolarHBondContact CD2-O 2.9Å; D122-Q124 VanDerWaalsContact C-N 3.33Å; D122-Q124 HydrophobicContact CB-CG 4.36Å; D122-Q124 VanDerWaalsContact OD1-CB 3.26Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.21Å; D122-Q124 WeakPolarHBondContact OD1-CG 3.47Å; D122-Q124 PolarHBondContact OD1-N 3.25Å; D122-K126 PolarHBondContact O-NZ 3.03Å; D122-K126 IonicContact OD1-NZ 2.68Å; D122-K126 PolarHBondContact OD1-NZ 2.96Å
123	K	91.3	Very high	96.1	Very high	90 Å²	90	48.6 Å²	48.6	39%	0.391	24%	0.243	S	C	.	.			trans	-91.7	13.7	177	-51.1	-174.2	177.6	157.2	0	113.3	S27 L125 Y153	S27-K123 VanDerWaalsContact CB-CG 3.48Å; S27-K123 WeakPolarHBondContact OG-CE 3.43Å; K123-L125 PolarHBondContact O-N 3.11Å; K123-Y153 VanDerWaalsContact CE-OH 3.31Å; K123-Y153 WeakPolarHBondContact CE-OH 3.12Å; K123-Y153 PolarHBondContact NZ-OH 2.96Å
124	Q	94.5	Very high	96.4	Very high	137 Å²	137	47.7 Å²	47.7	64%	0.64	24%	0.236	S	C	*	.			trans	-59.5	141.4	178.2	-63.4	-60.2	-26.8	0	0	109.3	D122 K126	D122-Q124 VanDerWaalsContact C-N 3.33Å; D122-Q124 HydrophobicContact CB-CG 4.36Å; D122-Q124 VanDerWaalsContact OD1-CB 3.26Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.21Å; D122-Q124 WeakPolarHBondContact OD1-CG 3.47Å; D122-Q124 PolarHBondContact OD1-N 3.25Å; Q124-K126 WeakPolarHBondContact O-CG 3.18Å; Q124-K126 PolarHBondContact O-NZ 2.83Å
125	L	96.5	Very high	96.6	Very high	118 Å²	118	42.1 Å²	42.1	62%	0.618	21%	0.21	S	C	*	.			trans	-68.5	136.2	-178	-62.4	-179.3	0	0	0	110.3	D79 K123	D79-L125 HydrophobicContact CB-CB 4.09Å; D79-L125 HydrophobicContact CB-CD1 4.15Å; D79-L125 HydrophobicContact CB-CD2 4.13Å; D79-L125 HydrophobicContact CB-CG 4.34Å; K123-L125 PolarHBondContact O-N 3.11Å
126	K	96.8	Very high	96.6	Very high	15 Å²	15	42.2 Å²	42.2	7%	0.065	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.7	-173.6	-64.6	162.9	-175.8	77.9	0	109.2	D79 F80 F83 D122 Q124 L129	D79-K126 WeakPolarHBondContact CA-O 3.07Å; F80-K126 HydrophobicContact CD1-CB 4.45Å; F80-K126 WeakPolarHBondContact CD1-O 3.35Å; F80-K126 HydrophobicContact CD2-CB 3.98Å; F80-K126 HydrophobicContact CE1-CB 4.08Å; F80-K126 WeakPolarHBondContact CE1-O 3.28Å; F80-K126 HydrophobicContact CE2-CB 3.58Å; F80-K126 HydrophobicContact CE2-CD 4.11Å; F80-K126 HydrophobicContact CE2-CG 4.45Å; F80-K126 HydrophobicContact CG-CB 4.4Å; F80-K126 HydrophobicContact CZ-CB 3.63Å; F80-K126 PolarHBondContact N-O 2.97Å; F80-K126 PolarHBondContact O-N 2.91Å; F83-K126 HydrophobicContact CD1-CD 4.12Å; F83-K126 HydrophobicContact CE1-CD 4.02Å; D122-K126 PolarHBondContact O-NZ 3.03Å; D122-K126 IonicContact OD1-NZ 2.68Å; D122-K126 PolarHBondContact OD1-NZ 2.96Å; Q124-K126 WeakPolarHBondContact O-CG 3.18Å; Q124-K126 PolarHBondContact O-NZ 2.83Å; K126-L129 HydrophobicContact CB-CD1 4.3Å; K126-L129 HydrophobicContact CB-CD2 4.27Å; K126-L129 HydrophobicContact CB-CG 4.44Å; K126-L129 HydrophobicContact CD-CD1 4.08Å; K126-L129 HydrophobicContact CD-CD2 4.39Å; K126-L129 HydrophobicContact CG-CD1 4.48Å; K126-L129 HydrophobicContact CG-CD2 4.17Å
127	R	97.3	Very high	96.5	Very high	119 Å²	119	47 Å²	47	45%	0.449	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	-42.9	172.1	-67.2	-168.8	-174.4	179.9	1.1	113.4	R75 S76 D79	R75-R127 CarbonylContact C-O 3.53Å; R75-R127 WeakPolarHBondContact CA-O 3.17Å; S76-R127 PolarHBondContact N-O 3.27Å; D79-R127 VanDerWaalsContact CG-NE 3.33Å; D79-R127 WeakPolarHBondContact OD1-CD 3.47Å; D79-R127 WeakPolarHBondContact OD1-CG 3.29Å; D79-R127 IonicContact OD1-CZ 2.78Å; D79-R127 IonicContact OD1-NE 2.76Å; D79-R127 PolarHBondContact OD1-NE 3.07Å; D79-R127 IonicContact OD1-NH2 3.48Å; D79-R127 IonicContact OD2-CZ 3.55Å; D79-R127 IonicContact OD2-NE 3.24Å; D79-R127 PolarHBondContact OD2-NE 2.86Å; D79-R127 IonicContact OD2-NH2 3.01Å; D79-R127 PolarHBondContact OD2-NH2 3.23Å
128	N	96.7	Very high	96.3	Very high	112 Å²	112	52.7 Å²	52.7	60%	0.599	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.6	115.5	-177.5	-64	-58.2	0	0	0	109	V74	V74-N128 WeakPolarHBondContact O-CA 3.34Å
