A0A5K4F824_SCHMA Loading...

SCP domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F824, Species SCHMA (Schistosoma mansoni, Blood fluke), 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	56.4	Low	53	Low	243 Å²	243	156.9 Å²	156.9	100%	1.197	83%	0.827	S	S	*	*				0	98.1	0	-86.5	165.2	55.7	0	0	108.2
2	I	55.6	Low	53	Low	161 Å²	161	154.3 Å²	154.3	83%	0.826	82%	0.821	S	S	*	*			trans	-93.1	106.8	174.6	-64.9	169	0	0	0	106	L4	I2-L4 PolarHBondContact O-N 3.06Å
3	L	47.1	Very low	53.3	Low	155 Å²	155	149 Å²	149	81%	0.812	80%	0.804	S	S	*	*			trans	-77.4	103.7	178.9	-173.4	68.1	0	0	0	108.3	L5	L3-L5 PolarHBondContact O-N 3.14Å; L3-L5 VanDerWaalsContact O-N 3.14Å
4	L	51.5	Low	53.2	Low	153 Å²	153	147.4 Å²	147.4	80%	0.801	81%	0.805	S	S	*	*			trans	-70.6	101.5	175.7	-73.8	158.8	0	0	0	109.4	I2 L6	I2-L4 PolarHBondContact O-N 3.06Å; L4-L6 PolarHBondContact O-N 3.02Å
5	L	48.4	Very low	53.3	Low	150 Å²	150	140.3 Å²	140.3	79%	0.785	78%	0.78	S	S	*	*			trans	-70.8	103.6	167.8	-83.1	153.5	0	0	0	108.9	L3 I7	L3-L5 PolarHBondContact O-N 3.14Å; L3-L5 VanDerWaalsContact O-N 3.14Å; L5-I7 PolarHBondContact O-N 3.2Å
6	L	51.4	Low	53.4	Low	170 Å²	170	140.6 Å²	140.6	89%	0.89	78%	0.779	S	S	*	*			trans	-68.3	93.2	168.5	-78.1	157.6	0	0	0	108.9	L4 S8	L4-L6 PolarHBondContact O-N 3.02Å; L6-S8 PolarHBondContact O-N 3.28Å; L6-S8 VanDerWaalsContact O-N 3.13Å
7	I	54.7	Low	53.5	Low	144 Å²	144	135.5 Å²	135.5	74%	0.738	77%	0.766	S	S	*	*			trans	-74.4	100.3	168.6	-60.2	172.3	0	0	0	106.8	L5 L9	L5-I7 PolarHBondContact O-N 3.2Å; I7-L9 PolarHBondContact O-N 3.34Å
8	S	54.4	Low	54	Low	102 Å²	102	130.1 Å²	130.1	71%	0.713	75%	0.745	S	S	*	*			trans	-67.9	99.9	169.6	-163.1	0	0	0	0	108.2	L6 I10	L6-S8 PolarHBondContact O-N 3.28Å; L6-S8 VanDerWaalsContact O-N 3.13Å; S8-I10 VanDerWaalsContact C-N 3.27Å; S8-I10 PolarHBondContact O-N 3.25Å
9	L	51.8	Low	54.5	Low	155 Å²	155	131.1 Å²	131.1	81%	0.812	74%	0.742	S	S	*	*			trans	-67	91	167	-84.1	152.4	0	0	0	107.5	I7 L11	I7-L9 PolarHBondContact O-N 3.34Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 2.82Å
10	I	52.7	Low	55.4	Low	139 Å²	139	130.5 Å²	130.5	71%	0.713	74%	0.737	S	S	*	*			trans	-61.6	102.2	165.7	-61.7	173.4	0	0	0	105.9	S8 V12	S8-I10 VanDerWaalsContact C-N 3.27Å; S8-I10 PolarHBondContact O-N 3.25Å; I10-V12 VanDerWaalsContact C-N 3.29Å; I10-V12 PolarHBondContact O-N 3.24Å
11	L	59	Low	56.5	Low	154 Å²	154	128.5 Å²	128.5	81%	0.806	72%	0.722	S	S	*	*			trans	-58.6	97.8	164.7	-81.8	154.9	0	0	0	106.6	L9 S13	L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 2.82Å; L11-S13 PolarHBondContact O-N 2.85Å
12	V	53.4	Low	57.5	Low	125 Å²	125	119.2 Å²	119.2	76%	0.758	68%	0.679	S	S	*	*			trans	-68.9	89.1	168.2	-177.7	0	0	0	0	105.7	I10 P14	I10-V12 VanDerWaalsContact C-N 3.29Å; I10-V12 PolarHBondContact O-N 3.24Å; V12-P14 WeakPolarHBondContact O-CD 3.37Å
13	S	56.2	Low	58.8	Low	86 Å²	86	113.4 Å²	113.4	60%	0.601	66%	0.655	S	S	*	*			trans	-59.4	114.2	176.2	-55.9	0	0	0	0	108.8	L11 G15	L11-S13 PolarHBondContact O-N 2.85Å; S13-G15 PolarHBondContact O-N 2.77Å
14	P	52.3	Low	60.7	Low	126 Å²	126	111.6 Å²	111.6	82%	0.818	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	9	176.8	-15.2	31.3	0	0	0	113.4	V12	V12-P14 WeakPolarHBondContact O-CD 3.37Å
15	G	55.2	Low	62.4	Low	42 Å²	42	105.3 Å²	105.3	43%	0.433	61%	0.607	S	S	.	*	H	α-helix	trans	-83.2	-28.1	-162.6	0	0	0	0	0	116.4	S13 G17 Q19	S13-G15 PolarHBondContact O-N 2.77Å; G15-G17 PolarHBondContact O-N 3.47Å; G15-Q19 WeakPolarHBondContact O-CB 3.27Å; G15-Q19 PolarHBondContact O-N 3.13Å
16	L	54.7	Low	64.3	Low	144 Å²	144	99.4 Å²	99.4	75%	0.754	58%	0.577	S	S	*	*	H	α-helix	trans	-68	-41	-173.4	-94.4	80.5	0	0	0	112.7	D20	L16-D20 PolarHBondContact O-N 3.35Å
17	G	55.2	Low	66.2	Low	55 Å²	55	98.9 Å²	98.9	57%	0.567	56%	0.563	S	S	*	*	H	α-helix	trans	-66.6	-43.7	-177.2	0	0	0	0	0	113.2	G15 E21	G15-G17 PolarHBondContact O-N 3.47Å; G17-E21 PolarHBondContact O-N 2.03Å
18	G	61.8	Low	67.9	Low	38 Å²	38	92.7 Å²	92.7	39%	0.392	53%	0.532	S	S	.	.	H	α-helix	trans	-70.2	-32.6	-179.8	0	0	0	0	0	113.4	T22	G18-T22 WeakPolarHBondContact O-CB 2.92Å; G18-T22 PolarHBondContact O-N 3.03Å; G18-T22 PolarHBondContact O-OG1 2.94Å
19	Q	64	Low	69.9	Low	148 Å²	148	87.9 Å²	87.9	69%	0.692	50%	0.499	S	S	*	.	H	α-helix	trans	-70.5	-40.1	178.1	-169	172.4	-0.2	0	0	111.8	G15 T22 A23	G15-Q19 WeakPolarHBondContact O-CB 3.27Å; G15-Q19 PolarHBondContact O-N 3.13Å; Q19-T22 PolarHBondContact O-N 2.8Å; Q19-A23 WeakPolarHBondContact O-CB 3.47Å; Q19-A23 PolarHBondContact O-N 2.87Å
20	D	72.4	Confident	72	Confident	119 Å²	119	82.3 Å²	82.3	64%	0.636	47%	0.469	S	S	*	.	H	α-helix	trans	-65	-43.4	175.5	-174.6	50.7	0	0	0	111.8	L16 T22 A23 K24	L16-D20 PolarHBondContact O-N 3.35Å; D20-T22 PolarHBondContact O-N 2.93Å; D20-A23 PolarHBondContact O-N 3.34Å; D20-K24 WeakPolarHBondContact O-CB 3.45Å; D20-K24 PolarHBondContact O-N 3.03Å
21	E	77.9	Confident	74.1	Confident	89 Å²	89	81.1 Å²	81.1	42%	0.416	46%	0.461	S	S	.	.	H	α-helix	trans	-62	-45.5	176.7	-166.4	-174.4	175.4	0	0	111.6	G17 A23 K24 F25	G17-E21 PolarHBondContact O-N 2.03Å; E21-A23 PolarHBondContact O-N 2.8Å; E21-K24 WeakPolarHBondContact O-CB 2.97Å; E21-K24 PolarHBondContact O-N 3.06Å; E21-F25 HydrophobicContact CG-CD2 4.09Å; E21-F25 HydrophobicContact CG-CE2 3.45Å; E21-F25 VanDerWaalsContact CG-CE2 3.45Å; E21-F25 HydrophobicContact CG-CZ 3.84Å; E21-F25 WeakPolarHBondContact O-CD2 3.39Å; E21-F25 PolarHBondContact O-N 3.5Å; E21-F25 VanDerWaalsContact OE1-CE2 3.27Å; E21-F25 WeakPolarHBondContact OE1-CE2 3.43Å; E21-F25 WeakPolarHBondContact OE1-CZ 3.34Å
22	T	78.8	Confident	75.8	Confident	49 Å²	49	77.1 Å²	77.1	30%	0.301	44%	0.438	S	S	.	.	H	α-helix	trans	-59.8	-46.8	176	-57.8	0	0	0	0	111.3	G18 Q19 D20 K24 F25 T26	G18-T22 WeakPolarHBondContact O-CB 2.92Å; G18-T22 PolarHBondContact O-N 3.03Å; G18-T22 PolarHBondContact O-OG1 2.94Å; Q19-T22 PolarHBondContact O-N 2.8Å; D20-T22 PolarHBondContact O-N 2.93Å; T22-K24 VanDerWaalsContact C-N 3.28Å; T22-K24 PolarHBondContact O-N 2.91Å; T22-F25 PolarHBondContact O-N 2.86Å; T22-F25 VanDerWaalsContact O-N 3.17Å; T22-T26 HydrophobicContact CG2-CG2 4.43Å; T22-T26 WeakPolarHBondContact O-CG2 3.33Å; T22-T26 PolarHBondContact O-N 2.91Å; T22-T26 PolarHBondContact O-OG1 2.93Å
23	A	81.4	Confident	77.9	Confident	39 Å²	39	71.2 Å²	71.2	32%	0.322	40%	0.402	S	S	.	.	H	α-helix	trans	-62.6	-34.8	178.4	0	0	0	0	0	112.7	Q19 D20 E21 T26 R27	Q19-A23 WeakPolarHBondContact O-CB 3.47Å; Q19-A23 PolarHBondContact O-N 2.87Å; D20-A23 PolarHBondContact O-N 3.34Å; E21-A23 PolarHBondContact O-N 2.8Å; A23-T26 PolarHBondContact O-OG1 3.25Å; A23-T26 VanDerWaalsContact O-OG1 3.11Å; A23-R27 WeakPolarHBondContact O-CB 3.28Å; A23-R27 PolarHBondContact O-N 2.98Å
24	K	86.6	Confident	79.9	Confident	116 Å²	116	68 Å²	68	50%	0.504	38%	0.378	S	S	.	.	H	α-helix	trans	-66	-43	174.2	-175.2	-177.9	177.9	-177.3	0	111.5	D20 E21 T22 T28	D20-K24 WeakPolarHBondContact O-CB 3.45Å; D20-K24 PolarHBondContact O-N 3.03Å; E21-K24 WeakPolarHBondContact O-CB 2.97Å; E21-K24 PolarHBondContact O-N 3.06Å; T22-K24 VanDerWaalsContact C-N 3.28Å; T22-K24 PolarHBondContact O-N 2.91Å; K24-T28 WeakPolarHBondContact O-CB 3.1Å; K24-T28 PolarHBondContact O-N 3.28Å; K24-T28 VanDerWaalsContact O-N 3.13Å; K24-T28 PolarHBondContact O-OG1 3.14Å
25	F	89.3	Confident	82	Confident	22 Å²	22	68.4 Å²	68.4	10%	0.096	36%	0.364	C	S	.	.	H	α-helix	trans	-66.6	-46.4	178	-68.7	-40.5	0	0	0	112.5	E21 T22 R27 T28 L29 V102 V147 Y159	E21-F25 HydrophobicContact CG-CD2 4.09Å; E21-F25 HydrophobicContact CG-CE2 3.45Å; E21-F25 VanDerWaalsContact CG-CE2 3.45Å; E21-F25 HydrophobicContact CG-CZ 3.84Å; E21-F25 WeakPolarHBondContact O-CD2 3.39Å; E21-F25 PolarHBondContact O-N 3.5Å; E21-F25 VanDerWaalsContact OE1-CE2 3.27Å; E21-F25 WeakPolarHBondContact OE1-CE2 3.43Å; E21-F25 WeakPolarHBondContact OE1-CZ 3.34Å; T22-F25 PolarHBondContact O-N 2.86Å; T22-F25 VanDerWaalsContact O-N 3.17Å; F25-R27 PolarHBondContact O-N 2.88Å; F25-T28 WeakPolarHBondContact O-CB 3.45Å; F25-T28 PolarHBondContact O-N 3.12Å; F25-L29 VanDerWaalsContact O-CG 3.32Å; F25-L29 WeakPolarHBondContact O-CG 3.49Å; F25-L29 PolarHBondContact O-N 2.99Å; F25-V102 HydrophobicContact CB-CG1 4.24Å; F25-V102 HydrophobicContact CD1-CB 3.78Å; F25-V102 HydrophobicContact CD1-CG1 3.88Å; F25-V102 HydrophobicContact CD1-CG2 3.78Å; F25-V102 HydrophobicContact CD2-CG2 4.18Å; F25-V102 HydrophobicContact CE1-CB 3.93Å; F25-V102 HydrophobicContact CE1-CG2 3.7Å; F25-V102 HydrophobicContact CE2-CG2 4.07Å; F25-V102 HydrophobicContact CG-CB 4.36Å; F25-V102 HydrophobicContact CG-CG1 4.15Å; F25-V102 HydrophobicContact CG-CG2 4.04Å; F25-V102 HydrophobicContact CZ-CG2 3.86Å; F25-V147 HydrophobicContact CB-CG2 4.27Å; F25-V147 HydrophobicContact CD2-CG1 4.28Å; F25-Y159 HydrophobicContact CE2-CE1 4.3Å
26	T	87.5	Confident	84	Confident	25 Å²	25	66.5 Å²	66.5	15%	0.153	34%	0.343	C	S	.	.	H	α-helix	trans	-61.7	-44.7	-179.2	56	0	0	0	0	112.1	T22 A23 T28 L29 L30 W59 Y64	T22-T26 HydrophobicContact CG2-CG2 4.43Å; T22-T26 WeakPolarHBondContact O-CG2 3.33Å; T22-T26 PolarHBondContact O-N 2.91Å; T22-T26 PolarHBondContact O-OG1 2.93Å; A23-T26 PolarHBondContact O-OG1 3.25Å; A23-T26 VanDerWaalsContact O-OG1 3.11Å; T26-T28 VanDerWaalsContact C-N 3.35Å; T26-T28 PolarHBondContact O-N 3.18Å; T26-L29 PolarHBondContact O-N 3.28Å; T26-L30 PolarHBondContact O-N 3.17Å; T26-W59 VanDerWaalsContact CB-CH2 3.5Å; T26-W59 HydrophobicContact CG2-CH2 3.58Å; T26-W59 HydrophobicContact CG2-CZ2 3.96Å; T26-Y64 HydrophobicContact CG2-CE2 4.34Å
27	R	90.3	Very high	86	Confident	159 Å²	159	59.8 Å²	59.8	60%	0.6	31%	0.308	S	S	*	.	H	α-helix	trans	-60.1	-45	175.7	-172	-173.8	-54.5	158	7.2	112	A23 F25 L30 Q31	A23-R27 WeakPolarHBondContact O-CB 3.28Å; A23-R27 PolarHBondContact O-N 2.98Å; F25-R27 PolarHBondContact O-N 2.88Å; R27-L30 PolarHBondContact O-N 3.21Å; R27-Q31 WeakPolarHBondContact O-CB 3.25Å; R27-Q31 VanDerWaalsContact O-CG 3.27Å; R27-Q31 WeakPolarHBondContact O-CG 3.46Å; R27-Q31 PolarHBondContact O-N 3.24Å
28	T	91.4	Very high	88	Confident	15 Å²	15	60.5 Å²	60.5	9%	0.092	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-49.9	177.4	-63.4	0	0	0	0	110.4	K24 F25 T26 L30 Q31 H32 Y103	K24-T28 WeakPolarHBondContact O-CB 3.1Å; K24-T28 PolarHBondContact O-N 3.28Å; K24-T28 VanDerWaalsContact O-N 3.13Å; K24-T28 PolarHBondContact O-OG1 3.14Å; F25-T28 WeakPolarHBondContact O-CB 3.45Å; F25-T28 PolarHBondContact O-N 3.12Å; T26-T28 VanDerWaalsContact C-N 3.35Å; T26-T28 PolarHBondContact O-N 3.18Å; T28-L30 VanDerWaalsContact C-N 3.34Å; T28-L30 PolarHBondContact O-N 2.88Å; T28-Q31 PolarHBondContact O-N 3.28Å; T28-H32 PolarHBondContact O-CD2 3.36Å; T28-H32 VanDerWaalsContact O-CD2 3.26Å; T28-H32 PolarHBondContact O-N 3.27Å; T28-Y103 HydrophobicContact CG2-CD1 3.52Å; T28-Y103 HydrophobicContact CG2-CE1 3.28Å
29	L	96.1	Very high	89.6	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-57.7	-49.2	-178.5	-71	171.4	0	0	0	110.4	F25 T26 Q31 H32 H33 V102 I106 C145 V147 V161	F25-L29 VanDerWaalsContact O-CG 3.32Å; F25-L29 WeakPolarHBondContact O-CG 3.49Å; F25-L29 PolarHBondContact O-N 2.99Å; T26-L29 PolarHBondContact O-N 3.28Å; L29-Q31 PolarHBondContact O-N 3.3Å; L29-H32 PolarHBondContact O-N 2.86Å; L29-H33 PolarHBondContact O-N 3.27Å; L29-H33 PolarHBondContact O-ND1 2.87Å; L29-V102 HydrophobicContact CD1-CG1 4.26Å; L29-V102 HydrophobicContact CD2-CG1 4.04Å; L29-V102 HydrophobicContact CG-CG1 4.22Å; L29-I106 HydrophobicContact CD2-CD1 3.64Å; L29-I106 HydrophobicContact CD2-CG1 4.13Å; L29-C145 HydrophobicContact CB-CB 4.32Å; L29-C145 HydrophobicContact CD1-CB 3.55Å; L29-V147 HydrophobicContact CD1-CG2 3.8Å; L29-V161 HydrophobicContact CD1-CG1 3.94Å; L29-V161 HydrophobicContact CD2-CG1 4.07Å
30	L	96.7	Very high	91.2	Very high	37 Å²	37	53 Å²	53	19%	0.194	25%	0.252	C	S	.	.	H	α-helix	trans	-57.4	-49.9	176.8	178	60.8	0	0	0	112.4	T26 R27 T28 H32 H33 N34 F57 W59 I143	T26-L30 PolarHBondContact O-N 3.17Å; R27-L30 PolarHBondContact O-N 3.21Å; T28-L30 VanDerWaalsContact C-N 3.34Å; T28-L30 PolarHBondContact O-N 2.88Å; L30-H32 VanDerWaalsContact C-N 3.34Å; L30-H32 PolarHBondContact O-N 2.81Å; L30-H33 PolarHBondContact O-N 3.15Å; L30-N34 PolarHBondContact O-N 2.79Å; L30-F57 HydrophobicContact CD1-CB 3.97Å; L30-W59 HydrophobicContact CD2-CB 4.34Å; L30-I143 HydrophobicContact CD1-CG2 3.53Å
31	Q	96	Very high	92.3	Very high	114 Å²	114	48.1 Å²	48.1	53%	0.533	23%	0.226	S	C	.	.	H	α-helix	trans	-60.1	-43.1	-178.3	-75.9	175.3	-19.1	0	0	112.5	R27 T28 L29 N34 W35	R27-Q31 WeakPolarHBondContact O-CB 3.25Å; R27-Q31 VanDerWaalsContact O-CG 3.27Å; R27-Q31 WeakPolarHBondContact O-CG 3.46Å; R27-Q31 PolarHBondContact O-N 3.24Å; T28-Q31 PolarHBondContact O-N 3.28Å; L29-Q31 PolarHBondContact O-N 3.3Å; Q31-N34 PolarHBondContact O-N 3.18Å; Q31-W35 WeakPolarHBondContact O-CB 3.47Å; Q31-W35 PolarHBondContact O-N 3.5Å
32	H	95	Very high	93.1	Very high	71 Å²	71	49.6 Å²	49.6	33%	0.329	23%	0.231	S	C	.	.	H	α-helix	trans	-69.4	-37.4	179.1	-85.8	-91.4	0	0	0	112.6	T28 L29 L30 N34 W35 V36 I106	T28-H32 PolarHBondContact O-CD2 3.36Å; T28-H32 VanDerWaalsContact O-CD2 3.26Å; T28-H32 PolarHBondContact O-N 3.27Å; L29-H32 PolarHBondContact O-N 2.86Å; L30-H32 VanDerWaalsContact C-N 3.34Å; L30-H32 PolarHBondContact O-N 2.81Å; H32-N34 VanDerWaalsContact C-N 3.34Å; H32-W35 PolarHBondContact O-N 2.93Å; H32-V36 WeakPolarHBondContact O-CG2 3.34Å; H32-V36 PolarHBondContact O-N 2.9Å; H32-I106 HydrophobicContact CB-CD1 3.33Å; H32-I106 HydrophobicContact CB-CG1 4.16Å; H32-I106 HydrophobicContact CB-CG2 4.24Å
