A0A3Q0KQC2_SCHMA Loading...

Peptidase_M13 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQC2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 160 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	35.5	Very low	31.6	Very low	207 Å²	207	120.8 Å²	120.8	100%	1.02	66%	0.658	S	S	*	*				0	96.7	0	-78.7	167.7	59.3	0	0	107.8	Q5	M1-Q5 VanDerWaalsContact CG-OE1 3.3Å
2	T	29.7	Very low	31.5	Very low	109 Å²	109	122.1 Å²	122.1	67%	0.669	67%	0.672	S	S	*	*			trans	-73.1	143	-172.8	34.1	0	0	0	0	110.3	I4 Q5	T2-I4 PolarHBondContact O-N 2.97Å; T2-Q5 PolarHBondContact O-N 3.09Å
3	V	32.2	Very low	31.7	Very low	124 Å²	124	118.8 Å²	118.8	75%	0.752	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-31.7	-24.6	-176.2	177.8	0	0	0	0	116.9	Q5 V6 M7	V3-Q5 VanDerWaalsContact C-N 3.35Å; V3-Q5 PolarHBondContact O-N 2.81Å; V3-V6 PolarHBondContact O-N 3.42Å; V3-M7 PolarHBondContact O-N 3.48Å
4	I	33.5	Very low	32.3	Very low	125 Å²	125	119.9 Å²	119.9	64%	0.641	67%	0.674	S	S	*	*	H	α-helix	trans	-60.1	-37.2	176	-58.1	173.1	0	0	0	112.4	T2 V6 M7 V8	T2-I4 PolarHBondContact O-N 2.97Å; I4-V6 PolarHBondContact O-N 3.1Å; I4-M7 PolarHBondContact O-N 3.49Å; I4-V8 PolarHBondContact O-N 2.73Å
5	Q	30.2	Very low	32.8	Very low	110 Å²	110	121.7 Å²	121.7	51%	0.514	67%	0.672	S	S	.	*	H	α-helix	trans	-70	-32.5	-179.3	-87.7	-179.6	-47.5	0	0	113.7	M1 T2 V3	M1-Q5 VanDerWaalsContact CG-OE1 3.3Å; T2-Q5 PolarHBondContact O-N 3.09Å; V3-Q5 VanDerWaalsContact C-N 3.35Å; V3-Q5 PolarHBondContact O-N 2.81Å
6	V	31.4	Very low	33.7	Very low	108 Å²	108	115.7 Å²	115.7	66%	0.655	64%	0.641	S	S	*	*	H	α-helix	trans	-74.1	-33.1	178.1	179.9	0	0	0	0	110.5	V3 I4 V8 L9 T10	V3-V6 PolarHBondContact O-N 3.42Å; I4-V6 PolarHBondContact O-N 3.1Å; V6-V8 PolarHBondContact O-N 3.29Å; V6-L9 PolarHBondContact O-N 3.35Å; V6-T10 PolarHBondContact O-OG1 2.9Å
7	M	29.4	Very low	34.1	Very low	129 Å²	129	113.9 Å²	113.9	64%	0.635	63%	0.634	S	S	*	*	H	α-helix	trans	-70.7	-30.3	-178.5	-150.6	175	171.1	0	0	112.9	V3 I4 I11	V3-M7 PolarHBondContact O-N 3.48Å; I4-M7 PolarHBondContact O-N 3.49Å; M7-I11 VanDerWaalsContact O-CD1 3.23Å; M7-I11 WeakPolarHBondContact O-CD1 3.3Å; M7-I11 WeakPolarHBondContact O-CG1 3.4Å
8	V	30.8	Very low	34.7	Very low	102 Å²	102	111.3 Å²	111.3	62%	0.618	62%	0.617	S	S	*	*	H	α-helix	trans	-75.5	-29.4	176.2	176.6	0	0	0	0	111.9	I4 V6	I4-V8 PolarHBondContact O-N 2.73Å; V6-V8 PolarHBondContact O-N 3.29Å
9	L	27	Very low	34.8	Very low	147 Å²	147	110.1 Å²	110.1	77%	0.77	61%	0.613	S	S	*	*	H	α-helix	trans	-79.4	-18.2	-175.8	-123.4	91.8	0	0	0	114.5	V6	V6-L9 PolarHBondContact O-N 3.35Å
10	T	32.1	Very low	34.9	Very low	102 Å²	102	109.8 Å²	109.8	63%	0.626	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	0.7	-178	-8.4	0	0	0	0	114.2	V6 V12	V6-T10 PolarHBondContact O-OG1 2.9Å; T10-V12 VanDerWaalsContact C-N 3.3Å; T10-V12 PolarHBondContact O-N 3.37Å
11	I	36.3	Very low	35.1	Very low	66 Å²	66	115.9 Å²	115.9	34%	0.338	62%	0.624	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.2	36.5	-173.6	-55.8	173.4	0	0	0	111.1	M7 L29	M7-I11 VanDerWaalsContact O-CD1 3.23Å; M7-I11 WeakPolarHBondContact O-CD1 3.3Å; M7-I11 WeakPolarHBondContact O-CG1 3.4Å; I11-L29 HydrophobicContact CG2-CD1 3.5Å; I11-L29 HydrophobicContact CG2-CD2 3.49Å; I11-L29 VanDerWaalsContact CG2-CD2 3.49Å; I11-L29 HydrophobicContact CG2-CG 3.48Å; I11-L29 VanDerWaalsContact CG2-CG 3.48Å
12	V	30.4	Very low	35.5	Very low	136 Å²	136	113.9 Å²	113.9	82%	0.824	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.9	5.2	177.6	-174.6	0	0	0	0	112.3	T10	T10-V12 VanDerWaalsContact C-N 3.3Å; T10-V12 PolarHBondContact O-N 3.37Å
13	S	33.4	Very low	35.8	Very low	80 Å²	80	112.9 Å²	112.9	56%	0.559	61%	0.611	S	S	*	*	S	Bend	trans	-117.5	132.8	175	-173	0	0	0	0	111.1	K15	S13-K15 PolarHBondContact O-N 2.83Å
14	T	40	Very low	36.3	Very low	133 Å²	133	113.2 Å²	113.2	82%	0.816	61%	0.608	S	S	*	*	S	Bend	trans	-62.9	1.6	-159.2	32.1	0	0	0	0	117.4
15	K	40.3	Very low	37.1	Very low	148 Å²	148	109.9 Å²	109.9	64%	0.643	59%	0.593	S	S	*	*			trans	-151.8	127.7	165.5	-69.4	-172.7	179.1	174	0	109	S13	S13-K15 PolarHBondContact O-N 2.83Å
16	S	47	Very low	38.1	Very low	25 Å²	25	108.3 Å²	108.3	18%	0.175	59%	0.591	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.9	110.9	175.3	-51.5	0	0	0	0	109.1	I18 Y27	S16-I18 PolarHBondContact O-N 3.46Å; S16-Y27 PolarHBondContact N-O 2.86Å; S16-Y27 PolarHBondContact O-N 3.49Å
17	V	40.7	Very low	39	Very low	86 Å²	86	104.4 Å²	104.4	52%	0.521	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.4	115.9	172.4	-179.7	0	0	0	0	108	V19 L24 T26	V17-V19 HydrophobicContact CG1-CG2 4.48Å; V17-L24 HydrophobicContact CG1-CD2 3.55Å; V17-L24 HydrophobicContact CG1-CG 4.26Å; V17-T26 HydrophobicContact CG2-CG2 4.35Å
18	I	44.8	Very low	40.1	Very low	66 Å²	66	100.6 Å²	100.6	34%	0.338	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.1	175.9	-57.7	174.5	0	0	0	107.5	S16 L20 V25 Y27 I32	S16-I18 PolarHBondContact O-N 3.46Å; I18-L20 HydrophobicContact CG2-CD1 4.38Å; I18-L20 HydrophobicContact CG2-CG 4.47Å; I18-V25 VanDerWaalsContact O-O 3.08Å; I18-Y27 HydrophobicContact CB-CD2 4.43Å; I18-I32 HydrophobicContact CD1-CD1 3.9Å
19	V	36.4	Very low	41.1	Very low	89 Å²	89	98.3 Å²	98.3	54%	0.539	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	117.3	177.9	-176	0	0	0	0	109	V17 L24	V17-V19 HydrophobicContact CG1-CG2 4.48Å; V19-L24 HydrophobicContact CG2-CG 4.34Å
20	L	37.6	Very low	42.7	Very low	103 Å²	103	98.7 Å²	98.7	54%	0.539	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.4	174.6	-89.1	156.7	0	0	0	108.7	I18 N22 T23	I18-L20 HydrophobicContact CG2-CD1 4.38Å; I18-L20 HydrophobicContact CG2-CG 4.47Å; L20-N22 PolarHBondContact O-N 3.17Å; L20-T23 PolarHBondContact N-O 3.1Å; L20-T23 PolarHBondContact O-N 3.01Å; L20-T23 PolarHBondContact O-OG1 3.32Å
21	R	39.3	Very low	44.2	Very low	239 Å²	239	98.5 Å²	98.5	90%	0.902	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	58	175.9	-66.4	-172.3	179	-159.6	0.6	113.8	T23	R21-T23 PolarHBondContact O-N 3.37Å
22	N	42.5	Very low	45.6	Very low	165 Å²	165	97 Å²	97	88%	0.882	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	4.6	176.3	-61.6	-4.8	0	0	0	116.4	L20	L20-N22 PolarHBondContact O-N 3.17Å
23	T	36.2	Very low	47.3	Very low	88 Å²	88	94.3 Å²	94.3	54%	0.54	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.3	168.2	23.2	0	0	0	0	110.1	L20 R21 V25	L20-T23 PolarHBondContact N-O 3.1Å; L20-T23 PolarHBondContact O-N 3.01Å; L20-T23 PolarHBondContact O-OG1 3.32Å; R21-T23 PolarHBondContact O-N 3.37Å; T23-V25 PolarHBondContact O-N 3.04Å; T23-V25 VanDerWaalsContact O-N 3.17Å
24	L	43.8	Very low	49	Very low	131 Å²	131	96.3 Å²	96.3	69%	0.686	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	96.4	174.5	-134.4	138.9	0	0	0	107.3	V17 V19	V17-L24 HydrophobicContact CG1-CD2 3.55Å; V17-L24 HydrophobicContact CG1-CG 4.26Å; V19-L24 HydrophobicContact CG2-CG 4.34Å
25	V	50.4	Low	50.4	Low	54 Å²	54	96.8 Å²	96.8	33%	0.327	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	111	176.5	-173.2	0	0	0	0	107.8	I18 T23 Y27	I18-V25 VanDerWaalsContact O-O 3.08Å; T23-V25 PolarHBondContact O-N 3.04Å; T23-V25 VanDerWaalsContact O-N 3.17Å; V25-Y27 HydrophobicContact CB-CD2 4.25Å; V25-Y27 HydrophobicContact CB-CE2 3.78Å; V25-Y27 HydrophobicContact CG1-CD2 3.85Å; V25-Y27 HydrophobicContact CG1-CE2 3.34Å; V25-Y27 PolarHBondContact O-N 3.41Å
26	T	49.6	Very low	51.7	Low	77 Å²	77	93.3 Å²	93.3	47%	0.472	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	111.6	175.1	-37.2	0	0	0	0	108.2	V17	V17-T26 HydrophobicContact CG2-CG2 4.35Å
27	Y	51	Low	52.8	Low	27 Å²	27	93.6 Å²	93.6	11%	0.106	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	129.6	171.1	-77.2	-86.5	0	0	0	109	S16 I18 V25 M31 I32 R35	S16-Y27 PolarHBondContact N-O 2.86Å; S16-Y27 PolarHBondContact O-N 3.49Å; I18-Y27 HydrophobicContact CB-CD2 4.43Å; V25-Y27 HydrophobicContact CB-CD2 4.25Å; V25-Y27 HydrophobicContact CB-CE2 3.78Å; V25-Y27 HydrophobicContact CG1-CD2 3.85Å; V25-Y27 HydrophobicContact CG1-CE2 3.34Å; V25-Y27 PolarHBondContact O-N 3.41Å; Y27-M31 HydrophobicContact CD1-CB 3.85Å; Y27-M31 HydrophobicContact CD1-SD 4.23Å; Y27-I32 HydrophobicContact CG-CG1 4.41Å; Y27-R35 PolarHBondContact OH-NH1 2.84Å; Y27-R35 PolarHBondContact OH-NH2 2.82Å; Y27-R35 VanDerWaalsContact OH-NH2 3.15Å
28	T	53	Low	54.4	Low	49 Å²	49	95.4 Å²	95.4	30%	0.301	47%	0.467	S	S	.	.			trans	-75.7	156.3	161.6	62.7	0	0	0	0	109	E30 M31 I32	T28-E30 PolarHBondContact O-N 3.39Å; T28-M31 WeakPolarHBondContact O-CB 3.13Å; T28-M31 PolarHBondContact O-N 2.84Å; T28-M31 WeakPolarHBondContact OG1-CG 3.47Å; T28-M31 PolarHBondContact OG1-N 2.99Å; T28-I32 PolarHBondContact O-N 3.33Å
29	L	52.5	Low	55.6	Low	53 Å²	53	98.5 Å²	98.5	28%	0.277	48%	0.475	S	S	.	.	H	α-helix	trans	-56.6	-38.7	177.7	-139.9	149.9	0	0	0	111	I11 M31 I32 I33	I11-L29 HydrophobicContact CG2-CD1 3.5Å; I11-L29 HydrophobicContact CG2-CD2 3.49Å; I11-L29 VanDerWaalsContact CG2-CD2 3.49Å; I11-L29 HydrophobicContact CG2-CG 3.48Å; I11-L29 VanDerWaalsContact CG2-CG 3.48Å; L29-M31 PolarHBondContact O-N 3.18Å; L29-I32 PolarHBondContact O-N 3.34Å; L29-I33 HydrophobicContact CD2-CD1 3.72Å; L29-I33 HydrophobicContact CD2-CG1 4.37Å; L29-I33 WeakPolarHBondContact O-CG1 3.45Å; L29-I33 PolarHBondContact O-N 3.11Å
