A0A061AD52_CAEEL Loading...

C-type lectin domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AD52, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 185 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.7	Very low	59.7	Low	238 Å²	238	158.8 Å²	158.8	100%	1.172	85%	0.847	S	S	*	*				0	139.3	0	-67.8	176.1	-176.5	0	0	107.3
2	L	45.4	Very low	60.1	Low	179 Å²	179	154.9 Å²	154.9	94%	0.937	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-66.4	133.7	-150.8	-68.2	138.1	0	0	0	115
3	F	61.7	Low	60.2	Low	200 Å²	200	149.9 Å²	149.9	88%	0.877	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-87	137	161.5	-79.9	-85.4	0	0	0	109.2
4	P	62.9	Low	60.5	Low	122 Å²	122	148.9 Å²	148.9	79%	0.792	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-82.1	137.4	-175	32.5	-31.1	0	0	0	111.6	L6	P4-L6 PolarHBondContact O-N 3.45Å
5	S	61.4	Low	60.5	Low	104 Å²	104	149.8 Å²	149.8	73%	0.727	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-59.7	124	177.8	-55.4	0	0	0	0	112.4	F7	S5-F7 PolarHBondContact O-N 3.49Å
6	L	63.3	Low	60.3	Low	161 Å²	161	146.1 Å²	146.1	84%	0.843	83%	0.829	S	S	*	*			trans	-78.6	108.5	171.9	-165.9	75.6	0	0	0	109	P4 L8	P4-L6 PolarHBondContact O-N 3.45Å; L6-L8 PolarHBondContact O-N 3.24Å
7	F	62	Low	60.3	Low	191 Å²	191	144.1 Å²	144.1	84%	0.838	83%	0.826	S	S	*	*			trans	-74.2	113.9	171	-74.7	-83.5	0	0	0	109.6	S5 V9	S5-F7 PolarHBondContact O-N 3.49Å; F7-V9 PolarHBondContact O-N 3.42Å
8	L	61.3	Low	60.2	Low	139 Å²	139	144.3 Å²	144.3	73%	0.728	82%	0.824	S	S	*	*			trans	-79.3	113.1	169.3	-85	156.8	0	0	0	109.3	L6	L6-L8 PolarHBondContact O-N 3.24Å
9	V	64.6	Low	60.5	Low	132 Å²	132	142.9 Å²	142.9	80%	0.8	81%	0.814	S	S	*	*			trans	-81.9	111.6	168.5	179.6	0	0	0	0	107.7	F7 A11	F7-V9 PolarHBondContact O-N 3.42Å; V9-A11 PolarHBondContact O-N 3.38Å
10	F	63.4	Low	61.2	Low	186 Å²	186	143.3 Å²	143.3	82%	0.816	81%	0.813	S	S	*	*			trans	-74.8	105.5	169	-74.5	-83.9	0	0	0	108.9	S12	F10-S12 PolarHBondContact O-N 3.12Å
11	A	61.9	Low	62.3	Low	95 Å²	95	140.1 Å²	140.1	79%	0.785	79%	0.794	S	S	*	*			trans	-77.3	110.9	167	0	0	0	0	0	108.7	V9 A13	V9-A11 PolarHBondContact O-N 3.38Å; A11-A13 PolarHBondContact O-N 2.96Å; A11-A13 VanDerWaalsContact O-N 3.17Å
12	S	64.4	Low	64.2	Low	112 Å²	112	131.6 Å²	131.6	78%	0.783	76%	0.756	S	S	*	*			trans	-65	110.6	171	-45.4	0	0	0	0	109	F10 V14	F10-S12 PolarHBondContact O-N 3.12Å; S12-V14 PolarHBondContact O-N 3.4Å; S12-V14 VanDerWaalsContact O-N 3.12Å
13	A	62	Low	66.5	Low	90 Å²	90	123.7 Å²	123.7	74%	0.744	72%	0.716	S	S	*	*			trans	-68.6	106.2	171.8	0	0	0	0	0	109.1	A11 L15	A11-A13 PolarHBondContact O-N 2.96Å; A11-A13 VanDerWaalsContact O-N 3.17Å; A13-L15 PolarHBondContact O-N 3.15Å; A13-L15 VanDerWaalsContact O-N 3.15Å
14	V	63.8	Low	67.7	Low	135 Å²	135	118 Å²	118	82%	0.818	69%	0.694	S	S	*	*			trans	-70.6	104.1	163.4	-178.1	0	0	0	0	105.8	S12 A16	S12-V14 PolarHBondContact O-N 3.4Å; S12-V14 VanDerWaalsContact O-N 3.12Å; V14-A16 PolarHBondContact O-N 3.17Å
15	L	60.1	Low	68.7	Low	163 Å²	163	117.8 Å²	117.8	85%	0.853	70%	0.696	S	S	*	*			trans	-62.8	104.7	169	-68.2	173.8	0	0	0	106.9	A13 S17	A13-L15 PolarHBondContact O-N 3.15Å; A13-L15 VanDerWaalsContact O-N 3.15Å; L15-S17 PolarHBondContact O-N 2.78Å; L15-S17 VanDerWaalsContact O-N 3.1Å
16	A	58.4	Low	70.3	Confident	90 Å²	90	115.5 Å²	115.5	74%	0.744	68%	0.679	S	S	*	*			trans	-55.1	116.8	163.6	0	0	0	0	0	106.6	V14 D18	V14-A16 PolarHBondContact O-N 3.17Å; A16-D18 VanDerWaalsContact C-N 3.3Å; A16-D18 PolarHBondContact O-N 2.94Å
17	S	59.4	Low	71.9	Confident	112 Å²	112	108.1 Å²	108.1	78%	0.783	64%	0.64	S	S	*	*			trans	-61.3	101.6	166.9	55.2	0	0	0	0	106.3	L15 D19	L15-S17 PolarHBondContact O-N 2.78Å; L15-S17 VanDerWaalsContact O-N 3.1Å; S17-D19 PolarHBondContact O-N 3.31Å
18	D	59.5	Low	73.5	Confident	148 Å²	148	102.7 Å²	102.7	79%	0.791	62%	0.617	S	S	*	*			trans	-51.2	130.5	165.9	-151	0.6	0	0	0	106.3	A16 L20	A16-D18 VanDerWaalsContact C-N 3.3Å; A16-D18 PolarHBondContact O-N 2.94Å; D18-L20 PolarHBondContact O-N 2.88Å
19	D	64.8	Low	75.2	Confident	118 Å²	118	98.9 Å²	98.9	63%	0.631	60%	0.595	S	S	*	*			trans	-64.4	72.3	-178.6	-100.1	-36.1	0	0	0	108.1	S17 N21 K31	S17-D19 PolarHBondContact O-N 3.31Å; D19-N21 PolarHBondContact O-N 3.33Å; D19-N21 VanDerWaalsContact O-N 3.09Å; D19-K31 IonicContact OD1-NZ 2.78Å; D19-K31 PolarHBondContact OD1-NZ 3.24Å; D19-K31 IonicContact OD2-NZ 3.88Å; D19-K31 PolarHBondContact OD2-NZ 3.1Å
20	L	75.4	Confident	76.7	Confident	151 Å²	151	93.9 Å²	93.9	79%	0.791	56%	0.563	S	S	*	*			trans	-68	113.3	-178.8	-166.9	80.9	0	0	0	106.7	D18 P22	D18-L20 PolarHBondContact O-N 2.88Å; L20-P22 WeakPolarHBondContact O-CD 3.16Å
21	N	82.9	Confident	78.1	Confident	77 Å²	77	91.5 Å²	91.5	41%	0.412	55%	0.552	S	S	.	*			trans	-57.8	111.7	173.7	179	-3.8	0	0	0	108.4	D19 C23 F29	D19-N21 PolarHBondContact O-N 3.33Å; D19-N21 VanDerWaalsContact O-N 3.09Å; N21-C23 PolarHBondContact O-N 3.21Å; N21-C23 WeakPolarHBondContact OD1-CB 2.99Å; N21-C23 PolarHBondContact OD1-N 3.11Å; N21-C23 PolarHBondContact OD1-SG 3.21Å; N21-C23 VanDerWaalsContact OD1-SG 3.37Å; N21-F29 VanDerWaalsContact OD1-CB 3.31Å; N21-F29 WeakPolarHBondContact OD1-CB 3.33Å
22	P	89.9	Confident	79.7	Confident	59 Å²	59	92.4 Å²	92.4	38%	0.383	54%	0.538	S	S	.	.			trans	-78.7	-1.1	-176.5	35.7	-36.8	0	0	0	112.1	L20 F29 P160	L20-P22 WeakPolarHBondContact O-CD 3.16Å; P22-F29 HydrophobicContact CG-CD2 3.71Å; P22-F29 HydrophobicContact CG-CE1 4.44Å; P22-F29 HydrophobicContact CG-CE2 3.4Å; P22-F29 HydrophobicContact CG-CG 4.34Å; P22-F29 HydrophobicContact CG-CZ 3.82Å; P22-P160 HydrophobicContact CB-CB 4.1Å; P22-P160 HydrophobicContact CB-CG 3.9Å; P22-P160 HydrophobicContact CG-CG 4.09Å
23	C	93.8	Very high	81.1	Confident	13 Å²	13	88.2 Å²	88.2	9%	0.088	51%	0.508	C	S	.	.	S	Bend	trans	-85.3	153	179	-51.8	0	0	0	0	112	N21 W27 F29 C36 Y158	N21-C23 PolarHBondContact O-N 3.21Å; N21-C23 WeakPolarHBondContact OD1-CB 2.99Å; N21-C23 PolarHBondContact OD1-N 3.11Å; N21-C23 PolarHBondContact OD1-SG 3.21Å; N21-C23 VanDerWaalsContact OD1-SG 3.37Å; C23-W27 HydrophobicContact CB-CB 3.87Å; C23-F29 VanDerWaalsContact SG-CA 3.56Å; C23-F29 WeakPolarHBondContact SG-CB 3.27Å; C23-F29 VanDerWaalsContact SG-CD2 3.59Å; C23-C36 WeakPolarHBondContact CA-SG 3.48Å; C23-C36 HydrophobicContact CB-CB 3.74Å; C23-C36 WeakPolarHBondContact CB-SG 3.13Å; C23-C36 WeakPolarHBondContact SG-CA 3.39Å; C23-C36 WeakPolarHBondContact SG-CB 3.47Å; C23-C36 CovalentContact SG-SG 2.01Å; C23-C36 PolarHBondContact SG-SG 3.43Å; C23-Y158 WeakPolarHBondContact CA-OH 3.44Å
24	N	87.1	Confident	82.7	Confident	80 Å²	80	85.4 Å²	85.4	43%	0.428	49%	0.487	S	S	.	.			trans	-60	148	164.9	-173.8	-18	0	0	0	109.3	S26 W27 Y158	N24-S26 PolarHBondContact O-N 3.36Å; N24-W27 WeakPolarHBondContact O-CB 3.39Å; N24-W27 PolarHBondContact O-N 3.09Å; N24-Y158 PolarHBondContact N-OH 3.24Å; N24-Y158 VanDerWaalsContact N-OH 3.08Å
25	S	84.3	Confident	84.2	Confident	118 Å²	118	79.1 Å²	79.1	83%	0.825	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-21.1	-165.9	60.9	0	0	0	0	115.8
26	S	93.5	Very high	86	Confident	55 Å²	55	71.4 Å²	71.4	39%	0.385	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	5.2	176.9	65.2	0	0	0	0	115	N24 K38	N24-S26 PolarHBondContact O-N 3.36Å; S26-K38 WeakPolarHBondContact O-CD 3.38Å; S26-K38 PolarHBondContact OG-NZ 3.43Å; S26-K38 VanDerWaalsContact OG-NZ 3.08Å
27	W	96.8	Very high	87.9	Confident	6 Å²	6	67.1 Å²	67.1	2%	0.023	37%	0.374	C	S	.	.	S	Bend	trans	-110.4	142.9	-179	-68	73.7	0	0	0	110.8	C23 N24 C36 K38 M56 Q57 A60 C156 Y158	C23-W27 HydrophobicContact CB-CB 3.87Å; N24-W27 WeakPolarHBondContact O-CB 3.39Å; N24-W27 PolarHBondContact O-N 3.09Å; W27-C36 HydrophobicContact CB-CB 4.16Å; W27-C36 HydrophobicContact CE3-CB 4.16Å; W27-K38 HydrophobicContact CD2-CB 3.43Å; W27-K38 VanDerWaalsContact CD2-CB 3.43Å; W27-K38 HydrophobicContact CD2-CD 4.16Å; W27-K38 HydrophobicContact CD2-CG 4.38Å; W27-K38 HydrophobicContact CE3-CB 3.36Å; W27-K38 HydrophobicContact CG-CB 4.03Å; W27-K38 HydrophobicContact CG-CD 4.29Å; W27-K38 HydrophobicContact CH2-CB 4.02Å; W27-K38 HydrophobicContact CZ2-CB 4.11Å; W27-K38 HydrophobicContact CZ2-CD 4.4Å; W27-K38 HydrophobicContact CZ3-CB 3.66Å; W27-M56 HydrophobicContact CH2-CE 4.17Å; W27-M56 HydrophobicContact CZ2-CB 3.81Å; W27-M56 HydrophobicContact CZ2-CE 4.29Å; W27-Q57 HydrophobicContact CH2-CB 4.11Å; W27-Q57 HydrophobicContact CZ2-CB 3.51Å; W27-Q57 HydrophobicContact CZ2-CG 4.48Å; W27-A60 HydrophobicContact CH2-CB 3.83Å; W27-C156 HydrophobicContact CH2-CB 3.73Å; W27-C156 HydrophobicContact CZ3-CB 3.88Å; W27-Y158 HydrophobicContact CD2-CD1 4.12Å; W27-Y158 AromaticContact CD2-CE1 3.5Å; W27-Y158 HydrophobicContact CD2-CE1 3.5Å; W27-Y158 AromaticContact CE2-CE1 3.85Å; W27-Y158 AromaticContact CE3-CD1 3.69Å; W27-Y158 HydrophobicContact CE3-CD1 3.69Å; W27-Y158 AromaticContact CE3-CE1 3.5Å; W27-Y158 HydrophobicContact CE3-CE1 3.5Å; W27-Y158 VanDerWaalsContact CE3-CE1 3.5Å; W27-Y158 AromaticContact CG-CE1 3.98Å; W27-Y158 HydrophobicContact CG-CE1 3.98Å; W27-Y158 AromaticContact CH2-CD1 3.95Å; W27-Y158 HydrophobicContact CH2-CD1 3.95Å; W27-Y158 HydrophobicContact CH2-CE1 4.24Å; W27-Y158 HydrophobicContact CZ2-CD1 4.32Å; W27-Y158 HydrophobicContact CZ2-CE1 4.21Å; W27-Y158 AromaticContact CZ3-CD1 3.61Å; W27-Y158 HydrophobicContact CZ3-CD1 3.61Å; W27-Y158 AromaticContact CZ3-CE1 3.9Å; W27-Y158 HydrophobicContact CZ3-CE1 3.9Å
28	H	96.7	Very high	89.8	Confident	77 Å²	77	63.6 Å²	63.6	36%	0.356	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	120.1	178.8	-61.6	-79.2	0	0	0	110.4	C36 Y37 F73 S77 H78	H28-C36 CarbonylContact O-C 3.58Å; H28-C36 WeakPolarHBondContact O-CA 3.26Å; H28-Y37 PolarHBondContact N-O 2.65Å; H28-Y37 PolarHBondContact O-N 3.06Å; H28-F73 HydrophobicContact CB-CE1 4.18Å; H28-F73 HydrophobicContact CB-CZ 3.79Å; H28-S77 PolarHBondContact CE1-O 3.39Å; H28-S77 PolarHBondContact NE2-O 3.05Å; H28-H78 AromaticContact CD2-CE1 3.66Å; H28-H78 AromaticContact CD2-NE2 3.68Å
29	F	96	Very high	91.6	Very high	60 Å²	60	57.8 Å²	57.8	26%	0.263	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	128.7	176.6	-178.2	-128.3	0	0	0	111.7	N21 P22 C23 K31 C35 F73	N21-F29 VanDerWaalsContact OD1-CB 3.31Å; N21-F29 WeakPolarHBondContact OD1-CB 3.33Å; P22-F29 HydrophobicContact CG-CD2 3.71Å; P22-F29 HydrophobicContact CG-CE1 4.44Å; P22-F29 HydrophobicContact CG-CE2 3.4Å; P22-F29 HydrophobicContact CG-CG 4.34Å; P22-F29 HydrophobicContact CG-CZ 3.82Å; C23-F29 VanDerWaalsContact SG-CA 3.56Å; C23-F29 WeakPolarHBondContact SG-CB 3.27Å; C23-F29 VanDerWaalsContact SG-CD2 3.59Å; F29-K31 HydrophobicContact CE1-CB 4.09Å; F29-K31 HydrophobicContact CE1-CG 4.43Å; F29-C35 WeakPolarHBondContact CD2-O 3.44Å; F29-F73 WeakPolarHBondContact O-CE2 3.5Å; F29-F73 VanDerWaalsContact O-CZ 3.26Å; F29-F73 WeakPolarHBondContact O-CZ 3.18Å
30	F	96.3	Very high	93.1	Very high	27 Å²	27	52.2 Å²	52.2	12%	0.118	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	103.5	170	-167.1	-146.9	0	0	0	111.1	K32 T33 G34 C35 Y37 D69 E70 F73	F30-K32 HydrophobicContact CD1-CB 4.26Å; F30-K32 HydrophobicContact CD2-CB 4.42Å; F30-K32 HydrophobicContact CE1-CB 3.73Å; F30-K32 HydrophobicContact CE1-CD 4.25Å; F30-K32 HydrophobicContact CE2-CB 3.93Å; F30-K32 HydrophobicContact CZ-CB 3.55Å; F30-K32 HydrophobicContact CZ-CD 3.95Å; F30-K32 HydrophobicContact CZ-CG 4.37Å; F30-K32 PolarHBondContact O-N 3.37Å; F30-K32 VanDerWaalsContact O-N 3.13Å; F30-T33 HydrophobicContact CD1-CG2 3.52Å; F30-T33 HydrophobicContact CE1-CG2 3.83Å; F30-T33 PolarHBondContact O-N 2.89Å; F30-T33 PolarHBondContact O-OG1 3.04Å; F30-G34 PolarHBondContact O-N 2.92Å; F30-C35 PolarHBondContact N-O 2.83Å; F30-Y37 HydrophobicContact CB-CD2 4.16Å; F30-Y37 HydrophobicContact CB-CE2 3.59Å; F30-D69 HydrophobicContact CZ-CB 4.12Å; F30-E70 HydrophobicContact CD1-CB 4.26Å; F30-E70 HydrophobicContact CD1-CG 4.14Å; F30-E70 HydrophobicContact CE1-CB 3.78Å; F30-E70 HydrophobicContact CE1-CG 4.18Å; F30-F73 HydrophobicContact CB-CD1 3.69Å; F30-F73 HydrophobicContact CB-CD2 4.28Å; F30-F73 HydrophobicContact CB-CE1 3.55Å; F30-F73 HydrophobicContact CB-CE2 4.12Å; F30-F73 HydrophobicContact CB-CG 4.06Å; F30-F73 HydrophobicContact CB-CZ 3.76Å; F30-F73 HydrophobicContact CD1-CB 4.35Å; F30-F73 HydrophobicContact CD1-CD1 4.21Å; F30-F73 HydrophobicContact CD1-CG 4.24Å; F30-F73 HydrophobicContact CD2-CB 3.9Å; F30-F73 HydrophobicContact CD2-CD1 4.02Å; F30-F73 AromaticContact CD2-CD2 3.4Å; F30-F73 HydrophobicContact CD2-CD2 3.4Å; F30-F73 VanDerWaalsContact CD2-CD2 3.4Å; F30-F73 HydrophobicContact CD2-CE1 4.47Å; F30-F73 AromaticContact CD2-CE2 3.88Å; F30-F73 HydrophobicContact CD2-CE2 3.88Å; F30-F73 AromaticContact CD2-CG 3.47Å; F30-F73 HydrophobicContact CD2-CG 3.47Å; F30-F73 VanDerWaalsContact CD2-CG 3.47Å; F30-F73 HydrophobicContact CD2-CZ 4.39Å; F30-F73 HydrophobicContact CE1-CB 4.33Å; F30-F73 HydrophobicContact CE2-CB 3.85Å; F30-F73 AromaticContact CE2-CD2 3.98Å; F30-F73 HydrophobicContact CE2-CD2 3.98Å; F30-F73 AromaticContact CE2-CG 3.95Å; F30-F73 HydrophobicContact CE2-CG 3.95Å; F30-F73 HydrophobicContact CG-CB 4.18Å; F30-F73 AromaticContact CG-CD1 3.72Å; F30-F73 HydrophobicContact CG-CD1 3.72Å; F30-F73 AromaticContact CG-CD2 3.98Å; F30-F73 HydrophobicContact CG-CD2 3.98Å; F30-F73 HydrophobicContact CG-CE1 4.1Å; F30-F73 HydrophobicContact CG-CE2 4.3Å; F30-F73 AromaticContact CG-CG 3.66Å; F30-F73 HydrophobicContact CG-CG 3.66Å; F30-F73 HydrophobicContact CG-CZ 4.35Å; F30-F73 HydrophobicContact CZ-CB 4.07Å
