YI115_YEAST Loading...

Putative uncharacterized protein YIL115W-A

AlphaFold DB , UniProt , Accession A0A023PZJ9, Species YEAST (Saccharomyces cerevisiae (strain ATCC 204508 / S288c), Baker's yeast), Gene n/a, Length 123 aa.

						>YI115_YEAST|A0A023PZJ9
MIEDEFIINGTNNVHIAKYHYFAMFKFLKKSPICFFVFMANPTSTTLNPFMSFVIEEDASNDEAFLPFSSNCNLLTCSRNNLISFSKPSRARDSLASFATNGLSSNLLFFTVNNFKMFSNSSV
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	46.3	Very low	38.8	Very low	162 Å²	162	91.4 Å²	91.4	80%	0.798	49%	0.489	S	S	*	.				0	131.5	0	-175.6	171.3	75	0	0	106.9	H20 M39	M1-H20 HydrophobicContact CG-CB 4.24Å; M1-H20 HydrophobicContact SD-CB 4.06Å; M1-M39 HydrophobicContact SD-CE 4.05Å
2	I	39.6	Very low	38.9	Very low	89 Å²	89	95.8 Å²	95.8	46%	0.456	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.1	177.9	-57.6	175.4	0	0	0	106.5	Y21	I2-Y21 HydrophobicContact CB-CE1 4.17Å; I2-Y21 HydrophobicContact CB-CE2 4.06Å; I2-Y21 HydrophobicContact CD1-CE2 4.07Å; I2-Y21 HydrophobicContact CG2-CE1 4.01Å; I2-Y21 HydrophobicContact CG2-CE2 4.44Å; I2-Y21 PolarHBondContact N-O 2.73Å; I2-Y21 PolarHBondContact O-N 3.37Å
3	E	38.3	Very low	39	Very low	104 Å²	104	96.6 Å²	96.6	49%	0.486	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132.2	168.9	-176.2	175.2	171.5	0	0	107.5	K18 H20	E3-K18 IonicContact OE1-NZ 3.88Å; E3-H20 IonicContact OE1-CE1 3.84Å; E3-H20 IonicContact OE2-CE1 3.3Å; E3-H20 PolarHBondContact OE2-CE1 3.31Å; E3-H20 VanDerWaalsContact OE2-CE1 3.3Å; E3-H20 IonicContact OE2-ND1 3.85Å
4	D	42.8	Very low	39.1	Very low	64 Å²	64	96.4 Å²	96.4	34%	0.342	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149.4	176.7	-151.3	-9.7	0	0	0	109.4	F6 Y19 Y21	D4-F6 HydrophobicContact CB-CE2 3.97Å; D4-F6 HydrophobicContact CB-CZ 4.42Å; D4-Y19 PolarHBondContact N-O 2.54Å; D4-Y19 PolarHBondContact O-N 3.39Å; D4-Y21 HydrophobicContact CB-CE1 3.88Å
5	E	40.4	Very low	39.1	Very low	96 Å²	96	96.2 Å²	96.2	45%	0.449	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124	-177.6	-60.7	-168.7	170.1	0	0	109.1	I16 K18	E5-I16 HydrophobicContact CB-CG2 4.38Å; E5-K18 HydrophobicContact CG-CD 4.36Å; E5-K18 HydrophobicContact CG-CG 4.1Å; E5-K18 WeakPolarHBondContact OE1-CE 3.42Å; E5-K18 IonicContact OE1-NZ 2.65Å; E5-K18 PolarHBondContact OE1-NZ 3.28Å
6	F	40.8	Very low	39.4	Very low	32 Å²	32	96 Å²	96	14%	0.14	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.4	174.8	-67.2	-83	0	0	0	110.3	D4 A17 Y19	D4-F6 HydrophobicContact CB-CE2 3.97Å; D4-F6 HydrophobicContact CB-CZ 4.42Å; F6-A17 PolarHBondContact N-O 3.18Å; F6-A17 PolarHBondContact O-N 3.24Å; F6-A17 VanDerWaalsContact O-N 3.12Å; F6-Y19 HydrophobicContact CD2-CD2 4.29Å
7	I	37.3	Very low	39.8	Very low	116 Å²	116	90.8 Å²	90.8	60%	0.595	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	110.8	173	-58.9	-175.5	0	0	0	107.7	V14	I7-V14 HydrophobicContact CG2-CG1 3.24Å
8	I	38.2	Very low	40	Very low	38 Å²	38	89.4 Å²	89.4	20%	0.195	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	104.1	175.3	-46.1	168.5	0	0	0	107.2	G10 V14 H15 A17 L108	I8-G10 PolarHBondContact O-N 2.73Å; I8-G10 VanDerWaalsContact O-N 3.1Å; I8-V14 WeakPolarHBondContact O-CA 3.24Å; I8-H15 WeakPolarHBondContact CA-O 3.49Å; I8-H15 HydrophobicContact CB-CB 4.19Å; I8-H15 VanDerWaalsContact CB-O 3.31Å; I8-H15 WeakPolarHBondContact CB-O 3.4Å; I8-H15 HydrophobicContact CD1-CB 4.33Å; I8-H15 WeakPolarHBondContact CG1-O 3.42Å; I8-H15 PolarHBondContact N-O 3.32Å; I8-H15 PolarHBondContact O-N 2.79Å; I8-A17 HydrophobicContact CD1-CB 3.61Å; I8-A17 HydrophobicContact CG1-CB 4.46Å; I8-L108 HydrophobicContact CB-CD2 4.22Å; I8-L108 HydrophobicContact CD1-CD1 3.97Å; I8-L108 HydrophobicContact CD1-CD2 3.23Å; I8-L108 HydrophobicContact CD1-CG 4.24Å; I8-L108 HydrophobicContact CG1-CD2 3.33Å; I8-L108 HydrophobicContact CG2-CD2 3.9Å
9	N	33.3	Very low	40.4	Very low	123 Å²	123	85.8 Å²	85.8	66%	0.658	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	91.5	171.2	-70.2	-20.5	0	0	0	108.7
10	G	33.1	Very low	40.6	Very low	37 Å²	37	83.2 Å²	83.2	38%	0.381	44%	0.439	S	S	.	.			trans	-70.2	161.9	162.8	0	0	0	0	0	110.3	I8 N12 N13	I8-G10 PolarHBondContact O-N 2.73Å; I8-G10 VanDerWaalsContact O-N 3.1Å; G10-N12 PolarHBondContact O-N 3.06Å; G10-N13 WeakPolarHBondContact CA-O 2.91Å; G10-N13 PolarHBondContact N-O 3.01Å
11	T	36.6	Very low	41.1	Very low	144 Å²	144	80.9 Å²	80.9	88%	0.883	43%	0.425	S	S	*	.	S	Bend	trans	-54.1	-28.8	-179.1	35	0	0	0	0	113.9
12	N	40.1	Very low	40.8	Very low	145 Å²	145	76.3 Å²	76.3	78%	0.775	40%	0.401	S	S	*	.	S	Bend	trans	-131.1	-1.2	-178.5	-70.3	-26.3	0	0	0	115.1	G10	G10-N12 PolarHBondContact O-N 3.06Å
13	N	40	Very low	40.9	Very low	106 Å²	106	74.2 Å²	74.2	57%	0.567	40%	0.396	S	S	*	.			trans	-151.6	138.3	-178.3	-81.4	-37.6	0	0	0	111.6	G10 H15	G10-N13 WeakPolarHBondContact CA-O 2.91Å; G10-N13 PolarHBondContact N-O 3.01Å; N13-H15 WeakPolarHBondContact CB-NE2 3.31Å
14	V	41.1	Very low	41	Very low	93 Å²	93	74.3 Å²	74.3	56%	0.564	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	112.5	169.8	-178.8	0	0	0	0	108.2	I7 I8	I7-V14 HydrophobicContact CG2-CG1 3.24Å; I8-V14 WeakPolarHBondContact O-CA 3.24Å
15	H	38.8	Very low	40.8	Very low	94 Å²	94	76 Å²	76	44%	0.435	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117	174.1	-65.6	-82.2	0	0	0	109	I8 N13 A17	I8-H15 WeakPolarHBondContact CA-O 3.49Å; I8-H15 HydrophobicContact CB-CB 4.19Å; I8-H15 VanDerWaalsContact CB-O 3.31Å; I8-H15 WeakPolarHBondContact CB-O 3.4Å; I8-H15 HydrophobicContact CD1-CB 4.33Å; I8-H15 WeakPolarHBondContact CG1-O 3.42Å; I8-H15 PolarHBondContact N-O 3.32Å; I8-H15 PolarHBondContact O-N 2.79Å; N13-H15 WeakPolarHBondContact CB-NE2 3.31Å; H15-A17 PolarHBondContact O-N 2.77Å
16	I	43.8	Very low	40.7	Very low	93 Å²	93	77.2 Å²	77.2	48%	0.477	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	111.8	169.5	-55.9	175.2	0	0	0	106.6	E5	E5-I16 HydrophobicContact CB-CG2 4.38Å