30	E	59.9	Low	57	Low	156 Å²	156	97.7 Å²	97.7	73%	0.729	48%	0.478	S	S	*	.	H	α-helix	trans	-58.9	-43.9	172.1	-69.7	178.3	156.7	0	0	112.8	T28 I32 I33 W34	T28-E30 PolarHBondContact O-N 3.39Å; E30-I32 VanDerWaalsContact C-N 3.29Å; E30-I32 PolarHBondContact O-N 2.94Å; E30-I33 PolarHBondContact O-N 2.97Å; E30-W34 WeakPolarHBondContact O-CB 3.34Å; E30-W34 PolarHBondContact O-N 3.49Å
31	M	63.2	Low	58.5	Low	98 Å²	98	99.1 Å²	99.1	48%	0.483	48%	0.482	S	S	.	.	H	α-helix	trans	-64.1	-35.8	177.9	-75.8	-178.9	162.3	0	0	112.3	Y27 T28 L29 R35	Y27-M31 HydrophobicContact CD1-CB 3.85Å; Y27-M31 HydrophobicContact CD1-SD 4.23Å; T28-M31 WeakPolarHBondContact O-CB 3.13Å; T28-M31 PolarHBondContact O-N 2.84Å; T28-M31 WeakPolarHBondContact OG1-CG 3.47Å; T28-M31 PolarHBondContact OG1-N 2.99Å; L29-M31 PolarHBondContact O-N 3.18Å; M31-R35 WeakPolarHBondContact O-CB 3.12Å; M31-R35 WeakPolarHBondContact O-CG 3.23Å; M31-R35 PolarHBondContact O-N 2.88Å
32	I	66.1	Low	59.7	Low	34 Å²	34	92.1 Å²	92.1	17%	0.174	46%	0.456	C	S	.	.	H	α-helix	trans	-67.5	-47.5	176.8	-62.3	174.9	0	0	0	109.8	I18 Y27 T28 L29 E30 W34 R35 I36	I18-I32 HydrophobicContact CD1-CD1 3.9Å; Y27-I32 HydrophobicContact CG-CG1 4.41Å; T28-I32 PolarHBondContact O-N 3.33Å; L29-I32 PolarHBondContact O-N 3.34Å; E30-I32 VanDerWaalsContact C-N 3.29Å; E30-I32 PolarHBondContact O-N 2.94Å; I32-W34 VanDerWaalsContact C-N 3.35Å; I32-W34 PolarHBondContact O-N 3.39Å; I32-R35 PolarHBondContact O-N 3.08Å; I32-I36 HydrophobicContact CG2-CD1 4.02Å; I32-I36 WeakPolarHBondContact O-CG1 2.99Å; I32-I36 PolarHBondContact O-N 2.98Å
33	I	65.7	Low	60.8	Low	79 Å²	79	87.5 Å²	87.5	41%	0.405	43%	0.434	S	S	.	.	H	α-helix	trans	-59.3	-46.8	177.2	-68.7	169.5	0	0	0	110.5	L29 E30 R35 I36 H37 Y55	L29-I33 HydrophobicContact CD2-CD1 3.72Å; L29-I33 HydrophobicContact CD2-CG1 4.37Å; L29-I33 WeakPolarHBondContact O-CG1 3.45Å; L29-I33 PolarHBondContact O-N 3.11Å; E30-I33 PolarHBondContact O-N 2.97Å; I33-R35 VanDerWaalsContact C-N 3.33Å; I33-R35 PolarHBondContact O-N 3.27Å; I33-I36 PolarHBondContact O-N 3.47Å; I33-H37 WeakPolarHBondContact O-CB 3.37Å; I33-H37 PolarHBondContact O-N 3.2Å; I33-Y55 HydrophobicContact CG2-CD2 4.41Å
34	W	69.2	Low	62.7	Low	123 Å²	123	90.2 Å²	90.2	47%	0.466	45%	0.445	S	S	.	.	H	α-helix	trans	-59.1	-42	177.1	-179.2	-108	0	0	0	112.4	E30 I32 H37 Q38 Y55	E30-W34 WeakPolarHBondContact O-CB 3.34Å; E30-W34 PolarHBondContact O-N 3.49Å; I32-W34 VanDerWaalsContact C-N 3.35Å; I32-W34 PolarHBondContact O-N 3.39Å; W34-H37 WeakPolarHBondContact O-CB 3.31Å; W34-H37 PolarHBondContact O-N 2.8Å; W34-Q38 HydrophobicContact CD2-CG 4.41Å; W34-Q38 HydrophobicContact CZ2-CG 4.45Å; W34-Q38 VanDerWaalsContact O-CG 3.24Å; W34-Q38 WeakPolarHBondContact O-CG 3.49Å; W34-Q38 PolarHBondContact O-N 2.81Å; W34-Y55 AromaticContact CE3-CE1 3.99Å; W34-Y55 HydrophobicContact CE3-CE1 3.99Å; W34-Y55 AromaticContact CE3-CZ 3.96Å; W34-Y55 AromaticContact CZ3-CE1 3.88Å; W34-Y55 HydrophobicContact CZ3-CE1 3.88Å
35	R	69.4	Low	64	Low	142 Å²	142	86.8 Å²	86.8	54%	0.536	43%	0.429	S	S	.	.	H	α-helix	trans	-67.1	-39.5	177.2	-79.1	-165.7	178.1	-148.8	3.9	113	Y27 M31 I32 I33 H37 Q38 R39	Y27-R35 PolarHBondContact OH-NH1 2.84Å; Y27-R35 PolarHBondContact OH-NH2 2.82Å; Y27-R35 VanDerWaalsContact OH-NH2 3.15Å; M31-R35 WeakPolarHBondContact O-CB 3.12Å; M31-R35 WeakPolarHBondContact O-CG 3.23Å; M31-R35 PolarHBondContact O-N 2.88Å; I32-R35 PolarHBondContact O-N 3.08Å; I33-R35 VanDerWaalsContact C-N 3.33Å; I33-R35 PolarHBondContact O-N 3.27Å; R35-H37 VanDerWaalsContact C-N 3.29Å; R35-Q38 PolarHBondContact O-N 3.05Å; R35-R39 WeakPolarHBondContact O-CG 3.31Å; R35-R39 PolarHBondContact O-N 2.85Å
36	I	68.4	Low	65	Low	76 Å²	76	89.2 Å²	89.2	39%	0.39	45%	0.446	S	S	.	.	H	α-helix	trans	-64.5	-40.4	174.3	-66.8	169	0	0	0	109.8	I32 I33 Q38 R39	I32-I36 HydrophobicContact CG2-CD1 4.02Å; I32-I36 WeakPolarHBondContact O-CG1 2.99Å; I32-I36 PolarHBondContact O-N 2.98Å; I33-I36 PolarHBondContact O-N 3.47Å; I36-Q38 VanDerWaalsContact C-N 3.34Å; I36-Q38 PolarHBondContact O-N 2.78Å; I36-R39 PolarHBondContact O-N 3.29Å
37	H	69.2	Low	65.6	Low	30 Å²	30	89.6 Å²	89.6	14%	0.139	45%	0.452	C	S	.	.	H	α-helix	trans	-60.8	-40.4	175.9	-177.7	67.8	0	0	0	112.4	I33 W34 R35 R39 K52 Y55 E56	I33-H37 WeakPolarHBondContact O-CB 3.37Å; I33-H37 PolarHBondContact O-N 3.2Å; W34-H37 WeakPolarHBondContact O-CB 3.31Å; W34-H37 PolarHBondContact O-N 2.8Å; R35-H37 VanDerWaalsContact C-N 3.29Å; H37-R39 PolarHBondContact O-N 2.88Å; H37-K52 WeakPolarHBondContact ND1-CG 3.17Å; H37-K52 WeakPolarHBondContact O-CE 3.36Å; H37-K52 PolarHBondContact O-NZ 2.81Å; H37-Y55 AromaticContact CE1-CD1 3.93Å; H37-Y55 AromaticContact CG-CD1 4Å; H37-Y55 AromaticContact ND1-CD1 3.91Å; H37-Y55 AromaticContact NE2-CD1 3.99Å; H37-E56 IonicContact CE1-OE1 3.97Å; H37-E56 PolarHBondContact CE1-OE1 3.1Å; H37-E56 IonicContact NE2-OE1 2.82Å
38	Q	74.2	Confident	66.2	Low	125 Å²	125	90.2 Å²	90.2	58%	0.584	46%	0.457	S	S	*	.	H	α-helix	trans	-72.4	-23.4	178.6	-72.1	-93.4	-18.1	0	0	114.4	W34 R35 I36 A40	W34-Q38 HydrophobicContact CD2-CG 4.41Å; W34-Q38 HydrophobicContact CZ2-CG 4.45Å; W34-Q38 VanDerWaalsContact O-CG 3.24Å; W34-Q38 WeakPolarHBondContact O-CG 3.49Å; W34-Q38 PolarHBondContact O-N 2.81Å; R35-Q38 PolarHBondContact O-N 3.05Å; I36-Q38 VanDerWaalsContact C-N 3.34Å; I36-Q38 PolarHBondContact O-N 2.78Å; Q38-A40 PolarHBondContact O-N 2.88Å
39	R	70.9	Confident	67	Low	130 Å²	130	93.7 Å²	93.7	49%	0.491	47%	0.467	S	S	.	.			trans	-75.2	126.2	-175.7	-79.3	-164	178.8	-138.8	3.6	112.6	R35 I36 H37 E41 Y42 K52	R35-R39 WeakPolarHBondContact O-CG 3.31Å; R35-R39 PolarHBondContact O-N 2.85Å; I36-R39 PolarHBondContact O-N 3.29Å; H37-R39 PolarHBondContact O-N 2.88Å; R39-E41 VanDerWaalsContact C-N 3.31Å; R39-E41 IonicContact CZ-OE2 2.69Å; R39-E41 IonicContact NH1-OE1 3.71Å; R39-E41 IonicContact NH1-OE2 3.81Å; R39-E41 PolarHBondContact NH1-OE2 3.31Å; R39-Y42 HydrophobicContact CB-CD2 4Å; R39-Y42 HydrophobicContact CB-CE2 4.25Å; R39-K52 PolarHBondContact O-NZ 3.41Å
40	A	65.5	Low	67.7	Low	73 Å²	73	94 Å²	94	60%	0.603	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-70.8	-25.4	174.6	0	0	0	0	0	113	Q38 Y42 T43	Q38-A40 PolarHBondContact O-N 2.88Å; A40-Y42 PolarHBondContact O-N 2.96Å; A40-T43 WeakPolarHBondContact O-CG2 3.35Å; A40-T43 PolarHBondContact O-N 3.32Å; A40-T43 VanDerWaalsContact O-N 3.13Å; A40-T43 PolarHBondContact O-OG1 3.38Å
41	E	68.5	Low	67.9	Low	133 Å²	133	89.4 Å²	89.4	62%	0.621	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-58.6	-20.3	-175.2	-66.1	169.7	162	0	0	114.2	R39	R39-E41 VanDerWaalsContact C-N 3.31Å; R39-E41 IonicContact CZ-OE2 2.69Å; R39-E41 IonicContact NH1-OE1 3.71Å; R39-E41 IonicContact NH1-OE2 3.81Å; R39-E41 PolarHBondContact NH1-OE2 3.31Å
42	Y	65	Low	68.1	Low	91 Å²	91	86 Å²	86	36%	0.357	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-106.6	5.6	-176.2	-57.7	-62.2	0	0	0	114.6	R39 A40 N44 V45 I48	R39-Y42 HydrophobicContact CB-CD2 4Å; R39-Y42 HydrophobicContact CB-CE2 4.25Å; A40-Y42 PolarHBondContact O-N 2.96Å; Y42-N44 PolarHBondContact O-N 3.29Å; Y42-N44 VanDerWaalsContact O-N 3.12Å; Y42-V45 PolarHBondContact O-N 3.23Å; Y42-V45 VanDerWaalsContact O-N 3.15Å; Y42-I48 HydrophobicContact CD1-CD1 3.7Å; Y42-I48 HydrophobicContact CG-CD1 3.69Å
43	T	65.5	Low	68.2	Low	68 Å²	68	88.3 Å²	88.3	42%	0.417	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-23.5	-179	48.8	0	0	0	0	113.5	A40	A40-T43 WeakPolarHBondContact O-CG2 3.35Å; A40-T43 PolarHBondContact O-N 3.32Å; A40-T43 VanDerWaalsContact O-N 3.13Å; A40-T43 PolarHBondContact O-OG1 3.38Å
44	N	75.1	Confident	68	Low	146 Å²	146	88.2 Å²	88.2	78%	0.781	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-6.6	-176.6	-57.1	-10.2	0	0	0	112.9	Y42 P46	Y42-N44 PolarHBondContact O-N 3.29Å; Y42-N44 VanDerWaalsContact O-N 3.12Å; N44-P46 WeakPolarHBondContact O-CD 3.48Å
45	V	71.9	Confident	67.8	Low	58 Å²	58	86.1 Å²	86.1	35%	0.352	45%	0.451	S	S	.	.			trans	-88.2	115.2	176.8	-177.9	0	0	0	0	108.6	Y42 S47 I48 K49	Y42-V45 PolarHBondContact O-N 3.23Å; Y42-V45 VanDerWaalsContact O-N 3.15Å; V45-S47 VanDerWaalsContact C-N 3.31Å; V45-S47 WeakPolarHBondContact CG1-OG 3.28Å; V45-S47 PolarHBondContact O-N 2.86Å; V45-I48 HydrophobicContact CB-CB 4.14Å; V45-I48 HydrophobicContact CB-CD1 4.15Å; V45-I48 HydrophobicContact CB-CG1 4.15Å; V45-I48 HydrophobicContact CG1-CB 4.4Å; V45-I48 HydrophobicContact CG1-CD1 4.2Å; V45-I48 HydrophobicContact CG1-CG1 4.01Å; V45-I48 HydrophobicContact CG2-CD1 4.44Å; V45-I48 PolarHBondContact O-N 3.03Å; V45-I48 VanDerWaalsContact O-N 3.08Å; V45-K49 PolarHBondContact O-N 2.89Å
46	P	71	Confident	67.8	Low	106 Å²	106	83.2 Å²	83.2	69%	0.688	44%	0.444	S	S	*	.	H	α-helix	trans	-57.4	-40	-172	-27.5	35.3	0	0	0	114.1	N44 K49 A50	N44-P46 WeakPolarHBondContact O-CD 3.48Å; P46-K49 PolarHBondContact O-N 3.32Å; P46-A50 WeakPolarHBondContact O-CB 3.09Å; P46-A50 PolarHBondContact O-N 2.96Å
