G4VKB5_SCHMA Loading...

FeS_assembly_P domain-containing protein

AlphaFold DB , UniProt , Accession G4VKB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 159 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	46.4	Very low	67.6	Low	226 Å²	226	150.9 Å²	150.9	100%	1.113	80%	0.803	S	S	*	*				0	103.2	0	-155.6	178.9	-77.9	0	0	104.8	E3	M1-E3 PolarHBondContact O-N 3.23Å; M1-E3 VanDerWaalsContact O-N 3.12Å
2	L	69.9	Low	66.7	Low	172 Å²	172	147.2 Å²	147.2	90%	0.901	79%	0.793	S	S	*	*			trans	-75.8	97.3	177.4	-91.7	126.9	0	0	0	106.8
3	E	75.3	Confident	66.6	Low	165 Å²	165	141.6 Å²	141.6	77%	0.771	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-61.4	141.6	168.1	-66.4	176.5	177.3	0	0	108.6	M1 L5	M1-E3 PolarHBondContact O-N 3.23Å; M1-E3 VanDerWaalsContact O-N 3.12Å; E3-L5 PolarHBondContact O-N 3.06Å
4	N	79	Confident	66.6	Low	157 Å²	157	138 Å²	138	84%	0.84	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-53.4	127.1	-173.5	-67.6	-33	0	0	0	110.8	N6	N4-N6 PolarHBondContact O-N 3.01Å
5	L	75.3	Confident	66.8	Low	158 Å²	158	136.5 Å²	136.5	83%	0.827	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-61.8	128	169	-74.1	158.9	0	0	0	108.5	E3	E3-L5 PolarHBondContact O-N 3.06Å
6	N	80.3	Confident	67	Low	145 Å²	145	137.3 Å²	137.3	78%	0.775	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-57.7	131.5	170.8	-79.8	-23.7	0	0	0	108.7	N4 V8	N4-N6 PolarHBondContact O-N 3.01Å; N6-V8 PolarHBondContact O-N 2.91Å
7	P	73	Confident	66.7	Low	112 Å²	112	135.4 Å²	135.4	73%	0.727	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-60.3	118.6	172.4	25.3	-32	0	0	0	108.1	L9	P7-L9 PolarHBondContact O-N 3.12Å
8	V	66	Low	65.9	Low	143 Å²	143	134.8 Å²	134.8	87%	0.867	72%	0.717	S	S	*	*			trans	-71	102.6	171.9	-179.1	0	0	0	0	106.2	N6 H10	N6-V8 PolarHBondContact O-N 2.91Å; V8-H10 PolarHBondContact O-N 3.3Å; V8-H10 VanDerWaalsContact O-N 3.12Å
9	L	59.3	Low	65.2	Low	144 Å²	144	130.8 Å²	130.8	75%	0.754	69%	0.692	S	S	*	*			trans	-61.5	114.8	170	-66.7	172.7	0	0	0	106.9	P7 V11	P7-L9 PolarHBondContact O-N 3.12Å; L9-V11 VanDerWaalsContact C-N 3.31Å; L9-V11 PolarHBondContact O-N 3.35Å
10	H	60	Low	64.3	Low	129 Å²	129	129 Å²	129	60%	0.597	68%	0.682	S	S	*	*			trans	-63.8	101.3	167	-165.7	-91.7	0	0	0	105.9	V8 V59	V8-H10 PolarHBondContact O-N 3.3Å; V8-H10 VanDerWaalsContact O-N 3.12Å; H10-V59 PolarHBondContact NE2-O 2.92Å; H10-V59 VanDerWaalsContact NE2-O 3.14Å
11	V	58.7	Low	63.4	Low	109 Å²	109	126.3 Å²	126.3	66%	0.661	69%	0.686	S	S	*	*			trans	-63.5	132	-177.2	-174.6	0	0	0	0	106.5	L9 V13	L9-V11 VanDerWaalsContact C-N 3.31Å; L9-V11 PolarHBondContact O-N 3.35Å; V11-V13 PolarHBondContact O-N 3.28Å; V11-V13 VanDerWaalsContact O-N 3.15Å
12	P	57.8	Low	63.4	Low	106 Å²	106	118.2 Å²	118.2	69%	0.688	65%	0.647	S	S	*	*			trans	-54	128.1	172.5	22.8	-32.5	0	0	0	108.4	K14	P12-K14 PolarHBondContact O-N 3.44Å; P12-K14 VanDerWaalsContact O-N 3.15Å
13	V	64.2	Low	62.3	Low	75 Å²	75	114.3 Å²	114.3	46%	0.455	63%	0.627	S	S	.	*			trans	-19	114.5	165.9	169.4	0	0	0	0	109.5	V11 V59	V11-V13 PolarHBondContact O-N 3.28Å; V11-V13 VanDerWaalsContact O-N 3.15Å; V13-V59 HydrophobicContact CG2-CG2 4.11Å
14	K	67.4	Low	61.6	Low	91 Å²	91	113.1 Å²	113.1	40%	0.396	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-51	130.3	-171.6	-80	-179.9	-178.8	175.7	0	107.5	P12 R16 R46 E58	P12-K14 PolarHBondContact O-N 3.44Å; P12-K14 VanDerWaalsContact O-N 3.15Å; K14-R16 PolarHBondContact O-N 2.91Å; K14-R16 VanDerWaalsContact O-N 3.12Å; K14-R46 VanDerWaalsContact O-CZ 3.26Å; K14-R46 PolarHBondContact O-NH1 3.3Å; K14-R46 PolarHBondContact O-NH2 2.89Å; K14-E58 PolarHBondContact N-OE1 3.18Å; K14-E58 VanDerWaalsContact N-OE1 3.09Å
15	P	70.1	Confident	61	Low	115 Å²	115	112.4 Å²	112.4	75%	0.747	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-51.6	131.7	-179.6	22.8	-32.8	0	0	0	108.2	L17	P15-L17 PolarHBondContact O-N 2.86Å; P15-L17 VanDerWaalsContact O-N 3.15Å
16	R	69.7	Low	60.6	Low	149 Å²	149	111 Å²	111	56%	0.562	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-50.6	129.7	173.4	-77.8	-174.1	-178.8	156.8	3.9	106.5	K14 N18 D47	K14-R16 PolarHBondContact O-N 2.91Å; K14-R16 VanDerWaalsContact O-N 3.12Å; R16-N18 VanDerWaalsContact C-N 3.27Å; R16-N18 PolarHBondContact O-N 3.41Å; R16-D47 IonicContact CZ-OD2 3.57Å; R16-D47 IonicContact NE-OD2 3.92Å; R16-D47 IonicContact NH2-OD1 3.14Å; R16-D47 PolarHBondContact NH2-OD1 3.07Å; R16-D47 VanDerWaalsContact NH2-OD1 3.14Å; R16-D47 IonicContact NH2-OD2 2.71Å; R16-D47 PolarHBondContact NH2-OD2 2.93Å
17	L	60.8	Low	60.2	Low	106 Å²	106	109.2 Å²	109.2	56%	0.555	60%	0.599	S	S	*	*			trans	-65	104.5	176.6	-88.6	156.2	0	0	0	105.1	P15 K19 A39 D43	P15-L17 PolarHBondContact O-N 2.86Å; P15-L17 VanDerWaalsContact O-N 3.15Å; L17-K19 PolarHBondContact O-N 3.47Å; L17-A39 HydrophobicContact CD1-CB 3.21Å; L17-D43 PolarHBondContact N-OD2 3.14Å
18	N	53.5	Low	60.2	Low	124 Å²	124	112.7 Å²	112.7	66%	0.663	61%	0.606	S	S	*	*			trans	-63.3	78.2	153.6	-81.9	1.2	0	0	0	105.2	R16 L20 G21	R16-N18 VanDerWaalsContact C-N 3.27Å; R16-N18 PolarHBondContact O-N 3.41Å; N18-L20 CarbonylContact O-C 3.56Å; N18-L20 VanDerWaalsContact O-C 3.23Å; N18-L20 PolarHBondContact O-N 2.94Å; N18-G21 PolarHBondContact O-N 3.21Å
19	K	52.7	Low	60.9	Low	59 Å²	59	114.6 Å²	114.6	26%	0.257	60%	0.597	S	S	.	*	S	Bend	trans	-53.7	-17.4	154.1	-79.7	-172	-177.8	-175.4	0	109.4	L17 G21 D37 E40	L17-K19 PolarHBondContact O-N 3.47Å; K19-G21 VanDerWaalsContact C-N 3.28Å; K19-G21 PolarHBondContact O-N 3.37Å; K19-D37 VanDerWaalsContact CE-CG 3.43Å; K19-D37 WeakPolarHBondContact CE-OD1 3.25Å; K19-D37 WeakPolarHBondContact CE-OD2 3.35Å; K19-D37 IonicContact NZ-OD1 3.15Å; K19-D37 PolarHBondContact NZ-OD1 3.44Å; K19-D37 IonicContact NZ-OD2 3.92Å; K19-D37 PolarHBondContact NZ-OD2 3.18Å; K19-E40 IonicContact NZ-OE2 2.87Å; K19-E40 PolarHBondContact NZ-OE2 2.76Å
20	L	45.9	Very low	62	Low	94 Å²	94	113.1 Å²	113.1	49%	0.492	59%	0.59	S	S	.	*			trans	-77.9	64.6	153.6	-60.2	110.5	0	0	0	114.2	N18 L22 I24	N18-L20 CarbonylContact O-C 3.56Å; N18-L20 VanDerWaalsContact O-C 3.23Å; N18-L20 PolarHBondContact O-N 2.94Å; L20-L22 HydrophobicContact CB-CB 3.75Å; L20-L22 HydrophobicContact CB-CG 4.27Å; L20-L22 HydrophobicContact CD2-CB 3.64Å; L20-L22 HydrophobicContact CD2-CD1 3.91Å; L20-L22 HydrophobicContact CD2-CG 4.23Å; L20-L22 HydrophobicContact CG-CB 3.79Å; L20-L22 HydrophobicContact CG-CD1 3.94Å; L20-L22 HydrophobicContact CG-CG 4.07Å; L20-L22 PolarHBondContact O-N 3.39Å; L20-I24 HydrophobicContact CD2-CG1 4.24Å
21	G	45.2	Very low	63.2	Low	73 Å²	73	109.2 Å²	109.2	75%	0.753	59%	0.585	S	S	*	*			trans	-63	-5.3	133.3	0	0	0	0	0	111.3	N18 K19 N23	N18-G21 PolarHBondContact O-N 3.21Å; K19-G21 VanDerWaalsContact C-N 3.28Å; K19-G21 PolarHBondContact O-N 3.37Å; G21-N23 PolarHBondContact O-N 3.01Å
22	L	47.2	Very low	64.5	Low	56 Å²	56	110.6 Å²	110.6	29%	0.293	59%	0.585	S	S	.	*			trans	-56.6	84.2	158.5	-50.2	-171.4	0	0	0	109.6	L20 I24 F27	L20-L22 HydrophobicContact CB-CB 3.75Å; L20-L22 HydrophobicContact CB-CG 4.27Å; L20-L22 HydrophobicContact CD2-CB 3.64Å; L20-L22 HydrophobicContact CD2-CD1 3.91Å; L20-L22 HydrophobicContact CD2-CG 4.23Å; L20-L22 HydrophobicContact CG-CB 3.79Å; L20-L22 HydrophobicContact CG-CD1 3.94Å; L20-L22 HydrophobicContact CG-CG 4.07Å; L20-L22 PolarHBondContact O-N 3.39Å; L22-I24 VanDerWaalsContact C-N 3.3Å; L22-I24 PolarHBondContact O-N 3.19Å; L22-F27 HydrophobicContact CB-CB 4.3Å; L22-F27 HydrophobicContact CB-CD2 4.32Å; L22-F27 HydrophobicContact CB-CG 4.41Å; L22-F27 HydrophobicContact CD1-CD1 4.22Å; L22-F27 HydrophobicContact CD1-CD2 3.5Å; L22-F27 HydrophobicContact CD1-CE1 4.21Å; L22-F27 HydrophobicContact CD1-CE2 3.44Å; L22-F27 VanDerWaalsContact CD1-CE2 3.44Å; L22-F27 HydrophobicContact CD1-CG 3.85Å; L22-F27 HydrophobicContact CD1-CZ 3.81Å; L22-F27 HydrophobicContact CD2-CB 4.37Å; L22-F27 HydrophobicContact CD2-CD2 3.08Å; L22-F27 HydrophobicContact CD2-CE2 3.45Å; L22-F27 VanDerWaalsContact CD2-CE2 3.45Å; L22-F27 HydrophobicContact CD2-CG 3.95Å; L22-F27 HydrophobicContact CG-CD2 3.74Å; L22-F27 HydrophobicContact CG-CE2 4.02Å; L22-F27 HydrophobicContact CG-CG 4.24Å
23	N	47.8	Very low	65.8	Low	91 Å²	91	111.9 Å²	111.9	49%	0.487	58%	0.576	S	S	.	*			trans	-49.6	107.9	146.1	-156.8	-9	0	0	0	104.8	G21 D25 N26 F27	G21-N23 PolarHBondContact O-N 3.01Å; N23-D25 PolarHBondContact O-N 3.44Å; N23-N26 HydrophobicContact CB-CB 4.28Å; N23-N26 CarbonylContact O-C 3.39Å; N23-N26 WeakPolarHBondContact O-CA 3.49Å; N23-N26 PolarHBondContact O-N 3.37Å; N23-F27 PolarHBondContact O-N 2.96Å; N23-F27 VanDerWaalsContact O-N 3.07Å
24	I	60.9	Low	66.9	Low	139 Å²	139	114.5 Å²	114.5	71%	0.713	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-53.7	-28.9	-175	-65.8	168.6	0	0	0	109.5	L20 L22 N26	L20-I24 HydrophobicContact CD2-CG1 4.24Å; L22-I24 VanDerWaalsContact C-N 3.3Å; L22-I24 PolarHBondContact O-N 3.19Å; I24-N26 VanDerWaalsContact C-N 3.34Å; I24-N26 PolarHBondContact O-N 3.46Å
25	D	65.1	Low	68	Low	142 Å²	142	115.1 Å²	115.1	76%	0.759	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-68.7	-24.1	176.4	-56.7	-20.6	0	0	0	114.1	N23	N23-D25 PolarHBondContact O-N 3.44Å
26	N	67.8	Low	69	Low	129 Å²	129	110.2 Å²	110.2	69%	0.69	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-124.4	22.4	-179.8	-66	-15.2	0	0	0	113.5	N23 I24 E28	N23-N26 HydrophobicContact CB-CB 4.28Å; N23-N26 CarbonylContact O-C 3.39Å; N23-N26 WeakPolarHBondContact O-CA 3.49Å; N23-N26 PolarHBondContact O-N 3.37Å; I24-N26 VanDerWaalsContact C-N 3.34Å; I24-N26 PolarHBondContact O-N 3.46Å; N26-E28 PolarHBondContact O-N 3.33Å; N26-E28 VanDerWaalsContact O-N 3.13Å
27	F	71	Confident	70	Confident	107 Å²	107	106.1 Å²	106.1	47%	0.469	55%	0.547	S	S	.	.			trans	-77.4	100.1	176.5	178.1	-130.4	0	0	0	111	L22 N23 W29	L22-F27 HydrophobicContact CB-CB 4.3Å; L22-F27 HydrophobicContact CB-CD2 4.32Å; L22-F27 HydrophobicContact CB-CG 4.41Å; L22-F27 HydrophobicContact CD1-CD1 4.22Å; L22-F27 HydrophobicContact CD1-CD2 3.5Å; L22-F27 HydrophobicContact CD1-CE1 4.21Å; L22-F27 HydrophobicContact CD1-CE2 3.44Å; L22-F27 VanDerWaalsContact CD1-CE2 3.44Å; L22-F27 HydrophobicContact CD1-CG 3.85Å; L22-F27 HydrophobicContact CD1-CZ 3.81Å; L22-F27 HydrophobicContact CD2-CB 4.37Å; L22-F27 HydrophobicContact CD2-CD2 3.08Å; L22-F27 HydrophobicContact CD2-CE2 3.45Å; L22-F27 VanDerWaalsContact CD2-CE2 3.45Å; L22-F27 HydrophobicContact CD2-CG 3.95Å; L22-F27 HydrophobicContact CG-CD2 3.74Å; L22-F27 HydrophobicContact CG-CE2 4.02Å; L22-F27 HydrophobicContact CG-CG 4.24Å; N23-F27 PolarHBondContact O-N 2.96Å; N23-F27 VanDerWaalsContact O-N 3.07Å; F27-W29 HydrophobicContact CE1-CB 4.04Å; F27-W29 HydrophobicContact CZ-CB 4.03Å; F27-W29 HydrophobicContact CZ-CG 4.45Å
28	E	73.6	Confident	71.5	Confident	185 Å²	185	105.2 Å²	105.2	86%	0.864	54%	0.538	S	S	*	.			trans	-87.8	112.5	164.9	-69.7	-173.8	171.6	0	0	109.4	N26	N26-E28 PolarHBondContact O-N 3.33Å; N26-E28 VanDerWaalsContact O-N 3.13Å
29	W	79.3	Confident	73.3	Confident	183 Å²	183	99.9 Å²	99.9	69%	0.693	51%	0.511	S	S	*	.			trans	-78.1	123.3	173.2	178.8	51.4	0	0	0	110	F27 G31 Q32	F27-W29 HydrophobicContact CE1-CB 4.04Å; F27-W29 HydrophobicContact CZ-CB 4.03Å; F27-W29 HydrophobicContact CZ-CG 4.45Å; W29-G31 VanDerWaalsContact CE2-CA 3.45Å; W29-G31 VanDerWaalsContact CZ2-CA 3.49Å; W29-G31 PolarHBondContact O-N 2.97Å; W29-Q32 PolarHBondContact NE1-O 3.16Å