33	H	97.4	Very high	93.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-46.4	172.8	-77.7	77.6	0	0	0	111.1	L29 L30 W35 V36 R37 F57 W109 I143 Y165	L29-H33 PolarHBondContact O-N 3.27Å; L29-H33 PolarHBondContact O-ND1 2.87Å; L30-H33 PolarHBondContact O-N 3.15Å; H33-W35 VanDerWaalsContact C-N 3.32Å; H33-W35 PolarHBondContact O-N 3.06Å; H33-V36 WeakPolarHBondContact O-CB 3.29Å; H33-V36 PolarHBondContact O-N 2.98Å; H33-V36 VanDerWaalsContact O-N 3.14Å; H33-R37 WeakPolarHBondContact O-CG 3.43Å; H33-R37 PolarHBondContact O-N 2.99Å; H33-F57 HydrophobicContact CB-CD2 3.78Å; H33-F57 HydrophobicContact CB-CE2 4Å; H33-F57 AromaticContact CD2-CE2 3.97Å; H33-W109 AromaticContact CE1-CZ3 3.68Å; H33-W109 AromaticContact NE2-CE3 3.79Å; H33-W109 AromaticContact NE2-CZ3 3.63Å; H33-I143 HydrophobicContact CB-CD1 4.34Å; H33-Y165 AromaticContact CD2-CE1 3.7Å; H33-Y165 AromaticContact NE2-CE1 3.74Å; H33-Y165 AromaticContact NE2-CZ 3.66Å; H33-Y165 PolarHBondContact NE2-OH 3.01Å
34	N	98	Very high	94.2	Very high	20 Å²	20	50.9 Å²	50.9	11%	0.107	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-42.9	177.5	-70.2	-8.5	0	0	0	110.8	L30 Q31 H32 V36 R37 Q38 D56 F57	L30-N34 PolarHBondContact O-N 2.79Å; Q31-N34 PolarHBondContact O-N 3.18Å; H32-N34 VanDerWaalsContact C-N 3.34Å; N34-V36 VanDerWaalsContact C-N 3.35Å; N34-V36 PolarHBondContact O-N 3.25Å; N34-R37 PolarHBondContact O-N 3.14Å; N34-R37 VanDerWaalsContact O-N 3.16Å; N34-Q38 VanDerWaalsContact O-CG 3.31Å; N34-Q38 WeakPolarHBondContact O-CG 3.27Å; N34-Q38 PolarHBondContact O-N 2.93Å; N34-D56 HydrophobicContact CB-CB 4.29Å; N34-D56 WeakPolarHBondContact CB-OD1 3.47Å; N34-F57 PolarHBondContact OD1-N 3.49Å
35	W	96.5	Very high	94.1	Very high	134 Å²	134	51.1 Å²	51.1	51%	0.508	25%	0.252	S	S	.	.	H	α-helix	trans	-55.9	-46.4	172.8	178.4	89.2	0	0	0	112.3	Q31 H32 H33 R37 Q38 T39	Q31-W35 WeakPolarHBondContact O-CB 3.47Å; Q31-W35 PolarHBondContact O-N 3.5Å; H32-W35 PolarHBondContact O-N 2.93Å; H33-W35 VanDerWaalsContact C-N 3.32Å; H33-W35 PolarHBondContact O-N 3.06Å; W35-R37 VanDerWaalsContact C-N 3.34Å; W35-R37 PolarHBondContact O-N 3.46Å; W35-Q38 PolarHBondContact O-N 3.09Å; W35-T39 HydrophobicContact CD2-CG2 3.99Å; W35-T39 HydrophobicContact CE3-CG2 4.09Å; W35-T39 HydrophobicContact CH2-CG2 3.94Å; W35-T39 HydrophobicContact CZ2-CG2 3.83Å; W35-T39 HydrophobicContact CZ3-CG2 4.06Å; W35-T39 WeakPolarHBondContact O-CG2 3.44Å; W35-T39 PolarHBondContact O-N 2.88Å
36	V	96.2	Very high	93.9	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-58.5	-46.2	176.6	174.4	0	0	0	0	110.8	H32 H33 N34 Q38 T39 I106 R110 L135 V136	H32-V36 WeakPolarHBondContact O-CG2 3.34Å; H32-V36 PolarHBondContact O-N 2.9Å; H33-V36 WeakPolarHBondContact O-CB 3.29Å; H33-V36 PolarHBondContact O-N 2.98Å; H33-V36 VanDerWaalsContact O-N 3.14Å; N34-V36 VanDerWaalsContact C-N 3.35Å; N34-V36 PolarHBondContact O-N 3.25Å; V36-Q38 PolarHBondContact O-N 2.8Å; V36-T39 PolarHBondContact O-N 3.13Å; V36-T39 PolarHBondContact O-OG1 2.69Å; V36-I106 HydrophobicContact CG2-CG2 4.19Å; V36-R110 HydrophobicContact CG1-CG 4.24Å; V36-R110 HydrophobicContact CG2-CB 4.35Å; V36-R110 HydrophobicContact CG2-CG 3.99Å; V36-L135 HydrophobicContact CG1-CB 4.47Å; V36-L135 HydrophobicContact CG1-CD2 4.24Å; V36-L135 HydrophobicContact CG2-CD2 4.43Å; V36-V136 HydrophobicContact CG1-CG1 3.93Å
37	R	97.9	Very high	93.9	Very high	3 Å²	3	63.7 Å²	63.7	1%	0.011	30%	0.296	C	S	.	.	H	α-helix	trans	-61.7	-44.6	177.6	-67.6	174.2	69.4	84.6	-7.9	111.6	H33 N34 W35 T39 R40 L54 G55 F57 L135 D137 T140	H33-R37 WeakPolarHBondContact O-CG 3.43Å; H33-R37 PolarHBondContact O-N 2.99Å; N34-R37 PolarHBondContact O-N 3.14Å; N34-R37 VanDerWaalsContact O-N 3.16Å; W35-R37 VanDerWaalsContact C-N 3.34Å; W35-R37 PolarHBondContact O-N 3.46Å; R37-T39 PolarHBondContact O-N 3.35Å; R37-R40 WeakPolarHBondContact O-CB 3.4Å; R37-R40 PolarHBondContact O-N 2.86Å; R37-L54 HydrophobicContact CB-CB 4.06Å; R37-L54 HydrophobicContact CB-CD1 4.27Å; R37-L54 HydrophobicContact CG-CD1 4.44Å; R37-G55 VanDerWaalsContact CZ-O 3.29Å; R37-G55 PolarHBondContact NE-O 3.29Å; R37-G55 PolarHBondContact NH2-O 3.47Å; R37-F57 VanDerWaalsContact CZ-CE1 3.47Å; R37-F57 VanDerWaalsContact NH1-CE1 3.31Å; R37-L135 WeakPolarHBondContact CD-O 3.38Å; R37-L135 WeakPolarHBondContact CG-O 3.44Å; R37-L135 PolarHBondContact NH1-O 2.8Å; R37-L135 VanDerWaalsContact NH1-O 3.16Å; R37-D137 PolarHBondContact NH1-O 3.37Å; R37-D137 PolarHBondContact NH2-O 2.98Å; R37-T140 PolarHBondContact NH2-O 2.95Å
38	Q	97.1	Very high	94	Very high	71 Å²	71	57.8 Å²	57.8	33%	0.332	28%	0.279	S	S	.	.	H	α-helix	trans	-63.6	-28	176.9	-65.6	-46.8	-38.7	0	0	113.1	N34 W35 V36 R40 N41 L54 D56	N34-Q38 VanDerWaalsContact O-CG 3.31Å; N34-Q38 WeakPolarHBondContact O-CG 3.27Å; N34-Q38 PolarHBondContact O-N 2.93Å; W35-Q38 PolarHBondContact O-N 3.09Å; V36-Q38 PolarHBondContact O-N 2.8Å; Q38-R40 PolarHBondContact O-N 3.43Å; Q38-N41 WeakPolarHBondContact O-CB 3.29Å; Q38-N41 PolarHBondContact O-N 3Å; Q38-N41 VanDerWaalsContact O-N 3.12Å; Q38-N41 PolarHBondContact OE1-ND2 3.38Å; Q38-L54 PolarHBondContact NE2-O 3.01Å; Q38-D56 PolarHBondContact NE2-OD1 3.48Å
39	T	95.7	Very high	94.1	Very high	17 Å²	17	57.3 Å²	57.3	10%	0.104	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-30	173	71.1	0	0	0	0	113	W35 V36 R37 N41 K42	W35-T39 HydrophobicContact CD2-CG2 3.99Å; W35-T39 HydrophobicContact CE3-CG2 4.09Å; W35-T39 HydrophobicContact CH2-CG2 3.94Å; W35-T39 HydrophobicContact CZ2-CG2 3.83Å; W35-T39 HydrophobicContact CZ3-CG2 4.06Å; W35-T39 WeakPolarHBondContact O-CG2 3.44Å; W35-T39 PolarHBondContact O-N 2.88Å; V36-T39 PolarHBondContact O-N 3.13Å; V36-T39 PolarHBondContact O-OG1 2.69Å; R37-T39 PolarHBondContact O-N 3.35Å; T39-N41 VanDerWaalsContact C-N 3.3Å; T39-K42 PolarHBondContact O-N 2.81Å
40	R	96.2	Very high	94.1	Very high	12 Å²	12	57.2 Å²	57.2	5%	0.045	28%	0.276	C	S	.	.	H	α-helix	trans	-79.2	-14.5	176.4	-51.7	-59.7	105.3	-123	8.1	113.1	R37 Q38 K42 S48 T49 S50 L54 Y132 V136 Y175 R182	R37-R40 WeakPolarHBondContact O-CB 3.4Å; R37-R40 PolarHBondContact O-N 2.86Å; Q38-R40 PolarHBondContact O-N 3.43Å; R40-K42 VanDerWaalsContact C-N 3.3Å; R40-S48 WeakPolarHBondContact CD-O 3.37Å; R40-S48 PolarHBondContact NH1-O 3.33Å; R40-T49 WeakPolarHBondContact O-CA 3.26Å; R40-T49 PolarHBondContact O-OG1 3.33Å; R40-S50 PolarHBondContact O-N 3.29Å; R40-L54 HydrophobicContact CB-CD1 3.82Å; R40-L54 HydrophobicContact CG-CD1 4.05Å; R40-Y132 WeakPolarHBondContact CD-OH 3.36Å; R40-V136 HydrophobicContact CG-CB 4.38Å; R40-V136 HydrophobicContact CG-CG1 3.89Å; R40-Y175 VanDerWaalsContact CD-OH 3.27Å; R40-Y175 WeakPolarHBondContact CD-OH 3.21Å; R40-Y175 HydrophobicContact CG-CE1 4.25Å; R40-R182 PolarHBondContact O-NH2 2.99Å
41	N	96.6	Very high	94.1	Very high	15 Å²	15	59.1 Å²	59.1	8%	0.08	28%	0.284	C	S	.	.	H	α-helix	trans	-82.3	-12.5	174.6	-65.7	-18.9	0	0	0	112.2	Q38 T39 K53 L54 R182	Q38-N41 WeakPolarHBondContact O-CB 3.29Å; Q38-N41 PolarHBondContact O-N 3Å; Q38-N41 VanDerWaalsContact O-N 3.12Å; Q38-N41 PolarHBondContact OE1-ND2 3.38Å; T39-N41 VanDerWaalsContact C-N 3.3Å; N41-K53 HydrophobicContact CB-CG 4.33Å; N41-K53 VanDerWaalsContact OD1-CA 3.27Å; N41-K53 WeakPolarHBondContact OD1-CA 3.46Å; N41-L54 PolarHBondContact ND2-O 3.17Å; N41-L54 PolarHBondContact OD1-N 3.31Å; N41-R182 VanDerWaalsContact O-CZ 3.32Å; N41-R182 PolarHBondContact O-NH1 3.01Å; N41-R182 PolarHBondContact O-NH2 3.06Å; N41-R182 VanDerWaalsContact O-NH2 3.12Å
42	K	95	Very high	94.2	Very high	121 Å²	121	60 Å²	60	53%	0.526	29%	0.286	S	S	.	.	S	Bend	trans	-81.4	131.6	176.3	-61.6	-179	-179.2	-177.8	0	109.8	T39 R40 D44 T49	T39-K42 PolarHBondContact O-N 2.81Å; R40-K42 VanDerWaalsContact C-N 3.3Å; K42-D44 HydrophobicContact CB-CB 4.46Å; K42-D44 PolarHBondContact O-N 3.31Å; K42-T49 PolarHBondContact O-OG1 3.33Å
43	C	93.5	Very high	94.3	Very high	73 Å²	73	63.8 Å²	63.8	49%	0.493	30%	0.301	S	S	.	.			trans	-78.4	67.1	171.3	-61	0	0	0	0	110.1	R182 C183	C43-R182 PolarHBondContact SG-NH1 2.04Å; C43-R182 VanDerWaalsContact SG-NH1 3.43Å; C43-C183 WeakPolarHBondContact CA-SG 3.35Å; C43-C183 HydrophobicContact CB-CB 3.59Å; C43-C183 WeakPolarHBondContact CB-SG 3.49Å; C43-C183 WeakPolarHBondContact SG-CA 3.05Å; C43-C183 WeakPolarHBondContact SG-CB 3.4Å; C43-C183 CovalentContact SG-SG 2.04Å; C43-C183 PolarHBondContact SG-SG 2.99Å
44	D	88.9	Confident	94.4	Very high	41 Å²	41	63.8 Å²	63.8	22%	0.219	30%	0.301	C	S	.	.			trans	-110	117.7	179.8	-175.7	-26.5	0	0	0	108.6	K42 R46 W47	K42-D44 HydrophobicContact CB-CB 4.46Å; K42-D44 PolarHBondContact O-N 3.31Å; D44-R46 PolarHBondContact O-N 2.96Å; D44-R46 VanDerWaalsContact O-N 3.08Å; D44-R46 VanDerWaalsContact OD1-CB 3.29Å; D44-R46 WeakPolarHBondContact OD1-CB 3.44Å; D44-R46 WeakPolarHBondContact OD1-CG 3.49Å; D44-R46 IonicContact OD1-CZ 3.41Å; D44-R46 PolarHBondContact OD1-N 2.87Å; D44-R46 IonicContact OD1-NE 3.55Å; D44-R46 PolarHBondContact OD1-NE 2.95Å; D44-R46 IonicContact OD1-NH2 2.72Å; D44-R46 IonicContact OD2-CZ 3.05Å; D44-R46 IonicContact OD2-NE 3.08Å; D44-R46 PolarHBondContact OD2-NE 3.27Å; D44-R46 IonicContact OD2-NH2 3.26Å; D44-R46 PolarHBondContact OD2-NH2 3.5Å; D44-W47 PolarHBondContact O-N 3.1Å; D44-W47 VanDerWaalsContact O-N 3.08Å
45	S	84.8	Confident	94.4	Very high	122 Å²	122	65 Å²	65	85%	0.853	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-15.6	-175.7	56.8	0	0	0	0	114.1	W47	S45-W47 PolarHBondContact O-N 2.92Å
46	R	86.1	Confident	94.4	Very high	183 Å²	183	62.5 Å²	62.5	69%	0.691	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-15.1	175.7	-64.7	178	-67.9	176.7	-2.5	113.1	D44	D44-R46 PolarHBondContact O-N 2.96Å; D44-R46 VanDerWaalsContact O-N 3.08Å; D44-R46 VanDerWaalsContact OD1-CB 3.29Å; D44-R46 WeakPolarHBondContact OD1-CB 3.44Å; D44-R46 WeakPolarHBondContact OD1-CG 3.49Å; D44-R46 IonicContact OD1-CZ 3.41Å; D44-R46 PolarHBondContact OD1-N 2.87Å; D44-R46 IonicContact OD1-NE 3.55Å; D44-R46 PolarHBondContact OD1-NE 2.95Å; D44-R46 IonicContact OD1-NH2 2.72Å; D44-R46 IonicContact OD2-CZ 3.05Å; D44-R46 IonicContact OD2-NE 3.08Å; D44-R46 PolarHBondContact OD2-NE 3.27Å; D44-R46 IonicContact OD2-NH2 3.26Å; D44-R46 PolarHBondContact OD2-NH2 3.5Å
47	W	86.7	Confident	94.6	Very high	127 Å²	127	62.9 Å²	62.9	48%	0.481	32%	0.316	S	S	.	.	S	Bend	trans	-138.9	155.3	-174	-45.3	103	0	0	0	111.8	D44 S45 T49	D44-W47 PolarHBondContact O-N 3.1Å; D44-W47 VanDerWaalsContact O-N 3.08Å; S45-W47 PolarHBondContact O-N 2.92Å; W47-T49 PolarHBondContact O-N 3.36Å
48	S	91.5	Very high	94.6	Very high	36 Å²	36	67.4 Å²	67.4	25%	0.252	34%	0.339	S	S	.	.			trans	-62.7	135.3	170.4	59.2	0	0	0	0	110.9	R40 Y175	R40-S48 WeakPolarHBondContact CD-O 3.37Å; R40-S48 PolarHBondContact NH1-O 3.33Å; S48-Y175 PolarHBondContact OG-OH 3.12Å
49	T	94.8	Very high	94.6	Very high	4 Å²	4	67.3 Å²	67.3	3%	0.025	34%	0.336	C	S	.	.			trans	-114.8	142.3	-177.8	-169.9	0	0	0	0	109.9	R40 K42 W47 G178 R182 C183	R40-T49 WeakPolarHBondContact O-CA 3.26Å; R40-T49 PolarHBondContact O-OG1 3.33Å; K42-T49 PolarHBondContact O-OG1 3.33Å; W47-T49 PolarHBondContact O-N 3.36Å; T49-G178 PolarHBondContact O-N 3.17Å; T49-R182 PolarHBondContact OG1-NH2 3.01Å; T49-C183 HydrophobicContact CG2-CB 3.86Å; T49-C183 VanDerWaalsContact CG2-SG 3.55Å; T49-C183 PolarHBondContact OG1-SG 3.47Å
50	S	96.6	Very high	94.7	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-84.9	132.9	179.8	-173.3	0	0	0	0	110.9	R40 K52 Y175 D176 R182	R40-S50 PolarHBondContact O-N 3.29Å; S50-K52 WeakPolarHBondContact CB-O 3.26Å; S50-K52 PolarHBondContact OG-O 3.05Å; S50-Y175 VanDerWaalsContact CA-CD2 3.45Å; S50-Y175 VanDerWaalsContact CB-CD2 3.49Å; S50-Y175 WeakPolarHBondContact OG-CB 3.38Å; S50-D176 CarbonylContact C-O 3.5Å; S50-R182 PolarHBondContact O-NE 3.05Å; S50-R182 PolarHBondContact O-NH2 3.23Å
51	E	96.4	Very high	94.8	Very high	77 Å²	77	71.9 Å²	71.9	36%	0.36	36%	0.361	S	S	.	.	S	Bend	trans	-56.7	-56.2	175.4	179.1	-177.6	149.5	0	0	110.3	D176 G178 A181 R182	E51-D176 HydrophobicContact CB-CB 4.03Å; E51-D176 PolarHBondContact N-O 3.48Å; E51-G178 VanDerWaalsContact CA-CA 3.43Å; E51-A181 HydrophobicContact CG-CB 3.73Å; E51-R182 WeakPolarHBondContact O-CB 3.43Å; E51-R182 WeakPolarHBondContact O-CD 3.3Å; E51-R182 PolarHBondContact O-NE 2.92Å
52	K	97.1	Very high	94.8	Very high	132 Å²	132	72.6 Å²	72.6	57%	0.574	37%	0.371	S	S	*	.	S	Bend	trans	-90.9	140.7	172.1	-69.3	176.1	-174.4	170.5	0	109.5	S50 L54 I138	S50-K52 WeakPolarHBondContact CB-O 3.26Å; S50-K52 PolarHBondContact OG-O 3.05Å; K52-L54 PolarHBondContact O-N 3.27Å; K52-I138 HydrophobicContact CB-CD1 3.66Å; K52-I138 HydrophobicContact CD-CD1 4.43Å
53	K	97.6	Very high	95	Very high	150 Å²	150	66.8 Å²	66.8	65%	0.652	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-63.1	128.8	178	-71.7	-175.5	178.4	177.6	0	110.1	N41 G55	N41-K53 HydrophobicContact CB-CG 4.33Å; N41-K53 VanDerWaalsContact OD1-CA 3.27Å; N41-K53 WeakPolarHBondContact OD1-CA 3.46Å; K53-G55 PolarHBondContact O-N 3.23Å
54	L	98.3	Very high	95.2	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.005	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-68	120.2	168.8	-54.7	-175.3	0	0	0	108.2	R37 Q38 R40 N41 K52 V136 I138 Y175	R37-L54 HydrophobicContact CB-CB 4.06Å; R37-L54 HydrophobicContact CB-CD1 4.27Å; R37-L54 HydrophobicContact CG-CD1 4.44Å; Q38-L54 PolarHBondContact NE2-O 3.01Å; R40-L54 HydrophobicContact CB-CD1 3.82Å; R40-L54 HydrophobicContact CG-CD1 4.05Å; N41-L54 PolarHBondContact ND2-O 3.17Å; N41-L54 PolarHBondContact OD1-N 3.31Å; K52-L54 PolarHBondContact O-N 3.27Å; L54-V136 HydrophobicContact CD1-CB 3.96Å; L54-V136 HydrophobicContact CD1-CG1 4.49Å; L54-V136 WeakPolarHBondContact CD1-O 3.42Å; L54-I138 HydrophobicContact CD2-CB 3.79Å; L54-I138 HydrophobicContact CD2-CD1 4.19Å; L54-I138 HydrophobicContact CD2-CG1 3.84Å; L54-Y175 HydrophobicContact CD1-CD1 4.2Å; L54-Y175 HydrophobicContact CD1-CE1 4.42Å; L54-Y175 HydrophobicContact CD2-CD1 4.3Å; L54-Y175 HydrophobicContact CD2-CG 4.4Å