47	S	61.6	Low	67.5	Low	84 Å²	84	82.5 Å²	82.5	59%	0.587	44%	0.443	S	S	*	.	H	α-helix	trans	-66.5	-39.5	178.3	52.9	0	0	0	0	112.5	V45 A50 A51	V45-S47 VanDerWaalsContact C-N 3.31Å; V45-S47 WeakPolarHBondContact CG1-OG 3.28Å; V45-S47 PolarHBondContact O-N 2.86Å; S47-A50 PolarHBondContact O-N 3.19Å; S47-A51 WeakPolarHBondContact O-CB 3.28Å; S47-A51 PolarHBondContact O-N 3.33Å
48	I	64.1	Low	66.9	Low	41 Å²	41	84 Å²	84	21%	0.21	46%	0.456	C	S	.	.	H	α-helix	trans	-70	-39.6	176.2	-61.9	-179.9	0	0	0	110.1	Y42 V45 A51 K52	Y42-I48 HydrophobicContact CD1-CD1 3.7Å; Y42-I48 HydrophobicContact CG-CD1 3.69Å; V45-I48 HydrophobicContact CB-CB 4.14Å; V45-I48 HydrophobicContact CB-CD1 4.15Å; V45-I48 HydrophobicContact CB-CG1 4.15Å; V45-I48 HydrophobicContact CG1-CB 4.4Å; V45-I48 HydrophobicContact CG1-CD1 4.2Å; V45-I48 HydrophobicContact CG1-CG1 4.01Å; V45-I48 HydrophobicContact CG2-CD1 4.44Å; V45-I48 PolarHBondContact O-N 3.03Å; V45-I48 VanDerWaalsContact O-N 3.08Å; I48-A51 PolarHBondContact O-N 2.9Å; I48-K52 HydrophobicContact CG2-CG 4.35Å; I48-K52 WeakPolarHBondContact O-CG 3.45Å; I48-K52 PolarHBondContact O-N 2.92Å
49	K	71	Confident	66.4	Low	121 Å²	121	80.8 Å²	80.8	53%	0.526	45%	0.445	S	S	.	.	H	α-helix	trans	-59.7	-46.1	173.9	-172.2	177.1	179.8	179.5	0	111.9	V45 P46 A51 K52 N53	V45-K49 PolarHBondContact O-N 2.89Å; P46-K49 PolarHBondContact O-N 3.32Å; K49-A51 PolarHBondContact O-N 3.28Å; K49-K52 PolarHBondContact O-N 3.48Å; K49-N53 PolarHBondContact O-N 3.43Å
50	A	66.2	Low	66.1	Low	60 Å²	60	79.1 Å²	79.1	50%	0.496	45%	0.446	S	S	.	.	H	α-helix	trans	-61.4	-42.8	175.8	0	0	0	0	0	112.1	P46 S47 N53 F54	P46-A50 WeakPolarHBondContact O-CB 3.09Å; P46-A50 PolarHBondContact O-N 2.96Å; S47-A50 PolarHBondContact O-N 3.19Å; A50-N53 PolarHBondContact O-N 3.38Å; A50-F54 WeakPolarHBondContact O-CB 3.43Å; A50-F54 PolarHBondContact O-N 3.44Å
51	A	63.6	Low	65.6	Low	60 Å²	60	76.4 Å²	76.4	50%	0.496	42%	0.423	S	S	.	.	H	α-helix	trans	-64.2	-41	176.3	0	0	0	0	0	112.7	S47 I48 K49 F54 Y55	S47-A51 WeakPolarHBondContact O-CB 3.28Å; S47-A51 PolarHBondContact O-N 3.33Å; I48-A51 PolarHBondContact O-N 2.9Å; K49-A51 PolarHBondContact O-N 3.28Å; A51-F54 PolarHBondContact O-N 3.22Å; A51-Y55 PolarHBondContact O-N 3.28Å
52	K	67.5	Low	64.9	Low	26 Å²	26	74.9 Å²	74.9	11%	0.113	43%	0.427	C	S	.	.	H	α-helix	trans	-62.8	-49.1	174.9	-72.7	-163.3	-172.2	-168.8	0	111.6	H37 R39 I48 K49 F54 Y55 E56	H37-K52 WeakPolarHBondContact ND1-CG 3.17Å; H37-K52 WeakPolarHBondContact O-CE 3.36Å; H37-K52 PolarHBondContact O-NZ 2.81Å; R39-K52 PolarHBondContact O-NZ 3.41Å; I48-K52 HydrophobicContact CG2-CG 4.35Å; I48-K52 WeakPolarHBondContact O-CG 3.45Å; I48-K52 PolarHBondContact O-N 2.92Å; K49-K52 PolarHBondContact O-N 3.48Å; K52-F54 VanDerWaalsContact C-N 3.27Å; K52-F54 PolarHBondContact O-N 2.96Å; K52-Y55 WeakPolarHBondContact O-CB 3.44Å; K52-Y55 PolarHBondContact O-N 3.12Å; K52-Y55 VanDerWaalsContact O-N 3.16Å; K52-E56 WeakPolarHBondContact O-CG 3.34Å; K52-E56 PolarHBondContact O-N 3.14Å
53	N	68.5	Low	64.3	Low	82 Å²	82	77.1 Å²	77.1	44%	0.439	45%	0.445	S	S	.	.	H	α-helix	trans	-57.2	-43.9	176.8	-79.9	15.7	0	0	0	111	K49 A50 E56 T57	K49-N53 PolarHBondContact O-N 3.43Å; A50-N53 PolarHBondContact O-N 3.38Å; N53-E56 PolarHBondContact O-N 2.84Å; N53-T57 WeakPolarHBondContact O-CB 3.43Å; N53-T57 PolarHBondContact O-N 3.27Å; N53-T57 PolarHBondContact O-OG1 2.85Å
54	F	62.7	Low	63.9	Low	78 Å²	78	78.1 Å²	78.1	34%	0.342	45%	0.446	S	S	.	.	H	α-helix	trans	-61.5	-46.2	177.2	178.1	-112.3	0	0	0	112.2	A50 A51 K52 E56 T57 C58 R160	A50-F54 WeakPolarHBondContact O-CB 3.43Å; A50-F54 PolarHBondContact O-N 3.44Å; A51-F54 PolarHBondContact O-N 3.22Å; K52-F54 VanDerWaalsContact C-N 3.27Å; K52-F54 PolarHBondContact O-N 2.96Å; F54-E56 PolarHBondContact O-N 2.9Å; F54-T57 PolarHBondContact O-N 2.96Å; F54-C58 WeakPolarHBondContact CE2-SG 3.48Å; F54-C58 WeakPolarHBondContact CZ-SG 3.5Å; F54-C58 PolarHBondContact O-N 2.72Å; F54-R160 VanDerWaalsContact CD1-NH2 3.25Å; F54-R160 HydrophobicContact CD2-CG 3.77Å; F54-R160 HydrophobicContact CE2-CG 3.26Å; F54-R160 HydrophobicContact CZ-CG 4.17Å
55	Y	64.3	Low	63.1	Low	78 Å²	78	77.3 Å²	77.3	31%	0.306	44%	0.442	S	S	.	.	H	α-helix	trans	-58	-48.2	175.9	178.4	-92.7	0	0	0	112	I33 W34 H37 A51 K52 T57 C58 T59	I33-Y55 HydrophobicContact CG2-CD2 4.41Å; W34-Y55 AromaticContact CE3-CE1 3.99Å; W34-Y55 HydrophobicContact CE3-CE1 3.99Å; W34-Y55 AromaticContact CE3-CZ 3.96Å; W34-Y55 AromaticContact CZ3-CE1 3.88Å; W34-Y55 HydrophobicContact CZ3-CE1 3.88Å; H37-Y55 AromaticContact CE1-CD1 3.93Å; H37-Y55 AromaticContact CG-CD1 4Å; H37-Y55 AromaticContact ND1-CD1 3.91Å; H37-Y55 AromaticContact NE2-CD1 3.99Å; A51-Y55 PolarHBondContact O-N 3.28Å; K52-Y55 WeakPolarHBondContact O-CB 3.44Å; K52-Y55 PolarHBondContact O-N 3.12Å; K52-Y55 VanDerWaalsContact O-N 3.16Å; Y55-T57 VanDerWaalsContact C-N 3.31Å; Y55-T57 PolarHBondContact O-N 3.18Å; Y55-C58 PolarHBondContact O-N 3.12Å; Y55-T59 HydrophobicContact CD1-CG2 4.48Å; Y55-T59 HydrophobicContact CE1-CG2 3.92Å; Y55-T59 HydrophobicContact CE2-CG2 4.47Å; Y55-T59 PolarHBondContact O-N 3.44Å; Y55-T59 PolarHBondContact O-OG1 3.21Å; Y55-T59 VanDerWaalsContact O-OG1 3.12Å
56	E	69.2	Low	62.4	Low	82 Å²	82	76.6 Å²	76.6	38%	0.383	45%	0.446	S	S	.	.	H	α-helix	trans	-60.2	-41.5	177.9	-75.3	171.3	-171.6	0	0	112	H37 K52 N53 F54 C58 T59 N60	H37-E56 IonicContact CE1-OE1 3.97Å; H37-E56 PolarHBondContact CE1-OE1 3.1Å; H37-E56 IonicContact NE2-OE1 2.82Å; K52-E56 WeakPolarHBondContact O-CG 3.34Å; K52-E56 PolarHBondContact O-N 3.14Å; N53-E56 PolarHBondContact O-N 2.84Å; F54-E56 PolarHBondContact O-N 2.9Å; E56-C58 VanDerWaalsContact C-N 3.34Å; E56-C58 PolarHBondContact O-N 2.92Å; E56-T59 VanDerWaalsContact CA-OG1 3.29Å; E56-T59 WeakPolarHBondContact CA-OG1 3.26Å; E56-T59 PolarHBondContact O-N 2.87Å; E56-T59 PolarHBondContact O-OG1 2.9Å; E56-N60 WeakPolarHBondContact O-CB 3.4Å; E56-N60 PolarHBondContact O-N 3.41Å
57	T	63.1	Low	61.7	Low	60 Å²	60	75.8 Å²	75.8	37%	0.368	44%	0.441	S	S	.	.	H	α-helix	trans	-63.3	-42.4	178.4	-47.2	0	0	0	0	110.4	N53 F54 Y55 N60 A61	N53-T57 WeakPolarHBondContact O-CB 3.43Å; N53-T57 PolarHBondContact O-N 3.27Å; N53-T57 PolarHBondContact O-OG1 2.85Å; F54-T57 PolarHBondContact O-N 2.96Å; Y55-T57 VanDerWaalsContact C-N 3.31Å; Y55-T57 PolarHBondContact O-N 3.18Å; T57-N60 PolarHBondContact O-N 3.18Å; T57-A61 WeakPolarHBondContact O-CB 3.42Å; T57-A61 PolarHBondContact O-N 3.36Å
58	C	55.2	Low	61.5	Low	62 Å²	62	75.8 Å²	75.8	42%	0.419	43%	0.434	S	S	.	.	H	α-helix	trans	-65.2	-41	175	-71	0	0	0	0	112.9	F54 Y55 E56 A61	F54-C58 WeakPolarHBondContact CE2-SG 3.48Å; F54-C58 WeakPolarHBondContact CZ-SG 3.5Å; F54-C58 PolarHBondContact O-N 2.72Å; Y55-C58 PolarHBondContact O-N 3.12Å; E56-C58 VanDerWaalsContact C-N 3.34Å; E56-C58 PolarHBondContact O-N 2.92Å; C58-A61 PolarHBondContact O-N 3.39Å
59	T	65.1	Low	60.9	Low	58 Å²	58	76.7 Å²	76.7	36%	0.356	44%	0.439	S	S	.	.	H	α-helix	trans	-69	-37.1	177.5	43.6	0	0	0	0	112.1	Y55 E56 S62	Y55-T59 HydrophobicContact CD1-CG2 4.48Å; Y55-T59 HydrophobicContact CE1-CG2 3.92Å; Y55-T59 HydrophobicContact CE2-CG2 4.47Å; Y55-T59 PolarHBondContact O-N 3.44Å; Y55-T59 PolarHBondContact O-OG1 3.21Å; Y55-T59 VanDerWaalsContact O-OG1 3.12Å; E56-T59 VanDerWaalsContact CA-OG1 3.29Å; E56-T59 WeakPolarHBondContact CA-OG1 3.26Å; E56-T59 PolarHBondContact O-N 2.87Å; E56-T59 PolarHBondContact O-OG1 2.9Å; T59-S62 WeakPolarHBondContact O-CB 3.41Å; T59-S62 PolarHBondContact O-N 3.29Å; T59-S62 PolarHBondContact O-OG 2.75Å
60	N	64.4	Low	59.8	Low	94 Å²	94	77.7 Å²	77.7	50%	0.503	45%	0.445	S	S	.	.	H	α-helix	trans	-77.1	-26.2	176.6	-73.7	-16.9	0	0	0	112.7	E56 T57 S62 L63 M64	E56-N60 WeakPolarHBondContact O-CB 3.4Å; E56-N60 PolarHBondContact O-N 3.41Å; T57-N60 PolarHBondContact O-N 3.18Å; N60-S62 PolarHBondContact O-N 2.87Å; N60-L63 CarbonylContact O-C 3.57Å; N60-L63 WeakPolarHBondContact O-CA 3.31Å; N60-L63 VanDerWaalsContact O-CB 3.28Å; N60-L63 WeakPolarHBondContact O-CB 3.36Å; N60-L63 PolarHBondContact O-N 2.9Å; N60-M64 PolarHBondContact O-N 2.73Å
61	A	54.1	Low	59.4	Low	16 Å²	16	78.4 Å²	78.4	13%	0.132	44%	0.443	C	S	.	.	H	α-helix	trans	-61.6	-24.8	173.3	0	0	0	0	0	112.1	T57 C58 L63 M64	T57-A61 WeakPolarHBondContact O-CB 3.42Å; T57-A61 PolarHBondContact O-N 3.36Å; C58-A61 PolarHBondContact O-N 3.39Å; A61-L63 PolarHBondContact O-N 2.83Å; A61-M64 HydrophobicContact CB-SD 4.32Å; A61-M64 WeakPolarHBondContact O-CB 3.26Å; A61-M64 PolarHBondContact O-N 3.15Å
62	S	53.4	Low	59.1	Low	101 Å²	101	80.8 Å²	80.8	71%	0.706	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.3	169.7	75.3	0	0	0	0	113.7	T59 N60	T59-S62 WeakPolarHBondContact O-CB 3.41Å; T59-S62 PolarHBondContact O-N 3.29Å; T59-S62 PolarHBondContact O-OG 2.75Å; N60-S62 PolarHBondContact O-N 2.87Å
63	L	53.5	Low	58.3	Low	138 Å²	138	82.4 Å²	82.4	72%	0.723	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-2.9	175	-56.5	169.2	0	0	0	112.3	N60 A61	N60-L63 CarbonylContact O-C 3.57Å; N60-L63 WeakPolarHBondContact O-CA 3.31Å; N60-L63 VanDerWaalsContact O-CB 3.28Å; N60-L63 WeakPolarHBondContact O-CB 3.36Å; N60-L63 PolarHBondContact O-N 2.9Å; A61-L63 PolarHBondContact O-N 2.83Å