30	D	83.8	Confident	75.1	Confident	113 Å²	113	99.6 Å²	99.6	60%	0.604	51%	0.511	S	S	*	.			trans	-79	2	-177.1	65.9	-3.7	0	0	0	114.4	Q32	D30-Q32 PolarHBondContact O-N 3.35Å; D30-Q32 WeakPolarHBondContact OD1-CB 3.44Å; D30-Q32 PolarHBondContact OD1-N 3.45Å
31	G	85.6	Confident	77.4	Confident	48 Å²	48	95.1 Å²	95.1	50%	0.495	49%	0.488	S	S	.	.	S	Bend	trans	77.2	-3.4	-175.9	0	0	0	0	0	114.2	W29	W29-G31 VanDerWaalsContact CE2-CA 3.45Å; W29-G31 VanDerWaalsContact CZ2-CA 3.49Å; W29-G31 PolarHBondContact O-N 2.97Å
32	Q	86.2	Confident	79.7	Confident	137 Å²	137	92.2 Å²	92.2	64%	0.64	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-91	151.3	-178.2	-56.4	-167.9	1.8	0	0	111.1	W29 D30	W29-Q32 PolarHBondContact NE1-O 3.16Å; D30-Q32 PolarHBondContact O-N 3.35Å; D30-Q32 WeakPolarHBondContact OD1-CB 3.44Å; D30-Q32 PolarHBondContact OD1-N 3.45Å
33	R	85	Confident	81.7	Confident	133 Å²	133	91.4 Å²	91.4	50%	0.502	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-80.4	121.5	173.4	176.6	176	171.7	-80.5	-18.5	109.2	D72 R109	R33-D72 IonicContact CZ-OD1 3.63Å; R33-D72 IonicContact CZ-OD2 2.87Å; R33-D72 IonicContact NH1-OD1 3.6Å; R33-D72 PolarHBondContact NH1-OD1 2.86Å; R33-D72 IonicContact NH1-OD2 2.78Å; R33-D72 PolarHBondContact NH1-OD2 3.47Å; R33-D72 IonicContact NH2-OD1 3.99Å; R33-D72 PolarHBondContact NH2-OD1 3.36Å; R33-D72 IonicContact NH2-OD2 2.71Å; R33-R109 VanDerWaalsContact NH1-NH2 3.19Å
34	Q	86.4	Confident	83.8	Confident	130 Å²	130	89.6 Å²	89.6	61%	0.607	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-67.7	132.5	169.4	-165.8	170.7	23	0	0	110.6
35	L	89.9	Confident	85.4	Confident	104 Å²	104	83 Å²	83	55%	0.545	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-75.7	143.3	175.6	-58.1	178.8	0	0	0	109.8	D37 D72	L35-D37 PolarHBondContact O-N 3.48Å; L35-D72 HydrophobicContact CB-CB 4.37Å; L35-D72 HydrophobicContact CD2-CB 4.25Å; L35-D72 WeakPolarHBondContact CD2-OD2 3.31Å
36	I	91.4	Very high	86.6	Confident	13 Å²	13	76.4 Å²	76.4	7%	0.067	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-74.6	125.2	171.2	-56.6	-170	0	0	0	107.4	E40 I41 V70 D72 L106 P107 F110	I36-E40 HydrophobicContact CG2-CB 4.41Å; I36-E40 HydrophobicContact CG2-CG 4.36Å; I36-I41 HydrophobicContact CG2-CD1 3.66Å; I36-I41 HydrophobicContact CG2-CG1 4.07Å; I36-V70 HydrophobicContact CG2-CG1 4.45Å; I36-V70 WeakPolarHBondContact O-CG1 3.4Å; I36-D72 PolarHBondContact N-OD1 3.31Å; I36-L106 HydrophobicContact CD1-CD2 3.87Å; I36-L106 HydrophobicContact CG2-CD2 4.4Å; I36-P107 HydrophobicContact CD1-CG 4.47Å; I36-F110 HydrophobicContact CB-CZ 4.23Å; I36-F110 HydrophobicContact CD1-CD2 4.33Å; I36-F110 HydrophobicContact CD1-CE2 3.45Å; I36-F110 VanDerWaalsContact CD1-CE2 3.45Å; I36-F110 HydrophobicContact CD1-CZ 3.75Å; I36-F110 HydrophobicContact CG1-CE2 4.32Å; I36-F110 HydrophobicContact CG1-CZ 4.18Å
37	D	90.8	Very high	87.7	Confident	63 Å²	63	73.5 Å²	73.5	34%	0.337	35%	0.354	S	S	.	.			trans	-110.2	172.3	177.8	64	10.1	0	0	0	111.6	K19 L35 A39 E40 I41	K19-D37 VanDerWaalsContact CE-CG 3.43Å; K19-D37 WeakPolarHBondContact CE-OD1 3.25Å; K19-D37 WeakPolarHBondContact CE-OD2 3.35Å; K19-D37 IonicContact NZ-OD1 3.15Å; K19-D37 PolarHBondContact NZ-OD1 3.44Å; K19-D37 IonicContact NZ-OD2 3.92Å; K19-D37 PolarHBondContact NZ-OD2 3.18Å; L35-D37 PolarHBondContact O-N 3.48Å; D37-A39 PolarHBondContact O-N 3.35Å; D37-A39 PolarHBondContact OD1-N 3.34Å; D37-E40 PolarHBondContact O-N 2.84Å; D37-E40 VanDerWaalsContact OD1-CB 3.28Å; D37-E40 WeakPolarHBondContact OD1-CB 3.24Å; D37-E40 PolarHBondContact OD1-N 2.99Å; D37-I41 PolarHBondContact O-N 3.34Å
38	K	92.9	Very high	88.7	Confident	87 Å²	87	68.6 Å²	68.6	38%	0.378	33%	0.332	S	S	.	.	H	α-helix	trans	-58.1	-35.1	178.2	60.5	172.7	-168.3	146.5	0	113.2	I41 F42 D65 D66 I68 V70	K38-I41 PolarHBondContact O-N 2.74Å; K38-F42 WeakPolarHBondContact O-CB 3.25Å; K38-F42 PolarHBondContact O-N 2.84Å; K38-D65 WeakPolarHBondContact CD-OD1 3.5Å; K38-D65 VanDerWaalsContact CE-OD2 3.31Å; K38-D65 WeakPolarHBondContact CE-OD2 3.49Å; K38-D65 WeakPolarHBondContact CG-OD1 3.37Å; K38-D65 IonicContact NZ-OD1 3.78Å; K38-D65 IonicContact NZ-OD2 3.78Å; K38-D65 PolarHBondContact NZ-OD2 3.36Å; K38-D66 IonicContact NZ-OD1 3.73Å; K38-I68 HydrophobicContact CB-CB 4.38Å; K38-I68 HydrophobicContact CB-CG2 4.1Å; K38-V70 HydrophobicContact CB-CG2 4.47Å
39	A	90.1	Very high	89.6	Confident	11 Å²	11	63 Å²	63	9%	0.091	30%	0.303	C	S	.	.	H	α-helix	trans	-64.1	-43.6	179.4	0	0	0	0	0	112.4	L17 D37 F42 D43	L17-A39 HydrophobicContact CD1-CB 3.21Å; D37-A39 PolarHBondContact O-N 3.35Å; D37-A39 PolarHBondContact OD1-N 3.34Å; A39-F42 WeakPolarHBondContact O-CB 3.26Å; A39-F42 PolarHBondContact O-N 3.1Å; A39-D43 PolarHBondContact O-N 3.03Å
40	E	91.3	Very high	90.1	Very high	54 Å²	54	54.8 Å²	54.8	25%	0.252	27%	0.273	S	S	.	.	H	α-helix	trans	-65.7	-40.2	176.7	-177.3	174.1	162.9	0	0	111.9	K19 I36 D37 D43 H44	K19-E40 IonicContact NZ-OE2 2.87Å; K19-E40 PolarHBondContact NZ-OE2 2.76Å; I36-E40 HydrophobicContact CG2-CB 4.41Å; I36-E40 HydrophobicContact CG2-CG 4.36Å; D37-E40 PolarHBondContact O-N 2.84Å; D37-E40 VanDerWaalsContact OD1-CB 3.28Å; D37-E40 WeakPolarHBondContact OD1-CB 3.24Å; D37-E40 PolarHBondContact OD1-N 2.99Å; E40-D43 PolarHBondContact O-N 3.49Å; E40-H44 PolarHBondContact O-CD2 3.13Å; E40-H44 PolarHBondContact O-N 3.27Å; E40-H44 VanDerWaalsContact O-N 3.11Å
41	I	93.7	Very high	90.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-46.2	172.1	-61.5	-50.7	0	0	0	110.7	I36 D37 K38 D43 H44 I45 I68 V70 V77 V79 L102 L106	I36-I41 HydrophobicContact CG2-CD1 3.66Å; I36-I41 HydrophobicContact CG2-CG1 4.07Å; D37-I41 PolarHBondContact O-N 3.34Å; K38-I41 PolarHBondContact O-N 2.74Å; I41-D43 VanDerWaalsContact C-N 3.34Å; I41-D43 PolarHBondContact O-N 2.9Å; I41-H44 WeakPolarHBondContact O-CB 3.34Å; I41-H44 PolarHBondContact O-N 3.24Å; I41-H44 VanDerWaalsContact O-N 3.15Å; I41-I45 WeakPolarHBondContact O-CG1 3.35Å; I41-I45 PolarHBondContact O-N 3.3Å; I41-I68 HydrophobicContact CB-CG2 3.84Å; I41-I68 HydrophobicContact CG1-CG2 4.46Å; I41-I68 HydrophobicContact CG2-CD1 4.28Å; I41-I68 HydrophobicContact CG2-CG2 3.61Å; I41-V70 HydrophobicContact CB-CG2 4.36Å; I41-V70 HydrophobicContact CG1-CG2 3.54Å; I41-V77 HydrophobicContact CD1-CG1 4.38Å; I41-V77 HydrophobicContact CD1-CG2 4.27Å; I41-V77 HydrophobicContact CG1-CG1 4.24Å; I41-V77 HydrophobicContact CG1-CG2 4.5Å; I41-V77 HydrophobicContact CG2-CG1 4.11Å; I41-V79 HydrophobicContact CG2-CG2 3.98Å; I41-L102 HydrophobicContact CD1-CD2 4.39Å; I41-L102 HydrophobicContact CG2-CD2 3.98Å; I41-L106 HydrophobicContact CD1-CD1 3.73Å; I41-L106 HydrophobicContact CD1-CD2 3.54Å; I41-L106 HydrophobicContact CD1-CG 4.17Å
42	F	93.3	Very high	90.5	Very high	12 Å²	12	54.6 Å²	54.6	5%	0.053	26%	0.26	C	S	.	.	H	α-helix	trans	-58.7	-45.6	177.5	-172.9	-102.2	0	0	0	111.4	K38 A39 H44 I45 R46 E58 L63 D65 I68	K38-F42 WeakPolarHBondContact O-CB 3.25Å; K38-F42 PolarHBondContact O-N 2.84Å; A39-F42 WeakPolarHBondContact O-CB 3.26Å; A39-F42 PolarHBondContact O-N 3.1Å; F42-H44 PolarHBondContact O-N 2.66Å; F42-I45 WeakPolarHBondContact O-CG1 3.34Å; F42-I45 PolarHBondContact O-N 3.03Å; F42-R46 HydrophobicContact CD1-CB 4.31Å; F42-R46 HydrophobicContact CE1-CB 4.04Å; F42-R46 HydrophobicContact CZ-CB 4.26Å; F42-R46 VanDerWaalsContact O-CB 3.27Å; F42-R46 WeakPolarHBondContact O-CB 3.35Å; F42-R46 WeakPolarHBondContact O-CG 3.42Å; F42-R46 PolarHBondContact O-N 3.18Å; F42-E58 HydrophobicContact CZ-CB 4.35Å; F42-E58 HydrophobicContact CZ-CG 3.9Å; F42-L63 HydrophobicContact CE2-CB 4.37Å; F42-D65 HydrophobicContact CD2-CB 4.27Å; F42-D65 HydrophobicContact CG-CB 4.42Å; F42-I68 HydrophobicContact CB-CD1 3.75Å; F42-I68 HydrophobicContact CD2-CD1 3.75Å; F42-I68 HydrophobicContact CG-CD1 4.26Å
43	D	90.6	Very high	90.4	Very high	38 Å²	38	52.4 Å²	52.4	20%	0.203	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-29.1	177.3	-82.2	-23.8	0	0	0	113.1	L17 A39 E40 I41 R46	L17-D43 PolarHBondContact N-OD2 3.14Å; A39-D43 PolarHBondContact O-N 3.03Å; E40-D43 PolarHBondContact O-N 3.49Å; I41-D43 VanDerWaalsContact C-N 3.34Å; I41-D43 PolarHBondContact O-N 2.9Å; D43-R46 WeakPolarHBondContact OD1-CD 3.26Å; D43-R46 IonicContact OD1-CZ 2.89Å; D43-R46 IonicContact OD1-NE 2.81Å; D43-R46 IonicContact OD1-NH1 3.51Å; D43-R46 PolarHBondContact OD1-NH1 2.62Å
44	H	91.8	Very high	90.5	Very high	54 Å²	54	51 Å²	51	25%	0.25	26%	0.258	C	S	.	.	H	α-helix	trans	-70.8	-34.5	172.4	-75.2	-39.3	0	0	0	114.1	E40 I41 F42 K101 L102	E40-H44 PolarHBondContact O-CD2 3.13Å; E40-H44 PolarHBondContact O-N 3.27Å; E40-H44 VanDerWaalsContact O-N 3.11Å; I41-H44 WeakPolarHBondContact O-CB 3.34Å; I41-H44 PolarHBondContact O-N 3.24Å; I41-H44 VanDerWaalsContact O-N 3.15Å; F42-H44 PolarHBondContact O-N 2.66Å; H44-K101 WeakPolarHBondContact O-CE 3.44Å; H44-K101 WeakPolarHBondContact O-CG 3.47Å; H44-L102 HydrophobicContact CB-CD2 4.34Å
45	I	93.5	Very high	90.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-104.5	-18.5	-168.7	63.3	176	0	0	0	113.9	I41 F42 D47 I48 L63 I68 V79 I98 K101 L102	I41-I45 WeakPolarHBondContact O-CG1 3.35Å; I41-I45 PolarHBondContact O-N 3.3Å; F42-I45 WeakPolarHBondContact O-CG1 3.34Å; F42-I45 PolarHBondContact O-N 3.03Å; I45-D47 VanDerWaalsContact C-N 3.28Å; I45-D47 PolarHBondContact O-N 2.79Å; I45-I48 HydrophobicContact CB-CD1 3.96Å; I45-I48 HydrophobicContact CG2-CD1 4.19Å; I45-I48 WeakPolarHBondContact O-CB 3.35Å; I45-I48 VanDerWaalsContact O-CG1 3.25Å; I45-I48 WeakPolarHBondContact O-CG1 3.41Å; I45-I48 PolarHBondContact O-N 2.83Å; I45-L63 HydrophobicContact CB-CD1 3.98Å; I45-L63 HydrophobicContact CD1-CD1 3.67Å; I45-L63 HydrophobicContact CD1-CD2 3.93Å; I45-L63 HydrophobicContact CD1-CG 4.36Å; I45-L63 HydrophobicContact CG1-CD1 3.71Å; I45-I68 HydrophobicContact CD1-CD1 3.82Å; I45-V79 HydrophobicContact CD1-CG1 3.77Å; I45-V79 HydrophobicContact CD1-CG2 4.43Å; I45-I98 HydrophobicContact CG2-CG2 4.2Å; I45-K101 HydrophobicContact CG2-CG 4.45Å; I45-L102 HydrophobicContact CG2-CD1 4.3Å; I45-L102 HydrophobicContact CG2-CD2 3.62Å; I45-L102 HydrophobicContact CG2-CG 3.84Å
46	R	90.8	Very high	90.7	Very high	3 Å²	3	45.4 Å²	45.4	1%	0.011	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-32.1	-176.3	65.8	-173.5	-63.6	176.7	7.1	114.8	K14 F42 D43 I48 S56 E58	K14-R46 VanDerWaalsContact O-CZ 3.26Å; K14-R46 PolarHBondContact O-NH1 3.3Å; K14-R46 PolarHBondContact O-NH2 2.89Å; F42-R46 HydrophobicContact CD1-CB 4.31Å; F42-R46 HydrophobicContact CE1-CB 4.04Å; F42-R46 HydrophobicContact CZ-CB 4.26Å; F42-R46 VanDerWaalsContact O-CB 3.27Å; F42-R46 WeakPolarHBondContact O-CB 3.35Å; F42-R46 WeakPolarHBondContact O-CG 3.42Å; F42-R46 PolarHBondContact O-N 3.18Å; D43-R46 WeakPolarHBondContact OD1-CD 3.26Å; D43-R46 IonicContact OD1-CZ 2.89Å; D43-R46 IonicContact OD1-NE 2.81Å; D43-R46 IonicContact OD1-NH1 3.51Å; D43-R46 PolarHBondContact OD1-NH1 2.62Å; R46-I48 VanDerWaalsContact C-N 3.34Å; R46-S56 VanDerWaalsContact O-CB 3.24Å; R46-S56 WeakPolarHBondContact O-CB 3.34Å; R46-S56 PolarHBondContact O-OG 3.34Å; R46-E58 HydrophobicContact CB-CB 4.11Å; R46-E58 IonicContact CZ-OE1 2.71Å; R46-E58 IonicContact CZ-OE2 2.98Å; R46-E58 IonicContact NE-OE2 2.89Å; R46-E58 PolarHBondContact NE-OE2 3.15Å; R46-E58 IonicContact NH2-OE1 2.77Å; R46-E58 PolarHBondContact NH2-OE1 3.47Å; R46-E58 IonicContact NH2-OE2 3.78Å; R46-E58 PolarHBondContact NH2-OE2 2.9Å
