G4M118_SCHMA Loading...

Smp_205000

AlphaFold DB , UniProt , Accession G4M118, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 116 aa.

						>G4M118_SCHMA|G4M118
MPLYVMIYKGRNIATELDSEHIRGKTNKTMMKANKQGKENRNLQRERQELLKGDLVSINKVMILPRHSLVTTMFWRNGSEKRKEILKLRHYFRLICRTKSSVLKNSYVFSLDAIGA
					

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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	34.4	Very low	39	Very low	172 Å²	172	59.7 Å²	59.7	85%	0.847	28%	0.281	S	S	*	.				0	131.9	0	-78	-179.3	109.8	0	0	108.1	L3	M1-L3 PolarHBondContact O-N 3.43Å
2	P	36.5	Very low	38.4	Very low	28 Å²	28	66.8 Å²	66.8	18%	0.182	32%	0.322	C	S	.	.			trans	-73.2	114.4	-178.3	30	-34.6	0	0	0	110.6	Y4 R76 D112	P2-Y4 HydrophobicContact CB-CE2 3.9Å; P2-Y4 HydrophobicContact CG-CE2 4.28Å; P2-R76 HydrophobicContact CG-CB 4.43Å; P2-D112 WeakPolarHBondContact CA-OD1 3.47Å; P2-D112 WeakPolarHBondContact CB-OD1 3.3Å; P2-D112 WeakPolarHBondContact CB-OD2 3.12Å
3	L	36.6	Very low	38	Very low	48 Å²	48	70.8 Å²	70.8	25%	0.251	34%	0.344	S	S	.	.			trans	-88.5	142.1	174.5	-172.5	63	0	0	0	107.5	M1 M73 W75 L111	M1-L3 PolarHBondContact O-N 3.43Å; L3-M73 HydrophobicContact CD2-SD 4.31Å; L3-W75 VanDerWaalsContact CD1-CD1 3.42Å; L3-W75 HydrophobicContact CD1-CD2 4.15Å; L3-W75 HydrophobicContact CD1-CG 4.11Å; L3-W75 HydrophobicContact CD1-CZ2 4.21Å; L3-L111 VanDerWaalsContact C-CB 3.46Å; L3-L111 HydrophobicContact CB-CB 3.97Å; L3-L111 HydrophobicContact CB-CD1 4.1Å; L3-L111 HydrophobicContact CD2-CD1 3.47Å; L3-L111 VanDerWaalsContact CD2-CD1 3.47Å; L3-L111 HydrophobicContact CG-CB 4.31Å; L3-L111 HydrophobicContact CG-CD1 3.58Å; L3-L111 CarbonylContact O-C 3.51Å; L3-L111 WeakPolarHBondContact O-CA 3.02Å; L3-L111 WeakPolarHBondContact O-CB 2.86Å; L3-L111 PolarHBondContact O-N 3.46Å
4	Y	40.7	Very low	37.4	Very low	24 Å²	24	72 Å²	72	9%	0.094	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.2	174.5	-66.7	-89.8	0	0	0	109.1	P2 M73 F74	P2-Y4 HydrophobicContact CB-CE2 3.9Å; P2-Y4 HydrophobicContact CG-CE2 4.28Å; Y4-M73 WeakPolarHBondContact O-CA 3.3Å; Y4-F74 PolarHBondContact N-O 3.31Å; Y4-F74 PolarHBondContact O-N 2.94Å
5	V	40.3	Very low	36.9	Very low	17 Å²	17	72.3 Å²	72.3	10%	0.103	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	115	-178.4	149.9	0	0	0	0	109.7	I7 T71 M73 F109 L111	V5-I7 HydrophobicContact CG1-CD1 3.86Å; V5-I7 HydrophobicContact CG1-CG1 3.52Å; V5-T71 HydrophobicContact CG1-CG2 3.77Å; V5-T71 HydrophobicContact CG2-CG2 4.2Å; V5-M73 HydrophobicContact CG2-CB 4.47Å; V5-M73 HydrophobicContact CG2-CG 3.45Å; V5-M73 VanDerWaalsContact CG2-CG 3.45Å; V5-M73 HydrophobicContact CG2-SD 3.82Å; V5-F109 CarbonylContact C-O 3.53Å; V5-F109 PolarHBondContact N-O 3.41Å; V5-F109 VanDerWaalsContact N-O 3.07Å; V5-F109 CarbonylContact O-C 3.53Å; V5-F109 WeakPolarHBondContact O-CA 3.3Å; V5-F109 WeakPolarHBondContact O-CB 3.46Å; V5-F109 PolarHBondContact O-N 3.06Å; V5-L111 HydrophobicContact CB-CD1 3.55Å; V5-L111 HydrophobicContact CB-CG 3.99Å; V5-L111 HydrophobicContact CG2-CD1 3.17Å; V5-L111 HydrophobicContact CG2-CG 4.14Å
6	M	47.2	Very low	36.3	Very low	19 Å²	19	79.2 Å²	79.2	9%	0.094	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.9	167.9	-112	176.1	56.6	0	0	109.1	Y8 T71 T72 F74 F92 V108	M6-Y8 HydrophobicContact CE-CD1 4.48Å; M6-T71 CarbonylContact O-C 3.55Å; M6-T71 WeakPolarHBondContact O-CA 3.27Å; M6-T72 PolarHBondContact N-O 2.78Å; M6-T72 PolarHBondContact O-N 3.33Å; M6-F74 HydrophobicContact CB-CE2 4.15Å; M6-F74 HydrophobicContact CG-CE2 4.45Å; M6-F74 HydrophobicContact SD-CE2 4.05Å; M6-F74 HydrophobicContact SD-CZ 4.44Å; M6-F92 HydrophobicContact CE-CD2 4.01Å; M6-F92 HydrophobicContact CE-CE2 4.15Å; M6-F92 HydrophobicContact SD-CD2 3.8Å; M6-F92 HydrophobicContact SD-CE2 4.21Å; M6-V108 HydrophobicContact CG-CB 4.29Å; M6-V108 HydrophobicContact CG-CG1 4.32Å; M6-V108 HydrophobicContact CG-CG2 3.84Å; M6-V108 HydrophobicContact SD-CG2 4.12Å
7	I	41.4	Very low	35.9	Very low	46 Å²	46	78.6 Å²	78.6	24%	0.236	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.6	173.8	-49.2	179.7	0	0	0	107.7	V5 L69 V70 T71 Y107	V5-I7 HydrophobicContact CG1-CD1 3.86Å; V5-I7 HydrophobicContact CG1-CG1 3.52Å; I7-L69 HydrophobicContact CG2-CB 3.82Å; I7-L69 HydrophobicContact CG2-CD1 4.16Å; I7-L69 HydrophobicContact CG2-CD2 3.8Å; I7-L69 HydrophobicContact CG2-CG 4.12Å; I7-V70 WeakPolarHBondContact CA-O 3.29Å; I7-T71 HydrophobicContact CG1-CG2 4Å; I7-Y107 PolarHBondContact N-O 3.24Å; I7-Y107 PolarHBondContact O-N 3.38Å
8	Y	45.1	Very low	35.5	Very low	5 Å²	5	80.2 Å²	80.2	2%	0.02	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.2	179.8	51	-84.1	0	0	0	111.9	M6 G10 R47 L69 V70 L103 S106	M6-Y8 HydrophobicContact CE-CD1 4.48Å; Y8-G10 PolarHBondContact O-N 3.16Å; Y8-R47 VanDerWaalsContact CE1-NH1 3.33Å; Y8-R47 PolarHBondContact OH-NH1 3.34Å; Y8-R47 PolarHBondContact OH-NH2 2.88Å; Y8-L69 CarbonylContact O-C 3.59Å; Y8-L69 WeakPolarHBondContact O-CA 3.26Å; Y8-V70 HydrophobicContact CD1-CB 4.17Å; Y8-V70 WeakPolarHBondContact CD1-O 3.34Å; Y8-V70 HydrophobicContact CD2-CB 3.77Å; Y8-V70 HydrophobicContact CD2-CG2 4.06Å; Y8-V70 HydrophobicContact CE1-CB 3.64Å; Y8-V70 HydrophobicContact CE1-CG1 3.81Å; Y8-V70 WeakPolarHBondContact CE1-O 3.35Å; Y8-V70 HydrophobicContact CE2-CB 3.25Å; Y8-V70 HydrophobicContact CE2-CG1 3.88Å; Y8-V70 HydrophobicContact CE2-CG2 3.53Å; Y8-V70 HydrophobicContact CG-CB 4.23Å; Y8-V70 PolarHBondContact N-O 3.4Å; Y8-V70 PolarHBondContact O-N 3.44Å; Y8-V70 WeakPolarHBondContact OH-CB 3.32Å; Y8-V70 WeakPolarHBondContact OH-CG1 3.44Å; Y8-L103 HydrophobicContact CD2-CD2 3.65Å; Y8-L103 HydrophobicContact CE2-CD2 4.1Å; Y8-L103 HydrophobicContact CG-CD2 3.95Å; Y8-S106 WeakPolarHBondContact CB-OG 3.36Å
9	K	36.3	Very low	35.1	Very low	120 Å²	120	80.6 Å²	80.6	52%	0.522	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	99.3	176.5	-157.9	-178.9	-175.3	-178.8	0	109.3	S68 L69 N105	K9-S68 CarbonylContact C-O 3.41Å; K9-L69 HydrophobicContact CB-CD2 3.72Å; K9-L69 HydrophobicContact CG-CD2 4Å; K9-N105 HydrophobicContact CB-CB 4.42Å; K9-N105 PolarHBondContact N-O 3.1Å; K9-N105 VanDerWaalsContact N-O 3.16Å
10	G	35.8	Very low	35	Very low	11 Å²	11	84.3 Å²	84.3	11%	0.113	44%	0.439	C	S	.	.			trans	-66.2	168	168.7	0	0	0	0	0	112.4	Y8 S68	Y8-G10 PolarHBondContact O-N 3.16Å; G10-S68 WeakPolarHBondContact CA-O 3.3Å; G10-S68 PolarHBondContact N-O 2.83Å; G10-S68 WeakPolarHBondContact O-CB 3.45Å
11	R	34.6	Very low	34.9	Very low	167 Å²	167	84.6 Å²	84.6	63%	0.63	44%	0.439	S	S	*	.	S	Bend	trans	-56.1	143.4	172.9	-80.3	179.3	171.7	176.5	-7.2	109.6	I13 S68 S101	R11-I13 VanDerWaalsContact C-N 3.33Å; R11-I13 PolarHBondContact O-N 3.16Å; R11-S68 WeakPolarHBondContact O-CB 3.38Å; R11-S68 PolarHBondContact O-OG 2.75Å; R11-S101 VanDerWaalsContact CZ-OG 3.25Å; R11-S101 PolarHBondContact NH1-OG 3.45Å; R11-S101 PolarHBondContact NH2-OG 3.24Å