64	M	57.5	Low	57.5	Low	90 Å²	90	81.7 Å²	81.7	44%	0.443	45%	0.453	S	S	.	.	S	Bend	trans	-75.9	128.4	177.1	-78.3	-178.1	166.6	0	0	109.9	N60 A61 G66 L68 I69	N60-M64 PolarHBondContact O-N 2.73Å; A61-M64 HydrophobicContact CB-SD 4.32Å; A61-M64 WeakPolarHBondContact O-CB 3.26Å; A61-M64 PolarHBondContact O-N 3.15Å; M64-G66 PolarHBondContact O-N 3.1Å; M64-L68 HydrophobicContact CB-CD2 4.48Å; M64-L68 HydrophobicContact CE-CD2 4.29Å; M64-L68 HydrophobicContact CG-CD2 4.17Å; M64-L68 HydrophobicContact SD-CD2 4.09Å; M64-I69 HydrophobicContact CB-CD1 4.41Å; M64-I69 HydrophobicContact CB-CG1 4.28Å
65	D	57.9	Low	57.2	Low	128 Å²	128	82.1 Å²	82.1	68%	0.684	46%	0.456	S	S	*	.			trans	-55.3	130.3	175.8	-93.3	-30.4	0	0	0	110.5	P67 L68 I69	D65-P67 VanDerWaalsContact O-N 3.09Å; D65-L68 WeakPolarHBondContact O-CB 3.23Å; D65-L68 PolarHBondContact O-N 3.02Å; D65-I69 PolarHBondContact O-N 3.49Å
66	G	55.9	Low	56.7	Low	44 Å²	44	79.7 Å²	79.7	45%	0.454	45%	0.448	S	S	.	.	H	α-helix	trans	-44.6	-41.2	178.6	0	0	0	0	0	114.7	M64 L68 I69 E70	M64-G66 PolarHBondContact O-N 3.1Å; G66-L68 VanDerWaalsContact C-N 3.31Å; G66-L68 PolarHBondContact O-N 3.3Å; G66-I69 PolarHBondContact O-N 3.33Å; G66-E70 PolarHBondContact O-N 3.31Å
67	P	57.8	Low	55.8	Low	89 Å²	89	79.4 Å²	79.4	58%	0.578	45%	0.448	S	S	*	.	H	α-helix	trans	-56.6	-35.8	173.3	-28.7	34	0	0	0	115.3	D65 T71	D65-P67 VanDerWaalsContact O-N 3.09Å; P67-T71 WeakPolarHBondContact O-CB 3.02Å; P67-T71 PolarHBondContact O-N 3.18Å; P67-T71 PolarHBondContact O-OG1 2.98Å
68	L	56.7	Low	55.3	Low	83 Å²	83	79.9 Å²	79.9	44%	0.435	45%	0.446	S	S	.	.	H	α-helix	trans	-70.7	-39.4	178.4	-171	73.1	0	0	0	110.6	M64 D65 G66 T71 K72	M64-L68 HydrophobicContact CB-CD2 4.48Å; M64-L68 HydrophobicContact CE-CD2 4.29Å; M64-L68 HydrophobicContact CG-CD2 4.17Å; M64-L68 HydrophobicContact SD-CD2 4.09Å; D65-L68 WeakPolarHBondContact O-CB 3.23Å; D65-L68 PolarHBondContact O-N 3.02Å; G66-L68 VanDerWaalsContact C-N 3.31Å; G66-L68 PolarHBondContact O-N 3.3Å; L68-T71 PolarHBondContact O-N 3.5Å; L68-K72 WeakPolarHBondContact O-CG 3.48Å; L68-K72 PolarHBondContact O-N 3.38Å
69	I	51.1	Low	55.2	Low	61 Å²	61	79.8 Å²	79.8	31%	0.313	45%	0.45	S	S	.	.	H	α-helix	trans	-63.3	-47.4	175.3	-61.8	174.8	0	0	0	110	M64 D65 G66 T71 K72 V73	M64-I69 HydrophobicContact CB-CD1 4.41Å; M64-I69 HydrophobicContact CB-CG1 4.28Å; D65-I69 PolarHBondContact O-N 3.49Å; G66-I69 PolarHBondContact O-N 3.33Å; I69-T71 VanDerWaalsContact C-N 3.33Å; I69-T71 PolarHBondContact O-N 2.85Å; I69-K72 PolarHBondContact O-N 3.02Å; I69-V73 HydrophobicContact CG2-CG2 4.43Å; I69-V73 VanDerWaalsContact O-CG2 3.31Å; I69-V73 WeakPolarHBondContact O-CG2 3.33Å; I69-V73 PolarHBondContact O-N 2.77Å
70	E	48.6	Very low	54.5	Low	142 Å²	142	77.6 Å²	77.6	66%	0.664	44%	0.436	S	S	*	.	H	α-helix	trans	-57.1	-46.2	174.9	-89.2	-174.4	151.2	0	0	112	G66 K72 V73 V74	G66-E70 PolarHBondContact O-N 3.31Å; E70-K72 VanDerWaalsContact C-N 3.34Å; E70-K72 PolarHBondContact O-N 3.4Å; E70-V73 PolarHBondContact O-N 3.37Å; E70-V74 WeakPolarHBondContact O-CG2 3.27Å; E70-V74 PolarHBondContact O-N 3.41Å
71	T	58.1	Low	54	Low	74 Å²	74	76.6 Å²	76.6	45%	0.454	43%	0.427	S	S	.	.	H	α-helix	trans	-58.8	-45.4	177.7	-52.8	0	0	0	0	111.2	P67 L68 I69 V73 V74 E75	P67-T71 WeakPolarHBondContact O-CB 3.02Å; P67-T71 PolarHBondContact O-N 3.18Å; P67-T71 PolarHBondContact O-OG1 2.98Å; L68-T71 PolarHBondContact O-N 3.5Å; I69-T71 VanDerWaalsContact C-N 3.33Å; I69-T71 PolarHBondContact O-N 2.85Å; T71-V73 PolarHBondContact O-N 2.89Å; T71-V74 PolarHBondContact O-N 2.82Å; T71-E75 WeakPolarHBondContact O-CG 3.37Å; T71-E75 PolarHBondContact O-N 2.99Å
72	K	55.7	Low	53.9	Low	111 Å²	111	83.5 Å²	83.5	48%	0.483	46%	0.462	S	S	.	.	H	α-helix	trans	-65	-39.4	178	-74.5	-72.2	160.4	-150.9	0	112.4	L68 I69 E70 E75 M76	L68-K72 WeakPolarHBondContact O-CG 3.48Å; L68-K72 PolarHBondContact O-N 3.38Å; I69-K72 PolarHBondContact O-N 3.02Å; E70-K72 VanDerWaalsContact C-N 3.34Å; E70-K72 PolarHBondContact O-N 3.4Å; K72-E75 IonicContact NZ-OE1 3.88Å; K72-E75 IonicContact NZ-OE2 3.22Å; K72-E75 PolarHBondContact NZ-OE2 2.99Å; K72-M76 WeakPolarHBondContact O-CB 3.46Å; K72-M76 PolarHBondContact O-N 3.24Å
73	V	51.2	Low	53.4	Low	59 Å²	59	81 Å²	81	36%	0.358	45%	0.452	S	S	.	.	H	α-helix	trans	-62.8	-42.9	175.2	170.1	0	0	0	0	110.9	I69 E70 T71 M76 I77	I69-V73 HydrophobicContact CG2-CG2 4.43Å; I69-V73 VanDerWaalsContact O-CG2 3.31Å; I69-V73 WeakPolarHBondContact O-CG2 3.33Å; I69-V73 PolarHBondContact O-N 2.77Å; E70-V73 PolarHBondContact O-N 3.37Å; T71-V73 PolarHBondContact O-N 2.89Å; V73-M76 WeakPolarHBondContact O-CB 3.49Å; V73-M76 PolarHBondContact O-N 2.98Å; V73-I77 HydrophobicContact CG1-CD1 3.88Å; V73-I77 VanDerWaalsContact O-CG1 3.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.32Å; V73-I77 PolarHBondContact O-N 2.69Å
74	V	52.6	Low	53	Low	67 Å²	67	80.5 Å²	80.5	41%	0.406	44%	0.441	S	S	.	.	H	α-helix	trans	-64.3	-50.3	177.1	171.8	0	0	0	0	111.4	E70 T71 M76 I77 E78 L85	E70-V74 WeakPolarHBondContact O-CG2 3.27Å; E70-V74 PolarHBondContact O-N 3.41Å; T71-V74 PolarHBondContact O-N 2.82Å; V74-M76 PolarHBondContact O-N 2.91Å; V74-I77 PolarHBondContact O-N 2.74Å; V74-I77 VanDerWaalsContact O-N 3.1Å; V74-E78 PolarHBondContact O-N 2.75Å; V74-L85 HydrophobicContact CG1-CD1 3.52Å
75	E	56.7	Low	52.4	Low	87 Å²	87	80.4 Å²	80.4	41%	0.407	44%	0.442	S	S	.	.	H	α-helix	trans	-54.6	-36.9	174.5	-76.1	177.8	174.8	0	0	111.2	T71 K72 A79	T71-E75 WeakPolarHBondContact O-CG 3.37Å; T71-E75 PolarHBondContact O-N 2.99Å; K72-E75 IonicContact NZ-OE1 3.88Å; K72-E75 IonicContact NZ-OE2 3.22Å; K72-E75 PolarHBondContact NZ-OE2 2.99Å; E75-A79 WeakPolarHBondContact O-CB 3.33Å; E75-A79 PolarHBondContact O-N 3.31Å
76	M	52.8	Low	51.7	Low	28 Å²	28	78.7 Å²	78.7	14%	0.138	43%	0.431	C	S	.	.	H	α-helix	trans	-72.4	-39.1	179.2	-122.7	-147.4	63.1	0	0	113.6	K72 V73 V74 A79 I80 M158	K72-M76 WeakPolarHBondContact O-CB 3.46Å; K72-M76 PolarHBondContact O-N 3.24Å; V73-M76 WeakPolarHBondContact O-CB 3.49Å; V73-M76 PolarHBondContact O-N 2.98Å; V74-M76 PolarHBondContact O-N 2.91Å; M76-A79 PolarHBondContact O-N 3.49Å; M76-I80 HydrophobicContact CE-CD1 3.16Å; M76-I80 HydrophobicContact CE-CG1 3.92Å; M76-I80 WeakPolarHBondContact O-CB 3.41Å; M76-I80 WeakPolarHBondContact O-CG1 3.45Å; M76-I80 PolarHBondContact O-N 3.23Å; M76-M158 HydrophobicContact CE-CB 3.91Å; M76-M158 HydrophobicContact CE-CE 3.46Å; M76-M158 VanDerWaalsContact CE-CE 3.46Å; M76-M158 HydrophobicContact CE-CG 3.14Å; M76-M158 HydrophobicContact CE-SD 3.23Å; M76-M158 WeakPolarHBondContact CE-SD 3.46Å; M76-M158 HydrophobicContact SD-CB 3.37Å; M76-M158 WeakPolarHBondContact SD-CB 3.06Å; M76-M158 HydrophobicContact SD-CG 3.27Å; M76-M158 WeakPolarHBondContact SD-CG 3.41Å; M76-M158 HydrophobicContact SD-SD 4.07Å
77	I	49.7	Very low	51	Low	76 Å²	76	78.8 Å²	78.8	39%	0.39	42%	0.424	S	S	.	.	H	α-helix	trans	-62.6	-48.2	172.6	-70.8	167.8	0	0	0	108.4	V73 V74 A79 I80 F81	V73-I77 HydrophobicContact CG1-CD1 3.88Å; V73-I77 VanDerWaalsContact O-CG1 3.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.32Å; V73-I77 PolarHBondContact O-N 2.69Å; V74-I77 PolarHBondContact O-N 2.74Å; V74-I77 VanDerWaalsContact O-N 3.1Å; I77-A79 VanDerWaalsContact C-N 3.33Å; I77-A79 PolarHBondContact O-N 2.64Å; I77-I80 PolarHBondContact O-N 2.84Å; I77-F81 HydrophobicContact CB-CD2 4.5Å; I77-F81 HydrophobicContact CG2-CD2 3.67Å; I77-F81 HydrophobicContact CG2-CE2 4.03Å; I77-F81 WeakPolarHBondContact O-CB 3.05Å; I77-F81 WeakPolarHBondContact O-CD2 3.48Å; I77-F81 PolarHBondContact O-N 3.29Å
78	E	54.1	Low	50.3	Low	69 Å²	69	78.8 Å²	78.8	32%	0.322	43%	0.431	S	S	.	.	H	α-helix	trans	-55	-48.3	173.9	-71.5	-172.5	127.9	0	0	111.6	V74 I80 F81 N82 G83 L85	V74-E78 PolarHBondContact O-N 2.75Å; E78-I80 PolarHBondContact O-N 3.4Å; E78-F81 CarbonylContact O-C 3.56Å; E78-F81 PolarHBondContact O-N 3.23Å; E78-N82 CarbonylContact O-C 3.46Å; E78-N82 WeakPolarHBondContact O-CA 3.46Å; E78-N82 PolarHBondContact O-N 3.45Å; E78-G83 PolarHBondContact O-N 3.07Å; E78-L85 HydrophobicContact CG-CB 4.11Å; E78-L85 HydrophobicContact CG-CD1 3.41Å; E78-L85 VanDerWaalsContact CG-CD1 3.41Å; E78-L85 HydrophobicContact CG-CG 4.34Å; E78-L85 WeakPolarHBondContact OE1-CD1 3.42Å
79	A	53	Low	49.6	Very low	60 Å²	60	80.9 Å²	80.9	50%	0.496	44%	0.443	S	S	.	.	H	α-helix	trans	-63	-39	179.8	0	0	0	0	0	112.9	E75 M76 I77	E75-A79 WeakPolarHBondContact O-CB 3.33Å; E75-A79 PolarHBondContact O-N 3.31Å; M76-A79 PolarHBondContact O-N 3.49Å; I77-A79 VanDerWaalsContact C-N 3.33Å; I77-A79 PolarHBondContact O-N 2.64Å
80	I	49.4	Very low	49.2	Very low	12 Å²	12	82.7 Å²	82.7	6%	0.062	45%	0.45	C	S	.	.	H	α-helix	trans	-67.9	-41.8	176.6	-75.7	176.8	0	0	0	111.2	M76 I77 E78 N82 L115 M158	M76-I80 HydrophobicContact CE-CD1 3.16Å; M76-I80 HydrophobicContact CE-CG1 3.92Å; M76-I80 WeakPolarHBondContact O-CB 3.41Å; M76-I80 WeakPolarHBondContact O-CG1 3.45Å; M76-I80 PolarHBondContact O-N 3.23Å; I77-I80 PolarHBondContact O-N 2.84Å; E78-I80 PolarHBondContact O-N 3.4Å; I80-N82 VanDerWaalsContact C-N 3.29Å; I80-N82 PolarHBondContact O-N 3.35Å; I80-L115 HydrophobicContact CD1-CD2 4.38Å; I80-M158 HydrophobicContact CD1-CE 3.47Å; I80-M158 VanDerWaalsContact CD1-CE 3.47Å; I80-M158 HydrophobicContact CD1-SD 4.49Å