129	L	98.4	Very high	95.7	Very high	16 Å²	16	56.9 Å²	56.9	8%	0.084	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	141	178.4	-57	174.2	0	0	0	108.8	T73 V74 F80 F83 P103 K126 F131	T73-L129 CarbonylContact C-O 3.55Å; T73-L129 WeakPolarHBondContact CA-O 3.39Å; V74-L129 HydrophobicContact CB-CB 4.26Å; V74-L129 PolarHBondContact N-O 2.88Å; V74-L129 PolarHBondContact O-N 3.35Å; F80-L129 HydrophobicContact CE2-CD1 3.9Å; F80-L129 HydrophobicContact CZ-CD1 3.7Å; F80-L129 HydrophobicContact CZ-CG 4.26Å; F83-L129 HydrophobicContact CD1-CD1 3.93Å; F83-L129 HydrophobicContact CE1-CD1 3.71Å; F83-L129 HydrophobicContact CZ-CD1 4.2Å; P103-L129 HydrophobicContact CB-CD2 4.48Å; P103-L129 HydrophobicContact CG-CB 4.24Å; P103-L129 HydrophobicContact CG-CD2 3.85Å; K126-L129 HydrophobicContact CB-CD1 4.3Å; K126-L129 HydrophobicContact CB-CD2 4.27Å; K126-L129 HydrophobicContact CB-CG 4.44Å; K126-L129 HydrophobicContact CD-CD1 4.08Å; K126-L129 HydrophobicContact CD-CD2 4.39Å; K126-L129 HydrophobicContact CG-CD1 4.48Å; K126-L129 HydrophobicContact CG-CD2 4.17Å; L129-F131 HydrophobicContact CB-CD2 4.33Å; L129-F131 HydrophobicContact CB-CE2 3.43Å; L129-F131 VanDerWaalsContact CB-CE2 3.43Å; L129-F131 HydrophobicContact CB-CZ 3.81Å; L129-F131 HydrophobicContact CD1-CE2 4.18Å; L129-F131 HydrophobicContact CD1-CZ 3.92Å; L129-F131 HydrophobicContact CG-CE2 4.46Å; L129-F131 HydrophobicContact CG-CZ 4.47Å
130	S	98.5	Very high	95.4	Very high	62 Å²	62	61.8 Å²	61.8	43%	0.434	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.7	177.3	-175.2	0	0	0	0	109.4	T71 P103	T71-S130 WeakPolarHBondContact CG2-OG 3.3Å; P103-S130 WeakPolarHBondContact CD-O 3.22Å
131	F	98.7	Very high	95.2	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	153.5	-177.7	-56.1	-92.8	0	0	0	109.4	T71 V72 V74 F83 L85 W99 R101 P103 T106 V118 L129	T71-F131 CarbonylContact C-O 3.53Å; T71-F131 VanDerWaalsContact CA-O 3.31Å; T71-F131 WeakPolarHBondContact CA-O 3.33Å; V72-F131 PolarHBondContact N-O 3.27Å; V72-F131 PolarHBondContact O-N 2.94Å; V74-F131 HydrophobicContact CG2-CD2 4.2Å; V74-F131 HydrophobicContact CG2-CE2 3.71Å; F83-F131 HydrophobicContact CE2-CE1 4.06Å; F83-F131 AromaticContact CE2-CZ 3.66Å; F83-F131 HydrophobicContact CE2-CZ 3.66Å; F83-F131 HydrophobicContact CZ-CE1 4.01Å; F83-F131 AromaticContact CZ-CZ 3.66Å; F83-F131 HydrophobicContact CZ-CZ 3.66Å; L85-F131 HydrophobicContact CD2-CD2 3.66Å; L85-F131 HydrophobicContact CD2-CE2 3.88Å; L85-F131 HydrophobicContact CD2-CG 4.03Å; L85-F131 HydrophobicContact CD2-CZ 4.42Å; W99-F131 HydrophobicContact CE3-CB 3.63Å; W99-F131 HydrophobicContact CE3-CG 4.4Å; W99-F131 HydrophobicContact CZ3-CB 3.48Å; W99-F131 VanDerWaalsContact CZ3-CB 3.48Å; W99-F131 HydrophobicContact CZ3-CG 4.28Å; R101-F131 CarbonylContact O-C 3.46Å; R101-F131 WeakPolarHBondContact O-CA 3.33Å; P103-F131 VanDerWaalsContact CD-CE1 3.45Å; P103-F131 HydrophobicContact CG-CE1 4.11Å; P103-F131 HydrophobicContact CG-CZ 4.22Å; T106-F131 HydrophobicContact CG2-CE1 4.23Å; V118-F131 HydrophobicContact CG1-CD1 3.93Å; V118-F131 HydrophobicContact CG1-CE1 3.9Å; V118-F131 HydrophobicContact CG2-CD1 4.12Å; V118-F131 HydrophobicContact CG2-CE1 3.78Å; L129-F131 HydrophobicContact CB-CD2 4.33Å; L129-F131 HydrophobicContact CB-CE2 3.43Å; L129-F131 VanDerWaalsContact CB-CE2 3.43Å; L129-F131 HydrophobicContact CB-CZ 3.81Å; L129-F131 HydrophobicContact CD1-CE2 4.18Å; L129-F131 HydrophobicContact CD1-CZ 3.92Å; L129-F131 HydrophobicContact CG-CE2 4.46Å; L129-F131 HydrophobicContact CG-CZ 4.47Å
132	V	98.8	Very high	95.2	Very high	13 Å²	13	63.8 Å²	63.8	8%	0.079	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.2	171.1	-176	0	0	0	0	109	L69 I100 R101	L69-V132 HydrophobicContact CB-CG1 4Å; L69-V132 HydrophobicContact CD1-CG1 4.44Å; L69-V132 HydrophobicContact CD2-CG1 4.48Å; I100-V132 HydrophobicContact CD1-CG1 3.88Å; I100-V132 HydrophobicContact CG1-CB 4.06Å; I100-V132 HydrophobicContact CG1-CG1 3.79Å; I100-V132 WeakPolarHBondContact CG1-O 3.1Å; I100-V132 PolarHBondContact N-O 2.91Å; R101-V132 HydrophobicContact CB-CB 3.96Å; R101-V132 HydrophobicContact CB-CG2 4.03Å; R101-V132 PolarHBondContact N-O 3.12Å; R101-V132 PolarHBondContact O-N 3.15Å