55	G	98	Very high	95.5	Very high	44 Å²	44	67.8 Å²	67.8	45%	0.454	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-71.8	153.3	173.1	0	0	0	0	0	111.2	R37 K53	R37-G55 VanDerWaalsContact CZ-O 3.29Å; R37-G55 PolarHBondContact NE-O 3.29Å; R37-G55 PolarHBondContact NH2-O 3.47Å; K53-G55 PolarHBondContact O-N 3.23Å
56	D	98.5	Very high	96.1	Very high	83 Å²	83	63 Å²	63	44%	0.444	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-61.8	146.5	171.4	-78.6	-6.7	0	0	0	110.8	N34 Q38	N34-D56 HydrophobicContact CB-CB 4.29Å; N34-D56 WeakPolarHBondContact CB-OD1 3.47Å; Q38-D56 PolarHBondContact NE2-OD1 3.48Å
57	F	98.6	Very high	96.7	Very high	8 Å²	8	54.3 Å²	54.3	4%	0.035	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-67.6	145.9	171.8	-67.6	-41.3	0	0	0	111	L30 H33 N34 R37 L135 T140 T141 I143 Y165	L30-F57 HydrophobicContact CD1-CB 3.97Å; H33-F57 HydrophobicContact CB-CD2 3.78Å; H33-F57 HydrophobicContact CB-CE2 4Å; H33-F57 AromaticContact CD2-CE2 3.97Å; N34-F57 PolarHBondContact OD1-N 3.49Å; R37-F57 VanDerWaalsContact CZ-CE1 3.47Å; R37-F57 VanDerWaalsContact NH1-CE1 3.31Å; F57-L135 WeakPolarHBondContact CZ-O 3.2Å; F57-T140 HydrophobicContact CD1-CG2 4.3Å; F57-T140 HydrophobicContact CE1-CG2 3.45Å; F57-T140 VanDerWaalsContact CE1-CG2 3.45Å; F57-T140 WeakPolarHBondContact CE1-O 3.32Å; F57-T140 HydrophobicContact CZ-CG2 3.9Å; F57-T141 CarbonylContact C-O 3.47Å; F57-T141 WeakPolarHBondContact CA-O 3.43Å; F57-I143 HydrophobicContact CB-CB 4.08Å; F57-I143 HydrophobicContact CB-CG2 3.54Å; F57-I143 HydrophobicContact CD2-CB 4.1Å; F57-I143 HydrophobicContact CD2-CD1 4.02Å; F57-I143 HydrophobicContact CD2-CG2 4.15Å; F57-I143 HydrophobicContact CE2-CD1 4.35Å; F57-I143 HydrophobicContact CG-CB 4.17Å; F57-I143 HydrophobicContact CG-CG2 4.12Å; F57-Y165 HydrophobicContact CE2-CD1 4.04Å; F57-Y165 AromaticContact CE2-CE1 3.95Å; F57-Y165 HydrophobicContact CE2-CE1 3.95Å; F57-Y165 HydrophobicContact CZ-CD1 4.06Å; F57-Y165 HydrophobicContact CZ-CE1 4.34Å
58	I	98.3	Very high	97.2	Very high	98 Å²	98	49.4 Å²	49.4	50%	0.503	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.1	172	-59.5	171.3	0	0	0	107.9	T141 H142 I143	I58-T141 PolarHBondContact N-O 3.43Å; I58-H142 CarbonylContact O-C 3.59Å; I58-H142 WeakPolarHBondContact O-CA 3.32Å; I58-I143 PolarHBondContact O-N 2.61Å
59	W	98	Very high	97.4	Very high	70 Å²	70	53.3 Å²	53.3	27%	0.265	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	136.4	175.6	-172.9	-96.1	0	0	0	111.1	T26 L30 D61 Y64 I143 C145	T26-W59 VanDerWaalsContact CB-CH2 3.5Å; T26-W59 HydrophobicContact CG2-CH2 3.58Å; T26-W59 HydrophobicContact CG2-CZ2 3.96Å; L30-W59 HydrophobicContact CD2-CB 4.34Å; W59-D61 VanDerWaalsContact CD1-OD1 3.27Å; W59-D61 PolarHBondContact NE1-OD1 2.94Å; W59-Y64 HydrophobicContact CH2-CD2 4.17Å; W59-Y64 HydrophobicContact CH2-CG 4.48Å; W59-Y64 AromaticContact CZ2-CD2 3.71Å; W59-Y64 HydrophobicContact CZ2-CD2 3.71Å; W59-Y64 AromaticContact CZ2-CG 3.67Å; W59-Y64 HydrophobicContact CZ2-CG 3.67Å; W59-I143 CarbonylContact C-O 3.39Å; W59-I143 WeakPolarHBondContact CA-O 3.44Å; W59-I143 HydrophobicContact CE3-CG2 4.45Å; W59-C145 HydrophobicContact CH2-CB 4.28Å; W59-C145 HydrophobicContact CZ3-CB 4.32Å
60	D	98.3	Very high	97.5	Very high	16 Å²	16	53.8 Å²	53.8	9%	0.086	28%	0.276	C	S	.	.			trans	-128.7	118.6	174.9	-174.3	-75.9	0	0	0	110.5	G62 L63 Y64 R88 W89 H142 I143	D60-G62 VanDerWaalsContact C-N 3.27Å; D60-G62 PolarHBondContact O-N 3.31Å; D60-G62 WeakPolarHBondContact OD1-CA 3.36Å; D60-G62 PolarHBondContact OD1-N 3.25Å; D60-L63 HydrophobicContact CB-CB 4.26Å; D60-L63 HydrophobicContact CB-CD1 3.91Å; D60-L63 HydrophobicContact CB-CG 4.01Å; D60-L63 PolarHBondContact O-N 3.47Å; D60-L63 PolarHBondContact OD1-N 3.34Å; D60-Y64 PolarHBondContact O-N 2.86Å; D60-R88 IonicContact OD2-NH1 2.65Å; D60-R88 PolarHBondContact OD2-NH1 3.48Å; D60-R88 VanDerWaalsContact OD2-NH1 3.08Å; D60-W89 VanDerWaalsContact CG-NE1 3.33Å; D60-W89 PolarHBondContact OD2-NE1 2.69Å; D60-H142 HydrophobicContact CB-CB 4.09Å; D60-I143 PolarHBondContact N-O 2.95Å
61	D	96.5	Very high	97.5	Very high	109 Å²	109	53.8 Å²	53.8	58%	0.583	28%	0.276	S	S	*	.	H	α-helix	trans	-66.1	-29.2	-175.7	-68.1	-32	0	0	0	112.8	W59 Y64 V65	W59-D61 VanDerWaalsContact CD1-OD1 3.27Å; W59-D61 PolarHBondContact NE1-OD1 2.94Å; D61-Y64 WeakPolarHBondContact O-CB 3.3Å; D61-Y64 PolarHBondContact O-N 2.04Å; D61-V65 VanDerWaalsContact O-CG2 3.3Å; D61-V65 WeakPolarHBondContact O-CG2 3.42Å; D61-V65 PolarHBondContact O-N 2.97Å
62	G	97.2	Very high	97.4	Very high	29 Å²	29	55 Å²	55	30%	0.299	28%	0.281	S	S	.	.	H	α-helix	trans	-67.9	-41.2	176	0	0	0	0	0	112	D60 Y64 T66 T86	D60-G62 VanDerWaalsContact C-N 3.27Å; D60-G62 PolarHBondContact O-N 3.31Å; D60-G62 WeakPolarHBondContact OD1-CA 3.36Å; D60-G62 PolarHBondContact OD1-N 3.25Å; G62-Y64 VanDerWaalsContact C-N 3.33Å; G62-T66 PolarHBondContact O-N 3.34Å; G62-T66 PolarHBondContact O-OG1 2.97Å; G62-T66 VanDerWaalsContact O-OG1 3.06Å; G62-T86 WeakPolarHBondContact O-CG2 3.46Å
63	L	98.5	Very high	97.4	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-39.7	172.9	-64.3	178.9	0	0	0	111.2	D60 T66 A67 T86 W89 V92 H142 N164 A166	D60-L63 HydrophobicContact CB-CB 4.26Å; D60-L63 HydrophobicContact CB-CD1 3.91Å; D60-L63 HydrophobicContact CB-CG 4.01Å; D60-L63 PolarHBondContact O-N 3.47Å; D60-L63 PolarHBondContact OD1-N 3.34Å; L63-T66 PolarHBondContact O-OG1 2.8Å; L63-A67 VanDerWaalsContact O-CB 3.26Å; L63-A67 WeakPolarHBondContact O-CB 3.08Å; L63-A67 PolarHBondContact O-N 2.66Å; L63-T86 HydrophobicContact CD2-CG2 3.9Å; L63-W89 HydrophobicContact CD2-CB 4.34Å; L63-W89 HydrophobicContact CD2-CG 4.27Å; L63-V92 HydrophobicContact CD2-CB 4.46Å; L63-V92 HydrophobicContact CD2-CG1 3.86Å; L63-V92 HydrophobicContact CD2-CG2 3.73Å; L63-H142 HydrophobicContact CD1-CB 3.94Å; L63-N164 HydrophobicContact CB-CB 4.02Å; L63-N164 HydrophobicContact CD2-CB 4.09Å; L63-N164 PolarHBondContact O-ND2 3.26Å; L63-A166 HydrophobicContact CD1-CB 3.75Å; L63-A166 HydrophobicContact CD2-CB 4.09Å; L63-A166 HydrophobicContact CG-CB 4.47Å
64	Y	97.5	Very high	97.3	Very high	65 Å²	65	47.8 Å²	47.8	26%	0.255	25%	0.252	S	S	.	.	H	α-helix	trans	-60.6	-51.4	175.7	158.4	-111	0	0	0	112.2	T26 W59 D60 D61 G62 T66 A67 Q68 C145	T26-Y64 HydrophobicContact CG2-CE2 4.34Å; W59-Y64 HydrophobicContact CH2-CD2 4.17Å; W59-Y64 HydrophobicContact CH2-CG 4.48Å; W59-Y64 AromaticContact CZ2-CD2 3.71Å; W59-Y64 HydrophobicContact CZ2-CD2 3.71Å; W59-Y64 AromaticContact CZ2-CG 3.67Å; W59-Y64 HydrophobicContact CZ2-CG 3.67Å; D60-Y64 PolarHBondContact O-N 2.86Å; D61-Y64 WeakPolarHBondContact O-CB 3.3Å; D61-Y64 PolarHBondContact O-N 2.04Å; G62-Y64 VanDerWaalsContact C-N 3.33Å; Y64-T66 VanDerWaalsContact C-N 3.32Å; Y64-T66 PolarHBondContact O-N 3.24Å; Y64-A67 PolarHBondContact O-N 2.04Å; Y64-A67 VanDerWaalsContact O-N 3.13Å; Y64-Q68 HydrophobicContact CD2-CB 4.39Å; Y64-Q68 HydrophobicContact CE2-CB 3.96Å; Y64-Q68 HydrophobicContact CE2-CG 4.3Å; Y64-Q68 WeakPolarHBondContact O-CB 3.48Å; Y64-Q68 PolarHBondContact O-N 3.38Å; Y64-C145 VanDerWaalsContact CD2-O 3.27Å; Y64-C145 WeakPolarHBondContact CD2-O 3.5Å
65	V	96.4	Very high	97	Very high	69 Å²	69	51.4 Å²	51.4	42%	0.418	27%	0.269	S	S	.	.	H	α-helix	trans	-57.4	-47.2	-177.4	167	0	0	0	0	110.9	D61 Q68 Q69	D61-V65 VanDerWaalsContact O-CG2 3.3Å; D61-V65 WeakPolarHBondContact O-CG2 3.42Å; D61-V65 PolarHBondContact O-N 2.97Å; V65-Q68 PolarHBondContact O-N 2.93Å; V65-Q69 WeakPolarHBondContact O-CB 3.4Å; V65-Q69 VanDerWaalsContact O-CG 3.29Å; V65-Q69 WeakPolarHBondContact O-CG 3.19Å; V65-Q69 PolarHBondContact O-N 3.17Å
66	T	97.4	Very high	96.8	Very high	23 Å²	23	53 Å²	53	14%	0.141	27%	0.267	C	S	.	.	H	α-helix	trans	-67	-36.4	178.8	51.5	0	0	0	0	112.4	G62 L63 Y64 Y70 T86 N164	G62-T66 PolarHBondContact O-N 3.34Å; G62-T66 PolarHBondContact O-OG1 2.97Å; G62-T66 VanDerWaalsContact O-OG1 3.06Å; L63-T66 PolarHBondContact O-OG1 2.8Å; Y64-T66 VanDerWaalsContact C-N 3.32Å; Y64-T66 PolarHBondContact O-N 3.24Å; T66-Y70 WeakPolarHBondContact O-CB 3.48Å; T66-Y70 PolarHBondContact O-N 3.23Å; T66-Y70 VanDerWaalsContact O-N 3.14Å; T66-T86 HydrophobicContact CG2-CG2 4.18Å; T66-N164 PolarHBondContact OG1-ND2 3.01Å
67	A	98.1	Very high	96.6	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67.3	-41.8	174.9	0	0	0	0	0	112.1	L63 Y64 Y70 A71 V162 N164	L63-A67 VanDerWaalsContact O-CB 3.26Å; L63-A67 WeakPolarHBondContact O-CB 3.08Å; L63-A67 PolarHBondContact O-N 2.66Å; Y64-A67 PolarHBondContact O-N 2.04Å; Y64-A67 VanDerWaalsContact O-N 3.13Å; A67-Y70 PolarHBondContact O-N 2.96Å; A67-A71 WeakPolarHBondContact O-CB 3.41Å; A67-A71 PolarHBondContact O-N 2.78Å; A67-V162 HydrophobicContact CB-CB 4.12Å; A67-V162 HydrophobicContact CB-CG1 3.84Å; A67-N164 HydrophobicContact CB-CB 4.32Å; A67-N164 PolarHBondContact N-ND2 2.72Å
68	Q	96.8	Very high	96.4	Very high	23 Å²	23	57.7 Å²	57.7	11%	0.107	30%	0.296	C	S	.	.	H	α-helix	trans	-65.1	-47.2	179	-175.6	58.4	44.8	0	0	111.6	Y64 V65 Y70 A71 E72 V147	Y64-Q68 HydrophobicContact CD2-CB 4.39Å; Y64-Q68 HydrophobicContact CE2-CB 3.96Å; Y64-Q68 HydrophobicContact CE2-CG 4.3Å; Y64-Q68 WeakPolarHBondContact O-CB 3.48Å; Y64-Q68 PolarHBondContact O-N 3.38Å; V65-Q68 PolarHBondContact O-N 2.93Å; Q68-Y70 PolarHBondContact O-N 2.83Å; Q68-A71 PolarHBondContact O-N 2.9Å; Q68-E72 PolarHBondContact NE2-OE1 3.27Å; Q68-E72 VanDerWaalsContact NE2-OE1 3.14Å; Q68-E72 WeakPolarHBondContact O-CG 3.37Å; Q68-E72 PolarHBondContact O-N 3.03Å; Q68-E72 VanDerWaalsContact O-N 3.12Å; Q68-V147 PolarHBondContact NE2-O 3.42Å; Q68-V147 PolarHBondContact OE1-O 2.71Å
69	Q	96.5	Very high	96.3	Very high	119 Å²	119	53.5 Å²	53.5	56%	0.556	28%	0.276	S	S	*	.	H	α-helix	trans	-58.2	-36.1	174	-73.8	175.3	-17.6	0	0	112.2	V65	V65-Q69 WeakPolarHBondContact O-CB 3.4Å; V65-Q69 VanDerWaalsContact O-CG 3.29Å; V65-Q69 WeakPolarHBondContact O-CG 3.19Å; V65-Q69 PolarHBondContact O-N 3.17Å
70	Y	97.5	Very high	96.3	Very high	13 Å²	13	52 Å²	52	5%	0.051	28%	0.281	C	S	.	.	H	α-helix	trans	-74.5	-40	177.1	-163.8	-110.5	0	0	0	112.4	T66 A67 Q68 E72 K73 E75 I77 S79 V96 V162	T66-Y70 WeakPolarHBondContact O-CB 3.48Å; T66-Y70 PolarHBondContact O-N 3.23Å; T66-Y70 VanDerWaalsContact O-N 3.14Å; A67-Y70 PolarHBondContact O-N 2.96Å; Q68-Y70 PolarHBondContact O-N 2.83Å; Y70-E72 PolarHBondContact O-N 3.35Å; Y70-K73 HydrophobicContact CD2-CD 3.77Å; Y70-K73 HydrophobicContact CE2-CD 3.84Å; Y70-K73 WeakPolarHBondContact O-CB 3.41Å; Y70-K73 PolarHBondContact O-N 3.23Å; Y70-E75 PolarHBondContact OH-OE2 3Å; Y70-I77 VanDerWaalsContact CE1-O 3.25Å; Y70-I77 WeakPolarHBondContact CE1-O 3.43Å; Y70-I77 PolarHBondContact OH-O 3.35Å; Y70-S79 VanDerWaalsContact CE2-CB 3.4Å; Y70-V96 HydrophobicContact CE1-CG2 4.23Å; Y70-V162 HydrophobicContact CD1-CG1 4.25Å; Y70-V162 HydrophobicContact CD1-CG2 3.9Å
71	A	96	Very high	96.2	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.6	-36.8	176.6	0	0	0	0	0	112.3	A67 Q68 K73 C74 H148 I160 V162	A67-A71 WeakPolarHBondContact O-CB 3.41Å; A67-A71 PolarHBondContact O-N 2.78Å; Q68-A71 PolarHBondContact O-N 2.9Å; A71-K73 PolarHBondContact O-N 2.81Å; A71-C74 PolarHBondContact O-N 3.04Å; A71-H148 HydrophobicContact CB-CB 3.91Å; A71-H148 WeakPolarHBondContact O-CB 3.44Å; A71-I160 HydrophobicContact CB-CG2 4.25Å; A71-V162 HydrophobicContact CB-CB 4.45Å; A71-V162 HydrophobicContact CB-CG2 3.86Å
72	E	95.2	Very high	96.1	Very high	103 Å²	103	59.8 Å²	59.8	48%	0.481	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.1	177.2	-74.7	166.4	-165.3	0	0	114.2	Q68 Y70 C74 H148	Q68-E72 PolarHBondContact NE2-OE1 3.27Å; Q68-E72 VanDerWaalsContact NE2-OE1 3.14Å; Q68-E72 WeakPolarHBondContact O-CG 3.37Å; Q68-E72 PolarHBondContact O-N 3.03Å; Q68-E72 VanDerWaalsContact O-N 3.12Å; Y70-E72 PolarHBondContact O-N 3.35Å; E72-C74 PolarHBondContact O-N 2.9Å; E72-H148 HydrophobicContact CG-CB 4.32Å
73	K	95.2	Very high	96	Very high	112 Å²	112	63.6 Å²	63.6	49%	0.487	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-16.1	172.7	-60.4	-173.9	-179.1	-179	0	112.7	Y70 A71 E75	Y70-K73 HydrophobicContact CD2-CD 3.77Å; Y70-K73 HydrophobicContact CE2-CD 3.84Å; Y70-K73 WeakPolarHBondContact O-CB 3.41Å; Y70-K73 PolarHBondContact O-N 3.23Å; A71-K73 PolarHBondContact O-N 2.81Å; K73-E75 HydrophobicContact CB-CG 4.14Å; K73-E75 PolarHBondContact O-N 3.33Å
74	C	95.4	Very high	95.9	Very high	19 Å²	19	64.9 Å²	64.9	13%	0.128	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	32.8	-178.3	-75.1	0	0	0	0	114	A71 E72 C150 N155	A71-C74 PolarHBondContact O-N 3.04Å; E72-C74 PolarHBondContact O-N 2.9Å; C74-C150 WeakPolarHBondContact CA-SG 3.17Å; C74-C150 HydrophobicContact CB-CB 3.93Å; C74-C150 WeakPolarHBondContact CB-SG 3.47Å; C74-C150 WeakPolarHBondContact SG-CA 3.48Å; C74-C150 WeakPolarHBondContact SG-CB 3.27Å; C74-C150 CovalentContact SG-SG 2.03Å; C74-C150 PolarHBondContact SG-SG 3.33Å; C74-N155 PolarHBondContact O-ND2 3.27Å