47	D	90.2	Very high	90.7	Very high	68 Å²	68	44.8 Å²	44.8	36%	0.364	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-1.7	-177.4	-61.5	-39.7	0	0	0	113	R16 I45 R49	R16-D47 IonicContact CZ-OD2 3.57Å; R16-D47 IonicContact NE-OD2 3.92Å; R16-D47 IonicContact NH2-OD1 3.14Å; R16-D47 PolarHBondContact NH2-OD1 3.07Å; R16-D47 VanDerWaalsContact NH2-OD1 3.14Å; R16-D47 IonicContact NH2-OD2 2.71Å; R16-D47 PolarHBondContact NH2-OD2 2.93Å; I45-D47 VanDerWaalsContact C-N 3.28Å; I45-D47 PolarHBondContact O-N 2.79Å; D47-R49 PolarHBondContact O-N 3.37Å
48	I	93.1	Very high	90.6	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.021	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-60.6	132	175.1	-62.7	174.3	0	0	0	107.8	I45 R46 S56 L57 A97 I98 K101 C153 L154	I45-I48 HydrophobicContact CB-CD1 3.96Å; I45-I48 HydrophobicContact CG2-CD1 4.19Å; I45-I48 WeakPolarHBondContact O-CB 3.35Å; I45-I48 VanDerWaalsContact O-CG1 3.25Å; I45-I48 WeakPolarHBondContact O-CG1 3.41Å; I45-I48 PolarHBondContact O-N 2.83Å; R46-I48 VanDerWaalsContact C-N 3.34Å; I48-S56 CarbonylContact O-C 3.23Å; I48-S56 VanDerWaalsContact O-CA 3.28Å; I48-S56 WeakPolarHBondContact O-CA 2.84Å; I48-L57 HydrophobicContact CB-CD1 3.85Å; I48-L57 HydrophobicContact CB-CG 4.13Å; I48-L57 HydrophobicContact CG2-CD1 3.76Å; I48-L57 HydrophobicContact CG2-CG 4.14Å; I48-L57 WeakPolarHBondContact O-CG 3.3Å; I48-L57 PolarHBondContact O-N 2.8Å; I48-A97 HydrophobicContact CG2-CB 4.1Å; I48-I98 HydrophobicContact CD1-CB 4.44Å; I48-I98 HydrophobicContact CD1-CG1 4Å; I48-K101 HydrophobicContact CD1-CB 3.81Å; I48-K101 HydrophobicContact CD1-CG 4.04Å; I48-K101 HydrophobicContact CG1-CB 4.49Å; I48-K101 HydrophobicContact CG1-CG 4.36Å; I48-C153 HydrophobicContact CG2-CB 4.21Å; I48-L154 HydrophobicContact CD1-CD2 4.1Å; I48-L154 HydrophobicContact CG1-CD2 3.86Å; I48-L154 HydrophobicContact CG2-CD2 4.37Å
49	R	91.9	Very high	90.4	Very high	67 Å²	67	41 Å²	41	25%	0.253	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-85.7	143.2	178.3	-63.7	-171.6	-64.6	160.3	1.6	111.1	D47 N152 C153 Q157	D47-R49 PolarHBondContact O-N 3.37Å; R49-N152 PolarHBondContact NE-O 3.01Å; R49-N152 PolarHBondContact NH2-O 2.72Å; R49-C153 PolarHBondContact N-O 3.26Å; R49-C153 WeakPolarHBondContact O-CB 3.25Å; R49-Q157 VanDerWaalsContact NH1-NE2 3.11Å
50	D	90.8	Very high	90.3	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.064	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-62.2	139.8	167.9	-171.3	-84.7	0	0	0	110.3	E52 H53 H55 L57 L60	D50-E52 VanDerWaalsContact C-N 3.26Å; D50-E52 PolarHBondContact O-N 3.44Å; D50-E52 WeakPolarHBondContact OD1-CA 3.23Å; D50-E52 WeakPolarHBondContact OD1-CB 3.39Å; D50-E52 PolarHBondContact OD1-N 2.63Å; D50-H53 HydrophobicContact CB-CB 4.19Å; D50-H53 VanDerWaalsContact O-O 3.08Å; D50-H53 IonicContact OD1-CD2 2.66Å; D50-H53 PolarHBondContact OD1-N 3.21Å; D50-H55 PolarHBondContact N-O 3.14Å; D50-L57 HydrophobicContact CB-CD2 4.5Å; D50-L60 HydrophobicContact CB-CD1 3.59Å
51	P	89.4	Confident	90.2	Very high	45 Å²	45	43.8 Å²	43.8	29%	0.292	23%	0.233	S	C	.	.	S	Bend	trans	-69.1	-22	179.9	26	-33.9	0	0	0	113.9	M90 L93 I94	P51-M90 HydrophobicContact CG-CB 3.78Å; P51-M90 HydrophobicContact CG-CG 4.12Å; P51-L93 HydrophobicContact CB-CD2 3.6Å; P51-L93 HydrophobicContact CG-CD2 4.01Å; P51-I94 HydrophobicContact CG-CG1 4.16Å
52	E	87.1	Confident	90.2	Very high	112 Å²	112	43.9 Å²	43.9	52%	0.523	23%	0.234	S	C	.	.	S	Bend	trans	-103.9	-29.9	-178	-58.5	-170	158.2	0	0	112.3	D50 M90	D50-E52 VanDerWaalsContact C-N 3.26Å; D50-E52 PolarHBondContact O-N 3.44Å; D50-E52 WeakPolarHBondContact OD1-CA 3.23Å; D50-E52 WeakPolarHBondContact OD1-CB 3.39Å; D50-E52 PolarHBondContact OD1-N 2.63Å; E52-M90 HydrophobicContact CG-CG 3.87Å; E52-M90 WeakPolarHBondContact OE1-CG 3.35Å
53	H	84.6	Confident	90.1	Very high	91 Å²	91	43.7 Å²	43.7	42%	0.421	23%	0.233	S	C	.	.	S	Bend	trans	-118.5	148.2	-173.9	-62.2	-68.8	0	0	0	113.9	D50 H55 L60	D50-H53 HydrophobicContact CB-CB 4.19Å; D50-H53 VanDerWaalsContact O-O 3.08Å; D50-H53 IonicContact OD1-CD2 2.66Å; D50-H53 PolarHBondContact OD1-N 3.21Å; H53-H55 PolarHBondContact O-N 3.18Å; H53-L60 HydrophobicContact CB-CD1 4.5Å
54	P	86.4	Confident	90.1	Very high	104 Å²	104	44.3 Å²	44.3	68%	0.675	24%	0.237	S	C	*	.	S	Bend	trans	-78.4	37	177.7	36.5	-38.1	0	0	0	112.5
55	H	89.4	Confident	90	Very high	92 Å²	92	42.7 Å²	42.7	43%	0.426	23%	0.23	S	C	.	.	S	Bend	trans	-124.9	152.9	-177.7	-62.4	-47.7	0	0	0	110.5	D50 H53 V59 L60	D50-H55 PolarHBondContact N-O 3.14Å; H53-H55 PolarHBondContact O-N 3.18Å; H55-V59 HydrophobicContact CB-CB 4.49Å; H55-V59 HydrophobicContact CB-CG1 4.29Å; H55-L60 HydrophobicContact CB-CD1 4.17Å; H55-L60 HydrophobicContact CB-CD2 3.97Å; H55-L60 HydrophobicContact CB-CG 3.87Å
56	S	91.2	Very high	89.9	Confident	23 Å²	23	48 Å²	48	16%	0.161	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-78.4	156.6	175.1	75.6	0	0	0	0	111.3	R46 I48 E58 V59 L60	R46-S56 VanDerWaalsContact O-CB 3.24Å; R46-S56 WeakPolarHBondContact O-CB 3.34Å; R46-S56 PolarHBondContact O-OG 3.34Å; I48-S56 CarbonylContact O-C 3.23Å; I48-S56 VanDerWaalsContact O-CA 3.28Å; I48-S56 WeakPolarHBondContact O-CA 2.84Å; S56-E58 PolarHBondContact O-N 2.95Å; S56-V59 PolarHBondContact O-N 3.15Å; S56-V59 VanDerWaalsContact O-N 3.09Å; S56-V59 WeakPolarHBondContact OG-CG2 3.49Å; S56-V59 PolarHBondContact OG-N 2.88Å; S56-L60 PolarHBondContact O-N 2.92Å; S56-L60 VanDerWaalsContact O-N 3.14Å
57	L	91.6	Very high	90.1	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.2	178	-65.3	-174.1	0	0	0	112.5	I48 D50 S61 V62 L63 I94 I98	I48-L57 HydrophobicContact CB-CD1 3.85Å; I48-L57 HydrophobicContact CB-CG 4.13Å; I48-L57 HydrophobicContact CG2-CD1 3.76Å; I48-L57 HydrophobicContact CG2-CG 4.14Å; I48-L57 WeakPolarHBondContact O-CG 3.3Å; I48-L57 PolarHBondContact O-N 2.8Å; D50-L57 HydrophobicContact CB-CD2 4.5Å; L57-S61 PolarHBondContact O-N 2.98Å; L57-V62 HydrophobicContact CB-CB 4.17Å; L57-V62 HydrophobicContact CB-CG1 4.48Å; L57-V62 HydrophobicContact CD2-CB 4.11Å; L57-V62 HydrophobicContact CD2-CG1 4Å; L57-V62 HydrophobicContact CD2-CG2 4.33Å; L57-V62 PolarHBondContact O-N 3.31Å; L57-L63 HydrophobicContact CB-CD1 3.73Å; L57-L63 HydrophobicContact CB-CG 4.1Å; L57-L63 HydrophobicContact CD1-CD1 3.76Å; L57-L63 HydrophobicContact CD1-CG 4.34Å; L57-L63 HydrophobicContact CG-CD1 4.42Å; L57-L63 PolarHBondContact O-N 3.06Å; L57-I94 HydrophobicContact CD1-CG2 3.83Å; L57-I94 HydrophobicContact CD2-CG2 3.94Å; L57-I98 HydrophobicContact CD1-CD1 4.03Å; L57-I98 HydrophobicContact CD1-CG1 3.95Å
58	E	89.6	Confident	90.3	Very high	23 Å²	23	47 Å²	47	11%	0.107	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-46.8	172.7	177	-178.8	-168.5	0	0	111.8	K14 F42 R46 S56 L60 S61	K14-E58 PolarHBondContact N-OE1 3.18Å; K14-E58 VanDerWaalsContact N-OE1 3.09Å; F42-E58 HydrophobicContact CZ-CB 4.35Å; F42-E58 HydrophobicContact CZ-CG 3.9Å; R46-E58 HydrophobicContact CB-CB 4.11Å; R46-E58 IonicContact CZ-OE1 2.71Å; R46-E58 IonicContact CZ-OE2 2.98Å; R46-E58 IonicContact NE-OE2 2.89Å; R46-E58 PolarHBondContact NE-OE2 3.15Å; R46-E58 IonicContact NH2-OE1 2.77Å; R46-E58 PolarHBondContact NH2-OE1 3.47Å; R46-E58 IonicContact NH2-OE2 3.78Å; R46-E58 PolarHBondContact NH2-OE2 2.9Å; S56-E58 PolarHBondContact O-N 2.95Å; E58-L60 PolarHBondContact O-N 2.86Å; E58-S61 WeakPolarHBondContact O-CA 3.46Å; E58-S61 PolarHBondContact O-N 3.23Å
59	V	87.8	Confident	90.4	Very high	46 Å²	46	50.7 Å²	50.7	28%	0.279	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-37.5	-178.2	170.2	0	0	0	0	111	H10 V13 H55 S56 S61	H10-V59 PolarHBondContact NE2-O 2.92Å; H10-V59 VanDerWaalsContact NE2-O 3.14Å; V13-V59 HydrophobicContact CG2-CG2 4.11Å; H55-V59 HydrophobicContact CB-CB 4.49Å; H55-V59 HydrophobicContact CB-CG1 4.29Å; S56-V59 PolarHBondContact O-N 3.15Å; S56-V59 VanDerWaalsContact O-N 3.09Å; S56-V59 WeakPolarHBondContact OG-CG2 3.49Å; S56-V59 PolarHBondContact OG-N 2.88Å; V59-S61 PolarHBondContact O-N 2.97Å
60	L	89	Confident	90.6	Very high	46 Å²	46	49.4 Å²	49.4	24%	0.241	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	1.6	176.1	-62.1	177.2	0	0	0	113.7	D50 H53 H55 S56 E58 V62 T84	D50-L60 HydrophobicContact CB-CD1 3.59Å; H53-L60 HydrophobicContact CB-CD1 4.5Å; H55-L60 HydrophobicContact CB-CD1 4.17Å; H55-L60 HydrophobicContact CB-CD2 3.97Å; H55-L60 HydrophobicContact CB-CG 3.87Å; S56-L60 PolarHBondContact O-N 2.92Å; S56-L60 VanDerWaalsContact O-N 3.14Å; E58-L60 PolarHBondContact O-N 2.86Å; L60-V62 HydrophobicContact CB-CG2 3.87Å; L60-V62 PolarHBondContact O-N 2.99Å; L60-V62 VanDerWaalsContact O-N 3.15Å; L60-T84 HydrophobicContact CB-CG2 4.32Å
61	S	89.6	Confident	90.8	Very high	79 Å²	79	51.2 Å²	51.2	55%	0.552	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	26.3	-175.6	-55.8	0	0	0	0	114.1	L57 E58 V59 L63	L57-S61 PolarHBondContact O-N 2.98Å; E58-S61 WeakPolarHBondContact O-CA 3.46Å; E58-S61 PolarHBondContact O-N 3.23Å; V59-S61 PolarHBondContact O-N 2.97Å; S61-L63 VanDerWaalsContact C-N 3.26Å
62	V	92.3	Very high	90.9	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	27%	0.269	C	S	.	.	S	Bend	trans	-71.7	-27.7	175.2	172.5	0	0	0	0	110.7	L57 L60 Y81 S82 T84 I94	L57-V62 HydrophobicContact CB-CB 4.17Å; L57-V62 HydrophobicContact CB-CG1 4.48Å; L57-V62 HydrophobicContact CD2-CB 4.11Å; L57-V62 HydrophobicContact CD2-CG1 4Å; L57-V62 HydrophobicContact CD2-CG2 4.33Å; L57-V62 PolarHBondContact O-N 3.31Å; L60-V62 HydrophobicContact CB-CG2 3.87Å; L60-V62 PolarHBondContact O-N 2.99Å; L60-V62 VanDerWaalsContact O-N 3.15Å; V62-Y81 HydrophobicContact CG1-CD2 4.09Å; V62-Y81 CarbonylContact O-C 3.55Å; V62-Y81 WeakPolarHBondContact O-CA 3.38Å; V62-Y81 WeakPolarHBondContact O-CB 3.14Å; V62-S82 VanDerWaalsContact CA-O 3.31Å; V62-S82 WeakPolarHBondContact CA-O 3.18Å; V62-S82 WeakPolarHBondContact CG1-O 3.23Å; V62-S82 PolarHBondContact O-N 2.9Å; V62-T84 HydrophobicContact CG2-CG2 3.92Å; V62-I94 HydrophobicContact CG1-CG2 4.09Å
63	L	92.3	Very high	91.1	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.042	28%	0.28	C	S	.	.			trans	-120.4	148.4	177	-69.5	170.8	0	0	0	111.1	F42 I45 L57 S61 V79 I98	F42-L63 HydrophobicContact CE2-CB 4.37Å; I45-L63 HydrophobicContact CB-CD1 3.98Å; I45-L63 HydrophobicContact CD1-CD1 3.67Å; I45-L63 HydrophobicContact CD1-CD2 3.93Å; I45-L63 HydrophobicContact CD1-CG 4.36Å; I45-L63 HydrophobicContact CG1-CD1 3.71Å; L57-L63 HydrophobicContact CB-CD1 3.73Å; L57-L63 HydrophobicContact CB-CG 4.1Å; L57-L63 HydrophobicContact CD1-CD1 3.76Å; L57-L63 HydrophobicContact CD1-CG 4.34Å; L57-L63 HydrophobicContact CG-CD1 4.42Å; L57-L63 PolarHBondContact O-N 3.06Å; S61-L63 VanDerWaalsContact C-N 3.26Å; L63-V79 HydrophobicContact CD2-CG1 3.92Å; L63-I98 HydrophobicContact CD1-CD1 4.43Å; L63-I98 HydrophobicContact CD2-CD1 3.94Å
64	N	90.3	Very high	91.6	Very high	51 Å²	51	52.8 Å²	52.8	27%	0.273	29%	0.292	S	S	.	.			trans	-141.2	148.5	171	-163.8	-14.6	0	0	0	109.6	D66 W67	N64-D66 PolarHBondContact O-N 3.21Å; N64-W67 HydrophobicContact CB-CD2 3.62Å; N64-W67 HydrophobicContact CB-CE3 3.81Å; N64-W67 HydrophobicContact CB-CG 4Å; N64-W67 HydrophobicContact CB-CH2 4.25Å; N64-W67 HydrophobicContact CB-CZ2 4.07Å; N64-W67 HydrophobicContact CB-CZ3 4.13Å; N64-W67 WeakPolarHBondContact O-CB 3.4Å; N64-W67 PolarHBondContact O-N 2.84Å; N64-W67 VanDerWaalsContact O-N 3.15Å