31	K	94	Very high	94	Very high	136 Å²	136	50.4 Å²	50.4	59%	0.591	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-36	-176.5	-171.8	167.8	-176.6	159.6	0	113.6	D19 F29 T33 G34	D19-K31 IonicContact OD1-NZ 2.78Å; D19-K31 PolarHBondContact OD1-NZ 3.24Å; D19-K31 IonicContact OD2-NZ 3.88Å; D19-K31 PolarHBondContact OD2-NZ 3.1Å; F29-K31 HydrophobicContact CE1-CB 4.09Å; F29-K31 HydrophobicContact CE1-CG 4.43Å; K31-T33 VanDerWaalsContact C-N 3.29Å; K31-T33 PolarHBondContact O-N 3.08Å; K31-G34 PolarHBondContact O-N 3.05Å
32	K	94.7	Very high	94.6	Very high	114 Å²	114	51 Å²	51	50%	0.496	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-32.4	-179.5	-166.1	-176	-177.1	-166.7	0	112.8	F30 D67 D69	F30-K32 HydrophobicContact CD1-CB 4.26Å; F30-K32 HydrophobicContact CD2-CB 4.42Å; F30-K32 HydrophobicContact CE1-CB 3.73Å; F30-K32 HydrophobicContact CE1-CD 4.25Å; F30-K32 HydrophobicContact CE2-CB 3.93Å; F30-K32 HydrophobicContact CZ-CB 3.55Å; F30-K32 HydrophobicContact CZ-CD 3.95Å; F30-K32 HydrophobicContact CZ-CG 4.37Å; F30-K32 PolarHBondContact O-N 3.37Å; F30-K32 VanDerWaalsContact O-N 3.13Å; K32-D67 IonicContact NZ-OD1 3.87Å; K32-D67 IonicContact NZ-OD2 2.77Å; K32-D67 PolarHBondContact NZ-OD2 2.95Å; K32-D69 HydrophobicContact CD-CB 4.22Å; K32-D69 IonicContact NZ-OD2 2.69Å; K32-D69 PolarHBondContact NZ-OD2 3.12Å
33	T	94.5	Very high	95	Very high	24 Å²	24	53.9 Å²	53.9	15%	0.147	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-17.9	-179.2	63.7	0	0	0	0	113	F30 K31 C35 Y37 R66 E70	F30-T33 HydrophobicContact CD1-CG2 3.52Å; F30-T33 HydrophobicContact CE1-CG2 3.83Å; F30-T33 PolarHBondContact O-N 2.89Å; F30-T33 PolarHBondContact O-OG1 3.04Å; K31-T33 VanDerWaalsContact C-N 3.29Å; K31-T33 PolarHBondContact O-N 3.08Å; T33-C35 PolarHBondContact O-N 3.08Å; T33-C35 PolarHBondContact O-SG 2.66Å; T33-C35 WeakPolarHBondContact OG1-CB 3.28Å; T33-C35 PolarHBondContact OG1-N 3.06Å; T33-Y37 PolarHBondContact OG1-OH 3.48Å; T33-R66 VanDerWaalsContact CG2-NH2 3.31Å; T33-E70 HydrophobicContact CG2-CG 4.23Å
34	G	94.3	Very high	95.2	Very high	30 Å²	30	53.3 Å²	53.3	31%	0.309	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	18.4	-171.4	0	0	0	0	0	112.6	F30 K31 P160	F30-G34 PolarHBondContact O-N 2.92Å; K31-G34 PolarHBondContact O-N 3.05Å; G34-P160 WeakPolarHBondContact O-CD 3.37Å
35	C	96.7	Very high	95.7	Very high	4 Å²	4	50.3 Å²	50.3	3%	0.027	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	161.9	-174.2	-52.4	0	0	0	0	112.1	F29 F30 T33 Y37 K157 Y158 C159	F29-C35 WeakPolarHBondContact CD2-O 3.44Å; F30-C35 PolarHBondContact N-O 2.83Å; T33-C35 PolarHBondContact O-N 3.08Å; T33-C35 PolarHBondContact O-SG 2.66Å; T33-C35 WeakPolarHBondContact OG1-CB 3.28Å; T33-C35 PolarHBondContact OG1-N 3.06Å; C35-Y37 HydrophobicContact CB-CE2 3.82Å; C35-Y37 WeakPolarHBondContact O-CE2 3.35Å; C35-K157 HydrophobicContact CB-CG 4.12Å; C35-Y158 CarbonylContact C-O 3.55Å; C35-Y158 WeakPolarHBondContact CA-O 3.3Å; C35-Y158 WeakPolarHBondContact CB-O 3.43Å; C35-C159 HydrophobicContact CB-CB 3.99Å; C35-C159 WeakPolarHBondContact CB-SG 3.34Å; C35-C159 WeakPolarHBondContact SG-CB 3.41Å; C35-C159 CovalentContact SG-SG 2.04Å; C35-C159 PolarHBondContact SG-SG 3.37Å
36	C	97.8	Very high	96.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.6	-176.2	-57.9	0	0	0	0	109.7	C23 W27 H28 K157 Y158	C23-C36 WeakPolarHBondContact CA-SG 3.48Å; C23-C36 HydrophobicContact CB-CB 3.74Å; C23-C36 WeakPolarHBondContact CB-SG 3.13Å; C23-C36 WeakPolarHBondContact SG-CA 3.39Å; C23-C36 WeakPolarHBondContact SG-CB 3.47Å; C23-C36 CovalentContact SG-SG 2.01Å; C23-C36 PolarHBondContact SG-SG 3.43Å; W27-C36 HydrophobicContact CB-CB 4.16Å; W27-C36 HydrophobicContact CE3-CB 4.16Å; H28-C36 CarbonylContact O-C 3.58Å; H28-C36 WeakPolarHBondContact O-CA 3.26Å; C36-K157 WeakPolarHBondContact O-CA 3.45Å; C36-Y158 HydrophobicContact CB-CD1 3.68Å; C36-Y158 HydrophobicContact CB-CD2 4.45Å; C36-Y158 HydrophobicContact CB-CE1 3.23Å; C36-Y158 HydrophobicContact CB-CE2 4.09Å; C36-Y158 HydrophobicContact CB-CG 4.27Å; C36-Y158 VanDerWaalsContact CB-CZ 3.47Å; C36-Y158 PolarHBondContact N-O 3.48Å; C36-Y158 PolarHBondContact O-N 2.93Å; C36-Y158 VanDerWaalsContact O-N 3.11Å; C36-Y158 VanDerWaalsContact SG-CZ 3.57Å
37	Y	98.3	Very high	96.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.1	-174.7	-55.5	-103.1	0	0	0	111.5	H28 F30 T33 C35 A63 E70 F73 V74 C156 K157	H28-Y37 PolarHBondContact N-O 2.65Å; H28-Y37 PolarHBondContact O-N 3.06Å; F30-Y37 HydrophobicContact CB-CD2 4.16Å; F30-Y37 HydrophobicContact CB-CE2 3.59Å; T33-Y37 PolarHBondContact OG1-OH 3.48Å; C35-Y37 HydrophobicContact CB-CE2 3.82Å; C35-Y37 WeakPolarHBondContact O-CE2 3.35Å; Y37-A63 HydrophobicContact CD1-CB 4.49Å; Y37-E70 HydrophobicContact CE1-CG 4.31Å; Y37-E70 PolarHBondContact OH-OE1 3.39Å; Y37-F73 HydrophobicContact CD2-CD1 4.32Å; Y37-F73 AromaticContact CD2-CE1 3.71Å; Y37-F73 HydrophobicContact CD2-CE1 3.71Å; Y37-F73 HydrophobicContact CE2-CE1 4.27Å; Y37-F73 HydrophobicContact CG-CE1 4.26Å; Y37-V74 HydrophobicContact CD1-CG1 3.49Å; Y37-V74 VanDerWaalsContact CD1-CG1 3.49Å; Y37-V74 HydrophobicContact CE1-CG1 3.98Å; Y37-V74 HydrophobicContact CG-CG1 3.85Å; Y37-C156 VanDerWaalsContact CA-O 3.27Å; Y37-C156 WeakPolarHBondContact CA-O 3.31Å; Y37-K157 HydrophobicContact CD1-CB 4.16Å; Y37-K157 HydrophobicContact CD1-CG 4.23Å; Y37-K157 HydrophobicContact CE1-CB 4.13Å; Y37-K157 HydrophobicContact CE1-CD 3.71Å; Y37-K157 HydrophobicContact CE1-CG 3.78Å; Y37-K157 WeakPolarHBondContact OH-CE 3.48Å
38	K	97.4	Very high	96.6	Very high	38 Å²	38	51.8 Å²	51.8	17%	0.165	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	145.3	174.3	-166.1	-178.3	176.4	-176.8	0	109.7	S26 W27 M56 H78 C156	S26-K38 WeakPolarHBondContact O-CD 3.38Å; S26-K38 PolarHBondContact OG-NZ 3.43Å; S26-K38 VanDerWaalsContact OG-NZ 3.08Å; W27-K38 HydrophobicContact CD2-CB 3.43Å; W27-K38 VanDerWaalsContact CD2-CB 3.43Å; W27-K38 HydrophobicContact CD2-CD 4.16Å; W27-K38 HydrophobicContact CD2-CG 4.38Å; W27-K38 HydrophobicContact CE3-CB 3.36Å; W27-K38 HydrophobicContact CG-CB 4.03Å; W27-K38 HydrophobicContact CG-CD 4.29Å; W27-K38 HydrophobicContact CH2-CB 4.02Å; W27-K38 HydrophobicContact CZ2-CB 4.11Å; W27-K38 HydrophobicContact CZ2-CD 4.4Å; W27-K38 HydrophobicContact CZ3-CB 3.66Å; K38-M56 HydrophobicContact CD-SD 4.14Å; K38-H78 WeakPolarHBondContact CA-NE2 3.4Å; K38-H78 PolarHBondContact N-NE2 2.87Å; K38-C156 PolarHBondContact N-O 3.38Å; K38-C156 VanDerWaalsContact N-O 3.16Å; K38-C156 WeakPolarHBondContact O-CA 3.21Å; K38-C156 VanDerWaalsContact O-CB 3.24Å; K38-C156 WeakPolarHBondContact O-CB 3.27Å; K38-C156 PolarHBondContact O-N 2.69Å
39	T	97.6	Very high	96.7	Very high	26 Å²	26	48.1 Å²	48.1	16%	0.16	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	144.7	166.1	52.9	0	0	0	0	111.1	H78 I85 A87 A154 L155	T39-H78 HydrophobicContact CG2-CB 4.44Å; T39-I85 HydrophobicContact CG2-CD1 4.09Å; T39-I85 HydrophobicContact CG2-CG1 4.28Å; T39-A87 HydrophobicContact CG2-CB 4.14Å; T39-A154 CarbonylContact C-O 3.6Å; T39-A154 WeakPolarHBondContact CA-O 2.96Å; T39-L155 HydrophobicContact CG2-CD1 4.41Å
40	S	97.3	Very high	96.8	Very high	1 Å²	1	48 Å²	48	1%	0.007	25%	0.245	C	C	.	.			trans	-59.9	149.6	173.2	64.1	0	0	0	0	112.8	D42 K153 A154	S40-D42 PolarHBondContact OG-O 2.85Å; S40-K153 VanDerWaalsContact O-CD 3.24Å; S40-K153 WeakPolarHBondContact O-CD 2.91Å; S40-K153 WeakPolarHBondContact O-CE 3.37Å; S40-K153 WeakPolarHBondContact O-CG 3.08Å; S40-K153 WeakPolarHBondContact OG-CA 3.29Å; S40-A154 PolarHBondContact N-O 2.85Å; S40-A154 PolarHBondContact OG-N 3.13Å
41	D	94.5	Very high	96.9	Very high	113 Å²	113	48.7 Å²	48.7	60%	0.604	26%	0.259	S	S	*	.	S	Bend	trans	-73.2	-42.1	170.8	-60.1	-41.1	0	0	0	110.2
42	D	96	Very high	97.1	Very high	90 Å²	90	42.9 Å²	42.9	48%	0.481	23%	0.234	S	C	.	.	S	Bend	trans	-75.7	159.3	175.7	-64.1	-29	0	0	0	112.7	S40 M52	S40-D42 PolarHBondContact OG-O 2.85Å; D42-M52 HydrophobicContact CB-SD 4.41Å
43	M	97.9	Very high	97.2	Very high	119 Å²	119	37.4 Å²	37.4	59%	0.586	21%	0.211	S	C	*	.			trans	-115.1	148.8	168.1	-64.3	-173	179.2	0	0	111.4	M52 R152 K153	M43-M52 VanDerWaalsContact C-CE 3.42Å; M43-R152 CarbonylContact C-O 3.54Å; M43-R152 VanDerWaalsContact CA-O 3.27Å; M43-R152 WeakPolarHBondContact CA-O 3.32Å; M43-K153 HydrophobicContact CE-CG 4.33Å; M43-K153 HydrophobicContact CG-CG 4.09Å
44	G	98.1	Very high	97.4	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-175	-166.5	171.8	0	0	0	0	0	112.4	W88 H150 Y151 R152	G44-W88 PolarHBondContact O-NE1 3.07Å; G44-W88 VanDerWaalsContact O-NE1 3.12Å; G44-H150 VanDerWaalsContact O-O 3.07Å; G44-Y151 WeakPolarHBondContact O-CA 2.99Å; G44-R152 PolarHBondContact N-O 2.97Å; G44-R152 PolarHBondContact O-N 2.03Å
45	T	97.9	Very high	97.5	Very high	17 Å²	17	45.1 Å²	45.1	10%	0.104	24%	0.244	C	C	.	.			trans	-72.8	167.8	-179.1	71.5	0	0	0	0	110.7	F47 D48 C148 Y149 Y151	T45-F47 PolarHBondContact O-N 3.16Å; T45-F47 PolarHBondContact OG1-N 2.89Å; T45-D48 WeakPolarHBondContact CB-OD2 3.42Å; T45-D48 PolarHBondContact N-OD2 3.18Å; T45-D48 PolarHBondContact O-N 2.87Å; T45-D48 VanDerWaalsContact O-N 3.11Å; T45-D48 PolarHBondContact OG1-OD2 3.49Å; T45-C148 WeakPolarHBondContact CB-O 3.16Å; T45-Y149 HydrophobicContact CG2-CD1 4.44Å; T45-Y151 HydrophobicContact CG2-CD2 4.49Å; T45-Y151 HydrophobicContact CG2-CE2 4.07Å
46	W	97.7	Very high	97.5	Very high	28 Å²	28	46.9 Å²	46.9	11%	0.106	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-57.9	-36.3	175.6	-176.1	88.8	0	0	0	111.8	D48 G49 L62 W88 T89 T103 C125 C148	W46-D48 PolarHBondContact O-N 2.01Å; W46-G49 PolarHBondContact O-N 2.67Å; W46-G49 VanDerWaalsContact O-N 3.07Å; W46-L62 HydrophobicContact CD2-CD1 4.45Å; W46-L62 HydrophobicContact CZ2-CD1 4.34Å; W46-W88 HydrophobicContact CB-CD2 4Å; W46-W88 HydrophobicContact CB-CE3 4.35Å; W46-W88 HydrophobicContact CB-CG 4.32Å; W46-W88 HydrophobicContact CB-CZ2 4.34Å; W46-W88 AromaticContact CD1-CD2 3.88Å; W46-W88 AromaticContact CD1-CE3 3.77Å; W46-W88 HydrophobicContact CG-CD2 4.38Å; W46-W88 HydrophobicContact CG-CE3 4.47Å; W46-T89 PolarHBondContact NE1-O 3.41Å; W46-T103 HydrophobicContact CH2-CG2 3.41Å; W46-T103 VanDerWaalsContact CH2-CG2 3.41Å; W46-T103 HydrophobicContact CZ2-CG2 3.46Å; W46-T103 VanDerWaalsContact CZ2-CG2 3.46Å; W46-T103 HydrophobicContact CZ3-CG2 4.49Å; W46-C125 HydrophobicContact CB-CB 3.8Å; W46-C125 VanDerWaalsContact CB-SG 3.6Å; W46-C125 VanDerWaalsContact CD1-CB 3.48Å; W46-C125 HydrophobicContact CD2-CB 4.09Å; W46-C125 HydrophobicContact CG-CB 3.49Å; W46-C125 VanDerWaalsContact CG-CB 3.49Å; W46-C148 HydrophobicContact CB-CB 4.16Å; W46-C148 PolarHBondContact N-O 2.84Å
47	F	97.1	Very high	97.4	Very high	108 Å²	108	49.5 Å²	49.5	47%	0.474	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-63.5	-28.8	179.6	-57.1	-70.9	0	0	0	113.1	T45 G49 C148 Y149	T45-F47 PolarHBondContact O-N 3.16Å; T45-F47 PolarHBondContact OG1-N 2.89Å; F47-G49 VanDerWaalsContact C-N 3.33Å; F47-C148 HydrophobicContact CE2-CB 3.86Å; F47-C148 HydrophobicContact CZ-CB 4.07Å; F47-Y149 HydrophobicContact CD2-CE1 4.29Å; F47-Y149 HydrophobicContact CE2-CD1 4.37Å; F47-Y149 AromaticContact CE2-CE1 3.8Å; F47-Y149 HydrophobicContact CE2-CE1 3.8Å; F47-Y149 HydrophobicContact CE2-CE2 4.3Å; F47-Y149 AromaticContact CE2-CZ 3.77Å
48	D	98.2	Very high	97.2	Very high	74 Å²	74	55.7 Å²	55.7	40%	0.396	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-79.6	-18.8	178.2	-54.4	-56.4	0	0	0	112.3	T45 W46 T50 G51 M52	T45-D48 WeakPolarHBondContact CB-OD2 3.42Å; T45-D48 PolarHBondContact N-OD2 3.18Å; T45-D48 PolarHBondContact O-N 2.87Å; T45-D48 VanDerWaalsContact O-N 3.11Å; T45-D48 PolarHBondContact OG1-OD2 3.49Å; W46-D48 PolarHBondContact O-N 2.01Å; D48-T50 PolarHBondContact O-N 2.77Å; D48-G51 WeakPolarHBondContact O-CA 3.49Å; D48-G51 PolarHBondContact O-N 2.81Å; D48-M52 HydrophobicContact CB-CE 3.39Å; D48-M52 PolarHBondContact O-N 2.79Å