75	E	93.8	Very high	96	Very high	77 Å²	77	64.1 Å²	64.1	36%	0.36	34%	0.337	S	S	.	.			trans	-98	134	177.2	-68.7	173.2	-169.7	0	0	110.5	Y70 K73 I77	Y70-E75 PolarHBondContact OH-OE2 3Å; K73-E75 HydrophobicContact CB-CG 4.14Å; K73-E75 PolarHBondContact O-N 3.33Å; E75-I77 HydrophobicContact CB-CG1 4.21Å
76	N	92.6	Very high	96	Very high	77 Å²	77	61.6 Å²	61.6	41%	0.412	32%	0.322	S	S	.	.			trans	-102.7	44.9	176.2	-171.8	37.5	0	0	0	111.5	Q98 I160	N76-Q98 HydrophobicContact CB-CB 4.02Å; N76-Q98 PolarHBondContact OD1-N 3.22Å; N76-Q98 VanDerWaalsContact OD1-N 3.15Å; N76-I160 HydrophobicContact CB-CD1 4.02Å
77	I	94	Very high	96	Very high	105 Å²	105	66.9 Å²	66.9	54%	0.538	36%	0.359	S	S	.	.	S	Bend	trans	-134.9	153.8	173.7	54.7	170.8	0	0	0	107.9	Y70 E75	Y70-I77 VanDerWaalsContact CE1-O 3.25Å; Y70-I77 WeakPolarHBondContact CE1-O 3.43Å; Y70-I77 PolarHBondContact OH-O 3.35Å; E75-I77 HydrophobicContact CB-CG1 4.21Å
78	P	94.7	Very high	96	Very high	84 Å²	84	73.9 Å²	73.9	55%	0.545	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-64.5	141.5	173.2	-21.8	34	0	0	0	111.8
79	S	96.9	Very high	96	Very high	11 Å²	11	74.7 Å²	74.7	8%	0.077	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-64.3	163.1	171.6	78.4	0	0	0	0	111.6	Y70 Q94	Y70-S79 VanDerWaalsContact CE2-CB 3.4Å; S79-Q94 PolarHBondContact OG-NE2 3.13Å; S79-Q94 PolarHBondContact OG-OE1 3.45Å
80	G	97.6	Very high	96.1	Very high	37 Å²	37	76.2 Å²	76.2	38%	0.381	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-57.2	149.5	167.7	0	0	0	0	0	111.5	Q82 D83	G80-Q82 PolarHBondContact O-N 3.35Å; G80-D83 WeakPolarHBondContact CA-OD2 3.24Å; G80-D83 PolarHBondContact N-OD2 2.94Å; G80-D83 PolarHBondContact O-N 3.15Å
81	L	96	Very high	96.1	Very high	122 Å²	122	78.7 Å²	78.7	64%	0.639	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-35.6	-178.2	-63.9	-177.7	0	0	0	112.5	R84 T85	L81-R84 VanDerWaalsContact CD2-CZ 3.45Å; L81-R84 WeakPolarHBondContact O-CG 3.32Å; L81-T85 WeakPolarHBondContact O-CG2 3.48Å
82	Q	95.5	Very high	96.2	Very high	168 Å²	168	78.9 Å²	78.9	79%	0.785	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-34.6	179.5	-64.9	-174.5	-1.5	0	0	112.1	G80 R84 T85	G80-Q82 PolarHBondContact O-N 3.35Å; Q82-R84 PolarHBondContact O-N 2.96Å; Q82-T85 PolarHBondContact O-N 2.82Å; Q82-T85 PolarHBondContact O-OG1 3.34Å
83	D	95.4	Very high	96.4	Very high	108 Å²	108	74.1 Å²	74.1	58%	0.578	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.6	-175.4	-57	-33.4	0	0	0	113.5	G80	G80-D83 WeakPolarHBondContact CA-OD2 3.24Å; G80-D83 PolarHBondContact N-OD2 2.94Å; G80-D83 PolarHBondContact O-N 3.15Å
84	R	96.7	Very high	96.6	Very high	28 Å²	28	69.5 Å²	69.5	11%	0.106	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	5.2	179.9	60.8	-175	-167.8	-161.3	17	113.8	L81 Q82 V92	L81-R84 VanDerWaalsContact CD2-CZ 3.45Å; L81-R84 WeakPolarHBondContact O-CG 3.32Å; Q82-R84 PolarHBondContact O-N 2.96Å; R84-V92 HydrophobicContact CB-CB 4.5Å; R84-V92 HydrophobicContact CB-CG1 4.12Å; R84-V92 HydrophobicContact CG-CB 4.08Å; R84-V92 HydrophobicContact CG-CG1 4.07Å; R84-V92 PolarHBondContact NE-O 3.08Å; R84-V92 PolarHBondContact NH2-O 2.99Å; R84-V92 WeakPolarHBondContact O-CB 3.48Å; R84-V92 WeakPolarHBondContact O-CG1 3.04Å; R84-V92 VanDerWaalsContact O-CG2 3.32Å; R84-V92 WeakPolarHBondContact O-CG2 3.46Å
85	T	97.9	Very high	96.7	Very high	48 Å²	48	68.9 Å²	68.9	29%	0.294	37%	0.366	S	S	.	.			trans	-72.3	154.3	174.2	64.5	0	0	0	0	111.1	L81 Q82 W89 K90	L81-T85 WeakPolarHBondContact O-CG2 3.48Å; Q82-T85 PolarHBondContact O-N 2.82Å; Q82-T85 PolarHBondContact O-OG1 3.34Å; T85-W89 WeakPolarHBondContact CA-O 3.44Å; T85-K90 WeakPolarHBondContact CG2-O 3.46Å
86	T	97.5	Very high	96.8	Very high	16 Å²	16	65.7 Å²	65.7	10%	0.098	35%	0.352	C	S	.	.			trans	-121.8	178.1	175	80.2	0	0	0	0	110.3	G62 L63 T66 R88 W89 K90	G62-T86 WeakPolarHBondContact O-CG2 3.46Å; L63-T86 HydrophobicContact CD2-CG2 3.9Å; T66-T86 HydrophobicContact CG2-CG2 4.18Å; T86-R88 PolarHBondContact O-N 3.13Å; T86-R88 PolarHBondContact OG1-N 3.11Å; T86-R88 VanDerWaalsContact OG1-N 3.15Å; T86-W89 PolarHBondContact N-O 3.19Å; T86-W89 PolarHBondContact OG1-N 2.92Å; T86-K90 PolarHBondContact O-NZ 2.81Å
87	C	96.4	Very high	97	Very high	134 Å²	134	62.2 Å²	62.2	91%	0.905	33%	0.334	S	S	*	.	S	Bend	trans	-56.2	-39.4	170.1	-63.7	0	0	0	0	111.5
88	R	98.1	Very high	97.1	Very high	148 Å²	148	60.5 Å²	60.5	56%	0.558	32%	0.324	S	S	*	.	S	Bend	trans	-89	-33.3	-176.7	-172.7	177	-179.6	-160.4	1	113.5	D60 T86 H142	D60-R88 IonicContact OD2-NH1 2.65Å; D60-R88 PolarHBondContact OD2-NH1 3.48Å; D60-R88 VanDerWaalsContact OD2-NH1 3.08Å; T86-R88 PolarHBondContact O-N 3.13Å; T86-R88 PolarHBondContact OG1-N 3.11Å; T86-R88 VanDerWaalsContact OG1-N 3.15Å; R88-H142 PolarHBondContact NH1-NE2 3.47Å; R88-H142 PolarHBondContact NH2-NE2 3.34Å
89	W	98.3	Very high	97.1	Very high	40 Å²	40	57 Å²	57	15%	0.152	30%	0.301	C	S	.	.			trans	-121	114	-167.1	-54.3	118.7	0	0	0	111.6	D60 L63 T85 T86 V92 H142 A166	D60-W89 VanDerWaalsContact CG-NE1 3.33Å; D60-W89 PolarHBondContact OD2-NE1 2.69Å; L63-W89 HydrophobicContact CD2-CB 4.34Å; L63-W89 HydrophobicContact CD2-CG 4.27Å; T85-W89 WeakPolarHBondContact CA-O 3.44Å; T86-W89 PolarHBondContact N-O 3.19Å; T86-W89 PolarHBondContact OG1-N 2.92Å; W89-V92 HydrophobicContact CB-CG2 3.58Å; W89-H142 AromaticContact CH2-CE1 3.88Å; W89-H142 AromaticContact CH2-ND1 3.73Å; W89-H142 HydrophobicContact CZ2-CB 4.18Å; W89-H142 AromaticContact CZ2-CD2 3.87Å; W89-H142 AromaticContact CZ2-CE1 3.77Å; W89-H142 AromaticContact CZ2-CG 3.62Å; W89-H142 AromaticContact CZ2-ND1 3.55Å; W89-H142 AromaticContact CZ2-NE2 3.94Å; W89-A166 HydrophobicContact CB-CB 3.85Å; W89-A166 HydrophobicContact CD2-CB 3.38Å; W89-A166 HydrophobicContact CE3-CB 3.76Å; W89-A166 HydrophobicContact CG-CB 3.43Å; W89-A166 VanDerWaalsContact CG-CB 3.43Å; W89-A166 HydrophobicContact CZ2-CB 4.45Å; W89-A166 HydrophobicContact CZ3-CB 4.43Å
90	K	97.5	Very high	96.9	Very high	150 Å²	150	60 Å²	60	65%	0.652	32%	0.322	S	S	*	.	S	Bend	trans	-93.8	-23.5	175.4	-56.1	-51.9	179.2	-165.3	0	113.4	T85 T86	T85-K90 WeakPolarHBondContact CG2-O 3.46Å; T86-K90 PolarHBondContact O-NZ 2.81Å
91	S	98	Very high	96.7	Very high	65 Å²	65	60.2 Å²	60.2	46%	0.455	32%	0.317	S	S	.	.	S	Bend	trans	-108	104.6	171	-179.7	0	0	0	0	108.3	P167 A168	S91-P167 WeakPolarHBondContact O-CA 3.07Å; S91-A168 PolarHBondContact O-N 3.26Å; S91-A168 VanDerWaalsContact O-N 3.13Å; S91-A168 VanDerWaalsContact OG-CB 3.25Å; S91-A168 WeakPolarHBondContact OG-CB 3.22Å; S91-A168 PolarHBondContact OG-N 3.24Å
92	V	98.8	Very high	96.4	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.03	29%	0.287	C	S	.	.			trans	-122.8	128.8	179.4	175.4	0	0	0	0	108.2	L63 R84 W89 N164 Y165	L63-V92 HydrophobicContact CD2-CB 4.46Å; L63-V92 HydrophobicContact CD2-CG1 3.86Å; L63-V92 HydrophobicContact CD2-CG2 3.73Å; R84-V92 HydrophobicContact CB-CB 4.5Å; R84-V92 HydrophobicContact CB-CG1 4.12Å; R84-V92 HydrophobicContact CG-CB 4.08Å; R84-V92 HydrophobicContact CG-CG1 4.07Å; R84-V92 PolarHBondContact NE-O 3.08Å; R84-V92 PolarHBondContact NH2-O 2.99Å; R84-V92 WeakPolarHBondContact O-CB 3.48Å; R84-V92 WeakPolarHBondContact O-CG1 3.04Å; R84-V92 VanDerWaalsContact O-CG2 3.32Å; R84-V92 WeakPolarHBondContact O-CG2 3.46Å; W89-V92 HydrophobicContact CB-CG2 3.58Å; V92-N164 HydrophobicContact CG1-CB 3.72Å; V92-Y165 CarbonylContact C-O 3.55Å; V92-Y165 VanDerWaalsContact CA-O 3.26Å; V92-Y165 WeakPolarHBondContact CA-O 3.27Å
93	G	98.4	Very high	96	Very high	2 Å²	2	50.5 Å²	50.5	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	159.7	168.6	0	0	0	0	0	110.1	N164 Y165 A168	G93-N164 CarbonylContact O-C 3.55Å; G93-N164 VanDerWaalsContact O-CA 3.3Å; G93-N164 WeakPolarHBondContact O-CA 3.39Å; G93-Y165 PolarHBondContact N-O 3.4Å; G93-Y165 PolarHBondContact O-N 2.96Å; G93-A168 VanDerWaalsContact N-CB 3.31Å
94	Q	98.4	Very high	95.9	Very high	16 Å²	16	48.7 Å²	48.7	8%	0.075	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	135.3	178.2	-173.5	177.2	81.3	0	0	111.5	S79 V96 V162 C163 N164	S79-Q94 PolarHBondContact OG-NE2 3.13Å; S79-Q94 PolarHBondContact OG-OE1 3.45Å; Q94-V96 HydrophobicContact CG-CG2 3.83Å; Q94-V162 HydrophobicContact CG-CG1 3.71Å; Q94-C163 VanDerWaalsContact CA-O 3.3Å; Q94-C163 WeakPolarHBondContact CA-O 3.06Å; Q94-N164 VanDerWaalsContact CG-OD1 3.26Å; Q94-N164 WeakPolarHBondContact CG-OD1 3.32Å; Q94-N164 PolarHBondContact NE2-OD1 3.08Å
95	N	98.1	Very high	95.8	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.027	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	136.1	164.5	-73.5	-12.1	0	0	0	108.8	W109 M131 L135 V162 C163 Y165	N95-W109 HydrophobicContact CB-CD2 3.73Å; N95-W109 HydrophobicContact CB-CE3 4.01Å; N95-W109 HydrophobicContact CB-CG 4.3Å; N95-W109 HydrophobicContact CB-CH2 3.89Å; N95-W109 HydrophobicContact CB-CZ2 3.64Å; N95-W109 HydrophobicContact CB-CZ3 4.07Å; N95-M131 HydrophobicContact CB-CE 3.75Å; N95-M131 PolarHBondContact ND2-O 2.74Å; N95-M131 WeakPolarHBondContact OD1-CA 3.42Å; N95-L135 WeakPolarHBondContact ND2-CD1 3.35Å; N95-V162 WeakPolarHBondContact O-CA 3.33Å; N95-C163 PolarHBondContact N-O 3.24Å; N95-C163 PolarHBondContact O-N 3.13Å; N95-Y165 HydrophobicContact CB-CE2 3.84Å; N95-Y165 PolarHBondContact ND2-OH 2.93Å
96	V	97.3	Very high	95.4	Very high	11 Å²	11	45.1 Å²	45.1	7%	0.067	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.5	178	-175.1	0	0	0	0	108.5	Y70 Q94 M131 I160 V161 V162	Y70-V96 HydrophobicContact CE1-CG2 4.23Å; Q94-V96 HydrophobicContact CG-CG2 3.83Å; V96-M131 VanDerWaalsContact O-CE 3.29Å; V96-M131 WeakPolarHBondContact O-CE 3.29Å; V96-I160 HydrophobicContact CG1-CG2 4.12Å; V96-V161 CarbonylContact C-O 3.59Å; V96-V161 WeakPolarHBondContact CA-O 3.45Å; V96-V162 HydrophobicContact CG1-CG2 4.31Å; V96-V162 HydrophobicContact CG2-CG1 4.4Å; V96-V162 HydrophobicContact CG2-CG2 4.3Å
97	A	96.1	Very high	95.1	Very high	4 Å²	4	47 Å²	47	3%	0.033	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	137.6	174.4	0	0	0	0	0	111.3	V99 A105 W109 I160 V161	A97-V99 HydrophobicContact CB-CG1 4.14Å; A97-A105 HydrophobicContact CB-CB 3.84Å; A97-W109 HydrophobicContact CB-CZ2 3.81Å; A97-I160 WeakPolarHBondContact O-CA 3.38Å; A97-V161 PolarHBondContact N-O 3.36Å; A97-V161 PolarHBondContact O-N 2.8Å
98	Q	95.5	Very high	95	Very high	69 Å²	69	44.6 Å²	44.6	32%	0.322	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	117.7	164	-178.9	-174.4	-48.1	0	0	110	N76 N155 K158 Y159 I160	N76-Q98 HydrophobicContact CB-CB 4.02Å; N76-Q98 PolarHBondContact OD1-N 3.22Å; N76-Q98 VanDerWaalsContact OD1-N 3.15Å; Q98-N155 PolarHBondContact OE1-OD1 3.18Å; Q98-K158 HydrophobicContact CG-CB 3.72Å; Q98-K158 HydrophobicContact CG-CG 4.08Å; Q98-Y159 WeakPolarHBondContact CA-O 3.18Å; Q98-I160 HydrophobicContact CB-CD1 3.7Å; Q98-I160 HydrophobicContact CG-CD1 4.04Å
99	V	95.2	Very high	94.9	Very high	10 Å²	10	37.6 Å²	37.6	6%	0.061	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	155	-173.7	-69.7	0	0	0	0	112.3	A97 S101 D104 A105 V108 Y159 V161	A97-V99 HydrophobicContact CB-CG1 4.14Å; V99-S101 VanDerWaalsContact C-N 3.3Å; V99-S101 WeakPolarHBondContact CB-O 3.13Å; V99-S101 WeakPolarHBondContact CG2-O 3.39Å; V99-D104 HydrophobicContact CB-CB 4.08Å; V99-D104 HydrophobicContact CG1-CB 3.88Å; V99-A105 HydrophobicContact CG1-CB 4.36Å; V99-A105 HydrophobicContact CG2-CB 4.23Å; V99-V108 HydrophobicContact CG1-CG2 4.46Å; V99-Y159 PolarHBondContact N-O 2.86Å; V99-Y159 PolarHBondContact O-N 3.36Å; V99-V161 HydrophobicContact CG2-CG2 3.85Å
100	S	93.2	Very high	94.7	Very high	74 Å²	74	38.6 Å²	38.6	52%	0.517	21%	0.205	S	C	.	.	S	Bend	trans	-78.1	-22.2	173.1	-47.9	0	0	0	0	111.9	K158	S100-K158 PolarHBondContact OG-NZ 3.36Å
101	S	91.8	Very high	94.6	Very high	41 Å²	41	34 Å²	34	29%	0.287	19%	0.187	S	C	.	.	S	Bend	trans	-139.3	133.1	-179.3	178.5	0	0	0	0	108.9	V99 Y103 D104	V99-S101 VanDerWaalsContact C-N 3.3Å; V99-S101 WeakPolarHBondContact CB-O 3.13Å; V99-S101 WeakPolarHBondContact CG2-O 3.39Å; S101-Y103 PolarHBondContact O-N 3.24Å; S101-Y103 VanDerWaalsContact O-N 3.1Å; S101-Y103 WeakPolarHBondContact OG-CD2 3.33Å; S101-D104 WeakPolarHBondContact CB-OD2 3.38Å; S101-D104 WeakPolarHBondContact O-CB 3.1Å; S101-D104 PolarHBondContact O-N 2.71Å
102	V	90.5	Very high	94.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-55.6	-32.9	-178.4	177.4	0	0	0	0	111.8	F25 L29 D104 A105 V147 Y159 V161	F25-V102 HydrophobicContact CB-CG1 4.24Å; F25-V102 HydrophobicContact CD1-CB 3.78Å; F25-V102 HydrophobicContact CD1-CG1 3.88Å; F25-V102 HydrophobicContact CD1-CG2 3.78Å; F25-V102 HydrophobicContact CD2-CG2 4.18Å; F25-V102 HydrophobicContact CE1-CB 3.93Å; F25-V102 HydrophobicContact CE1-CG2 3.7Å; F25-V102 HydrophobicContact CE2-CG2 4.07Å; F25-V102 HydrophobicContact CG-CB 4.36Å; F25-V102 HydrophobicContact CG-CG1 4.15Å; F25-V102 HydrophobicContact CG-CG2 4.04Å; F25-V102 HydrophobicContact CZ-CG2 3.86Å; L29-V102 HydrophobicContact CD1-CG1 4.26Å; L29-V102 HydrophobicContact CD2-CG1 4.04Å; L29-V102 HydrophobicContact CG-CG1 4.22Å; V102-D104 PolarHBondContact O-N 3.05Å; V102-A105 WeakPolarHBondContact O-CB 3.3Å; V102-A105 PolarHBondContact O-N 3.47Å; V102-V147 HydrophobicContact CG1-CG2 4.09Å; V102-V147 HydrophobicContact CG2-CG1 3.63Å; V102-Y159 HydrophobicContact CG2-CD1 3.87Å; V102-Y159 HydrophobicContact CG2-CD2 4.26Å; V102-Y159 HydrophobicContact CG2-CE1 4.16Å; V102-Y159 HydrophobicContact CG2-CG 3.91Å; V102-V161 HydrophobicContact CB-CG2 4.49Å; V102-V161 HydrophobicContact CG1-CG2 4.16Å; V102-V161 HydrophobicContact CG2-CG2 4.43Å