12	N	32.3	Very low	34.8	Very low	144 Å²	144	84 Å²	84	77%	0.77	44%	0.437	S	S	*	.			trans	-47.2	97.2	173.7	-98.3	-4.2	0	0	0	109.4	A14 S68	N12-A14 VanDerWaalsContact C-N 3.3Å; N12-S68 VanDerWaalsContact CA-OG 3.25Å; N12-S68 WeakPolarHBondContact CA-OG 3.49Å
13	I	32.7	Very low	34.5	Very low	120 Å²	120	94 Å²	94	62%	0.615	47%	0.471	S	S	*	.			trans	-103.2	79.9	154.9	-38.8	177.4	0	0	0	100.2	R11 T15 S68	R11-I13 VanDerWaalsContact C-N 3.33Å; R11-I13 PolarHBondContact O-N 3.16Å; I13-T15 HydrophobicContact CG2-CG2 4.31Å; I13-T15 PolarHBondContact O-N 2.77Å; I13-T15 PolarHBondContact O-OG1 2.98Å; I13-S68 PolarHBondContact N-OG 3.09Å
14	A	29.2	Very low	34.1	Very low	87 Å²	87	94.4 Å²	94.4	72%	0.719	49%	0.487	S	S	*	.			trans	-64.6	71.8	154.8	0	0	0	0	0	105.4	N12 E16	N12-A14 VanDerWaalsContact C-N 3.3Å; A14-E16 VanDerWaalsContact C-N 3.32Å; A14-E16 PolarHBondContact O-N 2.81Å
15	T	30.3	Very low	33.8	Very low	76 Å²	76	103.4 Å²	103.4	47%	0.466	53%	0.526	S	S	.	.			trans	-63.6	112.6	149.7	9.3	0	0	0	0	102.6	I13 L17	I13-T15 HydrophobicContact CG2-CG2 4.31Å; I13-T15 PolarHBondContact O-N 2.77Å; I13-T15 PolarHBondContact O-OG1 2.98Å; T15-L17 PolarHBondContact O-N 3.31Å
16	E	27.1	Very low	33.8	Very low	183 Å²	183	107.3 Å²	107.3	86%	0.855	55%	0.551	S	S	*	*			trans	-44.3	80.7	161	-67.5	168.7	151.4	0	0	108.3	A14 D18	A14-E16 VanDerWaalsContact C-N 3.32Å; A14-E16 PolarHBondContact O-N 2.81Å; E16-D18 PolarHBondContact O-N 3.37Å; E16-D18 VanDerWaalsContact O-N 3.14Å
17	L	29.7	Very low	34	Very low	70 Å²	70	112.9 Å²	112.9	37%	0.366	58%	0.581	S	S	.	*			trans	-88.8	74.5	161.2	-92.1	155.6	0	0	0	103.8	T15 S19 P65	T15-L17 PolarHBondContact O-N 3.31Å; L17-S19 PolarHBondContact O-N 3.44Å; L17-P65 HydrophobicContact CB-CB 4.2Å; L17-P65 HydrophobicContact CD1-CB 3.04Å; L17-P65 HydrophobicContact CD1-CG 3.59Å; L17-P65 HydrophobicContact CG-CB 4.19Å
18	D	29.1	Very low	34.2	Very low	106 Å²	106	119 Å²	119	57%	0.567	61%	0.606	S	S	*	*			trans	-34.2	125.5	159.3	-130.7	-20	0	0	0	108.2	E16 E20	E16-D18 PolarHBondContact O-N 3.37Å; E16-D18 VanDerWaalsContact O-N 3.14Å; D18-E20 PolarHBondContact O-N 3.37Å
19	S	28	Very low	34	Very low	88 Å²	88	120.3 Å²	120.3	62%	0.615	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	9.8	-170.2	-52.6	0	0	0	0	112.5	L17 R66	L17-S19 PolarHBondContact O-N 3.44Å; S19-R66 PolarHBondContact OG-NH2 2.98Å
20	E	32.5	Very low	34.5	Very low	154 Å²	154	120.9 Å²	120.9	72%	0.72	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-7.2	-178	-62.2	-160.1	147.7	0	0	114.4	D18 I22	D18-E20 PolarHBondContact O-N 3.37Å; E20-I22 VanDerWaalsContact C-N 3.28Å; E20-I22 PolarHBondContact O-N 3.4Å; E20-I22 VanDerWaalsContact O-N 3.09Å
21	H	32.4	Very low	35.3	Very low	92 Å²	92	127.2 Å²	127.2	43%	0.426	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.9	6.4	-168.1	-98.9	66.3	0	0	0	117.3	T29	H21-T29 WeakPolarHBondContact CD2-CG2 3.28Å; H21-T29 WeakPolarHBondContact NE2-CG2 3.49Å
22	I	32.4	Very low	36	Very low	159 Å²	159	126.3 Å²	126.3	82%	0.815	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-17.5	-179.6	-64.1	-179.5	0	0	0	112.6	E20	E20-I22 VanDerWaalsContact C-N 3.28Å; E20-I22 PolarHBondContact O-N 3.4Å; E20-I22 VanDerWaalsContact O-N 3.09Å
23	R	30.4	Very low	36.8	Very low	238 Å²	238	122.5 Å²	122.5	90%	0.898	64%	0.638	S	S	*	*	S	Bend	trans	-151.7	91.4	175.7	-73.7	-175.1	173	167.2	-4.4	111.9
24	G	29.6	Very low	37.9	Very low	56 Å²	56	122.1 Å²	122.1	58%	0.577	64%	0.637	S	S	*	*			trans	-177.7	112.3	173.4	0	0	0	0	0	115.7
25	K	33.8	Very low	39.5	Very low	213 Å²	213	124.7 Å²	124.7	93%	0.926	63%	0.632	S	S	*	*			trans	-65.7	118.8	177	-64.4	168.6	172.9	175.6	0	111.1
26	T	40.6	Very low	40.7	Very low	100 Å²	100	124 Å²	124	61%	0.613	62%	0.623	S	S	*	*			trans	-168.1	147.2	156.9	16.3	0	0	0	0	111.3	K28 T29	T26-K28 VanDerWaalsContact C-N 3.32Å; T26-K28 PolarHBondContact O-N 3.28Å; T26-T29 WeakPolarHBondContact O-CB 2.84Å; T26-T29 PolarHBondContact O-N 3.13Å; T26-T29 VanDerWaalsContact O-N 3.1Å; T26-T29 PolarHBondContact O-OG1 3.31Å; T26-T29 PolarHBondContact OG1-OG1 3.02Å
27	N	51	Low	42.3	Very low	136 Å²	136	116.5 Å²	116.5	73%	0.727	60%	0.595	S	S	*	*	H	α-helix	trans	-60.2	-31.1	-172.9	-83.1	-15.9	0	0	0	115	T29 M30 M31	N27-T29 VanDerWaalsContact C-N 3.29Å; N27-T29 PolarHBondContact O-N 3.25Å; N27-M30 PolarHBondContact O-N 2.9Å; N27-M31 PolarHBondContact O-N 2.8Å
28	K	46.4	Very low	44.3	Very low	175 Å²	175	119.5 Å²	119.5	76%	0.761	61%	0.605	S	S	*	*	H	α-helix	trans	-65	-33.6	176.8	-75.4	-177.7	177	177.6	0	112.3	T26 M31 K32	T26-K28 VanDerWaalsContact C-N 3.32Å; T26-K28 PolarHBondContact O-N 3.28Å; K28-M31 PolarHBondContact O-N 3.39Å; K28-K32 PolarHBondContact O-N 3.39Å
29	T	40.8	Very low	45.9	Very low	32 Å²	32	118.2 Å²	118.2	20%	0.196	60%	0.596	C	S	.	*	H	α-helix	trans	-64.3	-42.9	176.9	-36.1	0	0	0	0	110.7	H21 T26 N27 K32 A33	H21-T29 WeakPolarHBondContact CD2-CG2 3.28Å; H21-T29 WeakPolarHBondContact NE2-CG2 3.49Å; T26-T29 WeakPolarHBondContact O-CB 2.84Å; T26-T29 PolarHBondContact O-N 3.13Å; T26-T29 VanDerWaalsContact O-N 3.1Å; T26-T29 PolarHBondContact O-OG1 3.31Å; T26-T29 PolarHBondContact OG1-OG1 3.02Å; N27-T29 VanDerWaalsContact C-N 3.29Å; N27-T29 PolarHBondContact O-N 3.25Å; T29-K32 PolarHBondContact O-N 3.07Å; T29-A33 PolarHBondContact O-N 3.05Å
30	M	45.6	Very low	47.6	Very low	131 Å²	131	115.6 Å²	115.6	65%	0.645	58%	0.575	S	S	*	*	H	α-helix	trans	-65.8	-39.7	175.8	-73.8	-173.2	114.1	0	0	112.7	N27 K32 A33 N34	N27-M30 PolarHBondContact O-N 2.9Å; M30-K32 PolarHBondContact O-N 3.45Å; M30-A33 PolarHBondContact O-N 3.39Å; M30-N34 WeakPolarHBondContact O-CB 3.2Å; M30-N34 PolarHBondContact O-N 3.49Å
31	M	52.3	Low	49.1	Very low	145 Å²	145	116 Å²	116	71%	0.714	57%	0.57	S	S	*	*	H	α-helix	trans	-64.3	-40.3	178.1	-71.4	-172.7	84.2	0	0	112.5	N27 K28 N34 K35	N27-M31 PolarHBondContact O-N 2.8Å; K28-M31 PolarHBondContact O-N 3.39Å; M31-N34 PolarHBondContact O-N 3.01Å; M31-K35 PolarHBondContact O-N 3.16Å
32	K	49.3	Very low	50.8	Low	148 Å²	148	115.6 Å²	115.6	64%	0.643	57%	0.571	S	S	*	*	H	α-helix	trans	-66	-43.1	176.9	-75.1	-175.6	177.3	-176.8	0	111.9	K28 T29 M30 N34 K35 Q36	K28-K32 PolarHBondContact O-N 3.39Å; T29-K32 PolarHBondContact O-N 3.07Å; M30-K32 PolarHBondContact O-N 3.45Å; K32-N34 VanDerWaalsContact C-N 3.34Å; K32-N34 PolarHBondContact O-N 3.04Å; K32-K35 PolarHBondContact O-N 2.87Å; K32-Q36 PolarHBondContact O-N 3.08Å