81	F	53.3	Low	48.9	Very low	74 Å²	74	81.9 Å²	81.9	33%	0.325	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	18.6	-176.8	-65.1	-77.4	0	0	0	112.5	I77 E78 G83 W84 I111	I77-F81 HydrophobicContact CB-CD2 4.5Å; I77-F81 HydrophobicContact CG2-CD2 3.67Å; I77-F81 HydrophobicContact CG2-CE2 4.03Å; I77-F81 WeakPolarHBondContact O-CB 3.05Å; I77-F81 WeakPolarHBondContact O-CD2 3.48Å; I77-F81 PolarHBondContact O-N 3.29Å; E78-F81 CarbonylContact O-C 3.56Å; E78-F81 PolarHBondContact O-N 3.23Å; F81-G83 VanDerWaalsContact C-N 3.27Å; F81-G83 PolarHBondContact O-N 3.48Å; F81-W84 HydrophobicContact CB-CB 3.92Å; F81-W84 WeakPolarHBondContact O-CB 3.39Å; F81-W84 PolarHBondContact O-N 2.8Å; F81-I111 HydrophobicContact CD1-CD1 4.39Å; F81-I111 HydrophobicContact CD1-CG1 3.94Å; F81-I111 HydrophobicContact CD1-CG2 4.47Å; F81-I111 HydrophobicContact CE1-CB 4.15Å; F81-I111 HydrophobicContact CE1-CD1 3.99Å; F81-I111 HydrophobicContact CE1-CG1 3.73Å; F81-I111 HydrophobicContact CE1-CG2 3.56Å; F81-I111 HydrophobicContact CZ-CG2 4.19Å
82	N	52.9	Low	47.8	Very low	160 Å²	160	86 Å²	86	86%	0.856	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	39.6	175.7	-124.1	12.9	0	0	0	113.8	E78 I80	E78-N82 CarbonylContact O-C 3.46Å; E78-N82 WeakPolarHBondContact O-CA 3.46Å; E78-N82 PolarHBondContact O-N 3.45Å; I80-N82 VanDerWaalsContact C-N 3.29Å; I80-N82 PolarHBondContact O-N 3.35Å
83	G	43	Very low	46.9	Very low	49 Å²	49	85.6 Å²	85.6	51%	0.505	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	10.3	-179.1	0	0	0	0	0	114.8	E78 F81 L85	E78-G83 PolarHBondContact O-N 3.07Å; F81-G83 VanDerWaalsContact C-N 3.27Å; F81-G83 PolarHBondContact O-N 3.48Å; G83-L85 PolarHBondContact O-N 3.28Å
84	W	45.3	Very low	46.1	Very low	128 Å²	128	87.9 Å²	87.9	49%	0.485	48%	0.476	S	S	.	.			trans	-72	70.8	166.5	-99.1	24.2	0	0	0	110.8	F81 M86 K105	F81-W84 HydrophobicContact CB-CB 3.92Å; F81-W84 WeakPolarHBondContact O-CB 3.39Å; F81-W84 PolarHBondContact O-N 2.8Å; W84-M86 PolarHBondContact O-N 2.98Å; W84-K105 HydrophobicContact CH2-CB 4.34Å; W84-K105 HydrophobicContact CZ2-CB 4.08Å
85	L	45.7	Very low	45.2	Very low	88 Å²	88	94.2 Å²	94.2	46%	0.461	50%	0.498	S	S	.	.			trans	-70.1	107.5	158.3	-157.4	105.3	0	0	0	106.4	V74 E78 G83 S87	V74-L85 HydrophobicContact CG1-CD1 3.52Å; E78-L85 HydrophobicContact CG-CB 4.11Å; E78-L85 HydrophobicContact CG-CD1 3.41Å; E78-L85 VanDerWaalsContact CG-CD1 3.41Å; E78-L85 HydrophobicContact CG-CG 4.34Å; E78-L85 WeakPolarHBondContact OE1-CD1 3.42Å; G83-L85 PolarHBondContact O-N 3.28Å; L85-S87 VanDerWaalsContact C-N 3.26Å; L85-S87 PolarHBondContact O-N 3.44Å
86	M	43.2	Very low	44.4	Very low	92 Å²	92	93.6 Å²	93.6	45%	0.453	50%	0.503	S	S	.	.			trans	-56.6	101.3	158.7	-76.6	-163.5	-160.5	0	0	106.2	W84 H90 F100	W84-M86 PolarHBondContact O-N 2.98Å; M86-H90 HydrophobicContact CB-CB 3.93Å; M86-H90 HydrophobicContact CG-CB 4.16Å; M86-H90 HydrophobicContact SD-CB 4.41Å; M86-F100 HydrophobicContact CE-CE2 4.14Å
87	S	41.1	Very low	43.6	Very low	46 Å²	46	98.2 Å²	98.2	32%	0.322	53%	0.534	S	S	.	.			trans	-45.6	146.3	166.1	72.3	0	0	0	0	108.9	L85 N89 H90	L85-S87 VanDerWaalsContact C-N 3.26Å; L85-S87 PolarHBondContact O-N 3.44Å; S87-N89 PolarHBondContact O-N 3.17Å; S87-H90 PolarHBondContact N-CD2 3.39Å; S87-H90 WeakPolarHBondContact O-CB 3.05Å; S87-H90 PolarHBondContact O-N 3.3Å; S87-H90 PolarHBondContact OG-CD2 3.46Å; S87-H90 PolarHBondContact OG-NE2 3.03Å
88	A	43	Very low	43.1	Very low	88 Å²	88	100.6 Å²	100.6	73%	0.727	55%	0.547	S	S	*	.	H	α-helix	trans	-51.7	-23.2	-178.5	0	0	0	0	0	113.4	L91	A88-L91 PolarHBondContact O-N 3.31Å
89	N	42.3	Very low	42.4	Very low	127 Å²	127	102.7 Å²	102.7	68%	0.679	56%	0.561	S	S	*	*	H	α-helix	trans	-70.5	-26.5	173	-70.4	-13	0	0	0	114.3	S87 L91 H92	S87-N89 PolarHBondContact O-N 3.17Å; N89-L91 VanDerWaalsContact C-N 3.34Å; N89-H92 PolarHBondContact O-N 3.17Å
90	H	42.5	Very low	41.7	Very low	100 Å²	100	104.9 Å²	104.9	46%	0.463	56%	0.559	S	S	.	*	H	α-helix	trans	-73.8	-23.5	175.5	-68.5	-51.6	0	0	0	113.1	M86 S87 H92 N93 L94	M86-H90 HydrophobicContact CB-CB 3.93Å; M86-H90 HydrophobicContact CG-CB 4.16Å; M86-H90 HydrophobicContact SD-CB 4.41Å; S87-H90 PolarHBondContact N-CD2 3.39Å; S87-H90 WeakPolarHBondContact O-CB 3.05Å; S87-H90 PolarHBondContact O-N 3.3Å; S87-H90 PolarHBondContact OG-CD2 3.46Å; S87-H90 PolarHBondContact OG-NE2 3.03Å; H90-H92 VanDerWaalsContact C-N 3.31Å; H90-H92 PolarHBondContact O-N 3Å; H90-N93 PolarHBondContact O-N 2.84Å; H90-L94 PolarHBondContact O-N 3.39Å
91	L	41	Very low	41.3	Very low	125 Å²	125	111.1 Å²	111.1	65%	0.654	59%	0.592	S	S	*	*	H	α-helix	trans	-67.9	-33.6	174.3	-139	85.3	0	0	0	111.8	A88 N89 N93 L94	A88-L91 PolarHBondContact O-N 3.31Å; N89-L91 VanDerWaalsContact C-N 3.34Å; L91-N93 VanDerWaalsContact C-N 3.34Å; L91-L94 HydrophobicContact CD1-CD1 4.44Å
92	H	36	Very low	40.8	Very low	161 Å²	161	114.9 Å²	114.9	75%	0.745	61%	0.61	S	S	*	*	H	α-helix	trans	-74.3	-24.7	176.2	-116.6	-77.8	0	0	0	113.1	N89 H90	N89-H92 PolarHBondContact O-N 3.17Å; H90-H92 VanDerWaalsContact C-N 3.31Å; H90-H92 PolarHBondContact O-N 3Å
93	N	35.4	Very low	40.4	Very low	101 Å²	101	109.4 Å²	109.4	54%	0.54	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-87.7	-0.3	178.3	-74.5	-17.7	0	0	0	114.1	H90 L91 K95 S96	H90-N93 PolarHBondContact O-N 2.84Å; L91-N93 VanDerWaalsContact C-N 3.34Å; N93-K95 PolarHBondContact O-N 3.25Å; N93-K95 VanDerWaalsContact O-N 3.09Å; N93-S96 PolarHBondContact O-N 3.49Å; N93-S96 PolarHBondContact O-OG 3.47Å; N93-S96 VanDerWaalsContact O-OG 3.1Å
94	L	35.3	Very low	40.6	Very low	107 Å²	107	116.9 Å²	116.9	56%	0.56	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-63.8	-10	170.4	-97.7	152.3	0	0	0	113.7	H90 L91 S96	H90-L94 PolarHBondContact O-N 3.39Å; L91-L94 HydrophobicContact CD1-CD1 4.44Å; L94-S96 VanDerWaalsContact C-N 3.29Å
95	K	34.2	Very low	40.4	Very low	200 Å²	200	118.9 Å²	118.9	87%	0.87	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-76.6	-5.6	168.1	-77.3	-173	176.7	-178.9	0	114.4	N93	N93-K95 PolarHBondContact O-N 3.25Å; N93-K95 VanDerWaalsContact O-N 3.09Å
96	S	40	Very low	40.2	Very low	74 Å²	74	116.9 Å²	116.9	52%	0.517	61%	0.606	S	S	.	*			trans	-103.1	75.9	170.7	69	0	0	0	0	110.9	N93 L94 N98	N93-S96 PolarHBondContact O-N 3.49Å; N93-S96 PolarHBondContact O-OG 3.47Å; N93-S96 VanDerWaalsContact O-OG 3.1Å; L94-S96 VanDerWaalsContact C-N 3.29Å; S96-N98 PolarHBondContact O-N 3.32Å
97	T	36.4	Very low	40.6	Very low	126 Å²	126	116.5 Å²	116.5	77%	0.773	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	22.3	-173.4	-5.4	0	0	0	0	116.6
98	N	38	Very low	41	Very low	125 Å²	125	118.7 Å²	118.7	67%	0.668	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	-20.1	179.8	-78.1	3.6	0	0	0	115.5	S96	S96-N98 PolarHBondContact O-N 3.32Å
99	N	40.6	Very low	41.4	Very low	114 Å²	114	118.3 Å²	118.3	61%	0.61	60%	0.603	S	S	*	*	S	Bend	trans	-98.4	-10.3	-171.7	-73.7	7.7	0	0	0	115.3
100	F	37.9	Very low	41.8	Very low	105 Å²	105	115 Å²	115	46%	0.461	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.8	-35.5	-176.8	-170.1	-103.6	0	0	0	112.6	M86 F106	M86-F100 HydrophobicContact CE-CE2 4.14Å; F100-F106 HydrophobicContact CD1-CD2 4.18Å; F100-F106 AromaticContact CD1-CE2 3.98Å; F100-F106 HydrophobicContact CD1-CE2 3.98Å; F100-F106 HydrophobicContact CD1-CZ 4.38Å; F100-F106 AromaticContact CE1-CD2 3.61Å; F100-F106 HydrophobicContact CE1-CD2 3.61Å; F100-F106 AromaticContact CE1-CE2 3.08Å; F100-F106 HydrophobicContact CE1-CE2 3.08Å; F100-F106 AromaticContact CE1-CZ 3.6Å; F100-F106 HydrophobicContact CE1-CZ 3.6Å; F100-F106 HydrophobicContact CE2-CD2 4.31Å; F100-F106 HydrophobicContact CE2-CE2 4.31Å; F100-F106 AromaticContact CZ-CD2 3.69Å; F100-F106 HydrophobicContact CZ-CD2 3.69Å; F100-F106 AromaticContact CZ-CE2 3.29Å; F100-F106 HydrophobicContact CZ-CE2 3.29Å; F100-F106 HydrophobicContact CZ-CZ 4.22Å
101	L	41.5	Very low	42.3	Very low	143 Å²	143	111.9 Å²	111.9	75%	0.749	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-18.3	179	-66.2	173	0	0	0	113.3	F106	L101-F106 HydrophobicContact CD2-CD1 4.47Å; L101-F106 HydrophobicContact CD2-CE1 4.29Å
102	E	42.3	Very low	42.9	Very low	153 Å²	153	106.7 Å²	106.7	72%	0.715	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-12	-176.4	-69.7	-164.5	171.7	0	0	114.2	E104	E102-E104 PolarHBondContact O-N 3.12Å
103	S	43.3	Very low	43.8	Very low	46 Å²	46	102.4 Å²	102.4	32%	0.322	53%	0.534	S	S	.	.			trans	-73.8	125.8	176.9	88.6	0	0	0	0	109.9	K105 F106	S103-K105 PolarHBondContact O-N 3.41Å; S103-F106 PolarHBondContact O-N 3.21Å; S103-F106 PolarHBondContact OG-N 2.92Å
104	E	47.2	Very low	44.7	Very low	205 Å²	205	99.5 Å²	99.5	96%	0.958	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-7.3	168.4	-66	-175.8	157.2	0	0	113.3	E102	E102-E104 PolarHBondContact O-N 3.12Å
105	K	42.7	Very low	45.5	Very low	170 Å²	170	95.7 Å²	95.7	74%	0.739	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-15.3	176.3	-60.6	-174.3	178.3	-177.8	0	113.4	W84 S103 N107	W84-K105 HydrophobicContact CH2-CB 4.34Å; W84-K105 HydrophobicContact CZ2-CB 4.08Å; S103-K105 PolarHBondContact O-N 3.41Å; K105-N107 PolarHBondContact O-N 2.83Å; K105-N107 VanDerWaalsContact O-N 3.08Å