133	W	98.4	Very high	95.4	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	134.2	175.8	-178.8	77.8	0	0	0	109.9	Y64 L69 I70 V72 A87 V95 S98 W99 A135 I143 F145	Y64-W133 HydrophobicContact CG-CZ3 4.4Å; L69-W133 CarbonylContact C-O 3.58Å; L69-W133 WeakPolarHBondContact CA-O 3.34Å; I70-W133 HydrophobicContact CB-CE3 4.31Å; I70-W133 HydrophobicContact CD1-CE3 3.9Å; I70-W133 HydrophobicContact CD1-CZ3 3.83Å; I70-W133 HydrophobicContact CG1-CE3 4.25Å; I70-W133 PolarHBondContact N-O 3.01Å; I70-W133 PolarHBondContact O-N 2.85Å; V72-W133 HydrophobicContact CG2-CB 4.42Å; A87-W133 HydrophobicContact CB-CZ2 3.97Å; V95-W133 HydrophobicContact CG2-CZ2 4.46Å; S98-W133 CarbonylContact O-C 3.46Å; S98-W133 WeakPolarHBondContact O-CA 3.45Å; W99-W133 HydrophobicContact CE3-CB 3.83Å; W99-W133 HydrophobicContact CH2-CB 4.18Å; W99-W133 HydrophobicContact CZ3-CB 3.67Å; W99-W133 HydrophobicContact CZ3-CG 4.42Å; W133-A135 HydrophobicContact CE3-CB 4.33Å; W133-A135 VanDerWaalsContact CH2-CA 3.46Å; W133-A135 HydrophobicContact CH2-CB 3.81Å; W133-A135 VanDerWaalsContact CZ3-CA 3.46Å; W133-A135 HydrophobicContact CZ3-CB 3.58Å; W133-I143 HydrophobicContact CE3-CD1 4.46Å; W133-I143 HydrophobicContact CH2-CD1 3.36Å; W133-I143 HydrophobicContact CZ2-CD1 3.98Å; W133-I143 HydrophobicContact CZ3-CD1 3.66Å; W133-F145 HydrophobicContact CB-CE1 4.05Å; W133-F145 HydrophobicContact CB-CZ 4.27Å; W133-F145 AromaticContact CD2-CE1 3.91Å; W133-F145 HydrophobicContact CD2-CE1 3.91Å; W133-F145 AromaticContact CD2-CZ 3.89Å; W133-F145 HydrophobicContact CD2-CZ 3.89Å; W133-F145 HydrophobicContact CE3-CE1 4.31Å; W133-F145 AromaticContact CE3-CZ 3.8Å; W133-F145 HydrophobicContact CE3-CZ 3.8Å; W133-F145 AromaticContact CG-CE1 3.81Å; W133-F145 HydrophobicContact CG-CE1 3.81Å; W133-F145 HydrophobicContact CG-CZ 4.13Å; W133-F145 HydrophobicContact CZ3-CZ 4.36Å
134	R	98.1	Very high	95.7	Very high	84 Å²	84	60.7 Å²	60.7	32%	0.317	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124.4	171	-177.3	-179.4	-175.3	-92.8	-2.2	108.8	L69 G97 S98 I100 D137	L69-R134 HydrophobicContact CD2-CB 3.7Å; L69-R134 HydrophobicContact CD2-CG 3.83Å; G97-R134 VanDerWaalsContact CA-O 3.28Å; G97-R134 WeakPolarHBondContact CA-O 3.43Å; S98-R134 PolarHBondContact N-O 2.83Å; S98-R134 PolarHBondContact O-N 3.33Å; I100-R134 HydrophobicContact CG2-CB 3.86Å; R134-D137 IonicContact CZ-OD1 3.71Å; R134-D137 VanDerWaalsContact CZ-OD1 3.24Å; R134-D137 IonicContact CZ-OD2 3.7Å; R134-D137 IonicContact NH1-OD1 3.27Å; R134-D137 PolarHBondContact NH1-OD1 2.83Å; R134-D137 IonicContact NH1-OD2 3.94Å; R134-D137 PolarHBondContact NH1-OD2 3.27Å; R134-D137 VanDerWaalsContact NH1-OD2 3.11Å; R134-D137 IonicContact NH2-OD1 2.64Å; R134-D137 PolarHBondContact NH2-OD1 2.94Å; R134-D137 IonicContact NH2-OD2 3.02Å
135	A	97.1	Very high	95.8	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.008	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-62.1	151.3	175	0	0	0	0	0	111.8	Y64 L65 G67 Q68 W133	Y64-A135 HydrophobicContact CD2-CB 3.5Å; Y64-A135 HydrophobicContact CE2-CB 4.05Å; Y64-A135 HydrophobicContact CG-CB 4.23Å; L65-A135 WeakPolarHBondContact O-CB 3.45Å; G67-A135 WeakPolarHBondContact CA-O 3.45Å; G67-A135 PolarHBondContact N-O 2.85Å; Q68-A135 PolarHBondContact O-N 2.57Å; W133-A135 HydrophobicContact CE3-CB 4.33Å; W133-A135 VanDerWaalsContact CH2-CA 3.46Å; W133-A135 HydrophobicContact CH2-CB 3.81Å; W133-A135 VanDerWaalsContact CZ3-CA 3.46Å; W133-A135 HydrophobicContact CZ3-CB 3.58Å
136	P	94.9	Very high	95.8	Very high	9 Å²	9	49.4 Å²	49.4	6%	0.058	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-56.8	156.5	172.5	-14	23.8	0	0	0	111.6	P66 G67 M138 K140	P66-P136 VanDerWaalsContact CA-O 3.25Å; P66-P136 WeakPolarHBondContact CA-O 3.44Å; G67-P136 PolarHBondContact N-O 3.16Å; P136-M138 PolarHBondContact O-N 2.9Å; P136-K140 HydrophobicContact CB-CG 4.1Å; P136-K140 HydrophobicContact CG-CG 3.83Å
137	D	94.5	Very high	95.8	Very high	106 Å²	106	48.7 Å²	48.7	57%	0.567	25%	0.25	S	S	*	.	S	Bend	trans	-76.7	-5.2	178.6	-63.4	-54.3	0	0	0	113.7	R134	R134-D137 IonicContact CZ-OD1 3.71Å; R134-D137 VanDerWaalsContact CZ-OD1 3.24Å; R134-D137 IonicContact CZ-OD2 3.7Å; R134-D137 IonicContact NH1-OD1 3.27Å; R134-D137 PolarHBondContact NH1-OD1 2.83Å; R134-D137 IonicContact NH1-OD2 3.94Å; R134-D137 PolarHBondContact NH1-OD2 3.27Å; R134-D137 VanDerWaalsContact NH1-OD2 3.11Å; R134-D137 IonicContact NH2-OD1 2.64Å; R134-D137 PolarHBondContact NH2-OD1 2.94Å; R134-D137 IonicContact NH2-OD2 3.02Å