33	A	49.8	Very low	52.2	Low	64 Å²	64	110.5 Å²	110.5	53%	0.529	55%	0.545	S	S	.	.	H	α-helix	trans	-62.4	-39.6	174.9	0	0	0	0	0	112.3	T29 M30 Q36 G37	T29-A33 PolarHBondContact O-N 3.05Å; M30-A33 PolarHBondContact O-N 3.39Å; A33-Q36 PolarHBondContact O-N 3.28Å; A33-G37 PolarHBondContact O-N 2.93Å
34	N	55.9	Low	53.6	Low	112 Å²	112	101.5 Å²	101.5	60%	0.599	51%	0.514	S	S	*	.	H	α-helix	trans	-66.3	-38.9	176.2	-81.2	-18.9	0	0	0	112.9	M30 M31 K32 G37 K38	M30-N34 WeakPolarHBondContact O-CB 3.2Å; M30-N34 PolarHBondContact O-N 3.49Å; M31-N34 PolarHBondContact O-N 3.01Å; K32-N34 VanDerWaalsContact C-N 3.34Å; K32-N34 PolarHBondContact O-N 3.04Å; N34-G37 PolarHBondContact O-N 2.58Å; N34-K38 WeakPolarHBondContact O-CB 3.45Å; N34-K38 PolarHBondContact O-N 2.93Å
35	K	63.4	Low	55.4	Low	141 Å²	141	107 Å²	107	61%	0.613	52%	0.517	S	S	*	.	H	α-helix	trans	-62.6	-47.7	174.7	-172	176.7	178.3	-175.9	0	110.9	M31 K32 G37 K38 E39	M31-K35 PolarHBondContact O-N 3.16Å; K32-K35 PolarHBondContact O-N 2.87Å; K35-G37 VanDerWaalsContact C-N 3.34Å; K35-G37 PolarHBondContact O-N 3.25Å; K35-K38 PolarHBondContact O-N 3.38Å; K35-K38 VanDerWaalsContact O-N 3.16Å; K35-E39 VanDerWaalsContact CE-OE1 3.3Å; K35-E39 WeakPolarHBondContact CE-OE1 3.38Å; K35-E39 PolarHBondContact O-N 2.92Å
36	Q	54.3	Low	56.9	Low	60 Å²	60	102.7 Å²	102.7	28%	0.28	50%	0.5	S	S	.	.	H	α-helix	trans	-60.6	-42.5	176.5	-163.6	71.7	37.8	0	0	112	K32 A33 K38 E39 N40	K32-Q36 PolarHBondContact O-N 3.08Å; A33-Q36 PolarHBondContact O-N 3.28Å; Q36-K38 VanDerWaalsContact C-N 3.31Å; Q36-K38 PolarHBondContact O-N 3.45Å; Q36-E39 PolarHBondContact O-N 3.05Å; Q36-N40 WeakPolarHBondContact O-CB 3.38Å; Q36-N40 PolarHBondContact O-N 2.84Å
37	G	61.7	Low	57.8	Low	26 Å²	26	100 Å²	100	27%	0.268	48%	0.478	S	S	.	.	H	α-helix	trans	-66.4	-31.1	177.3	0	0	0	0	0	113.3	A33 N34 K35 R41	A33-G37 PolarHBondContact O-N 2.93Å; N34-G37 PolarHBondContact O-N 2.58Å; K35-G37 VanDerWaalsContact C-N 3.34Å; K35-G37 PolarHBondContact O-N 3.25Å; G37-R41 WeakPolarHBondContact O-CB 3.5Å; G37-R41 WeakPolarHBondContact O-CG 3.43Å; G37-R41 PolarHBondContact O-N 3.05Å; G37-R41 PolarHBondContact O-NE 3.1Å; G37-R41 VanDerWaalsContact O-NE 3.14Å
38	K	71.5	Confident	58.2	Low	133 Å²	133	97.2 Å²	97.2	58%	0.578	46%	0.461	S	S	*	.	H	α-helix	trans	-72.3	-44.5	173	-170.4	176.7	-179.7	179.9	0	111.2	N34 K35 Q36 R41 N42	N34-K38 WeakPolarHBondContact O-CB 3.45Å; N34-K38 PolarHBondContact O-N 2.93Å; K35-K38 PolarHBondContact O-N 3.38Å; K35-K38 VanDerWaalsContact O-N 3.16Å; Q36-K38 VanDerWaalsContact C-N 3.31Å; Q36-K38 PolarHBondContact O-N 3.45Å; K38-R41 PolarHBondContact O-N 3.01Å; K38-N42 PolarHBondContact O-N 2.96Å
39	E	63.4	Low	59	Low	80 Å²	80	94.5 Å²	94.5	37%	0.374	45%	0.451	S	S	.	.	H	α-helix	trans	-61.2	-45.4	176.6	-74.4	174.8	-170.8	0	0	111.6	K35 Q36 R41 N42 L43	K35-E39 VanDerWaalsContact CE-OE1 3.3Å; K35-E39 WeakPolarHBondContact CE-OE1 3.38Å; K35-E39 PolarHBondContact O-N 2.92Å; Q36-E39 PolarHBondContact O-N 3.05Å; E39-R41 VanDerWaalsContact C-N 3.32Å; E39-R41 PolarHBondContact O-N 3.46Å; E39-N42 PolarHBondContact O-N 3.25Å; E39-L43 WeakPolarHBondContact O-CB 3.42Å; E39-L43 PolarHBondContact O-N 2.94Å
40	N	62.1	Low	59.8	Low	33 Å²	33	99 Å²	99	18%	0.176	47%	0.473	C	S	.	.	H	α-helix	trans	-60.2	-41.1	175.9	-73.8	-15.3	0	0	0	112.3	Q36 Q44 I63	Q36-N40 WeakPolarHBondContact O-CB 3.38Å; Q36-N40 PolarHBondContact O-N 2.84Å; N40-Q44 WeakPolarHBondContact O-CB 3.45Å; N40-Q44 PolarHBondContact O-N 2.82Å; N40-I63 WeakPolarHBondContact OD1-CD1 3.18Å; N40-I63 WeakPolarHBondContact OD1-CG1 3.41Å
41	R	63.7	Low	60.1	Low	162 Å²	162	94.2 Å²	94.2	61%	0.611	45%	0.45	S	S	*	.	H	α-helix	trans	-68.6	-39.8	177.6	-78.8	-176.2	-73.6	-175.4	-1.9	112.5	G37 K38 E39 Q44 R45	G37-R41 WeakPolarHBondContact O-CB 3.5Å; G37-R41 WeakPolarHBondContact O-CG 3.43Å; G37-R41 PolarHBondContact O-N 3.05Å; G37-R41 PolarHBondContact O-NE 3.1Å; G37-R41 VanDerWaalsContact O-NE 3.14Å; K38-R41 PolarHBondContact O-N 3.01Å; E39-R41 VanDerWaalsContact C-N 3.32Å; E39-R41 PolarHBondContact O-N 3.46Å; R41-Q44 PolarHBondContact O-N 3.26Å; R41-R45 WeakPolarHBondContact O-CB 3.25Å; R41-R45 PolarHBondContact O-N 3.17Å
42	N	68.2	Low	60	Low	84 Å²	84	95.8 Å²	95.8	45%	0.449	45%	0.453	S	S	.	.	H	α-helix	trans	-63.3	-46.4	175.1	-74.7	-2.5	0	0	0	110.8	K38 E39 Q44 R45 E46	K38-N42 PolarHBondContact O-N 2.96Å; E39-N42 PolarHBondContact O-N 3.25Å; N42-Q44 VanDerWaalsContact C-N 3.3Å; N42-Q44 PolarHBondContact O-N 3.06Å; N42-R45 PolarHBondContact O-N 2.96Å; N42-E46 WeakPolarHBondContact O-CB 3.2Å; N42-E46 PolarHBondContact O-N 3.02Å
43	L	63.5	Low	60.3	Low	51 Å²	51	92.5 Å²	92.5	27%	0.267	46%	0.461	S	S	.	.	H	α-helix	trans	-62.1	-39.3	177	-130.6	101.3	0	0	0	111.8	E39 R47 V61	E39-L43 WeakPolarHBondContact O-CB 3.42Å; E39-L43 PolarHBondContact O-N 2.94Å; L43-R47 WeakPolarHBondContact O-CB 3.33Å; L43-R47 VanDerWaalsContact O-CG 3.31Å; L43-R47 WeakPolarHBondContact O-CG 3.36Å; L43-R47 PolarHBondContact O-N 3.23Å; L43-R47 VanDerWaalsContact O-N 3.09Å; L43-V61 HydrophobicContact CD2-CG1 4.01Å
44	Q	59.6	Low	60.3	Low	50 Å²	50	92.1 Å²	92.1	23%	0.234	45%	0.45	C	S	.	.	H	α-helix	trans	-63.1	-45.9	175	-177	169.8	1	0	0	110.8	N40 R41 N42 R47 Q48 I58 N59 V61	N40-Q44 WeakPolarHBondContact O-CB 3.45Å; N40-Q44 PolarHBondContact O-N 2.82Å; R41-Q44 PolarHBondContact O-N 3.26Å; N42-Q44 VanDerWaalsContact C-N 3.3Å; N42-Q44 PolarHBondContact O-N 3.06Å; Q44-R47 PolarHBondContact O-N 3.1Å; Q44-Q48 WeakPolarHBondContact O-CB 3.46Å; Q44-Q48 PolarHBondContact O-N 3.18Å; Q44-I58 HydrophobicContact CG-CG2 4.13Å; Q44-I58 PolarHBondContact NE2-O 2.85Å; Q44-N59 PolarHBondContact NE2-O 3.39Å; Q44-V61 HydrophobicContact CB-CB 4.5Å; Q44-V61 HydrophobicContact CB-CG2 4.05Å; Q44-V61 HydrophobicContact CG-CG2 4.37Å
45	R	66.2	Low	59.8	Low	170 Å²	170	92.7 Å²	92.7	64%	0.642	45%	0.453	S	S	*	.	H	α-helix	trans	-62.8	-48.1	179.4	-169.6	-178.4	-74.4	167.8	-6.6	112	R41 N42 R47 Q48 E49	R41-R45 WeakPolarHBondContact O-CB 3.25Å; R41-R45 PolarHBondContact O-N 3.17Å; N42-R45 PolarHBondContact O-N 2.96Å; R45-R47 VanDerWaalsContact C-N 3.29Å; R45-R47 PolarHBondContact O-N 2.79Å; R45-Q48 WeakPolarHBondContact O-CB 3.43Å; R45-Q48 PolarHBondContact O-N 3.16Å; R45-Q48 VanDerWaalsContact O-N 3.09Å; R45-E49 PolarHBondContact O-N 3.37Å
46	E	64.9	Low	58.9	Low	124 Å²	124	87.8 Å²	87.8	58%	0.579	43%	0.434	S	S	*	.	H	α-helix	trans	-59.1	-41.3	178.5	-168	-178.5	-165.2	0	0	111.4	N42 E49 L50	N42-E46 WeakPolarHBondContact O-CB 3.2Å; N42-E46 PolarHBondContact O-N 3.02Å; E46-E49 PolarHBondContact O-N 2.92Å; E46-L50 PolarHBondContact O-N 3.41Å