49	G	98.2	Very high	97.1	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.5	-44.6	-164.5	0	0	0	0	0	114.4	W46 F47 G51 M52 C53	W46-G49 PolarHBondContact O-N 2.67Å; W46-G49 VanDerWaalsContact O-N 3.07Å; F47-G49 VanDerWaalsContact C-N 3.33Å; G49-G51 VanDerWaalsContact C-N 3.28Å; G49-G51 PolarHBondContact O-N 2.79Å; G49-M52 WeakPolarHBondContact O-CB 3.47Å; G49-M52 PolarHBondContact O-N 3Å; G49-C53 PolarHBondContact O-N 2.85Å; G49-C53 PolarHBondContact O-SG 3.05Å
50	T	97.8	Very high	97.1	Very high	58 Å²	58	55 Å²	55	36%	0.356	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-38.6	176.8	-62.1	0	0	0	0	111.2	D48 C53 A54 R61	D48-T50 PolarHBondContact O-N 2.77Å; T50-C53 PolarHBondContact O-N 3.04Å; T50-A54 WeakPolarHBondContact O-CB 3.33Å; T50-A54 PolarHBondContact O-N 3.27Å; T50-R61 HydrophobicContact CG2-CB 4.05Å
51	G	98	Very high	97.1	Very high	41 Å²	41	60 Å²	60	42%	0.423	33%	0.329	S	S	.	.	H	α-helix	trans	-64.7	-40.9	174.9	0	0	0	0	0	112.6	D48 G49 C53 A54 K55	D48-G51 WeakPolarHBondContact O-CA 3.49Å; D48-G51 PolarHBondContact O-N 2.81Å; G49-G51 VanDerWaalsContact C-N 3.28Å; G49-G51 PolarHBondContact O-N 2.79Å; G51-C53 VanDerWaalsContact C-N 3.34Å; G51-C53 PolarHBondContact O-N 3.42Å; G51-A54 PolarHBondContact O-N 3.45Å; G51-K55 WeakPolarHBondContact O-CG 3.43Å; G51-K55 PolarHBondContact O-N 3.02Å
52	M	98.3	Very high	97.3	Very high	14 Å²	14	54.7 Å²	54.7	7%	0.069	30%	0.3	C	S	.	.	H	α-helix	trans	-60.7	-43	174.3	-65.3	176.3	-167.6	0	0	112	D42 M43 D48 G49 K55 A154	D42-M52 HydrophobicContact CB-SD 4.41Å; M43-M52 VanDerWaalsContact C-CE 3.42Å; D48-M52 HydrophobicContact CB-CE 3.39Å; D48-M52 PolarHBondContact O-N 2.79Å; G49-M52 WeakPolarHBondContact O-CB 3.47Å; G49-M52 PolarHBondContact O-N 3Å; M52-K55 PolarHBondContact O-N 3.08Å; M52-A154 HydrophobicContact CB-CB 4.33Å; M52-A154 HydrophobicContact SD-CB 4.26Å
53	C	98.4	Very high	97.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-45	177.9	-61.9	0	0	0	0	112.2	G49 T50 G51 K55 M56 Q57 A60 C156	G49-C53 PolarHBondContact O-N 2.85Å; G49-C53 PolarHBondContact O-SG 3.05Å; T50-C53 PolarHBondContact O-N 3.04Å; G51-C53 VanDerWaalsContact C-N 3.34Å; G51-C53 PolarHBondContact O-N 3.42Å; C53-K55 PolarHBondContact O-N 3.25Å; C53-M56 PolarHBondContact O-N 3.31Å; C53-Q57 PolarHBondContact O-N 2.87Å; C53-A60 HydrophobicContact CB-CB 4.17Å; C53-C156 WeakPolarHBondContact CA-SG 3.33Å; C53-C156 HydrophobicContact CB-CB 3.57Å; C53-C156 WeakPolarHBondContact CB-SG 3.28Å; C53-C156 WeakPolarHBondContact SG-CA 3.47Å; C53-C156 WeakPolarHBondContact SG-CB 3.24Å; C53-C156 CovalentContact SG-SG 2.03Å; C53-C156 PolarHBondContact SG-SG 3.06Å
54	A	97.3	Very high	97.4	Very high	55 Å²	55	44.8 Å²	44.8	46%	0.455	25%	0.25	S	C	.	.	H	α-helix	trans	-62.5	-29	-179.9	0	0	0	0	0	113.2	T50 G51 A60	T50-A54 WeakPolarHBondContact O-CB 3.33Å; T50-A54 PolarHBondContact O-N 3.27Å; G51-A54 PolarHBondContact O-N 3.45Å; A54-A60 PolarHBondContact N-O 3.19Å
55	K	97.2	Very high	97.4	Very high	160 Å²	160	44.9 Å²	44.9	70%	0.696	25%	0.25	S	S	*	.	H	α-helix	trans	-67.3	-33.3	173.5	-71.7	172.9	-176.4	178.5	0	113.1	G51 M52 C53	G51-K55 WeakPolarHBondContact O-CG 3.43Å; G51-K55 PolarHBondContact O-N 3.02Å; M52-K55 PolarHBondContact O-N 3.08Å; C53-K55 PolarHBondContact O-N 3.25Å
56	M	96.6	Very high	97.3	Very high	41 Å²	41	49.7 Å²	49.7	20%	0.202	27%	0.266	C	S	.	.	H	α-helix	trans	-82.5	-32.2	-177.5	-67.6	-167.5	-66.7	0	0	113.2	W27 K38 C53 C156	W27-M56 HydrophobicContact CH2-CE 4.17Å; W27-M56 HydrophobicContact CZ2-CB 3.81Å; W27-M56 HydrophobicContact CZ2-CE 4.29Å; K38-M56 HydrophobicContact CD-SD 4.14Å; C53-M56 PolarHBondContact O-N 3.31Å; M56-C156 HydrophobicContact CE-CB 3.8Å; M56-C156 WeakPolarHBondContact CE-SG 3.42Å
57	Q	96.1	Very high	97.2	Very high	56 Å²	56	50.4 Å²	50.4	26%	0.262	27%	0.273	S	S	.	.	S	Bend	trans	-158.2	134.2	-179.7	-179.3	63.6	25	0	0	111.2	W27 C53 G59 A60 Y158	W27-Q57 HydrophobicContact CH2-CB 4.11Å; W27-Q57 HydrophobicContact CZ2-CB 3.51Å; W27-Q57 HydrophobicContact CZ2-CG 4.48Å; C53-Q57 PolarHBondContact O-N 2.87Å; Q57-G59 PolarHBondContact O-N 2.93Å; Q57-A60 HydrophobicContact CB-CB 3.98Å; Q57-A60 VanDerWaalsContact O-CB 3.26Å; Q57-A60 WeakPolarHBondContact O-CB 3.27Å; Q57-A60 PolarHBondContact O-N 3.17Å; Q57-Y158 HydrophobicContact CB-CD1 4.22Å; Q57-Y158 HydrophobicContact CB-CE1 4.26Å; Q57-Y158 HydrophobicContact CG-CD1 3.69Å; Q57-Y158 HydrophobicContact CG-CD2 4.13Å; Q57-Y158 HydrophobicContact CG-CE1 3.63Å; Q57-Y158 HydrophobicContact CG-CE2 4.07Å; Q57-Y158 HydrophobicContact CG-CG 3.94Å
58	V	94.5	Very high	97.1	Very high	130 Å²	130	50.2 Å²	50.2	79%	0.788	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	129.7	173.6	176.8	0	0	0	0	110	A60	V58-A60 VanDerWaalsContact C-N 3.27Å; V58-A60 PolarHBondContact O-N 3.43Å
59	G	94.4	Very high	97.1	Very high	44 Å²	44	50.7 Å²	50.7	45%	0.454	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	-7.7	-178.4	0	0	0	0	0	114.8	Q57	Q57-G59 PolarHBondContact O-N 2.93Å
60	A	97.3	Very high	97	Very high	5 Å²	5	50.7 Å²	50.7	4%	0.041	28%	0.275	C	S	.	.			trans	-74.6	143.8	174.4	0	0	0	0	0	112.3	W27 C53 A54 Q57 V58 K157 Y158	W27-A60 HydrophobicContact CH2-CB 3.83Å; C53-A60 HydrophobicContact CB-CB 4.17Å; A54-A60 PolarHBondContact N-O 3.19Å; Q57-A60 HydrophobicContact CB-CB 3.98Å; Q57-A60 VanDerWaalsContact O-CB 3.26Å; Q57-A60 WeakPolarHBondContact O-CB 3.27Å; Q57-A60 PolarHBondContact O-N 3.17Å; V58-A60 VanDerWaalsContact C-N 3.27Å; V58-A60 PolarHBondContact O-N 3.43Å; A60-K157 WeakPolarHBondContact CA-O 3.22Å; A60-Y158 HydrophobicContact CB-CD1 4.33Å
61	R	98	Very high	96.9	Very high	106 Å²	106	48 Å²	48	40%	0.4	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	174.7	178.9	62.6	-171.5	72.1	117.3	4.5	109.8	T50 A63 D104 C156 K157	T50-R61 HydrophobicContact CG2-CB 4.05Å; R61-A63 PolarHBondContact O-N 3.35Å; R61-D104 HydrophobicContact CG-CB 4.43Å; R61-C156 CarbonylContact O-C 3.58Å; R61-C156 WeakPolarHBondContact O-CA 3.32Å; R61-K157 PolarHBondContact N-O 3.06Å; R61-K157 VanDerWaalsContact N-O 3.07Å; R61-K157 PolarHBondContact O-N 2.91Å
62	L	98.6	Very high	96.8	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	135.9	171.7	-78.4	168.4	0	0	0	111.1	W46 S64 W88 T103 A154 L155	W46-L62 HydrophobicContact CD2-CD1 4.45Å; W46-L62 HydrophobicContact CZ2-CD1 4.34Å; L62-S64 PolarHBondContact O-N 3.23Å; L62-W88 HydrophobicContact CD2-CB 3.88Å; L62-T103 HydrophobicContact CD1-CG2 4.47Å; L62-A154 HydrophobicContact CD2-CB 3.71Å; L62-L155 CarbonylContact C-O 3.54Å; L62-L155 WeakPolarHBondContact CA-O 3.49Å
63	A	98.4	Very high	96.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.259	C	S	.	.			trans	-71.9	130.8	-169.8	0	0	0	0	0	112.8	Y37 R61 L65 G90 L155 K157	Y37-A63 HydrophobicContact CD1-CB 4.49Å; R61-A63 PolarHBondContact O-N 3.35Å; A63-L65 HydrophobicContact CB-CD2 4.46Å; A63-G90 PolarHBondContact O-N 3.32Å; A63-L155 HydrophobicContact CB-CB 4.35Å; A63-L155 HydrophobicContact CB-CD2 3.89Å; A63-L155 HydrophobicContact CB-CG 3.7Å; A63-L155 WeakPolarHBondContact CB-O 3.21Å; A63-L155 PolarHBondContact N-O 3.03Å; A63-K157 HydrophobicContact CB-CB 3.74Å; A63-K157 HydrophobicContact CB-CD 4.48Å
64	S	97.7	Very high	96.6	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.007	26%	0.259	C	S	.	.			trans	-86.4	107.1	162.3	49.6	0	0	0	0	110.6	L62 D104 S106 K157	L62-S64 PolarHBondContact O-N 3.23Å; S64-D104 WeakPolarHBondContact CB-OD2 3.24Å; S64-D104 PolarHBondContact OG-OD2 3.02Å; S64-S106 WeakPolarHBondContact CB-OG 3.48Å; S64-K157 PolarHBondContact O-NZ 3.04Å; S64-K157 PolarHBondContact OG-NZ 3.34Å; S64-K157 VanDerWaalsContact OG-NZ 3.08Å
65	L	97.6	Very high	96.4	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	24%	0.238	C	C	.	.			trans	-88.1	120.7	173.1	-55.2	177.7	0	0	0	108	A63 E70 S71 V74 T89 F102 W109 I128 T143 L155	A63-L65 HydrophobicContact CB-CD2 4.46Å; L65-E70 HydrophobicContact CD2-CG 4Å; L65-S71 WeakPolarHBondContact CD1-OG 3.33Å; L65-V74 HydrophobicContact CD1-CG2 4.12Å; L65-V74 HydrophobicContact CD2-CG1 4.01Å; L65-V74 HydrophobicContact CD2-CG2 3.81Å; L65-T89 HydrophobicContact CD1-CG2 4.04Å; L65-F102 WeakPolarHBondContact O-CZ 3.44Å; L65-W109 HydrophobicContact CB-CE3 4.38Å; L65-W109 HydrophobicContact CB-CZ3 4.31Å; L65-W109 VanDerWaalsContact O-CE3 3.28Å; L65-I128 HydrophobicContact CD1-CD1 4.26Å; L65-T143 HydrophobicContact CD1-CG2 4.33Å; L65-L155 HydrophobicContact CD1-CD2 4.3Å; L65-L155 HydrophobicContact CD2-CD2 4.09Å
66	R	95.6	Very high	96.2	Very high	117 Å²	117	47.5 Å²	47.5	44%	0.442	24%	0.235	S	C	.	.			trans	-109.6	-14.2	-166.4	-57.6	-178.8	-62.3	145.3	-3.8	114.2	T33 E70	T33-R66 VanDerWaalsContact CG2-NH2 3.31Å; R66-E70 VanDerWaalsContact CB-OE2 3.26Å; R66-E70 WeakPolarHBondContact CB-OE2 3.48Å; R66-E70 WeakPolarHBondContact CG-OE2 3.06Å; R66-E70 PolarHBondContact N-OE2 2.88Å; R66-E70 IonicContact NE-OE2 3.45Å; R66-E70 PolarHBondContact NE-OE2 3.45Å
67	D	96.4	Very high	96.1	Very high	44 Å²	44	47 Å²	47	24%	0.235	24%	0.235	C	C	.	.	S	Bend	trans	-156.4	173.6	174.9	64.2	30.4	0	0	0	111.4	K32 D69 E70 S71 W109	K32-D67 IonicContact NZ-OD1 3.87Å; K32-D67 IonicContact NZ-OD2 2.77Å; K32-D67 PolarHBondContact NZ-OD2 2.95Å; D67-D69 VanDerWaalsContact C-N 3.27Å; D67-D69 PolarHBondContact O-N 3.12Å; D67-D69 PolarHBondContact OD1-N 3.08Å; D67-D69 VanDerWaalsContact OD1-N 3.14Å; D67-E70 PolarHBondContact O-N 2.94Å; D67-E70 WeakPolarHBondContact OD1-CB 3.39Å; D67-E70 PolarHBondContact OD1-N 2.96Å; D67-S71 PolarHBondContact O-N 3.17Å; D67-S71 VanDerWaalsContact O-N 3.1Å; D67-W109 WeakPolarHBondContact O-CH2 3.26Å
68	E	95.3	Very high	96	Very high	104 Å²	104	45.4 Å²	45.4	49%	0.486	23%	0.228	S	C	.	.	H	α-helix	trans	-63.8	-33	-178.7	-171.9	178.5	175.7	0	0	112.4	S71 K72 W109	E68-S71 PolarHBondContact O-N 2.84Å; E68-K72 HydrophobicContact CG-CD 4.11Å; E68-K72 HydrophobicContact CG-CG 4.46Å; E68-K72 WeakPolarHBondContact O-CB 3.42Å; E68-K72 WeakPolarHBondContact O-CG 3.49Å; E68-K72 PolarHBondContact O-N 3.13Å; E68-K72 WeakPolarHBondContact OE1-CE 3.46Å; E68-K72 IonicContact OE1-NZ 3.39Å; E68-K72 PolarHBondContact OE1-NZ 3.1Å; E68-W109 HydrophobicContact CB-CH2 4.44Å; E68-W109 HydrophobicContact CB-CZ2 4.18Å
69	D	96.5	Very high	95.7	Very high	83 Å²	83	44.1 Å²	44.1	44%	0.444	21%	0.212	S	C	.	.	H	α-helix	trans	-69.3	-43.7	179.5	-65.9	-29.6	0	0	0	111.4	F30 K32 D67 S71 K72 F73	F30-D69 HydrophobicContact CZ-CB 4.12Å; K32-D69 HydrophobicContact CD-CB 4.22Å; K32-D69 IonicContact NZ-OD2 2.69Å; K32-D69 PolarHBondContact NZ-OD2 3.12Å; D67-D69 VanDerWaalsContact C-N 3.27Å; D67-D69 PolarHBondContact O-N 3.12Å; D67-D69 PolarHBondContact OD1-N 3.08Å; D67-D69 VanDerWaalsContact OD1-N 3.14Å; D69-S71 VanDerWaalsContact C-N 3.32Å; D69-K72 PolarHBondContact O-N 2.99Å; D69-F73 VanDerWaalsContact O-CB 3.26Å; D69-F73 WeakPolarHBondContact O-CB 3.25Å; D69-F73 PolarHBondContact O-N 3.08Å
70	E	97.8	Very high	95.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.6	-44	174.5	-171.5	172.6	-167.9	0	0	110.5	F30 T33 Y37 L65 R66 D67 F73 V74 K157	F30-E70 HydrophobicContact CD1-CB 4.26Å; F30-E70 HydrophobicContact CD1-CG 4.14Å; F30-E70 HydrophobicContact CE1-CB 3.78Å; F30-E70 HydrophobicContact CE1-CG 4.18Å; T33-E70 HydrophobicContact CG2-CG 4.23Å; Y37-E70 HydrophobicContact CE1-CG 4.31Å; Y37-E70 PolarHBondContact OH-OE1 3.39Å; L65-E70 HydrophobicContact CD2-CG 4Å; R66-E70 VanDerWaalsContact CB-OE2 3.26Å; R66-E70 WeakPolarHBondContact CB-OE2 3.48Å; R66-E70 WeakPolarHBondContact CG-OE2 3.06Å; R66-E70 PolarHBondContact N-OE2 2.88Å; R66-E70 IonicContact NE-OE2 3.45Å; R66-E70 PolarHBondContact NE-OE2 3.45Å; D67-E70 PolarHBondContact O-N 2.94Å; D67-E70 WeakPolarHBondContact OD1-CB 3.39Å; D67-E70 PolarHBondContact OD1-N 2.96Å; E70-F73 PolarHBondContact O-N 2.86Å; E70-V74 PolarHBondContact O-N 3.31Å; E70-V74 VanDerWaalsContact O-N 3.08Å; E70-K157 WeakPolarHBondContact OE1-CE 3.02Å; E70-K157 IonicContact OE1-NZ 2.78Å; E70-K157 PolarHBondContact OE1-NZ 3.31Å
71	S	96	Very high	94.3	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.007	24%	0.243	C	C	.	.	H	α-helix	trans	-66.3	-43.1	179.2	-144.5	0	0	0	0	112.8	L65 D67 E68 D69 V74 A75 G141	L65-S71 WeakPolarHBondContact CD1-OG 3.33Å; D67-S71 PolarHBondContact O-N 3.17Å; D67-S71 VanDerWaalsContact O-N 3.1Å; E68-S71 PolarHBondContact O-N 2.84Å; D69-S71 VanDerWaalsContact C-N 3.32Å; S71-V74 WeakPolarHBondContact O-CG2 3.5Å; S71-A75 PolarHBondContact O-N 3.35Å; S71-G141 VanDerWaalsContact CB-O 3.23Å; S71-G141 WeakPolarHBondContact CB-O 3.45Å; S71-G141 PolarHBondContact OG-O 3.28Å