17	A	46.8	Very low	40.6	Very low	7 Å²	7	82.9 Å²	82.9	6%	0.058	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.7	174.9	0	0	0	0	0	108.3	F6 I8 H15 Y19	F6-A17 PolarHBondContact N-O 3.18Å; F6-A17 PolarHBondContact O-N 3.24Å; F6-A17 VanDerWaalsContact O-N 3.12Å; I8-A17 HydrophobicContact CD1-CB 3.61Å; I8-A17 HydrophobicContact CG1-CB 4.46Å; H15-A17 PolarHBondContact O-N 2.77Å; A17-Y19 HydrophobicContact CB-CD2 4.25Å; A17-Y19 HydrophobicContact CB-CE2 3.33Å; A17-Y19 WeakPolarHBondContact O-CD2 3.12Å
18	K	43	Very low	40.8	Very low	67 Å²	67	81.3 Å²	81.3	29%	0.291	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	127.7	176	-56.9	-159.7	-177.4	-146.5	0	108.6	E3 E5 N41	E3-K18 IonicContact OE1-NZ 3.88Å; E5-K18 HydrophobicContact CG-CD 4.36Å; E5-K18 HydrophobicContact CG-CG 4.1Å; E5-K18 WeakPolarHBondContact OE1-CE 3.42Å; E5-K18 IonicContact OE1-NZ 2.65Å; E5-K18 PolarHBondContact OE1-NZ 3.28Å; K18-N41 HydrophobicContact CB-CB 4.25Å; K18-N41 PolarHBondContact O-N 2.96Å
19	Y	47.8	Very low	41.1	Very low	20 Å²	20	90.1 Å²	90.1	8%	0.078	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.2	174.3	-67.6	-95.4	0	0	0	109.7	D4 F6 A17 M39 A40 L108	D4-Y19 PolarHBondContact N-O 2.54Å; D4-Y19 PolarHBondContact O-N 3.39Å; F6-Y19 HydrophobicContact CD2-CD2 4.29Å; A17-Y19 HydrophobicContact CB-CD2 4.25Å; A17-Y19 HydrophobicContact CB-CE2 3.33Å; A17-Y19 WeakPolarHBondContact O-CD2 3.12Å; Y19-M39 CarbonylContact C-O 3.49Å; Y19-M39 VanDerWaalsContact CA-O 3.24Å; Y19-M39 WeakPolarHBondContact CA-O 3.24Å; Y19-A40 HydrophobicContact CD1-CB 3.77Å; Y19-A40 HydrophobicContact CE1-CB 3.17Å; Y19-L108 HydrophobicContact CE1-CD1 4.16Å; Y19-L108 HydrophobicContact CE2-CD1 3.8Å; Y19-L108 WeakPolarHBondContact OH-CD1 3.49Å
20	H	43.9	Very low	41.6	Very low	33 Å²	33	94 Å²	94	15%	0.153	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129	163.5	-57.3	-79.5	0	0	0	107.5	M1 E3 F38 M39	M1-H20 HydrophobicContact CG-CB 4.24Å; M1-H20 HydrophobicContact SD-CB 4.06Å; E3-H20 IonicContact OE1-CE1 3.84Å; E3-H20 IonicContact OE2-CE1 3.3Å; E3-H20 PolarHBondContact OE2-CE1 3.31Å; E3-H20 VanDerWaalsContact OE2-CE1 3.3Å; E3-H20 IonicContact OE2-ND1 3.85Å; H20-F38 CarbonylContact O-C 3.54Å; H20-M39 HydrophobicContact CB-CB 4.35Å; H20-M39 HydrophobicContact CB-CE 3.84Å; H20-M39 PolarHBondContact N-O 2.79Å; H20-M39 WeakPolarHBondContact O-CB 3.01Å; H20-M39 PolarHBondContact O-N 3.34Å
21	Y	51.4	Low	41.8	Very low	35 Å²	35	93 Å²	93	14%	0.137	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	155.9	171	67.4	-87.5	0	0	0	112.3	I2 D4 V37 F38	I2-Y21 HydrophobicContact CB-CE1 4.17Å; I2-Y21 HydrophobicContact CB-CE2 4.06Å; I2-Y21 HydrophobicContact CD1-CE2 4.07Å; I2-Y21 HydrophobicContact CG2-CE1 4.01Å; I2-Y21 HydrophobicContact CG2-CE2 4.44Å; I2-Y21 PolarHBondContact N-O 2.73Å; I2-Y21 PolarHBondContact O-N 3.37Å; D4-Y21 HydrophobicContact CB-CE1 3.88Å; Y21-V37 WeakPolarHBondContact CA-O 3.35Å; Y21-V37 VanDerWaalsContact CB-O 3.24Å; Y21-V37 WeakPolarHBondContact CB-O 3.41Å; Y21-F38 HydrophobicContact CD1-CD1 4.21Å; Y21-F38 HydrophobicContact CD1-CE1 4.01Å; Y21-F38 HydrophobicContact CD2-CE1 4.16Å; Y21-F38 AromaticContact CG-CD1 3.91Å; Y21-F38 HydrophobicContact CG-CD1 3.91Å; Y21-F38 AromaticContact CG-CE1 3.65Å; Y21-F38 HydrophobicContact CG-CE1 3.65Å
22	F	40.4	Very low	41.9	Very low	67 Å²	67	88.9 Å²	88.9	29%	0.294	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	142.2	169.9	62.7	-83	0	0	0	109.9	M24 V37 M39	F22-M24 HydrophobicContact CD2-CG 3.62Å; F22-M24 HydrophobicContact CD2-SD 4.34Å; F22-M24 HydrophobicContact CE2-CG 3.5Å; F22-M24 HydrophobicContact CE2-SD 3.61Å; F22-V37 HydrophobicContact CD1-CB 4.12Å; F22-V37 HydrophobicContact CE1-CB 3.62Å; F22-V37 HydrophobicContact CE1-CG1 3.72Å; F22-V37 HydrophobicContact CE1-CG2 4.27Å; F22-V37 HydrophobicContact CE2-CB 4.21Å; F22-V37 HydrophobicContact CE2-CG2 4.07Å; F22-V37 HydrophobicContact CZ-CB 3.68Å; F22-V37 HydrophobicContact CZ-CG1 3.95Å; F22-V37 HydrophobicContact CZ-CG2 3.79Å; F22-V37 PolarHBondContact N-O 2.99Å; F22-V37 VanDerWaalsContact N-O 3.13Å; F22-V37 PolarHBondContact O-N 3.13Å; F22-M39 HydrophobicContact CD1-CE 4.29Å; F22-M39 HydrophobicContact CE1-CE 4.17Å
23	A	41.2	Very low	42	Very low	44 Å²	44	82.3 Å²	82.3	36%	0.364	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	128.8	169.4	0	0	0	0	0	108.4	F25 F35 F36	A23-F25 HydrophobicContact CB-CE2 4.16Å; A23-F35 CarbonylContact C-O 3.55Å; A23-F35 VanDerWaalsContact CA-O 3.24Å; A23-F35 WeakPolarHBondContact CA-O 3.5Å; A23-F36 HydrophobicContact CB-CD1 3.82Å; A23-F36 HydrophobicContact CB-CE1 3.58Å
24	M	39.8	Very low	41.9	Very low	107 Å²	107	77.6 Å²	77.6	53%	0.527	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.7	164.6	-68.9	-174.2	65.8	0	0	109.4	F22 C34 F35	F22-M24 HydrophobicContact CD2-CG 3.62Å; F22-M24 HydrophobicContact CD2-SD 4.34Å; F22-M24 HydrophobicContact CE2-CG 3.5Å; F22-M24 HydrophobicContact CE2-SD 3.61Å; M24-C34 CarbonylContact O-C 3.58Å; M24-C34 WeakPolarHBondContact O-CA 3.11Å; M24-F35 HydrophobicContact CB-CB 4.27Å; M24-F35 PolarHBondContact N-O 3.08Å; M24-F35 PolarHBondContact O-N 2.84Å
25	F	39.5	Very low	42	Very low	100 Å²	100	75.3 Å²	75.3	44%	0.439	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.1	169.5	-65.5	-89.1	0	0	0	109	A23 F27 I33 C34	A23-F25 HydrophobicContact CB-CE2 4.16Å; F25-F27 HydrophobicContact CB-CE2 4.38Å; F25-I33 CarbonylContact C-O 3.52Å; F25-I33 WeakPolarHBondContact CA-O 3.06Å; F25-C34 HydrophobicContact CD1-CB 3.84Å; F25-C34 HydrophobicContact CE1-CB 3.61Å; F25-C34 WeakPolarHBondContact CE1-SG 3.32Å; F25-C34 HydrophobicContact CZ-CB 4.31Å; F25-C34 WeakPolarHBondContact CZ-SG 3.22Å