47	R	60.6	Low	58.6	Low	42 Å²	42	87.1 Å²	87.1	16%	0.158	44%	0.436	C	S	.	.	H	α-helix	trans	-72.8	-31.6	175.4	-68.8	-171.6	172.5	-150.5	-9.4	113.5	Y8 L43 Q44 R45 E49 L50 L51 I58 T72	Y8-R47 VanDerWaalsContact CE1-NH1 3.33Å; Y8-R47 PolarHBondContact OH-NH1 3.34Å; Y8-R47 PolarHBondContact OH-NH2 2.88Å; L43-R47 WeakPolarHBondContact O-CB 3.33Å; L43-R47 VanDerWaalsContact O-CG 3.31Å; L43-R47 WeakPolarHBondContact O-CG 3.36Å; L43-R47 PolarHBondContact O-N 3.23Å; L43-R47 VanDerWaalsContact O-N 3.09Å; Q44-R47 PolarHBondContact O-N 3.1Å; R45-R47 VanDerWaalsContact C-N 3.29Å; R45-R47 PolarHBondContact O-N 2.79Å; R47-E49 VanDerWaalsContact C-N 3.29Å; R47-L50 PolarHBondContact O-N 3.36Å; R47-L51 WeakPolarHBondContact O-CG 3.39Å; R47-L51 PolarHBondContact O-N 3.37Å; R47-I58 HydrophobicContact CB-CD1 3.31Å; R47-I58 HydrophobicContact CG-CD1 4.46Å; R47-T72 PolarHBondContact NH1-OG1 2.79Å
48	Q	59.7	Low	58.1	Low	78 Å²	78	86 Å²	86	36%	0.364	43%	0.425	S	S	.	.	H	α-helix	trans	-67.6	-34.5	175	-155.4	113.6	7.3	0	0	111.1	Q44 R45 L51 K52 I58	Q44-Q48 WeakPolarHBondContact O-CB 3.46Å; Q44-Q48 PolarHBondContact O-N 3.18Å; R45-Q48 WeakPolarHBondContact O-CB 3.43Å; R45-Q48 PolarHBondContact O-N 3.16Å; R45-Q48 VanDerWaalsContact O-N 3.09Å; Q48-L51 CarbonylContact O-C 3.52Å; Q48-L51 PolarHBondContact O-N 3.04Å; Q48-K52 PolarHBondContact O-N 2.98Å; Q48-K52 VanDerWaalsContact O-N 3.1Å; Q48-I58 PolarHBondContact OE1-O 3.09Å
49	E	62.3	Low	57	Low	118 Å²	118	83.4 Å²	83.4	55%	0.551	42%	0.417	S	S	*	.	H	α-helix	trans	-65.3	-39.8	173.9	-75.9	176.2	-179.8	0	0	112.1	R45 E46 R47 L51 K52	R45-E49 PolarHBondContact O-N 3.37Å; E46-E49 PolarHBondContact O-N 2.92Å; R47-E49 VanDerWaalsContact C-N 3.29Å; E49-L51 PolarHBondContact O-N 2.87Å; E49-K52 VanDerWaalsContact O-CB 3.27Å; E49-K52 WeakPolarHBondContact O-CB 3.43Å; E49-K52 PolarHBondContact O-N 3.04Å; E49-K52 VanDerWaalsContact O-N 3.17Å
50	L	57.1	Low	56.1	Low	127 Å²	127	84.6 Å²	84.6	67%	0.665	42%	0.421	S	S	*	.	H	α-helix	trans	-64.5	-19.8	173.7	-70.3	169.9	0	0	0	113.8	E46 R47	E46-L50 PolarHBondContact O-N 3.41Å; R47-L50 PolarHBondContact O-N 3.36Å
51	L	52.9	Low	55.5	Low	30 Å²	30	83.2 Å²	83.2	16%	0.157	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	5.5	178.6	-64.9	171.7	0	0	0	112.7	R47 Q48 E49 G53 D54 I58 F74	R47-L51 WeakPolarHBondContact O-CG 3.39Å; R47-L51 PolarHBondContact O-N 3.37Å; Q48-L51 CarbonylContact O-C 3.52Å; Q48-L51 PolarHBondContact O-N 3.04Å; E49-L51 PolarHBondContact O-N 2.87Å; L51-G53 PolarHBondContact O-N 3.35Å; L51-D54 PolarHBondContact O-N 3.12Å; L51-I58 HydrophobicContact CD1-CD1 3.44Å; L51-I58 VanDerWaalsContact CD1-CD1 3.44Å; L51-I58 HydrophobicContact CD1-CG1 3.54Å; L51-F74 HydrophobicContact CD1-CD1 4.49Å; L51-F74 HydrophobicContact CD1-CE1 4.03Å
52	K	51	Low	54.6	Low	178 Å²	178	78.6 Å²	78.6	77%	0.774	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	99.5	-175.6	-149.1	179.4	-172.7	-176	0	108.9	Q48 E49	Q48-K52 PolarHBondContact O-N 2.98Å; Q48-K52 VanDerWaalsContact O-N 3.1Å; E49-K52 VanDerWaalsContact O-CB 3.27Å; E49-K52 WeakPolarHBondContact O-CB 3.43Å; E49-K52 PolarHBondContact O-N 3.04Å; E49-K52 VanDerWaalsContact O-N 3.17Å
53	G	54.6	Low	53.5	Low	79 Å²	79	77 Å²	77	81%	0.814	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	133.6	-12.9	-173	0	0	0	0	0	113.8	L51	L51-G53 PolarHBondContact O-N 3.35Å
54	D	49.4	Very low	52.6	Low	56 Å²	56	78 Å²	78	30%	0.299	40%	0.396	S	S	.	.	S	Bend	trans	-105.9	157.1	179.4	-79.6	-43.6	0	0	0	113.2	L51 V56 Y91	L51-D54 PolarHBondContact O-N 3.12Å; D54-V56 PolarHBondContact O-N 3.04Å; D54-Y91 VanDerWaalsContact OD2-CE2 3.25Å; D54-Y91 WeakPolarHBondContact OD2-CE2 3.39Å; D54-Y91 PolarHBondContact OD2-OH 3.04Å
55	L	46.9	Very low	51.7	Low	125 Å²	125	78.2 Å²	78.2	65%	0.654	40%	0.401	S	S	*	.	S	Bend	trans	-70.2	11.4	177.1	-76.4	163.7	0	0	0	114.4
56	V	44.1	Very low	50.3	Low	37 Å²	37	78.4 Å²	78.4	22%	0.224	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.9	-172.1	-175.4	0	0	0	0	110	D54 F74	D54-V56 PolarHBondContact O-N 3.04Å; V56-F74 HydrophobicContact CG1-CB 3.97Å; V56-F74 HydrophobicContact CG1-CD1 3.68Å; V56-F74 HydrophobicContact CG1-CG 4.17Å
57	S	47.5	Very low	49	Very low	46 Å²	46	78.1 Å²	78.1	32%	0.322	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.7	176	64.7	0	0	0	0	111.1	F74 W75	S57-F74 WeakPolarHBondContact O-CA 3.42Å; S57-W75 PolarHBondContact N-O 2.79Å; S57-W75 PolarHBondContact O-N 3.27Å
58	I	50.7	Low	48.3	Very low	4 Å²	4	76.6 Å²	76.6	2%	0.021	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	113.1	170	-66	169.5	0	0	0	107.8	Q44 R47 Q48 L51 V61 T72 F74	Q44-I58 HydrophobicContact CG-CG2 4.13Å; Q44-I58 PolarHBondContact NE2-O 2.85Å; R47-I58 HydrophobicContact CB-CD1 3.31Å; R47-I58 HydrophobicContact CG-CD1 4.46Å; Q48-I58 PolarHBondContact OE1-O 3.09Å; L51-I58 HydrophobicContact CD1-CD1 3.44Å; L51-I58 VanDerWaalsContact CD1-CD1 3.44Å; L51-I58 HydrophobicContact CD1-CG1 3.54Å; I58-V61 HydrophobicContact CG2-CG2 3.72Å; I58-T72 HydrophobicContact CD1-CG2 4.22Å; I58-T72 HydrophobicContact CG1-CG2 4.12Å; I58-T72 HydrophobicContact CG2-CG2 3.78Å; I58-F74 HydrophobicContact CD1-CE1 4.02Å; I58-F74 HydrophobicContact CG1-CD1 3.68Å; I58-F74 HydrophobicContact CG1-CE1 3.48Å; I58-F74 VanDerWaalsContact CG1-CE1 3.48Å
59	N	48.7	Very low	47.3	Very low	78 Å²	78	74.9 Å²	74.9	42%	0.417	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-33.4	179.1	-104	-5	0	0	0	112.9	Q44 M73 W75	Q44-N59 PolarHBondContact NE2-O 3.39Å; N59-M73 PolarHBondContact N-O 3.36Å; N59-W75 HydrophobicContact CB-CG 3.97Å; N59-W75 PolarHBondContact ND2-NE1 2.83Å
60	K	44.6	Very low	46.6	Very low	104 Å²	104	69.9 Å²	69.9	45%	0.452	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	130.7	-178.3	-154.4	172.8	-177.4	-179.7	0	112.3	M62 T72 M73	K60-M62 HydrophobicContact CD-CG 4.14Å; K60-M62 HydrophobicContact CD-SD 4.08Å; K60-M62 VanDerWaalsContact CE-SD 3.55Å; K60-M62 HydrophobicContact CG-CG 4.06Å; K60-T72 WeakPolarHBondContact O-CA 3.47Å; K60-M73 HydrophobicContact CB-CB 4.28Å; K60-M73 HydrophobicContact CB-CE 3.52Å; K60-M73 HydrophobicContact CD-CE 3.47Å; K60-M73 VanDerWaalsContact CD-CE 3.47Å; K60-M73 HydrophobicContact CG-CE 3.98Å; K60-M73 PolarHBondContact O-N 2.94Å
61	V	48.6	Very low	46.1	Very low	5 Å²	5	64.3 Å²	64.3	3%	0.03	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.3	165.7	-175.1	0	0	0	0	107.8	L43 Q44 I58 V70 T71 T72	L43-V61 HydrophobicContact CD2-CG1 4.01Å; Q44-V61 HydrophobicContact CB-CB 4.5Å; Q44-V61 HydrophobicContact CB-CG2 4.05Å; Q44-V61 HydrophobicContact CG-CG2 4.37Å; I58-V61 HydrophobicContact CG2-CG2 3.72Å; V61-V70 HydrophobicContact CG1-CG1 3.72Å; V61-T71 CarbonylContact C-O 3.41Å; V61-T71 VanDerWaalsContact CA-O 3.29Å; V61-T71 WeakPolarHBondContact CA-O 3.15Å; V61-T72 HydrophobicContact CG2-CG2 4.07Å