72	K	94.5	Very high	93.2	Very high	70 Å²	70	49.1 Å²	49.1	30%	0.304	25%	0.254	S	S	.	.	H	α-helix	trans	-67.3	-36	174.2	-76.1	176.3	-178.8	170.2	0	112.3	E68 D69 K76	E68-K72 HydrophobicContact CG-CD 4.11Å; E68-K72 HydrophobicContact CG-CG 4.46Å; E68-K72 WeakPolarHBondContact O-CB 3.42Å; E68-K72 WeakPolarHBondContact O-CG 3.49Å; E68-K72 PolarHBondContact O-N 3.13Å; E68-K72 WeakPolarHBondContact OE1-CE 3.46Å; E68-K72 IonicContact OE1-NZ 3.39Å; E68-K72 PolarHBondContact OE1-NZ 3.1Å; D69-K72 PolarHBondContact O-N 2.99Å; K72-K76 WeakPolarHBondContact O-CB 3.14Å; K72-K76 VanDerWaalsContact O-CG 3.3Å; K72-K76 WeakPolarHBondContact O-CG 3.37Å; K72-K76 PolarHBondContact O-N 3.5Å
73	F	96.3	Very high	92.3	Very high	43 Å²	43	54.6 Å²	54.6	19%	0.189	28%	0.283	C	S	.	.	H	α-helix	trans	-60.3	-51.1	176	167.6	-92.9	0	0	0	110.9	H28 F29 F30 Y37 D69 E70 A75 K76 S77	H28-F73 HydrophobicContact CB-CE1 4.18Å; H28-F73 HydrophobicContact CB-CZ 3.79Å; F29-F73 WeakPolarHBondContact O-CE2 3.5Å; F29-F73 VanDerWaalsContact O-CZ 3.26Å; F29-F73 WeakPolarHBondContact O-CZ 3.18Å; F30-F73 HydrophobicContact CB-CD1 3.69Å; F30-F73 HydrophobicContact CB-CD2 4.28Å; F30-F73 HydrophobicContact CB-CE1 3.55Å; F30-F73 HydrophobicContact CB-CE2 4.12Å; F30-F73 HydrophobicContact CB-CG 4.06Å; F30-F73 HydrophobicContact CB-CZ 3.76Å; F30-F73 HydrophobicContact CD1-CB 4.35Å; F30-F73 HydrophobicContact CD1-CD1 4.21Å; F30-F73 HydrophobicContact CD1-CG 4.24Å; F30-F73 HydrophobicContact CD2-CB 3.9Å; F30-F73 HydrophobicContact CD2-CD1 4.02Å; F30-F73 AromaticContact CD2-CD2 3.4Å; F30-F73 HydrophobicContact CD2-CD2 3.4Å; F30-F73 VanDerWaalsContact CD2-CD2 3.4Å; F30-F73 HydrophobicContact CD2-CE1 4.47Å; F30-F73 AromaticContact CD2-CE2 3.88Å; F30-F73 HydrophobicContact CD2-CE2 3.88Å; F30-F73 AromaticContact CD2-CG 3.47Å; F30-F73 HydrophobicContact CD2-CG 3.47Å; F30-F73 VanDerWaalsContact CD2-CG 3.47Å; F30-F73 HydrophobicContact CD2-CZ 4.39Å; F30-F73 HydrophobicContact CE1-CB 4.33Å; F30-F73 HydrophobicContact CE2-CB 3.85Å; F30-F73 AromaticContact CE2-CD2 3.98Å; F30-F73 HydrophobicContact CE2-CD2 3.98Å; F30-F73 AromaticContact CE2-CG 3.95Å; F30-F73 HydrophobicContact CE2-CG 3.95Å; F30-F73 HydrophobicContact CG-CB 4.18Å; F30-F73 AromaticContact CG-CD1 3.72Å; F30-F73 HydrophobicContact CG-CD1 3.72Å; F30-F73 AromaticContact CG-CD2 3.98Å; F30-F73 HydrophobicContact CG-CD2 3.98Å; F30-F73 HydrophobicContact CG-CE1 4.1Å; F30-F73 HydrophobicContact CG-CE2 4.3Å; F30-F73 AromaticContact CG-CG 3.66Å; F30-F73 HydrophobicContact CG-CG 3.66Å; F30-F73 HydrophobicContact CG-CZ 4.35Å; F30-F73 HydrophobicContact CZ-CB 4.07Å; Y37-F73 HydrophobicContact CD2-CD1 4.32Å; Y37-F73 AromaticContact CD2-CE1 3.71Å; Y37-F73 HydrophobicContact CD2-CE1 3.71Å; Y37-F73 HydrophobicContact CE2-CE1 4.27Å; Y37-F73 HydrophobicContact CG-CE1 4.26Å; D69-F73 VanDerWaalsContact O-CB 3.26Å; D69-F73 WeakPolarHBondContact O-CB 3.25Å; D69-F73 PolarHBondContact O-N 3.08Å; E70-F73 PolarHBondContact O-N 2.86Å; F73-A75 VanDerWaalsContact C-N 3.33Å; F73-A75 PolarHBondContact O-N 2.5Å; F73-K76 PolarHBondContact O-N 3.43Å; F73-S77 WeakPolarHBondContact O-CB 3.42Å; F73-S77 PolarHBondContact O-N 3.32Å; F73-S77 PolarHBondContact O-OG 3.26Å
74	V	96.6	Very high	91.6	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-40	-178.5	-64.4	0	0	0	0	111.3	Y37 L65 E70 S71 K76 S77 H78 I128 L155	Y37-V74 HydrophobicContact CD1-CG1 3.49Å; Y37-V74 VanDerWaalsContact CD1-CG1 3.49Å; Y37-V74 HydrophobicContact CE1-CG1 3.98Å; Y37-V74 HydrophobicContact CG-CG1 3.85Å; L65-V74 HydrophobicContact CD1-CG2 4.12Å; L65-V74 HydrophobicContact CD2-CG1 4.01Å; L65-V74 HydrophobicContact CD2-CG2 3.81Å; E70-V74 PolarHBondContact O-N 3.31Å; E70-V74 VanDerWaalsContact O-N 3.08Å; S71-V74 WeakPolarHBondContact O-CG2 3.5Å; V74-K76 PolarHBondContact O-N 3.31Å; V74-S77 WeakPolarHBondContact CA-OG 3.12Å; V74-S77 PolarHBondContact O-N 2.76Å; V74-S77 PolarHBondContact O-OG 2.92Å; V74-H78 WeakPolarHBondContact O-CB 3.26Å; V74-H78 PolarHBondContact O-N 3.1Å; V74-H78 VanDerWaalsContact O-N 3.13Å; V74-H78 PolarHBondContact O-ND1 3.46Å; V74-I128 HydrophobicContact CG2-CD1 3.64Å; V74-L155 HydrophobicContact CB-CD1 4.32Å; V74-L155 HydrophobicContact CB-CD2 4.03Å; V74-L155 HydrophobicContact CG1-CD1 4.41Å; V74-L155 HydrophobicContact CG1-CD2 4.18Å; V74-L155 HydrophobicContact CG2-CD2 3.89Å
75	A	93.9	Very high	91.3	Very high	2 Å²	2	55.1 Å²	55.1	2%	0.017	29%	0.288	C	S	.	.	H	α-helix	trans	-64.7	-42.2	179.5	0	0	0	0	0	113	S71 F73 K79 I85 I128 D130	S71-A75 PolarHBondContact O-N 3.35Å; F73-A75 VanDerWaalsContact C-N 3.33Å; F73-A75 PolarHBondContact O-N 2.5Å; A75-K79 PolarHBondContact O-N 3.04Å; A75-I85 HydrophobicContact CB-CG2 4.14Å; A75-I128 HydrophobicContact CB-CD1 4.14Å; A75-D130 HydrophobicContact CB-CB 4.07Å; A75-D130 WeakPolarHBondContact CB-OD2 3.23Å
76	K	92.6	Very high	91.1	Very high	146 Å²	146	58.2 Å²	58.2	64%	0.635	30%	0.302	S	S	*	.	H	α-helix	trans	-70.6	-41.9	177.5	-70.8	175.7	-179.8	-177.9	0	112.8	K72 F73 V74 H78	K72-K76 WeakPolarHBondContact O-CB 3.14Å; K72-K76 VanDerWaalsContact O-CG 3.3Å; K72-K76 WeakPolarHBondContact O-CG 3.37Å; K72-K76 PolarHBondContact O-N 3.5Å; F73-K76 PolarHBondContact O-N 3.43Å; V74-K76 PolarHBondContact O-N 3.31Å; K76-H78 VanDerWaalsContact C-N 3.29Å; K76-H78 PolarHBondContact O-N 3.36Å
77	S	94.4	Very high	91.2	Very high	30 Å²	30	52.7 Å²	52.7	21%	0.21	28%	0.281	C	S	.	.	H	α-helix	trans	-70.7	-24.2	-177.1	50.8	0	0	0	0	113.5	H28 F73 V74	H28-S77 PolarHBondContact CE1-O 3.39Å; H28-S77 PolarHBondContact NE2-O 3.05Å; F73-S77 WeakPolarHBondContact O-CB 3.42Å; F73-S77 PolarHBondContact O-N 3.32Å; F73-S77 PolarHBondContact O-OG 3.26Å; V74-S77 WeakPolarHBondContact CA-OG 3.12Å; V74-S77 PolarHBondContact O-N 2.76Å; V74-S77 PolarHBondContact O-OG 2.92Å
78	H	94.2	Very high	91.3	Very high	23 Å²	23	50.6 Å²	50.6	11%	0.106	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	16.8	-177.8	-60.3	75.7	0	0	0	113.3	H28 K38 T39 V74 K76 S80 I85	H28-H78 AromaticContact CD2-CE1 3.66Å; H28-H78 AromaticContact CD2-NE2 3.68Å; K38-H78 WeakPolarHBondContact CA-NE2 3.4Å; K38-H78 PolarHBondContact N-NE2 2.87Å; T39-H78 HydrophobicContact CG2-CB 4.44Å; V74-H78 WeakPolarHBondContact O-CB 3.26Å; V74-H78 PolarHBondContact O-N 3.1Å; V74-H78 VanDerWaalsContact O-N 3.13Å; V74-H78 PolarHBondContact O-ND1 3.46Å; K76-H78 VanDerWaalsContact C-N 3.29Å; K76-H78 PolarHBondContact O-N 3.36Å; H78-S80 PolarHBondContact O-N 2.04Å; H78-S80 VanDerWaalsContact O-N 3.11Å; H78-I85 HydrophobicContact CB-CB 4.32Å; H78-I85 HydrophobicContact CB-CD1 3.86Å; H78-I85 HydrophobicContact CB-CG1 4.21Å
79	K	87	Confident	91.4	Very high	102 Å²	102	45.7 Å²	45.7	44%	0.443	25%	0.247	S	C	.	.			trans	-64.2	112.7	-179.5	-173.8	170.1	-171.6	167.2	0	110.2	A75 E135	A75-K79 PolarHBondContact O-N 3.04Å; K79-E135 IonicContact NZ-OE1 2.61Å; K79-E135 PolarHBondContact NZ-OE1 2.8Å; K79-E135 IonicContact NZ-OE2 3.46Å; K79-E135 PolarHBondContact NZ-OE2 3.5Å
80	S	82	Confident	91.5	Very high	81 Å²	81	41.8 Å²	41.8	57%	0.566	23%	0.226	S	C	*	.	B	Isolated β-bridge	trans	-102.1	88.8	174.6	-177.9	0	0	0	0	110.5	H78 D83 G84	H78-S80 PolarHBondContact O-N 2.04Å; H78-S80 VanDerWaalsContact O-N 3.11Å; S80-D83 PolarHBondContact O-N 2.98Å; S80-G84 PolarHBondContact N-O 3.11Å; S80-G84 PolarHBondContact O-N 3.46Å
81	G	80	Confident	91.4	Very high	56 Å²	56	41.9 Å²	41.9	58%	0.577	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	-137.2	179.3	0	0	0	0	0	113.1	D83	G81-D83 VanDerWaalsContact C-N 3.35Å
82	I	76.8	Confident	91.3	Very high	124 Å²	124	42.3 Å²	42.3	64%	0.636	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-22.2	179.4	60.5	172.7	0	0	0	113.4	G84 W132	I82-G84 VanDerWaalsContact C-N 3.34Å; I82-W132 PolarHBondContact O-N 2.8Å
83	D	77.7	Confident	91.1	Very high	116 Å²	116	39 Å²	39	62%	0.62	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-24	-178.1	-63.1	-31.6	0	0	0	111.6	S80 G81 N131	S80-D83 PolarHBondContact O-N 2.98Å; G81-D83 VanDerWaalsContact C-N 3.35Å; D83-N131 WeakPolarHBondContact O-CA 3.39Å; D83-N131 VanDerWaalsContact O-CB 3.27Å; D83-N131 WeakPolarHBondContact O-CB 3.35Å
84	G	85.3	Confident	90.3	Very high	8 Å²	8	40.6 Å²	40.6	8%	0.082	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	66.8	-140.4	176.8	0	0	0	0	0	113.2	S80 I82 D130	S80-G84 PolarHBondContact N-O 3.11Å; S80-G84 PolarHBondContact O-N 3.46Å; I82-G84 VanDerWaalsContact C-N 3.34Å; G84-D130 VanDerWaalsContact CA-O 3.28Å; G84-D130 WeakPolarHBondContact CA-O 3.36Å
85	I	91.7	Very high	89	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.021	26%	0.257	C	S	.	.			trans	-98.8	138.1	172.9	-172.6	174.8	0	0	0	110	T39 A75 H78 A87 I128 V129 D130 L155	T39-I85 HydrophobicContact CG2-CD1 4.09Å; T39-I85 HydrophobicContact CG2-CG1 4.28Å; A75-I85 HydrophobicContact CB-CG2 4.14Å; H78-I85 HydrophobicContact CB-CB 4.32Å; H78-I85 HydrophobicContact CB-CD1 3.86Å; H78-I85 HydrophobicContact CB-CG1 4.21Å; I85-A87 HydrophobicContact CD1-CB 4.37Å; I85-A87 HydrophobicContact CG1-CB 4.22Å; I85-I128 HydrophobicContact CD1-CG2 3.6Å; I85-I128 HydrophobicContact CG1-CG2 3.97Å; I85-I128 HydrophobicContact CG2-CD1 4.26Å; I85-I128 HydrophobicContact CG2-CG1 4.07Å; I85-I128 HydrophobicContact CG2-CG2 4.21Å; I85-V129 WeakPolarHBondContact O-CA 3.21Å; I85-D130 HydrophobicContact CG2-CB 3.75Å; I85-D130 PolarHBondContact O-N 2.78Å; I85-L155 HydrophobicContact CD1-CD1 4.19Å
86	H	93.1	Very high	88.1	Confident	69 Å²	69	51 Å²	51	32%	0.319	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	99.5	167.8	-166.3	172.6	0	0	0	109.8	E127 I128 R152	H86-E127 IonicContact CD2-OE2 2.76Å; H86-E127 PolarHBondContact CD2-OE2 2.8Å; H86-E127 IonicContact CE1-OE2 2.85Å; H86-E127 VanDerWaalsContact NE2-CD 3.26Å; H86-E127 IonicContact NE2-OE1 3.06Å; H86-E127 PolarHBondContact NE2-OE1 2.03Å; H86-E127 IonicContact NE2-OE2 2.66Å; H86-E127 PolarHBondContact NE2-OE2 2.81Å; H86-I128 WeakPolarHBondContact CA-O 3.4Å; H86-R152 PolarHBondContact CE1-NE 2.93Å; H86-R152 PolarHBondContact CE1-NH2 3.34Å; H86-R152 VanDerWaalsContact CE1-NH2 3.32Å; H86-R152 WeakPolarHBondContact NE2-CD 3.34Å; H86-R152 PolarHBondContact NE2-NE 2.8Å
87	A	96.9	Very high	87.4	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	152.6	-173.2	0	0	0	0	0	113.9	T39 I85 E127 I128 K153 L155	T39-A87 HydrophobicContact CG2-CB 4.14Å; I85-A87 HydrophobicContact CD1-CB 4.37Å; I85-A87 HydrophobicContact CG1-CB 4.22Å; A87-E127 CarbonylContact O-C 3.43Å; A87-E127 VanDerWaalsContact O-CA 3.23Å; A87-E127 WeakPolarHBondContact O-CA 3.47Å; A87-E127 WeakPolarHBondContact O-CB 3.48Å; A87-I128 HydrophobicContact CB-CG2 4.33Å; A87-I128 PolarHBondContact N-O 2.77Å; A87-I128 VanDerWaalsContact N-O 3.1Å; A87-I128 PolarHBondContact O-N 3.21Å; A87-K153 CarbonylContact C-O 3.56Å; A87-K153 WeakPolarHBondContact CA-O 3.36Å; A87-K153 HydrophobicContact CB-CB 4.29Å; A87-K153 WeakPolarHBondContact CB-O 3.46Å; A87-L155 HydrophobicContact CB-CB 4.03Å
88	W	98.1	Very high	86.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	136.2	170.5	-68.6	128.6	0	0	0	111.9	G44 W46 L62 C125 E127 T146 F147 H150 R152 K153 L155	G44-W88 PolarHBondContact O-NE1 3.07Å; G44-W88 VanDerWaalsContact O-NE1 3.12Å; W46-W88 HydrophobicContact CB-CD2 4Å; W46-W88 HydrophobicContact CB-CE3 4.35Å; W46-W88 HydrophobicContact CB-CG 4.32Å; W46-W88 HydrophobicContact CB-CZ2 4.34Å; W46-W88 AromaticContact CD1-CD2 3.88Å; W46-W88 AromaticContact CD1-CE3 3.77Å; W46-W88 HydrophobicContact CG-CD2 4.38Å; W46-W88 HydrophobicContact CG-CE3 4.47Å; L62-W88 HydrophobicContact CD2-CB 3.88Å; W88-C125 HydrophobicContact CE3-CB 4.29Å; W88-C125 HydrophobicContact CH2-CB 4.4Å; W88-C125 HydrophobicContact CZ3-CB 3.9Å; W88-E127 HydrophobicContact CE3-CB 3.88Å; W88-E127 HydrophobicContact CZ3-CB 3.96Å; W88-E127 HydrophobicContact CZ3-CG 4.41Å; W88-T146 HydrophobicContact CH2-CG2 3.54Å; W88-T146 HydrophobicContact CZ3-CG2 3.57Å; W88-F147 VanDerWaalsContact CH2-O 3.29Å; W88-F147 WeakPolarHBondContact CH2-O 3.23Å; W88-H150 HydrophobicContact CH2-CB 4.21Å; W88-H150 HydrophobicContact CZ2-CB 3.82Å; W88-H150 VanDerWaalsContact CZ2-O 3.27Å; W88-H150 WeakPolarHBondContact CZ2-O 3.45Å; W88-H150 PolarHBondContact NE1-O 2.85Å; W88-R152 HydrophobicContact CD2-CB 4.41Å; W88-R152 HydrophobicContact CD2-CG 4.46Å; W88-R152 HydrophobicContact CG-CB 4.3Å; W88-R152 HydrophobicContact CZ2-CG 4.06Å; W88-K153 PolarHBondContact N-O 3.01Å; W88-L155 VanDerWaalsContact O-CB 3.31Å; W88-L155 WeakPolarHBondContact O-CB 3.32Å; W88-L155 PolarHBondContact O-N 2.98Å
89	T	98	Very high	86.2	Confident	2 Å²	2	52 Å²	52	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	173	165.7	74	0	0	0	0	110	W46 L65 L91 V126 I128 T143	W46-T89 PolarHBondContact NE1-O 3.41Å; L65-T89 HydrophobicContact CD1-CG2 4.04Å; T89-L91 PolarHBondContact O-N 3.42Å; T89-L91 PolarHBondContact OG1-N 2.84Å; T89-V126 PolarHBondContact N-O 3.1Å; T89-V126 WeakPolarHBondContact OG1-CB 3.46Å; T89-V126 PolarHBondContact OG1-O 2.78Å; T89-I128 HydrophobicContact CG2-CB 4.19Å; T89-I128 HydrophobicContact CG2-CG2 4.38Å; T89-T143 HydrophobicContact CG2-CG2 4.25Å