138	M	91.3	Very high	95.8	Very high	121 Å²	121	43.2 Å²	43.2	60%	0.596	23%	0.23	S	C	*	.	S	Bend	trans	-130.6	147.7	174.9	-64.3	-174.4	-68.8	0	0	110	P136 K140	P136-M138 PolarHBondContact O-N 2.9Å; M138-K140 PolarHBondContact O-N 3.32Å
139	P	85	Confident	95.8	Very high	88 Å²	88	37.9 Å²	37.9	57%	0.571	20%	0.202	S	C	*	.			trans	-50.4	137.9	172.1	-28.5	36.7	0	0	0	112.2	P66 D167	P66-P139 HydrophobicContact CG-CG 4.49Å; P139-D167 WeakPolarHBondContact CA-OD2 3.06Å; P139-D167 WeakPolarHBondContact CB-OD2 3.12Å
140	K	90.1	Very high	95.7	Very high	103 Å²	103	37.6 Å²	37.6	45%	0.448	20%	0.2	S	C	.	.			trans	-131.3	5	179.5	-65.3	-60.7	176.7	-173.6	0	113	V95 P136 M138 D167	V95-K140 HydrophobicContact CG1-CB 3.9Å; P136-K140 HydrophobicContact CB-CG 4.1Å; P136-K140 HydrophobicContact CG-CG 3.83Å; M138-K140 PolarHBondContact O-N 3.32Å; K140-D167 PolarHBondContact N-OD2 3.39Å
141	G	93.4	Very high	95.5	Very high	33 Å²	33	37.7 Å²	37.7	34%	0.34	19%	0.194	S	C	.	.			trans	77.1	171.7	-173.1	0	0	0	0	0	112.7	Y64 I143 D167	Y64-G141 PolarHBondContact OH-O 3.21Å; G141-I143 WeakPolarHBondContact O-CG2 3.35Å; G141-D167 WeakPolarHBondContact CA-OD2 3.43Å; G141-D167 PolarHBondContact N-OD2 3.32Å
142	D	96.2	Very high	95.1	Very high	65 Å²	65	39.6 Å²	39.6	35%	0.348	21%	0.207	S	C	.	.			trans	-49.5	143.2	179.9	-69.8	2	0	0	0	112.9	S89 V90 V164 R166 D167	S89-D142 CarbonylContact C-O 3.53Å; S89-D142 WeakPolarHBondContact CA-O 3.33Å; V90-D142 HydrophobicContact CB-CB 4.2Å; V90-D142 HydrophobicContact CG2-CB 3.69Å; V90-D142 PolarHBondContact N-O 3.22Å; D142-V164 HydrophobicContact CB-CG1 3.86Å; D142-R166 WeakPolarHBondContact OD1-CA 3.47Å; D142-D167 PolarHBondContact OD1-N 3.35Å
143	I	96.9	Very high	94.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	161.9	-178.7	72.2	173.4	0	0	0	112.6	Y64 A87 R88 V95 W133 G141 F145 V164 V165	Y64-I143 HydrophobicContact CD1-CD1 4.14Å; Y64-I143 HydrophobicContact CD1-CG1 4.26Å; Y64-I143 HydrophobicContact CE1-CB 4.46Å; Y64-I143 HydrophobicContact CE1-CD1 3.88Å; Y64-I143 HydrophobicContact CE1-CG1 3.81Å; Y64-I143 HydrophobicContact CE1-CG2 3.96Å; A87-I143 HydrophobicContact CB-CD1 4.44Å; R88-I143 CarbonylContact O-C 3.48Å; R88-I143 WeakPolarHBondContact O-CA 3.24Å; R88-I143 WeakPolarHBondContact O-CB 3.42Å; V95-I143 HydrophobicContact CB-CG2 4.45Å; V95-I143 HydrophobicContact CG1-CG2 3.99Å; V95-I143 HydrophobicContact CG2-CG2 3.92Å; W133-I143 HydrophobicContact CE3-CD1 4.46Å; W133-I143 HydrophobicContact CH2-CD1 3.36Å; W133-I143 HydrophobicContact CZ2-CD1 3.98Å; W133-I143 HydrophobicContact CZ3-CD1 3.66Å; G141-I143 WeakPolarHBondContact O-CG2 3.35Å; I143-F145 HydrophobicContact CD1-CE2 4.22Å; I143-F145 HydrophobicContact CD1-CZ 4.06Å; I143-V164 WeakPolarHBondContact O-CA 3.17Å; I143-V165 HydrophobicContact CG1-CB 3.9Å; I143-V165 PolarHBondContact N-O 3.1Å; I143-V165 PolarHBondContact O-N 3.2Å
144	R	97.1	Very high	94.1	Very high	71 Å²	71	51.4 Å²	51.4	27%	0.268	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	150.3	160.2	-68.3	-170.1	-177.6	103.7	6.9	109.9	R88 V90 H146 E161 V164	R88-R144 PolarHBondContact N-O 3.49Å; R88-R144 PolarHBondContact O-N 3.05Å; R88-R144 VanDerWaalsContact O-O 3.14Å; V90-R144 HydrophobicContact CG2-CG 4.31Å; R144-H146 PolarHBondContact O-CD2 2.65Å; R144-E161 WeakPolarHBondContact CD-OE2 3.42Å; R144-E161 IonicContact NE-OE2 3.67Å; R144-E161 IonicContact NH1-OE2 3.91Å; R144-V164 HydrophobicContact CG-CG2 4.18Å