62	M	45.4	Very low	45.9	Very low	65 Å²	65	62.9 Å²	62.9	32%	0.32	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	120.9	175.3	-70	-169.9	-51.2	0	0	110.2	K60 V70 T71 M73	K60-M62 HydrophobicContact CD-CG 4.14Å; K60-M62 HydrophobicContact CD-SD 4.08Å; K60-M62 VanDerWaalsContact CE-SD 3.55Å; K60-M62 HydrophobicContact CG-CG 4.06Å; M62-V70 CarbonylContact O-C 3.5Å; M62-V70 WeakPolarHBondContact O-CA 3.46Å; M62-T71 PolarHBondContact N-O 2.67Å; M62-T71 PolarHBondContact O-N 3.01Å; M62-M73 HydrophobicContact CE-CE 4.49Å
63	I	46.3	Very low	45.7	Very low	49 Å²	49	56 Å²	56	25%	0.251	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	114.9	166.9	-58.8	173.8	0	0	0	107.2	N40 P65 V70	N40-I63 WeakPolarHBondContact OD1-CD1 3.18Å; N40-I63 WeakPolarHBondContact OD1-CG1 3.41Å; I63-P65 WeakPolarHBondContact O-CD 3.3Å; I63-V70 HydrophobicContact CB-CG2 4.35Å; I63-V70 HydrophobicContact CG1-CB 4.35Å; I63-V70 HydrophobicContact CG1-CG1 3.76Å; I63-V70 HydrophobicContact CG1-CG2 3.85Å; I63-V70 HydrophobicContact CG2-CG2 4.24Å
64	L	43.8	Very low	45.4	Very low	73 Å²	73	53.2 Å²	53.2	38%	0.382	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	111.8	174	-74	162.3	0	0	0	109	R66 L69	L64-R66 PolarHBondContact O-N 3.22Å; L64-L69 WeakPolarHBondContact CA-O 2.92Å; L64-L69 HydrophobicContact CB-CB 4.2Å; L64-L69 VanDerWaalsContact CB-O 3.3Å; L64-L69 WeakPolarHBondContact CB-O 3.5Å; L64-L69 HydrophobicContact CD1-CB 4.25Å; L64-L69 PolarHBondContact N-O 3.44Å; L64-L69 PolarHBondContact O-N 3.39Å
65	P	39.7	Very low	45.1	Very low	54 Å²	54	55.7 Å²	55.7	35%	0.351	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-24	-167.5	22.4	-31.3	0	0	0	115.3	L17 I63 H67	L17-P65 HydrophobicContact CB-CB 4.2Å; L17-P65 HydrophobicContact CD1-CB 3.04Å; L17-P65 HydrophobicContact CD1-CG 3.59Å; L17-P65 HydrophobicContact CG-CB 4.19Å; I63-P65 WeakPolarHBondContact O-CD 3.3Å; P65-H67 VanDerWaalsContact C-N 3.34Å; P65-H67 PolarHBondContact O-N 2.71Å
66	R	38.2	Very low	45.3	Very low	175 Å²	175	51.1 Å²	51.1	66%	0.66	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-12.2	-177	-86.9	-174.6	169.7	172.4	-4.1	115.2	S19 L64	S19-R66 PolarHBondContact OG-NH2 2.98Å; L64-R66 PolarHBondContact O-N 3.22Å
67	H	37.1	Very low	45.4	Very low	117 Å²	117	55.3 Å²	55.3	54%	0.542	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.8	10.5	-172.1	-66.6	-59.7	0	0	0	114.5	P65 L69	P65-H67 VanDerWaalsContact C-N 3.34Å; P65-H67 PolarHBondContact O-N 2.71Å; H67-L69 HydrophobicContact CB-CB 4.16Å; H67-L69 HydrophobicContact CB-CD1 3.43Å; H67-L69 VanDerWaalsContact CB-CD1 3.43Å; H67-L69 HydrophobicContact CB-CG 3.52Å; H67-L69 PolarHBondContact O-N 3.27Å
68	S	46.5	Very low	45.2	Very low	11 Å²	11	55.7 Å²	55.7	8%	0.077	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	24.3	-164.2	-69.8	0	0	0	0	112.4	K9 G10 R11 N12 I13	K9-S68 CarbonylContact C-O 3.41Å; G10-S68 WeakPolarHBondContact CA-O 3.3Å; G10-S68 PolarHBondContact N-O 2.83Å; G10-S68 WeakPolarHBondContact O-CB 3.45Å; R11-S68 WeakPolarHBondContact O-CB 3.38Å; R11-S68 PolarHBondContact O-OG 2.75Å; N12-S68 VanDerWaalsContact CA-OG 3.25Å; N12-S68 WeakPolarHBondContact CA-OG 3.49Å; I13-S68 PolarHBondContact N-OG 3.09Å
69	L	38.5	Very low	45.1	Very low	42 Å²	42	60.7 Å²	60.7	22%	0.22	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.2	-175.7	-71.9	168.5	0	0	0	107.9	I7 Y8 K9 L64 H67	I7-L69 HydrophobicContact CG2-CB 3.82Å; I7-L69 HydrophobicContact CG2-CD1 4.16Å; I7-L69 HydrophobicContact CG2-CD2 3.8Å; I7-L69 HydrophobicContact CG2-CG 4.12Å; Y8-L69 CarbonylContact O-C 3.59Å; Y8-L69 WeakPolarHBondContact O-CA 3.26Å; K9-L69 HydrophobicContact CB-CD2 3.72Å; K9-L69 HydrophobicContact CG-CD2 4Å; L64-L69 WeakPolarHBondContact CA-O 2.92Å; L64-L69 HydrophobicContact CB-CB 4.2Å; L64-L69 VanDerWaalsContact CB-O 3.3Å; L64-L69 WeakPolarHBondContact CB-O 3.5Å; L64-L69 HydrophobicContact CD1-CB 4.25Å; L64-L69 PolarHBondContact N-O 3.44Å; L64-L69 PolarHBondContact O-N 3.39Å; H67-L69 HydrophobicContact CB-CB 4.16Å; H67-L69 HydrophobicContact CB-CD1 3.43Å; H67-L69 VanDerWaalsContact CB-CD1 3.43Å; H67-L69 HydrophobicContact CB-CG 3.52Å; H67-L69 PolarHBondContact O-N 3.27Å
70	V	46.3	Very low	45	Very low	13 Å²	13	62.6 Å²	62.6	8%	0.079	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.6	170.7	-172	0	0	0	0	108.1	I7 Y8 V61 M62 I63	I7-V70 WeakPolarHBondContact CA-O 3.29Å; Y8-V70 HydrophobicContact CD1-CB 4.17Å; Y8-V70 WeakPolarHBondContact CD1-O 3.34Å; Y8-V70 HydrophobicContact CD2-CB 3.77Å; Y8-V70 HydrophobicContact CD2-CG2 4.06Å; Y8-V70 HydrophobicContact CE1-CB 3.64Å; Y8-V70 HydrophobicContact CE1-CG1 3.81Å; Y8-V70 WeakPolarHBondContact CE1-O 3.35Å; Y8-V70 HydrophobicContact CE2-CB 3.25Å; Y8-V70 HydrophobicContact CE2-CG1 3.88Å; Y8-V70 HydrophobicContact CE2-CG2 3.53Å; Y8-V70 HydrophobicContact CG-CB 4.23Å; Y8-V70 PolarHBondContact N-O 3.4Å; Y8-V70 PolarHBondContact O-N 3.44Å; Y8-V70 WeakPolarHBondContact OH-CB 3.32Å; Y8-V70 WeakPolarHBondContact OH-CG1 3.44Å; V61-V70 HydrophobicContact CG1-CG1 3.72Å; M62-V70 CarbonylContact O-C 3.5Å; M62-V70 WeakPolarHBondContact O-CA 3.46Å; I63-V70 HydrophobicContact CB-CG2 4.35Å; I63-V70 HydrophobicContact CG1-CB 4.35Å; I63-V70 HydrophobicContact CG1-CG1 3.76Å; I63-V70 HydrophobicContact CG1-CG2 3.85Å; I63-V70 HydrophobicContact CG2-CG2 4.24Å
71	T	47.3	Very low	45.3	Very low	9 Å²	9	63 Å²	63	6%	0.055	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.8	-174.8	-56.1	0	0	0	0	108.7	V5 M6 I7 V61 M62	V5-T71 HydrophobicContact CG1-CG2 3.77Å; V5-T71 HydrophobicContact CG2-CG2 4.2Å; M6-T71 CarbonylContact O-C 3.55Å; M6-T71 WeakPolarHBondContact O-CA 3.27Å; I7-T71 HydrophobicContact CG1-CG2 4Å; V61-T71 CarbonylContact C-O 3.41Å; V61-T71 VanDerWaalsContact CA-O 3.29Å; V61-T71 WeakPolarHBondContact CA-O 3.15Å; M62-T71 PolarHBondContact N-O 2.67Å; M62-T71 PolarHBondContact O-N 3.01Å
72	T	48	Very low	45.1	Very low	0 Å²	0	73.1 Å²	73.1	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.1	174.2	-56	0	0	0	0	109.1	M6 R47 I58 K60 V61 F74	M6-T72 PolarHBondContact N-O 2.78Å; M6-T72 PolarHBondContact O-N 3.33Å; R47-T72 PolarHBondContact NH1-OG1 2.79Å; I58-T72 HydrophobicContact CD1-CG2 4.22Å; I58-T72 HydrophobicContact CG1-CG2 4.12Å; I58-T72 HydrophobicContact CG2-CG2 3.78Å; K60-T72 WeakPolarHBondContact O-CA 3.47Å; V61-T72 HydrophobicContact CG2-CG2 4.07Å; T72-F74 HydrophobicContact CG2-CD2 4.48Å; T72-F74 HydrophobicContact CG2-CE1 3.89Å; T72-F74 HydrophobicContact CG2-CE2 3.84Å; T72-F74 HydrophobicContact CG2-CZ 3.51Å