103	Y	87.9	Confident	94.2	Very high	86 Å²	86	32.2 Å²	32.2	34%	0.337	18%	0.176	S	C	.	.	H	α-helix	trans	-63.4	-25.6	178.8	-57.9	-80.6	0	0	0	113.3	T28 S101 A105	T28-Y103 HydrophobicContact CG2-CD1 3.52Å; T28-Y103 HydrophobicContact CG2-CE1 3.28Å; S101-Y103 PolarHBondContact O-N 3.24Å; S101-Y103 VanDerWaalsContact O-N 3.1Å; S101-Y103 WeakPolarHBondContact OG-CD2 3.33Å; Y103-A105 VanDerWaalsContact C-N 3.33Å; Y103-A105 PolarHBondContact O-N 2.76Å
104	D	93.1	Very high	94.1	Very high	69 Å²	69	40.4 Å²	40.4	37%	0.369	21%	0.206	S	C	.	.	H	α-helix	trans	-75	-23.3	-179	-64.4	-28.9	0	0	0	112.5	V99 S101 V102 I106 N107 V108	V99-D104 HydrophobicContact CB-CB 4.08Å; V99-D104 HydrophobicContact CG1-CB 3.88Å; S101-D104 WeakPolarHBondContact CB-OD2 3.38Å; S101-D104 WeakPolarHBondContact O-CB 3.1Å; S101-D104 PolarHBondContact O-N 2.71Å; V102-D104 PolarHBondContact O-N 3.05Å; D104-I106 VanDerWaalsContact C-N 3.32Å; D104-I106 PolarHBondContact O-N 3.46Å; D104-N107 WeakPolarHBondContact O-CB 3.07Å; D104-N107 PolarHBondContact O-N 3.06Å; D104-V108 WeakPolarHBondContact O-CG2 3.27Å; D104-V108 PolarHBondContact O-N 3.11Å
105	A	93.7	Very high	93.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.2	-43.7	-176.8	0	0	0	0	0	111.9	A97 V99 V102 Y103 N107 V108 W109 V161	A97-A105 HydrophobicContact CB-CB 3.84Å; V99-A105 HydrophobicContact CG1-CB 4.36Å; V99-A105 HydrophobicContact CG2-CB 4.23Å; V102-A105 WeakPolarHBondContact O-CB 3.3Å; V102-A105 PolarHBondContact O-N 3.47Å; Y103-A105 VanDerWaalsContact C-N 3.33Å; Y103-A105 PolarHBondContact O-N 2.76Å; A105-N107 VanDerWaalsContact C-N 3.33Å; A105-N107 PolarHBondContact O-N 3.3Å; A105-V108 WeakPolarHBondContact O-CB 3.11Å; A105-V108 PolarHBondContact O-N 3.17Å; A105-W109 HydrophobicContact CB-CH2 4.33Å; A105-W109 HydrophobicContact CB-CZ2 4.19Å; A105-W109 VanDerWaalsContact O-CD2 3.27Å; A105-W109 VanDerWaalsContact O-CG 3.28Å; A105-W109 PolarHBondContact O-N 3.18Å; A105-V161 HydrophobicContact CB-CB 3.8Å; A105-V161 HydrophobicContact CB-CG1 3.85Å; A105-V161 HydrophobicContact CB-CG2 3.94Å
106	I	89.1	Confident	93.9	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-68.9	-34.3	178.2	-63.2	135.5	0	0	0	111.5	L29 H32 V36 D104 V108 W109 R110	L29-I106 HydrophobicContact CD2-CD1 3.64Å; L29-I106 HydrophobicContact CD2-CG1 4.13Å; H32-I106 HydrophobicContact CB-CD1 3.33Å; H32-I106 HydrophobicContact CB-CG1 4.16Å; H32-I106 HydrophobicContact CB-CG2 4.24Å; V36-I106 HydrophobicContact CG2-CG2 4.19Å; D104-I106 VanDerWaalsContact C-N 3.32Å; D104-I106 PolarHBondContact O-N 3.46Å; I106-V108 VanDerWaalsContact C-N 3.34Å; I106-W109 PolarHBondContact O-N 2.8Å; I106-R110 WeakPolarHBondContact O-CB 3.46Å; I106-R110 PolarHBondContact O-N 2.65Å
107	N	92.4	Very high	93.8	Very high	55 Å²	55	46 Å²	46	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-62.9	-45.4	176.1	-68.2	-36.6	0	0	0	110.1	D104 A105 W109 R110 D111	D104-N107 WeakPolarHBondContact O-CB 3.07Å; D104-N107 PolarHBondContact O-N 3.06Å; A105-N107 VanDerWaalsContact C-N 3.33Å; A105-N107 PolarHBondContact O-N 3.3Å; N107-W109 VanDerWaalsContact C-N 3.3Å; N107-W109 PolarHBondContact O-N 2.89Å; N107-R110 PolarHBondContact O-N 3.44Å; N107-R110 VanDerWaalsContact OD1-CZ 3.22Å; N107-R110 PolarHBondContact OD1-NH1 3.29Å; N107-R110 PolarHBondContact OD1-NH2 3.33Å; N107-D111 VanDerWaalsContact O-CB 3.24Å; N107-D111 WeakPolarHBondContact O-CB 3.45Å; N107-D111 PolarHBondContact O-N 3.23Å; N107-D111 VanDerWaalsContact O-OD1 3.12Å
108	V	93.1	Very high	93.8	Very high	84 Å²	84	46.2 Å²	46.2	51%	0.509	23%	0.233	S	C	.	.	H	α-helix	trans	-54.1	-46.8	175.2	173.1	0	0	0	0	111.1	V99 D104 A105 I106	V99-V108 HydrophobicContact CG1-CG2 4.46Å; D104-V108 WeakPolarHBondContact O-CG2 3.27Å; D104-V108 PolarHBondContact O-N 3.11Å; A105-V108 WeakPolarHBondContact O-CB 3.11Å; A105-V108 PolarHBondContact O-N 3.17Å; I106-V108 VanDerWaalsContact C-N 3.34Å
109	W	95.7	Very high	93.7	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	25%	0.248	C	C	.	.	H	α-helix	trans	-74.8	-40.6	-177.7	-52.7	-25.5	0	0	0	113.1	H33 N95 A97 A105 I106 N107 D111 G112 M131 Y132 L135 V161 C163	H33-W109 AromaticContact CE1-CZ3 3.68Å; H33-W109 AromaticContact NE2-CE3 3.79Å; H33-W109 AromaticContact NE2-CZ3 3.63Å; N95-W109 HydrophobicContact CB-CD2 3.73Å; N95-W109 HydrophobicContact CB-CE3 4.01Å; N95-W109 HydrophobicContact CB-CG 4.3Å; N95-W109 HydrophobicContact CB-CH2 3.89Å; N95-W109 HydrophobicContact CB-CZ2 3.64Å; N95-W109 HydrophobicContact CB-CZ3 4.07Å; A97-W109 HydrophobicContact CB-CZ2 3.81Å; A105-W109 HydrophobicContact CB-CH2 4.33Å; A105-W109 HydrophobicContact CB-CZ2 4.19Å; A105-W109 VanDerWaalsContact O-CD2 3.27Å; A105-W109 VanDerWaalsContact O-CG 3.28Å; A105-W109 PolarHBondContact O-N 3.18Å; I106-W109 PolarHBondContact O-N 2.8Å; N107-W109 VanDerWaalsContact C-N 3.3Å; N107-W109 PolarHBondContact O-N 2.89Å; W109-D111 VanDerWaalsContact C-N 3.31Å; W109-D111 PolarHBondContact O-N 2.89Å; W109-G112 PolarHBondContact O-N 3.24Å; W109-M131 HydrophobicContact CB-CB 4Å; W109-M131 HydrophobicContact CG-CB 4.16Å; W109-M131 HydrophobicContact CG-CE 4.13Å; W109-M131 HydrophobicContact CG-SD 4.41Å; W109-Y132 WeakPolarHBondContact O-CA 3.38Å; W109-Y132 WeakPolarHBondContact O-CB 3.41Å; W109-Y132 PolarHBondContact O-N 2.66Å; W109-L135 HydrophobicContact CB-CD1 3.93Å; W109-L135 HydrophobicContact CB-CD2 4.04Å; W109-L135 HydrophobicContact CE3-CD1 4.09Å; W109-V161 HydrophobicContact CH2-CG1 3.98Å; W109-C163 HydrophobicContact CH2-CB 3.94Å; W109-C163 HydrophobicContact CZ3-CB 3.95Å
110	R	95.1	Very high	93.7	Very high	62 Å²	62	53.4 Å²	53.4	23%	0.234	27%	0.266	C	S	.	.	H	α-helix	trans	-67.2	-33.6	179.9	-176.9	-160.2	65.8	-136.5	-13.7	111.6	V36 I106 N107 G112 S113 L135	V36-R110 HydrophobicContact CG1-CG 4.24Å; V36-R110 HydrophobicContact CG2-CB 4.35Å; V36-R110 HydrophobicContact CG2-CG 3.99Å; I106-R110 WeakPolarHBondContact O-CB 3.46Å; I106-R110 PolarHBondContact O-N 2.65Å; N107-R110 PolarHBondContact O-N 3.44Å; N107-R110 VanDerWaalsContact OD1-CZ 3.22Å; N107-R110 PolarHBondContact OD1-NH1 3.29Å; N107-R110 PolarHBondContact OD1-NH2 3.33Å; R110-G112 PolarHBondContact O-N 3.42Å; R110-G112 VanDerWaalsContact O-N 3.13Å; R110-S113 VanDerWaalsContact O-CB 3.25Å; R110-S113 WeakPolarHBondContact O-CB 3.3Å; R110-S113 PolarHBondContact O-N 3.3Å; R110-S113 PolarHBondContact O-OG 2.91Å; R110-L135 HydrophobicContact CB-CD2 4.42Å
111	D	94.7	Very high	93.8	Very high	53 Å²	53	52.3 Å²	52.3	28%	0.283	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-63.8	-18.4	-176.6	-78.9	10.1	0	0	0	112.9	N107 W109 S113 R114	N107-D111 VanDerWaalsContact O-CB 3.24Å; N107-D111 WeakPolarHBondContact O-CB 3.45Å; N107-D111 PolarHBondContact O-N 3.23Å; N107-D111 VanDerWaalsContact O-OD1 3.12Å; W109-D111 VanDerWaalsContact C-N 3.31Å; W109-D111 PolarHBondContact O-N 2.89Å; D111-S113 PolarHBondContact O-N 3.02Å; D111-S113 VanDerWaalsContact O-N 3.11Å; D111-R114 VanDerWaalsContact O-CB 3.29Å; D111-R114 WeakPolarHBondContact O-CB 3.26Å; D111-R114 WeakPolarHBondContact O-CG 3.32Å; D111-R114 PolarHBondContact O-N 3.2Å
112	G	94.3	Very high	94.1	Very high	5 Å²	5	55.7 Å²	55.7	5%	0.052	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-54.2	-26.1	166.8	0	0	0	0	0	113.6	W109 R110 R114 F115 Y116	W109-G112 PolarHBondContact O-N 3.24Å; R110-G112 PolarHBondContact O-N 3.42Å; R110-G112 VanDerWaalsContact O-N 3.13Å; G112-R114 PolarHBondContact O-N 3.41Å; G112-F115 PolarHBondContact O-N 2.97Å; G112-F115 VanDerWaalsContact O-N 3.08Å; G112-Y116 PolarHBondContact O-N 3.38Å
113	S	95	Very high	94.4	Very high	27 Å²	27	57.9 Å²	57.9	19%	0.189	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-58.6	-27.6	173.9	60.3	0	0	0	0	114	R110 D111 F115 Y132	R110-S113 VanDerWaalsContact O-CB 3.25Å; R110-S113 WeakPolarHBondContact O-CB 3.3Å; R110-S113 PolarHBondContact O-N 3.3Å; R110-S113 PolarHBondContact O-OG 2.91Å; D111-S113 PolarHBondContact O-N 3.02Å; D111-S113 VanDerWaalsContact O-N 3.11Å; S113-F115 PolarHBondContact O-N 2.93Å; S113-Y132 VanDerWaalsContact CB-CE2 3.45Å
114	R	95	Very high	94.8	Very high	174 Å²	174	57.7 Å²	57.7	66%	0.657	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-69.8	-21	179.5	-60.9	170.4	61.8	-174.7	-2.2	112.5	D111 G112	D111-R114 VanDerWaalsContact O-CB 3.29Å; D111-R114 WeakPolarHBondContact O-CB 3.26Å; D111-R114 WeakPolarHBondContact O-CG 3.32Å; D111-R114 PolarHBondContact O-N 3.2Å; G112-R114 PolarHBondContact O-N 3.41Å
115	F	96.1	Very high	95	Very high	57 Å²	57	60 Å²	60	25%	0.25	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-113.8	-0.2	-175	-51	-67.1	0	0	0	112.1	G112 S113 C123 V124 H127 C129	G112-F115 PolarHBondContact O-N 2.97Å; G112-F115 VanDerWaalsContact O-N 3.08Å; S113-F115 PolarHBondContact O-N 2.93Å; F115-C123 CarbonylContact O-C 3.55Å; F115-C123 WeakPolarHBondContact O-CA 3.14Å; F115-V124 HydrophobicContact CB-CB 4.17Å; F115-V124 HydrophobicContact CB-CG2 4.26Å; F115-V124 WeakPolarHBondContact O-CG2 3.5Å; F115-V124 PolarHBondContact O-N 3.16Å; F115-H127 HydrophobicContact CB-CB 3.8Å; F115-H127 HydrophobicContact CD1-CB 4.48Å; F115-H127 AromaticContact CD1-CD2 3.71Å; F115-H127 AromaticContact CD1-CE1 3.54Å; F115-H127 AromaticContact CD1-CG 3.67Å; F115-H127 AromaticContact CD1-ND1 3.57Å; F115-H127 AromaticContact CD1-NE2 3.61Å; F115-H127 HydrophobicContact CD2-CB 4.16Å; F115-H127 AromaticContact CD2-CG 3.84Å; F115-H127 AromaticContact CD2-ND1 3.41Å; F115-H127 WeakPolarHBondContact CD2-ND1 3.33Å; F115-H127 AromaticContact CE1-CE1 3.19Å; F115-H127 WeakPolarHBondContact CE1-CE1 3.22Å; F115-H127 AromaticContact CE1-ND1 3.58Å; F115-H127 AromaticContact CE1-NE2 3.54Å; F115-H127 AromaticContact CE2-CE1 3.75Å; F115-H127 AromaticContact CE2-ND1 3.41Å; F115-H127 WeakPolarHBondContact CE2-ND1 3.07Å; F115-H127 HydrophobicContact CG-CB 3.89Å; F115-H127 AromaticContact CG-CE1 3.95Å; F115-H127 AromaticContact CG-CG 3.51Å; F115-H127 AromaticContact CG-ND1 3.48Å; F115-H127 WeakPolarHBondContact CG-ND1 3.33Å; F115-H127 AromaticContact CZ-CE1 3.3Å; F115-H127 WeakPolarHBondContact CZ-CE1 3.38Å; F115-H127 AromaticContact CZ-ND1 3.5Å; F115-C129 VanDerWaalsContact C-SG 3.58Å
116	Y	97.2	Very high	95	Very high	21 Å²	21	67.7 Å²	67.7	8%	0.082	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.1	-176.2	-179.1	-108.3	0	0	0	111.6	G112 L118 D121 E122 C129 Y132 K133 P174	G112-Y116 PolarHBondContact O-N 3.38Å; Y116-L118 HydrophobicContact CE1-CB 4.02Å; Y116-L118 HydrophobicContact CE1-CD1 3.88Å; Y116-D121 WeakPolarHBondContact CE2-OD1 3.4Å; Y116-D121 PolarHBondContact OH-OD1 3.39Å; Y116-E122 WeakPolarHBondContact CA-O 3.44Å; Y116-E122 WeakPolarHBondContact CD2-O 3.29Å; Y116-C129 HydrophobicContact CD2-CB 3.99Å; Y116-C129 HydrophobicContact CG-CB 4.31Å; Y116-Y132 HydrophobicContact CD1-CD1 4.08Å; Y116-Y132 AromaticContact CD1-CE1 3.67Å; Y116-Y132 HydrophobicContact CD1-CE1 3.67Å; Y116-Y132 HydrophobicContact CE1-CE1 4.38Å; Y116-Y132 HydrophobicContact CG-CD1 4.23Å; Y116-Y132 HydrophobicContact CG-CE1 4.25Å; Y116-K133 HydrophobicContact CD2-CD 4.15Å; Y116-K133 HydrophobicContact CD2-CG 4.38Å; Y116-K133 HydrophobicContact CE2-CD 3.7Å; Y116-K133 HydrophobicContact CE2-CG 4.14Å; Y116-P174 HydrophobicContact CE1-CG 4.33Å; Y116-P174 WeakPolarHBondContact OH-CD 3.46Å
117	N	95.6	Very high	95.2	Very high	73 Å²	73	71.8 Å²	71.8	39%	0.39	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	106	172.5	-174.6	-20.8	0	0	0	110.1	K119 N120 D121 E122	N117-K119 VanDerWaalsContact C-N 3.29Å; N117-K119 PolarHBondContact O-N 3.09Å; N117-K119 VanDerWaalsContact OD1-CB 3.32Å; N117-K119 WeakPolarHBondContact OD1-CB 3.43Å; N117-K119 PolarHBondContact OD1-N 2.7Å; N117-N120 PolarHBondContact O-N 2.91Å; N117-D121 WeakPolarHBondContact O-CA 3.42Å; N117-D121 PolarHBondContact O-N 2.92Å; N117-E122 PolarHBondContact N-O 3.41Å; N117-E122 PolarHBondContact O-N 3.39Å
118	L	95.9	Very high	95.3	Very high	7 Å²	7	73.8 Å²	73.8	4%	0.037	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-39.6	177.7	-177.2	67.8	0	0	0	112.6	Y116 N120 D121 R173 Y175 D177	Y116-L118 HydrophobicContact CE1-CB 4.02Å; Y116-L118 HydrophobicContact CE1-CD1 3.88Å; L118-N120 VanDerWaalsContact C-N 3.26Å; L118-N120 PolarHBondContact O-N 2.94Å; L118-D121 PolarHBondContact O-N 2.92Å; L118-R173 HydrophobicContact CD1-CB 4.04Å; L118-R173 HydrophobicContact CD1-CG 4.15Å; L118-R173 WeakPolarHBondContact O-CD 3.25Å; L118-R173 PolarHBondContact O-NE 3.12Å; L118-Y175 HydrophobicContact CD1-CD2 4.24Å; L118-Y175 HydrophobicContact CD1-CE2 4.07Å; L118-Y175 WeakPolarHBondContact CD1-O 3.42Å; L118-Y175 HydrophobicContact CD2-CD2 3.87Å; L118-Y175 HydrophobicContact CD2-CE2 3.32Å; L118-Y175 HydrophobicContact CG-CE2 4.34Å; L118-D177 HydrophobicContact CD2-CB 3.87Å; L118-D177 HydrophobicContact CG-CB 4.49Å
119	K	92.9	Very high	95.4	Very high	146 Å²	146	70 Å²	70	64%	0.635	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-37.1	-173.3	-177.2	-177.5	173.3	-178.7	0	111.9	N117 R173	N117-K119 VanDerWaalsContact C-N 3.29Å; N117-K119 PolarHBondContact O-N 3.09Å; N117-K119 VanDerWaalsContact OD1-CB 3.32Å; N117-K119 WeakPolarHBondContact OD1-CB 3.43Å; N117-K119 PolarHBondContact OD1-N 2.7Å; K119-R173 PolarHBondContact O-NH2 3.09Å
120	N	94.9	Very high	95.5	Very high	85 Å²	85	73.1 Å²	73.1	46%	0.455	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-4.6	-178.8	-61.9	-9.8	0	0	0	113.5	N117 L118 E122	N117-N120 PolarHBondContact O-N 2.91Å; L118-N120 VanDerWaalsContact C-N 3.26Å; L118-N120 PolarHBondContact O-N 2.94Å; N120-E122 VanDerWaalsContact C-N 3.34Å; N120-E122 HydrophobicContact CB-CB 4.36Å; N120-E122 HydrophobicContact CB-CG 3.82Å; N120-E122 VanDerWaalsContact CB-OE2 3.29Å; N120-E122 WeakPolarHBondContact CB-OE2 3.25Å; N120-E122 PolarHBondContact ND2-OE2 3.39Å