145	F	97.6	Very high	93.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	133	163.8	-64	-83.5	0	0	0	108.7	L57 T59 V72 L85 Q86 A87 W99 W133 I143 E161 S162 V165	L57-F145 HydrophobicContact CD1-CB 4.11Å; L57-F145 VanDerWaalsContact CD1-O 3.28Å; L57-F145 WeakPolarHBondContact CD1-O 3.45Å; T59-F145 HydrophobicContact CG2-CD2 3.53Å; T59-F145 HydrophobicContact CG2-CE2 3.64Å; V72-F145 HydrophobicContact CG1-CB 4.38Å; V72-F145 HydrophobicContact CG1-CD1 4.35Å; V72-F145 HydrophobicContact CG1-CD2 4.47Å; V72-F145 HydrophobicContact CG1-CG 4.14Å; V72-F145 HydrophobicContact CG2-CD1 3.89Å; V72-F145 HydrophobicContact CG2-CD2 4.07Å; V72-F145 HydrophobicContact CG2-CE1 3.59Å; V72-F145 HydrophobicContact CG2-CE2 3.78Å; V72-F145 HydrophobicContact CG2-CG 4.11Å; V72-F145 HydrophobicContact CG2-CZ 3.54Å; L85-F145 HydrophobicContact CD1-CB 4.42Å; Q86-F145 CarbonylContact O-C 3.57Å; Q86-F145 WeakPolarHBondContact O-CA 3.23Å; A87-F145 HydrophobicContact CB-CD1 3.99Å; A87-F145 HydrophobicContact CB-CE1 3.82Å; W99-F145 AromaticContact CH2-CD1 3.66Å; W99-F145 HydrophobicContact CH2-CD1 3.66Å; W99-F145 AromaticContact CH2-CE1 3.72Å; W99-F145 HydrophobicContact CH2-CE1 3.72Å; W99-F145 HydrophobicContact CZ2-CD1 4.02Å; W99-F145 HydrophobicContact CZ2-CE1 4.18Å; W133-F145 HydrophobicContact CB-CE1 4.05Å; W133-F145 HydrophobicContact CB-CZ 4.27Å; W133-F145 AromaticContact CD2-CE1 3.91Å; W133-F145 HydrophobicContact CD2-CE1 3.91Å; W133-F145 AromaticContact CD2-CZ 3.89Å; W133-F145 HydrophobicContact CD2-CZ 3.89Å; W133-F145 HydrophobicContact CE3-CE1 4.31Å; W133-F145 AromaticContact CE3-CZ 3.8Å; W133-F145 HydrophobicContact CE3-CZ 3.8Å; W133-F145 AromaticContact CG-CE1 3.81Å; W133-F145 HydrophobicContact CG-CE1 3.81Å; W133-F145 HydrophobicContact CG-CZ 4.13Å; W133-F145 HydrophobicContact CZ3-CZ 4.36Å; I143-F145 HydrophobicContact CD1-CE2 4.22Å; I143-F145 HydrophobicContact CD1-CZ 4.06Å; F145-E161 CarbonylContact O-C 3.5Å; F145-E161 VanDerWaalsContact O-CA 3.32Å; F145-E161 WeakPolarHBondContact O-CA 3.49Å; F145-S162 PolarHBondContact N-OG 3.17Å; F145-S162 PolarHBondContact O-N 3.16Å; F145-V165 HydrophobicContact CD2-CG2 4.38Å; F145-V165 HydrophobicContact CE2-CG2 3.99Å
146	H	96.6	Very high	93.7	Very high	18 Å²	18	49.6 Å²	49.6	8%	0.083	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.4	-179.8	-68.2	-126.1	0	0	0	108.5	M38 L85 Q86 R144 V160 E161	M38-H146 HydrophobicContact CE-CB 3.9Å; M38-H146 WeakPolarHBondContact CE-O 3.13Å; M38-H146 HydrophobicContact SD-CB 3.59Å; M38-H146 VanDerWaalsContact SD-CB 3.59Å; L85-H146 WeakPolarHBondContact CA-O 3.45Å; L85-H146 WeakPolarHBondContact CD1-O 3.47Å; Q86-H146 PolarHBondContact N-O 2.83Å; Q86-H146 PolarHBondContact O-N 3.3Å; R144-H146 PolarHBondContact O-CD2 2.65Å; H146-V160 CarbonylContact C-O 3.36Å; H146-V160 WeakPolarHBondContact CA-O 3.48Å; H146-E161 IonicContact CE1-OE1 3.51Å; H146-E161 PolarHBondContact CE1-OE1 2.96Å; H146-E161 IonicContact ND1-OE1 3.52Å; H146-E161 IonicContact NE2-OE1 3.06Å
147	I	97.3	Very high	93.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.2	174.1	-163.5	173	0	0	0	111.6	I55 L57 V74 F83 L84 L85 V149 V160	I55-I147 HydrophobicContact CG2-CG2 4.07Å; L57-I147 HydrophobicContact CD1-CB 4.08Å; L57-I147 HydrophobicContact CD1-CG2 3.74Å; L57-I147 HydrophobicContact CD2-CB 4.25Å; L57-I147 HydrophobicContact CD2-CD1 4.35Å; L57-I147 HydrophobicContact CD2-CG2 3.95Å; L57-I147 HydrophobicContact CG-CG2 3.9Å; V74-I147 HydrophobicContact CB-CD1 4.31Å; V74-I147 HydrophobicContact CG1-CD1 3.61Å; V74-I147 HydrophobicContact CG2-CD1 3.67Å; F83-I147 HydrophobicContact CB-CD1 4.22Å; F83-I147 HydrophobicContact CB-CG1 4.4Å; L84-I147 CarbonylContact O-C 3.55Å; L84-I147 VanDerWaalsContact O-CA 3.31Å; L84-I147 WeakPolarHBondContact O-CA 3.26Å; L84-I147 WeakPolarHBondContact O-CG1 3.5Å; L85-I147 HydrophobicContact CB-CG1 4.3Å; L85-I147 HydrophobicContact CD1-CB 3.93Å; L85-I147 HydrophobicContact CD1-CD1 4.4Å; L85-I147 HydrophobicContact CD1-CG1 4.28Å; I147-V149 HydrophobicContact CD1-CG2 3.67Å; I147-V149 HydrophobicContact CG1-CG2 3.77Å; I147-V149 HydrophobicContact CG2-CG2 4.27Å; I147-V160 HydrophobicContact CG2-CB 3.71Å; I147-V160 HydrophobicContact CG2-CG1 4.01Å; I147-V160 PolarHBondContact N-O 3.09Å; I147-V160 PolarHBondContact O-N 2.98Å