26	K	38.2	Very low	42.3	Very low	120 Å²	120	71.6 Å²	71.6	52%	0.522	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	109.6	167.6	-167.7	177.2	-176.2	179	0	108.4	L28 I33 F35	K26-L28 VanDerWaalsContact C-N 3.35Å; K26-L28 HydrophobicContact CD-CD2 3.99Å; K26-L28 HydrophobicContact CD-CG 4.48Å; K26-L28 HydrophobicContact CG-CD2 4.23Å; K26-L28 HydrophobicContact CG-CG 4.49Å; K26-L28 PolarHBondContact O-N 3.28Å; K26-I33 PolarHBondContact N-O 3.24Å; K26-I33 PolarHBondContact O-N 2.98Å; K26-F35 HydrophobicContact CB-CE2 3.85Å
27	F	38.1	Very low	42.2	Very low	152 Å²	152	68.5 Å²	68.5	67%	0.667	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	93.6	168	-64.1	-86.7	0	0	0	108.3	F25 P32	F25-F27 HydrophobicContact CB-CE2 4.38Å; F27-P32 HydrophobicContact CD1-CB 3.78Å; F27-P32 HydrophobicContact CE1-CB 3.84Å
28	L	42.8	Very low	42.2	Very low	82 Å²	82	69 Å²	69	43%	0.429	33%	0.326	S	S	.	.			trans	-75	153.3	160.7	-67.4	-174.8	0	0	0	107.9	K26 K30 S31 I33	K26-L28 VanDerWaalsContact C-N 3.35Å; K26-L28 HydrophobicContact CD-CD2 3.99Å; K26-L28 HydrophobicContact CD-CG 4.48Å; K26-L28 HydrophobicContact CG-CD2 4.23Å; K26-L28 HydrophobicContact CG-CG 4.49Å; K26-L28 PolarHBondContact O-N 3.28Å; L28-K30 PolarHBondContact O-N 3.44Å; L28-S31 PolarHBondContact N-O 3.26Å; L28-S31 PolarHBondContact O-N 2.86Å; L28-I33 HydrophobicContact CD1-CD1 3.31Å; L28-I33 HydrophobicContact CD1-CG1 4.41Å; L28-I33 HydrophobicContact CG-CD1 3.93Å
29	K	43	Very low	42.1	Very low	224 Å²	224	68 Å²	68	97%	0.974	32%	0.323	S	S	*	.	S	Bend	trans	-48.4	-20.4	-172.7	-74.8	-173.5	176	-177.5	0	115.6
30	K	43.7	Very low	42	Very low	204 Å²	204	67.5 Å²	67.5	89%	0.887	32%	0.322	S	S	*	.	S	Bend	trans	-116.5	-31.9	-177.7	-66.4	-171.6	176	-174.6	0	114.9	L28	L28-K30 PolarHBondContact O-N 3.44Å
31	S	38.5	Very low	41.8	Very low	17 Å²	17	69.3 Å²	69.3	12%	0.119	33%	0.333	C	S	.	.			trans	-147	135.2	-177.4	-55.3	0	0	0	0	110.5	L28 I33 D58	L28-S31 PolarHBondContact N-O 3.26Å; L28-S31 PolarHBondContact O-N 2.86Å; S31-I33 PolarHBondContact O-N 2.96Å; S31-D58 WeakPolarHBondContact CB-OD1 3.35Å; S31-D58 PolarHBondContact OG-OD1 2.89Å
32	P	37.8	Very low	41.3	Very low	56 Å²	56	70.2 Å²	70.2	36%	0.364	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	127.1	166.1	28.3	-30.4	0	0	0	109.1	F27	F27-P32 HydrophobicContact CD1-CB 3.78Å; F27-P32 HydrophobicContact CE1-CB 3.84Å
33	I	42.5	Very low	41.4	Very low	8 Å²	8	72.1 Å²	72.1	4%	0.041	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	126.5	171.5	-60.8	166.8	0	0	0	108.2	F25 K26 L28 S31 F35 E56	F25-I33 CarbonylContact C-O 3.52Å; F25-I33 WeakPolarHBondContact CA-O 3.06Å; K26-I33 PolarHBondContact N-O 3.24Å; K26-I33 PolarHBondContact O-N 2.98Å; L28-I33 HydrophobicContact CD1-CD1 3.31Å; L28-I33 HydrophobicContact CD1-CG1 4.41Å; L28-I33 HydrophobicContact CG-CD1 3.93Å; S31-I33 PolarHBondContact O-N 2.96Å; I33-F35 HydrophobicContact CB-CD2 4.4Å; I33-F35 HydrophobicContact CB-CE2 3.66Å; I33-F35 HydrophobicContact CB-CZ 4.12Å; I33-F35 HydrophobicContact CD1-CZ 4.47Å; I33-F35 HydrophobicContact CG2-CD2 3.78Å; I33-F35 HydrophobicContact CG2-CE1 4.23Å; I33-F35 HydrophobicContact CG2-CE2 3.24Å; I33-F35 HydrophobicContact CG2-CG 4.46Å; I33-F35 HydrophobicContact CG2-CZ 3.45Å; I33-F35 VanDerWaalsContact CG2-CZ 3.45Å; I33-E56 HydrophobicContact CD1-CG 3.96Å; I33-E56 WeakPolarHBondContact CD1-OE1 3.45Å; I33-E56 HydrophobicContact CG1-CG 4.11Å; I33-E56 HydrophobicContact CG2-CB 3.98Å; I33-E56 HydrophobicContact CG2-CG 3.66Å
34	C	38.4	Very low	41.3	Very low	6 Å²	6	71.7 Å²	71.7	4%	0.041	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.5	171.5	-168.4	0	0	0	0	110.4	M24 F25 F36	M24-C34 CarbonylContact O-C 3.58Å; M24-C34 WeakPolarHBondContact O-CA 3.11Å; F25-C34 HydrophobicContact CD1-CB 3.84Å; F25-C34 HydrophobicContact CE1-CB 3.61Å; F25-C34 WeakPolarHBondContact CE1-SG 3.32Å; F25-C34 HydrophobicContact CZ-CB 4.31Å; F25-C34 WeakPolarHBondContact CZ-SG 3.22Å; C34-F36 HydrophobicContact CB-CZ 4.32Å; C34-F36 WeakPolarHBondContact SG-CE1 3.34Å; C34-F36 WeakPolarHBondContact SG-CZ 3.42Å
35	F	42.9	Very low	41.1	Very low	45 Å²	45	73.8 Å²	73.8	20%	0.197	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.9	176.4	-58.7	-108.8	0	0	0	108.9	A23 M24 K26 I33 V54 I55	A23-F35 CarbonylContact C-O 3.55Å; A23-F35 VanDerWaalsContact CA-O 3.24Å; A23-F35 WeakPolarHBondContact CA-O 3.5Å; M24-F35 HydrophobicContact CB-CB 4.27Å; M24-F35 PolarHBondContact N-O 3.08Å; M24-F35 PolarHBondContact O-N 2.84Å; K26-F35 HydrophobicContact CB-CE2 3.85Å; I33-F35 HydrophobicContact CB-CD2 4.4Å; I33-F35 HydrophobicContact CB-CE2 3.66Å; I33-F35 HydrophobicContact CB-CZ 4.12Å; I33-F35 HydrophobicContact CD1-CZ 4.47Å; I33-F35 HydrophobicContact CG2-CD2 3.78Å; I33-F35 HydrophobicContact CG2-CE1 4.23Å; I33-F35 HydrophobicContact CG2-CE2 3.24Å; I33-F35 HydrophobicContact CG2-CG 4.46Å; I33-F35 HydrophobicContact CG2-CZ 3.45Å; I33-F35 VanDerWaalsContact CG2-CZ 3.45Å; F35-V54 HydrophobicContact CB-CG1 4.43Å; F35-V54 HydrophobicContact CD1-CB 4.09Å; F35-V54 HydrophobicContact CD1-CG1 3.08Å; F35-V54 HydrophobicContact CD1-CG2 3.88Å; F35-V54 HydrophobicContact CE1-CG1 3.45Å; F35-V54 VanDerWaalsContact CE1-CG1 3.45Å; F35-V54 HydrophobicContact CG-CG1 4.06Å; F35-I55 WeakPolarHBondContact CA-O 3.44Å