106	F	41	Very low	46.5	Very low	46 Å²	46	87.2 Å²	87.2	20%	0.202	47%	0.465	C	S	.	.			trans	-81.3	87.7	177.7	-168.9	-100.6	0	0	0	110.2	F100 L101 S103 L108 I111	F100-F106 HydrophobicContact CD1-CD2 4.18Å; F100-F106 AromaticContact CD1-CE2 3.98Å; F100-F106 HydrophobicContact CD1-CE2 3.98Å; F100-F106 HydrophobicContact CD1-CZ 4.38Å; F100-F106 AromaticContact CE1-CD2 3.61Å; F100-F106 HydrophobicContact CE1-CD2 3.61Å; F100-F106 AromaticContact CE1-CE2 3.08Å; F100-F106 HydrophobicContact CE1-CE2 3.08Å; F100-F106 AromaticContact CE1-CZ 3.6Å; F100-F106 HydrophobicContact CE1-CZ 3.6Å; F100-F106 HydrophobicContact CE2-CD2 4.31Å; F100-F106 HydrophobicContact CE2-CE2 4.31Å; F100-F106 AromaticContact CZ-CD2 3.69Å; F100-F106 HydrophobicContact CZ-CD2 3.69Å; F100-F106 AromaticContact CZ-CE2 3.29Å; F100-F106 HydrophobicContact CZ-CE2 3.29Å; F100-F106 HydrophobicContact CZ-CZ 4.22Å; L101-F106 HydrophobicContact CD2-CD1 4.47Å; L101-F106 HydrophobicContact CD2-CE1 4.29Å; S103-F106 PolarHBondContact O-N 3.21Å; S103-F106 PolarHBondContact OG-N 2.92Å; F106-L108 HydrophobicContact CE1-CB 4.41Å; F106-L108 HydrophobicContact CE1-CD1 3.71Å; F106-L108 HydrophobicContact CZ-CD1 4Å; F106-I111 HydrophobicContact CD2-CD1 4.18Å; F106-I111 HydrophobicContact CE2-CD1 3.4Å; F106-I111 HydrophobicContact CZ-CD1 3.78Å
107	N	50.2	Low	47.2	Very low	85 Å²	85	91.4 Å²	91.4	46%	0.455	47%	0.474	S	S	.	.			trans	-95.8	98.9	173	-171.3	-17.5	0	0	0	109.5	K105 T109 A110 I111	K105-N107 PolarHBondContact O-N 2.83Å; K105-N107 VanDerWaalsContact O-N 3.08Å; N107-T109 PolarHBondContact O-N 3.39Å; N107-T109 VanDerWaalsContact O-N 3.11Å; N107-T109 WeakPolarHBondContact OD1-CA 3.49Å; N107-T109 WeakPolarHBondContact OD1-CB 3.46Å; N107-T109 PolarHBondContact OD1-N 2.96Å; N107-T109 PolarHBondContact OD1-OG1 3.02Å; N107-A110 HydrophobicContact CB-CB 3.9Å; N107-A110 WeakPolarHBondContact O-CA 3.39Å; N107-A110 WeakPolarHBondContact O-CB 3.34Å; N107-A110 PolarHBondContact O-N 3.48Å; N107-A110 PolarHBondContact OD1-N 2.89Å; N107-I111 PolarHBondContact O-N 3.16Å
108	L	49.8	Very low	48.2	Very low	91 Å²	91	92.1 Å²	92.1	48%	0.476	46%	0.462	S	S	.	.	H	α-helix	trans	-51.5	-35.5	175.7	-162.5	83.8	0	0	0	111.6	F106 A110 I111 I112	F106-L108 HydrophobicContact CE1-CB 4.41Å; F106-L108 HydrophobicContact CE1-CD1 3.71Å; F106-L108 HydrophobicContact CZ-CD1 4Å; L108-A110 PolarHBondContact O-N 3.49Å; L108-I111 PolarHBondContact O-N 3.4Å; L108-I112 HydrophobicContact CD1-CD1 4.32Å; L108-I112 HydrophobicContact CD2-CD1 3.68Å; L108-I112 HydrophobicContact CG-CD1 3.54Å; L108-I112 HydrophobicContact CG-CG1 4.35Å; L108-I112 VanDerWaalsContact O-CB 3.31Å; L108-I112 WeakPolarHBondContact O-CB 3.49Å; L108-I112 VanDerWaalsContact O-CG1 3.23Å; L108-I112 WeakPolarHBondContact O-CG1 3.21Å; L108-I112 PolarHBondContact O-N 3.29Å
109	T	51.3	Low	49.1	Very low	81 Å²	81	87.4 Å²	87.4	50%	0.497	44%	0.438	S	S	.	.	H	α-helix	trans	-62.4	-41.4	175.8	-31.2	0	0	0	0	111.6	N107 I111 I112 L113	N107-T109 PolarHBondContact O-N 3.39Å; N107-T109 VanDerWaalsContact O-N 3.11Å; N107-T109 WeakPolarHBondContact OD1-CA 3.49Å; N107-T109 WeakPolarHBondContact OD1-CB 3.46Å; N107-T109 PolarHBondContact OD1-N 2.96Å; N107-T109 PolarHBondContact OD1-OG1 3.02Å; T109-I111 VanDerWaalsContact C-N 3.27Å; T109-I111 PolarHBondContact O-N 2.64Å; T109-I112 PolarHBondContact O-N 2.92Å; T109-L113 HydrophobicContact CG2-CD1 3.41Å; T109-L113 VanDerWaalsContact CG2-CD1 3.41Å; T109-L113 HydrophobicContact CG2-CG 4.2Å; T109-L113 VanDerWaalsContact O-CB 3.26Å; T109-L113 WeakPolarHBondContact O-CB 3.45Å; T109-L113 WeakPolarHBondContact O-CD1 3.49Å; T109-L113 WeakPolarHBondContact O-CG 3.31Å; T109-L113 PolarHBondContact O-N 3.02Å
110	A	50.9	Low	50.2	Low	56 Å²	56	86.7 Å²	86.7	46%	0.463	43%	0.434	S	S	.	.	H	α-helix	trans	-67	-28.4	179.5	0	0	0	0	0	112.7	N107 L108 P114	N107-A110 HydrophobicContact CB-CB 3.9Å; N107-A110 WeakPolarHBondContact O-CA 3.39Å; N107-A110 WeakPolarHBondContact O-CB 3.34Å; N107-A110 PolarHBondContact O-N 3.48Å; N107-A110 PolarHBondContact OD1-N 2.89Å; L108-A110 PolarHBondContact O-N 3.49Å; A110-P114 WeakPolarHBondContact O-CD 3.43Å; A110-P114 WeakPolarHBondContact O-CG 3.41Å
111	I	53	Low	51.1	Low	35 Å²	35	82.5 Å²	82.5	18%	0.179	42%	0.419	C	S	.	.	H	α-helix	trans	-78.5	-42.1	174.6	-64.9	175.7	0	0	0	110.9	F81 F106 N107 L108 T109 L115	F81-I111 HydrophobicContact CD1-CD1 4.39Å; F81-I111 HydrophobicContact CD1-CG1 3.94Å; F81-I111 HydrophobicContact CD1-CG2 4.47Å; F81-I111 HydrophobicContact CE1-CB 4.15Å; F81-I111 HydrophobicContact CE1-CD1 3.99Å; F81-I111 HydrophobicContact CE1-CG1 3.73Å; F81-I111 HydrophobicContact CE1-CG2 3.56Å; F81-I111 HydrophobicContact CZ-CG2 4.19Å; F106-I111 HydrophobicContact CD2-CD1 4.18Å; F106-I111 HydrophobicContact CE2-CD1 3.4Å; F106-I111 HydrophobicContact CZ-CD1 3.78Å; N107-I111 PolarHBondContact O-N 3.16Å; L108-I111 PolarHBondContact O-N 3.4Å; T109-I111 VanDerWaalsContact C-N 3.27Å; T109-I111 PolarHBondContact O-N 2.64Å; I111-L115 HydrophobicContact CG2-CD1 4.47Å
112	I	54.9	Low	51.9	Low	16 Å²	16	75.8 Å²	75.8	8%	0.082	38%	0.384	C	S	.	.	H	α-helix	trans	-80.6	-34.9	-170.6	-70.7	175.5	0	0	0	112.1	L108 T109 L115 L116 T122 F124 F125	L108-I112 HydrophobicContact CD1-CD1 4.32Å; L108-I112 HydrophobicContact CD2-CD1 3.68Å; L108-I112 HydrophobicContact CG-CD1 3.54Å; L108-I112 HydrophobicContact CG-CG1 4.35Å; L108-I112 VanDerWaalsContact O-CB 3.31Å; L108-I112 WeakPolarHBondContact O-CB 3.49Å; L108-I112 VanDerWaalsContact O-CG1 3.23Å; L108-I112 WeakPolarHBondContact O-CG1 3.21Å; L108-I112 PolarHBondContact O-N 3.29Å; T109-I112 PolarHBondContact O-N 2.92Å; I112-L115 PolarHBondContact O-N 3.34Å; I112-L116 HydrophobicContact CG2-CD1 3.48Å; I112-L116 VanDerWaalsContact CG2-CD1 3.48Å; I112-L116 HydrophobicContact CG2-CG 3.98Å; I112-L116 WeakPolarHBondContact O-CB 3.28Å; I112-L116 WeakPolarHBondContact O-CG 3.36Å; I112-L116 PolarHBondContact O-N 2.95Å; I112-T122 HydrophobicContact CG2-CG2 4.29Å; I112-F124 HydrophobicContact CD1-CD2 4.41Å; I112-F125 HydrophobicContact CD1-CE1 4.15Å; I112-F125 HydrophobicContact CG2-CE1 3.74Å; I112-F125 HydrophobicContact CG2-CE2 4.2Å; I112-F125 HydrophobicContact CG2-CZ 3.29Å
113	L	54	Low	52.4	Low	71 Å²	71	70.3 Å²	70.3	37%	0.372	36%	0.362	S	S	.	.	H	α-helix	trans	-57.7	-50.3	-179.2	-92.8	153	0	0	0	113.5	T109 L115 L116 F117	T109-L113 HydrophobicContact CG2-CD1 3.41Å; T109-L113 VanDerWaalsContact CG2-CD1 3.41Å; T109-L113 HydrophobicContact CG2-CG 4.2Å; T109-L113 VanDerWaalsContact O-CB 3.26Å; T109-L113 WeakPolarHBondContact O-CB 3.45Å; T109-L113 WeakPolarHBondContact O-CD1 3.49Å; T109-L113 WeakPolarHBondContact O-CG 3.31Å; T109-L113 PolarHBondContact O-N 3.02Å; L113-L115 VanDerWaalsContact C-N 3.32Å; L113-L115 PolarHBondContact O-N 3.38Å; L113-L116 WeakPolarHBondContact O-CB 3.32Å; L113-L116 PolarHBondContact O-N 3.39Å; L113-F117 HydrophobicContact CB-CE2 4.43Å; L113-F117 HydrophobicContact CD2-CD2 4.26Å; L113-F117 HydrophobicContact CD2-CE2 3.41Å; L113-F117 VanDerWaalsContact CD2-CE2 3.41Å; L113-F117 HydrophobicContact CD2-CZ 3.97Å; L113-F117 WeakPolarHBondContact O-CD2 3.29Å; L113-F117 PolarHBondContact O-N 3.34Å
114	P	53.9	Low	52.9	Low	40 Å²	40	75.1 Å²	75.1	26%	0.26	38%	0.377	S	S	.	.	H	α-helix	trans	-63.8	-36.1	178.5	-22	32.9	0	0	0	113.1	A110 F117 R118	A110-P114 WeakPolarHBondContact O-CD 3.43Å; A110-P114 WeakPolarHBondContact O-CG 3.41Å; P114-F117 PolarHBondContact O-N 3.48Å; P114-R118 WeakPolarHBondContact O-CB 3.24Å; P114-R118 PolarHBondContact O-N 3.4Å
115	L	51.6	Low	53.6	Low	27 Å²	27	67.9 Å²	67.9	14%	0.141	34%	0.343	C	S	.	.	H	α-helix	trans	-66.9	-42.6	176.4	-80.7	164.2	0	0	0	111.4	I80 I111 I112 L113 R118 T119 T122 M158	I80-L115 HydrophobicContact CD1-CD2 4.38Å; I111-L115 HydrophobicContact CG2-CD1 4.47Å; I112-L115 PolarHBondContact O-N 3.34Å; L113-L115 VanDerWaalsContact C-N 3.32Å; L113-L115 PolarHBondContact O-N 3.38Å; L115-R118 PolarHBondContact O-N 3.49Å; L115-T119 PolarHBondContact O-N 3.41Å; L115-T119 VanDerWaalsContact O-N 3.1Å; L115-T119 PolarHBondContact O-OG1 3.17Å; L115-T122 HydrophobicContact CB-CG2 3.96Å; L115-M158 HydrophobicContact CD2-CE 4.04Å
116	L	56.1	Low	54.8	Low	23 Å²	23	61.9 Å²	61.9	12%	0.12	32%	0.319	C	S	.	.	H	α-helix	trans	-57.3	-49.5	173.1	-83.2	162.8	0	0	0	112	I112 L113 R118 D120 T122 F125 F127	I112-L116 HydrophobicContact CG2-CD1 3.48Å; I112-L116 VanDerWaalsContact CG2-CD1 3.48Å; I112-L116 HydrophobicContact CG2-CG 3.98Å; I112-L116 WeakPolarHBondContact O-CB 3.28Å; I112-L116 WeakPolarHBondContact O-CG 3.36Å; I112-L116 PolarHBondContact O-N 2.95Å; L113-L116 WeakPolarHBondContact O-CB 3.32Å; L113-L116 PolarHBondContact O-N 3.39Å; L116-R118 VanDerWaalsContact C-N 3.26Å; L116-R118 PolarHBondContact O-N 3.37Å; L116-D120 WeakPolarHBondContact O-CA 3.33Å; L116-D120 PolarHBondContact O-N 3.15Å; L116-D120 VanDerWaalsContact O-N 3.15Å; L116-T122 HydrophobicContact CD2-CG2 4.29Å; L116-T122 HydrophobicContact CG-CG2 4.01Å; L116-F125 HydrophobicContact CD1-CE2 3.55Å; L116-F125 HydrophobicContact CD1-CZ 3.79Å; L116-F125 HydrophobicContact CD2-CD2 3.87Å; L116-F125 HydrophobicContact CD2-CE2 3.42Å; L116-F125 VanDerWaalsContact CD2-CE2 3.42Å; L116-F125 HydrophobicContact CD2-CZ 4.35Å; L116-F125 HydrophobicContact CG-CE2 3.86Å; L116-F125 HydrophobicContact CG-CZ 4.34Å; L116-F127 HydrophobicContact CD2-CB 3.23Å; L116-F127 HydrophobicContact CD2-CD1 4.31Å; L116-F127 HydrophobicContact CD2-CG 3.85Å