90	G	97.9	Very high	86.4	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-1.7	175	0	0	0	0	0	114.6	A63 F102 T103	A63-G90 PolarHBondContact O-N 3.32Å; G90-F102 VanDerWaalsContact C-CD1 3.49Å; G90-F102 VanDerWaalsContact O-CA 3.32Å; G90-F102 WeakPolarHBondContact O-CA 3.17Å; G90-T103 PolarHBondContact O-N 3.01Å
91	L	96.7	Very high	87	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.016	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	133.5	-175.2	-164.7	67.1	0	0	0	110.7	T89 W100 T101 F102 P108 W109 F112 V126	T89-L91 PolarHBondContact O-N 3.42Å; T89-L91 PolarHBondContact OG1-N 2.84Å; L91-W100 HydrophobicContact CD1-CB 3.86Å; L91-W100 HydrophobicContact CD2-CD2 4.47Å; L91-W100 HydrophobicContact CD2-CE3 4.21Å; L91-W100 HydrophobicContact CG-CB 4.3Å; L91-W100 HydrophobicContact CG-CE3 3.95Å; L91-T101 WeakPolarHBondContact CA-O 3.31Å; L91-F102 HydrophobicContact CB-CD1 3.87Å; L91-F102 HydrophobicContact CB-CE1 3.49Å; L91-F102 VanDerWaalsContact CB-CE1 3.49Å; L91-F102 HydrophobicContact CB-CZ 4.1Å; L91-F102 HydrophobicContact CD1-CD1 3.95Å; L91-F102 HydrophobicContact CD1-CD2 4.04Å; L91-F102 HydrophobicContact CD1-CE1 3.84Å; L91-F102 HydrophobicContact CD1-CE2 3.94Å; L91-F102 HydrophobicContact CD1-CG 4.03Å; L91-F102 HydrophobicContact CD1-CZ 3.81Å; L91-F102 HydrophobicContact CD2-CZ 4.45Å; L91-F102 HydrophobicContact CG-CE1 4.18Å; L91-F102 HydrophobicContact CG-CZ 4.36Å; L91-P108 HydrophobicContact CD1-CB 4.37Å; L91-W109 WeakPolarHBondContact CD2-O 3.34Å; L91-F112 HydrophobicContact CD2-CE1 4.44Å; L91-F112 HydrophobicContact CD2-CZ 4.25Å; L91-V126 HydrophobicContact CB-CB 3.83Å; L91-V126 HydrophobicContact CB-CG1 4.32Å; L91-V126 HydrophobicContact CB-CG2 3.89Å; L91-V126 HydrophobicContact CD2-CB 4.42Å; L91-V126 HydrophobicContact CD2-CG1 4.38Å; L91-V126 HydrophobicContact CD2-CG2 3.94Å; L91-V126 HydrophobicContact CG-CB 4.42Å; L91-V126 HydrophobicContact CG-CG2 3.96Å; L91-V126 WeakPolarHBondContact O-CB 3.06Å; L91-V126 WeakPolarHBondContact O-CG2 3.26Å; L91-V126 PolarHBondContact O-N 3.44Å
92	S	94.6	Very high	87.8	Confident	9 Å²	9	45.4 Å²	45.4	6%	0.063	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	166.8	175	66.8	0	0	0	0	110.9	W100 T101 S124	S92-W100 CarbonylContact O-C 3.57Å; S92-W100 WeakPolarHBondContact O-CA 3.38Å; S92-T101 PolarHBondContact N-O 3.48Å; S92-T101 PolarHBondContact O-N 3.01Å; S92-S124 CarbonylContact C-O 3.57Å; S92-S124 WeakPolarHBondContact CA-O 3.31Å
93	Q	89.7	Confident	88.7	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	144.9	165.8	58	162.9	60.1	0	0	109.8	N99 W100 Y116 H122 T123 S124	Q93-N99 WeakPolarHBondContact CA-O 3.13Å; Q93-N99 WeakPolarHBondContact CB-O 3.33Å; Q93-W100 HydrophobicContact CB-CD2 4.23Å; Q93-W100 HydrophobicContact CB-CE3 3.86Å; Q93-W100 HydrophobicContact CB-CH2 4.33Å; Q93-W100 HydrophobicContact CB-CZ3 3.92Å; Q93-W100 HydrophobicContact CG-CE3 4.12Å; Q93-W100 HydrophobicContact CG-CH2 3.74Å; Q93-W100 HydrophobicContact CG-CZ2 4.34Å; Q93-W100 HydrophobicContact CG-CZ3 3.63Å; Q93-Y116 PolarHBondContact NE2-OH 3.4Å; Q93-Y116 VanDerWaalsContact OE1-CE2 3.29Å; Q93-Y116 PolarHBondContact OE1-OH 2.76Å; Q93-H122 PolarHBondContact NE2-O 2.69Å; Q93-T123 VanDerWaalsContact O-CA 3.32Å; Q93-T123 WeakPolarHBondContact O-CA 3.37Å; Q93-T123 VanDerWaalsContact O-CG2 3.28Å; Q93-T123 WeakPolarHBondContact O-CG2 3.14Å; Q93-S124 PolarHBondContact N-O 2.52Å; Q93-S124 PolarHBondContact O-N 2.87Å
94	T	79.3	Confident	89.5	Confident	76 Å²	76	39.1 Å²	39.1	47%	0.466	22%	0.217	S	C	.	.			trans	-115.6	115.1	178.9	55.5	0	0	0	0	110.4	T96	T94-T96 PolarHBondContact O-N 3.2Å
95	Q	68.7	Low	90	Very high	131 Å²	131	42.1 Å²	42.1	61%	0.612	25%	0.248	S	C	*	.	S	Bend	trans	54	-47.7	172	-63.3	179	63.3	0	0	116.9	A97 N121	Q95-A97 PolarHBondContact O-N 3.35Å; Q95-N121 WeakPolarHBondContact O-CA 3.46Å
96	T	75.1	Confident	90.2	Very high	90 Å²	90	43.2 Å²	43.2	55%	0.552	26%	0.256	S	S	*	.	S	Bend	trans	-75.1	110.6	168.9	-46.8	0	0	0	0	110.2	T94 N99	T94-T96 PolarHBondContact O-N 3.2Å; T96-N99 HydrophobicContact CG2-CB 4.12Å; T96-N99 PolarHBondContact O-N 2.95Å
97	A	77.4	Confident	90.3	Very high	25 Å²	25	48.6 Å²	48.6	21%	0.207	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	143.2	174.4	0	0	0	0	0	111.1	Q95 N99 Y116	Q95-A97 PolarHBondContact O-N 3.35Å; A97-N99 PolarHBondContact O-N 3.38Å; A97-Y116 HydrophobicContact CB-CE1 4.44Å
98	N	78.6	Confident	90	Very high	112 Å²	112	51.5 Å²	51.5	60%	0.599	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	7.1	179.2	-53.7	-51	0	0	0	116	W100	N98-W100 PolarHBondContact O-N 3.33Å
99	N	86.8	Confident	89.8	Confident	83 Å²	83	54.9 Å²	54.9	44%	0.444	31%	0.31	S	S	.	.			trans	-95.5	90.3	170.4	-170.3	8	0	0	0	110.1	Q93 T96 A97	Q93-N99 WeakPolarHBondContact CA-O 3.13Å; Q93-N99 WeakPolarHBondContact CB-O 3.33Å; T96-N99 HydrophobicContact CG2-CB 4.12Å; T96-N99 PolarHBondContact O-N 2.95Å; A97-N99 PolarHBondContact O-N 3.38Å
100	W	90.6	Very high	89.4	Confident	28 Å²	28	56.9 Å²	56.9	11%	0.106	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	140	-176.4	-60.6	99.7	0	0	0	111.8	L91 S92 Q93 N98 P108 F112 Y116 V126 P145	L91-W100 HydrophobicContact CD1-CB 3.86Å; L91-W100 HydrophobicContact CD2-CD2 4.47Å; L91-W100 HydrophobicContact CD2-CE3 4.21Å; L91-W100 HydrophobicContact CG-CB 4.3Å; L91-W100 HydrophobicContact CG-CE3 3.95Å; S92-W100 CarbonylContact O-C 3.57Å; S92-W100 WeakPolarHBondContact O-CA 3.38Å; Q93-W100 HydrophobicContact CB-CD2 4.23Å; Q93-W100 HydrophobicContact CB-CE3 3.86Å; Q93-W100 HydrophobicContact CB-CH2 4.33Å; Q93-W100 HydrophobicContact CB-CZ3 3.92Å; Q93-W100 HydrophobicContact CG-CE3 4.12Å; Q93-W100 HydrophobicContact CG-CH2 3.74Å; Q93-W100 HydrophobicContact CG-CZ2 4.34Å; Q93-W100 HydrophobicContact CG-CZ3 3.63Å; N98-W100 PolarHBondContact O-N 3.33Å; W100-P108 HydrophobicContact CB-CB 4.13Å; W100-P108 WeakPolarHBondContact O-CB 3.39Å; W100-P108 WeakPolarHBondContact O-CG 3.27Å; W100-F112 HydrophobicContact CD2-CE2 4.49Å; W100-F112 HydrophobicContact CD2-CZ 4.15Å; W100-F112 AromaticContact CE2-CE2 3.7Å; W100-F112 AromaticContact CE2-CZ 3.77Å; W100-F112 HydrophobicContact CE3-CZ 4.34Å; W100-F112 HydrophobicContact CH2-CE2 4.26Å; W100-F112 AromaticContact CH2-CZ 3.93Å; W100-F112 HydrophobicContact CH2-CZ 3.93Å; W100-F112 AromaticContact CZ2-CE2 3.57Å; W100-F112 HydrophobicContact CZ2-CE2 3.57Å; W100-F112 AromaticContact CZ2-CZ 3.65Å; W100-F112 HydrophobicContact CZ2-CZ 3.65Å; W100-F112 HydrophobicContact CZ3-CZ 4.24Å; W100-F112 AromaticContact NE1-CE2 3.94Å; W100-Y116 HydrophobicContact CH2-CD2 4.31Å; W100-Y116 HydrophobicContact CH2-CE2 4.02Å; W100-Y116 AromaticContact CZ2-CD2 3.88Å; W100-Y116 HydrophobicContact CZ2-CD2 3.88Å; W100-Y116 AromaticContact CZ2-CE2 3.81Å; W100-Y116 HydrophobicContact CZ2-CE2 3.81Å; W100-V126 HydrophobicContact CE3-CG2 3.92Å; W100-V126 HydrophobicContact CH2-CG2 4.15Å; W100-V126 HydrophobicContact CZ3-CG2 3.41Å; W100-V126 VanDerWaalsContact CZ3-CG2 3.41Å; W100-P145 HydrophobicContact CH2-CB 3.64Å; W100-P145 HydrophobicContact CH2-CG 4.33Å; W100-P145 HydrophobicContact CZ2-CB 4.48Å; W100-P145 HydrophobicContact CZ3-CB 4.38Å
101	T	94.7	Very high	89	Confident	62 Å²	62	58.6 Å²	58.6	38%	0.38	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	144.1	174.9	59.5	0	0	0	0	111.2	L91 S92	L91-T101 WeakPolarHBondContact CA-O 3.31Å; S92-T101 PolarHBondContact N-O 3.48Å; S92-T101 PolarHBondContact O-N 3.01Å
102	F	96.8	Very high	88.7	Confident	11 Å²	11	60.9 Å²	60.9	5%	0.048	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	142.9	168.6	-78.7	-66.4	0	0	0	110.7	L65 G90 L91 D104 G105 S106	L65-F102 WeakPolarHBondContact O-CZ 3.44Å; G90-F102 VanDerWaalsContact C-CD1 3.49Å; G90-F102 VanDerWaalsContact O-CA 3.32Å; G90-F102 WeakPolarHBondContact O-CA 3.17Å; L91-F102 HydrophobicContact CB-CD1 3.87Å; L91-F102 HydrophobicContact CB-CE1 3.49Å; L91-F102 VanDerWaalsContact CB-CE1 3.49Å; L91-F102 HydrophobicContact CB-CZ 4.1Å; L91-F102 HydrophobicContact CD1-CD1 3.95Å; L91-F102 HydrophobicContact CD1-CD2 4.04Å; L91-F102 HydrophobicContact CD1-CE1 3.84Å; L91-F102 HydrophobicContact CD1-CE2 3.94Å; L91-F102 HydrophobicContact CD1-CG 4.03Å; L91-F102 HydrophobicContact CD1-CZ 3.81Å; L91-F102 HydrophobicContact CD2-CZ 4.45Å; L91-F102 HydrophobicContact CG-CE1 4.18Å; L91-F102 HydrophobicContact CG-CZ 4.36Å; F102-D104 VanDerWaalsContact CB-OD1 3.29Å; F102-D104 WeakPolarHBondContact CB-OD1 3Å; F102-D104 PolarHBondContact O-N 3.44Å; F102-G105 PolarHBondContact O-N 3.39Å; F102-S106 WeakPolarHBondContact CB-OG 2.99Å; F102-S106 VanDerWaalsContact CD2-OG 3.23Å; F102-S106 WeakPolarHBondContact CD2-OG 3.4Å
103	T	95.7	Very high	88.2	Confident	59 Å²	59	62.8 Å²	62.8	36%	0.362	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-18.1	176.2	50.4	0	0	0	0	114.5	W46 L62 G90	W46-T103 HydrophobicContact CH2-CG2 3.41Å; W46-T103 VanDerWaalsContact CH2-CG2 3.41Å; W46-T103 HydrophobicContact CZ2-CG2 3.46Å; W46-T103 VanDerWaalsContact CZ2-CG2 3.46Å; W46-T103 HydrophobicContact CZ3-CG2 4.49Å; L62-T103 HydrophobicContact CD1-CG2 4.47Å; G90-T103 PolarHBondContact O-N 3.01Å
104	D	94.8	Very high	87.5	Confident	49 Å²	49	65 Å²	65	26%	0.262	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	2.2	-179.7	76.1	-13.5	0	0	0	114	R61 S64 F102 S106	R61-D104 HydrophobicContact CG-CB 4.43Å; S64-D104 WeakPolarHBondContact CB-OD2 3.24Å; S64-D104 PolarHBondContact OG-OD2 3.02Å; F102-D104 VanDerWaalsContact CB-OD1 3.29Å; F102-D104 WeakPolarHBondContact CB-OD1 3Å; F102-D104 PolarHBondContact O-N 3.44Å; D104-S106 VanDerWaalsContact C-N 3.26Å; D104-S106 PolarHBondContact O-N 2.89Å; D104-S106 WeakPolarHBondContact OD1-CB 3.28Å; D104-S106 PolarHBondContact OD1-N 2.99Å; D104-S106 PolarHBondContact OD1-OG 2.99Å
105	G	94.9	Very high	86.7	Confident	71 Å²	71	66.5 Å²	66.5	73%	0.732	38%	0.378	S	S	*	.			trans	76.8	3.7	-178.6	0	0	0	0	0	115	F102	F102-G105 PolarHBondContact O-N 3.39Å
106	S	95.2	Very high	86.4	Confident	26 Å²	26	62.8 Å²	62.8	18%	0.182	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-65	157.1	174.9	62.9	0	0	0	0	112.1	S64 F102 D104 P108	S64-S106 WeakPolarHBondContact CB-OG 3.48Å; F102-S106 WeakPolarHBondContact CB-OG 2.99Å; F102-S106 VanDerWaalsContact CD2-OG 3.23Å; F102-S106 WeakPolarHBondContact CD2-OG 3.4Å; D104-S106 VanDerWaalsContact C-N 3.26Å; D104-S106 PolarHBondContact O-N 2.89Å; D104-S106 WeakPolarHBondContact OD1-CB 3.28Å; D104-S106 PolarHBondContact OD1-N 2.99Å; D104-S106 PolarHBondContact OD1-OG 2.99Å; S106-P108 WeakPolarHBondContact O-CD 3.34Å
107	K	94.9	Very high	85.4	Confident	183 Å²	183	64.2 Å²	64.2	80%	0.796	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-57.3	126.7	178.2	-175.6	179.2	177.5	-177.6	0	109.6	W109	K107-W109 PolarHBondContact O-N 3.08Å
108	P	92.1	Very high	84.7	Confident	61 Å²	61	65.6 Å²	65.6	40%	0.396	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-58.7	134.9	178.3	-22.8	32.4	0	0	0	111.7	L91 W100 S106	L91-P108 HydrophobicContact CD1-CB 4.37Å; W100-P108 HydrophobicContact CB-CB 4.13Å; W100-P108 WeakPolarHBondContact O-CB 3.39Å; W100-P108 WeakPolarHBondContact O-CG 3.27Å; S106-P108 WeakPolarHBondContact O-CD 3.34Å
109	W	93.9	Very high	83.7	Confident	70 Å²	70	64.1 Å²	64.1	27%	0.265	37%	0.365	S	S	.	.			trans	-144.8	141.1	173	178.1	89.4	0	0	0	108.4	L65 D67 E68 L91 K107	L65-W109 HydrophobicContact CB-CE3 4.38Å; L65-W109 HydrophobicContact CB-CZ3 4.31Å; L65-W109 VanDerWaalsContact O-CE3 3.28Å; D67-W109 WeakPolarHBondContact O-CH2 3.26Å; E68-W109 HydrophobicContact CB-CH2 4.44Å; E68-W109 HydrophobicContact CB-CZ2 4.18Å; L91-W109 WeakPolarHBondContact CD2-O 3.34Å; K107-W109 PolarHBondContact O-N 3.08Å
110	S	88.9	Confident	82.4	Confident	45 Å²	45	66.6 Å²	66.6	32%	0.315	38%	0.378	S	S	.	.			trans	-149.6	152.1	176.6	56.7	0	0	0	0	111.2	F112	S110-F112 VanDerWaalsContact CB-CZ 3.45Å
111	S	90.1	Very high	81	Confident	35 Å²	35	70.5 Å²	70.5	25%	0.245	40%	0.401	C	S	.	.			trans	-136.4	88.4	169.3	-175.9	0	0	0	0	107.1	K142 T143	S111-K142 WeakPolarHBondContact O-CA 3.18Å; S111-K142 VanDerWaalsContact O-CB 3.3Å; S111-K142 WeakPolarHBondContact O-CB 3.44Å; S111-T143 PolarHBondContact O-N 3.26Å