36	F	44.5	Very low	41	Very low	17 Å²	17	74.8 Å²	74.8	8%	0.075	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	108.4	168.8	-58.4	-60	0	0	0	110.1	A23 C34 F38 I55 F115	A23-F36 HydrophobicContact CB-CD1 3.82Å; A23-F36 HydrophobicContact CB-CE1 3.58Å; C34-F36 HydrophobicContact CB-CZ 4.32Å; C34-F36 WeakPolarHBondContact SG-CE1 3.34Å; C34-F36 WeakPolarHBondContact SG-CZ 3.42Å; F36-F38 HydrophobicContact CB-CD2 4.26Å; F36-F38 HydrophobicContact CB-CE2 3.43Å; F36-F38 VanDerWaalsContact CB-CE2 3.43Å; F36-F38 HydrophobicContact CB-CZ 3.82Å; F36-F38 HydrophobicContact CG-CE2 4.48Å; F36-I55 HydrophobicContact CD2-CB 4.19Å; F36-I55 HydrophobicContact CD2-CD1 3.91Å; F36-F115 HydrophobicContact CD1-CE1 4.46Å; F36-F115 AromaticContact CD1-CZ 3.71Å; F36-F115 HydrophobicContact CD1-CZ 3.71Å; F36-F115 AromaticContact CE1-CE1 3.32Å; F36-F115 HydrophobicContact CE1-CE1 3.32Å; F36-F115 HydrophobicContact CE1-CE2 4.06Å; F36-F115 AromaticContact CE1-CZ 2.94Å; F36-F115 HydrophobicContact CE1-CZ 2.94Å; F36-F115 HydrophobicContact CE2-CE1 4.42Å; F36-F115 HydrophobicContact CE2-CZ 4.19Å; F36-F115 HydrophobicContact CZ-CD1 4.34Å; F36-F115 AromaticContact CZ-CE1 3.25Å; F36-F115 HydrophobicContact CZ-CE1 3.25Å; F36-F115 HydrophobicContact CZ-CE2 4.18Å; F36-F115 AromaticContact CZ-CZ 3.18Å; F36-F115 HydrophobicContact CZ-CZ 3.18Å
37	V	42.9	Very low	40.7	Very low	28 Å²	28	71.5 Å²	71.5	17%	0.17	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	119.6	174.3	-179.2	0	0	0	0	107.9	Y21 F22 M39	Y21-V37 WeakPolarHBondContact CA-O 3.35Å; Y21-V37 VanDerWaalsContact CB-O 3.24Å; Y21-V37 WeakPolarHBondContact CB-O 3.41Å; F22-V37 HydrophobicContact CD1-CB 4.12Å; F22-V37 HydrophobicContact CE1-CB 3.62Å; F22-V37 HydrophobicContact CE1-CG1 3.72Å; F22-V37 HydrophobicContact CE1-CG2 4.27Å; F22-V37 HydrophobicContact CE2-CB 4.21Å; F22-V37 HydrophobicContact CE2-CG2 4.07Å; F22-V37 HydrophobicContact CZ-CB 3.68Å; F22-V37 HydrophobicContact CZ-CG1 3.95Å; F22-V37 HydrophobicContact CZ-CG2 3.79Å; F22-V37 PolarHBondContact N-O 2.99Å; F22-V37 VanDerWaalsContact N-O 3.13Å; F22-V37 PolarHBondContact O-N 3.13Å; V37-M39 HydrophobicContact CG1-CG 4.3Å
38	F	47	Very low	40.3	Very low	18 Å²	18	71.2 Å²	71.2	8%	0.079	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	139.4	173.2	-61.8	-84.8	0	0	0	109.8	H20 Y21 F36 F53 F110	H20-F38 CarbonylContact O-C 3.54Å; Y21-F38 HydrophobicContact CD1-CD1 4.21Å; Y21-F38 HydrophobicContact CD1-CE1 4.01Å; Y21-F38 HydrophobicContact CD2-CE1 4.16Å; Y21-F38 AromaticContact CG-CD1 3.91Å; Y21-F38 HydrophobicContact CG-CD1 3.91Å; Y21-F38 AromaticContact CG-CE1 3.65Å; Y21-F38 HydrophobicContact CG-CE1 3.65Å; F36-F38 HydrophobicContact CB-CD2 4.26Å; F36-F38 HydrophobicContact CB-CE2 3.43Å; F36-F38 VanDerWaalsContact CB-CE2 3.43Å; F36-F38 HydrophobicContact CB-CZ 3.82Å; F36-F38 HydrophobicContact CG-CE2 4.48Å; F38-F53 HydrophobicContact CB-CE1 4.39Å; F38-F53 HydrophobicContact CD2-CD1 4.22Å; F38-F53 AromaticContact CD2-CE1 3.43Å; F38-F53 HydrophobicContact CD2-CE1 3.43Å; F38-F53 VanDerWaalsContact CD2-CE1 3.43Å; F38-F53 AromaticContact CD2-CE2 3.81Å; F38-F53 HydrophobicContact CD2-CE2 3.81Å; F38-F53 AromaticContact CD2-CZ 3.19Å; F38-F53 HydrophobicContact CD2-CZ 3.19Å; F38-F53 HydrophobicContact CE2-CE1 4.01Å; F38-F53 AromaticContact CE2-CE2 3.64Å; F38-F53 HydrophobicContact CE2-CE2 3.64Å; F38-F53 AromaticContact CE2-CZ 3.26Å; F38-F53 HydrophobicContact CE2-CZ 3.26Å; F38-F53 HydrophobicContact CG-CE1 4.15Å; F38-F53 HydrophobicContact CG-CZ 4.19Å; F38-F53 HydrophobicContact CZ-CZ 4.33Å; F38-F110 HydrophobicContact CB-CZ 4.36Å; F38-F110 HydrophobicContact CD1-CD1 4.13Å; F38-F110 AromaticContact CD1-CE1 3.12Å; F38-F110 HydrophobicContact CD1-CE1 3.12Å; F38-F110 AromaticContact CD1-CZ 3.52Å; F38-F110 HydrophobicContact CD1-CZ 3.52Å; F38-F110 HydrophobicContact CD2-CE1 4.13Å; F38-F110 AromaticContact CD2-CZ 3.81Å; F38-F110 HydrophobicContact CD2-CZ 3.81Å; F38-F110 AromaticContact CE1-CD1 3.5Å; F38-F110 HydrophobicContact CE1-CD1 3.5Å; F38-F110 AromaticContact CE1-CE1 2.94Å; F38-F110 HydrophobicContact CE1-CE1 2.94Å; F38-F110 AromaticContact CE1-CZ 3.67Å; F38-F110 HydrophobicContact CE1-CZ 3.67Å; F38-F110 HydrophobicContact CE2-CD1 4.48Å; F38-F110 AromaticContact CE2-CE1 3.95Å; F38-F110 HydrophobicContact CE2-CE1 3.95Å; F38-F110 AromaticContact CE2-CZ 3.9Å; F38-F110 HydrophobicContact CE2-CZ 3.9Å; F38-F110 AromaticContact CG-CE1 3.74Å; F38-F110 HydrophobicContact CG-CE1 3.74Å; F38-F110 AromaticContact CG-CZ 3.6Å; F38-F110 HydrophobicContact CG-CZ 3.6Å; F38-F110 AromaticContact CZ-CD1 3.69Å; F38-F110 HydrophobicContact CZ-CD1 3.69Å; F38-F110 AromaticContact CZ-CE1 3.38Å; F38-F110 HydrophobicContact CZ-CE1 3.38Å; F38-F110 HydrophobicContact CZ-CG 4.45Å; F38-F110 AromaticContact CZ-CZ 3.83Å; F38-F110 HydrophobicContact CZ-CZ 3.83Å
39	M	40.5	Very low	39.7	Very low	46 Å²	46	70.6 Å²	70.6	23%	0.227	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	107.7	178.2	-59.7	-174.8	-68.9	0	0	107.1	M1 Y19 H20 F22 V37 N41 F50	M1-M39 HydrophobicContact SD-CE 4.05Å; Y19-M39 CarbonylContact C-O 3.49Å; Y19-M39 VanDerWaalsContact CA-O 3.24Å; Y19-M39 WeakPolarHBondContact CA-O 3.24Å; H20-M39 HydrophobicContact CB-CB 4.35Å; H20-M39 HydrophobicContact CB-CE 3.84Å; H20-M39 PolarHBondContact N-O 2.79Å; H20-M39 WeakPolarHBondContact O-CB 3.01Å; H20-M39 PolarHBondContact O-N 3.34Å; F22-M39 HydrophobicContact CD1-CE 4.29Å; F22-M39 HydrophobicContact CE1-CE 4.17Å; V37-M39 HydrophobicContact CG1-CG 4.3Å; M39-N41 PolarHBondContact O-N 2.98Å; M39-F50 HydrophobicContact CB-CD1 4.24Å; M39-F50 HydrophobicContact CB-CE1 4.43Å; M39-F50 HydrophobicContact CG-CD1 4.22Å; M39-F50 HydrophobicContact SD-CE1 4.38Å
40	A	45.2	Very low	39.1	Very low	8 Å²	8	66.3 Å²	66.3	7%	0.066	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	128.2	168.4	0	0	0	0	0	108.4	Y19 P42	Y19-A40 HydrophobicContact CD1-CB 3.77Å; Y19-A40 HydrophobicContact CE1-CB 3.17Å; A40-P42 WeakPolarHBondContact O-CD 3.28Å
41	N	39	Very low	38.7	Very low	71 Å²	71	58.9 Å²	58.9	38%	0.38	33%	0.333	S	S	.	.			trans	-82.7	112.5	165.6	-162.9	-11.7	0	0	0	107.8	K18 M39 T43	K18-N41 HydrophobicContact CB-CB 4.25Å; K18-N41 PolarHBondContact O-N 2.96Å; M39-N41 PolarHBondContact O-N 2.98Å; N41-T43 VanDerWaalsContact C-N 3.28Å; N41-T43 PolarHBondContact O-N 3.11Å
42	P	41	Very low	38.5	Very low	55 Å²	55	61.9 Å²	61.9	36%	0.357	35%	0.354	S	S	.	.			trans	-75.9	80.1	-175.5	33.5	-37.1	0	0	0	109.4	A40 S44 P49	A40-P42 WeakPolarHBondContact O-CD 3.28Å; P42-S44 PolarHBondContact O-N 3.15Å; P42-P49 HydrophobicContact CG-CB 4.12Å