148	T	96.9	Very high	93.8	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.025	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	133.8	159.1	-68.2	0	0	0	0	108.1	M38 P40 F83 L84 Y156 W157 T158	M38-T148 WeakPolarHBondContact CB-OG1 3.24Å; M38-T148 WeakPolarHBondContact O-CB 3.18Å; M38-T148 VanDerWaalsContact O-CG2 3.29Å; M38-T148 WeakPolarHBondContact O-CG2 3.03Å; M38-T148 PolarHBondContact O-OG1 2.71Å; P40-T148 HydrophobicContact CG-CG2 3.92Å; F83-T148 CarbonylContact C-O 3.54Å; F83-T148 WeakPolarHBondContact CA-O 3.5Å; F83-T148 WeakPolarHBondContact CB-O 3.29Å; L84-T148 PolarHBondContact N-O 3.01Å; L84-T148 PolarHBondContact O-N 3.12Å; T148-Y156 HydrophobicContact CG2-CD2 4.23Å; T148-W157 CarbonylContact C-O 3.55Å; T148-W157 WeakPolarHBondContact CA-O 3.34Å; T148-W157 WeakPolarHBondContact CG2-O 3.45Å; T148-T158 WeakPolarHBondContact OG1-CB 3.34Å; T148-T158 PolarHBondContact OG1-OG1 2.8Å
149	V	96.8	Very high	93.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.5	179.2	176.7	0	0	0	0	110	I55 F80 F83 I147 Y156 W157	I55-V149 HydrophobicContact CD1-CB 4.27Å; I55-V149 HydrophobicContact CD1-CG1 3.87Å; I55-V149 HydrophobicContact CD1-CG2 4.09Å; I55-V149 HydrophobicContact CG1-CB 4.05Å; I55-V149 HydrophobicContact CG1-CG1 4.18Å; I55-V149 HydrophobicContact CG1-CG2 3.86Å; I55-V149 HydrophobicContact CG2-CG2 4.11Å; F80-V149 HydrophobicContact CB-CG1 3.3Å; F80-V149 HydrophobicContact CD1-CG1 3.95Å; F80-V149 HydrophobicContact CD2-CG1 3.67Å; F80-V149 HydrophobicContact CE2-CG1 4.44Å; F80-V149 HydrophobicContact CG-CG1 3.38Å; F83-V149 HydrophobicContact CB-CG2 4.44Å; I147-V149 HydrophobicContact CD1-CG2 3.67Å; I147-V149 HydrophobicContact CG1-CG2 3.77Å; I147-V149 HydrophobicContact CG2-CG2 4.27Å; V149-Y156 CarbonylContact O-C 3.55Å; V149-Y156 WeakPolarHBondContact O-CA 3.48Å; V149-Y156 VanDerWaalsContact O-CB 3.24Å; V149-Y156 WeakPolarHBondContact O-CB 3.43Å; V149-W157 PolarHBondContact N-O 2.83Å; V149-W157 PolarHBondContact O-N 2.93Å
150	V	95.5	Very high	94.3	Very high	9 Å²	9	38 Å²	38	6%	0.055	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	112.3	177.4	177.5	0	0	0	0	108.7	P40 I43 F80 M81 G82 S152	P40-V150 HydrophobicContact CB-CG2 4.18Å; P40-V150 HydrophobicContact CG-CG2 3.71Å; I43-V150 HydrophobicContact CD1-CB 4.2Å; I43-V150 HydrophobicContact CD1-CG1 3.38Å; I43-V150 HydrophobicContact CD1-CG2 3.69Å; F80-V150 WeakPolarHBondContact CB-O 3.23Å; M81-V150 HydrophobicContact CE-CG1 3.61Å; M81-V150 HydrophobicContact CG-CG1 4.25Å; M81-V150 PolarHBondContact N-O 2.86Å; G82-V150 PolarHBondContact N-O 2.83Å; G82-V150 VanDerWaalsContact N-O 3.16Å; G82-V150 PolarHBondContact O-N 3.48Å; V150-S152 VanDerWaalsContact CG1-O 3.29Å; V150-S152 WeakPolarHBondContact CG1-O 3.49Å
151	Q	94.1	Very high	94.6	Very high	65 Å²	65	37.4 Å²	37.4	30%	0.304	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-41.3	172.5	174.9	175.7	-4.8	0	0	111.4	D79 V155 W157	D79-Q151 WeakPolarHBondContact O-CG 3.49Å; Q151-V155 HydrophobicContact CB-CB 4.42Å; Q151-V155 HydrophobicContact CB-CG1 4.17Å; Q151-V155 PolarHBondContact N-O 2.88Å; Q151-W157 HydrophobicContact CB-CH2 4.46Å; Q151-W157 HydrophobicContact CB-CZ3 3.81Å; Q151-W157 VanDerWaalsContact OE1-CH2 3.22Å
152	S	91.1	Very high	94.8	Very high	40 Å²	40	36.2 Å²	36.2	28%	0.28	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	172.7	175.3	76.8	0	0	0	0	109.9	V150 F154 V155	V150-S152 VanDerWaalsContact CG1-O 3.29Å; V150-S152 WeakPolarHBondContact CG1-O 3.49Å; S152-F154 PolarHBondContact O-N 2.99Å; S152-F154 PolarHBondContact OG-N 2.76Å; S152-V155 PolarHBondContact N-O 2.76Å; S152-V155 VanDerWaalsContact N-O 3.15Å; S152-V155 PolarHBondContact O-N 2.78Å; S152-V155 VanDerWaalsContact O-N 3.12Å; S152-V155 VanDerWaalsContact O-O 3.1Å; S152-V155 WeakPolarHBondContact OG-CB 3.34Å; S152-V155 PolarHBondContact OG-N 3.39Å
153	Y	86.3	Confident	94.9	Very high	97 Å²	97	36.4 Å²	36.4	38%	0.38	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-7.6	177.3	-68.6	-82.6	0	0	0	114.6	H42 I43 M81 K123	H42-Y153 AromaticContact CD2-CE1 3.81Å; I43-Y153 HydrophobicContact CG1-CD1 4.35Å; I43-Y153 WeakPolarHBondContact CG2-O 3.35Å; M81-Y153 HydrophobicContact CE-CD1 4.33Å; M81-Y153 HydrophobicContact CE-CD2 3.84Å; M81-Y153 HydrophobicContact CE-CE1 4.37Å; M81-Y153 HydrophobicContact CE-CE2 3.88Å; M81-Y153 HydrophobicContact CE-CG 4.07Å; K123-Y153 VanDerWaalsContact CE-OH 3.31Å; K123-Y153 WeakPolarHBondContact CE-OH 3.12Å; K123-Y153 PolarHBondContact NZ-OH 2.96Å