112	F	89.3	Confident	79.8	Confident	51 Å²	51	71.8 Å²	71.8	22%	0.224	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-83	136.2	-176.7	-58.5	-42.2	0	0	0	111.2	L91 W100 S110 V126 T143	L91-F112 HydrophobicContact CD2-CE1 4.44Å; L91-F112 HydrophobicContact CD2-CZ 4.25Å; W100-F112 HydrophobicContact CD2-CE2 4.49Å; W100-F112 HydrophobicContact CD2-CZ 4.15Å; W100-F112 AromaticContact CE2-CE2 3.7Å; W100-F112 AromaticContact CE2-CZ 3.77Å; W100-F112 HydrophobicContact CE3-CZ 4.34Å; W100-F112 HydrophobicContact CH2-CE2 4.26Å; W100-F112 AromaticContact CH2-CZ 3.93Å; W100-F112 HydrophobicContact CH2-CZ 3.93Å; W100-F112 AromaticContact CZ2-CE2 3.57Å; W100-F112 HydrophobicContact CZ2-CE2 3.57Å; W100-F112 AromaticContact CZ2-CZ 3.65Å; W100-F112 HydrophobicContact CZ2-CZ 3.65Å; W100-F112 HydrophobicContact CZ3-CZ 4.24Å; W100-F112 AromaticContact NE1-CE2 3.94Å; S110-F112 VanDerWaalsContact CB-CZ 3.45Å; F112-V126 HydrophobicContact CE1-CG1 3.93Å; F112-V126 HydrophobicContact CE1-CG2 4.01Å; F112-V126 HydrophobicContact CZ-CG2 4.17Å; F112-T143 VanDerWaalsContact CA-O 3.27Å; F112-T143 WeakPolarHBondContact CA-O 3.42Å; F112-T143 VanDerWaalsContact CD1-OG1 3.3Å; F112-T143 WeakPolarHBondContact CD1-OG1 3.46Å; F112-T143 WeakPolarHBondContact CE1-OG1 3.23Å
113	F	85.3	Confident	79.1	Confident	50 Å²	50	74.1 Å²	74.1	22%	0.219	42%	0.418	C	S	.	.	S	Bend	trans	-91.3	-19.1	174.6	68.9	-94.9	0	0	0	113.8	V129 V134 N139 K142 T143 Q144	F113-V129 HydrophobicContact CE1-CB 4.48Å; F113-V134 HydrophobicContact CZ-CG2 4.42Å; F113-N139 HydrophobicContact CB-CB 3.91Å; F113-N139 HydrophobicContact CG-CB 4.39Å; F113-K142 HydrophobicContact CB-CB 3.8Å; F113-K142 HydrophobicContact CB-CD 3.59Å; F113-K142 HydrophobicContact CB-CG 4.35Å; F113-K142 HydrophobicContact CD1-CB 3.83Å; F113-K142 HydrophobicContact CG-CB 4.3Å; F113-T143 VanDerWaalsContact CD1-O 3.26Å; F113-T143 WeakPolarHBondContact CD1-O 3.47Å; F113-T143 PolarHBondContact N-O 3.43Å; F113-Q144 HydrophobicContact CD1-CB 4.36Å; F113-Q144 HydrophobicContact CE1-CB 3.79Å; F113-Q144 HydrophobicContact CE1-CG 3.92Å; F113-Q144 HydrophobicContact CZ-CB 4.08Å; F113-Q144 VanDerWaalsContact CZ-CD 3.42Å; F113-Q144 HydrophobicContact CZ-CG 4.03Å
114	T	74.1	Confident	78.8	Confident	48 Å²	48	71.5 Å²	71.5	29%	0.294	40%	0.402	S	S	.	.	S	Bend	trans	-102.4	139.7	172.5	59.4	0	0	0	0	110	Y116	T114-Y116 PolarHBondContact O-N 3.28Å
115	P	62.9	Low	78.8	Confident	107 Å²	107	69.1 Å²	69.1	70%	0.695	39%	0.389	S	S	*	.			trans	-62.3	130.7	167.1	25.3	-30	0	0	0	108.5	V117	P115-V117 WeakPolarHBondContact O-CG2 3.43Å; P115-V117 PolarHBondContact O-N 3.41Å; P115-V117 VanDerWaalsContact O-N 3.17Å
116	Y	62	Low	78.8	Confident	52 Å²	52	65.8 Å²	65.8	20%	0.204	36%	0.355	C	S	.	.			trans	-61	112.3	178.5	179.1	-84.5	0	0	0	109.7	Q93 A97 W100 T114 P145	Q93-Y116 PolarHBondContact NE2-OH 3.4Å; Q93-Y116 VanDerWaalsContact OE1-CE2 3.29Å; Q93-Y116 PolarHBondContact OE1-OH 2.76Å; A97-Y116 HydrophobicContact CB-CE1 4.44Å; W100-Y116 HydrophobicContact CH2-CD2 4.31Å; W100-Y116 HydrophobicContact CH2-CE2 4.02Å; W100-Y116 AromaticContact CZ2-CD2 3.88Å; W100-Y116 HydrophobicContact CZ2-CD2 3.88Å; W100-Y116 AromaticContact CZ2-CE2 3.81Å; W100-Y116 HydrophobicContact CZ2-CE2 3.81Å; T114-Y116 PolarHBondContact O-N 3.28Å; Y116-P145 HydrophobicContact CD2-CB 4.46Å; Y116-P145 HydrophobicContact CD2-CG 3.88Å; Y116-P145 HydrophobicContact CE2-CG 4.48Å
117	V	55.5	Low	78.7	Confident	121 Å²	121	64.8 Å²	64.8	73%	0.733	35%	0.347	S	S	*	.			trans	-130.3	36.6	179.1	-137.5	0	0	0	0	113	P115	P115-V117 WeakPolarHBondContact O-CG2 3.43Å; P115-V117 PolarHBondContact O-N 3.41Å; P115-V117 VanDerWaalsContact O-N 3.17Å
118	F	61	Low	78.7	Confident	53 Å²	53	56.1 Å²	56.1	23%	0.232	31%	0.309	C	S	.	.	S	Bend	trans	-86	139.3	167.8	-68.4	-71.3	0	0	0	110.2	N120 P145 F147	F118-N120 PolarHBondContact O-N 2.61Å; F118-P145 HydrophobicContact CE2-CG 4.49Å; F118-P145 WeakPolarHBondContact CE2-O 3.2Å; F118-F147 HydrophobicContact CD1-CZ 4.36Å; F118-F147 HydrophobicContact CE1-CE1 4.45Å; F118-F147 AromaticContact CE1-CE2 3.92Å; F118-F147 HydrophobicContact CE1-CE2 3.92Å; F118-F147 AromaticContact CE1-CZ 3.88Å; F118-F147 HydrophobicContact CE1-CZ 3.88Å
119	P	58.3	Low	78.6	Confident	82 Å²	82	53.7 Å²	53.7	53%	0.532	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-51.6	141.6	176.6	4.7	-9.7	0	0	0	110.1	N121 H122	P119-N121 PolarHBondContact O-N 3.17Å; P119-H122 PolarHBondContact O-CD2 3.34Å
120	N	59.4	Low	78.1	Confident	134 Å²	134	50.8 Å²	50.8	72%	0.717	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	139.5	171.9	-61.7	-33.3	0	0	0	108.2	F118	F118-N120 PolarHBondContact O-N 2.61Å
121	N	61.4	Low	77.7	Confident	111 Å²	111	50.9 Å²	50.9	59%	0.594	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	29.1	-179.3	-149.9	23.8	0	0	0	117.9	Q95 P119	Q95-N121 WeakPolarHBondContact O-CA 3.46Å; P119-N121 PolarHBondContact O-N 3.17Å
122	H	70.3	Confident	77.1	Confident	89 Å²	89	55.8 Å²	55.8	41%	0.412	29%	0.293	S	S	.	.			trans	-119.9	140.2	171.1	-71.2	-81.8	0	0	0	113.1	Q93 P119	Q93-H122 PolarHBondContact NE2-O 2.69Å; P119-H122 PolarHBondContact O-CD2 3.34Å
123	T	80.6	Confident	76.5	Confident	60 Å²	60	57.2 Å²	57.2	37%	0.368	30%	0.303	S	S	.	.			trans	-70	126.5	164.8	-58.3	0	0	0	0	108.4	Q93	Q93-T123 VanDerWaalsContact O-CA 3.32Å; Q93-T123 WeakPolarHBondContact O-CA 3.37Å; Q93-T123 VanDerWaalsContact O-CG2 3.28Å; Q93-T123 WeakPolarHBondContact O-CG2 3.14Å
124	S	90	Very high	75.9	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	143.8	176.8	-59.3	0	0	0	0	109.7	S92 Q93	S92-S124 CarbonylContact C-O 3.57Å; S92-S124 WeakPolarHBondContact CA-O 3.31Å; Q93-S124 PolarHBondContact N-O 2.52Å; Q93-S124 PolarHBondContact O-N 2.87Å
125	C	94.1	Very high	75.7	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147.4	179.9	-66.4	0	0	0	0	109.3	W46 W88 P145 T146 C148	W46-C125 HydrophobicContact CB-CB 3.8Å; W46-C125 VanDerWaalsContact CB-SG 3.6Å; W46-C125 VanDerWaalsContact CD1-CB 3.48Å; W46-C125 HydrophobicContact CD2-CB 4.09Å; W46-C125 HydrophobicContact CG-CB 3.49Å; W46-C125 VanDerWaalsContact CG-CB 3.49Å; W88-C125 HydrophobicContact CE3-CB 4.29Å; W88-C125 HydrophobicContact CH2-CB 4.4Å; W88-C125 HydrophobicContact CZ3-CB 3.9Å; C125-P145 CarbonylContact O-C 3.54Å; C125-P145 WeakPolarHBondContact O-CA 3.42Å; C125-T146 PolarHBondContact N-O 3.36Å; C125-T146 PolarHBondContact O-N 3.28Å; C125-C148 HydrophobicContact CB-CB 3.84Å; C125-C148 WeakPolarHBondContact CB-SG 3.08Å; C125-C148 PolarHBondContact N-SG 2.98Å; C125-C148 VanDerWaalsContact N-SG 3.38Å; C125-C148 WeakPolarHBondContact SG-CB 3.44Å; C125-C148 CovalentContact SG-SG 2.03Å; C125-C148 PolarHBondContact SG-SG 2.6Å
126	V	94.7	Very high	76.3	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.4	-169.1	177.6	0	0	0	0	110.4	T89 L91 W100 F112 T143 Q144 P145	T89-V126 PolarHBondContact N-O 3.1Å; T89-V126 WeakPolarHBondContact OG1-CB 3.46Å; T89-V126 PolarHBondContact OG1-O 2.78Å; L91-V126 HydrophobicContact CB-CB 3.83Å; L91-V126 HydrophobicContact CB-CG1 4.32Å; L91-V126 HydrophobicContact CB-CG2 3.89Å; L91-V126 HydrophobicContact CD2-CB 4.42Å; L91-V126 HydrophobicContact CD2-CG1 4.38Å; L91-V126 HydrophobicContact CD2-CG2 3.94Å; L91-V126 HydrophobicContact CG-CB 4.42Å; L91-V126 HydrophobicContact CG-CG2 3.96Å; L91-V126 WeakPolarHBondContact O-CB 3.06Å; L91-V126 WeakPolarHBondContact O-CG2 3.26Å; L91-V126 PolarHBondContact O-N 3.44Å; W100-V126 HydrophobicContact CE3-CG2 3.92Å; W100-V126 HydrophobicContact CH2-CG2 4.15Å; W100-V126 HydrophobicContact CZ3-CG2 3.41Å; W100-V126 VanDerWaalsContact CZ3-CG2 3.41Å; F112-V126 HydrophobicContact CE1-CG1 3.93Å; F112-V126 HydrophobicContact CE1-CG2 4.01Å; F112-V126 HydrophobicContact CZ-CG2 4.17Å; V126-T143 VanDerWaalsContact CG1-CB 3.48Å; V126-T143 HydrophobicContact CG1-CG2 4.08Å; V126-Q144 WeakPolarHBondContact CA-O 3.06Å; V126-P145 HydrophobicContact CG2-CB 4.47Å
127	E	94.6	Very high	77.2	Confident	5 Å²	5	62 Å²	62	2%	0.023	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	151.1	171.1	56.1	177.1	-157.3	0	0	110.7	H86 A87 W88 V129 T143 Q144 T146 R152	H86-E127 IonicContact CD2-OE2 2.76Å; H86-E127 PolarHBondContact CD2-OE2 2.8Å; H86-E127 IonicContact CE1-OE2 2.85Å; H86-E127 VanDerWaalsContact NE2-CD 3.26Å; H86-E127 IonicContact NE2-OE1 3.06Å; H86-E127 PolarHBondContact NE2-OE1 2.03Å; H86-E127 IonicContact NE2-OE2 2.66Å; H86-E127 PolarHBondContact NE2-OE2 2.81Å; A87-E127 CarbonylContact O-C 3.43Å; A87-E127 VanDerWaalsContact O-CA 3.23Å; A87-E127 WeakPolarHBondContact O-CA 3.47Å; A87-E127 WeakPolarHBondContact O-CB 3.48Å; W88-E127 HydrophobicContact CE3-CB 3.88Å; W88-E127 HydrophobicContact CZ3-CB 3.96Å; W88-E127 HydrophobicContact CZ3-CG 4.41Å; E127-V129 HydrophobicContact CB-CG2 4.48Å; E127-V129 HydrophobicContact CG-CG2 3.88Å; E127-V129 WeakPolarHBondContact OE1-CG2 3.3Å; E127-T143 CarbonylContact O-C 3.46Å; E127-T143 VanDerWaalsContact O-CA 3.27Å; E127-T143 WeakPolarHBondContact O-CA 3.49Å; E127-T143 VanDerWaalsContact O-CB 3.28Å; E127-T143 WeakPolarHBondContact O-CB 3.37Å; E127-Q144 HydrophobicContact CG-CG 3.8Å; E127-Q144 PolarHBondContact N-O 3.42Å; E127-Q144 PolarHBondContact O-N 3.14Å; E127-Q144 PolarHBondContact OE1-NE2 3.12Å; E127-T146 HydrophobicContact CG-CG2 3.81Å; E127-R152 IonicContact OE2-NE 3.44Å; E127-R152 PolarHBondContact OE2-NE 3.39Å
128	I	94.5	Very high	78.3	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130.2	162.2	-170.3	170.3	0	0	0	108.1	L65 V74 A75 I85 H86 A87 T89 T143 L155	L65-I128 HydrophobicContact CD1-CD1 4.26Å; V74-I128 HydrophobicContact CG2-CD1 3.64Å; A75-I128 HydrophobicContact CB-CD1 4.14Å; I85-I128 HydrophobicContact CD1-CG2 3.6Å; I85-I128 HydrophobicContact CG1-CG2 3.97Å; I85-I128 HydrophobicContact CG2-CD1 4.26Å; I85-I128 HydrophobicContact CG2-CG1 4.07Å; I85-I128 HydrophobicContact CG2-CG2 4.21Å; H86-I128 WeakPolarHBondContact CA-O 3.4Å; A87-I128 HydrophobicContact CB-CG2 4.33Å; A87-I128 PolarHBondContact N-O 2.77Å; A87-I128 VanDerWaalsContact N-O 3.1Å; A87-I128 PolarHBondContact O-N 3.21Å; T89-I128 HydrophobicContact CG2-CB 4.19Å; T89-I128 HydrophobicContact CG2-CG2 4.38Å; I128-T143 HydrophobicContact CB-CG2 4.12Å; I128-T143 HydrophobicContact CG1-CG2 4.36Å; I128-L155 HydrophobicContact CG2-CD2 4.3Å
129	V	89.3	Confident	79.5	Confident	10 Å²	10	63.1 Å²	63.1	6%	0.061	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	117.4	177.8	-175.7	0	0	0	0	107.3	I85 F113 E127 V134 Q144	I85-V129 WeakPolarHBondContact O-CA 3.21Å; F113-V129 HydrophobicContact CE1-CB 4.48Å; E127-V129 HydrophobicContact CB-CG2 4.48Å; E127-V129 HydrophobicContact CG-CG2 3.88Å; E127-V129 WeakPolarHBondContact OE1-CG2 3.3Å; V129-V134 HydrophobicContact CG1-CG2 4.33Å; V129-V134 WeakPolarHBondContact O-CG1 3.49Å; V129-Q144 HydrophobicContact CG2-CG 4.39Å
130	D	83.5	Confident	81	Confident	10 Å²	10	60.9 Å²	60.9	5%	0.053	30%	0.3	C	S	.	.			trans	-137.8	62.3	179.5	-160.2	-4	0	0	0	111.4	A75 G84 I85 T140 G141	A75-D130 HydrophobicContact CB-CB 4.07Å; A75-D130 WeakPolarHBondContact CB-OD2 3.23Å; G84-D130 VanDerWaalsContact CA-O 3.28Å; G84-D130 WeakPolarHBondContact CA-O 3.36Å; I85-D130 HydrophobicContact CG2-CB 3.75Å; I85-D130 PolarHBondContact O-N 2.78Å; D130-T140 WeakPolarHBondContact OD2-CA 3.27Å; D130-T140 WeakPolarHBondContact OD2-CB 3.46Å; D130-T140 WeakPolarHBondContact OD2-CG2 3.3Å; D130-G141 PolarHBondContact OD2-N 3.46Å
131	N	80.8	Confident	82.5	Confident	47 Å²	47	54.6 Å²	54.6	25%	0.251	27%	0.268	S	S	.	.			trans	-84.2	174.9	173.9	66.2	29.2	0	0	0	111.4	D83 L133 V134 E135	D83-N131 WeakPolarHBondContact O-CA 3.39Å; D83-N131 VanDerWaalsContact O-CB 3.27Å; D83-N131 WeakPolarHBondContact O-CB 3.35Å; N131-L133 PolarHBondContact O-N 2.78Å; N131-L133 VanDerWaalsContact O-N 3.08Å; N131-L133 WeakPolarHBondContact OD1-CB 3.27Å; N131-L133 PolarHBondContact OD1-N 3.44Å; N131-L133 VanDerWaalsContact OD1-N 3.12Å; N131-V134 WeakPolarHBondContact O-CA 3.45Å; N131-V134 WeakPolarHBondContact O-CB 3.26Å; N131-V134 PolarHBondContact O-N 2.83Å; N131-V134 WeakPolarHBondContact OD1-CG2 3.28Å; N131-V134 PolarHBondContact OD1-N 2.89Å; N131-V134 VanDerWaalsContact OD1-N 3.12Å; N131-E135 PolarHBondContact O-N 2.57Å
132	W	77.2	Confident	84	Confident	138 Å²	138	52.1 Å²	52.1	52%	0.523	25%	0.251	S	S	.	.	H	α-helix	trans	-55.1	-31	-177.8	81.5	-79.3	0	0	0	114.4	I82 L136	I82-W132 PolarHBondContact O-N 2.8Å; W132-L136 HydrophobicContact CD2-CD1 4.44Å; W132-L136 HydrophobicContact CE3-CD1 3.36Å; W132-L136 HydrophobicContact CE3-CG 4.14Å; W132-L136 HydrophobicContact CH2-CD1 4.15Å; W132-L136 HydrophobicContact CZ3-CD1 3.21Å; W132-L136 HydrophobicContact CZ3-CG 4.38Å; W132-L136 WeakPolarHBondContact O-CG 3.27Å; W132-L136 PolarHBondContact O-N 3.45Å
133	L	76.1	Confident	85.1	Confident	81 Å²	81	48.1 Å²	48.1	42%	0.424	23%	0.233	S	C	.	.	H	α-helix	trans	-69.3	-41.7	175.5	-68.4	173.4	0	0	0	111.1	N131 E135 L136 F137	N131-L133 PolarHBondContact O-N 2.78Å; N131-L133 VanDerWaalsContact O-N 3.08Å; N131-L133 WeakPolarHBondContact OD1-CB 3.27Å; N131-L133 PolarHBondContact OD1-N 3.44Å; N131-L133 VanDerWaalsContact OD1-N 3.12Å; L133-E135 VanDerWaalsContact C-N 3.33Å; L133-L136 PolarHBondContact O-N 2.97Å; L133-F137 WeakPolarHBondContact O-CD2 3.45Å; L133-F137 PolarHBondContact O-N 2.85Å