43	T	43.3	Very low	38.7	Very low	107 Å²	107	61.2 Å²	61.2	66%	0.656	35%	0.346	S	S	*	.	S	Bend	trans	-73.5	-15.2	167	50.6	0	0	0	0	111.5	N41	N41-T43 VanDerWaalsContact C-N 3.28Å; N41-T43 PolarHBondContact O-N 3.11Å
44	S	39.4	Very low	38.4	Very low	34 Å²	34	62.8 Å²	62.8	24%	0.238	36%	0.356	C	S	.	.	S	Bend	trans	-104.1	128.2	165.4	94.8	0	0	0	0	110.1	P42 T46 L47	P42-S44 PolarHBondContact O-N 3.15Å; S44-T46 PolarHBondContact O-N 2.83Å; S44-T46 PolarHBondContact OG-OG1 2.79Å; S44-L47 PolarHBondContact O-N 2.81Å; S44-L47 VanDerWaalsContact O-N 3.14Å; S44-L47 WeakPolarHBondContact OG-CD1 3.31Å; S44-L47 PolarHBondContact OG-N 3.39Å
45	T	35.8	Very low	38.6	Very low	152 Å²	152	62.7 Å²	62.7	93%	0.933	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-5.5	173.3	46.5	0	0	0	0	113.8
46	T	36.3	Very low	38.4	Very low	121 Å²	121	63.7 Å²	63.7	74%	0.742	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-13.6	-178.5	46.7	0	0	0	0	114.2	S44	S44-T46 PolarHBondContact O-N 2.83Å; S44-T46 PolarHBondContact OG-OG1 2.79Å
47	L	32.3	Very low	38.3	Very low	51 Å²	51	64.7 Å²	64.7	27%	0.267	37%	0.365	S	S	.	.	S	Bend	trans	-92.4	110.3	177.3	-96.8	145.9	0	0	0	109.2	S44	S44-L47 PolarHBondContact O-N 2.81Å; S44-L47 VanDerWaalsContact O-N 3.14Å; S44-L47 WeakPolarHBondContact OG-CD1 3.31Å; S44-L47 PolarHBondContact OG-N 3.39Å
48	N	30	Very low	38.1	Very low	146 Å²	146	65.7 Å²	65.7	78%	0.781	37%	0.369	S	S	*	.			trans	-48.6	122.7	178.7	-107.6	-28.7	0	0	0	110.1	F50	N48-F50 PolarHBondContact O-N 2.79Å
49	P	30.7	Very low	37.7	Very low	69 Å²	69	68.7 Å²	68.7	45%	0.448	40%	0.398	S	S	.	.	S	Bend	trans	-72.7	132.1	-172.5	31	-34.5	0	0	0	108.6	P42	P42-P49 HydrophobicContact CG-CB 4.12Å
50	F	29.7	Very low	37.7	Very low	133 Å²	133	70.6 Å²	70.6	58%	0.583	42%	0.416	S	S	*	.			trans	72.8	78.8	174.4	-47.7	-79.2	0	0	0	116.2	M39 N48 S52	M39-F50 HydrophobicContact CB-CD1 4.24Å; M39-F50 HydrophobicContact CB-CE1 4.43Å; M39-F50 HydrophobicContact CG-CD1 4.22Å; M39-F50 HydrophobicContact SD-CE1 4.38Å; N48-F50 PolarHBondContact O-N 2.79Å; F50-S52 PolarHBondContact O-N 2.87Å
51	M	35.6	Very low	37.1	Very low	48 Å²	48	75.2 Å²	75.2	24%	0.236	44%	0.439	C	S	.	.			trans	-84.1	96.5	153.4	-171.4	179.4	-67.7	0	0	108.9	L74 N106 L107	M51-L74 HydrophobicContact CE-CD1 4.46Å; M51-L74 HydrophobicContact CE-CD2 4.13Å; M51-L74 HydrophobicContact CG-CD2 4.32Å; M51-N106 WeakPolarHBondContact CE-O 3.22Å; M51-L107 HydrophobicContact CE-CD2 4.17Å; M51-L107 HydrophobicContact CE-CG 4.28Å; M51-L107 HydrophobicContact SD-CD2 3.48Å; M51-L107 WeakPolarHBondContact SD-CD2 3.44Å; M51-L107 HydrophobicContact SD-CG 4.22Å
52	S	34.6	Very low	36.7	Very low	80 Å²	80	77.3 Å²	77.3	56%	0.559	45%	0.45	S	S	*	.			trans	-93.8	123.6	165.3	63.5	0	0	0	0	108.5	F50	F50-S52 PolarHBondContact O-N 2.87Å
53	F	41.7	Very low	36	Very low	42 Å²	42	81.9 Å²	81.9	18%	0.184	47%	0.467	C	S	.	.			trans	-116.2	153.4	161.4	58.1	-88	0	0	0	107.3	F38 I55 L95 F110	F38-F53 HydrophobicContact CB-CE1 4.39Å; F38-F53 HydrophobicContact CD2-CD1 4.22Å; F38-F53 AromaticContact CD2-CE1 3.43Å; F38-F53 HydrophobicContact CD2-CE1 3.43Å; F38-F53 VanDerWaalsContact CD2-CE1 3.43Å; F38-F53 AromaticContact CD2-CE2 3.81Å; F38-F53 HydrophobicContact CD2-CE2 3.81Å; F38-F53 AromaticContact CD2-CZ 3.19Å; F38-F53 HydrophobicContact CD2-CZ 3.19Å; F38-F53 HydrophobicContact CE2-CE1 4.01Å; F38-F53 AromaticContact CE2-CE2 3.64Å; F38-F53 HydrophobicContact CE2-CE2 3.64Å; F38-F53 AromaticContact CE2-CZ 3.26Å; F38-F53 HydrophobicContact CE2-CZ 3.26Å; F38-F53 HydrophobicContact CG-CE1 4.15Å; F38-F53 HydrophobicContact CG-CZ 4.19Å; F38-F53 HydrophobicContact CZ-CZ 4.33Å; F53-I55 HydrophobicContact CD2-CD1 4.26Å; F53-I55 HydrophobicContact CD2-CG1 4.04Å; F53-I55 HydrophobicContact CE2-CD1 3.72Å; F53-I55 HydrophobicContact CE2-CG1 4.03Å; F53-L95 HydrophobicContact CE2-CD2 4.43Å; F53-L95 HydrophobicContact CZ-CD2 4.26Å; F53-F110 AromaticContact CE1-CE2 3.8Å; F53-F110 HydrophobicContact CE1-CE2 3.8Å; F53-F110 AromaticContact CE1-CZ 3.91Å; F53-F110 HydrophobicContact CE1-CZ 3.91Å; F53-F110 HydrophobicContact CZ-CD2 4.31Å; F53-F110 AromaticContact CZ-CE2 3.48Å; F53-F110 HydrophobicContact CZ-CE2 3.48Å; F53-F110 VanDerWaalsContact CZ-CE2 3.48Å; F53-F110 AromaticContact CZ-CZ 3.76Å; F53-F110 HydrophobicContact CZ-CZ 3.76Å
54	V	35.6	Very low	35.2	Very low	42 Å²	42	79.2 Å²	79.2	26%	0.255	46%	0.455	S	S	.	.			trans	-111.7	126.9	174.1	164.4	0	0	0	0	106.7	F35 L82 I83	F35-V54 HydrophobicContact CB-CG1 4.43Å; F35-V54 HydrophobicContact CD1-CB 4.09Å; F35-V54 HydrophobicContact CD1-CG1 3.08Å; F35-V54 HydrophobicContact CD1-CG2 3.88Å; F35-V54 HydrophobicContact CE1-CG1 3.45Å; F35-V54 VanDerWaalsContact CE1-CG1 3.45Å; F35-V54 HydrophobicContact CG-CG1 4.06Å; V54-L82 HydrophobicContact CB-CD2 3.43Å; V54-L82 VanDerWaalsContact CB-CD2 3.43Å; V54-L82 HydrophobicContact CG1-CD2 3.13Å; V54-L82 HydrophobicContact CG2-CD2 4.43Å; V54-I83 PolarHBondContact O-N 2.89Å
55	I	43.6	Very low	34.4	Very low	4 Å²	4	86.2 Å²	86.2	2%	0.021	48%	0.482	C	S	.	.	B	Isolated β-bridge	trans	-91.6	130	161.4	-67	164.5	0	0	0	106.4	F35 F36 F53 E57 I83 F85 L95	F35-I55 WeakPolarHBondContact CA-O 3.44Å; F36-I55 HydrophobicContact CD2-CB 4.19Å; F36-I55 HydrophobicContact CD2-CD1 3.91Å; F53-I55 HydrophobicContact CD2-CD1 4.26Å; F53-I55 HydrophobicContact CD2-CG1 4.04Å; F53-I55 HydrophobicContact CE2-CD1 3.72Å; F53-I55 HydrophobicContact CE2-CG1 4.03Å; I55-E57 HydrophobicContact CG2-CG 3.82Å; I55-I83 CarbonylContact C-O 3.38Å; I55-I83 WeakPolarHBondContact CA-O 3.3Å; I55-I83 WeakPolarHBondContact CG2-O 3.34Å; I55-F85 HydrophobicContact CB-CD2 4.38Å; I55-F85 HydrophobicContact CD1-CD2 3.88Å; I55-F85 HydrophobicContact CD1-CE2 3.54Å; I55-F85 HydrophobicContact CG1-CD2 4.03Å; I55-F85 HydrophobicContact CG1-CE2 3.75Å; I55-F85 HydrophobicContact CG2-CD2 3.44Å; I55-F85 VanDerWaalsContact CG2-CD2 3.44Å; I55-F85 HydrophobicContact CG2-CE2 4.06Å; I55-F85 HydrophobicContact CG2-CG 4.36Å; I55-L95 HydrophobicContact CD1-CD1 4.3Å