65	D	88.9	Confident	91.9	Very high	21 Å²	21	48.9 Å²	48.9	11%	0.112	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-63.1	-31.4	177.6	178	44.6	0	0	0	112	K38 F42 W67 I68	K38-D65 WeakPolarHBondContact CD-OD1 3.5Å; K38-D65 VanDerWaalsContact CE-OD2 3.31Å; K38-D65 WeakPolarHBondContact CE-OD2 3.49Å; K38-D65 WeakPolarHBondContact CG-OD1 3.37Å; K38-D65 IonicContact NZ-OD1 3.78Å; K38-D65 IonicContact NZ-OD2 3.78Å; K38-D65 PolarHBondContact NZ-OD2 3.36Å; F42-D65 HydrophobicContact CD2-CB 4.27Å; F42-D65 HydrophobicContact CG-CB 4.42Å; D65-W67 PolarHBondContact O-N 2.85Å; D65-I68 PolarHBondContact O-N 2.95Å
66	D	91.9	Very high	92.3	Very high	111 Å²	111	48.4 Å²	48.4	59%	0.594	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-71.2	-12.8	177.9	-60.7	-33.3	0	0	0	113.3	K38 N64	K38-D66 IonicContact NZ-OD1 3.73Å; N64-D66 PolarHBondContact O-N 3.21Å
67	W	93.8	Very high	92.5	Very high	47 Å²	47	47.3 Å²	47.3	18%	0.178	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-98.7	10.9	-179.4	-59.3	-10.3	0	0	0	112	N64 D65 E80 K117	N64-W67 HydrophobicContact CB-CD2 3.62Å; N64-W67 HydrophobicContact CB-CE3 3.81Å; N64-W67 HydrophobicContact CB-CG 4Å; N64-W67 HydrophobicContact CB-CH2 4.25Å; N64-W67 HydrophobicContact CB-CZ2 4.07Å; N64-W67 HydrophobicContact CB-CZ3 4.13Å; N64-W67 WeakPolarHBondContact O-CB 3.4Å; N64-W67 PolarHBondContact O-N 2.84Å; N64-W67 VanDerWaalsContact O-N 3.15Å; D65-W67 PolarHBondContact O-N 2.85Å; W67-E80 HydrophobicContact CB-CB 4Å; W67-E80 WeakPolarHBondContact CB-O 3.34Å; W67-E80 PolarHBondContact O-N 2.88Å; W67-K117 HydrophobicContact CD2-CD 4.11Å; W67-K117 VanDerWaalsContact CE2-NZ 3.31Å; W67-K117 HydrophobicContact CE3-CD 4.33Å; W67-K117 HydrophobicContact CH2-CD 4.18Å; W67-K117 HydrophobicContact CZ2-CD 3.95Å; W67-K117 HydrophobicContact CZ3-CD 4.35Å
68	I	95.5	Very high	92.8	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	118.2	-178.7	-61.4	171.9	0	0	0	108.9	K38 I41 F42 I45 D65 V70 V79	K38-I68 HydrophobicContact CB-CB 4.38Å; K38-I68 HydrophobicContact CB-CG2 4.1Å; I41-I68 HydrophobicContact CB-CG2 3.84Å; I41-I68 HydrophobicContact CG1-CG2 4.46Å; I41-I68 HydrophobicContact CG2-CD1 4.28Å; I41-I68 HydrophobicContact CG2-CG2 3.61Å; F42-I68 HydrophobicContact CB-CD1 3.75Å; F42-I68 HydrophobicContact CD2-CD1 3.75Å; F42-I68 HydrophobicContact CG-CD1 4.26Å; I45-I68 HydrophobicContact CD1-CD1 3.82Å; D65-I68 PolarHBondContact O-N 2.95Å; I68-V70 HydrophobicContact CG2-CG2 3.93Å; I68-V79 HydrophobicContact CG1-CG1 4.35Å; I68-V79 HydrophobicContact CG1-CG2 4.35Å; I68-V79 HydrophobicContact CG2-CG2 4.42Å
69	N	96	Very high	93.1	Very high	80 Å²	80	46.4 Å²	46.4	43%	0.428	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124.4	176.8	-67.6	-53.7	0	0	0	109.7	W76 V77 C78	N69-W76 HydrophobicContact CB-CH2 4.3Å; N69-W76 HydrophobicContact CB-CZ3 3.91Å; N69-V77 WeakPolarHBondContact O-CA 3.44Å; N69-C78 HydrophobicContact CB-CB 4.39Å; N69-C78 PolarHBondContact N-O 3.41Å; N69-C78 PolarHBondContact O-N 2.98Å
70	V	95.1	Very high	93.6	Very high	40 Å²	40	46.6 Å²	46.6	24%	0.242	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.1	-178	-177	0	0	0	0	109.6	I36 K38 I41 I68 V77	I36-V70 HydrophobicContact CG2-CG1 4.45Å; I36-V70 WeakPolarHBondContact O-CG1 3.4Å; K38-V70 HydrophobicContact CB-CG2 4.47Å; I41-V70 HydrophobicContact CB-CG2 4.36Å; I41-V70 HydrophobicContact CG1-CG2 3.54Å; I68-V70 HydrophobicContact CG2-CG2 3.93Å; V70-V77 HydrophobicContact CG1-CG2 4.09Å; V70-V77 HydrophobicContact CG2-CG1 4.43Å; V70-V77 HydrophobicContact CG2-CG2 4.3Å
71	N	94.6	Very high	93.9	Very high	51 Å²	51	44.4 Å²	44.4	27%	0.273	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	96.6	168.1	-171.7	-21.3	0	0	0	108.9	T73 E74 S75 W76	N71-T73 VanDerWaalsContact C-N 3.32Å; N71-T73 PolarHBondContact O-N 3.31Å; N71-T73 PolarHBondContact OD1-N 3.48Å; N71-E74 HydrophobicContact CB-CB 4.32Å; N71-E74 WeakPolarHBondContact ND2-CG 3.29Å; N71-E74 PolarHBondContact ND2-OE2 3.01Å; N71-E74 PolarHBondContact OD1-N 3.29Å; N71-S75 WeakPolarHBondContact O-CA 3.47Å; N71-S75 PolarHBondContact O-N 3.39Å; N71-W76 HydrophobicContact CB-CE3 4.38Å; N71-W76 PolarHBondContact N-O 2.9Å; N71-W76 PolarHBondContact O-N 3.28Å
72	D	92	Very high	94.1	Very high	15 Å²	15	42 Å²	42	8%	0.08	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-33.9	-179.2	-171.9	102.6	0	0	0	112.1	R33 L35 I36 S75 R109	R33-D72 IonicContact CZ-OD1 3.63Å; R33-D72 IonicContact CZ-OD2 2.87Å; R33-D72 IonicContact NH1-OD1 3.6Å; R33-D72 PolarHBondContact NH1-OD1 2.86Å; R33-D72 IonicContact NH1-OD2 2.78Å; R33-D72 PolarHBondContact NH1-OD2 3.47Å; R33-D72 IonicContact NH2-OD1 3.99Å; R33-D72 PolarHBondContact NH2-OD1 3.36Å; R33-D72 IonicContact NH2-OD2 2.71Å; L35-D72 HydrophobicContact CB-CB 4.37Å; L35-D72 HydrophobicContact CD2-CB 4.25Å; L35-D72 WeakPolarHBondContact CD2-OD2 3.31Å; I36-D72 PolarHBondContact N-OD1 3.31Å; D72-S75 PolarHBondContact O-N 2.99Å; D72-R109 PolarHBondContact O-NH1 3.16Å; D72-R109 IonicContact OD1-NH2 3.59Å; D72-R109 PolarHBondContact OD1-NH2 3.48Å; D72-R109 IonicContact OD2-CZ 3.23Å; D72-R109 IonicContact OD2-NH1 3.73Å; D72-R109 IonicContact OD2-NH2 3.81Å; D72-R109 PolarHBondContact OD2-NH2 2.76Å
73	T	92.2	Very high	94.1	Very high	126 Å²	126	42.2 Å²	42.2	77%	0.773	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-45.2	179.4	-52.8	0	0	0	0	111.9	N71 S75	N71-T73 VanDerWaalsContact C-N 3.32Å; N71-T73 PolarHBondContact O-N 3.31Å; N71-T73 PolarHBondContact OD1-N 3.48Å; T73-S75 VanDerWaalsContact C-N 3.26Å; T73-S75 PolarHBondContact O-N 2.94Å
74	E	93.8	Very high	93.9	Very high	140 Å²	140	45.2 Å²	45.2	65%	0.654	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-2.7	177.2	-66.2	178.5	179.2	0	0	113.1	N71	N71-E74 HydrophobicContact CB-CB 4.32Å; N71-E74 WeakPolarHBondContact ND2-CG 3.29Å; N71-E74 PolarHBondContact ND2-OE2 3.01Å; N71-E74 PolarHBondContact OD1-N 3.29Å
75	S	93.9	Very high	93.9	Very high	21 Å²	21	48 Å²	48	15%	0.147	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	51.8	-174.6	-49.3	0	0	0	0	112.1	N71 D72 T73 R109 F110 K111	N71-S75 WeakPolarHBondContact O-CA 3.47Å; N71-S75 PolarHBondContact O-N 3.39Å; D72-S75 PolarHBondContact O-N 2.99Å; T73-S75 VanDerWaalsContact C-N 3.26Å; T73-S75 PolarHBondContact O-N 2.94Å; S75-R109 WeakPolarHBondContact CB-O 3.29Å; S75-R109 PolarHBondContact OG-NH1 2.69Å; S75-F110 VanDerWaalsContact C-CD1 3.49Å; S75-F110 CarbonylContact O-C 3.56Å; S75-F110 VanDerWaalsContact O-CA 3.3Å; S75-F110 WeakPolarHBondContact O-CA 3.41Å; S75-K111 PolarHBondContact O-N 2.93Å
76	W	96.5	Very high	93.8	Very high	83 Å²	83	50.1 Å²	50.1	31%	0.314	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.9	-179.5	177.8	82.2	0	0	0	111.3	N69 N71 C78 E113	N69-W76 HydrophobicContact CB-CH2 4.3Å; N69-W76 HydrophobicContact CB-CZ3 3.91Å; N71-W76 HydrophobicContact CB-CE3 4.38Å; N71-W76 PolarHBondContact N-O 2.9Å; N71-W76 PolarHBondContact O-N 3.28Å; W76-C78 HydrophobicContact CH2-CB 3.29Å; W76-C78 HydrophobicContact CZ2-CB 3.29Å; W76-C78 HydrophobicContact CZ3-CB 3.94Å; W76-E113 WeakPolarHBondContact CZ2-OE2 3.3Å; W76-E113 PolarHBondContact NE1-OE2 3.48Å
77	V	96.8	Very high	93.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	124.8	176	174.4	0	0	0	0	108	I41 N69 V70 V79 L102 L106 F110 K111 E113	I41-V77 HydrophobicContact CD1-CG1 4.38Å; I41-V77 HydrophobicContact CD1-CG2 4.27Å; I41-V77 HydrophobicContact CG1-CG1 4.24Å; I41-V77 HydrophobicContact CG1-CG2 4.5Å; I41-V77 HydrophobicContact CG2-CG1 4.11Å; N69-V77 WeakPolarHBondContact O-CA 3.44Å; V70-V77 HydrophobicContact CG1-CG2 4.09Å; V70-V77 HydrophobicContact CG2-CG1 4.43Å; V70-V77 HydrophobicContact CG2-CG2 4.3Å; V77-V79 HydrophobicContact CG1-CG2 4.03Å; V77-L102 HydrophobicContact CG1-CD1 4.5Å; V77-L106 HydrophobicContact CG2-CD1 4.1Å; V77-F110 HydrophobicContact CG2-CD1 3.69Å; V77-F110 HydrophobicContact CG2-CE1 4.08Å; V77-F110 HydrophobicContact CG2-CG 4.45Å; V77-K111 PolarHBondContact N-O 3.03Å; V77-E113 PolarHBondContact O-N 3.37Å
78	C	96.9	Very high	93.2	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.027	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.7	171.2	-177.3	0	0	0	0	109.9	N69 W76 E113	N69-C78 HydrophobicContact CB-CB 4.39Å; N69-C78 PolarHBondContact N-O 3.41Å; N69-C78 PolarHBondContact O-N 2.98Å; W76-C78 HydrophobicContact CH2-CB 3.29Å; W76-C78 HydrophobicContact CZ2-CB 3.29Å; W76-C78 HydrophobicContact CZ3-CB 3.94Å; C78-E113 CarbonylContact C-O 3.53Å; C78-E113 WeakPolarHBondContact CA-O 3.39Å; C78-E113 HydrophobicContact CB-CB 4.36Å
79	V	97.1	Very high	92.9	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.3	176.4	178.8	0	0	0	0	109.1	I41 I45 L63 I68 V77 I98 L102 E113 V114 K115	I41-V79 HydrophobicContact CG2-CG2 3.98Å; I45-V79 HydrophobicContact CD1-CG1 3.77Å; I45-V79 HydrophobicContact CD1-CG2 4.43Å; L63-V79 HydrophobicContact CD2-CG1 3.92Å; I68-V79 HydrophobicContact CG1-CG1 4.35Å; I68-V79 HydrophobicContact CG1-CG2 4.35Å; I68-V79 HydrophobicContact CG2-CG2 4.42Å; V77-V79 HydrophobicContact CG1-CG2 4.03Å; V79-I98 HydrophobicContact CB-CG2 4.44Å; V79-I98 HydrophobicContact CG1-CG2 4.07Å; V79-L102 HydrophobicContact CG2-CD1 3.78Å; V79-E113 PolarHBondContact N-O 3.36Å; V79-V114 WeakPolarHBondContact O-CA 3.32Å; V79-K115 PolarHBondContact O-N 2.88Å
80	E	96.9	Very high	92.7	Very high	51 Å²	51	49.1 Å²	49.1	24%	0.238	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	138.3	169.8	-67.5	172	-166.4	0	0	110.5	W67 K115	W67-E80 HydrophobicContact CB-CB 4Å; W67-E80 WeakPolarHBondContact CB-O 3.34Å; W67-E80 PolarHBondContact O-N 2.88Å; E80-K115 CarbonylContact C-O 3.52Å; E80-K115 VanDerWaalsContact CA-O 3.23Å; E80-K115 WeakPolarHBondContact CA-O 3.49Å; E80-K115 HydrophobicContact CG-CB 4.3Å
81	Y	95.9	Very high	92.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	151.1	177.1	73.5	-79.8	0	0	0	111.2	V62 P83 A91 I94 I98 V114 K115 V116 K117 L131	V62-Y81 HydrophobicContact CG1-CD2 4.09Å; V62-Y81 CarbonylContact O-C 3.55Å; V62-Y81 WeakPolarHBondContact O-CA 3.38Å; V62-Y81 WeakPolarHBondContact O-CB 3.14Å; Y81-P83 HydrophobicContact CD2-CG 4.44Å; Y81-P83 HydrophobicContact CE2-CG 4.09Å; Y81-A91 PolarHBondContact OH-O 3.04Å; Y81-I94 HydrophobicContact CD2-CG2 3.85Å; Y81-I94 HydrophobicContact CE2-CB 4.22Å; Y81-I94 HydrophobicContact CE2-CG2 3.98Å; Y81-I98 HydrophobicContact CD1-CD1 4.11Å; Y81-I98 HydrophobicContact CG-CD1 3.96Å; Y81-V114 HydrophobicContact CD1-CG1 3.85Å; Y81-V114 HydrophobicContact CE1-CG1 3.81Å; Y81-K115 WeakPolarHBondContact CD1-O 3.5Å; Y81-K115 WeakPolarHBondContact CE1-O 3.41Å; Y81-K115 PolarHBondContact N-O 3.43Å; Y81-V116 HydrophobicContact CE1-CG2 3.91Å; Y81-V116 HydrophobicContact CE2-CG2 4.16Å; Y81-V116 CarbonylContact O-C 3.59Å; Y81-V116 WeakPolarHBondContact O-CA 3.32Å; Y81-V116 VanDerWaalsContact OH-CG2 3.23Å; Y81-V116 WeakPolarHBondContact OH-CG2 3.48Å; Y81-K117 PolarHBondContact O-N 2.91Å; Y81-L131 HydrophobicContact CE1-CD1 4.14Å