117	F	55.4	Low	56	Low	162 Å²	162	62.9 Å²	62.9	71%	0.711	32%	0.323	S	S	*	.	H	α-helix	trans	-69.2	-20.5	-177.9	-73.3	-59.7	0	0	0	114.3	L113 P114	L113-F117 HydrophobicContact CB-CE2 4.43Å; L113-F117 HydrophobicContact CD2-CD2 4.26Å; L113-F117 HydrophobicContact CD2-CE2 3.41Å; L113-F117 VanDerWaalsContact CD2-CE2 3.41Å; L113-F117 HydrophobicContact CD2-CZ 3.97Å; L113-F117 WeakPolarHBondContact O-CD2 3.29Å; L113-F117 PolarHBondContact O-N 3.34Å; P114-F117 PolarHBondContact O-N 3.48Å
118	R	56.1	Low	56.9	Low	141 Å²	141	59.5 Å²	59.5	53%	0.532	31%	0.309	S	S	.	.	H	α-helix	trans	-95.4	-30.3	-178.2	-82.6	-174.3	172.7	-169.4	-0.1	114.7	P114 L115 L116	P114-R118 WeakPolarHBondContact O-CB 3.24Å; P114-R118 PolarHBondContact O-N 3.4Å; L115-R118 PolarHBondContact O-N 3.49Å; L116-R118 VanDerWaalsContact C-N 3.26Å; L116-R118 PolarHBondContact O-N 3.37Å
119	T	58.6	Low	57.7	Low	26 Å²	26	60.7 Å²	60.7	16%	0.16	31%	0.314	C	S	.	.	H	α-helix	trans	-126.3	-4.7	-166.7	58.1	0	0	0	0	113.7	L115 A121 A154	L115-T119 PolarHBondContact O-N 3.41Å; L115-T119 VanDerWaalsContact O-N 3.1Å; L115-T119 PolarHBondContact O-OG1 3.17Å; T119-A121 PolarHBondContact O-N 3.02Å; T119-A121 PolarHBondContact OG1-N 2.99Å; T119-A121 PolarHBondContact OG1-O 3.23Å; T119-A154 HydrophobicContact CG2-CB 4.04Å
120	D	63.1	Low	58.4	Low	98 Å²	98	62.5 Å²	62.5	52%	0.524	31%	0.312	S	S	.	.	S	Bend	trans	55	-4.7	-166.6	-57.4	-29.3	0	0	0	112.9	L116 F127	L116-D120 WeakPolarHBondContact O-CA 3.33Å; L116-D120 PolarHBondContact O-N 3.15Å; L116-D120 VanDerWaalsContact O-N 3.15Å; D120-F127 WeakPolarHBondContact CB-O 3.37Å; D120-F127 CarbonylContact O-C 3.57Å; D120-F127 WeakPolarHBondContact O-CA 3.49Å; D120-F127 PolarHBondContact O-N 3.27Å
121	A	56.6	Low	58.7	Low	18 Å²	18	66.9 Å²	66.9	15%	0.149	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-148.8	128.6	-172.3	0	0	0	0	0	113.6	T119 D126 A150	T119-A121 PolarHBondContact O-N 3.02Å; T119-A121 PolarHBondContact OG1-N 2.99Å; T119-A121 PolarHBondContact OG1-O 3.23Å; A121-D126 HydrophobicContact CB-CB 4.01Å; A121-A150 HydrophobicContact CB-CB 3.91Å
122	T	56.9	Low	58.8	Low	1 Å²	1	68.8 Å²	68.8	1%	0.006	33%	0.331	C	S	.	.			trans	-108	167	173.1	74	0	0	0	0	110.5	I112 L115 L116 F124 F125 G146	I112-T122 HydrophobicContact CG2-CG2 4.29Å; L115-T122 HydrophobicContact CB-CG2 3.96Å; L116-T122 HydrophobicContact CD2-CG2 4.29Å; L116-T122 HydrophobicContact CG-CG2 4.01Å; T122-F124 PolarHBondContact O-N 3.39Å; T122-F124 PolarHBondContact OG1-N 2.94Å; T122-F125 PolarHBondContact N-O 3.29Å; T122-F125 PolarHBondContact O-N 3.45Å; T122-F125 PolarHBondContact OG1-N 3.36Å; T122-F125 PolarHBondContact OG1-O 3.22Å; T122-G146 VanDerWaalsContact O-CA 3.31Å; T122-G146 WeakPolarHBondContact O-CA 3.24Å
123	P	54.5	Low	58.8	Low	39 Å²	39	79.9 Å²	79.9	25%	0.253	37%	0.374	S	S	.	.	S	Bend	trans	-58.5	-26.8	172.8	-23.6	34.7	0	0	0	113.2	G146 F151	P123-G146 CarbonylContact O-C 3.39Å; P123-G146 WeakPolarHBondContact O-CA 3.44Å; P123-F151 HydrophobicContact CG-CB 3.97Å; P123-F151 HydrophobicContact CG-CD2 3.32Å; P123-F151 HydrophobicContact CG-CE2 4.15Å; P123-F151 HydrophobicContact CG-CG 4.04Å
124	F	53.8	Low	58.9	Low	146 Å²	146	83.2 Å²	83.2	64%	0.64	39%	0.388	S	S	*	.	S	Bend	trans	-88.8	-39	-177	-55.7	-70.8	0	0	0	111.5	I112 T122 G146	I112-F124 HydrophobicContact CD1-CD2 4.41Å; T122-F124 PolarHBondContact O-N 3.39Å; T122-F124 PolarHBondContact OG1-N 2.94Å; F124-G146 PolarHBondContact O-N 2.9Å
125	F	62	Low	58.9	Low	53 Å²	53	87.5 Å²	87.5	23%	0.232	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	143.2	-179.5	55.9	-87.1	0	0	0	114.1	I112 L116 T122 I143 R144 G146	I112-F125 HydrophobicContact CD1-CE1 4.15Å; I112-F125 HydrophobicContact CG2-CE1 3.74Å; I112-F125 HydrophobicContact CG2-CE2 4.2Å; I112-F125 HydrophobicContact CG2-CZ 3.29Å; L116-F125 HydrophobicContact CD1-CE2 3.55Å; L116-F125 HydrophobicContact CD1-CZ 3.79Å; L116-F125 HydrophobicContact CD2-CD2 3.87Å; L116-F125 HydrophobicContact CD2-CE2 3.42Å; L116-F125 VanDerWaalsContact CD2-CE2 3.42Å; L116-F125 HydrophobicContact CD2-CZ 4.35Å; L116-F125 HydrophobicContact CG-CE2 3.86Å; L116-F125 HydrophobicContact CG-CZ 4.34Å; T122-F125 PolarHBondContact N-O 3.29Å; T122-F125 PolarHBondContact O-N 3.45Å; T122-F125 PolarHBondContact OG1-N 3.36Å; T122-F125 PolarHBondContact OG1-O 3.22Å; F125-I143 HydrophobicContact CB-CG2 4.01Å; F125-I143 HydrophobicContact CD2-CG2 4.31Å; F125-I143 HydrophobicContact CG-CG2 4.45Å; F125-R144 CarbonylContact C-O 3.49Å; F125-R144 WeakPolarHBondContact CA-O 3.39Å; F125-R144 WeakPolarHBondContact CB-O 3.48Å; F125-G146 VanDerWaalsContact CA-N 3.31Å
126	D	67.8	Low	59.1	Low	45 Å²	45	90.9 Å²	90.9	24%	0.241	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.9	167	178.5	19.8	0	0	0	109.1	A121 I143 R144	A121-D126 HydrophobicContact CB-CB 4.01Å; D126-I143 CarbonylContact O-C 3.43Å; D126-I143 WeakPolarHBondContact O-CA 3.44Å; D126-R144 HydrophobicContact CB-CB 4.37Å; D126-R144 PolarHBondContact N-O 2.99Å; D126-R144 PolarHBondContact O-N 3.28Å
127	F	66.1	Low	59.2	Low	66 Å²	66	97.1 Å²	97.1	29%	0.289	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	117.7	-177	171.4	-90.3	0	0	0	108.9	L116 D120 I141 H142 I143	L116-F127 HydrophobicContact CD2-CB 3.23Å; L116-F127 HydrophobicContact CD2-CD1 4.31Å; L116-F127 HydrophobicContact CD2-CG 3.85Å; D120-F127 WeakPolarHBondContact CB-O 3.37Å; D120-F127 CarbonylContact O-C 3.57Å; D120-F127 WeakPolarHBondContact O-CA 3.49Å; D120-F127 PolarHBondContact O-N 3.27Å; F127-I141 HydrophobicContact CD2-CG2 3.9Å; F127-I141 HydrophobicContact CE2-CG2 3.38Å; F127-I141 HydrophobicContact CZ-CG2 4.18Å; F127-H142 WeakPolarHBondContact CA-O 3.44Å; F127-I143 HydrophobicContact CD2-CG1 4.34Å
128	G	68.7	Low	59.4	Low	15 Å²	15	92.8 Å²	92.8	16%	0.155	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	151.6	176.1	0	0	0	0	0	111.9	H142	G128-H142 PolarHBondContact N-O 3.48Å; G128-H142 WeakPolarHBondContact O-CB 3.36Å; G128-H142 PolarHBondContact O-N 3Å
129	I	65.8	Low	59.9	Low	116 Å²	116	89.6 Å²	89.6	60%	0.595	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	119.6	168.9	-61.2	178.3	0	0	0	107.5	P139	I129-P139 HydrophobicContact CG2-CB 3.32Å; I129-P139 HydrophobicContact CG2-CG 4.45Å
130	R	65.5	Low	60.2	Low	119 Å²	119	91.2 Å²	91.2	45%	0.449	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	143.1	175.8	-61.8	-160.8	-172.5	-117.3	1.9	110.7	V140	R130-V140 PolarHBondContact N-O 3.32Å; R130-V140 PolarHBondContact O-N 3.47Å
131	F	57.9	Low	60.7	Low	148 Å²	148	91.7 Å²	91.7	65%	0.649	47%	0.469	S	S	*	.			trans	-76.7	124.8	166.5	-63	-82.9	0	0	0	107.6	P139	F131-P139 HydrophobicContact CD1-CB 4.42Å; F131-P139 HydrophobicContact CE1-CB 4.02Å; F131-P139 HydrophobicContact CE1-CG 4.27Å; F131-P139 HydrophobicContact CZ-CB 4.33Å
132	N	55.7	Low	61.4	Low	74 Å²	74	93.8 Å²	93.8	40%	0.396	48%	0.475	S	S	.	.			trans	-66.3	144.9	170.8	-90.7	-16.9	0	0	0	108.9	Q134	N132-Q134 PolarHBondContact O-N 3.24Å; N132-Q134 VanDerWaalsContact O-O 3.13Å
133	Y	55.7	Low	62.1	Low	249 Å²	249	99.1 Å²	99.1	98%	0.976	50%	0.503	S	S	*	.	S	Bend	trans	-67	4.6	172.5	-76.6	-85.1	0	0	0	113.4
134	Q	55.1	Low	63	Low	142 Å²	142	102.3 Å²	102.3	66%	0.664	51%	0.51	S	S	*	.	S	Bend	trans	-95.9	149.9	172.4	-75.6	-169	-17.2	0	0	110.1	N132 V136	N132-Q134 PolarHBondContact O-N 3.24Å; N132-Q134 VanDerWaalsContact O-O 3.13Å; Q134-V136 PolarHBondContact O-N 2.87Å
135	P	54.7	Low	63.5	Low	130 Å²	130	101.1 Å²	101.1	84%	0.844	52%	0.516	S	S	*	.	S	Bend	trans	-76.6	37.1	-167.5	34.1	-37.2	0	0	0	113.5
136	V	55.4	Low	63.6	Low	97 Å²	97	99.6 Å²	99.6	59%	0.588	52%	0.516	S	S	*	.			trans	-101.7	106.8	169.3	-168.8	0	0	0	0	105.8	Q134 S138	Q134-V136 PolarHBondContact O-N 2.87Å; V136-S138 PolarHBondContact O-N 2.96Å
137	D	58	Low	63.5	Low	155 Å²	155	100.2 Å²	100.2	83%	0.829	52%	0.524	S	S	*	.			trans	-62.1	20.4	-178.7	-73.7	-38.5	0	0	0	114.6
138	S	60.3	Low	63	Low	70 Å²	70	103.8 Å²	103.8	49%	0.49	55%	0.545	S	S	.	.			trans	-101.2	117.7	179.6	-63.2	0	0	0	0	110.2	V136 V140	V136-S138 PolarHBondContact O-N 2.96Å; S138-V140 WeakPolarHBondContact O-CG2 3.23Å; S138-V140 PolarHBondContact O-N 3.08Å
139	P	66	Low	62.6	Low	74 Å²	74	108.1 Å²	108.1	48%	0.481	57%	0.565	S	S	.	*			trans	-57.7	132.6	169.7	17.5	-24.7	0	0	0	109.9	I129 F131	I129-P139 HydrophobicContact CG2-CB 3.32Å; I129-P139 HydrophobicContact CG2-CG 4.45Å; F131-P139 HydrophobicContact CD1-CB 4.42Å; F131-P139 HydrophobicContact CE1-CB 4.02Å; F131-P139 HydrophobicContact CE1-CG 4.27Å; F131-P139 HydrophobicContact CZ-CB 4.33Å
140	V	65.6	Low	61.9	Low	60 Å²	60	103.1 Å²	103.1	36%	0.364	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.4	-179.3	-159.2	0	0	0	0	109.2	R130 S138 H142	R130-V140 PolarHBondContact N-O 3.32Å; R130-V140 PolarHBondContact O-N 3.47Å; S138-V140 WeakPolarHBondContact O-CG2 3.23Å; S138-V140 PolarHBondContact O-N 3.08Å; V140-H142 PolarHBondContact O-N 2.86Å