56	E	38	Very low	33.9	Very low	65 Å²	65	85.6 Å²	85.6	30%	0.304	47%	0.472	S	S	.	.			trans	-112.5	91.6	174.3	170.2	166.4	-159.8	0	0	108.2	I33 D58 L82 I83 S84	I33-E56 HydrophobicContact CD1-CG 3.96Å; I33-E56 WeakPolarHBondContact CD1-OE1 3.45Å; I33-E56 HydrophobicContact CG1-CG 4.11Å; I33-E56 HydrophobicContact CG2-CB 3.98Å; I33-E56 HydrophobicContact CG2-CG 3.66Å; E56-D58 PolarHBondContact O-N 3.41Å; E56-L82 HydrophobicContact CB-CB 4.43Å; E56-L82 WeakPolarHBondContact OE2-CD1 3.32Å; E56-I83 PolarHBondContact N-O 2.8Å; E56-S84 WeakPolarHBondContact O-CA 3.48Å; E56-S84 WeakPolarHBondContact O-CB 3.41Å; E56-S84 PolarHBondContact O-OG 3.44Å
57	E	41.8	Very low	33.3	Very low	38 Å²	38	85.2 Å²	85.2	18%	0.178	47%	0.472	C	S	.	.			trans	-76.1	118.1	175.8	-59	-164	153.8	0	0	110.9	I55 F85	I55-E57 HydrophobicContact CG2-CG 3.82Å; E57-F85 VanDerWaalsContact CB-O 3.22Å; E57-F85 WeakPolarHBondContact CB-O 3.18Å; E57-F85 HydrophobicContact CG-CB 4.22Å; E57-F85 WeakPolarHBondContact CG-O 3.43Å
58	D	38.5	Very low	32.9	Very low	49 Å²	49	89.5 Å²	89.5	26%	0.262	49%	0.489	S	S	.	.			trans	-91.5	104.1	162.5	-173.7	-2.9	0	0	0	108.4	S31 E56 S60 N61 S84	S31-D58 WeakPolarHBondContact CB-OD1 3.35Å; S31-D58 PolarHBondContact OG-OD1 2.89Å; E56-D58 PolarHBondContact O-N 3.41Å; D58-S60 PolarHBondContact O-N 3.46Å; D58-S60 WeakPolarHBondContact OD1-CB 3.49Å; D58-S60 PolarHBondContact OD1-N 3.32Å; D58-S60 PolarHBondContact OD1-OG 3.48Å; D58-S60 PolarHBondContact OD2-OG 2.85Å; D58-N61 PolarHBondContact O-N 3.41Å; D58-S84 PolarHBondContact N-OG 3.39Å
59	A	39.5	Very low	32.7	Very low	82 Å²	82	86 Å²	86	68%	0.678	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-11.6	-179.5	0	0	0	0	0	114.1
60	S	39.9	Very low	32.5	Very low	86 Å²	86	87.6 Å²	87.6	60%	0.601	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-13.4	-175.3	71.6	0	0	0	0	115.3	D58	D58-S60 PolarHBondContact O-N 3.46Å; D58-S60 WeakPolarHBondContact OD1-CB 3.49Å; D58-S60 PolarHBondContact OD1-N 3.32Å; D58-S60 PolarHBondContact OD1-OG 3.48Å; D58-S60 PolarHBondContact OD2-OG 2.85Å
61	N	33.1	Very low	32.2	Very low	105 Å²	105	87.8 Å²	87.8	56%	0.561	50%	0.496	S	S	*	.			trans	-118.1	112.3	-175	-114.6	-20.7	0	0	0	110.7	D58 E63 S86	D58-N61 PolarHBondContact O-N 3.41Å; N61-E63 PolarHBondContact O-N 3.35Å; N61-S86 WeakPolarHBondContact O-CB 3.24Å
62	D	31.1	Very low	31.7	Very low	115 Å²	115	88.3 Å²	88.3	62%	0.615	50%	0.503	S	S	*	.	S	Bend	trans	-70.4	-14.9	-178.5	-96	-41	0	0	0	113.4	S86	D62-S86 PolarHBondContact O-OG 3.14Å
63	E	26.5	Very low	31.2	Very low	151 Å²	151	90.7 Å²	90.7	71%	0.706	51%	0.51	S	S	*	.			trans	-110.5	95.9	-175.3	-61.5	-168.4	170.9	0	0	111.8	N61	N61-E63 PolarHBondContact O-N 3.35Å
64	A	26.1	Very low	30.6	Very low	50 Å²	50	94 Å²	94	41%	0.413	53%	0.529	S	S	.	.			trans	-81.1	121	169.8	0	0	0	0	0	110.4	S84	A64-S84 VanDerWaalsContact CB-O 3.24Å; A64-S84 WeakPolarHBondContact CB-O 3.24Å
65	F	22.5	Very low	30	Very low	181 Å²	181	100.4 Å²	100.4	79%	0.794	56%	0.56	S	S	*	*			trans	-76.9	138.2	177.8	-80.8	-96.5	0	0	0	112.2
66	L	24.6	Very low	29.1	Very low	139 Å²	139	104.9 Å²	104.9	73%	0.728	59%	0.588	S	S	*	*			trans	-107.9	109.1	169.6	-72.7	169.7	0	0	0	110.2	F68	L66-F68 HydrophobicContact CD2-CD2 4.08Å; L66-F68 HydrophobicContact CD2-CE2 3.63Å; L66-F68 HydrophobicContact CD2-CZ 4.42Å
67	P	23.3	Very low	28.5	Very low	113 Å²	113	105.7 Å²	105.7	73%	0.734	60%	0.6	S	S	*	*			trans	-113.4	90.4	151.7	30.5	-19.7	0	0	0	109	S69	P67-S69 PolarHBondContact O-N 3.42Å
68	F	25.5	Very low	27.7	Very low	142 Å²	142	107 Å²	107	62%	0.623	61%	0.613	S	S	*	*			trans	-67.9	114	166.3	-86.7	-74.3	0	0	0	109.1	L66 F98	L66-F68 HydrophobicContact CD2-CD2 4.08Å; L66-F68 HydrophobicContact CD2-CE2 3.63Å; L66-F68 HydrophobicContact CD2-CZ 4.42Å; F68-F98 HydrophobicContact CD1-CE2 4.44Å; F68-F98 AromaticContact CE1-CD2 3.72Å; F68-F98 HydrophobicContact CE1-CD2 3.72Å; F68-F98 AromaticContact CE1-CE2 3.42Å; F68-F98 HydrophobicContact CE1-CE2 3.42Å; F68-F98 VanDerWaalsContact CE1-CE2 3.42Å; F68-F98 HydrophobicContact CE1-CZ 4.43Å; F68-F98 AromaticContact CZ-CD2 3.72Å; F68-F98 HydrophobicContact CZ-CD2 3.72Å; F68-F98 AromaticContact CZ-CE2 3.93Å; F68-F98 HydrophobicContact CZ-CE2 3.93Å
69	S	24.7	Very low	27.1	Very low	71 Å²	71	115.4 Å²	115.4	50%	0.497	64%	0.642	S	S	.	*			trans	-93	125.7	155.8	91.5	0	0	0	0	108	P67 N71	P67-S69 PolarHBondContact O-N 3.42Å; S69-N71 PolarHBondContact O-N 2.97Å
70	S	27.4	Very low	26.4	Very low	104 Å²	104	118.1 Å²	118.1	73%	0.727	64%	0.644	S	S	*	*	S	Bend	trans	-66.8	8.3	179.7	51	0	0	0	0	114.5
71	N	22.7	Very low	25.9	Very low	137 Å²	137	116.9 Å²	116.9	73%	0.733	63%	0.631	S	S	*	*			trans	-117.8	34.8	-171.2	-75.3	-8.9	0	0	0	113.4	S69 N73	S69-N71 PolarHBondContact O-N 2.97Å; N71-N73 PolarHBondContact O-N 3.17Å; N71-N73 VanDerWaalsContact O-N 3.08Å
72	C	24.4	Very low	25.8	Very low	58 Å²	58	115 Å²	115	39%	0.392	62%	0.621	S	S	.	*			trans	-80.4	93	178.6	-150.6	0	0	0	0	111.1	N81	C72-N81 PolarHBondContact SG-ND2 3.06Å
73	N	24.3	Very low	26.1	Very low	131 Å²	131	112.7 Å²	112.7	70%	0.701	61%	0.608	S	S	*	*			trans	-80.8	122.4	164	-90.5	-28.1	0	0	0	109.3	N71 L75 T76	N71-N73 PolarHBondContact O-N 3.17Å; N71-N73 VanDerWaalsContact O-N 3.08Å; N73-L75 PolarHBondContact O-N 2.9Å; N73-T76 PolarHBondContact O-N 3.08Å; N73-T76 PolarHBondContact O-OG1 3Å
74	L	29.9	Very low	26.2	Very low	111 Å²	111	107.4 Å²	107.4	58%	0.581	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-54.3	-21.9	-164.7	-112.6	91.5	0	0	0	116.9	M51 T76	M51-L74 HydrophobicContact CE-CD1 4.46Å; M51-L74 HydrophobicContact CE-CD2 4.13Å; M51-L74 HydrophobicContact CG-CD2 4.32Å; L74-T76 VanDerWaalsContact C-N 3.32Å