82	S	94.1	Very high	92.5	Very high	27 Å²	27	46.9 Å²	46.9	19%	0.189	27%	0.273	C	S	.	.			trans	-116	111.6	179.4	-177.8	0	0	0	0	109.6	V62 T120	V62-S82 VanDerWaalsContact CA-O 3.31Å; V62-S82 WeakPolarHBondContact CA-O 3.18Å; V62-S82 WeakPolarHBondContact CG1-O 3.23Å; V62-S82 PolarHBondContact O-N 2.9Å; S82-T120 WeakPolarHBondContact OG-CB 3.41Å; S82-T120 VanDerWaalsContact OG-CG2 3.31Å; S82-T120 WeakPolarHBondContact OG-CG2 3.25Å
83	P	91.8	Very high	92.6	Very high	6 Å²	6	47 Å²	47	4%	0.039	27%	0.274	C	S	.	.			trans	-54.3	153.8	168.8	-23.7	34.5	0	0	0	111.5	Y81 I85 C88 A91 V116 H121	Y81-P83 HydrophobicContact CD2-CG 4.44Å; Y81-P83 HydrophobicContact CE2-CG 4.09Å; P83-I85 VanDerWaalsContact C-N 3.26Å; P83-I85 PolarHBondContact O-N 3.16Å; P83-C88 HydrophobicContact CB-CB 4Å; P83-A91 HydrophobicContact CB-CB 4.2Å; P83-A91 HydrophobicContact CG-CB 3.62Å; P83-V116 HydrophobicContact CG-CG1 4.35Å; P83-H121 HydrophobicContact CG-CB 4.32Å
84	T	88.1	Confident	92.7	Very high	72 Å²	72	41.2 Å²	41.2	44%	0.442	24%	0.238	S	C	.	.	S	Bend	trans	-69.1	-25.5	-179.8	51.5	0	0	0	0	112.8	L60 V62	L60-T84 HydrophobicContact CB-CG2 4.32Å; V62-T84 HydrophobicContact CG2-CG2 3.92Å
85	I	90.1	Very high	92.8	Very high	109 Å²	109	34.5 Å²	34.5	56%	0.559	21%	0.207	S	C	*	.	S	Bend	trans	-137.7	139.7	-177.7	-53.7	175.6	0	0	0	109.2	P83 G87 C88	P83-I85 VanDerWaalsContact C-N 3.26Å; P83-I85 PolarHBondContact O-N 3.16Å; I85-G87 PolarHBondContact O-N 3.05Å; I85-G87 VanDerWaalsContact O-N 3.14Å; I85-C88 VanDerWaalsContact O-CB 3.3Å; I85-C88 WeakPolarHBondContact O-CB 3.46Å; I85-C88 PolarHBondContact O-N 3.16Å; I85-C88 VanDerWaalsContact O-N 3.15Å
86	P	87.2	Confident	92.9	Very high	65 Å²	65	34.1 Å²	34.1	42%	0.422	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.4	-178.2	-27.7	35.4	0	0	0	116.6	T120 H121 D122	P86-T120 WeakPolarHBondContact CA-O 3.33Å; P86-H121 CarbonylContact O-C 3.58Å; P86-H121 WeakPolarHBondContact O-CA 3.38Å; P86-H121 PolarHBondContact O-CD2 2.78Å; P86-H121 PolarHBondContact O-NE2 3.34Å; P86-D122 PolarHBondContact O-N 2.87Å
87	G	86.9	Confident	92.8	Very high	52 Å²	52	30.2 Å²	30.2	54%	0.536	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	23.1	178.7	0	0	0	0	0	114.1	I85 S89	I85-G87 PolarHBondContact O-N 3.05Å; I85-G87 VanDerWaalsContact O-N 3.14Å; G87-S89 PolarHBondContact O-N 3.39Å; G87-S89 VanDerWaalsContact O-N 3.13Å
88	C	86.8	Confident	92.8	Very high	16 Å²	16	30.2 Å²	30.2	11%	0.108	19%	0.189	C	C	.	.			trans	-63.8	111.8	-175.4	-177.7	0	0	0	0	111.8	P83 I85 M90 A91 H121	P83-C88 HydrophobicContact CB-CB 4Å; I85-C88 VanDerWaalsContact O-CB 3.3Å; I85-C88 WeakPolarHBondContact O-CB 3.46Å; I85-C88 PolarHBondContact O-N 3.16Å; I85-C88 VanDerWaalsContact O-N 3.15Å; C88-M90 PolarHBondContact O-N 3Å; C88-M90 VanDerWaalsContact O-N 3.15Å; C88-M90 PolarHBondContact SG-N 2.86Å; C88-A91 HydrophobicContact CB-CB 4.4Å; C88-A91 WeakPolarHBondContact O-CB 3.45Å; C88-A91 PolarHBondContact O-N 2.87Å; C88-H121 PolarHBondContact N-NE2 2.85Å; C88-H121 PolarHBondContact O-NE2 3.25Å; C88-H121 VanDerWaalsContact O-NE2 3.1Å
89	S	88.3	Confident	92.8	Very high	93 Å²	93	31 Å²	31	65%	0.65	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-22.2	175.6	60.8	0	0	0	0	113.3	G87	G87-S89 PolarHBondContact O-N 3.39Å; G87-S89 VanDerWaalsContact O-N 3.13Å
90	M	91.2	Very high	92.7	Very high	61 Å²	61	31.2 Å²	31.2	30%	0.3	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-1.1	-178.9	-62.8	-60.4	151	0	0	114.1	P51 E52 C88 T92 L93 I94	P51-M90 HydrophobicContact CG-CB 3.78Å; P51-M90 HydrophobicContact CG-CG 4.12Å; E52-M90 HydrophobicContact CG-CG 3.87Å; E52-M90 WeakPolarHBondContact OE1-CG 3.35Å; C88-M90 PolarHBondContact O-N 3Å; C88-M90 VanDerWaalsContact O-N 3.15Å; C88-M90 PolarHBondContact SG-N 2.86Å; M90-T92 VanDerWaalsContact C-N 3.31Å; M90-T92 PolarHBondContact O-N 3.32Å; M90-L93 WeakPolarHBondContact O-CB 3.08Å; M90-L93 PolarHBondContact O-N 2.82Å; M90-L93 HydrophobicContact SD-CD2 4.02Å; M90-I94 WeakPolarHBondContact O-CG1 3.35Å; M90-I94 PolarHBondContact O-N 3.4Å
91	A	93.5	Very high	92.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-54.3	-46.4	179	0	0	0	0	0	111.9	Y81 P83 C88 L93 I94 G95 I127	Y81-A91 PolarHBondContact OH-O 3.04Å; P83-A91 HydrophobicContact CB-CB 4.2Å; P83-A91 HydrophobicContact CG-CB 3.62Å; C88-A91 HydrophobicContact CB-CB 4.4Å; C88-A91 WeakPolarHBondContact O-CB 3.45Å; C88-A91 PolarHBondContact O-N 2.87Å; A91-L93 VanDerWaalsContact C-N 3.29Å; A91-L93 PolarHBondContact O-N 3.2Å; A91-I94 PolarHBondContact O-N 3.24Å; A91-G95 PolarHBondContact O-N 3.15Å; A91-I127 HydrophobicContact CB-CD1 3.73Å
92	T	93.4	Very high	92.6	Very high	43 Å²	43	31.1 Å²	31.1	26%	0.264	19%	0.192	S	C	.	.	H	α-helix	trans	-59.2	-38.7	176	-50.7	0	0	0	0	112.8	M90 G95 L96	M90-T92 VanDerWaalsContact C-N 3.31Å; M90-T92 PolarHBondContact O-N 3.32Å; T92-G95 PolarHBondContact O-N 3.34Å; T92-L96 WeakPolarHBondContact O-CB 3.44Å; T92-L96 PolarHBondContact O-N 3.04Å
93	L	93.8	Very high	92.6	Very high	19 Å²	19	34 Å²	34	10%	0.099	20%	0.204	C	C	.	.	H	α-helix	trans	-69.9	-39.7	180	-173.6	68.3	0	0	0	111.2	P51 M90 A91 L96 A97 L149 V150	P51-L93 HydrophobicContact CB-CD2 3.6Å; P51-L93 HydrophobicContact CG-CD2 4.01Å; M90-L93 WeakPolarHBondContact O-CB 3.08Å; M90-L93 PolarHBondContact O-N 2.82Å; M90-L93 HydrophobicContact SD-CD2 4.02Å; A91-L93 VanDerWaalsContact C-N 3.29Å; A91-L93 PolarHBondContact O-N 3.2Å; L93-L96 PolarHBondContact O-N 2.89Å; L93-A97 WeakPolarHBondContact O-CB 3.32Å; L93-A97 PolarHBondContact O-N 2.8Å; L93-L149 HydrophobicContact CD1-CB 4.47Å; L93-L149 HydrophobicContact CD2-CB 4.45Å; L93-V150 HydrophobicContact CD1-CG2 3.98Å
94	I	94.5	Very high	92.8	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.015	23%	0.228	C	C	.	.	H	α-helix	trans	-59.9	-50.8	173.7	-66.5	168.4	0	0	0	109.8	P51 L57 V62 Y81 M90 A91 L96 A97 I98	P51-I94 HydrophobicContact CG-CG1 4.16Å; L57-I94 HydrophobicContact CD1-CG2 3.83Å; L57-I94 HydrophobicContact CD2-CG2 3.94Å; V62-I94 HydrophobicContact CG1-CG2 4.09Å; Y81-I94 HydrophobicContact CD2-CG2 3.85Å; Y81-I94 HydrophobicContact CE2-CB 4.22Å; Y81-I94 HydrophobicContact CE2-CG2 3.98Å; M90-I94 WeakPolarHBondContact O-CG1 3.35Å; M90-I94 PolarHBondContact O-N 3.4Å; A91-I94 PolarHBondContact O-N 3.24Å; I94-L96 VanDerWaalsContact C-N 3.3Å; I94-L96 PolarHBondContact O-N 3.3Å; I94-A97 PolarHBondContact O-N 3.42Å; I94-A97 VanDerWaalsContact O-N 3.16Å; I94-I98 HydrophobicContact CG2-CD1 3.97Å; I94-I98 WeakPolarHBondContact O-CG1 3.37Å; I94-I98 PolarHBondContact O-N 2.95Å
95	G	95.5	Very high	93	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.6	-39	176.6	0	0	0	0	0	113	A91 T92 K99	A91-G95 PolarHBondContact O-N 3.15Å; T92-G95 PolarHBondContact O-N 3.34Å; G95-K99 WeakPolarHBondContact O-CB 3.38Å; G95-K99 PolarHBondContact O-N 3.06Å
96	L	95.6	Very high	93.2	Very high	13 Å²	13	34.6 Å²	34.6	7%	0.068	20%	0.199	C	C	.	.	H	α-helix	trans	-65.4	-42.4	175	-176.1	62.3	0	0	0	111.6	T92 L93 I94 K99 V100 L131 V137 A140 L141 V150	T92-L96 WeakPolarHBondContact O-CB 3.44Å; T92-L96 PolarHBondContact O-N 3.04Å; L93-L96 PolarHBondContact O-N 2.89Å; I94-L96 VanDerWaalsContact C-N 3.3Å; I94-L96 PolarHBondContact O-N 3.3Å; L96-K99 PolarHBondContact O-N 2.89Å; L96-V100 HydrophobicContact CD1-CG2 4.23Å; L96-V100 HydrophobicContact CG-CG2 4.4Å; L96-V100 WeakPolarHBondContact O-CB 3.45Å; L96-V100 VanDerWaalsContact O-CG2 3.22Å; L96-V100 WeakPolarHBondContact O-CG2 3.43Å; L96-V100 PolarHBondContact O-N 3.28Å; L96-L131 HydrophobicContact CB-CD2 4.41Å; L96-V137 HydrophobicContact CD1-CG1 3.86Å; L96-V137 HydrophobicContact CD1-CG2 4.41Å; L96-A140 HydrophobicContact CD2-CB 4.27Å; L96-L141 HydrophobicContact CD1-CD2 4.46Å; L96-V150 HydrophobicContact CD2-CG2 3.93Å; L96-V150 HydrophobicContact CG-CG2 4.13Å
97	A	95.6	Very high	93.6	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-62.3	-45.2	177.3	0	0	0	0	0	111.8	I48 L93 I94 K99 V100 K101 V150 C153	I48-A97 HydrophobicContact CG2-CB 4.1Å; L93-A97 WeakPolarHBondContact O-CB 3.32Å; L93-A97 PolarHBondContact O-N 2.8Å; I94-A97 PolarHBondContact O-N 3.42Å; I94-A97 VanDerWaalsContact O-N 3.16Å; A97-K99 PolarHBondContact O-N 2.81Å; A97-V100 PolarHBondContact O-N 2.93Å; A97-K101 WeakPolarHBondContact O-CB 3.37Å; A97-K101 PolarHBondContact O-N 3.25Å; A97-V150 HydrophobicContact CB-CG1 4.49Å; A97-C153 HydrophobicContact CB-CB 4.13Å
98	I	96.1	Very high	93.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57	-50.2	173.5	-66.2	162.2	0	0	0	110.1	I45 I48 L57 L63 V79 Y81 I94 V100 K101 L102 V114	I45-I98 HydrophobicContact CG2-CG2 4.2Å; I48-I98 HydrophobicContact CD1-CB 4.44Å; I48-I98 HydrophobicContact CD1-CG1 4Å; L57-I98 HydrophobicContact CD1-CD1 4.03Å; L57-I98 HydrophobicContact CD1-CG1 3.95Å; L63-I98 HydrophobicContact CD1-CD1 4.43Å; L63-I98 HydrophobicContact CD2-CD1 3.94Å; V79-I98 HydrophobicContact CB-CG2 4.44Å; V79-I98 HydrophobicContact CG1-CG2 4.07Å; Y81-I98 HydrophobicContact CD1-CD1 4.11Å; Y81-I98 HydrophobicContact CG-CD1 3.96Å; I94-I98 HydrophobicContact CG2-CD1 3.97Å; I94-I98 WeakPolarHBondContact O-CG1 3.37Å; I94-I98 PolarHBondContact O-N 2.95Å; I98-V100 PolarHBondContact O-N 3.08Å; I98-K101 PolarHBondContact O-N 3.09Å; I98-L102 HydrophobicContact CG2-CD1 4.1Å; I98-L102 WeakPolarHBondContact O-CG 3.45Å; I98-L102 PolarHBondContact O-N 3.42Å; I98-V114 HydrophobicContact CB-CG1 4.33Å; I98-V114 HydrophobicContact CG2-CG1 4.14Å; I98-V114 HydrophobicContact CG2-CG2 4.02Å
99	K	95.9	Very high	94.3	Very high	20 Å²	20	48.1 Å²	48.1	9%	0.087	23%	0.231	C	C	.	.	H	α-helix	trans	-60	-45.4	-179.2	-168.3	169.4	-173.2	177.9	0	111.8	G95 L96 A97 L102 I103 I112 V114 L131 V137	G95-K99 WeakPolarHBondContact O-CB 3.38Å; G95-K99 PolarHBondContact O-N 3.06Å; L96-K99 PolarHBondContact O-N 2.89Å; A97-K99 PolarHBondContact O-N 2.81Å; K99-L102 PolarHBondContact O-N 3.28Å; K99-I103 HydrophobicContact CG-CD1 3.86Å; K99-I103 WeakPolarHBondContact O-CB 3.5Å; K99-I103 WeakPolarHBondContact O-CD1 3.22Å; K99-I103 WeakPolarHBondContact O-CG1 3.41Å; K99-I103 PolarHBondContact O-N 3.37Å; K99-I112 HydrophobicContact CG-CG2 4.46Å; K99-V114 HydrophobicContact CB-CG2 3.9Å; K99-V114 HydrophobicContact CG-CG2 4.29Å; K99-L131 PolarHBondContact NZ-O 3.21Å; K99-V137 HydrophobicContact CD-CG1 4.3Å; K99-V137 HydrophobicContact CD-CG2 4.26Å
100	V	95.6	Very high	94.6	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.024	20%	0.203	C	C	.	.	H	α-helix	trans	-66.1	-40.5	179	173.3	0	0	0	0	111.7	L96 A97 I98 I103 R104 L141 V150 L154	L96-V100 HydrophobicContact CD1-CG2 4.23Å; L96-V100 HydrophobicContact CG-CG2 4.4Å; L96-V100 WeakPolarHBondContact O-CB 3.45Å; L96-V100 VanDerWaalsContact O-CG2 3.22Å; L96-V100 WeakPolarHBondContact O-CG2 3.43Å; L96-V100 PolarHBondContact O-N 3.28Å; A97-V100 PolarHBondContact O-N 2.93Å; I98-V100 PolarHBondContact O-N 3.08Å; V100-I103 PolarHBondContact O-N 2.88Å; V100-R104 HydrophobicContact CG1-CG 4.48Å; V100-R104 WeakPolarHBondContact O-CB 3.19Å; V100-R104 WeakPolarHBondContact O-CG 3.49Å; V100-R104 PolarHBondContact O-N 3.28Å; V100-L141 HydrophobicContact CG2-CD1 3.97Å; V100-L141 HydrophobicContact CG2-CD2 3.46Å; V100-L141 VanDerWaalsContact CG2-CD2 3.46Å; V100-L141 HydrophobicContact CG2-CG 4.31Å; V100-V150 HydrophobicContact CB-CG1 3.97Å; V100-V150 HydrophobicContact CG1-CG1 3.97Å; V100-V150 HydrophobicContact CG2-CG1 4.09Å; V100-L154 HydrophobicContact CB-CD1 4.37Å; V100-L154 HydrophobicContact CG1-CD1 3.81Å