154	F	88.6	Confident	94.9	Very high	164 Å²	164	38.5 Å²	38.5	72%	0.719	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.1	-5.5	179	-56.2	-74.3	0	0	0	113.1	S152	S152-F154 PolarHBondContact O-N 2.99Å; S152-F154 PolarHBondContact OG-N 2.76Å
155	V	92.4	Very high	94.9	Very high	43 Å²	43	35.1 Å²	35.1	26%	0.261	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	110.5	-171.8	-179	0	0	0	0	109.2	L48 Q151 S152 W157	L48-V155 HydrophobicContact CD1-CG1 3.81Å; Q151-V155 HydrophobicContact CB-CB 4.42Å; Q151-V155 HydrophobicContact CB-CG1 4.17Å; Q151-V155 PolarHBondContact N-O 2.88Å; S152-V155 PolarHBondContact N-O 2.76Å; S152-V155 VanDerWaalsContact N-O 3.15Å; S152-V155 PolarHBondContact O-N 2.78Å; S152-V155 VanDerWaalsContact O-N 3.12Å; S152-V155 VanDerWaalsContact O-O 3.1Å; S152-V155 WeakPolarHBondContact OG-CB 3.34Å; S152-V155 PolarHBondContact OG-N 3.39Å; V155-W157 HydrophobicContact CG1-CH2 3.48Å; V155-W157 VanDerWaalsContact CG1-CH2 3.48Å; V155-W157 HydrophobicContact CG1-CZ2 4.19Å; V155-W157 HydrophobicContact CG1-CZ3 3.74Å
156	Y	95.4	Very high	94.9	Very high	5 Å²	5	42.8 Å²	42.8	2%	0.02	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	159.6	174.3	75.9	-78.8	0	0	0	111.7	P40 I43 A45 H46 P47 L48 T148 V149	P40-Y156 VanDerWaalsContact CD-CE2 3.43Å; P40-Y156 HydrophobicContact CG-CD2 3.76Å; P40-Y156 HydrophobicContact CG-CE2 4.04Å; P40-Y156 HydrophobicContact CG-CG 4.08Å; I43-Y156 HydrophobicContact CG2-CD1 3.91Å; I43-Y156 HydrophobicContact CG2-CE1 3.94Å; A45-Y156 HydrophobicContact CB-CD1 4.3Å; A45-Y156 HydrophobicContact CB-CE1 4Å; A45-Y156 WeakPolarHBondContact O-CE1 3.21Å; A45-Y156 PolarHBondContact O-OH 3.46Å; H46-Y156 VanDerWaalsContact C-CE1 3.48Å; H46-Y156 WeakPolarHBondContact O-CE1 3Å; P47-Y156 HydrophobicContact CB-CD2 4.23Å; P47-Y156 HydrophobicContact CB-CE2 3.56Å; P47-Y156 WeakPolarHBondContact CD-OH 3.29Å; P47-Y156 HydrophobicContact CG-CE2 4.4Å; P47-Y156 VanDerWaalsContact N-CZ 3.33Å; L48-Y156 PolarHBondContact N-O 2.79Å; T148-Y156 HydrophobicContact CG2-CD2 4.23Å; V149-Y156 CarbonylContact O-C 3.55Å; V149-Y156 WeakPolarHBondContact O-CA 3.48Å; V149-Y156 VanDerWaalsContact O-CB 3.24Å; V149-Y156 WeakPolarHBondContact O-CB 3.43Å
157	W	96.2	Very high	94.6	Very high	13 Å²	13	45.2 Å²	45.2	5%	0.049	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	141.5	172.6	-63.5	-95.2	0	0	0	108.5	L48 D49 F54 T148 V149 Q151 V155 V160	L48-W157 HydrophobicContact CB-CG 4.36Å; L48-W157 HydrophobicContact CD1-CH2 4.33Å; L48-W157 HydrophobicContact CD1-CZ2 3.69Å; D49-W157 VanDerWaalsContact O-CD1 3.28Å; F54-W157 AromaticContact CD2-CH2 3.99Å; F54-W157 HydrophobicContact CD2-CH2 3.99Å; F54-W157 HydrophobicContact CD2-CZ2 4.05Å; F54-W157 HydrophobicContact CE2-CH2 4.1Å; F54-W157 AromaticContact CE2-CZ2 3.97Å; F54-W157 HydrophobicContact CE2-CZ2 3.97Å; T148-W157 CarbonylContact C-O 3.55Å; T148-W157 WeakPolarHBondContact CA-O 3.34Å; T148-W157 WeakPolarHBondContact CG2-O 3.45Å; V149-W157 PolarHBondContact N-O 2.83Å; V149-W157 PolarHBondContact O-N 2.93Å; Q151-W157 HydrophobicContact CB-CH2 4.46Å; Q151-W157 HydrophobicContact CB-CZ3 3.81Å; Q151-W157 VanDerWaalsContact OE1-CH2 3.22Å; V155-W157 HydrophobicContact CG1-CH2 3.48Å; V155-W157 VanDerWaalsContact CG1-CH2 3.48Å; V155-W157 HydrophobicContact CG1-CZ2 4.19Å; V155-W157 HydrophobicContact CG1-CZ3 3.74Å; W157-V160 HydrophobicContact CB-CG2 4.13Å
158	T	94.4	Very high	94.5	Very high	28 Å²	28	47.5 Å²	47.5	17%	0.172	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	156.2	172.5	-170.4	0	0	0	0	109.6	M38 P47 P50 T148 V160	M38-T158 PolarHBondContact O-OG1 2.91Å; P47-T158 HydrophobicContact CB-CG2 3.65Å; P47-T158 HydrophobicContact CG-CG2 4.13Å; P50-T158 WeakPolarHBondContact CB-O 3.21Å; T148-T158 WeakPolarHBondContact OG1-CB 3.34Å; T148-T158 PolarHBondContact OG1-OG1 2.8Å; T158-V160 VanDerWaalsContact C-N 3.32Å; T158-V160 PolarHBondContact O-N 2.99Å
159	G	91.4	Very high	94.4	Very high	30 Å²	30	49.8 Å²	49.8	31%	0.309	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	69.8	27.9	-179.9	0	0	0	0	0	113.7	E161	G159-E161 PolarHBondContact O-N 2.86Å