75	L	23.2	Very low	26.5	Very low	176 Å²	176	105.8 Å²	105.8	92%	0.921	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-83.7	-9.8	-180	-72.9	166.6	0	0	0	113.3	N73	N73-L75 PolarHBondContact O-N 2.9Å
76	T	23.9	Very low	26.9	Very low	99 Å²	99	98.5 Å²	98.5	61%	0.607	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-125.5	52.1	-179.7	56	0	0	0	0	110.6	N73 L74 S78	N73-T76 PolarHBondContact O-N 3.08Å; N73-T76 PolarHBondContact O-OG1 3Å; L74-T76 VanDerWaalsContact C-N 3.32Å; T76-S78 PolarHBondContact O-N 2.96Å
77	C	25.3	Very low	27.3	Very low	82 Å²	82	96.6 Å²	96.6	55%	0.554	53%	0.528	S	S	*	.			trans	-70.4	79.8	158.9	-79.8	0	0	0	0	108.1
78	S	25.9	Very low	27.8	Very low	65 Å²	65	94.9 Å²	94.9	46%	0.455	52%	0.517	S	S	.	.			trans	-56.7	153	163.3	72.9	0	0	0	0	108.4	T76 N80 N81	T76-S78 PolarHBondContact O-N 2.96Å; S78-N80 PolarHBondContact O-N 3.04Å; S78-N81 PolarHBondContact O-N 2.85Å
79	R	25	Very low	28.2	Very low	226 Å²	226	91.7 Å²	91.7	85%	0.853	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-44	-18.9	176.9	-85	179.9	173.1	166.9	-1.9	114.8	N81 L82	R79-N81 PolarHBondContact O-N 2.98Å; R79-L82 HydrophobicContact CB-CD1 4.47Å; R79-L82 VanDerWaalsContact O-CD1 3.31Å; R79-L82 WeakPolarHBondContact O-CD1 3.31Å
80	N	25.5	Very low	28.7	Very low	138 Å²	138	95.2 Å²	95.2	74%	0.738	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-71.2	-7.9	178.6	-61	-9.2	0	0	0	114.5	S78	S78-N80 PolarHBondContact O-N 3.04Å
81	N	28.8	Very low	29.1	Very low	60 Å²	60	90.8 Å²	90.8	32%	0.321	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-109.2	20.8	-179.2	-64	-20.3	0	0	0	113.6	C72 S78 R79	C72-N81 PolarHBondContact SG-ND2 3.06Å; S78-N81 PolarHBondContact O-N 2.85Å; R79-N81 PolarHBondContact O-N 2.98Å
82	L	32	Very low	29.7	Very low	65 Å²	65	90.7 Å²	90.7	34%	0.34	47%	0.474	S	S	.	.			trans	-70.4	125.6	170.8	-73.3	160.6	0	0	0	109.2	V54 E56 R79	V54-L82 HydrophobicContact CB-CD2 3.43Å; V54-L82 VanDerWaalsContact CB-CD2 3.43Å; V54-L82 HydrophobicContact CG1-CD2 3.13Å; V54-L82 HydrophobicContact CG2-CD2 4.43Å; E56-L82 HydrophobicContact CB-CB 4.43Å; E56-L82 WeakPolarHBondContact OE2-CD1 3.32Å; R79-L82 HydrophobicContact CB-CD1 4.47Å; R79-L82 VanDerWaalsContact O-CD1 3.31Å; R79-L82 WeakPolarHBondContact O-CD1 3.31Å
83	I	35.8	Very low	30.3	Very low	68 Å²	68	92.3 Å²	92.3	35%	0.349	48%	0.479	S	S	.	.	B	Isolated β-bridge	trans	-95.5	115.6	-179.6	-59	176.4	0	0	0	108.2	V54 I55 E56 F85	V54-I83 PolarHBondContact O-N 2.89Å; I55-I83 CarbonylContact C-O 3.38Å; I55-I83 WeakPolarHBondContact CA-O 3.3Å; I55-I83 WeakPolarHBondContact CG2-O 3.34Å; E56-I83 PolarHBondContact N-O 2.8Å; I83-F85 HydrophobicContact CG2-CD1 4.42Å; I83-F85 HydrophobicContact CG2-CD2 4.37Å; I83-F85 HydrophobicContact CG2-CE1 3.76Å; I83-F85 HydrophobicContact CG2-CE2 3.71Å; I83-F85 HydrophobicContact CG2-CZ 3.38Å
84	S	30.4	Very low	31	Very low	39 Å²	39	88.7 Å²	88.7	27%	0.273	46%	0.464	S	S	.	.			trans	-92.3	135	173.4	-168.3	0	0	0	0	111.3	E56 D58 A64	E56-S84 WeakPolarHBondContact O-CA 3.48Å; E56-S84 WeakPolarHBondContact O-CB 3.41Å; E56-S84 PolarHBondContact O-OG 3.44Å; D58-S84 PolarHBondContact N-OG 3.39Å; A64-S84 VanDerWaalsContact CB-O 3.24Å; A64-S84 WeakPolarHBondContact CB-O 3.24Å
85	F	30.8	Very low	31.4	Very low	17 Å²	17	84.9 Å²	84.9	8%	0.075	44%	0.444	C	S	.	.			trans	-115.9	134.2	167.3	-63.6	-61	0	0	0	110.1	I55 E57 I83 A91 S94 L95	I55-F85 HydrophobicContact CB-CD2 4.38Å; I55-F85 HydrophobicContact CD1-CD2 3.88Å; I55-F85 HydrophobicContact CD1-CE2 3.54Å; I55-F85 HydrophobicContact CG1-CD2 4.03Å; I55-F85 HydrophobicContact CG1-CE2 3.75Å; I55-F85 HydrophobicContact CG2-CD2 3.44Å; I55-F85 VanDerWaalsContact CG2-CD2 3.44Å; I55-F85 HydrophobicContact CG2-CE2 4.06Å; I55-F85 HydrophobicContact CG2-CG 4.36Å; E57-F85 VanDerWaalsContact CB-O 3.22Å; E57-F85 WeakPolarHBondContact CB-O 3.18Å; E57-F85 HydrophobicContact CG-CB 4.22Å; E57-F85 WeakPolarHBondContact CG-O 3.43Å; I83-F85 HydrophobicContact CG2-CD1 4.42Å; I83-F85 HydrophobicContact CG2-CD2 4.37Å; I83-F85 HydrophobicContact CG2-CE1 3.76Å; I83-F85 HydrophobicContact CG2-CE2 3.71Å; I83-F85 HydrophobicContact CG2-CZ 3.38Å; F85-A91 HydrophobicContact CB-CB 3.91Å; F85-A91 HydrophobicContact CD1-CB 4.06Å; F85-A91 HydrophobicContact CD2-CB 3.24Å; F85-A91 HydrophobicContact CE1-CB 4.42Å; F85-A91 HydrophobicContact CE2-CB 3.68Å; F85-A91 HydrophobicContact CG-CB 3.46Å; F85-A91 VanDerWaalsContact CG-CB 3.46Å; F85-A91 HydrophobicContact CZ-CB 4.25Å; F85-S94 VanDerWaalsContact CE1-CB 3.4Å; F85-L95 HydrophobicContact CE2-CD1 4.26Å
86	S	31.8	Very low	32	Very low	27 Å²	27	78.4 Å²	78.4	19%	0.189	42%	0.416	C	S	.	.	S	Bend	trans	-86	-16.9	175.7	56.1	0	0	0	0	112.9	N61 D62	N61-S86 WeakPolarHBondContact O-CB 3.24Å; D62-S86 PolarHBondContact O-OG 3.14Å
87	K	32.1	Very low	32.5	Very low	100 Å²	100	76.7 Å²	76.7	44%	0.435	41%	0.408	S	S	.	.	S	Bend	trans	-145.4	137.9	177.1	-65.5	-177	-177.7	170.9	0	111.4	S89 R90 A91	K87-S89 PolarHBondContact O-N 3.06Å; K87-R90 PolarHBondContact O-N 3.16Å; K87-A91 PolarHBondContact O-N 3.26Å; K87-A91 VanDerWaalsContact O-N 3.14Å
88	P	33.6	Very low	32.9	Very low	76 Å²	76	75.6 Å²	75.6	49%	0.494	39%	0.394	S	S	.	.	H	α-helix	trans	-56	-34.7	176.3	-26.3	33.2	0	0	0	113.8	R90 A91 R92	P88-R90 VanDerWaalsContact C-N 3.3Å; P88-R90 PolarHBondContact O-N 3.44Å; P88-A91 WeakPolarHBondContact O-CB 3.33Å; P88-A91 PolarHBondContact O-N 3.49Å; P88-R92 PolarHBondContact O-N 2.9Å
89	S	35.6	Very low	33.3	Very low	75 Å²	75	74 Å²	74	52%	0.524	39%	0.385	S	S	.	.	H	α-helix	trans	-66	-31.7	177.6	56.8	0	0	0	0	112.9	K87 R92 D93	K87-S89 PolarHBondContact O-N 3.06Å; S89-R92 WeakPolarHBondContact O-CB 3.09Å; S89-D93 PolarHBondContact O-N 3.45Å