73	M	47	Very low	45.4	Very low	35 Å²	35	76.7 Å²	76.7	17%	0.172	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	123.1	179.3	-65.6	-158.4	-82.8	0	0	110.5	L3 Y4 V5 N59 K60 M62	L3-M73 HydrophobicContact CD2-SD 4.31Å; Y4-M73 WeakPolarHBondContact O-CA 3.3Å; V5-M73 HydrophobicContact CG2-CB 4.47Å; V5-M73 HydrophobicContact CG2-CG 3.45Å; V5-M73 VanDerWaalsContact CG2-CG 3.45Å; V5-M73 HydrophobicContact CG2-SD 3.82Å; N59-M73 PolarHBondContact N-O 3.36Å; K60-M73 HydrophobicContact CB-CB 4.28Å; K60-M73 HydrophobicContact CB-CE 3.52Å; K60-M73 HydrophobicContact CD-CE 3.47Å; K60-M73 VanDerWaalsContact CD-CE 3.47Å; K60-M73 HydrophobicContact CG-CE 3.98Å; K60-M73 PolarHBondContact O-N 2.94Å; M62-M73 HydrophobicContact CE-CE 4.49Å
74	F	49.4	Very low	45.5	Very low	20 Å²	20	76.4 Å²	76.4	9%	0.088	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	139	177	-55	-86.1	0	0	0	110.4	Y4 M6 L51 V56 S57 I58 T72	Y4-F74 PolarHBondContact N-O 3.31Å; Y4-F74 PolarHBondContact O-N 2.94Å; M6-F74 HydrophobicContact CB-CE2 4.15Å; M6-F74 HydrophobicContact CG-CE2 4.45Å; M6-F74 HydrophobicContact SD-CE2 4.05Å; M6-F74 HydrophobicContact SD-CZ 4.44Å; L51-F74 HydrophobicContact CD1-CD1 4.49Å; L51-F74 HydrophobicContact CD1-CE1 4.03Å; V56-F74 HydrophobicContact CG1-CB 3.97Å; V56-F74 HydrophobicContact CG1-CD1 3.68Å; V56-F74 HydrophobicContact CG1-CG 4.17Å; S57-F74 WeakPolarHBondContact O-CA 3.42Å; I58-F74 HydrophobicContact CD1-CE1 4.02Å; I58-F74 HydrophobicContact CG1-CD1 3.68Å; I58-F74 HydrophobicContact CG1-CE1 3.48Å; I58-F74 VanDerWaalsContact CG1-CE1 3.48Å; T72-F74 HydrophobicContact CG2-CD2 4.48Å; T72-F74 HydrophobicContact CG2-CE1 3.89Å; T72-F74 HydrophobicContact CG2-CE2 3.84Å; T72-F74 HydrophobicContact CG2-CZ 3.51Å
75	W	43.6	Very low	45.8	Very low	107 Å²	107	76.8 Å²	76.8	41%	0.405	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.6	175.3	-71.1	53.4	0	0	0	109.9	L3 S57 N59	L3-W75 VanDerWaalsContact CD1-CD1 3.42Å; L3-W75 HydrophobicContact CD1-CD2 4.15Å; L3-W75 HydrophobicContact CD1-CG 4.11Å; L3-W75 HydrophobicContact CD1-CZ2 4.21Å; S57-W75 PolarHBondContact N-O 2.79Å; S57-W75 PolarHBondContact O-N 3.27Å; N59-W75 HydrophobicContact CB-CG 3.97Å; N59-W75 PolarHBondContact ND2-NE1 2.83Å
76	R	49.6	Very low	46.3	Very low	30 Å²	30	79.4 Å²	79.4	11%	0.113	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.8	-167.7	-171.5	-175.5	-167.5	-144.9	-9.9	111.7	P2 G78 S79 E80 E84	P2-R76 HydrophobicContact CG-CB 4.43Å; R76-G78 PolarHBondContact NE-O 2.91Å; R76-G78 VanDerWaalsContact NE-O 3.16Å; R76-G78 PolarHBondContact NH1-O 2.91Å; R76-G78 VanDerWaalsContact NH1-O 3.16Å; R76-G78 PolarHBondContact NH2-O 3.4Å; R76-S79 PolarHBondContact NH1-O 3.39Å; R76-S79 PolarHBondContact NH2-O 2.9Å; R76-E80 PolarHBondContact NH2-O 3.22Å; R76-E84 IonicContact CZ-OE2 2.78Å; R76-E84 VanDerWaalsContact CZ-OE2 3.23Å; R76-E84 IonicContact NE-OE2 2.77Å; R76-E84 PolarHBondContact NE-OE2 2.67Å; R76-E84 IonicContact NH2-OE2 3.23Å; R76-E84 PolarHBondContact NH2-OE2 3.09Å
77	N	46	Very low	47.1	Very low	124 Å²	124	77.2 Å²	77.2	66%	0.663	38%	0.379	S	S	*	.			trans	-111	107.2	158.9	-83.8	-9.4	0	0	0	108.9
78	G	43.2	Very low	47.9	Very low	54 Å²	54	73.9 Å²	73.9	56%	0.557	37%	0.365	S	S	*	.	S	Bend	trans	132.5	168.2	174.2	0	0	0	0	0	116.1	R76	R76-G78 PolarHBondContact NE-O 2.91Å; R76-G78 VanDerWaalsContact NE-O 3.16Å; R76-G78 PolarHBondContact NH1-O 2.91Å; R76-G78 VanDerWaalsContact NH1-O 3.16Å; R76-G78 PolarHBondContact NH2-O 3.4Å
79	S	48.6	Very low	48.3	Very low	110 Å²	110	81.9 Å²	81.9	77%	0.769	39%	0.393	S	S	*	.	S	Bend	trans	-105.9	-18.9	-165.8	58.8	0	0	0	0	117.3	R76 K81	R76-S79 PolarHBondContact NH1-O 3.39Å; R76-S79 PolarHBondContact NH2-O 2.9Å; S79-K81 PolarHBondContact O-N 3.27Å
80	E	47.9	Very low	49.1	Very low	117 Å²	117	85.5 Å²	85.5	55%	0.547	41%	0.409	S	S	.	.			trans	-78.4	87.8	-175.8	-74.6	-149.9	142.3	0	0	116.5	R76 R82 K83	R76-E80 PolarHBondContact NH2-O 3.22Å; E80-R82 PolarHBondContact O-N 3.38Å; E80-K83 IonicContact OE2-NZ 3.98Å
81	K	50.4	Low	49.3	Very low	112 Å²	112	89.1 Å²	89.1	49%	0.487	42%	0.422	S	S	.	.	H	α-helix	trans	-60.5	-36.7	-172.5	-90.3	-174.4	167.1	-169	0	116.1	S79 I85 D112	S79-K81 PolarHBondContact O-N 3.27Å; K81-I85 WeakPolarHBondContact O-CD1 3.37Å; K81-I85 VanDerWaalsContact O-CG1 3.28Å; K81-I85 WeakPolarHBondContact O-CG1 2.92Å; K81-I85 PolarHBondContact O-N 3.27Å; K81-D112 VanDerWaalsContact CE-OD2 3.3Å; K81-D112 WeakPolarHBondContact CE-OD2 3.41Å; K81-D112 IonicContact NZ-OD2 2.81Å; K81-D112 PolarHBondContact NZ-OD2 2.99Å
82	R	44.6	Very low	49.6	Very low	218 Å²	218	90.7 Å²	90.7	82%	0.823	43%	0.428	S	S	*	.	H	α-helix	trans	-86.9	-42.3	-162.3	-157.4	175.4	-172.5	177.4	2.1	114.6	E80 E84 L86	E80-R82 PolarHBondContact O-N 3.38Å; R82-E84 VanDerWaalsContact C-N 3.3Å; R82-L86 PolarHBondContact O-N 3.24Å
83	K	52.1	Low	49.9	Very low	140 Å²	140	99.2 Å²	99.2	61%	0.609	46%	0.46	S	S	*	.	H	α-helix	trans	-67.1	-34	176.6	-76.1	178.3	-176.3	162.7	0	111.7	E80 L86 K87	E80-K83 IonicContact OE2-NZ 3.98Å; K83-L86 WeakPolarHBondContact O-CB 3.44Å; K83-L86 PolarHBondContact O-N 2.92Å; K83-K87 PolarHBondContact O-N 3.17Å
84	E	47.2	Very low	50.1	Low	44 Å²	44	101.7 Å²	101.7	21%	0.206	47%	0.474	C	S	.	.	H	α-helix	trans	-74	-37.4	-179.1	-71.2	-170.2	150.5	0	0	113.1	R76 R82 L86 K87 L88	R76-E84 IonicContact CZ-OE2 2.78Å; R76-E84 VanDerWaalsContact CZ-OE2 3.23Å; R76-E84 IonicContact NE-OE2 2.77Å; R76-E84 PolarHBondContact NE-OE2 2.67Å; R76-E84 IonicContact NH2-OE2 3.23Å; R76-E84 PolarHBondContact NH2-OE2 3.09Å; R82-E84 VanDerWaalsContact C-N 3.3Å; E84-L86 VanDerWaalsContact C-N 3.25Å; E84-L86 PolarHBondContact O-N 2.87Å; E84-K87 PolarHBondContact O-N 3.36Å; E84-K87 VanDerWaalsContact O-N 3.16Å; E84-L88 WeakPolarHBondContact O-CB 3.46Å; E84-L88 PolarHBondContact O-N 3.04Å
85	I	50.3	Low	50.2	Low	80 Å²	80	104 Å²	104	41%	0.41	49%	0.486	S	S	.	.	H	α-helix	trans	-60.5	-39.4	171.6	-71.3	168	0	0	0	110.5	K81 R89	K81-I85 WeakPolarHBondContact O-CD1 3.37Å; K81-I85 VanDerWaalsContact O-CG1 3.28Å; K81-I85 WeakPolarHBondContact O-CG1 2.92Å; K81-I85 PolarHBondContact O-N 3.27Å; I85-R89 WeakPolarHBondContact O-CB 3.31Å; I85-R89 PolarHBondContact O-N 2.76Å
86	L	51.4	Low	50.4	Low	110 Å²	110	101.5 Å²	101.5	58%	0.576	48%	0.484	S	S	*	.	H	α-helix	trans	-65.5	-41	174.6	-77	164.9	0	0	0	112	R82 K83 E84 R89 H90	R82-L86 PolarHBondContact O-N 3.24Å; K83-L86 WeakPolarHBondContact O-CB 3.44Å; K83-L86 PolarHBondContact O-N 2.92Å; E84-L86 VanDerWaalsContact C-N 3.25Å; E84-L86 PolarHBondContact O-N 2.87Å; L86-R89 WeakPolarHBondContact O-CB 3.16Å; L86-R89 PolarHBondContact O-N 3.45Å; L86-H90 WeakPolarHBondContact O-CB 3.37Å; L86-H90 PolarHBondContact O-N 2.9Å