101	K	95.5	Very high	94.9	Very high	49 Å²	49	48.9 Å²	48.9	21%	0.213	22%	0.221	C	C	.	.	H	α-helix	trans	-58.1	-50.2	175.8	-176.3	55.3	167.4	-172	0	110.8	H44 I45 I48 A97 I98 R104 S105 L154	H44-K101 WeakPolarHBondContact O-CE 3.44Å; H44-K101 WeakPolarHBondContact O-CG 3.47Å; I45-K101 HydrophobicContact CG2-CG 4.45Å; I48-K101 HydrophobicContact CD1-CB 3.81Å; I48-K101 HydrophobicContact CD1-CG 4.04Å; I48-K101 HydrophobicContact CG1-CB 4.49Å; I48-K101 HydrophobicContact CG1-CG 4.36Å; A97-K101 WeakPolarHBondContact O-CB 3.37Å; A97-K101 PolarHBondContact O-N 3.25Å; I98-K101 PolarHBondContact O-N 3.09Å; K101-R104 PolarHBondContact O-N 3.29Å; K101-S105 WeakPolarHBondContact O-CB 3.35Å; K101-S105 PolarHBondContact O-N 3.07Å; K101-S105 PolarHBondContact O-OG 3.17Å; K101-L154 HydrophobicContact CB-CD2 3.72Å; K101-L154 HydrophobicContact CD-CD2 4.17Å; K101-L154 HydrophobicContact CG-CD2 4.25Å
102	L	95.9	Very high	95	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.1	-39	179.9	-66	177.2	0	0	0	112.4	I41 H44 I45 V77 V79 I98 K99 R104 S105 L106 I112	I41-L102 HydrophobicContact CD1-CD2 4.39Å; I41-L102 HydrophobicContact CG2-CD2 3.98Å; H44-L102 HydrophobicContact CB-CD2 4.34Å; I45-L102 HydrophobicContact CG2-CD1 4.3Å; I45-L102 HydrophobicContact CG2-CD2 3.62Å; I45-L102 HydrophobicContact CG2-CG 3.84Å; V77-L102 HydrophobicContact CG1-CD1 4.5Å; V79-L102 HydrophobicContact CG2-CD1 3.78Å; I98-L102 HydrophobicContact CG2-CD1 4.1Å; I98-L102 WeakPolarHBondContact O-CG 3.45Å; I98-L102 PolarHBondContact O-N 3.42Å; K99-L102 PolarHBondContact O-N 3.28Å; L102-R104 PolarHBondContact O-N 2.94Å; L102-S105 PolarHBondContact O-N 3.08Å; L102-L106 HydrophobicContact CB-CD1 4.21Å; L102-L106 HydrophobicContact CD2-CD1 4.18Å; L102-L106 HydrophobicContact CD2-CG 4.48Å; L102-L106 VanDerWaalsContact O-CB 3.29Å; L102-L106 WeakPolarHBondContact O-CB 3.43Å; L102-L106 WeakPolarHBondContact O-CG 3.4Å; L102-L106 PolarHBondContact O-N 3.46Å; L102-I112 VanDerWaalsContact C-CD1 3.47Å; L102-I112 HydrophobicContact CB-CD1 3.68Å; L102-I112 HydrophobicContact CB-CG1 4.21Å; L102-I112 HydrophobicContact CB-CG2 3.99Å; L102-I112 HydrophobicContact CD1-CG2 3.78Å
103	I	94.5	Very high	95.2	Very high	88 Å²	88	51 Å²	51	45%	0.451	23%	0.228	S	C	.	.	H	α-helix	trans	-60.8	-36	175.1	-73	167.4	0	0	0	111.5	K99 V100 I112	K99-I103 HydrophobicContact CG-CD1 3.86Å; K99-I103 WeakPolarHBondContact O-CB 3.5Å; K99-I103 WeakPolarHBondContact O-CD1 3.22Å; K99-I103 WeakPolarHBondContact O-CG1 3.41Å; K99-I103 PolarHBondContact O-N 3.37Å; V100-I103 PolarHBondContact O-N 2.88Å; I103-I112 HydrophobicContact CB-CD1 4.37Å; I103-I112 HydrophobicContact CG1-CD1 3.72Å
104	R	94.1	Very high	95.3	Very high	141 Å²	141	50.2 Å²	50.2	53%	0.532	23%	0.225	S	C	.	.	H	α-helix	trans	-80.6	-30.6	179.4	-71.6	178.5	176.9	170.7	2.7	113.2	V100 K101 L102 N151	V100-R104 HydrophobicContact CG1-CG 4.48Å; V100-R104 WeakPolarHBondContact O-CB 3.19Å; V100-R104 WeakPolarHBondContact O-CG 3.49Å; V100-R104 PolarHBondContact O-N 3.28Å; K101-R104 PolarHBondContact O-N 3.29Å; L102-R104 PolarHBondContact O-N 2.94Å; R104-N151 PolarHBondContact NH1-OD1 3.15Å; R104-N151 PolarHBondContact NH2-OD1 2.79Å
105	S	93.3	Very high	95.4	Very high	46 Å²	46	53.5 Å²	53.5	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-91.6	-33.3	-175.6	-71.1	0	0	0	0	113.8	K101 L102	K101-S105 WeakPolarHBondContact O-CB 3.35Å; K101-S105 PolarHBondContact O-N 3.07Å; K101-S105 PolarHBondContact O-OG 3.17Å; L102-S105 PolarHBondContact O-N 3.08Å
106	L	94.4	Very high	95.5	Very high	13 Å²	13	53.5 Å²	53.5	7%	0.068	24%	0.239	C	C	.	.	S	Bend	trans	-93.1	153.1	-174.2	-62.1	179.3	0	0	0	113.4	I36 I41 V77 L102 F110 I112	I36-L106 HydrophobicContact CD1-CD2 3.87Å; I36-L106 HydrophobicContact CG2-CD2 4.4Å; I41-L106 HydrophobicContact CD1-CD1 3.73Å; I41-L106 HydrophobicContact CD1-CD2 3.54Å; I41-L106 HydrophobicContact CD1-CG 4.17Å; V77-L106 HydrophobicContact CG2-CD1 4.1Å; L102-L106 HydrophobicContact CB-CD1 4.21Å; L102-L106 HydrophobicContact CD2-CD1 4.18Å; L102-L106 HydrophobicContact CD2-CG 4.48Å; L102-L106 VanDerWaalsContact O-CB 3.29Å; L102-L106 WeakPolarHBondContact O-CB 3.43Å; L102-L106 WeakPolarHBondContact O-CG 3.4Å; L102-L106 PolarHBondContact O-N 3.46Å; L106-F110 HydrophobicContact CB-CB 4.48Å; L106-F110 HydrophobicContact CB-CD2 4.37Å; L106-F110 HydrophobicContact CD1-CB 4.4Å; L106-I112 HydrophobicContact CD1-CD1 4.27Å; L106-I112 HydrophobicContact CD1-CG1 4.21Å
107	P	94.6	Very high	95.5	Very high	64 Å²	64	56 Å²	56	42%	0.416	25%	0.249	S	C	.	.			trans	-57.9	141	170.2	-23.6	33.3	0	0	0	112.1	I36 R109 F110	I36-P107 HydrophobicContact CD1-CG 4.47Å; P107-R109 HydrophobicContact CB-CG 4.23Å; P107-R109 PolarHBondContact O-N 3.44Å; P107-F110 HydrophobicContact CB-CD2 4.28Å; P107-F110 HydrophobicContact CG-CD2 4.36Å; P107-F110 HydrophobicContact CG-CE2 4.31Å; P107-F110 PolarHBondContact O-N 2.85Å
108	R	93.6	Very high	95.4	Very high	257 Å²	257	60.2 Å²	60.2	97%	0.97	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-15	-176.9	-67.7	-175.1	175.3	-169.5	-1.4	115.7	F110	R108-F110 PolarHBondContact O-N 3.35Å
109	R	95	Very high	95.2	Very high	96 Å²	96	63.7 Å²	63.7	36%	0.362	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-26.2	175.4	73	-172.8	-175.3	100.9	-4	112.6	R33 D72 S75 P107	R33-R109 VanDerWaalsContact NH1-NH2 3.19Å; D72-R109 PolarHBondContact O-NH1 3.16Å; D72-R109 IonicContact OD1-NH2 3.59Å; D72-R109 PolarHBondContact OD1-NH2 3.48Å; D72-R109 IonicContact OD2-CZ 3.23Å; D72-R109 IonicContact OD2-NH1 3.73Å; D72-R109 IonicContact OD2-NH2 3.81Å; D72-R109 PolarHBondContact OD2-NH2 2.76Å; S75-R109 WeakPolarHBondContact CB-O 3.29Å; S75-R109 PolarHBondContact OG-NH1 2.69Å; P107-R109 HydrophobicContact CB-CG 4.23Å; P107-R109 PolarHBondContact O-N 3.44Å
110	F	95.7	Very high	95.1	Very high	14 Å²	14	64 Å²	64	6%	0.061	32%	0.316	C	S	.	.			trans	-76	127.4	-175.2	-78.5	-81.7	0	0	0	112.7	I36 S75 V77 L106 P107 R108	I36-F110 HydrophobicContact CB-CZ 4.23Å; I36-F110 HydrophobicContact CD1-CD2 4.33Å; I36-F110 HydrophobicContact CD1-CE2 3.45Å; I36-F110 VanDerWaalsContact CD1-CE2 3.45Å; I36-F110 HydrophobicContact CD1-CZ 3.75Å; I36-F110 HydrophobicContact CG1-CE2 4.32Å; I36-F110 HydrophobicContact CG1-CZ 4.18Å; S75-F110 VanDerWaalsContact C-CD1 3.49Å; S75-F110 CarbonylContact O-C 3.56Å; S75-F110 VanDerWaalsContact O-CA 3.3Å; S75-F110 WeakPolarHBondContact O-CA 3.41Å; V77-F110 HydrophobicContact CG2-CD1 3.69Å; V77-F110 HydrophobicContact CG2-CE1 4.08Å; V77-F110 HydrophobicContact CG2-CG 4.45Å; L106-F110 HydrophobicContact CB-CB 4.48Å; L106-F110 HydrophobicContact CB-CD2 4.37Å; L106-F110 HydrophobicContact CD1-CB 4.4Å; P107-F110 HydrophobicContact CB-CD2 4.28Å; P107-F110 HydrophobicContact CG-CD2 4.36Å; P107-F110 HydrophobicContact CG-CE2 4.31Å; P107-F110 PolarHBondContact O-N 2.85Å; R108-F110 PolarHBondContact O-N 3.35Å
111	K	95.8	Very high	94.9	Very high	155 Å²	155	64.6 Å²	64.6	67%	0.674	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	113.7	165.8	-63.7	179	-175.9	172.2	0	108.2	S75 V77	S75-K111 PolarHBondContact O-N 2.93Å; V77-K111 PolarHBondContact N-O 3.03Å
112	I	96.6	Very high	94.8	Very high	26 Å²	26	68.4 Å²	68.4	13%	0.133	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	119	-177.1	-61.1	156.3	0	0	0	109.1	K99 L102 I103 L106 V114	K99-I112 HydrophobicContact CG-CG2 4.46Å; L102-I112 VanDerWaalsContact C-CD1 3.47Å; L102-I112 HydrophobicContact CB-CD1 3.68Å; L102-I112 HydrophobicContact CB-CG1 4.21Å; L102-I112 HydrophobicContact CB-CG2 3.99Å; L102-I112 HydrophobicContact CD1-CG2 3.78Å; I103-I112 HydrophobicContact CB-CD1 4.37Å; I103-I112 HydrophobicContact CG1-CD1 3.72Å; L106-I112 HydrophobicContact CD1-CD1 4.27Å; L106-I112 HydrophobicContact CD1-CG1 4.21Å; I112-V114 HydrophobicContact CG2-CG2 4.03Å
113	E	96.7	Very high	94.7	Very high	61 Å²	61	70.9 Å²	70.9	29%	0.285	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.8	174.3	-171.3	167.3	-157.6	0	0	109	W76 V77 C78 V79 K115	W76-E113 WeakPolarHBondContact CZ2-OE2 3.3Å; W76-E113 PolarHBondContact NE1-OE2 3.48Å; V77-E113 PolarHBondContact O-N 3.37Å; C78-E113 CarbonylContact C-O 3.53Å; C78-E113 WeakPolarHBondContact CA-O 3.39Å; C78-E113 HydrophobicContact CB-CB 4.36Å; V79-E113 PolarHBondContact N-O 3.36Å; E113-K115 VanDerWaalsContact CD-CE 3.44Å; E113-K115 VanDerWaalsContact CD-NZ 3.25Å; E113-K115 HydrophobicContact CG-CD 4.43Å; E113-K115 HydrophobicContact CG-CG 4.34Å; E113-K115 WeakPolarHBondContact OE1-CE 3.31Å; E113-K115 IonicContact OE1-NZ 3.52Å; E113-K115 PolarHBondContact OE1-NZ 3.15Å; E113-K115 IonicContact OE2-NZ 3.8Å
114	V	97.1	Very high	94.7	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.024	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.3	178.8	-177.6	0	0	0	0	107.8	V79 Y81 I98 K99 I112 L131	V79-V114 WeakPolarHBondContact O-CA 3.32Å; Y81-V114 HydrophobicContact CD1-CG1 3.85Å; Y81-V114 HydrophobicContact CE1-CG1 3.81Å; I98-V114 HydrophobicContact CB-CG1 4.33Å; I98-V114 HydrophobicContact CG2-CG1 4.14Å; I98-V114 HydrophobicContact CG2-CG2 4.02Å; K99-V114 HydrophobicContact CB-CG2 3.9Å; K99-V114 HydrophobicContact CG-CG2 4.29Å; I112-V114 HydrophobicContact CG2-CG2 4.03Å; V114-L131 HydrophobicContact CG1-CD1 4.36Å
115	K	96.9	Very high	94.7	Very high	71 Å²	71	68 Å²	68	31%	0.309	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146	-176.2	-70.9	176.9	177.5	158.1	0	111.5	V79 E80 Y81 E113 N128	V79-K115 PolarHBondContact O-N 2.88Å; E80-K115 CarbonylContact C-O 3.52Å; E80-K115 VanDerWaalsContact CA-O 3.23Å; E80-K115 WeakPolarHBondContact CA-O 3.49Å; E80-K115 HydrophobicContact CG-CB 4.3Å; Y81-K115 WeakPolarHBondContact CD1-O 3.5Å; Y81-K115 WeakPolarHBondContact CE1-O 3.41Å; Y81-K115 PolarHBondContact N-O 3.43Å; E113-K115 VanDerWaalsContact CD-CE 3.44Å; E113-K115 VanDerWaalsContact CD-NZ 3.25Å; E113-K115 HydrophobicContact CG-CD 4.43Å; E113-K115 HydrophobicContact CG-CG 4.34Å; E113-K115 WeakPolarHBondContact OE1-CE 3.31Å; E113-K115 IonicContact OE1-NZ 3.52Å; E113-K115 PolarHBondContact OE1-NZ 3.15Å; E113-K115 IonicContact OE2-NZ 3.8Å; K115-N128 VanDerWaalsContact CA-OD1 3.25Å; K115-N128 WeakPolarHBondContact CA-OD1 3.28Å
116	V	96.5	Very high	94.8	Very high	1 Å²	1	71.8 Å²	71.8	1%	0.006	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	135.7	161.5	-178.8	0	0	0	0	108	Y81 P83 T120 H121 E124 I127 N128	Y81-V116 HydrophobicContact CE1-CG2 3.91Å; Y81-V116 HydrophobicContact CE2-CG2 4.16Å; Y81-V116 CarbonylContact O-C 3.59Å; Y81-V116 WeakPolarHBondContact O-CA 3.32Å; Y81-V116 VanDerWaalsContact OH-CG2 3.23Å; Y81-V116 WeakPolarHBondContact OH-CG2 3.48Å; P83-V116 HydrophobicContact CG-CG1 4.35Å; V116-T120 VanDerWaalsContact CG1-OG1 3.29Å; V116-T120 WeakPolarHBondContact CG1-OG1 3.44Å; V116-H121 HydrophobicContact CG1-CB 3.73Å; V116-E124 HydrophobicContact CB-CB 4.21Å; V116-E124 HydrophobicContact CG1-CB 4.14Å; V116-I127 HydrophobicContact CG2-CB 4.14Å; V116-I127 HydrophobicContact CG2-CD1 4.43Å; V116-I127 HydrophobicContact CG2-CG2 3.7Å; V116-N128 PolarHBondContact N-OD1 3.3Å