121	D	96.9	Very high	95.5	Very high	50 Å²	50	72 Å²	72	27%	0.267	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	42.2	-170.1	-168.4	32	0	0	0	113.2	Y116 N117 L118 K133 G172 R173	Y116-D121 WeakPolarHBondContact CE2-OD1 3.4Å; Y116-D121 PolarHBondContact OH-OD1 3.39Å; N117-D121 WeakPolarHBondContact O-CA 3.42Å; N117-D121 PolarHBondContact O-N 2.92Å; L118-D121 PolarHBondContact O-N 2.92Å; D121-K133 IonicContact OD1-NZ 3.93Å; D121-K133 PolarHBondContact OD1-NZ 2.86Å; D121-K133 IonicContact OD2-NZ 3.91Å; D121-G172 VanDerWaalsContact CG-C 3.49Å; D121-G172 WeakPolarHBondContact OD2-CA 3.43Å; D121-R173 HydrophobicContact CB-CG 3.77Å; D121-R173 PolarHBondContact OD2-N 3.08Å
122	E	96.8	Very high	95.7	Very high	112 Å²	112	69.6 Å²	69.6	52%	0.523	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.6	-174.8	-71.1	173.9	151.9	0	0	111.1	Y116 N117 N120	Y116-E122 WeakPolarHBondContact CA-O 3.44Å; Y116-E122 WeakPolarHBondContact CD2-O 3.29Å; N117-E122 PolarHBondContact N-O 3.41Å; N117-E122 PolarHBondContact O-N 3.39Å; N120-E122 VanDerWaalsContact C-N 3.34Å; N120-E122 HydrophobicContact CB-CB 4.36Å; N120-E122 HydrophobicContact CB-CG 3.82Å; N120-E122 VanDerWaalsContact CB-OE2 3.29Å; N120-E122 WeakPolarHBondContact CB-OE2 3.25Å; N120-E122 PolarHBondContact ND2-OE2 3.39Å
123	C	97.2	Very high	95.9	Very high	48 Å²	48	71.1 Å²	71.1	32%	0.324	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	139	166.3	-165.9	0	0	0	0	108.7	F115 V125 H127 C129	F115-C123 CarbonylContact O-C 3.55Å; F115-C123 WeakPolarHBondContact O-CA 3.14Å; C123-V125 PolarHBondContact O-N 3.02Å; C123-H127 PolarHBondContact SG-O 3.44Å; C123-H127 VanDerWaalsContact SG-O 3.34Å; C123-C129 HydrophobicContact CB-CB 3.69Å; C123-C129 WeakPolarHBondContact CB-SG 3.43Å; C123-C129 WeakPolarHBondContact SG-CB 3.35Å; C123-C129 PolarHBondContact SG-N 2.93Å; C123-C129 CovalentContact SG-SG 2.04Å; C123-C129 PolarHBondContact SG-SG 3.41Å
124	V	97.3	Very high	96	Very high	81 Å²	81	70.4 Å²	70.4	49%	0.491	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-55.9	139.8	174.4	176.9	0	0	0	0	109.6	F115 N126 H127	F115-V124 HydrophobicContact CB-CB 4.17Å; F115-V124 HydrophobicContact CB-CG2 4.26Å; F115-V124 WeakPolarHBondContact O-CG2 3.5Å; F115-V124 PolarHBondContact O-N 3.16Å; V124-N126 PolarHBondContact O-N 3.14Å; V124-H127 WeakPolarHBondContact O-CB 3.46Å; V124-H127 PolarHBondContact O-N 2.98Å
125	V	95.6	Very high	96.1	Very high	117 Å²	117	62.1 Å²	62.1	71%	0.709	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	138.1	178.9	-179.6	0	0	0	0	110.5	C123 H127	C123-V125 PolarHBondContact O-N 3.02Å; V125-H127 PolarHBondContact O-N 3.37Å
126	N	93.8	Very high	96.2	Very high	163 Å²	163	59.4 Å²	59.4	87%	0.872	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	11.3	-176.3	-51.8	-41.6	0	0	0	116	V124	V124-N126 PolarHBondContact O-N 3.14Å
127	H	94.5	Very high	96.3	Very high	86 Å²	86	58.6 Å²	58.6	40%	0.398	31%	0.312	S	S	.	.			trans	-110.8	155.1	168.6	-68.6	-86.2	0	0	0	111.4	F115 C123 V124 V125	F115-H127 HydrophobicContact CB-CB 3.8Å; F115-H127 HydrophobicContact CD1-CB 4.48Å; F115-H127 AromaticContact CD1-CD2 3.71Å; F115-H127 AromaticContact CD1-CE1 3.54Å; F115-H127 AromaticContact CD1-CG 3.67Å; F115-H127 AromaticContact CD1-ND1 3.57Å; F115-H127 AromaticContact CD1-NE2 3.61Å; F115-H127 HydrophobicContact CD2-CB 4.16Å; F115-H127 AromaticContact CD2-CG 3.84Å; F115-H127 AromaticContact CD2-ND1 3.41Å; F115-H127 WeakPolarHBondContact CD2-ND1 3.33Å; F115-H127 AromaticContact CE1-CE1 3.19Å; F115-H127 WeakPolarHBondContact CE1-CE1 3.22Å; F115-H127 AromaticContact CE1-ND1 3.58Å; F115-H127 AromaticContact CE1-NE2 3.54Å; F115-H127 AromaticContact CE2-CE1 3.75Å; F115-H127 AromaticContact CE2-ND1 3.41Å; F115-H127 WeakPolarHBondContact CE2-ND1 3.07Å; F115-H127 HydrophobicContact CG-CB 3.89Å; F115-H127 AromaticContact CG-CE1 3.95Å; F115-H127 AromaticContact CG-CG 3.51Å; F115-H127 AromaticContact CG-ND1 3.48Å; F115-H127 WeakPolarHBondContact CG-ND1 3.33Å; F115-H127 AromaticContact CZ-CE1 3.3Å; F115-H127 WeakPolarHBondContact CZ-CE1 3.38Å; F115-H127 AromaticContact CZ-ND1 3.5Å; C123-H127 PolarHBondContact SG-O 3.44Å; C123-H127 VanDerWaalsContact SG-O 3.34Å; V124-H127 WeakPolarHBondContact O-CB 3.46Å; V124-H127 PolarHBondContact O-N 2.98Å; V125-H127 PolarHBondContact O-N 3.37Å
128	D	93	Very high	96.5	Very high	98 Å²	98	57.3 Å²	57.3	52%	0.524	31%	0.305	S	S	.	.			trans	-110.2	115.9	171.2	-175.8	7.3	0	0	0	110	S130	D128-S130 VanDerWaalsContact CG-OG 3.25Å; D128-S130 WeakPolarHBondContact OD1-CB 3.34Å; D128-S130 PolarHBondContact OD1-N 3Å; D128-S130 PolarHBondContact OD1-OG 3.34Å; D128-S130 PolarHBondContact OD2-OG 2.87Å; D128-S130 VanDerWaalsContact OD2-OG 3.09Å
129	C	96.9	Very high	96.6	Very high	5 Å²	5	62.3 Å²	62.3	3%	0.034	33%	0.332	C	S	.	.			trans	-102.1	-2.4	177.3	-58.6	0	0	0	0	112.3	F115 Y116 C123 M131 Y132 K133	F115-C129 VanDerWaalsContact C-SG 3.58Å; Y116-C129 HydrophobicContact CD2-CB 3.99Å; Y116-C129 HydrophobicContact CG-CB 4.31Å; C123-C129 HydrophobicContact CB-CB 3.69Å; C123-C129 WeakPolarHBondContact CB-SG 3.43Å; C123-C129 WeakPolarHBondContact SG-CB 3.35Å; C123-C129 PolarHBondContact SG-N 2.93Å; C123-C129 CovalentContact SG-SG 2.04Å; C123-C129 PolarHBondContact SG-SG 3.41Å; C129-M131 VanDerWaalsContact C-N 3.32Å; C129-M131 PolarHBondContact O-N 3.25Å; C129-Y132 PolarHBondContact O-N 3.34Å; C129-K133 WeakPolarHBondContact O-CG 3.41Å; C129-K133 PolarHBondContact O-N 3.39Å
130	S	96	Very high	96.8	Very high	66 Å²	66	55.4 Å²	55.4	46%	0.462	30%	0.301	S	S	.	.	H	α-helix	trans	-61.4	-40.4	-174.3	68.4	0	0	0	0	112.1	D128 K133 Q134	D128-S130 VanDerWaalsContact CG-OG 3.25Å; D128-S130 WeakPolarHBondContact OD1-CB 3.34Å; D128-S130 PolarHBondContact OD1-N 3Å; D128-S130 PolarHBondContact OD1-OG 3.34Å; D128-S130 PolarHBondContact OD2-OG 2.87Å; D128-S130 VanDerWaalsContact OD2-OG 3.09Å; S130-K133 PolarHBondContact O-N 3.27Å; S130-Q134 PolarHBondContact O-N 3Å
131	M	96.6	Very high	97	Very high	37 Å²	37	54 Å²	54	18%	0.182	30%	0.296	C	S	.	.	H	α-helix	trans	-64.9	-43.5	178.4	-49.9	-174.4	93.4	0	0	111.3	N95 V96 W109 C129 Q134 L135	N95-M131 HydrophobicContact CB-CE 3.75Å; N95-M131 PolarHBondContact ND2-O 2.74Å; N95-M131 WeakPolarHBondContact OD1-CA 3.42Å; V96-M131 VanDerWaalsContact O-CE 3.29Å; V96-M131 WeakPolarHBondContact O-CE 3.29Å; W109-M131 HydrophobicContact CB-CB 4Å; W109-M131 HydrophobicContact CG-CB 4.16Å; W109-M131 HydrophobicContact CG-CE 4.13Å; W109-M131 HydrophobicContact CG-SD 4.41Å; C129-M131 VanDerWaalsContact C-N 3.32Å; C129-M131 PolarHBondContact O-N 3.25Å; M131-Q134 PolarHBondContact O-N 2.7Å; M131-L135 WeakPolarHBondContact O-CD1 3.36Å; M131-L135 PolarHBondContact O-N 3.47Å
132	Y	97.6	Very high	97.1	Very high	3 Å²	3	52.5 Å²	52.5	1%	0.012	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-47.8	173.6	167.8	-110.9	0	0	0	111.1	R40 W109 S113 Y116 C129 Q134 L135 V136 Y175	R40-Y132 WeakPolarHBondContact CD-OH 3.36Å; W109-Y132 WeakPolarHBondContact O-CA 3.38Å; W109-Y132 WeakPolarHBondContact O-CB 3.41Å; W109-Y132 PolarHBondContact O-N 2.66Å; S113-Y132 VanDerWaalsContact CB-CE2 3.45Å; Y116-Y132 HydrophobicContact CD1-CD1 4.08Å; Y116-Y132 AromaticContact CD1-CE1 3.67Å; Y116-Y132 HydrophobicContact CD1-CE1 3.67Å; Y116-Y132 HydrophobicContact CE1-CE1 4.38Å; Y116-Y132 HydrophobicContact CG-CD1 4.23Å; Y116-Y132 HydrophobicContact CG-CE1 4.25Å; C129-Y132 PolarHBondContact O-N 3.34Å; Y132-Q134 PolarHBondContact O-N 2.8Å; Y132-L135 WeakPolarHBondContact O-CB 3.4Å; Y132-L135 PolarHBondContact O-N 2.97Å; Y132-V136 HydrophobicContact CD1-CG2 4.49Å; Y132-V136 HydrophobicContact CD2-CG1 4.37Å; Y132-V136 HydrophobicContact CE1-CG2 4Å; Y132-V136 HydrophobicContact CE2-CG1 3.69Å; Y132-V136 HydrophobicContact CE2-CG2 4.03Å; Y132-V136 WeakPolarHBondContact O-CG2 2.99Å; Y132-V136 PolarHBondContact O-N 3.35Å; Y132-Y175 PolarHBondContact OH-OH 2.76Å
133	K	98.2	Very high	97.2	Very high	37 Å²	37	47.2 Å²	47.2	16%	0.161	26%	0.263	C	S	.	.	H	α-helix	trans	-57.1	-40.2	178.4	-71.8	175.5	65.6	160.9	0	111	Y116 D121 C129 S130 L135 V136 D137 G172 P174	Y116-K133 HydrophobicContact CD2-CD 4.15Å; Y116-K133 HydrophobicContact CD2-CG 4.38Å; Y116-K133 HydrophobicContact CE2-CD 3.7Å; Y116-K133 HydrophobicContact CE2-CG 4.14Å; D121-K133 IonicContact OD1-NZ 3.93Å; D121-K133 PolarHBondContact OD1-NZ 2.86Å; D121-K133 IonicContact OD2-NZ 3.91Å; C129-K133 WeakPolarHBondContact O-CG 3.41Å; C129-K133 PolarHBondContact O-N 3.39Å; S130-K133 PolarHBondContact O-N 3.27Å; K133-L135 VanDerWaalsContact C-N 3.34Å; K133-L135 PolarHBondContact O-N 3.34Å; K133-V136 PolarHBondContact O-N 3.16Å; K133-D137 WeakPolarHBondContact O-CB 3.41Å; K133-D137 PolarHBondContact O-N 2.77Å; K133-G172 WeakPolarHBondContact CE-O 3.01Å; K133-G172 PolarHBondContact NZ-O 3.23Å; K133-P174 HydrophobicContact CB-CB 4.34Å; K133-P174 HydrophobicContact CB-CG 4.44Å; K133-P174 HydrophobicContact CG-CG 4.21Å
134	Q	98.2	Very high	97.2	Very high	13 Å²	13	44.9 Å²	44.9	6%	0.061	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-37.2	175.3	-176	60.7	82.7	0	0	113.6	S130 M131 Y132 V136 T140 Y165 A169	S130-Q134 PolarHBondContact O-N 3Å; M131-Q134 PolarHBondContact O-N 2.7Å; Y132-Q134 PolarHBondContact O-N 2.8Å; Q134-V136 VanDerWaalsContact C-N 3.28Å; Q134-V136 PolarHBondContact O-N 3.35Å; Q134-T140 PolarHBondContact NE2-OG1 2.87Å; Q134-T140 VanDerWaalsContact NE2-OG1 3.09Å; Q134-Y165 HydrophobicContact CG-CD1 4.2Å; Q134-Y165 HydrophobicContact CG-CD2 3.28Å; Q134-Y165 HydrophobicContact CG-CE1 4.44Å; Q134-Y165 HydrophobicContact CG-CE2 3.57Å; Q134-Y165 HydrophobicContact CG-CG 3.62Å; Q134-A169 HydrophobicContact CB-CB 4.36Å
135	L	98	Very high	97.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-36.9	177.1	-95.4	60	0	0	0	112	V36 R37 F57 N95 W109 R110 M131 Y132 K133	V36-L135 HydrophobicContact CG1-CB 4.47Å; V36-L135 HydrophobicContact CG1-CD2 4.24Å; V36-L135 HydrophobicContact CG2-CD2 4.43Å; R37-L135 WeakPolarHBondContact CD-O 3.38Å; R37-L135 WeakPolarHBondContact CG-O 3.44Å; R37-L135 PolarHBondContact NH1-O 2.8Å; R37-L135 VanDerWaalsContact NH1-O 3.16Å; F57-L135 WeakPolarHBondContact CZ-O 3.2Å; N95-L135 WeakPolarHBondContact ND2-CD1 3.35Å; W109-L135 HydrophobicContact CB-CD1 3.93Å; W109-L135 HydrophobicContact CB-CD2 4.04Å; W109-L135 HydrophobicContact CE3-CD1 4.09Å; R110-L135 HydrophobicContact CB-CD2 4.42Å; M131-L135 WeakPolarHBondContact O-CD1 3.36Å; M131-L135 PolarHBondContact O-N 3.47Å; Y132-L135 WeakPolarHBondContact O-CB 3.4Å; Y132-L135 PolarHBondContact O-N 2.97Å; K133-L135 VanDerWaalsContact C-N 3.34Å; K133-L135 PolarHBondContact O-N 3.34Å
136	V	98.1	Very high	97.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-110.9	4.8	-169.9	-59.1	0	0	0	0	113.8	V36 R40 L54 Y132 K133 Q134 I138 P174 Y175	V36-V136 HydrophobicContact CG1-CG1 3.93Å; R40-V136 HydrophobicContact CG-CB 4.38Å; R40-V136 HydrophobicContact CG-CG1 3.89Å; L54-V136 HydrophobicContact CD1-CB 3.96Å; L54-V136 HydrophobicContact CD1-CG1 4.49Å; L54-V136 WeakPolarHBondContact CD1-O 3.42Å; Y132-V136 HydrophobicContact CD1-CG2 4.49Å; Y132-V136 HydrophobicContact CD2-CG1 4.37Å; Y132-V136 HydrophobicContact CE1-CG2 4Å; Y132-V136 HydrophobicContact CE2-CG1 3.69Å; Y132-V136 HydrophobicContact CE2-CG2 4.03Å; Y132-V136 WeakPolarHBondContact O-CG2 2.99Å; Y132-V136 PolarHBondContact O-N 3.35Å; K133-V136 PolarHBondContact O-N 3.16Å; Q134-V136 VanDerWaalsContact C-N 3.28Å; Q134-V136 PolarHBondContact O-N 3.35Å; V136-I138 PolarHBondContact O-N 2.85Å; V136-P174 HydrophobicContact CG2-CB 3.8Å; V136-P174 HydrophobicContact CG2-CG 3.68Å; V136-Y175 HydrophobicContact CB-CD1 4.14Å; V136-Y175 HydrophobicContact CB-CE1 3.74Å; V136-Y175 HydrophobicContact CG2-CD1 4.05Å; V136-Y175 HydrophobicContact CG2-CE1 3.52Å; V136-Y175 VanDerWaalsContact O-CD1 3.32Å; V136-Y175 WeakPolarHBondContact O-CD1 3.11Å
137	D	98.7	Very high	97.4	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	15%	0.153	C	C	.	.			trans	-60.1	127.2	177	-179	-82.8	0	0	0	111.1	R37 K133 N139 T140 A169 G170 P174	R37-D137 PolarHBondContact NH1-O 3.37Å; R37-D137 PolarHBondContact NH2-O 2.98Å; K133-D137 WeakPolarHBondContact O-CB 3.41Å; K133-D137 PolarHBondContact O-N 2.77Å; D137-N139 VanDerWaalsContact C-N 3.32Å; D137-N139 PolarHBondContact O-N 3.43Å; D137-N139 WeakPolarHBondContact OD1-CA 3.48Å; D137-N139 PolarHBondContact OD1-N 3.33Å; D137-T140 WeakPolarHBondContact CB-OG1 3.44Å; D137-T140 PolarHBondContact OD1-N 3.47Å; D137-T140 PolarHBondContact OD1-OG1 3.05Å; D137-A169 HydrophobicContact CB-CB 3.66Å; D137-A169 WeakPolarHBondContact OD2-CA 3.41Å; D137-G170 PolarHBondContact OD2-N 3.16Å; D137-G170 VanDerWaalsContact OD2-N 3.12Å; D137-P174 CarbonylContact C-O 3.58Å; D137-P174 WeakPolarHBondContact CA-O 3.4Å; D137-P174 HydrophobicContact CB-CB 4.27Å
138	I	98.5	Very high	97.4	Very high	45 Å²	45	27 Å²	27	23%	0.231	15%	0.147	C	C	.	.	S	Bend	trans	-71.6	-28.2	-172.8	-168	163.9	0	0	0	112.9	K52 L54 V136 P174	K52-I138 HydrophobicContact CB-CD1 3.66Å; K52-I138 HydrophobicContact CD-CD1 4.43Å; L54-I138 HydrophobicContact CD2-CB 3.79Å; L54-I138 HydrophobicContact CD2-CD1 4.19Å; L54-I138 HydrophobicContact CD2-CG1 3.84Å; V136-I138 PolarHBondContact O-N 2.85Å; I138-P174 WeakPolarHBondContact CG2-O 3.47Å; I138-P174 PolarHBondContact N-O 2.77Å