87	K	54.6	Low	50.4	Low	129 Å²	129	109.6 Å²	109.6	56%	0.561	52%	0.515	S	S	*	.	H	α-helix	trans	-64.3	-44.9	173.9	-79.3	-173.1	174	-173.1	0	112.4	K83 E84 R89 H90 Y91	K83-K87 PolarHBondContact O-N 3.17Å; E84-K87 PolarHBondContact O-N 3.36Å; E84-K87 VanDerWaalsContact O-N 3.16Å; K87-R89 VanDerWaalsContact C-N 3.33Å; K87-R89 PolarHBondContact O-N 3.29Å; K87-H90 WeakPolarHBondContact O-CA 3.37Å; K87-H90 WeakPolarHBondContact O-CB 3.33Å; K87-H90 PolarHBondContact O-N 2.91Å; K87-Y91 WeakPolarHBondContact O-CD2 3.37Å; K87-Y91 PolarHBondContact O-N 2.96Å
88	L	53.6	Low	50.5	Low	47 Å²	47	107.8 Å²	107.8	25%	0.246	51%	0.508	C	S	.	.	H	α-helix	trans	-60.3	-42.3	174.4	-93.4	150	0	0	0	111.3	E84 H90 F92	E84-L88 WeakPolarHBondContact O-CB 3.46Å; E84-L88 PolarHBondContact O-N 3.04Å; L88-H90 VanDerWaalsContact C-N 3.3Å; L88-H90 PolarHBondContact O-N 2.71Å; L88-F92 WeakPolarHBondContact O-CB 3.47Å; L88-F92 PolarHBondContact O-N 3.39Å
89	R	54.1	Low	50.4	Low	179 Å²	179	115.5 Å²	115.5	68%	0.675	53%	0.526	S	S	*	.	H	α-helix	trans	-61.5	-37.8	171.5	-113.5	179.4	165.3	-179.9	-3.3	112.4	I85 L86 K87 R93	I85-R89 WeakPolarHBondContact O-CB 3.31Å; I85-R89 PolarHBondContact O-N 2.76Å; L86-R89 WeakPolarHBondContact O-CB 3.16Å; L86-R89 PolarHBondContact O-N 3.45Å; K87-R89 VanDerWaalsContact C-N 3.33Å; K87-R89 PolarHBondContact O-N 3.29Å; R89-R93 PolarHBondContact O-N 3.43Å
90	H	55.2	Low	50.1	Low	118 Å²	118	113.2 Å²	113.2	55%	0.546	51%	0.511	S	S	.	.	H	α-helix	trans	-68.4	-49.6	179	-174.7	80	0	0	0	111.6	L86 K87 L88 F92 R93 L94	L86-H90 WeakPolarHBondContact O-CB 3.37Å; L86-H90 PolarHBondContact O-N 2.9Å; K87-H90 WeakPolarHBondContact O-CA 3.37Å; K87-H90 WeakPolarHBondContact O-CB 3.33Å; K87-H90 PolarHBondContact O-N 2.91Å; L88-H90 VanDerWaalsContact C-N 3.3Å; L88-H90 PolarHBondContact O-N 2.71Å; H90-F92 VanDerWaalsContact C-N 3.28Å; H90-F92 PolarHBondContact O-N 3.46Å; H90-R93 WeakPolarHBondContact O-CB 3.32Å; H90-R93 PolarHBondContact O-N 3.17Å; H90-R93 VanDerWaalsContact O-N 3.1Å; H90-L94 WeakPolarHBondContact NE2-CD1 3.45Å; H90-L94 PolarHBondContact O-N 3.28Å
91	Y	51.6	Low	49.8	Very low	88 Å²	88	110.7 Å²	110.7	35%	0.345	51%	0.506	S	S	.	.	H	α-helix	trans	-58.6	-41.2	174	-81.7	-59.9	0	0	0	112	D54 K87 R93 L94 I95	D54-Y91 VanDerWaalsContact OD2-CE2 3.25Å; D54-Y91 WeakPolarHBondContact OD2-CE2 3.39Å; D54-Y91 PolarHBondContact OD2-OH 3.04Å; K87-Y91 WeakPolarHBondContact O-CD2 3.37Å; K87-Y91 PolarHBondContact O-N 2.96Å; Y91-R93 PolarHBondContact O-N 3.31Å; Y91-L94 WeakPolarHBondContact O-CA 3.47Å; Y91-L94 VanDerWaalsContact O-CB 3.3Å; Y91-L94 WeakPolarHBondContact O-CB 3.47Å; Y91-L94 PolarHBondContact O-N 3.06Å; Y91-L94 VanDerWaalsContact O-N 3.12Å; Y91-I95 VanDerWaalsContact O-CG1 3.3Å; Y91-I95 WeakPolarHBondContact O-CG1 3.33Å; Y91-I95 PolarHBondContact O-N 3.42Å
92	F	53.3	Low	49.3	Very low	43 Å²	43	108 Å²	108	19%	0.189	50%	0.498	C	S	.	.	H	α-helix	trans	-59.2	-45.4	174	-179.1	-93.5	0	0	0	112.3	M6 L88 H90 L94 I95 C96 S106 V108	M6-F92 HydrophobicContact CE-CD2 4.01Å; M6-F92 HydrophobicContact CE-CE2 4.15Å; M6-F92 HydrophobicContact SD-CD2 3.8Å; M6-F92 HydrophobicContact SD-CE2 4.21Å; L88-F92 WeakPolarHBondContact O-CB 3.47Å; L88-F92 PolarHBondContact O-N 3.39Å; H90-F92 VanDerWaalsContact C-N 3.28Å; H90-F92 PolarHBondContact O-N 3.46Å; F92-L94 VanDerWaalsContact C-N 3.26Å; F92-L94 PolarHBondContact O-N 3.14Å; F92-I95 PolarHBondContact O-N 2.91Å; F92-C96 WeakPolarHBondContact O-CB 3.34Å; F92-C96 PolarHBondContact O-N 3.35Å; F92-C96 PolarHBondContact O-SG 2.84Å; F92-C96 VanDerWaalsContact O-SG 3.37Å; F92-S106 VanDerWaalsContact CE2-CB 3.44Å; F92-S106 VanDerWaalsContact CZ-CB 3.4Å; F92-S106 WeakPolarHBondContact CZ-O 3.22Å; F92-V108 HydrophobicContact CD2-CG2 3.69Å; F92-V108 HydrophobicContact CE2-CG2 3.66Å; F92-V108 HydrophobicContact CG-CG2 4.14Å; F92-V108 HydrophobicContact CZ-CG2 4.1Å
93	R	54.8	Low	49.2	Very low	179 Å²	179	98.3 Å²	98.3	68%	0.675	46%	0.463	S	S	*	.	H	α-helix	trans	-60.8	-36.8	174.6	-120.3	179.6	-175.9	176.3	0.5	112.1	R89 H90 Y91 R97	R89-R93 PolarHBondContact O-N 3.43Å; H90-R93 WeakPolarHBondContact O-CB 3.32Å; H90-R93 PolarHBondContact O-N 3.17Å; H90-R93 VanDerWaalsContact O-N 3.1Å; Y91-R93 PolarHBondContact O-N 3.31Å; R93-R97 WeakPolarHBondContact O-CB 3.02Å; R93-R97 VanDerWaalsContact O-CG 3.26Å; R93-R97 WeakPolarHBondContact O-CG 3.05Å; R93-R97 PolarHBondContact O-N 3.32Å
94	L	51.7	Low	48.6	Very low	87 Å²	87	100.9 Å²	100.9	46%	0.455	47%	0.474	S	S	.	.	H	α-helix	trans	-65.7	-50.1	176.5	-109.4	141.8	0	0	0	111.7	H90 Y91 F92 C96 R97 T98	H90-L94 WeakPolarHBondContact NE2-CD1 3.45Å; H90-L94 PolarHBondContact O-N 3.28Å; Y91-L94 WeakPolarHBondContact O-CA 3.47Å; Y91-L94 VanDerWaalsContact O-CB 3.3Å; Y91-L94 WeakPolarHBondContact O-CB 3.47Å; Y91-L94 PolarHBondContact O-N 3.06Å; Y91-L94 VanDerWaalsContact O-N 3.12Å; F92-L94 VanDerWaalsContact C-N 3.26Å; F92-L94 PolarHBondContact O-N 3.14Å; L94-C96 VanDerWaalsContact C-N 3.32Å; L94-C96 PolarHBondContact O-N 2.94Å; L94-R97 PolarHBondContact O-N 3.44Å; L94-T98 PolarHBondContact O-N 3.16Å; L94-T98 PolarHBondContact O-OG1 2.96Å
95	I	50.7	Low	48.2	Very low	69 Å²	69	103.3 Å²	103.3	35%	0.354	49%	0.489	S	S	.	.	H	α-helix	trans	-64.4	-36.6	179	-62.9	167.9	0	0	0	111	Y91 F92 R97 T98 L103	Y91-I95 VanDerWaalsContact O-CG1 3.3Å; Y91-I95 WeakPolarHBondContact O-CG1 3.33Å; Y91-I95 PolarHBondContact O-N 3.42Å; F92-I95 PolarHBondContact O-N 2.91Å; I95-R97 VanDerWaalsContact C-N 3.34Å; I95-T98 WeakPolarHBondContact CA-OG1 3.25Å; I95-T98 PolarHBondContact O-OG1 3.41Å; I95-L103 HydrophobicContact CG2-CD1 3.47Å; I95-L103 VanDerWaalsContact CG2-CD1 3.47Å
96	C	48.4	Very low	47.5	Very low	54 Å²	54	100.5 Å²	100.5	37%	0.365	48%	0.476	S	S	.	.	H	α-helix	trans	-72	-23.1	173.2	-71.8	0	0	0	0	113.8	F92 L94	F92-C96 WeakPolarHBondContact O-CB 3.34Å; F92-C96 PolarHBondContact O-N 3.35Å; F92-C96 PolarHBondContact O-SG 2.84Å; F92-C96 VanDerWaalsContact O-SG 3.37Å; L94-C96 VanDerWaalsContact C-N 3.32Å; L94-C96 PolarHBondContact O-N 2.94Å
97	R	48.7	Very low	46.9	Very low	200 Å²	200	102.6 Å²	102.6	76%	0.755	48%	0.478	S	S	*	.	H	α-helix	trans	-84.5	-33.4	177.5	-85.8	179.1	169.4	-177.3	-3.9	112.8	R93 L94 I95 K99	R93-R97 WeakPolarHBondContact O-CB 3.02Å; R93-R97 VanDerWaalsContact O-CG 3.26Å; R93-R97 WeakPolarHBondContact O-CG 3.05Å; R93-R97 PolarHBondContact O-N 3.32Å; L94-R97 PolarHBondContact O-N 3.44Å; I95-R97 VanDerWaalsContact C-N 3.34Å; R97-K99 PolarHBondContact O-N 2.61Å
98	T	47.3	Very low	46.2	Very low	86 Å²	86	100.2 Å²	100.2	53%	0.528	47%	0.474	S	S	.	.	S	Bend	trans	-62.3	119.9	166.2	46.7	0	0	0	0	107.7	L94 I95 S100	L94-T98 PolarHBondContact O-N 3.16Å; L94-T98 PolarHBondContact O-OG1 2.96Å; I95-T98 WeakPolarHBondContact CA-OG1 3.25Å; I95-T98 PolarHBondContact O-OG1 3.41Å; T98-S100 PolarHBondContact O-N 3.14Å