134	V	74	Confident	85.6	Confident	10 Å²	10	47 Å²	47	6%	0.061	22%	0.224	C	C	.	.	H	α-helix	trans	-63.4	-41.8	176.3	176.4	0	0	0	0	110.6	F113 V129 N131 F137 Q138 N139	F113-V134 HydrophobicContact CZ-CG2 4.42Å; V129-V134 HydrophobicContact CG1-CG2 4.33Å; V129-V134 WeakPolarHBondContact O-CG1 3.49Å; N131-V134 WeakPolarHBondContact O-CA 3.45Å; N131-V134 WeakPolarHBondContact O-CB 3.26Å; N131-V134 PolarHBondContact O-N 2.83Å; N131-V134 WeakPolarHBondContact OD1-CG2 3.28Å; N131-V134 PolarHBondContact OD1-N 2.89Å; N131-V134 VanDerWaalsContact OD1-N 3.12Å; V134-F137 CarbonylContact O-C 3.6Å; V134-F137 PolarHBondContact O-N 3.32Å; V134-Q138 PolarHBondContact O-N 3.27Å; V134-N139 VanDerWaalsContact CG1-C 3.48Å; V134-N139 HydrophobicContact CG1-CB 3.44Å; V134-N139 VanDerWaalsContact CG1-CB 3.44Å; V134-N139 VanDerWaalsContact CG1-O 3.25Å; V134-N139 WeakPolarHBondContact CG1-O 3.37Å; V134-N139 WeakPolarHBondContact O-CB 3.49Å; V134-N139 PolarHBondContact O-N 2.86Å
135	E	70.1	Confident	85.7	Confident	90 Å²	90	47.2 Å²	47.2	42%	0.421	23%	0.225	S	C	.	.	H	α-helix	trans	-61.9	-43.2	176.1	-171.9	168.1	-153.6	0	0	111.7	K79 N131 L133 F137 Q138	K79-E135 IonicContact NZ-OE1 2.61Å; K79-E135 PolarHBondContact NZ-OE1 2.8Å; K79-E135 IonicContact NZ-OE2 3.46Å; K79-E135 PolarHBondContact NZ-OE2 3.5Å; N131-E135 PolarHBondContact O-N 2.57Å; L133-E135 VanDerWaalsContact C-N 3.33Å; E135-F137 VanDerWaalsContact C-N 3.27Å; E135-F137 PolarHBondContact O-N 3.12Å; E135-Q138 PolarHBondContact O-N 3.08Å
136	L	75.7	Confident	85.5	Confident	111 Å²	111	48.1 Å²	48.1	58%	0.581	23%	0.231	S	C	*	.	H	α-helix	trans	-59.3	-35.9	175.2	-79.5	176.6	0	0	0	113.3	W132 L133 Q138	W132-L136 HydrophobicContact CD2-CD1 4.44Å; W132-L136 HydrophobicContact CE3-CD1 3.36Å; W132-L136 HydrophobicContact CE3-CG 4.14Å; W132-L136 HydrophobicContact CH2-CD1 4.15Å; W132-L136 HydrophobicContact CZ3-CD1 3.21Å; W132-L136 HydrophobicContact CZ3-CG 4.38Å; W132-L136 WeakPolarHBondContact O-CG 3.27Å; W132-L136 PolarHBondContact O-N 3.45Å; L133-L136 PolarHBondContact O-N 2.97Å; L136-Q138 VanDerWaalsContact C-N 3.26Å; L136-Q138 PolarHBondContact O-N 3.23Å
137	F	79.3	Confident	85.3	Confident	145 Å²	145	53.4 Å²	53.4	64%	0.636	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	16.6	177.3	-64.4	-63.5	0	0	0	113.5	L133 V134 E135 N139	L133-F137 WeakPolarHBondContact O-CD2 3.45Å; L133-F137 PolarHBondContact O-N 2.85Å; V134-F137 CarbonylContact O-C 3.6Å; V134-F137 PolarHBondContact O-N 3.32Å; E135-F137 VanDerWaalsContact C-N 3.27Å; E135-F137 PolarHBondContact O-N 3.12Å; F137-N139 WeakPolarHBondContact CB-ND2 3.29Å; F137-N139 VanDerWaalsContact O-CG 3.31Å; F137-N139 PolarHBondContact O-N 3.32Å; F137-N139 PolarHBondContact O-ND2 2.84Å; F137-N139 PolarHBondContact O-OD1 2.95Å
138	Q	80.7	Confident	85.3	Confident	174 Å²	174	53.3 Å²	53.3	81%	0.813	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	32.8	179.6	-59	-177.4	-14.6	0	0	113.5	V134 E135 L136	V134-Q138 PolarHBondContact O-N 3.27Å; E135-Q138 PolarHBondContact O-N 3.08Å; L136-Q138 VanDerWaalsContact C-N 3.26Å; L136-Q138 PolarHBondContact O-N 3.23Å
139	N	85.3	Confident	85.3	Confident	25 Å²	25	61.3 Å²	61.3	13%	0.134	29%	0.285	C	S	.	.			trans	-102.3	18.3	-177.3	-70.3	-36.6	0	0	0	112.1	F113 V134 F137 G141 K142	F113-N139 HydrophobicContact CB-CB 3.91Å; F113-N139 HydrophobicContact CG-CB 4.39Å; V134-N139 VanDerWaalsContact CG1-C 3.48Å; V134-N139 HydrophobicContact CG1-CB 3.44Å; V134-N139 VanDerWaalsContact CG1-CB 3.44Å; V134-N139 VanDerWaalsContact CG1-O 3.25Å; V134-N139 WeakPolarHBondContact CG1-O 3.37Å; V134-N139 WeakPolarHBondContact O-CB 3.49Å; V134-N139 PolarHBondContact O-N 2.86Å; F137-N139 WeakPolarHBondContact CB-ND2 3.29Å; F137-N139 VanDerWaalsContact O-CG 3.31Å; F137-N139 PolarHBondContact O-N 3.32Å; F137-N139 PolarHBondContact O-ND2 2.84Å; F137-N139 PolarHBondContact O-OD1 2.95Å; N139-G141 PolarHBondContact O-N 3.07Å; N139-K142 HydrophobicContact CB-CB 4.36Å; N139-K142 HydrophobicContact CB-CD 3.91Å; N139-K142 HydrophobicContact CB-CG 4.33Å; N139-K142 WeakPolarHBondContact O-CB 3.45Å; N139-K142 WeakPolarHBondContact O-CG 3.42Å; N139-K142 PolarHBondContact O-N 3.11Å; N139-K142 VanDerWaalsContact OD1-CD 3.31Å; N139-K142 WeakPolarHBondContact OD1-CD 3.49Å; N139-K142 WeakPolarHBondContact OD1-CE 3.42Å; N139-K142 PolarHBondContact OD1-NZ 2.68Å
140	T	89.1	Confident	85.6	Confident	34 Å²	34	64.2 Å²	64.2	21%	0.209	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	129.1	178.5	-60.4	0	0	0	0	111.6	D130 K142	D130-T140 WeakPolarHBondContact OD2-CA 3.27Å; D130-T140 WeakPolarHBondContact OD2-CB 3.46Å; D130-T140 WeakPolarHBondContact OD2-CG2 3.3Å; T140-K142 PolarHBondContact O-N 3.25Å
141	G	91.9	Very high	86.2	Confident	3 Å²	3	71 Å²	71	3%	0.031	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	71	6.1	-176.4	0	0	0	0	0	115.1	S71 D130 N139	S71-G141 VanDerWaalsContact CB-O 3.23Å; S71-G141 WeakPolarHBondContact CB-O 3.45Å; S71-G141 PolarHBondContact OG-O 3.28Å; D130-G141 PolarHBondContact OD2-N 3.46Å; N139-G141 PolarHBondContact O-N 3.07Å
142	K	92.8	Very high	86.9	Confident	58 Å²	58	72.2 Å²	72.2	25%	0.252	33%	0.325	S	S	.	.			trans	-77.9	155.2	171.8	-66.4	-171.5	-176.9	171.6	0	110.9	S111 F113 N139 T140	S111-K142 WeakPolarHBondContact O-CA 3.18Å; S111-K142 VanDerWaalsContact O-CB 3.3Å; S111-K142 WeakPolarHBondContact O-CB 3.44Å; F113-K142 HydrophobicContact CB-CB 3.8Å; F113-K142 HydrophobicContact CB-CD 3.59Å; F113-K142 HydrophobicContact CB-CG 4.35Å; F113-K142 HydrophobicContact CD1-CB 3.83Å; F113-K142 HydrophobicContact CG-CB 4.3Å; N139-K142 HydrophobicContact CB-CB 4.36Å; N139-K142 HydrophobicContact CB-CD 3.91Å; N139-K142 HydrophobicContact CB-CG 4.33Å; N139-K142 WeakPolarHBondContact O-CB 3.45Å; N139-K142 WeakPolarHBondContact O-CG 3.42Å; N139-K142 PolarHBondContact O-N 3.11Å; N139-K142 VanDerWaalsContact OD1-CD 3.31Å; N139-K142 WeakPolarHBondContact OD1-CD 3.49Å; N139-K142 WeakPolarHBondContact OD1-CE 3.42Å; N139-K142 PolarHBondContact OD1-NZ 2.68Å; T140-K142 PolarHBondContact O-N 3.25Å
143	T	93.3	Very high	87.9	Confident	5 Å²	5	69 Å²	69	3%	0.031	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	171.5	178.8	56.8	0	0	0	0	110.7	L65 T89 S111 F112 F113 V126 E127 I128	L65-T143 HydrophobicContact CD1-CG2 4.33Å; T89-T143 HydrophobicContact CG2-CG2 4.25Å; S111-T143 PolarHBondContact O-N 3.26Å; F112-T143 VanDerWaalsContact CA-O 3.27Å; F112-T143 WeakPolarHBondContact CA-O 3.42Å; F112-T143 VanDerWaalsContact CD1-OG1 3.3Å; F112-T143 WeakPolarHBondContact CD1-OG1 3.46Å; F112-T143 WeakPolarHBondContact CE1-OG1 3.23Å; F113-T143 VanDerWaalsContact CD1-O 3.26Å; F113-T143 WeakPolarHBondContact CD1-O 3.47Å; F113-T143 PolarHBondContact N-O 3.43Å; V126-T143 VanDerWaalsContact CG1-CB 3.48Å; V126-T143 HydrophobicContact CG1-CG2 4.08Å; E127-T143 CarbonylContact O-C 3.46Å; E127-T143 VanDerWaalsContact O-CA 3.27Å; E127-T143 WeakPolarHBondContact O-CA 3.49Å; E127-T143 VanDerWaalsContact O-CB 3.28Å; E127-T143 WeakPolarHBondContact O-CB 3.37Å; I128-T143 HydrophobicContact CB-CG2 4.12Å; I128-T143 HydrophobicContact CG1-CG2 4.36Å
144	Q	91.2	Very high	88.9	Confident	38 Å²	38	65.1 Å²	65.1	18%	0.178	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	144.8	168.3	62.3	-179.3	-7.4	0	0	111.1	F113 V126 E127 V129	F113-Q144 HydrophobicContact CD1-CB 4.36Å; F113-Q144 HydrophobicContact CE1-CB 3.79Å; F113-Q144 HydrophobicContact CE1-CG 3.92Å; F113-Q144 HydrophobicContact CZ-CB 4.08Å; F113-Q144 VanDerWaalsContact CZ-CD 3.42Å; F113-Q144 HydrophobicContact CZ-CG 4.03Å; V126-Q144 WeakPolarHBondContact CA-O 3.06Å; E127-Q144 HydrophobicContact CG-CG 3.8Å; E127-Q144 PolarHBondContact N-O 3.42Å; E127-Q144 PolarHBondContact O-N 3.14Å; E127-Q144 PolarHBondContact OE1-NE2 3.12Å; V129-Q144 HydrophobicContact CG2-CG 4.39Å
145	P	91.5	Very high	90.1	Very high	6 Å²	6	64.7 Å²	64.7	4%	0.039	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	144.8	168.1	32.5	-33	0	0	0	110.6	W100 Y116 F118 C125 V126	W100-P145 HydrophobicContact CH2-CB 3.64Å; W100-P145 HydrophobicContact CH2-CG 4.33Å; W100-P145 HydrophobicContact CZ2-CB 4.48Å; W100-P145 HydrophobicContact CZ3-CB 4.38Å; Y116-P145 HydrophobicContact CD2-CB 4.46Å; Y116-P145 HydrophobicContact CD2-CG 3.88Å; Y116-P145 HydrophobicContact CE2-CG 4.48Å; F118-P145 HydrophobicContact CE2-CG 4.49Å; F118-P145 WeakPolarHBondContact CE2-O 3.2Å; C125-P145 CarbonylContact O-C 3.54Å; C125-P145 WeakPolarHBondContact O-CA 3.42Å; V126-P145 HydrophobicContact CG2-CB 4.47Å
146	T	90.7	Very high	91.4	Very high	20 Å²	20	60.4 Å²	60.4	12%	0.123	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	-178.4	176.3	-169.9	0	0	0	0	110.9	W88 C125 E127 C148 H150	W88-T146 HydrophobicContact CH2-CG2 3.54Å; W88-T146 HydrophobicContact CZ3-CG2 3.57Å; C125-T146 PolarHBondContact N-O 3.36Å; C125-T146 PolarHBondContact O-N 3.28Å; E127-T146 HydrophobicContact CG-CG2 3.81Å; T146-C148 PolarHBondContact O-N 3.48Å; T146-H150 PolarHBondContact OG1-CD2 3.44Å
147	F	90.8	Very high	92.5	Very high	111 Å²	111	55.7 Å²	55.7	49%	0.487	25%	0.247	S	C	.	.			trans	-66.4	126.9	177.6	-63.1	-75.7	0	0	0	111.8	W88 F118 Y149 H150	W88-F147 VanDerWaalsContact CH2-O 3.29Å; W88-F147 WeakPolarHBondContact CH2-O 3.23Å; F118-F147 HydrophobicContact CD1-CZ 4.36Å; F118-F147 HydrophobicContact CE1-CE1 4.45Å; F118-F147 AromaticContact CE1-CE2 3.92Å; F118-F147 HydrophobicContact CE1-CE2 3.92Å; F118-F147 AromaticContact CE1-CZ 3.88Å; F118-F147 HydrophobicContact CE1-CZ 3.88Å; F147-Y149 PolarHBondContact O-N 3.22Å; F147-H150 AromaticContact CD2-NE2 3.91Å; F147-H150 PolarHBondContact O-CD2 3.38Å; F147-H150 VanDerWaalsContact O-CD2 3.23Å; F147-H150 PolarHBondContact O-N 2.94Å
148	C	93.6	Very high	93.4	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.027	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-12.1	-176.3	-58.8	0	0	0	0	115.8	T45 W46 F47 C125 T146	T45-C148 WeakPolarHBondContact CB-O 3.16Å; W46-C148 HydrophobicContact CB-CB 4.16Å; W46-C148 PolarHBondContact N-O 2.84Å; F47-C148 HydrophobicContact CE2-CB 3.86Å; F47-C148 HydrophobicContact CZ-CB 4.07Å; C125-C148 HydrophobicContact CB-CB 3.84Å; C125-C148 WeakPolarHBondContact CB-SG 3.08Å; C125-C148 PolarHBondContact N-SG 2.98Å; C125-C148 VanDerWaalsContact N-SG 3.38Å; C125-C148 WeakPolarHBondContact SG-CB 3.44Å; C125-C148 CovalentContact SG-SG 2.03Å; C125-C148 PolarHBondContact SG-SG 2.6Å; T146-C148 PolarHBondContact O-N 3.48Å
149	Y	94.4	Very high	94.1	Very high	168 Å²	168	44.8 Å²	44.8	66%	0.659	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	2.2	-174	-63.9	-82.1	0	0	0	114	T45 F47 F147	T45-Y149 HydrophobicContact CG2-CD1 4.44Å; F47-Y149 HydrophobicContact CD2-CE1 4.29Å; F47-Y149 HydrophobicContact CE2-CD1 4.37Å; F47-Y149 AromaticContact CE2-CE1 3.8Å; F47-Y149 HydrophobicContact CE2-CE1 3.8Å; F47-Y149 HydrophobicContact CE2-CE2 4.3Å; F47-Y149 AromaticContact CE2-CZ 3.77Å; F147-Y149 PolarHBondContact O-N 3.22Å
150	H	94.7	Very high	94.4	Very high	70 Å²	70	45.4 Å²	45.4	32%	0.324	21%	0.209	S	C	.	.	S	Bend	trans	-66.1	141.2	171.4	-68.2	-55.4	0	0	0	111.2	G44 W88 T146 F147 R152	G44-H150 VanDerWaalsContact O-O 3.07Å; W88-H150 HydrophobicContact CH2-CB 4.21Å; W88-H150 HydrophobicContact CZ2-CB 3.82Å; W88-H150 VanDerWaalsContact CZ2-O 3.27Å; W88-H150 WeakPolarHBondContact CZ2-O 3.45Å; W88-H150 PolarHBondContact NE1-O 2.85Å; T146-H150 PolarHBondContact OG1-CD2 3.44Å; F147-H150 AromaticContact CD2-NE2 3.91Å; F147-H150 PolarHBondContact O-CD2 3.38Å; F147-H150 VanDerWaalsContact O-CD2 3.23Å; F147-H150 PolarHBondContact O-N 2.94Å; H150-R152 HydrophobicContact CB-CG 4.34Å; H150-R152 PolarHBondContact O-N 3.44Å
151	Y	97	Very high	94	Very high	153 Å²	153	49.5 Å²	49.5	60%	0.6	23%	0.234	S	C	*	.			trans	-83	113.4	173.2	-82.9	-116.1	0	0	0	109.2	G44 T45	G44-Y151 WeakPolarHBondContact O-CA 2.99Å; T45-Y151 HydrophobicContact CG2-CD2 4.49Å; T45-Y151 HydrophobicContact CG2-CE2 4.07Å
152	R	95.8	Very high	92.8	Very high	73 Å²	73	54.2 Å²	54.2	28%	0.275	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-140.6	163.9	179.6	-55.6	-67.4	-179.8	-136.7	10.5	110	M43 G44 H86 W88 E127 H150	M43-R152 CarbonylContact C-O 3.54Å; M43-R152 VanDerWaalsContact CA-O 3.27Å; M43-R152 WeakPolarHBondContact CA-O 3.32Å; G44-R152 PolarHBondContact N-O 2.97Å; G44-R152 PolarHBondContact O-N 2.03Å; H86-R152 PolarHBondContact CE1-NE 2.93Å; H86-R152 PolarHBondContact CE1-NH2 3.34Å; H86-R152 VanDerWaalsContact CE1-NH2 3.32Å; H86-R152 WeakPolarHBondContact NE2-CD 3.34Å; H86-R152 PolarHBondContact NE2-NE 2.8Å; W88-R152 HydrophobicContact CD2-CB 4.41Å; W88-R152 HydrophobicContact CD2-CG 4.46Å; W88-R152 HydrophobicContact CG-CB 4.3Å; W88-R152 HydrophobicContact CZ2-CG 4.06Å; E127-R152 IonicContact OE2-NE 3.44Å; E127-R152 PolarHBondContact OE2-NE 3.39Å; H150-R152 HydrophobicContact CB-CG 4.34Å; H150-R152 PolarHBondContact O-N 3.44Å