117	K	95.4	Very high	94.8	Very high	64 Å²	64	71.5 Å²	71.5	28%	0.278	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-62.7	132.3	177.3	-177	178.4	179.6	-175	0	109.8	W67 Y81 G119 T120	W67-K117 HydrophobicContact CD2-CD 4.11Å; W67-K117 VanDerWaalsContact CE2-NZ 3.31Å; W67-K117 HydrophobicContact CE3-CD 4.33Å; W67-K117 HydrophobicContact CH2-CD 4.18Å; W67-K117 HydrophobicContact CZ2-CD 3.95Å; W67-K117 HydrophobicContact CZ3-CD 4.35Å; Y81-K117 PolarHBondContact O-N 2.91Å; K117-G119 PolarHBondContact O-N 3.14Å; K117-T120 HydrophobicContact CB-CG2 3.81Å; K117-T120 HydrophobicContact CD-CG2 4.03Å; K117-T120 HydrophobicContact CG-CG2 3.96Å; K117-T120 WeakPolarHBondContact O-CB 3.43Å; K117-T120 WeakPolarHBondContact O-CG2 3.46Å; K117-T120 PolarHBondContact O-N 3.32Å; K117-T120 PolarHBondContact O-OG1 3.4Å
118	P	94.1	Very high	94.9	Very high	91 Å²	91	69.9 Å²	69.9	59%	0.591	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	131.1	-177.7	-27.6	34.9	0	0	0	113.3	E124	P118-E124 VanDerWaalsContact CA-OE2 3.26Å; P118-E124 WeakPolarHBondContact CA-OE2 3.34Å
119	G	93.1	Very high	95	Very high	73 Å²	73	65.1 Å²	65.1	75%	0.753	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	10.3	178.3	0	0	0	0	0	115.2	K117 E124	K117-G119 PolarHBondContact O-N 3.14Å; G119-E124 PolarHBondContact N-OE2 3.28Å
120	T	92	Very high	95	Very high	25 Å²	25	63.6 Å²	63.6	15%	0.153	34%	0.335	C	S	.	.	S	Bend	trans	-100.9	-11.5	-179.2	65.8	0	0	0	0	114.3	S82 P86 V116 K117	S82-T120 WeakPolarHBondContact OG-CB 3.41Å; S82-T120 VanDerWaalsContact OG-CG2 3.31Å; S82-T120 WeakPolarHBondContact OG-CG2 3.25Å; P86-T120 WeakPolarHBondContact CA-O 3.33Å; V116-T120 VanDerWaalsContact CG1-OG1 3.29Å; V116-T120 WeakPolarHBondContact CG1-OG1 3.44Å; K117-T120 HydrophobicContact CB-CG2 3.81Å; K117-T120 HydrophobicContact CD-CG2 4.03Å; K117-T120 HydrophobicContact CG-CG2 3.96Å; K117-T120 WeakPolarHBondContact O-CB 3.43Å; K117-T120 WeakPolarHBondContact O-CG2 3.46Å; K117-T120 PolarHBondContact O-N 3.32Å; K117-T120 PolarHBondContact O-OG1 3.4Å
121	H	92.7	Very high	95	Very high	17 Å²	17	63.1 Å²	63.1	8%	0.079	33%	0.333	C	S	.	.			trans	-146.9	141.9	-178.7	-167.7	-85.3	0	0	0	111.9	P83 P86 C88 V116 S123 E124 I127	P83-H121 HydrophobicContact CG-CB 4.32Å; P86-H121 CarbonylContact O-C 3.58Å; P86-H121 WeakPolarHBondContact O-CA 3.38Å; P86-H121 PolarHBondContact O-CD2 2.78Å; P86-H121 PolarHBondContact O-NE2 3.34Å; C88-H121 PolarHBondContact N-NE2 2.85Å; C88-H121 PolarHBondContact O-NE2 3.25Å; C88-H121 VanDerWaalsContact O-NE2 3.1Å; V116-H121 HydrophobicContact CG1-CB 3.73Å; H121-S123 VanDerWaalsContact C-N 3.29Å; H121-S123 PolarHBondContact ND1-N 3.09Å; H121-S123 PolarHBondContact O-N 3.3Å; H121-E124 HydrophobicContact CB-CB 4.47Å; H121-E124 PolarHBondContact O-N 2.98Å; H121-I127 WeakPolarHBondContact CE1-CD1 3.31Å; H121-I127 WeakPolarHBondContact ND1-CD1 3.41Å
122	D	92.9	Very high	95	Very high	130 Å²	130	59.2 Å²	59.2	70%	0.695	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-34.3	-174.8	-62.4	-28.9	0	0	0	112.3	P86	P86-D122 PolarHBondContact O-N 2.87Å
123	S	93.5	Very high	95	Very high	51 Å²	51	60.4 Å²	60.4	36%	0.357	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	34.2	179.5	-47.5	0	0	0	0	113.5	H121 D125 E126 I127	H121-S123 VanDerWaalsContact C-N 3.29Å; H121-S123 PolarHBondContact ND1-N 3.09Å; H121-S123 PolarHBondContact O-N 3.3Å; S123-D125 VanDerWaalsContact C-N 3.33Å; S123-D125 PolarHBondContact O-N 2.87Å; S123-E126 PolarHBondContact O-N 2.88Å; S123-I127 WeakPolarHBondContact O-CG1 3.46Å; S123-I127 PolarHBondContact O-N 3.31Å; S123-I127 VanDerWaalsContact O-N 3.12Å
124	E	94.1	Very high	94.9	Very high	45 Å²	45	65 Å²	65	21%	0.21	36%	0.355	C	S	.	.	H	α-helix	trans	-54.2	-44	-175.6	65.7	-178.7	-162.3	0	0	113.7	V116 P118 G119 H121 E126 I127 N128	V116-E124 HydrophobicContact CB-CB 4.21Å; V116-E124 HydrophobicContact CG1-CB 4.14Å; P118-E124 VanDerWaalsContact CA-OE2 3.26Å; P118-E124 WeakPolarHBondContact CA-OE2 3.34Å; G119-E124 PolarHBondContact N-OE2 3.28Å; H121-E124 HydrophobicContact CB-CB 4.47Å; H121-E124 PolarHBondContact O-N 2.98Å; E124-E126 PolarHBondContact O-N 2.88Å; E124-I127 PolarHBondContact O-N 3.4Å; E124-N128 VanDerWaalsContact O-CB 3.25Å; E124-N128 WeakPolarHBondContact O-CB 3.35Å; E124-N128 PolarHBondContact O-N 2.88Å; E124-N128 PolarHBondContact O-ND2 3.07Å
125	D	94.7	Very high	94.8	Very high	125 Å²	125	71.7 Å²	71.7	67%	0.668	39%	0.387	S	S	*	.	H	α-helix	trans	-64.6	-40.6	-177.8	-75.9	-29.5	0	0	0	112.4	S123 K129	S123-D125 VanDerWaalsContact C-N 3.33Å; S123-D125 PolarHBondContact O-N 2.87Å; D125-K129 VanDerWaalsContact O-CB 3.24Å; D125-K129 WeakPolarHBondContact O-CB 3.37Å; D125-K129 PolarHBondContact O-N 3.3Å
126	E	94.8	Very high	94.8	Very high	125 Å²	125	74.1 Å²	74.1	58%	0.584	39%	0.394	S	S	*	.	H	α-helix	trans	-67.9	-43	178.9	-63.9	-171.7	171.9	0	0	111.1	S123 E124 K129 Q130	S123-E126 PolarHBondContact O-N 2.88Å; E124-E126 PolarHBondContact O-N 2.88Å; E126-K129 PolarHBondContact O-N 3.46Å; E126-Q130 VanDerWaalsContact O-CG 3.26Å; E126-Q130 WeakPolarHBondContact O-CG 3.31Å; E126-Q130 PolarHBondContact O-N 3.15Å
127	I	95.3	Very high	94.7	Very high	7 Å²	7	74.7 Å²	74.7	4%	0.036	40%	0.397	C	S	.	.	H	α-helix	trans	-64.6	-46.9	177.2	-63.8	172.9	0	0	0	109.9	A91 V116 H121 S123 E124 K129 Q130 L131	A91-I127 HydrophobicContact CB-CD1 3.73Å; V116-I127 HydrophobicContact CG2-CB 4.14Å; V116-I127 HydrophobicContact CG2-CD1 4.43Å; V116-I127 HydrophobicContact CG2-CG2 3.7Å; H121-I127 WeakPolarHBondContact CE1-CD1 3.31Å; H121-I127 WeakPolarHBondContact ND1-CD1 3.41Å; S123-I127 WeakPolarHBondContact O-CG1 3.46Å; S123-I127 PolarHBondContact O-N 3.31Å; S123-I127 VanDerWaalsContact O-N 3.12Å; E124-I127 PolarHBondContact O-N 3.4Å; I127-K129 VanDerWaalsContact C-N 3.29Å; I127-K129 PolarHBondContact O-N 3.4Å; I127-Q130 WeakPolarHBondContact O-CB 3.39Å; I127-Q130 PolarHBondContact O-N 3.27Å; I127-Q130 VanDerWaalsContact O-N 3.14Å; I127-L131 HydrophobicContact CG2-CD1 3.8Å; I127-L131 HydrophobicContact CG2-CG 4.25Å; I127-L131 WeakPolarHBondContact O-CB 3.46Å; I127-L131 WeakPolarHBondContact O-CG 3.48Å; I127-L131 PolarHBondContact O-N 3.18Å
128	N	96.3	Very high	94.7	Very high	30 Å²	30	73.9 Å²	73.9	16%	0.16	40%	0.403	C	S	.	.	H	α-helix	trans	-59.7	-41.5	177.8	-72.4	-19	0	0	0	111.4	K115 V116 E124 L131 A132	K115-N128 VanDerWaalsContact CA-OD1 3.25Å; K115-N128 WeakPolarHBondContact CA-OD1 3.28Å; V116-N128 PolarHBondContact N-OD1 3.3Å; E124-N128 VanDerWaalsContact O-CB 3.25Å; E124-N128 WeakPolarHBondContact O-CB 3.35Å; E124-N128 PolarHBondContact O-N 2.88Å; E124-N128 PolarHBondContact O-ND2 3.07Å; N128-L131 PolarHBondContact O-N 3.34Å; N128-A132 VanDerWaalsContact O-CB 3.25Å; N128-A132 WeakPolarHBondContact O-CB 3.35Å; N128-A132 PolarHBondContact O-N 3.26Å
129	K	95.8	Very high	94.8	Very high	157 Å²	157	72.4 Å²	72.4	68%	0.683	40%	0.398	S	S	*	.	H	α-helix	trans	-63.8	-42.4	174.8	-173.3	177.1	-177.5	177.9	0	112.2	D125 E126 I127 A132 D133	D125-K129 VanDerWaalsContact O-CB 3.24Å; D125-K129 WeakPolarHBondContact O-CB 3.37Å; D125-K129 PolarHBondContact O-N 3.3Å; E126-K129 PolarHBondContact O-N 3.46Å; I127-K129 VanDerWaalsContact C-N 3.29Å; I127-K129 PolarHBondContact O-N 3.4Å; K129-A132 PolarHBondContact O-N 3.27Å; K129-D133 PolarHBondContact O-N 2.87Å
130	Q	95	Very high	94.8	Very high	64 Å²	64	70 Å²	70	30%	0.299	37%	0.371	S	S	.	.	H	α-helix	trans	-64.2	-42.9	176.5	-72.4	177.9	25.7	0	0	112	E126 I127 D133	E126-Q130 VanDerWaalsContact O-CG 3.26Å; E126-Q130 WeakPolarHBondContact O-CG 3.31Å; E126-Q130 PolarHBondContact O-N 3.15Å; I127-Q130 WeakPolarHBondContact O-CB 3.39Å; I127-Q130 PolarHBondContact O-N 3.27Å; I127-Q130 VanDerWaalsContact O-N 3.14Å; Q130-D133 PolarHBondContact O-N 2.9Å
131	L	95.7	Very high	94.9	Very high	4 Å²	4	71 Å²	71	2%	0.021	38%	0.375	C	S	.	.	H	α-helix	trans	-72.5	-28.9	179.4	-67.6	175.3	0	0	0	112.4	Y81 L96 K99 V114 I127 N128	Y81-L131 HydrophobicContact CE1-CD1 4.14Å; L96-L131 HydrophobicContact CB-CD2 4.41Å; K99-L131 PolarHBondContact NZ-O 3.21Å; V114-L131 HydrophobicContact CG1-CD1 4.36Å; I127-L131 HydrophobicContact CG2-CD1 3.8Å; I127-L131 HydrophobicContact CG2-CG 4.25Å; I127-L131 WeakPolarHBondContact O-CB 3.46Å; I127-L131 WeakPolarHBondContact O-CG 3.48Å; I127-L131 PolarHBondContact O-N 3.18Å; N128-L131 PolarHBondContact O-N 3.34Å
132	A	96	Very high	95	Very high	73 Å²	73	78 Å²	78	60%	0.603	41%	0.408	S	S	*	.	H	α-helix	trans	-74.1	-27.8	175.2	0	0	0	0	0	113.1	N128 K129 K134	N128-A132 VanDerWaalsContact O-CB 3.25Å; N128-A132 WeakPolarHBondContact O-CB 3.35Å; N128-A132 PolarHBondContact O-N 3.26Å; K129-A132 PolarHBondContact O-N 3.27Å; A132-K134 PolarHBondContact O-N 3.32Å
133	D	96.5	Very high	95.1	Very high	51 Å²	51	75.2 Å²	75.2	27%	0.273	39%	0.393	S	S	.	.			trans	-74.2	103.7	180	-176.8	-15.7	0	0	0	111.6	K129 Q130 E135 R136 V137	K129-D133 PolarHBondContact O-N 2.87Å; Q130-D133 PolarHBondContact O-N 2.9Å; D133-E135 VanDerWaalsContact C-N 3.29Å; D133-E135 PolarHBondContact O-N 3.44Å; D133-E135 PolarHBondContact OD1-N 3.46Å; D133-R136 HydrophobicContact CB-CB 3.87Å; D133-R136 VanDerWaalsContact CG-CB 3.46Å; D133-R136 PolarHBondContact O-N 2.87Å; D133-R136 PolarHBondContact OD1-N 3.37Å; D133-R136 WeakPolarHBondContact OD2-CB 3.48Å; D133-R136 IonicContact OD2-CZ 3.28Å; D133-R136 IonicContact OD2-NE 2.85Å; D133-R136 PolarHBondContact OD2-NE 3.11Å; D133-R136 IonicContact OD2-NH2 2.69Å; D133-V137 WeakPolarHBondContact O-CG2 3.45Å; D133-V137 PolarHBondContact O-N 2.71Å
134	K	94.2	Very high	95.2	Very high	157 Å²	157	77.6 Å²	77.6	68%	0.683	41%	0.407	S	S	*	.	H	α-helix	trans	-64.1	-31.4	-178.8	69.3	179.9	-178	176.5	0	113.5	A132 A138	A132-K134 PolarHBondContact O-N 3.32Å; K134-A138 WeakPolarHBondContact O-CB 3.45Å; K134-A138 PolarHBondContact O-N 2.73Å
135	E	96.3	Very high	95.2	Very high	145 Å²	145	78.4 Å²	78.4	68%	0.678	42%	0.422	S	S	*	.	H	α-helix	trans	-74.9	-41.7	-177.8	-65.2	-177.3	-179.4	0	0	109.7	D133 A138 A139	D133-E135 VanDerWaalsContact C-N 3.29Å; D133-E135 PolarHBondContact O-N 3.44Å; D133-E135 PolarHBondContact OD1-N 3.46Å; E135-A138 PolarHBondContact O-N 3.38Å; E135-A139 WeakPolarHBondContact O-CB 3.49Å; E135-A139 PolarHBondContact O-N 3.43Å
136	R	94.9	Very high	95.1	Very high	122 Å²	122	75.3 Å²	75.3	46%	0.46	41%	0.405	S	S	.	.	H	α-helix	trans	-63.4	-42.6	173.5	-167.7	178.6	-54.5	-143.5	-5.7	112.5	D133 A139 A140	D133-R136 HydrophobicContact CB-CB 3.87Å; D133-R136 VanDerWaalsContact CG-CB 3.46Å; D133-R136 PolarHBondContact O-N 2.87Å; D133-R136 PolarHBondContact OD1-N 3.37Å; D133-R136 WeakPolarHBondContact OD2-CB 3.48Å; D133-R136 IonicContact OD2-CZ 3.28Å; D133-R136 IonicContact OD2-NE 2.85Å; D133-R136 PolarHBondContact OD2-NE 3.11Å; D133-R136 IonicContact OD2-NH2 2.69Å; R136-A139 PolarHBondContact O-N 3.12Å; R136-A140 WeakPolarHBondContact O-CB 3.27Å; R136-A140 PolarHBondContact O-N 2.87Å
137	V	95.1	Very high	95.1	Very high	12 Å²	12	71.8 Å²	71.8	7%	0.073	39%	0.39	C	S	.	.	H	α-helix	trans	-63	-43.5	174.7	169.7	0	0	0	0	110.9	L96 K99 D133 A140 L141	L96-V137 HydrophobicContact CD1-CG1 3.86Å; L96-V137 HydrophobicContact CD1-CG2 4.41Å; K99-V137 HydrophobicContact CD-CG1 4.3Å; K99-V137 HydrophobicContact CD-CG2 4.26Å; D133-V137 WeakPolarHBondContact O-CG2 3.45Å; D133-V137 PolarHBondContact O-N 2.71Å; V137-A140 PolarHBondContact O-N 3.37Å; V137-L141 HydrophobicContact CG1-CD1 4.28Å; V137-L141 WeakPolarHBondContact O-CG 3.39Å; V137-L141 PolarHBondContact O-N 3.27Å; V137-L141 VanDerWaalsContact O-N 3.16Å