139	N	98.2	Very high	97.5	Very high	113 Å²	113	26.3 Å²	26.3	60%	0.604	14%	0.142	S	C	*	.	S	Bend	trans	-85.9	-23.5	-177.5	-62.6	-49.3	0	0	0	111.8	D137 T141 P167	D137-N139 VanDerWaalsContact C-N 3.32Å; D137-N139 PolarHBondContact O-N 3.43Å; D137-N139 WeakPolarHBondContact OD1-CA 3.48Å; D137-N139 PolarHBondContact OD1-N 3.33Å; N139-T141 PolarHBondContact O-N 3.43Å; N139-P167 WeakPolarHBondContact O-CD 3.37Å
140	T	98.8	Very high	97.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.141	C	C	.	.			trans	-67	124.8	172.2	-56.4	0	0	0	0	109.8	R37 F57 Q134 D137 Y165 P167	R37-T140 PolarHBondContact NH2-O 2.95Å; F57-T140 HydrophobicContact CD1-CG2 4.3Å; F57-T140 HydrophobicContact CE1-CG2 3.45Å; F57-T140 VanDerWaalsContact CE1-CG2 3.45Å; F57-T140 WeakPolarHBondContact CE1-O 3.32Å; F57-T140 HydrophobicContact CZ-CG2 3.9Å; Q134-T140 PolarHBondContact NE2-OG1 2.87Å; Q134-T140 VanDerWaalsContact NE2-OG1 3.09Å; D137-T140 WeakPolarHBondContact CB-OG1 3.44Å; D137-T140 PolarHBondContact OD1-N 3.47Å; D137-T140 PolarHBondContact OD1-OG1 3.05Å; T140-Y165 HydrophobicContact CG2-CD1 4.3Å; T140-Y165 HydrophobicContact CG2-CG 4.41Å; T140-P167 PolarHBondContact OG1-O 2.96Å; T140-P167 VanDerWaalsContact OG1-O 3.09Å
141	T	98.6	Very high	97.2	Very high	57 Å²	57	28.1 Å²	28.1	35%	0.35	15%	0.146	S	C	.	.			trans	-124.3	-28.7	-174.1	48.7	0	0	0	0	113.3	F57 I58 N139 A166	F57-T141 CarbonylContact C-O 3.47Å; F57-T141 WeakPolarHBondContact CA-O 3.43Å; I58-T141 PolarHBondContact N-O 3.43Å; N139-T141 PolarHBondContact O-N 3.43Å; T141-A166 PolarHBondContact N-O 3.48Å; T141-A166 PolarHBondContact OG1-O 3.16Å
142	H	98.7	Very high	96.6	Very high	18 Å²	18	33.1 Å²	33.1	8%	0.083	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	149.4	-175.7	-63.2	69.8	0	0	0	111.4	I58 D60 L63 R88 W89 Y165 A166	I58-H142 CarbonylContact O-C 3.59Å; I58-H142 WeakPolarHBondContact O-CA 3.32Å; D60-H142 HydrophobicContact CB-CB 4.09Å; L63-H142 HydrophobicContact CD1-CB 3.94Å; R88-H142 PolarHBondContact NH1-NE2 3.47Å; R88-H142 PolarHBondContact NH2-NE2 3.34Å; W89-H142 AromaticContact CH2-CE1 3.88Å; W89-H142 AromaticContact CH2-ND1 3.73Å; W89-H142 HydrophobicContact CZ2-CB 4.18Å; W89-H142 AromaticContact CZ2-CD2 3.87Å; W89-H142 AromaticContact CZ2-CE1 3.77Å; W89-H142 AromaticContact CZ2-CG 3.62Å; W89-H142 AromaticContact CZ2-ND1 3.55Å; W89-H142 AromaticContact CZ2-NE2 3.94Å; H142-Y165 WeakPolarHBondContact O-CA 3.19Å; H142-A166 PolarHBondContact N-O 3.08Å; H142-A166 PolarHBondContact O-N 2.68Å
143	I	98.7	Very high	95.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	146.8	177	-167.9	178	0	0	0	110.3	L30 H33 F57 I58 W59 D60 C145 C163 N164 Y165	L30-I143 HydrophobicContact CD1-CG2 3.53Å; H33-I143 HydrophobicContact CB-CD1 4.34Å; F57-I143 HydrophobicContact CB-CB 4.08Å; F57-I143 HydrophobicContact CB-CG2 3.54Å; F57-I143 HydrophobicContact CD2-CB 4.1Å; F57-I143 HydrophobicContact CD2-CD1 4.02Å; F57-I143 HydrophobicContact CD2-CG2 4.15Å; F57-I143 HydrophobicContact CE2-CD1 4.35Å; F57-I143 HydrophobicContact CG-CB 4.17Å; F57-I143 HydrophobicContact CG-CG2 4.12Å; I58-I143 PolarHBondContact O-N 2.61Å; W59-I143 CarbonylContact C-O 3.39Å; W59-I143 WeakPolarHBondContact CA-O 3.44Å; W59-I143 HydrophobicContact CE3-CG2 4.45Å; D60-I143 PolarHBondContact N-O 2.95Å; I143-C145 VanDerWaalsContact CD1-SG 3.59Å; I143-C163 HydrophobicContact CD1-CB 4.27Å; I143-C163 HydrophobicContact CG1-CB 4.4Å; I143-N164 CarbonylContact C-O 3.56Å; I143-N164 VanDerWaalsContact CA-O 3.32Å; I143-N164 WeakPolarHBondContact CA-O 3.29Å; I143-Y165 HydrophobicContact CB-CD1 4.34Å; I143-Y165 HydrophobicContact CD1-CD1 4Å; I143-Y165 HydrophobicContact CD1-CE1 3.45Å; I143-Y165 VanDerWaalsContact CD1-CE1 3.45Å; I143-Y165 HydrophobicContact CG1-CD1 3.87Å; I143-Y165 HydrophobicContact CG1-CE1 3.8Å
144	G	98.2	Very high	94.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	134.5	162.9	0	0	0	0	0	109.4	N164	G144-N164 PolarHBondContact N-O 3.24Å; G144-N164 PolarHBondContact O-N 3.05Å
145	C	98.1	Very high	94.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.9	-173.2	-57.1	0	0	0	0	112.8	L29 W59 Y64 I143 V162 C163	L29-C145 HydrophobicContact CB-CB 4.32Å; L29-C145 HydrophobicContact CD1-CB 3.55Å; W59-C145 HydrophobicContact CH2-CB 4.28Å; W59-C145 HydrophobicContact CZ3-CB 4.32Å; Y64-C145 VanDerWaalsContact CD2-O 3.27Å; Y64-C145 WeakPolarHBondContact CD2-O 3.5Å; I143-C145 VanDerWaalsContact CD1-SG 3.59Å; C145-V162 CarbonylContact C-O 3.56Å; C145-V162 WeakPolarHBondContact CA-O 3.4Å; C145-V162 WeakPolarHBondContact CB-O 3.37Å; C145-C163 HydrophobicContact CB-CB 4.11Å; C145-C163 WeakPolarHBondContact CB-SG 3.49Å; C145-C163 WeakPolarHBondContact SG-CB 3.39Å; C145-C163 CovalentContact SG-SG 2.04Å; C145-C163 PolarHBondContact SG-SG 3.02Å
146	G	96.4	Very high	93.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	149.6	172.7	0	0	0	0	0	112.2	V162	G146-V162 PolarHBondContact N-O 2.73Å; G146-V162 PolarHBondContact O-N 3.28Å
147	V	95.8	Very high	93.3	Very high	16 Å²	16	53.7 Å²	53.7	10%	0.097	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	135.2	178.6	179.6	0	0	0	0	109	F25 L29 Q68 V102 Y159 I160 V161	F25-V147 HydrophobicContact CB-CG2 4.27Å; F25-V147 HydrophobicContact CD2-CG1 4.28Å; L29-V147 HydrophobicContact CD1-CG2 3.8Å; Q68-V147 PolarHBondContact NE2-O 3.42Å; Q68-V147 PolarHBondContact OE1-O 2.71Å; V102-V147 HydrophobicContact CG1-CG2 4.09Å; V102-V147 HydrophobicContact CG2-CG1 3.63Å; V147-Y159 HydrophobicContact CG1-CD1 3.63Å; V147-Y159 HydrophobicContact CG1-CE1 4.3Å; V147-Y159 HydrophobicContact CG1-CG 4.43Å; V147-I160 WeakPolarHBondContact CA-O 3.4Å; V147-V161 HydrophobicContact CG1-CG2 4.45Å; V147-V161 HydrophobicContact CG2-CG1 4.26Å; V147-V161 HydrophobicContact CG2-CG2 4.31Å
148	H	94.6	Very high	93.2	Very high	56 Å²	56	56.9 Å²	56.9	26%	0.259	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	130.5	173.8	-168.7	78.3	0	0	0	111.6	A71 E72 C150 Y159 I160	A71-H148 HydrophobicContact CB-CB 3.91Å; A71-H148 WeakPolarHBondContact O-CB 3.44Å; E72-H148 HydrophobicContact CG-CB 4.32Å; H148-C150 PolarHBondContact O-N 2.72Å; H148-Y159 CarbonylContact O-C 3.57Å; H148-Y159 VanDerWaalsContact O-CA 3.28Å; H148-Y159 WeakPolarHBondContact O-CA 3.44Å; H148-I160 PolarHBondContact N-O 2.78Å; H148-I160 PolarHBondContact O-N 3.37Å
149	L	94.2	Very high	93	Very high	82 Å²	82	56.8 Å²	56.8	43%	0.429	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	111.2	171.6	179.5	60.8	0	0	0	109.6	N151 Y159	L149-N151 PolarHBondContact O-N 3.02Å; L149-Y159 HydrophobicContact CB-CD1 3.92Å; L149-Y159 HydrophobicContact CB-CE1 3.72Å; L149-Y159 HydrophobicContact CD1-CD1 4.27Å; L149-Y159 HydrophobicContact CD1-CD2 4.2Å; L149-Y159 HydrophobicContact CD1-CE1 4.19Å; L149-Y159 HydrophobicContact CD1-CE2 4.08Å; L149-Y159 HydrophobicContact CD1-CG 4.3Å; L149-Y159 HydrophobicContact CG-CE1 4.39Å
150	C	94.8	Very high	92.9	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.007	27%	0.271	C	S	.	.			trans	-73.9	128.4	-177.6	-65.3	0	0	0	0	111.4	C74 H148 N155 K156 G157 K158	C74-C150 WeakPolarHBondContact CA-SG 3.17Å; C74-C150 HydrophobicContact CB-CB 3.93Å; C74-C150 WeakPolarHBondContact CB-SG 3.47Å; C74-C150 WeakPolarHBondContact SG-CA 3.48Å; C74-C150 WeakPolarHBondContact SG-CB 3.27Å; C74-C150 CovalentContact SG-SG 2.03Å; C74-C150 PolarHBondContact SG-SG 3.33Å; H148-C150 PolarHBondContact O-N 2.72Å; C150-N155 HydrophobicContact CB-CB 4.02Å; C150-N155 VanDerWaalsContact CB-O 3.27Å; C150-N155 WeakPolarHBondContact CB-O 3.32Å; C150-K156 CarbonylContact O-C 3.55Å; C150-K156 WeakPolarHBondContact O-CA 3.37Å; C150-G157 PolarHBondContact O-N 3.29Å; C150-K158 WeakPolarHBondContact CB-O 3.2Å; C150-K158 PolarHBondContact N-O 2.57Å
151	N	91.4	Very high	92.8	Very high	108 Å²	108	51.4 Å²	51.4	58%	0.578	27%	0.271	S	S	*	.			trans	-105	-1.3	-179.2	62.5	10.6	0	0	0	113.8	L149	L149-N151 PolarHBondContact O-N 3.02Å
152	K	84.3	Confident	92.7	Very high	142 Å²	142	48.7 Å²	48.7	62%	0.617	25%	0.254	S	S	*	.	S	Bend	trans	-138.9	170.7	-175.1	-70.5	172.3	-172.8	-180	0	111.3	K156	K152-K156 PolarHBondContact O-N 3.49Å
153	N	78.6	Confident	92.7	Very high	135 Å²	135	47.9 Å²	47.9	72%	0.722	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	62	-164.7	175	-52.4	-22.1	0	0	0	113.3	N155 K156	N153-N155 PolarHBondContact O-N 3.46Å; N153-K156 PolarHBondContact O-N 2.84Å
154	T	82.5	Confident	92.7	Very high	133 Å²	133	47.9 Å²	47.9	82%	0.816	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-60.1	-15.5	179.1	52.8	0	0	0	0	113.6
155	N	82.4	Confident	92.7	Very high	13 Å²	13	47.9 Å²	47.9	7%	0.07	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-103	9.5	-174	-59.5	-9.6	0	0	0	112.3	C74 Q98 C150 N153 G157 K158	C74-N155 PolarHBondContact O-ND2 3.27Å; Q98-N155 PolarHBondContact OE1-OD1 3.18Å; C150-N155 HydrophobicContact CB-CB 4.02Å; C150-N155 VanDerWaalsContact CB-O 3.27Å; C150-N155 WeakPolarHBondContact CB-O 3.32Å; N153-N155 PolarHBondContact O-N 3.46Å; N155-G157 PolarHBondContact O-N 2.8Å; N155-K158 WeakPolarHBondContact O-CB 3.38Å; N155-K158 PolarHBondContact O-N 2.87Å
156	K	87.4	Confident	92.8	Very high	156 Å²	156	47.9 Å²	47.9	68%	0.678	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	125.5	179.2	-175.9	176.6	-177.8	-176.4	0	111.3	C150 K152 N153 K158	C150-K156 CarbonylContact O-C 3.55Å; C150-K156 WeakPolarHBondContact O-CA 3.37Å; K152-K156 PolarHBondContact O-N 3.49Å; N153-K156 PolarHBondContact O-N 2.84Å; K156-K158 VanDerWaalsContact C-N 3.31Å
157	G	91.2	Very high	92.9	Very high	48 Å²	48	50.1 Å²	50.1	50%	0.495	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	10.2	-178.6	0	0	0	0	0	114.4	C150 N155	C150-G157 PolarHBondContact O-N 3.29Å; N155-G157 PolarHBondContact O-N 2.8Å
158	K	94.8	Very high	93	Very high	72 Å²	72	50.5 Å²	50.5	31%	0.313	27%	0.27	S	S	.	.			trans	-111.7	146.9	171.9	-56.7	-59.1	-174.6	-170.1	0	110.3	Q98 S100 C150 N155 K156	Q98-K158 HydrophobicContact CG-CB 3.72Å; Q98-K158 HydrophobicContact CG-CG 4.08Å; S100-K158 PolarHBondContact OG-NZ 3.36Å; C150-K158 WeakPolarHBondContact CB-O 3.2Å; C150-K158 PolarHBondContact N-O 2.57Å; N155-K158 WeakPolarHBondContact O-CB 3.38Å; N155-K158 PolarHBondContact O-N 2.87Å; K156-K158 VanDerWaalsContact C-N 3.31Å
159	Y	94.8	Very high	93.1	Very high	43 Å²	43	49.3 Å²	49.3	17%	0.169	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	135.4	167.6	-66.4	-87	0	0	0	109.4	F25 Q98 V99 V102 V147 H148 L149	F25-Y159 HydrophobicContact CE2-CE1 4.3Å; Q98-Y159 WeakPolarHBondContact CA-O 3.18Å; V99-Y159 PolarHBondContact N-O 2.86Å; V99-Y159 PolarHBondContact O-N 3.36Å; V102-Y159 HydrophobicContact CG2-CD1 3.87Å; V102-Y159 HydrophobicContact CG2-CD2 4.26Å; V102-Y159 HydrophobicContact CG2-CE1 4.16Å; V102-Y159 HydrophobicContact CG2-CG 3.91Å; V147-Y159 HydrophobicContact CG1-CD1 3.63Å; V147-Y159 HydrophobicContact CG1-CE1 4.3Å; V147-Y159 HydrophobicContact CG1-CG 4.43Å; H148-Y159 CarbonylContact O-C 3.57Å; H148-Y159 VanDerWaalsContact O-CA 3.28Å; H148-Y159 WeakPolarHBondContact O-CA 3.44Å; L149-Y159 HydrophobicContact CB-CD1 3.92Å; L149-Y159 HydrophobicContact CB-CE1 3.72Å; L149-Y159 HydrophobicContact CD1-CD1 4.27Å; L149-Y159 HydrophobicContact CD1-CD2 4.2Å; L149-Y159 HydrophobicContact CD1-CE1 4.19Å; L149-Y159 HydrophobicContact CD1-CE2 4.08Å; L149-Y159 HydrophobicContact CD1-CG 4.3Å; L149-Y159 HydrophobicContact CG-CE1 4.39Å
160	I	95.7	Very high	93.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.2	155.2	-65.6	-56.2	0	0	0	107.5	A71 N76 V96 A97 Q98 V147 H148 V162	A71-I160 HydrophobicContact CB-CG2 4.25Å; N76-I160 HydrophobicContact CB-CD1 4.02Å; V96-I160 HydrophobicContact CG1-CG2 4.12Å; A97-I160 WeakPolarHBondContact O-CA 3.38Å; Q98-I160 HydrophobicContact CB-CD1 3.7Å; Q98-I160 HydrophobicContact CG-CD1 4.04Å; V147-I160 WeakPolarHBondContact CA-O 3.4Å; H148-I160 PolarHBondContact N-O 2.78Å; H148-I160 PolarHBondContact O-N 3.37Å; I160-V162 HydrophobicContact CG2-CG2 3.86Å
161	V	96.7	Very high	93	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.3	175.3	-177.2	0	0	0	0	107.6	L29 V96 A97 V99 V102 A105 W109 V147	L29-V161 HydrophobicContact CD1-CG1 3.94Å; L29-V161 HydrophobicContact CD2-CG1 4.07Å; V96-V161 CarbonylContact C-O 3.59Å; V96-V161 WeakPolarHBondContact CA-O 3.45Å; A97-V161 PolarHBondContact N-O 3.36Å; A97-V161 PolarHBondContact O-N 2.8Å; V99-V161 HydrophobicContact CG2-CG2 3.85Å; V102-V161 HydrophobicContact CB-CG2 4.49Å; V102-V161 HydrophobicContact CG1-CG2 4.16Å; V102-V161 HydrophobicContact CG2-CG2 4.43Å; A105-V161 HydrophobicContact CB-CB 3.8Å; A105-V161 HydrophobicContact CB-CG1 3.85Å; A105-V161 HydrophobicContact CB-CG2 3.94Å; W109-V161 HydrophobicContact CH2-CG1 3.98Å; V147-V161 HydrophobicContact CG1-CG2 4.45Å; V147-V161 HydrophobicContact CG2-CG1 4.26Å; V147-V161 HydrophobicContact CG2-CG2 4.31Å
162	V	97.5	Very high	93.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128	178.4	-177.4	0	0	0	0	107.7	A67 Y70 A71 Q94 N95 V96 C145 G146 I160	A67-V162 HydrophobicContact CB-CB 4.12Å; A67-V162 HydrophobicContact CB-CG1 3.84Å; Y70-V162 HydrophobicContact CD1-CG1 4.25Å; Y70-V162 HydrophobicContact CD1-CG2 3.9Å; A71-V162 HydrophobicContact CB-CB 4.45Å; A71-V162 HydrophobicContact CB-CG2 3.86Å; Q94-V162 HydrophobicContact CG-CG1 3.71Å; N95-V162 WeakPolarHBondContact O-CA 3.33Å; V96-V162 HydrophobicContact CG1-CG2 4.31Å; V96-V162 HydrophobicContact CG2-CG1 4.4Å; V96-V162 HydrophobicContact CG2-CG2 4.3Å; C145-V162 CarbonylContact C-O 3.56Å; C145-V162 WeakPolarHBondContact CA-O 3.4Å; C145-V162 WeakPolarHBondContact CB-O 3.37Å; G146-V162 PolarHBondContact N-O 2.73Å; G146-V162 PolarHBondContact O-N 3.28Å; I160-V162 HydrophobicContact CG2-CG2 3.86Å