153	K	97.5	Very high	91.2	Very high	70 Å²	70	57.2 Å²	57.2	30%	0.304	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	158.4	162.5	-66.3	-176.2	168.9	-166.4	0	109.9	S40 M43 A87 W88	S40-K153 VanDerWaalsContact O-CD 3.24Å; S40-K153 WeakPolarHBondContact O-CD 2.91Å; S40-K153 WeakPolarHBondContact O-CE 3.37Å; S40-K153 WeakPolarHBondContact O-CG 3.08Å; S40-K153 WeakPolarHBondContact OG-CA 3.29Å; M43-K153 HydrophobicContact CE-CG 4.33Å; M43-K153 HydrophobicContact CG-CG 4.09Å; A87-K153 CarbonylContact C-O 3.56Å; A87-K153 WeakPolarHBondContact CA-O 3.36Å; A87-K153 HydrophobicContact CB-CB 4.29Å; A87-K153 WeakPolarHBondContact CB-O 3.46Å; W88-K153 PolarHBondContact N-O 3.01Å
154	A	98.3	Very high	89.6	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132.9	169.9	0	0	0	0	0	109.8	T39 S40 M52 L62	T39-A154 CarbonylContact C-O 3.6Å; T39-A154 WeakPolarHBondContact CA-O 2.96Å; S40-A154 PolarHBondContact N-O 2.85Å; S40-A154 PolarHBondContact OG-N 3.13Å; M52-A154 HydrophobicContact CB-CB 4.33Å; M52-A154 HydrophobicContact SD-CB 4.26Å; L62-A154 HydrophobicContact CD2-CB 3.71Å
155	L	98.4	Very high	87.7	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	114.8	166.3	178	64	0	0	0	107.7	T39 L62 A63 L65 V74 I85 A87 W88 I128	T39-L155 HydrophobicContact CG2-CD1 4.41Å; L62-L155 CarbonylContact C-O 3.54Å; L62-L155 WeakPolarHBondContact CA-O 3.49Å; A63-L155 HydrophobicContact CB-CB 4.35Å; A63-L155 HydrophobicContact CB-CD2 3.89Å; A63-L155 HydrophobicContact CB-CG 3.7Å; A63-L155 WeakPolarHBondContact CB-O 3.21Å; A63-L155 PolarHBondContact N-O 3.03Å; L65-L155 HydrophobicContact CD1-CD2 4.3Å; L65-L155 HydrophobicContact CD2-CD2 4.09Å; V74-L155 HydrophobicContact CB-CD1 4.32Å; V74-L155 HydrophobicContact CB-CD2 4.03Å; V74-L155 HydrophobicContact CG1-CD1 4.41Å; V74-L155 HydrophobicContact CG1-CD2 4.18Å; V74-L155 HydrophobicContact CG2-CD2 3.89Å; I85-L155 HydrophobicContact CD1-CD1 4.19Å; A87-L155 HydrophobicContact CB-CB 4.03Å; W88-L155 VanDerWaalsContact O-CB 3.31Å; W88-L155 WeakPolarHBondContact O-CB 3.32Å; W88-L155 PolarHBondContact O-N 2.98Å; I128-L155 HydrophobicContact CG2-CD2 4.3Å
156	C	98.5	Very high	85.8	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	145.8	-173.6	-58.2	0	0	0	0	111.6	W27 Y37 K38 C53 M56 R61	W27-C156 HydrophobicContact CH2-CB 3.73Å; W27-C156 HydrophobicContact CZ3-CB 3.88Å; Y37-C156 VanDerWaalsContact CA-O 3.27Å; Y37-C156 WeakPolarHBondContact CA-O 3.31Å; K38-C156 PolarHBondContact N-O 3.38Å; K38-C156 VanDerWaalsContact N-O 3.16Å; K38-C156 WeakPolarHBondContact O-CA 3.21Å; K38-C156 VanDerWaalsContact O-CB 3.24Å; K38-C156 WeakPolarHBondContact O-CB 3.27Å; K38-C156 PolarHBondContact O-N 2.69Å; C53-C156 WeakPolarHBondContact CA-SG 3.33Å; C53-C156 HydrophobicContact CB-CB 3.57Å; C53-C156 WeakPolarHBondContact CB-SG 3.28Å; C53-C156 WeakPolarHBondContact SG-CA 3.47Å; C53-C156 WeakPolarHBondContact SG-CB 3.24Å; C53-C156 CovalentContact SG-SG 2.03Å; C53-C156 PolarHBondContact SG-SG 3.06Å; M56-C156 HydrophobicContact CE-CB 3.8Å; M56-C156 WeakPolarHBondContact CE-SG 3.42Å; R61-C156 CarbonylContact O-C 3.58Å; R61-C156 WeakPolarHBondContact O-CA 3.32Å
157	K	98.3	Very high	83.9	Confident	13 Å²	13	80.5 Å²	80.5	6%	0.057	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135.3	178.3	180	-178.9	178.5	173.6	0	110.4	C35 C36 Y37 A60 R61 A63 S64 E70	C35-K157 HydrophobicContact CB-CG 4.12Å; C36-K157 WeakPolarHBondContact O-CA 3.45Å; Y37-K157 HydrophobicContact CD1-CB 4.16Å; Y37-K157 HydrophobicContact CD1-CG 4.23Å; Y37-K157 HydrophobicContact CE1-CB 4.13Å; Y37-K157 HydrophobicContact CE1-CD 3.71Å; Y37-K157 HydrophobicContact CE1-CG 3.78Å; Y37-K157 WeakPolarHBondContact OH-CE 3.48Å; A60-K157 WeakPolarHBondContact CA-O 3.22Å; R61-K157 PolarHBondContact N-O 3.06Å; R61-K157 VanDerWaalsContact N-O 3.07Å; R61-K157 PolarHBondContact O-N 2.91Å; A63-K157 HydrophobicContact CB-CB 3.74Å; A63-K157 HydrophobicContact CB-CD 4.48Å; S64-K157 PolarHBondContact O-NZ 3.04Å; S64-K157 PolarHBondContact OG-NZ 3.34Å; S64-K157 VanDerWaalsContact OG-NZ 3.08Å; E70-K157 WeakPolarHBondContact OE1-CE 3.02Å; E70-K157 IonicContact OE1-NZ 2.78Å; E70-K157 PolarHBondContact OE1-NZ 3.31Å
158	Y	97.1	Very high	82.3	Confident	20 Å²	20	83.3 Å²	83.3	8%	0.078	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	155.3	161	75	-82.5	0	0	0	109.4	C23 N24 W27 C35 C36 Q57 A60 P160	C23-Y158 WeakPolarHBondContact CA-OH 3.44Å; N24-Y158 PolarHBondContact N-OH 3.24Å; N24-Y158 VanDerWaalsContact N-OH 3.08Å; W27-Y158 HydrophobicContact CD2-CD1 4.12Å; W27-Y158 AromaticContact CD2-CE1 3.5Å; W27-Y158 HydrophobicContact CD2-CE1 3.5Å; W27-Y158 AromaticContact CE2-CE1 3.85Å; W27-Y158 AromaticContact CE3-CD1 3.69Å; W27-Y158 HydrophobicContact CE3-CD1 3.69Å; W27-Y158 AromaticContact CE3-CE1 3.5Å; W27-Y158 HydrophobicContact CE3-CE1 3.5Å; W27-Y158 VanDerWaalsContact CE3-CE1 3.5Å; W27-Y158 AromaticContact CG-CE1 3.98Å; W27-Y158 HydrophobicContact CG-CE1 3.98Å; W27-Y158 AromaticContact CH2-CD1 3.95Å; W27-Y158 HydrophobicContact CH2-CD1 3.95Å; W27-Y158 HydrophobicContact CH2-CE1 4.24Å; W27-Y158 HydrophobicContact CZ2-CD1 4.32Å; W27-Y158 HydrophobicContact CZ2-CE1 4.21Å; W27-Y158 AromaticContact CZ3-CD1 3.61Å; W27-Y158 HydrophobicContact CZ3-CD1 3.61Å; W27-Y158 AromaticContact CZ3-CE1 3.9Å; W27-Y158 HydrophobicContact CZ3-CE1 3.9Å; C35-Y158 CarbonylContact C-O 3.55Å; C35-Y158 WeakPolarHBondContact CA-O 3.3Å; C35-Y158 WeakPolarHBondContact CB-O 3.43Å; C36-Y158 HydrophobicContact CB-CD1 3.68Å; C36-Y158 HydrophobicContact CB-CD2 4.45Å; C36-Y158 HydrophobicContact CB-CE1 3.23Å; C36-Y158 HydrophobicContact CB-CE2 4.09Å; C36-Y158 HydrophobicContact CB-CG 4.27Å; C36-Y158 VanDerWaalsContact CB-CZ 3.47Å; C36-Y158 PolarHBondContact N-O 3.48Å; C36-Y158 PolarHBondContact O-N 2.93Å; C36-Y158 VanDerWaalsContact O-N 3.11Å; C36-Y158 VanDerWaalsContact SG-CZ 3.57Å; Q57-Y158 HydrophobicContact CB-CD1 4.22Å; Q57-Y158 HydrophobicContact CB-CE1 4.26Å; Q57-Y158 HydrophobicContact CG-CD1 3.69Å; Q57-Y158 HydrophobicContact CG-CD2 4.13Å; Q57-Y158 HydrophobicContact CG-CE1 3.63Å; Q57-Y158 HydrophobicContact CG-CE2 4.07Å; Q57-Y158 HydrophobicContact CG-CG 3.94Å; A60-Y158 HydrophobicContact CB-CD1 4.33Å; Y158-P160 HydrophobicContact CD2-CG 4.28Å; Y158-P160 HydrophobicContact CE2-CG 3.79Å
159	C	95.2	Very high	80.3	Confident	69 Å²	69	88.8 Å²	88.8	47%	0.466	47%	0.471	S	S	.	.			trans	-120	112.3	177.9	-47.7	0	0	0	0	107.2	C35 V161	C35-C159 HydrophobicContact CB-CB 3.99Å; C35-C159 WeakPolarHBondContact CB-SG 3.34Å; C35-C159 WeakPolarHBondContact SG-CB 3.41Å; C35-C159 CovalentContact SG-SG 2.04Å; C35-C159 PolarHBondContact SG-SG 3.37Å; C159-V161 PolarHBondContact O-N 3.4Å
160	P	91.5	Very high	78.3	Confident	38 Å²	38	86.8 Å²	86.8	25%	0.247	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-51.4	135.7	174.8	-26	33.4	0	0	0	110.8	P22 G34 Y158	P22-P160 HydrophobicContact CB-CB 4.1Å; P22-P160 HydrophobicContact CB-CG 3.9Å; P22-P160 HydrophobicContact CG-CG 4.09Å; G34-P160 WeakPolarHBondContact O-CD 3.37Å; Y158-P160 HydrophobicContact CD2-CG 4.28Å; Y158-P160 HydrophobicContact CE2-CG 3.79Å
161	V	81.3	Confident	76.3	Confident	120 Å²	120	88.3 Å²	88.3	73%	0.727	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-67.3	132	167.1	-174.8	0	0	0	0	106.4	C159	C159-V161 PolarHBondContact O-N 3.4Å
162	P	67	Low	74.2	Confident	102 Å²	102	86.5 Å²	86.5	66%	0.662	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-50.9	138.1	172.4	-24.8	33.8	0	0	0	109.4	E164	P162-E164 PolarHBondContact O-N 3.43Å
163	P	58.6	Low	72.3	Confident	121 Å²	121	88.9 Å²	88.9	79%	0.786	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-55.3	118.6	177.6	21.4	-30.2	0	0	0	108.5	I165	P163-I165 PolarHBondContact O-N 3.17Å; P163-I165 VanDerWaalsContact O-N 3.08Å
164	E	59.6	Low	70.3	Confident	177 Å²	177	93.3 Å²	93.3	83%	0.827	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-57.2	117.1	171.9	-75	-179.1	165.1	0	0	107.2	P162	P162-E164 PolarHBondContact O-N 3.43Å
165	I	52.4	Low	68.5	Low	153 Å²	153	97.1 Å²	97.1	79%	0.785	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-55.5	130.4	168.6	-60	174.4	0	0	0	105.9	P163 S167	P163-I165 PolarHBondContact O-N 3.17Å; P163-I165 VanDerWaalsContact O-N 3.08Å; I165-S167 PolarHBondContact O-N 3.24Å
166	P	51	Low	66.5	Low	118 Å²	118	102.8 Å²	102.8	77%	0.766	62%	0.618	S	S	*	*			trans	-54	110.6	175.7	-21.4	30.7	0	0	0	108.4	E168	P166-E168 PolarHBondContact O-N 2.9Å
167	S	50.4	Low	64.7	Low	111 Å²	111	109.4 Å²	109.4	78%	0.776	66%	0.658	S	S	*	*			trans	-60.3	114.9	170.4	53.6	0	0	0	0	106.6	I165	I165-S167 PolarHBondContact O-N 3.24Å
168	E	58.2	Low	62.7	Low	170 Å²	170	115.1 Å²	115.1	79%	0.794	69%	0.694	S	S	*	*			trans	-41.3	137.3	173.5	-167.5	171	-175.3	0	0	110.2	P166 T170	P166-E168 PolarHBondContact O-N 2.9Å; E168-T170 PolarHBondContact O-N 2.85Å
169	P	50.9	Low	60.8	Low	118 Å²	118	125.4 Å²	125.4	77%	0.766	73%	0.732	S	S	*	*			trans	-59.2	114.9	-174.5	23.9	-32.3	0	0	0	108.8	S171	P169-S171 PolarHBondContact O-N 3.43Å
170	T	52.4	Low	58.9	Low	127 Å²	127	126.2 Å²	126.2	78%	0.779	74%	0.744	S	S	*	*			trans	-60	103.4	168	-60.4	0	0	0	0	107	E168 T172	E168-T170 PolarHBondContact O-N 2.85Å; T170-T172 VanDerWaalsContact C-N 3.32Å; T170-T172 PolarHBondContact O-N 2.75Å
171	S	52	Low	57.2	Low	102 Å²	102	133.4 Å²	133.4	71%	0.713	77%	0.772	S	S	*	*			trans	-64.4	94	173.3	176.3	0	0	0	0	108.5	P169 T173	P169-S171 PolarHBondContact O-N 3.43Å; S171-T173 PolarHBondContact O-N 3.19Å
172	T	54.9	Low	56.2	Low	115 Å²	115	139 Å²	139	71%	0.706	78%	0.78	S	S	*	*			trans	-67.2	97.6	168.9	-60.8	0	0	0	0	108.4	T170 L174	T170-T172 VanDerWaalsContact C-N 3.32Å; T170-T172 PolarHBondContact O-N 2.75Å; T172-L174 PolarHBondContact O-N 3.35Å; T172-L174 VanDerWaalsContact O-N 3.08Å
173	T	54.2	Low	55.8	Low	123 Å²	123	141.1 Å²	141.1	76%	0.755	79%	0.786	S	S	*	*			trans	-61	106.2	167.9	-58.5	0	0	0	0	109	S171 A175	S171-T173 PolarHBondContact O-N 3.19Å; T173-A175 PolarHBondContact O-N 3.36Å
174	L	55.4	Low	55.7	Low	162 Å²	162	143.6 Å²	143.6	85%	0.848	79%	0.791	S	S	*	*			trans	-69.5	111.1	167.5	-82	159.8	0	0	0	108.7	T172	T172-L174 PolarHBondContact O-N 3.35Å; T172-L174 VanDerWaalsContact O-N 3.08Å
175	A	60.3	Low	55.3	Low	80 Å²	80	147.7 Å²	147.7	66%	0.661	81%	0.814	S	S	*	*			trans	-63.4	144.6	167.8	0	0	0	0	0	110	T173 V177	T173-A175 PolarHBondContact O-N 3.36Å; A175-V177 PolarHBondContact O-N 3.49Å
176	P	56.4	Low	55.5	Low	119 Å²	119	147.5 Å²	147.5	77%	0.773	82%	0.815	S	S	*	*			trans	-71.4	131.1	179.7	12.7	-2.6	0	0	0	110.2	V178	P176-V178 PolarHBondContact O-N 3.38Å; P176-V178 VanDerWaalsContact O-N 3.12Å
177	V	61	Low	55.7	Low	140 Å²	140	149 Å²	149	85%	0.848	82%	0.818	S	S	*	*			trans	-67	106.1	169.3	175.8	0	0	0	0	108.4	A175 R179	A175-V177 PolarHBondContact O-N 3.49Å; V177-R179 PolarHBondContact O-N 3.38Å
178	V	57.6	Low	56	Low	133 Å²	133	151.1 Å²	151.1	81%	0.806	82%	0.82	S	S	*	*			trans	-75.1	108.6	168.7	179	0	0	0	0	108.1	P176 A180	P176-V178 PolarHBondContact O-N 3.38Å; P176-V178 VanDerWaalsContact O-N 3.12Å; V178-A180 PolarHBondContact O-N 2.94Å
179	R	56.2	Low	55.9	Low	235 Å²	235	150 Å²	150	89%	0.887	82%	0.822	S	S	*	*			trans	-80.3	100.9	172.4	-164.3	173.7	-157.8	159.7	5	109.1	V177 K181	V177-R179 PolarHBondContact O-N 3.38Å; R179-K181 PolarHBondContact O-N 2.62Å
180	A	55.4	Low	56.2	Low	87 Å²	87	152 Å²	152	72%	0.719	83%	0.825	S	S	*	*			trans	-68.7	118.4	167.7	0	0	0	0	0	109.7	V178 R182	V178-A180 PolarHBondContact O-N 2.94Å; A180-R182 PolarHBondContact O-N 3.39Å
181	K	54.9	Low	56.5	Low	189 Å²	189	153.7 Å²	153.7	82%	0.822	83%	0.828	S	S	*	*			trans	-69.6	118.9	160.1	-92.5	-175.8	170.5	-172.9	0	107.4	R179	R179-K181 PolarHBondContact O-N 2.62Å
182	R	60.4	Low	56.8	Low	236 Å²	236	157.4 Å²	157.4	89%	0.891	84%	0.836	S	S	*	*			trans	-86.4	110	157.9	-86.2	-175.8	176.1	126.7	-1	106.9	A180	A180-R182 PolarHBondContact O-N 3.39Å
183	D	59.4	Low	56.9	Low	148 Å²	148	160.6 Å²	160.6	79%	0.791	85%	0.846	S	S	*	*			trans	-69.4	125.7	161.1	-71.3	-45.3	0	0	0	108.1
184	L	56.9	Low	57.1	Low	173 Å²	173	163.8 Å²	163.8	91%	0.906	85%	0.854	S	S	*	*			trans	-83	120.7	171.3	-91.9	139.6	0	0	0	108.3
185	M	51.9	Low	57.3	Low	263 Å²	263	163.9 Å²	163.9	100%	1.296	85%	0.854	S	S	*	*			trans	-132.5	0	151.6	-115.1	179.3	174.9	0	0	107.4

Retrieved 185 of 185 residues in 207.1 ms (Link to these results)

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