138	A	95.2	Very high	95	Very high	48 Å²	48	78.3 Å²	78.3	40%	0.397	42%	0.418	S	S	.	.	H	α-helix	trans	-61.4	-47.5	176.8	0	0	0	0	0	111.9	K134 E135 A140 L141 E142	K134-A138 WeakPolarHBondContact O-CB 3.45Å; K134-A138 PolarHBondContact O-N 2.73Å; E135-A138 PolarHBondContact O-N 3.38Å; A138-A140 VanDerWaalsContact C-N 3.3Å; A138-A140 PolarHBondContact O-N 2.71Å; A138-L141 PolarHBondContact O-N 3.36Å; A138-E142 PolarHBondContact O-N 3.28Å
139	A	96	Very high	94.9	Very high	59 Å²	59	80.9 Å²	80.9	49%	0.488	43%	0.431	S	S	.	.	H	α-helix	trans	-60.6	-37.5	177	0	0	0	0	0	112.7	E135 R136 L141 E142 N143	E135-A139 WeakPolarHBondContact O-CB 3.49Å; E135-A139 PolarHBondContact O-N 3.43Å; R136-A139 PolarHBondContact O-N 3.12Å; A139-L141 VanDerWaalsContact C-N 3.3Å; A139-L141 PolarHBondContact O-N 3.23Å; A139-E142 PolarHBondContact O-N 3.14Å; A139-N143 PolarHBondContact O-N 3.09Å
140	A	94.3	Very high	94.8	Very high	22 Å²	22	73.4 Å²	73.4	18%	0.182	40%	0.398	C	S	.	.	H	α-helix	trans	-64.2	-34.4	175.3	0	0	0	0	0	112.5	L96 R136 V137 A138 N143 L146	L96-A140 HydrophobicContact CD2-CB 4.27Å; R136-A140 WeakPolarHBondContact O-CB 3.27Å; R136-A140 PolarHBondContact O-N 2.87Å; V137-A140 PolarHBondContact O-N 3.37Å; A138-A140 VanDerWaalsContact C-N 3.3Å; A138-A140 PolarHBondContact O-N 2.71Å; A140-N143 PolarHBondContact O-N 2.77Å; A140-L146 HydrophobicContact CB-CD1 4.09Å
141	L	93.7	Very high	94.7	Very high	47 Å²	47	73.2 Å²	73.2	25%	0.246	40%	0.4	C	S	.	.	H	α-helix	trans	-78.3	-18.9	178.7	-63.6	175	0	0	0	113.8	L96 V100 V137 A138 A139 N143 L147	L96-L141 HydrophobicContact CD1-CD2 4.46Å; V100-L141 HydrophobicContact CG2-CD1 3.97Å; V100-L141 HydrophobicContact CG2-CD2 3.46Å; V100-L141 VanDerWaalsContact CG2-CD2 3.46Å; V100-L141 HydrophobicContact CG2-CG 4.31Å; V137-L141 HydrophobicContact CG1-CD1 4.28Å; V137-L141 WeakPolarHBondContact O-CG 3.39Å; V137-L141 PolarHBondContact O-N 3.27Å; V137-L141 VanDerWaalsContact O-N 3.16Å; A138-L141 PolarHBondContact O-N 3.36Å; A139-L141 VanDerWaalsContact C-N 3.3Å; A139-L141 PolarHBondContact O-N 3.23Å; L141-N143 VanDerWaalsContact C-N 3.31Å; L141-L147 HydrophobicContact CD2-CD1 4.26Å
142	E	95.3	Very high	94.6	Very high	164 Å²	164	76.8 Å²	76.8	77%	0.766	42%	0.418	S	S	*	.	H	α-helix	trans	-77.2	-19.5	170.5	-68.2	-175.9	170.3	0	0	112.5	A138 A139 P144	A138-E142 PolarHBondContact O-N 3.28Å; A139-E142 PolarHBondContact O-N 3.14Å; E142-P144 WeakPolarHBondContact O-CD 3.45Å
143	N	95.2	Very high	94.4	Very high	71 Å²	71	73.6 Å²	73.6	38%	0.38	39%	0.392	S	S	.	.	S	Bend	trans	-74.9	115.3	174.9	-176	-25.2	0	0	0	110.4	A139 A140 L141 A145 L146 L147	A139-N143 PolarHBondContact O-N 3.09Å; A140-N143 PolarHBondContact O-N 2.77Å; L141-N143 VanDerWaalsContact C-N 3.31Å; N143-A145 VanDerWaalsContact C-N 3.26Å; N143-A145 PolarHBondContact O-N 2.98Å; N143-A145 WeakPolarHBondContact OD1-CB 3.28Å; N143-A145 PolarHBondContact OD1-N 2.89Å; N143-L146 HydrophobicContact CB-CB 4.25Å; N143-L146 HydrophobicContact CB-CD1 4.11Å; N143-L146 HydrophobicContact CB-CG 4.24Å; N143-L146 PolarHBondContact O-N 3.14Å; N143-L147 WeakPolarHBondContact O-CB 2.89Å; N143-L147 PolarHBondContact O-N 2.71Å
144	P	95.3	Very high	94.2	Very high	102 Å²	102	72.3 Å²	72.3	66%	0.662	39%	0.385	S	S	*	.	H	α-helix	trans	-63.2	-29.8	-175.1	25.5	-34.9	0	0	0	113.4	E142 K148	E142-P144 WeakPolarHBondContact O-CD 3.45Å; P144-K148 WeakPolarHBondContact O-CB 3.2Å; P144-K148 PolarHBondContact O-N 3.38Å
145	A	94.2	Very high	93.9	Very high	62 Å²	62	67 Å²	67	51%	0.512	37%	0.37	S	S	.	.	H	α-helix	trans	-69.3	-47.6	178.6	0	0	0	0	0	111.3	N143 K148 L149	N143-A145 VanDerWaalsContact C-N 3.26Å; N143-A145 PolarHBondContact O-N 2.98Å; N143-A145 WeakPolarHBondContact OD1-CB 3.28Å; N143-A145 PolarHBondContact OD1-N 2.89Å; A145-K148 PolarHBondContact O-N 2.87Å; A145-L149 WeakPolarHBondContact O-CG 3.38Å; A145-L149 PolarHBondContact O-N 3.06Å; A145-L149 VanDerWaalsContact O-N 3.16Å
146	L	93.2	Very high	93.1	Very high	60 Å²	60	66.2 Å²	66.2	31%	0.314	37%	0.369	S	S	.	.	H	α-helix	trans	-66.2	-43.2	177.2	-66.9	179	0	0	0	111.2	A140 N143 K148 L149 V150	A140-L146 HydrophobicContact CB-CD1 4.09Å; N143-L146 HydrophobicContact CB-CB 4.25Å; N143-L146 HydrophobicContact CB-CD1 4.11Å; N143-L146 HydrophobicContact CB-CG 4.24Å; N143-L146 PolarHBondContact O-N 3.14Å; L146-K148 VanDerWaalsContact C-N 3.28Å; L146-K148 PolarHBondContact O-N 3.3Å; L146-L149 PolarHBondContact O-N 3.03Å; L146-L149 VanDerWaalsContact O-N 3.16Å; L146-V150 WeakPolarHBondContact O-CG2 3.24Å; L146-V150 PolarHBondContact O-N 3.12Å
147	L	93.7	Very high	91.6	Very high	51 Å²	51	66.5 Å²	66.5	27%	0.267	38%	0.376	S	S	.	.	H	α-helix	trans	-60.3	-38.9	177.8	-175	63.8	0	0	0	111.9	L141 N143 N151	L141-L147 HydrophobicContact CD2-CD1 4.26Å; N143-L147 WeakPolarHBondContact O-CB 2.89Å; N143-L147 PolarHBondContact O-N 2.71Å; L147-N151 VanDerWaalsContact O-CB 3.32Å; L147-N151 WeakPolarHBondContact O-CB 3.42Å; L147-N151 PolarHBondContact O-N 3.12Å; L147-N151 PolarHBondContact O-ND2 3.44Å
148	K	94.2	Very high	89.7	Confident	143 Å²	143	73 Å²	73	62%	0.622	41%	0.41	S	S	*	.	H	α-helix	trans	-63.1	-45.8	174.6	-175.7	177.4	-178.9	-177.4	0	111.7	P144 A145 L146 N151 N152	P144-K148 WeakPolarHBondContact O-CB 3.2Å; P144-K148 PolarHBondContact O-N 3.38Å; A145-K148 PolarHBondContact O-N 2.87Å; L146-K148 VanDerWaalsContact C-N 3.28Å; L146-K148 PolarHBondContact O-N 3.3Å; K148-N151 PolarHBondContact O-N 2.66Å; K148-N152 PolarHBondContact O-N 2.99Å; K148-N152 PolarHBondContact O-ND2 3.3Å; K148-N152 PolarHBondContact O-OD1 3.34Å
149	L	92.6	Very high	86.9	Confident	84 Å²	84	82.7 Å²	82.7	44%	0.44	45%	0.447	S	S	.	.	H	α-helix	trans	-61	-47.6	177	-69.8	173.5	0	0	0	111.5	L93 A145 L146 N151 N152 C153	L93-L149 HydrophobicContact CD1-CB 4.47Å; L93-L149 HydrophobicContact CD2-CB 4.45Å; A145-L149 WeakPolarHBondContact O-CG 3.38Å; A145-L149 PolarHBondContact O-N 3.06Å; A145-L149 VanDerWaalsContact O-N 3.16Å; L146-L149 PolarHBondContact O-N 3.03Å; L146-L149 VanDerWaalsContact O-N 3.16Å; L149-N151 PolarHBondContact O-N 2.99Å; L149-N152 WeakPolarHBondContact O-CB 2.97Å; L149-N152 PolarHBondContact O-N 3.07Å; L149-N152 VanDerWaalsContact O-N 3.17Å; L149-C153 PolarHBondContact O-N 3.43Å; L149-C153 VanDerWaalsContact O-N 3.07Å; L149-C153 PolarHBondContact O-SG 3.21Å
150	V	94.1	Very high	86.5	Confident	0 Å²	0	83.9 Å²	83.9	0%	0	45%	0.445	C	S	.	.	H	α-helix	trans	-59.8	-47.9	176.3	172.6	0	0	0	0	110.8	L93 L96 A97 V100 L146 N152 C153 L154	L93-V150 HydrophobicContact CD1-CG2 3.98Å; L96-V150 HydrophobicContact CD2-CG2 3.93Å; L96-V150 HydrophobicContact CG-CG2 4.13Å; A97-V150 HydrophobicContact CB-CG1 4.49Å; V100-V150 HydrophobicContact CB-CG1 3.97Å; V100-V150 HydrophobicContact CG1-CG1 3.97Å; V100-V150 HydrophobicContact CG2-CG1 4.09Å; L146-V150 WeakPolarHBondContact O-CG2 3.24Å; L146-V150 PolarHBondContact O-N 3.12Å; V150-N152 PolarHBondContact O-N 2.9Å; V150-C153 WeakPolarHBondContact O-CB 3.21Å; V150-C153 PolarHBondContact O-N 3.15Å; V150-C153 VanDerWaalsContact O-N 3.09Å; V150-L154 HydrophobicContact CG1-CD1 4.02Å; V150-L154 HydrophobicContact CG1-CG 4.37Å; V150-L154 VanDerWaalsContact O-CG 3.31Å; V150-L154 WeakPolarHBondContact O-CG 3.48Å; V150-L154 PolarHBondContact O-N 2.83Å; V150-L154 VanDerWaalsContact O-N 3.08Å
151	N	93.6	Very high	86.1	Confident	61 Å²	61	87.2 Å²	87.2	33%	0.326	46%	0.459	S	S	.	.	H	α-helix	trans	-61.7	-33.6	178.5	-73.3	-27.5	0	0	0	112.4	R104 L147 K148 L149 L154 A155	R104-N151 PolarHBondContact NH1-OD1 3.15Å; R104-N151 PolarHBondContact NH2-OD1 2.79Å; L147-N151 VanDerWaalsContact O-CB 3.32Å; L147-N151 WeakPolarHBondContact O-CB 3.42Å; L147-N151 PolarHBondContact O-N 3.12Å; L147-N151 PolarHBondContact O-ND2 3.44Å; K148-N151 PolarHBondContact O-N 2.66Å; L149-N151 PolarHBondContact O-N 2.99Å; N151-L154 PolarHBondContact O-N 2.95Å; N151-A155 PolarHBondContact O-N 3.15Å; N151-A155 VanDerWaalsContact O-N 3.08Å
152	N	92.4	Very high	85.6	Confident	78 Å²	78	89.4 Å²	89.4	42%	0.417	47%	0.471	S	S	.	.	H	α-helix	trans	-64	-44.1	173.3	-68.1	-16.6	0	0	0	111.2	R49 K148 L149 V150 L154 A155	R49-N152 PolarHBondContact NE-O 3.01Å; R49-N152 PolarHBondContact NH2-O 2.72Å; K148-N152 PolarHBondContact O-N 2.99Å; K148-N152 PolarHBondContact O-ND2 3.3Å; K148-N152 PolarHBondContact O-OD1 3.34Å; L149-N152 WeakPolarHBondContact O-CB 2.97Å; L149-N152 PolarHBondContact O-N 3.07Å; L149-N152 VanDerWaalsContact O-N 3.17Å; V150-N152 PolarHBondContact O-N 2.9Å; N152-L154 PolarHBondContact O-N 3.38Å; N152-A155 PolarHBondContact O-N 3.13Å
153	C	92.7	Very high	85.1	Confident	7 Å²	7	85 Å²	85	5%	0.047	45%	0.454	C	S	.	.	H	α-helix	trans	-60.4	-31.1	174.8	-64.2	0	0	0	0	112.4	I48 R49 A97 L149 V150	I48-C153 HydrophobicContact CG2-CB 4.21Å; R49-C153 PolarHBondContact N-O 3.26Å; R49-C153 WeakPolarHBondContact O-CB 3.25Å; A97-C153 HydrophobicContact CB-CB 4.13Å; L149-C153 PolarHBondContact O-N 3.43Å; L149-C153 VanDerWaalsContact O-N 3.07Å; L149-C153 PolarHBondContact O-SG 3.21Å; V150-C153 WeakPolarHBondContact O-CB 3.21Å; V150-C153 PolarHBondContact O-N 3.15Å; V150-C153 VanDerWaalsContact O-N 3.09Å
154	L	93	Very high	84.4	Confident	24 Å²	24	85.9 Å²	85.9	13%	0.126	46%	0.458	C	S	.	.	H	α-helix	trans	-89.3	-7.1	-178.5	-59.3	-176.9	0	0	0	114.8	I48 V100 K101 V150 N151 N152 I156	I48-L154 HydrophobicContact CD1-CD2 4.1Å; I48-L154 HydrophobicContact CG1-CD2 3.86Å; I48-L154 HydrophobicContact CG2-CD2 4.37Å; V100-L154 HydrophobicContact CB-CD1 4.37Å; V100-L154 HydrophobicContact CG1-CD1 3.81Å; K101-L154 HydrophobicContact CB-CD2 3.72Å; K101-L154 HydrophobicContact CD-CD2 4.17Å; K101-L154 HydrophobicContact CG-CD2 4.25Å; V150-L154 HydrophobicContact CG1-CD1 4.02Å; V150-L154 HydrophobicContact CG1-CG 4.37Å; V150-L154 VanDerWaalsContact O-CG 3.31Å; V150-L154 WeakPolarHBondContact O-CG 3.48Å; V150-L154 PolarHBondContact O-N 2.83Å; V150-L154 VanDerWaalsContact O-N 3.08Å; N151-L154 PolarHBondContact O-N 2.95Å; N152-L154 PolarHBondContact O-N 3.38Å; L154-I156 PolarHBondContact O-N 3.46Å
155	A	88.1	Confident	83.7	Confident	44 Å²	44	84.8 Å²	84.8	36%	0.364	45%	0.445	S	S	.	.			trans	-69.1	123.7	-177.7	0	0	0	0	0	110.8	N151 N152 Q157	N151-A155 PolarHBondContact O-N 3.15Å; N151-A155 VanDerWaalsContact O-N 3.08Å; N152-A155 PolarHBondContact O-N 3.13Å; A155-Q157 PolarHBondContact O-N 3.07Å
156	I	78	Confident	83	Confident	130 Å²	130	86.4 Å²	86.4	67%	0.667	44%	0.44	S	S	*	.			trans	-70.1	124.1	173.3	-57.8	171.5	0	0	0	107.5	L154 N158	L154-I156 PolarHBondContact O-N 3.46Å; I156-N158 PolarHBondContact O-N 2.99Å
157	Q	63.5	Low	82.2	Confident	128 Å²	128	88.5 Å²	88.5	60%	0.598	45%	0.449	S	S	*	.			trans	-79.3	112	166.8	-65	-157	-39.1	0	0	107.8	R49 A155 E159	R49-Q157 VanDerWaalsContact NH1-NE2 3.11Å; A155-Q157 PolarHBondContact O-N 3.07Å; Q157-E159 PolarHBondContact O-N 2.77Å
158	N	55.3	Low	81.2	Confident	149 Å²	149	91.6 Å²	91.6	80%	0.797	47%	0.465	S	S	*	.			trans	-79.7	106.7	161	-61.6	-23.7	0	0	0	105.4	I156	I156-N158 PolarHBondContact O-N 2.99Å
159	E	37.2	Very low	80	Confident	251 Å²	251	86.9 Å²	86.9	100%	1.173	45%	0.45	S	S	*	.			trans	-69.8	0	158.1	-70.1	-175.4	160.8	0	0	110.1	Q157	Q157-E159 PolarHBondContact O-N 2.77Å

Retrieved 159 of 159 residues in 77.9 ms (Link to these results)

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