141	I	72.4	Confident	60.9	Low	108 Å²	108	103.3 Å²	103.3	55%	0.554	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	118.7	171.7	-65.6	173.1	0	0	0	108	F127 I143	F127-I141 HydrophobicContact CD2-CG2 3.9Å; F127-I141 HydrophobicContact CE2-CG2 3.38Å; F127-I141 HydrophobicContact CZ-CG2 4.18Å; I141-I143 HydrophobicContact CG2-CG1 4.2Å
142	H	70.6	Confident	60.5	Low	62 Å²	62	100.2 Å²	100.2	29%	0.287	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.6	174.2	-116.4	-78.6	0	0	0	109.7	F127 G128 V140	F127-H142 WeakPolarHBondContact CA-O 3.44Å; G128-H142 PolarHBondContact N-O 3.48Å; G128-H142 WeakPolarHBondContact O-CB 3.36Å; G128-H142 PolarHBondContact O-N 3Å; V140-H142 PolarHBondContact O-N 2.86Å
143	I	72	Confident	60.2	Low	113 Å²	113	103.6 Å²	103.6	58%	0.579	55%	0.546	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.2	170.3	-55.4	175.3	0	0	0	107.1	F125 D126 F127 I141	F125-I143 HydrophobicContact CB-CG2 4.01Å; F125-I143 HydrophobicContact CD2-CG2 4.31Å; F125-I143 HydrophobicContact CG-CG2 4.45Å; D126-I143 CarbonylContact O-C 3.43Å; D126-I143 WeakPolarHBondContact O-CA 3.44Å; F127-I143 HydrophobicContact CD2-CG1 4.34Å; I141-I143 HydrophobicContact CG2-CG1 4.2Å
144	R	73.5	Confident	59.8	Low	107 Å²	107	92 Å²	92	40%	0.404	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	156.2	176.7	-62.7	-178.4	-167.9	176.9	0.8	110.1	F125 D126 G146	F125-R144 CarbonylContact C-O 3.49Å; F125-R144 WeakPolarHBondContact CA-O 3.39Å; F125-R144 WeakPolarHBondContact CB-O 3.48Å; D126-R144 HydrophobicContact CB-CB 4.37Å; D126-R144 PolarHBondContact N-O 2.99Å; D126-R144 PolarHBondContact O-N 3.28Å; R144-G146 PolarHBondContact O-N 3.48Å
145	P	65.3	Low	59.4	Low	120 Å²	120	92.2 Å²	92.2	78%	0.779	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.4	133.7	170.4	-23.4	33.2	0	0	0	110.5
146	G	64.6	Low	58.7	Low	22 Å²	22	92.2 Å²	92.2	23%	0.227	49%	0.493	C	S	.	.			trans	-68.1	163.2	177.4	0	0	0	0	0	110.6	T122 P123 F124 F125 R144	T122-G146 VanDerWaalsContact O-CA 3.31Å; T122-G146 WeakPolarHBondContact O-CA 3.24Å; P123-G146 CarbonylContact O-C 3.39Å; P123-G146 WeakPolarHBondContact O-CA 3.44Å; F124-G146 PolarHBondContact O-N 2.9Å; F125-G146 VanDerWaalsContact CA-N 3.31Å; R144-G146 PolarHBondContact O-N 3.48Å
147	S	64.4	Low	58.2	Low	57 Å²	57	91.5 Å²	91.5	40%	0.399	49%	0.486	S	S	.	.			trans	-114.9	147.7	172.3	171.3	0	0	0	0	109.1	D149 A150	S147-D149 PolarHBondContact O-N 3.05Å; S147-D149 VanDerWaalsContact O-N 3.17Å; S147-D149 WeakPolarHBondContact OG-CB 3.41Å; S147-D149 PolarHBondContact OG-N 2.69Å; S147-A150 WeakPolarHBondContact O-CA 3.42Å; S147-A150 WeakPolarHBondContact O-CB 3.36Å; S147-A150 PolarHBondContact O-N 2.88Å
148	L	56.8	Low	57.4	Low	141 Å²	141	86.4 Å²	86.4	74%	0.738	46%	0.458	S	S	*	.	H	α-helix	trans	-57.2	-27.1	167.9	-136.7	81.2	0	0	0	111.3	A150 F151 N152	L148-A150 PolarHBondContact O-N 2.91Å; L148-F151 VanDerWaalsContact O-CB 3.3Å; L148-F151 WeakPolarHBondContact O-CB 3.48Å; L148-F151 PolarHBondContact O-N 3.37Å; L148-F151 VanDerWaalsContact O-N 3.1Å; L148-N152 PolarHBondContact O-N 3.42Å
149	D	59.9	Low	56.4	Low	107 Å²	107	86.6 Å²	86.6	57%	0.572	46%	0.456	S	S	*	.	H	α-helix	trans	-64.2	-24.4	171.9	-71.6	-28.3	0	0	0	113.1	S147 F151 N152 K153	S147-D149 PolarHBondContact O-N 3.05Å; S147-D149 VanDerWaalsContact O-N 3.17Å; S147-D149 WeakPolarHBondContact OG-CB 3.41Å; S147-D149 PolarHBondContact OG-N 2.69Å; D149-F151 VanDerWaalsContact C-N 3.3Å; D149-N152 PolarHBondContact O-N 3.48Å; D149-K153 WeakPolarHBondContact O-CB 3.45Å; D149-K153 PolarHBondContact O-N 3.22Å
150	A	50.9	Low	55.1	Low	10 Å²	10	92.3 Å²	92.3	8%	0.083	47%	0.468	C	S	.	.	H	α-helix	trans	-67.6	-33.9	173.8	0	0	0	0	0	111	A121 S147 L148 K153 A154	A121-A150 HydrophobicContact CB-CB 3.91Å; S147-A150 WeakPolarHBondContact O-CA 3.42Å; S147-A150 WeakPolarHBondContact O-CB 3.36Å; S147-A150 PolarHBondContact O-N 2.88Å; L148-A150 PolarHBondContact O-N 2.91Å; A150-K153 PolarHBondContact O-N 2.7Å; A150-A154 VanDerWaalsContact O-CB 3.28Å; A150-A154 WeakPolarHBondContact O-CB 3.39Å; A150-A154 PolarHBondContact O-N 3.12Å
151	F	45.2	Very low	54.6	Low	124 Å²	124	94 Å²	94	54%	0.544	47%	0.473	S	S	.	.	H	α-helix	trans	-65.4	-40.5	171.8	-153.6	-109.5	0	0	0	111.4	P123 L148 D149 A154 K155	P123-F151 HydrophobicContact CG-CB 3.97Å; P123-F151 HydrophobicContact CG-CD2 3.32Å; P123-F151 HydrophobicContact CG-CE2 4.15Å; P123-F151 HydrophobicContact CG-CG 4.04Å; L148-F151 VanDerWaalsContact O-CB 3.3Å; L148-F151 WeakPolarHBondContact O-CB 3.48Å; L148-F151 PolarHBondContact O-N 3.37Å; L148-F151 VanDerWaalsContact O-N 3.1Å; D149-F151 VanDerWaalsContact C-N 3.3Å; F151-A154 PolarHBondContact O-N 3.38Å; F151-K155 PolarHBondContact O-N 3.24Å
152	N	48.3	Very low	53.6	Low	82 Å²	82	93.2 Å²	93.2	44%	0.439	47%	0.469	S	S	.	.	H	α-helix	trans	-68.5	-39	176	-69.8	-29.7	0	0	0	112.4	L148 D149 K155 L156	L148-N152 PolarHBondContact O-N 3.42Å; D149-N152 PolarHBondContact O-N 3.48Å; N152-K155 VanDerWaalsContact O-CB 3.26Å; N152-K155 WeakPolarHBondContact O-CB 3.46Å; N152-K155 PolarHBondContact O-N 3.31Å; N152-L156 WeakPolarHBondContact O-CG 3.5Å; N152-L156 PolarHBondContact O-N 3.43Å
153	K	49.8	Very low	52.7	Low	145 Å²	145	94.9 Å²	94.9	63%	0.63	48%	0.479	S	S	*	.	H	α-helix	trans	-66.8	-39.6	173.5	-93	-176.1	175.7	178.9	0	112.7	D149 A150 K155 L156 N157	D149-K153 WeakPolarHBondContact O-CB 3.45Å; D149-K153 PolarHBondContact O-N 3.22Å; A150-K153 PolarHBondContact O-N 2.7Å; K153-K155 VanDerWaalsContact C-N 3.31Å; K153-L156 PolarHBondContact O-N 3.13Å; K153-N157 PolarHBondContact O-N 2.79Å
154	A	47.7	Very low	51.6	Low	6 Å²	6	93.9 Å²	93.9	5%	0.05	47%	0.473	C	S	.	.	H	α-helix	trans	-56.2	-52.8	170.4	0	0	0	0	0	108	T119 A150 F151 L156 N157 M158	T119-A154 HydrophobicContact CG2-CB 4.04Å; A150-A154 VanDerWaalsContact O-CB 3.28Å; A150-A154 WeakPolarHBondContact O-CB 3.39Å; A150-A154 PolarHBondContact O-N 3.12Å; F151-A154 PolarHBondContact O-N 3.38Å; A154-L156 VanDerWaalsContact C-N 3.26Å; A154-L156 PolarHBondContact O-N 2.96Å; A154-L156 VanDerWaalsContact O-N 3.12Å; A154-N157 PolarHBondContact O-N 3.15Å; A154-N157 VanDerWaalsContact O-N 3.14Å; A154-M158 HydrophobicContact CB-CE 3.98Å; A154-M158 WeakPolarHBondContact O-CG 3.47Å; A154-M158 PolarHBondContact O-N 2.82Å; A154-M158 VanDerWaalsContact O-N 3.12Å
155	K	46.1	Very low	50.2	Low	147 Å²	147	93.1 Å²	93.1	64%	0.639	48%	0.477	S	S	*	.	H	α-helix	trans	-51.3	-39.1	174.3	-131.7	-177.8	-177.6	-175.5	0	114.5	F151 N152 K153	F151-K155 PolarHBondContact O-N 3.24Å; N152-K155 VanDerWaalsContact O-CB 3.26Å; N152-K155 WeakPolarHBondContact O-CB 3.46Å; N152-K155 PolarHBondContact O-N 3.31Å; K153-K155 VanDerWaalsContact C-N 3.31Å
156	L	40.6	Very low	49.2	Very low	129 Å²	129	91.3 Å²	91.3	68%	0.675	46%	0.457	S	S	*	.	H	α-helix	trans	-77.5	-34.2	-179.6	-73.9	163.4	0	0	0	114	N152 K153 A154 M158	N152-L156 WeakPolarHBondContact O-CG 3.5Å; N152-L156 PolarHBondContact O-N 3.43Å; K153-L156 PolarHBondContact O-N 3.13Å; A154-L156 VanDerWaalsContact C-N 3.26Å; A154-L156 PolarHBondContact O-N 2.96Å; A154-L156 VanDerWaalsContact O-N 3.12Å; L156-M158 VanDerWaalsContact C-N 3.26Å; L156-M158 PolarHBondContact O-N 2.96Å
157	N	44.3	Very low	48.1	Very low	83 Å²	83	96.2 Å²	96.2	44%	0.444	47%	0.473	S	S	.	.	H	α-helix	trans	-77.7	-12.6	175.1	-80.6	-17	0	0	0	113	K153 A154	K153-N157 PolarHBondContact O-N 2.79Å; A154-N157 PolarHBondContact O-N 3.15Å; A154-N157 VanDerWaalsContact O-N 3.14Å
158	M	42.1	Very low	46.8	Very low	48 Å²	48	99.2 Å²	99.2	24%	0.236	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-9.8	177.4	-67.4	-179.2	-179.1	0	0	113.8	M76 I80 L115 A154 L156 R160	M76-M158 HydrophobicContact CE-CB 3.91Å; M76-M158 HydrophobicContact CE-CE 3.46Å; M76-M158 VanDerWaalsContact CE-CE 3.46Å; M76-M158 HydrophobicContact CE-CG 3.14Å; M76-M158 HydrophobicContact CE-SD 3.23Å; M76-M158 WeakPolarHBondContact CE-SD 3.46Å; M76-M158 HydrophobicContact SD-CB 3.37Å; M76-M158 WeakPolarHBondContact SD-CB 3.06Å; M76-M158 HydrophobicContact SD-CG 3.27Å; M76-M158 WeakPolarHBondContact SD-CG 3.41Å; M76-M158 HydrophobicContact SD-SD 4.07Å; I80-M158 HydrophobicContact CD1-CE 3.47Å; I80-M158 VanDerWaalsContact CD1-CE 3.47Å; I80-M158 HydrophobicContact CD1-SD 4.49Å; L115-M158 HydrophobicContact CD2-CE 4.04Å; A154-M158 HydrophobicContact CB-CE 3.98Å; A154-M158 WeakPolarHBondContact O-CG 3.47Å; A154-M158 PolarHBondContact O-N 2.82Å; A154-M158 VanDerWaalsContact O-N 3.12Å; L156-M158 VanDerWaalsContact C-N 3.26Å; L156-M158 PolarHBondContact O-N 2.96Å; M158-R160 VanDerWaalsContact C-N 3.29Å
159	V	38.2	Very low	46	Very low	73 Å²	73	95.8 Å²	95.8	44%	0.442	46%	0.458	S	S	.	.			trans	-95.4	27.7	176.2	-162.7	0	0	0	0	111.1
160	R	39.2	Very low	44.7	Very low	195 Å²	195	94.7 Å²	94.7	74%	0.736	45%	0.447	S	S	*	.			trans	-101.8	0	177.1	-100.6	-178.8	-179.2	177.7	-3	111.9	F54 M158	F54-R160 VanDerWaalsContact CD1-NH2 3.25Å; F54-R160 HydrophobicContact CD2-CG 3.77Å; F54-R160 HydrophobicContact CE2-CG 3.26Å; F54-R160 HydrophobicContact CZ-CG 4.17Å; M158-R160 VanDerWaalsContact C-N 3.29Å

Retrieved 160 of 160 residues in 74.4 ms (Link to these results)

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