163	C	98.4	Very high	93.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.1	168.2	-72.7	0	0	0	0	109	Q94 N95 W109 I143 C145 Y165	Q94-C163 VanDerWaalsContact CA-O 3.3Å; Q94-C163 WeakPolarHBondContact CA-O 3.06Å; N95-C163 PolarHBondContact N-O 3.24Å; N95-C163 PolarHBondContact O-N 3.13Å; W109-C163 HydrophobicContact CH2-CB 3.94Å; W109-C163 HydrophobicContact CZ3-CB 3.95Å; I143-C163 HydrophobicContact CD1-CB 4.27Å; I143-C163 HydrophobicContact CG1-CB 4.4Å; C145-C163 HydrophobicContact CB-CB 4.11Å; C145-C163 WeakPolarHBondContact CB-SG 3.49Å; C145-C163 WeakPolarHBondContact SG-CB 3.39Å; C145-C163 CovalentContact SG-SG 2.04Å; C145-C163 PolarHBondContact SG-SG 3.02Å; C163-Y165 HydrophobicContact CB-CE1 4.33Å; C163-Y165 HydrophobicContact CB-CE2 3.83Å; C163-Y165 WeakPolarHBondContact CB-OH 3.31Å; C163-Y165 WeakPolarHBondContact O-CD2 3.46Å; C163-Y165 WeakPolarHBondContact O-CE2 3.44Å
164	N	98.8	Very high	94.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	138.7	173.1	-76.6	-15.4	0	0	0	109.4	L63 T66 A67 V92 G93 Q94 I143 G144	L63-N164 HydrophobicContact CB-CB 4.02Å; L63-N164 HydrophobicContact CD2-CB 4.09Å; L63-N164 PolarHBondContact O-ND2 3.26Å; T66-N164 PolarHBondContact OG1-ND2 3.01Å; A67-N164 HydrophobicContact CB-CB 4.32Å; A67-N164 PolarHBondContact N-ND2 2.72Å; V92-N164 HydrophobicContact CG1-CB 3.72Å; G93-N164 CarbonylContact O-C 3.55Å; G93-N164 VanDerWaalsContact O-CA 3.3Å; G93-N164 WeakPolarHBondContact O-CA 3.39Å; Q94-N164 VanDerWaalsContact CG-OD1 3.26Å; Q94-N164 WeakPolarHBondContact CG-OD1 3.32Å; Q94-N164 PolarHBondContact NE2-OD1 3.08Å; I143-N164 CarbonylContact C-O 3.56Å; I143-N164 VanDerWaalsContact CA-O 3.32Å; I143-N164 WeakPolarHBondContact CA-O 3.29Å; G144-N164 PolarHBondContact N-O 3.24Å; G144-N164 PolarHBondContact O-N 3.05Å
165	Y	98.8	Very high	95.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.9	-173.6	-54.5	-91.1	0	0	0	110.3	H33 F57 V92 G93 N95 Q134 T140 H142 I143 C163	H33-Y165 AromaticContact CD2-CE1 3.7Å; H33-Y165 AromaticContact NE2-CE1 3.74Å; H33-Y165 AromaticContact NE2-CZ 3.66Å; H33-Y165 PolarHBondContact NE2-OH 3.01Å; F57-Y165 HydrophobicContact CE2-CD1 4.04Å; F57-Y165 AromaticContact CE2-CE1 3.95Å; F57-Y165 HydrophobicContact CE2-CE1 3.95Å; F57-Y165 HydrophobicContact CZ-CD1 4.06Å; F57-Y165 HydrophobicContact CZ-CE1 4.34Å; V92-Y165 CarbonylContact C-O 3.55Å; V92-Y165 VanDerWaalsContact CA-O 3.26Å; V92-Y165 WeakPolarHBondContact CA-O 3.27Å; G93-Y165 PolarHBondContact N-O 3.4Å; G93-Y165 PolarHBondContact O-N 2.96Å; N95-Y165 HydrophobicContact CB-CE2 3.84Å; N95-Y165 PolarHBondContact ND2-OH 2.93Å; Q134-Y165 HydrophobicContact CG-CD1 4.2Å; Q134-Y165 HydrophobicContact CG-CD2 3.28Å; Q134-Y165 HydrophobicContact CG-CE1 4.44Å; Q134-Y165 HydrophobicContact CG-CE2 3.57Å; Q134-Y165 HydrophobicContact CG-CG 3.62Å; T140-Y165 HydrophobicContact CG2-CD1 4.3Å; T140-Y165 HydrophobicContact CG2-CG 4.41Å; H142-Y165 WeakPolarHBondContact O-CA 3.19Å; I143-Y165 HydrophobicContact CB-CD1 4.34Å; I143-Y165 HydrophobicContact CD1-CD1 4Å; I143-Y165 HydrophobicContact CD1-CE1 3.45Å; I143-Y165 VanDerWaalsContact CD1-CE1 3.45Å; I143-Y165 HydrophobicContact CG1-CD1 3.87Å; I143-Y165 HydrophobicContact CG1-CE1 3.8Å; C163-Y165 HydrophobicContact CB-CE1 4.33Å; C163-Y165 HydrophobicContact CB-CE2 3.83Å; C163-Y165 WeakPolarHBondContact CB-OH 3.31Å; C163-Y165 WeakPolarHBondContact O-CD2 3.46Å; C163-Y165 WeakPolarHBondContact O-CE2 3.44Å
166	A	98.8	Very high	96.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.8	177.1	0	0	0	0	0	113.5	L63 W89 T141 H142	L63-A166 HydrophobicContact CD1-CB 3.75Å; L63-A166 HydrophobicContact CD2-CB 4.09Å; L63-A166 HydrophobicContact CG-CB 4.47Å; W89-A166 HydrophobicContact CB-CB 3.85Å; W89-A166 HydrophobicContact CD2-CB 3.38Å; W89-A166 HydrophobicContact CE3-CB 3.76Å; W89-A166 HydrophobicContact CG-CB 3.43Å; W89-A166 VanDerWaalsContact CG-CB 3.43Å; W89-A166 HydrophobicContact CZ2-CB 4.45Å; W89-A166 HydrophobicContact CZ3-CB 4.43Å; T141-A166 PolarHBondContact N-O 3.48Å; T141-A166 PolarHBondContact OG1-O 3.16Å; H142-A166 PolarHBondContact N-O 3.08Å; H142-A166 PolarHBondContact O-N 2.68Å
167	P	98.5	Very high	96.6	Very high	48 Å²	48	39.3 Å²	39.3	31%	0.312	22%	0.223	S	C	.	.	S	Bend	cis	-56.9	162.9	-16.9	-22.6	35.1	0	0	0	112.5	S91 N139 T140	S91-P167 WeakPolarHBondContact O-CA 3.07Å; N139-P167 WeakPolarHBondContact O-CD 3.37Å; T140-P167 PolarHBondContact OG1-O 2.96Å; T140-P167 VanDerWaalsContact OG1-O 3.09Å
168	A	98.3	Very high	96.8	Very high	24 Å²	24	37 Å²	37	20%	0.198	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-58.8	148.1	169.1	0	0	0	0	0	110.3	S91 G93	S91-A168 PolarHBondContact O-N 3.26Å; S91-A168 VanDerWaalsContact O-N 3.13Å; S91-A168 VanDerWaalsContact OG-CB 3.25Å; S91-A168 WeakPolarHBondContact OG-CB 3.22Å; S91-A168 PolarHBondContact OG-N 3.24Å; G93-A168 VanDerWaalsContact N-CB 3.31Å
169	A	97.7	Very high	96.7	Very high	30 Å²	30	37 Å²	37	25%	0.248	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-57.9	144.6	174.6	0	0	0	0	0	111.8	Q134 D137	Q134-A169 HydrophobicContact CB-CB 4.36Å; D137-A169 HydrophobicContact CB-CB 3.66Å; D137-A169 WeakPolarHBondContact OD2-CA 3.41Å
170	G	95	Very high	96.5	Very high	45 Å²	45	41.4 Å²	41.4	46%	0.464	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-70.4	167.8	179.1	0	0	0	0	0	113	D137	D137-G170 PolarHBondContact OD2-N 3.16Å; D137-G170 VanDerWaalsContact OD2-N 3.12Å
171	K	92.2	Very high	96.3	Very high	221 Å²	221	43.4 Å²	43.4	96%	0.961	25%	0.249	S	C	*	.	S	Bend	trans	-74.1	145.2	157.1	-62.2	-175.3	-178.1	-177.5	0	107.7
172	G	96.2	Very high	96.2	Very high	28 Å²	28	47.3 Å²	47.3	29%	0.289	26%	0.263	S	S	.	.	S	Bend	trans	102	-169.5	-176.6	0	0	0	0	0	113.1	D121 K133	D121-G172 VanDerWaalsContact CG-C 3.49Å; D121-G172 WeakPolarHBondContact OD2-CA 3.43Å; K133-G172 WeakPolarHBondContact CE-O 3.01Å; K133-G172 PolarHBondContact NZ-O 3.23Å
173	R	97.9	Very high	95.9	Very high	120 Å²	120	48.1 Å²	48.1	45%	0.453	27%	0.269	S	S	.	.			trans	-60.7	141	176	-62.1	-176.8	-174.6	99.8	7.1	110.5	L118 K119 D121 Y175	L118-R173 HydrophobicContact CD1-CB 4.04Å; L118-R173 HydrophobicContact CD1-CG 4.15Å; L118-R173 WeakPolarHBondContact O-CD 3.25Å; L118-R173 PolarHBondContact O-NE 3.12Å; K119-R173 PolarHBondContact O-NH2 3.09Å; D121-R173 HydrophobicContact CB-CG 3.77Å; D121-R173 PolarHBondContact OD2-N 3.08Å; R173-Y175 WeakPolarHBondContact CB-O 3.25Å; R173-Y175 PolarHBondContact O-N 3.12Å
174	P	98.1	Very high	95.4	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.019	30%	0.301	C	S	.	.	S	Bend	trans	-70.4	-19.9	176	29.6	-34	0	0	0	112.5	Y116 K133 V136 D137 I138	Y116-P174 HydrophobicContact CE1-CG 4.33Å; Y116-P174 WeakPolarHBondContact OH-CD 3.46Å; K133-P174 HydrophobicContact CB-CB 4.34Å; K133-P174 HydrophobicContact CB-CG 4.44Å; K133-P174 HydrophobicContact CG-CG 4.21Å; V136-P174 HydrophobicContact CG2-CB 3.8Å; V136-P174 HydrophobicContact CG2-CG 3.68Å; D137-P174 CarbonylContact C-O 3.58Å; D137-P174 WeakPolarHBondContact CA-O 3.4Å; D137-P174 HydrophobicContact CB-CB 4.27Å; I138-P174 WeakPolarHBondContact CG2-O 3.47Å; I138-P174 PolarHBondContact N-O 2.77Å
175	Y	97.9	Very high	94.1	Very high	3 Å²	3	67.2 Å²	67.2	1%	0.012	36%	0.356	C	S	.	.	S	Bend	trans	-162.2	166.1	175.8	52.3	-95.1	0	0	0	110.2	R40 S48 S50 L54 L118 Y132 V136 R173	R40-Y175 VanDerWaalsContact CD-OH 3.27Å; R40-Y175 WeakPolarHBondContact CD-OH 3.21Å; R40-Y175 HydrophobicContact CG-CE1 4.25Å; S48-Y175 PolarHBondContact OG-OH 3.12Å; S50-Y175 VanDerWaalsContact CA-CD2 3.45Å; S50-Y175 VanDerWaalsContact CB-CD2 3.49Å; S50-Y175 WeakPolarHBondContact OG-CB 3.38Å; L54-Y175 HydrophobicContact CD1-CD1 4.2Å; L54-Y175 HydrophobicContact CD1-CE1 4.42Å; L54-Y175 HydrophobicContact CD2-CD1 4.3Å; L54-Y175 HydrophobicContact CD2-CG 4.4Å; L118-Y175 HydrophobicContact CD1-CD2 4.24Å; L118-Y175 HydrophobicContact CD1-CE2 4.07Å; L118-Y175 WeakPolarHBondContact CD1-O 3.42Å; L118-Y175 HydrophobicContact CD2-CD2 3.87Å; L118-Y175 HydrophobicContact CD2-CE2 3.32Å; L118-Y175 HydrophobicContact CG-CE2 4.34Å; Y132-Y175 PolarHBondContact OH-OH 2.76Å; V136-Y175 HydrophobicContact CB-CD1 4.14Å; V136-Y175 HydrophobicContact CB-CE1 3.74Å; V136-Y175 HydrophobicContact CG2-CD1 4.05Å; V136-Y175 HydrophobicContact CG2-CE1 3.52Å; V136-Y175 VanDerWaalsContact O-CD1 3.32Å; V136-Y175 WeakPolarHBondContact O-CD1 3.11Å; R173-Y175 WeakPolarHBondContact CB-O 3.25Å; R173-Y175 PolarHBondContact O-N 3.12Å
176	D	96.9	Very high	93.9	Very high	86 Å²	86	70.6 Å²	70.6	46%	0.46	37%	0.373	S	S	.	.			trans	-81.1	144.2	176.4	-62.3	-44.2	0	0	0	111.7	S50 E51 G178	S50-D176 CarbonylContact C-O 3.5Å; E51-D176 HydrophobicContact CB-CB 4.03Å; E51-D176 PolarHBondContact N-O 3.48Å; D176-G178 PolarHBondContact O-N 2.89Å
177	D	95	Very high	93.6	Very high	55 Å²	55	74.3 Å²	74.3	29%	0.294	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-71	116.8	-178.4	-175	-3.6	0	0	0	111.3	L118 T179	L118-D177 HydrophobicContact CD2-CB 3.87Å; L118-D177 HydrophobicContact CG-CB 4.49Å; D177-T179 VanDerWaalsContact C-N 3.31Å; D177-T179 PolarHBondContact O-N 3.43Å; D177-T179 VanDerWaalsContact OD1-CB 3.25Å; D177-T179 WeakPolarHBondContact OD1-CB 3.27Å; D177-T179 PolarHBondContact OD1-N 2.88Å; D177-T179 PolarHBondContact OD1-OG1 3.06Å
178	G	94.8	Very high	93.4	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-80	-5.6	-178.9	0	0	0	0	0	115.1	T49 E51 D176 N180 A181 R182 C183	T49-G178 PolarHBondContact O-N 3.17Å; E51-G178 VanDerWaalsContact CA-CA 3.43Å; D176-G178 PolarHBondContact O-N 2.89Å; G178-N180 VanDerWaalsContact C-N 3.28Å; G178-N180 PolarHBondContact O-N 2.7Å; G178-A181 CarbonylContact O-C 3.59Å; G178-A181 PolarHBondContact O-N 2.82Å; G178-R182 PolarHBondContact O-N 3.27Å; G178-C183 WeakPolarHBondContact O-CB 3.05Å; G178-C183 PolarHBondContact O-N 2.9Å
179	T	92	Very high	93.1	Very high	71 Å²	71	78.8 Å²	78.8	44%	0.436	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-54.1	-42.5	-175.9	-59.1	0	0	0	0	112.8	D177 C183 K184	D177-T179 VanDerWaalsContact C-N 3.31Å; D177-T179 PolarHBondContact O-N 3.43Å; D177-T179 VanDerWaalsContact OD1-CB 3.25Å; D177-T179 WeakPolarHBondContact OD1-CB 3.27Å; D177-T179 PolarHBondContact OD1-N 2.88Å; D177-T179 PolarHBondContact OD1-OG1 3.06Å; T179-C183 CarbonylContact O-C 3.47Å; T179-K184 WeakPolarHBondContact O-CA 3.24Å; T179-K184 PolarHBondContact O-N 3.35Å
180	N	90.5	Very high	92.8	Very high	135 Å²	135	81.8 Å²	81.8	72%	0.722	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-97.5	9	-179	-66.2	-44.7	0	0	0	113.7	G178	G178-N180 VanDerWaalsContact C-N 3.28Å; G178-N180 PolarHBondContact O-N 2.7Å
181	A	92.8	Very high	92.6	Very high	43 Å²	43	84.3 Å²	84.3	36%	0.355	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-105.7	-176.7	0	0	0	0	0	110.3	E51 G178 C183 K184	E51-A181 HydrophobicContact CG-CB 3.73Å; G178-A181 CarbonylContact O-C 3.59Å; G178-A181 PolarHBondContact O-N 2.82Å; A181-C183 PolarHBondContact O-N 3.43Å; A181-K184 VanDerWaalsContact O-CB 3.24Å; A181-K184 WeakPolarHBondContact O-CB 3.39Å; A181-K184 PolarHBondContact O-N 3.07Å
182	R	93.8	Very high	92.7	Very high	81 Å²	81	74.5 Å²	74.5	31%	0.306	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-30.3	-177.8	-177.3	-179.9	63.3	82.7	-1.4	114	R40 N41 C43 T49 S50 E51 G178	R40-R182 PolarHBondContact O-NH2 2.99Å; N41-R182 VanDerWaalsContact O-CZ 3.32Å; N41-R182 PolarHBondContact O-NH1 3.01Å; N41-R182 PolarHBondContact O-NH2 3.06Å; N41-R182 VanDerWaalsContact O-NH2 3.12Å; C43-R182 PolarHBondContact SG-NH1 2.04Å; C43-R182 VanDerWaalsContact SG-NH1 3.43Å; T49-R182 PolarHBondContact OG1-NH2 3.01Å; S50-R182 PolarHBondContact O-NE 3.05Å; S50-R182 PolarHBondContact O-NH2 3.23Å; E51-R182 WeakPolarHBondContact O-CB 3.43Å; E51-R182 WeakPolarHBondContact O-CD 3.3Å; E51-R182 PolarHBondContact O-NE 2.92Å; G178-R182 PolarHBondContact O-N 3.27Å
183	C	91.4	Very high	92.4	Very high	18 Å²	18	78.1 Å²	78.1	12%	0.122	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	16.4	-178.4	-61.8	0	0	0	0	113	C43 T49 G178 T179 A181 Q185	C43-C183 WeakPolarHBondContact CA-SG 3.35Å; C43-C183 HydrophobicContact CB-CB 3.59Å; C43-C183 WeakPolarHBondContact CB-SG 3.49Å; C43-C183 WeakPolarHBondContact SG-CA 3.05Å; C43-C183 WeakPolarHBondContact SG-CB 3.4Å; C43-C183 CovalentContact SG-SG 2.04Å; C43-C183 PolarHBondContact SG-SG 2.99Å; T49-C183 HydrophobicContact CG2-CB 3.86Å; T49-C183 VanDerWaalsContact CG2-SG 3.55Å; T49-C183 PolarHBondContact OG1-SG 3.47Å; G178-C183 WeakPolarHBondContact O-CB 3.05Å; G178-C183 PolarHBondContact O-N 2.9Å; T179-C183 CarbonylContact O-C 3.47Å; A181-C183 PolarHBondContact O-N 3.43Å; C183-Q185 PolarHBondContact O-N 3.31Å
184	K	87.4	Confident	92	Very high	154 Å²	154	74.6 Å²	74.6	67%	0.67	38%	0.379	S	S	*	.			trans	-64.5	118.5	172.8	-171.7	177.3	-179.7	-178.9	0	108.6	T179 A181	T179-K184 WeakPolarHBondContact O-CA 3.24Å; T179-K184 PolarHBondContact O-N 3.35Å; A181-K184 VanDerWaalsContact O-CB 3.24Å; A181-K184 WeakPolarHBondContact O-CB 3.39Å; A181-K184 PolarHBondContact O-N 3.07Å
185	Q	72.8	Confident	91.4	Very high	246 Å²	246	81.1 Å²	81.1	100%	1.15	41%	0.411	S	S	*	.			trans	-77.2	0	172	-64.8	-178.7	2.4	0	0	110.6	C183	C183-Q185 PolarHBondContact O-N 3.31Å

Retrieved 185 of 185 residues in 819.4 ms (Link to these results)

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