99	K	42.3	Very low	45.4	Very low	215 Å²	215	103.3 Å²	103.3	94%	0.935	49%	0.485	S	S	*	.			trans	-62.4	46.3	-166.8	-69.2	179.2	171.2	177	0	115.7	R97 S101	R97-K99 PolarHBondContact O-N 2.61Å; K99-S101 PolarHBondContact O-N 2.78Å
100	S	41.1	Very low	44.4	Very low	63 Å²	63	97.3 Å²	97.3	44%	0.441	47%	0.471	S	S	.	.			trans	-79.1	107.9	166.5	-170.9	0	0	0	0	108.4	T98 V102 L103	T98-S100 PolarHBondContact O-N 3.14Å; S100-V102 PolarHBondContact O-N 3.17Å; S100-L103 PolarHBondContact O-N 3.34Å
101	S	42.3	Very low	43.5	Very low	63 Å²	63	93.3 Å²	93.3	44%	0.441	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-1	176.1	62.1	0	0	0	0	114.8	R11 K99	R11-S101 VanDerWaalsContact CZ-OG 3.25Å; R11-S101 PolarHBondContact NH1-OG 3.45Å; R11-S101 PolarHBondContact NH2-OG 3.24Å; K99-S101 PolarHBondContact O-N 2.78Å
102	V	40.5	Very low	42.5	Very low	55 Å²	55	92.3 Å²	92.3	33%	0.333	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-18.1	-178	-174.8	0	0	0	0	112.9	S100	S100-V102 PolarHBondContact O-N 3.17Å
103	L	42.1	Very low	41.5	Very low	16 Å²	16	94.4 Å²	94.4	8%	0.084	48%	0.479	C	S	.	.			trans	-112.6	13.5	-163.8	-68.8	174.4	0	0	0	116.8	Y8 I95 S100 N105 S106	Y8-L103 HydrophobicContact CD2-CD2 3.65Å; Y8-L103 HydrophobicContact CE2-CD2 4.1Å; Y8-L103 HydrophobicContact CG-CD2 3.95Å; I95-L103 HydrophobicContact CG2-CD1 3.47Å; I95-L103 VanDerWaalsContact CG2-CD1 3.47Å; S100-L103 PolarHBondContact O-N 3.34Å; L103-N105 PolarHBondContact O-N 3.23Å; L103-S106 PolarHBondContact O-OG 2.97Å
104	K	39.4	Very low	40.3	Very low	194 Å²	194	92.3 Å²	92.3	84%	0.843	48%	0.48	S	S	*	.	S	Bend	trans	-60.1	-18.4	-178.8	-84.8	-173.4	173.7	-175.8	0	114.6
105	N	38.2	Very low	39	Very low	95 Å²	95	91.7 Å²	91.7	51%	0.508	49%	0.494	S	S	.	.	S	Bend	trans	-132.6	73.2	-177.6	-71.2	-29.1	0	0	0	111.9	K9 L103	K9-N105 HydrophobicContact CB-CB 4.42Å; K9-N105 PolarHBondContact N-O 3.1Å; K9-N105 VanDerWaalsContact N-O 3.16Å; L103-N105 PolarHBondContact O-N 3.23Å
106	S	37.3	Very low	37.8	Very low	21 Å²	21	96.7 Å²	96.7	15%	0.147	55%	0.546	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.9	-178.9	-52.8	0	0	0	0	109.9	Y8 F92 L103	Y8-S106 WeakPolarHBondContact CB-OG 3.36Å; F92-S106 VanDerWaalsContact CE2-CB 3.44Å; F92-S106 VanDerWaalsContact CZ-CB 3.4Å; F92-S106 WeakPolarHBondContact CZ-O 3.22Å; L103-S106 PolarHBondContact O-OG 2.97Å
107	Y	38.5	Very low	37.3	Very low	154 Å²	154	98.8 Å²	98.8	60%	0.604	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.5	133.2	176.5	-64.9	-88.5	0	0	0	109.5	I7 F109	I7-Y107 PolarHBondContact N-O 3.24Å; I7-Y107 PolarHBondContact O-N 3.38Å; Y107-F109 VanDerWaalsContact CB-CE2 3.44Å; Y107-F109 HydrophobicContact CG-CE2 4.35Å; Y107-F109 HydrophobicContact CG-CZ 4.46Å
108	V	38.8	Very low	36.7	Very low	79 Å²	79	93.5 Å²	93.5	48%	0.479	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	111.6	176.2	-178.3	0	0	0	0	107.8	M6 F92	M6-V108 HydrophobicContact CG-CB 4.29Å; M6-V108 HydrophobicContact CG-CG1 4.32Å; M6-V108 HydrophobicContact CG-CG2 3.84Å; M6-V108 HydrophobicContact SD-CG2 4.12Å; F92-V108 HydrophobicContact CD2-CG2 3.69Å; F92-V108 HydrophobicContact CE2-CG2 3.66Å; F92-V108 HydrophobicContact CG-CG2 4.14Å; F92-V108 HydrophobicContact CZ-CG2 4.1Å
109	F	37.8	Very low	36.1	Very low	112 Å²	112	93.9 Å²	93.9	49%	0.491	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	122.8	173.3	-63.3	-84.4	0	0	0	109.7	V5 Y107 L111	V5-F109 CarbonylContact C-O 3.53Å; V5-F109 PolarHBondContact N-O 3.41Å; V5-F109 VanDerWaalsContact N-O 3.07Å; V5-F109 CarbonylContact O-C 3.53Å; V5-F109 WeakPolarHBondContact O-CA 3.3Å; V5-F109 WeakPolarHBondContact O-CB 3.46Å; V5-F109 PolarHBondContact O-N 3.06Å; Y107-F109 VanDerWaalsContact CB-CE2 3.44Å; Y107-F109 HydrophobicContact CG-CE2 4.35Å; Y107-F109 HydrophobicContact CG-CZ 4.46Å; F109-L111 PolarHBondContact O-N 3.49Å
110	S	32.9	Very low	35.7	Very low	52 Å²	52	86.8 Å²	86.8	36%	0.364	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	114.1	165.5	165.9	0	0	0	0	107.8	D112 A113	S110-D112 PolarHBondContact O-N 3.25Å; S110-A113 PolarHBondContact O-N 3.42Å
111	L	35.6	Very low	35.4	Very low	35 Å²	35	88.3 Å²	88.3	18%	0.183	53%	0.528	C	S	.	.	G	3₁₀ helix	trans	-78	2.7	-179.9	-118.7	176.7	0	0	0	112.5	L3 V5 F109 A113 I114	L3-L111 VanDerWaalsContact C-CB 3.46Å; L3-L111 HydrophobicContact CB-CB 3.97Å; L3-L111 HydrophobicContact CB-CD1 4.1Å; L3-L111 HydrophobicContact CD2-CD1 3.47Å; L3-L111 VanDerWaalsContact CD2-CD1 3.47Å; L3-L111 HydrophobicContact CG-CB 4.31Å; L3-L111 HydrophobicContact CG-CD1 3.58Å; L3-L111 CarbonylContact O-C 3.51Å; L3-L111 WeakPolarHBondContact O-CA 3.02Å; L3-L111 WeakPolarHBondContact O-CB 2.86Å; L3-L111 PolarHBondContact O-N 3.46Å; V5-L111 HydrophobicContact CB-CD1 3.55Å; V5-L111 HydrophobicContact CB-CG 3.99Å; V5-L111 HydrophobicContact CG2-CD1 3.17Å; V5-L111 HydrophobicContact CG2-CG 4.14Å; F109-L111 PolarHBondContact O-N 3.49Å; L111-A113 PolarHBondContact O-N 3.43Å; L111-A113 VanDerWaalsContact O-N 3.13Å; L111-I114 HydrophobicContact CD2-CB 3.59Å; L111-I114 HydrophobicContact CD2-CD1 3.69Å; L111-I114 HydrophobicContact CD2-CG1 3.77Å; L111-I114 PolarHBondContact O-N 3.48Å
112	D	31.6	Very low	34.9	Very low	66 Å²	66	89.9 Å²	89.9	35%	0.353	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-62.1	-8	161.7	-81.7	-0.7	0	0	0	113.2	P2 K81 S110	P2-D112 WeakPolarHBondContact CA-OD1 3.47Å; P2-D112 WeakPolarHBondContact CB-OD1 3.3Å; P2-D112 WeakPolarHBondContact CB-OD2 3.12Å; K81-D112 VanDerWaalsContact CE-OD2 3.3Å; K81-D112 WeakPolarHBondContact CE-OD2 3.41Å; K81-D112 IonicContact NZ-OD2 2.81Å; K81-D112 PolarHBondContact NZ-OD2 2.99Å; S110-D112 PolarHBondContact O-N 3.25Å
113	A	30.9	Very low	34.5	Very low	88 Å²	88	92.4 Å²	92.4	73%	0.727	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-98.6	-3.2	178.3	0	0	0	0	0	114.7	S110 L111	S110-A113 PolarHBondContact O-N 3.42Å; L111-A113 PolarHBondContact O-N 3.43Å; L111-A113 VanDerWaalsContact O-N 3.13Å
114	I	29.8	Very low	33.9	Very low	134 Å²	134	98.3 Å²	98.3	69%	0.687	58%	0.584	S	S	*	*	S	Bend	trans	-116.1	86.2	177.1	-46.9	-178.7	0	0	0	108.3	L111	L111-I114 HydrophobicContact CD2-CB 3.59Å; L111-I114 HydrophobicContact CD2-CD1 3.69Å; L111-I114 HydrophobicContact CD2-CG1 3.77Å; L111-I114 PolarHBondContact O-N 3.48Å
115	G	25	Very low	33.5	Very low	74 Å²	74	90.3 Å²	90.3	76%	0.763	56%	0.562	S	S	*	*			trans	88.8	79.1	166.9	0	0	0	0	0	115.2
116	A	25.3	Very low	33	Very low	174 Å²	174	89.9 Å²	89.9	100%	1.438	57%	0.567	S	S	*	*				-84.9	0	126.9	0	0	0	0	0	108

Retrieved 116 of 116 residues in 21.8 ms (Link to these results)

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