160	V	96.1	Very high	94.2	Very high	9 Å²	9	52.5 Å²	52.5	6%	0.055	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	122.8	166.4	178.9	0	0	0	0	107.5	P50 I55 H146 I147 W157 T158	P50-V160 HydrophobicContact CB-CG2 3.8Å; I55-V160 HydrophobicContact CB-CG1 4.27Å; I55-V160 HydrophobicContact CG2-CG1 4.3Å; H146-V160 CarbonylContact C-O 3.36Å; H146-V160 WeakPolarHBondContact CA-O 3.48Å; I147-V160 HydrophobicContact CG2-CB 3.71Å; I147-V160 HydrophobicContact CG2-CG1 4.01Å; I147-V160 PolarHBondContact N-O 3.09Å; I147-V160 PolarHBondContact O-N 2.98Å; W157-V160 HydrophobicContact CB-CG2 4.13Å; T158-V160 VanDerWaalsContact C-N 3.32Å; T158-V160 PolarHBondContact O-N 2.99Å
161	E	96.5	Very high	94.1	Very high	90 Å²	90	55.1 Å²	55.1	42%	0.421	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	150.3	-171.5	-61.9	-176.3	164.1	0	0	112.3	R144 F145 H146 G159	R144-E161 WeakPolarHBondContact CD-OE2 3.42Å; R144-E161 IonicContact NE-OE2 3.67Å; R144-E161 IonicContact NH1-OE2 3.91Å; F145-E161 CarbonylContact O-C 3.5Å; F145-E161 VanDerWaalsContact O-CA 3.32Å; F145-E161 WeakPolarHBondContact O-CA 3.49Å; H146-E161 IonicContact CE1-OE1 3.51Å; H146-E161 PolarHBondContact CE1-OE1 2.96Å; H146-E161 IonicContact ND1-OE1 3.52Å; H146-E161 IonicContact NE2-OE1 3.06Å; G159-E161 PolarHBondContact O-N 2.86Å
162	S	97.4	Very high	94.1	Very high	8 Å²	8	54.4 Å²	54.4	6%	0.056	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-76.8	171.4	163.7	70.7	0	0	0	0	111.5	F145	F145-S162 PolarHBondContact N-OG 3.17Å; F145-S162 PolarHBondContact O-N 3.16Å
163	A	97.7	Very high	94.4	Very high	70 Å²	70	55.4 Å²	55.4	58%	0.579	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-56.7	156.9	157.7	0	0	0	0	0	110.8
164	V	97.9	Very high	94.9	Very high	44 Å²	44	52.4 Å²	52.4	27%	0.267	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-63.9	135.4	174.9	178.5	0	0	0	0	109.5	V90 D142 I143 R144 R166	V90-V164 HydrophobicContact CG2-CG1 4.06Å; V90-V164 HydrophobicContact CG2-CG2 4.21Å; D142-V164 HydrophobicContact CB-CG1 3.86Å; I143-V164 WeakPolarHBondContact O-CA 3.17Å; R144-V164 HydrophobicContact CG-CG2 4.18Å; V164-R166 HydrophobicContact CG1-CG 4.37Å
165	V	97.6	Very high	95.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-109.1	117.4	167.8	-169.7	0	0	0	0	107.7	T59 S62 Y64 I70 I143 F145	T59-V165 HydrophobicContact CG2-CG2 3.91Å; S62-V165 WeakPolarHBondContact O-CA 3.5Å; Y64-V165 HydrophobicContact CD1-CB 4.35Å; Y64-V165 HydrophobicContact CD1-CG1 3.71Å; Y64-V165 HydrophobicContact CG-CG1 4.47Å; I70-V165 HydrophobicContact CD1-CG1 3.8Å; I143-V165 HydrophobicContact CG1-CB 3.9Å; I143-V165 PolarHBondContact N-O 3.1Å; I143-V165 PolarHBondContact O-N 3.2Å; F145-V165 HydrophobicContact CD2-CG2 4.38Å; F145-V165 HydrophobicContact CE2-CG2 3.99Å
166	R	97.1	Very high	95.7	Very high	160 Å²	160	43.9 Å²	43.9	60%	0.604	24%	0.242	S	C	*	.	B	Isolated β-bridge	trans	-80.4	138.4	-174	-63.2	176.1	-179.5	150.7	0.3	111.9	S62 S63 Y64 D142 V164	S62-R166 PolarHBondContact O-N 3.31Å; S63-R166 CarbonylContact C-O 3.45Å; S63-R166 WeakPolarHBondContact CA-O 3.31Å; S63-R166 VanDerWaalsContact CB-O 3.31Å; S63-R166 WeakPolarHBondContact CB-O 3.43Å; Y64-R166 PolarHBondContact N-O 3.23Å; D142-R166 WeakPolarHBondContact OD1-CA 3.47Å; V164-R166 HydrophobicContact CG1-CG 4.37Å
167	D	90.3	Very high	95.7	Very high	70 Å²	70	47.5 Å²	47.5	37%	0.374	26%	0.262	S	S	.	.			trans	-75.9	0	171	-162.7	27.3	0	0	0	111.1	Y64 P139 K140 G141 D142	Y64-D167 HydrophobicContact CE1-CB 4.11Å; Y64-D167 HydrophobicContact CE2-CB 4.33Å; Y64-D167 WeakPolarHBondContact CE2-OD1 3.26Å; Y64-D167 VanDerWaalsContact CZ-OD1 3.26Å; Y64-D167 VanDerWaalsContact O-OXT 3.14Å; Y64-D167 WeakPolarHBondContact OH-CB 3.5Å; Y64-D167 VanDerWaalsContact OH-CG 3.25Å; Y64-D167 PolarHBondContact OH-OD1 3.23Å; P139-D167 WeakPolarHBondContact CA-OD2 3.06Å; P139-D167 WeakPolarHBondContact CB-OD2 3.12Å; K140-D167 PolarHBondContact N-OD2 3.39Å; G141-D167 WeakPolarHBondContact CA-OD2 3.43Å; G141-D167 PolarHBondContact N-OD2 3.32Å; D142-D167 PolarHBondContact OD1-N 3.35Å

Retrieved 167 of 167 residues in 277.2 ms (Link to these results)

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