90	R	34.4	Very low	33.6	Very low	145 Å²	145	67.9 Å²	67.9	55%	0.547	37%	0.372	S	S	.	.	H	α-helix	trans	-83.2	-28.4	178.2	-74	-172.5	165.8	-177.3	-4.5	112.8	K87 P88 R92 D93 S94	K87-R90 PolarHBondContact O-N 3.16Å; P88-R90 VanDerWaalsContact C-N 3.3Å; P88-R90 PolarHBondContact O-N 3.44Å; R90-R92 PolarHBondContact O-N 3.45Å; R90-D93 PolarHBondContact O-N 2.97Å; R90-S94 VanDerWaalsContact O-CB 3.28Å; R90-S94 WeakPolarHBondContact O-CB 3.33Å; R90-S94 PolarHBondContact O-N 3.36Å; R90-S94 PolarHBondContact O-OG 3.06Å
91	A	36.2	Very low	33.9	Very low	12 Å²	12	68.1 Å²	68.1	10%	0.099	37%	0.374	C	S	.	.	H	α-helix	trans	-54.4	-48.6	167.6	0	0	0	0	0	109.8	F85 K87 P88 D93 S94 L95	F85-A91 HydrophobicContact CB-CB 3.91Å; F85-A91 HydrophobicContact CD1-CB 4.06Å; F85-A91 HydrophobicContact CD2-CB 3.24Å; F85-A91 HydrophobicContact CE1-CB 4.42Å; F85-A91 HydrophobicContact CE2-CB 3.68Å; F85-A91 HydrophobicContact CG-CB 3.46Å; F85-A91 VanDerWaalsContact CG-CB 3.46Å; F85-A91 HydrophobicContact CZ-CB 4.25Å; K87-A91 PolarHBondContact O-N 3.26Å; K87-A91 VanDerWaalsContact O-N 3.14Å; P88-A91 WeakPolarHBondContact O-CB 3.33Å; P88-A91 PolarHBondContact O-N 3.49Å; A91-D93 PolarHBondContact O-N 3.33Å; A91-S94 PolarHBondContact O-N 3.13Å; A91-L95 VanDerWaalsContact O-CB 3.22Å; A91-L95 WeakPolarHBondContact O-CB 2.81Å; A91-L95 VanDerWaalsContact O-CD1 3.31Å; A91-L95 WeakPolarHBondContact O-CD1 3.45Å; A91-L95 WeakPolarHBondContact O-CG 3.24Å; A91-L95 PolarHBondContact O-N 3.17Å
92	R	35	Very low	33.9	Very low	134 Å²	134	66.1 Å²	66.1	51%	0.506	37%	0.367	S	S	.	.	H	α-helix	trans	-54.8	-53.1	176	-175.8	-174	118.2	158.9	6.8	112.7	P88 S89 R90 L95 A96	P88-R92 PolarHBondContact O-N 2.9Å; S89-R92 WeakPolarHBondContact O-CB 3.09Å; R90-R92 PolarHBondContact O-N 3.45Å; R92-L95 PolarHBondContact O-N 2.59Å; R92-A96 WeakPolarHBondContact O-CB 3.31Å; R92-A96 PolarHBondContact O-N 3.21Å
93	D	37.8	Very low	33.9	Very low	92 Å²	92	68.7 Å²	68.7	49%	0.492	38%	0.381	S	S	.	.	H	α-helix	trans	-69.8	-35.8	-175.9	-66.5	-17.8	0	0	0	112.1	S89 R90 A91 A96 S97	S89-D93 PolarHBondContact O-N 3.45Å; R90-D93 PolarHBondContact O-N 2.97Å; A91-D93 PolarHBondContact O-N 3.33Å; D93-A96 PolarHBondContact O-N 2.84Å; D93-S97 VanDerWaalsContact O-CB 3.3Å; D93-S97 WeakPolarHBondContact O-CB 3.41Å; D93-S97 PolarHBondContact O-N 3.45Å
94	S	38.1	Very low	33.7	Very low	56 Å²	56	69.7 Å²	69.7	39%	0.392	39%	0.394	S	S	.	.	H	α-helix	trans	-70.8	-39.1	177.1	-54.5	0	0	0	0	111.5	F85 R90 A91 S97 F98	F85-S94 VanDerWaalsContact CE1-CB 3.4Å; R90-S94 VanDerWaalsContact O-CB 3.28Å; R90-S94 WeakPolarHBondContact O-CB 3.33Å; R90-S94 PolarHBondContact O-N 3.36Å; R90-S94 PolarHBondContact O-OG 3.06Å; A91-S94 PolarHBondContact O-N 3.13Å; S94-S97 PolarHBondContact O-N 2.86Å; S94-F98 VanDerWaalsContact O-CB 3.24Å; S94-F98 WeakPolarHBondContact O-CB 3.38Å; S94-F98 PolarHBondContact O-N 2.93Å
95	L	38.2	Very low	33.5	Very low	30 Å²	30	73.2 Å²	73.2	16%	0.157	42%	0.419	C	S	.	.	H	α-helix	trans	-63.5	-42.1	171.7	-85.5	149.1	0	0	0	111.1	F53 I55 F85 A91 R92 F98 A99 F110	F53-L95 HydrophobicContact CE2-CD2 4.43Å; F53-L95 HydrophobicContact CZ-CD2 4.26Å; I55-L95 HydrophobicContact CD1-CD1 4.3Å; F85-L95 HydrophobicContact CE2-CD1 4.26Å; A91-L95 VanDerWaalsContact O-CB 3.22Å; A91-L95 WeakPolarHBondContact O-CB 2.81Å; A91-L95 VanDerWaalsContact O-CD1 3.31Å; A91-L95 WeakPolarHBondContact O-CD1 3.45Å; A91-L95 WeakPolarHBondContact O-CG 3.24Å; A91-L95 PolarHBondContact O-N 3.17Å; R92-L95 PolarHBondContact O-N 2.59Å; L95-F98 PolarHBondContact O-N 3.46Å; L95-A99 PolarHBondContact O-N 3.2Å; L95-F110 HydrophobicContact CD1-CD2 4.46Å; L95-F110 HydrophobicContact CD2-CD2 3.7Å; L95-F110 HydrophobicContact CD2-CE2 4.13Å
96	A	35.5	Very low	33.4	Very low	40 Å²	40	76.4 Å²	76.4	33%	0.331	44%	0.436	S	S	.	.	H	α-helix	trans	-67	-40.5	176	0	0	0	0	0	112.6	R92 D93 F98 A99 T100	R92-A96 WeakPolarHBondContact O-CB 3.31Å; R92-A96 PolarHBondContact O-N 3.21Å; D93-A96 PolarHBondContact O-N 2.84Å; A96-F98 VanDerWaalsContact C-N 3.3Å; A96-F98 PolarHBondContact O-N 2.74Å; A96-A99 PolarHBondContact O-N 3.02Å; A96-T100 PolarHBondContact O-N 2.79Å; A96-T100 VanDerWaalsContact O-N 3.17Å; A96-T100 PolarHBondContact O-OG1 3.3Å
97	S	35.8	Very low	33.2	Very low	63 Å²	63	77.5 Å²	77.5	44%	0.441	44%	0.44	S	S	.	.	H	α-helix	trans	-66.5	-32.8	174.3	-178.5	0	0	0	0	111.9	D93 S94 T100 N101	D93-S97 VanDerWaalsContact O-CB 3.3Å; D93-S97 WeakPolarHBondContact O-CB 3.41Å; D93-S97 PolarHBondContact O-N 3.45Å; S94-S97 PolarHBondContact O-N 2.86Å; S97-T100 VanDerWaalsContact CA-OG1 3.31Å; S97-T100 WeakPolarHBondContact CA-OG1 3.49Å; S97-T100 PolarHBondContact O-OG1 3.14Å; S97-T100 VanDerWaalsContact O-OG1 3.06Å; S97-N101 PolarHBondContact O-N 2.86Å; S97-N101 VanDerWaalsContact O-N 3.16Å
98	F	33.5	Very low	33.1	Very low	59 Å²	59	74 Å²	74	26%	0.259	43%	0.426	S	S	.	.	H	α-helix	trans	-71	-43.5	176.6	-170.5	-119	0	0	0	111.1	F68 S94 L95 A96 T100 N101 G102 L107	F68-F98 HydrophobicContact CD1-CE2 4.44Å; F68-F98 AromaticContact CE1-CD2 3.72Å; F68-F98 HydrophobicContact CE1-CD2 3.72Å; F68-F98 AromaticContact CE1-CE2 3.42Å; F68-F98 HydrophobicContact CE1-CE2 3.42Å; F68-F98 VanDerWaalsContact CE1-CE2 3.42Å; F68-F98 HydrophobicContact CE1-CZ 4.43Å; F68-F98 AromaticContact CZ-CD2 3.72Å; F68-F98 HydrophobicContact CZ-CD2 3.72Å; F68-F98 AromaticContact CZ-CE2 3.93Å; F68-F98 HydrophobicContact CZ-CE2 3.93Å; S94-F98 VanDerWaalsContact O-CB 3.24Å; S94-F98 WeakPolarHBondContact O-CB 3.38Å; S94-F98 PolarHBondContact O-N 2.93Å; L95-F98 PolarHBondContact O-N 3.46Å; A96-F98 VanDerWaalsContact C-N 3.3Å; A96-F98 PolarHBondContact O-N 2.74Å; F98-T100 PolarHBondContact O-N 2.93Å; F98-N101 PolarHBondContact O-N 2.85Å; F98-G102 PolarHBondContact O-N 3.05Å; F98-L107 HydrophobicContact CD1-CB 4.41Å; F98-L107 HydrophobicContact CD1-CD1 4.1Å; F98-L107 HydrophobicContact CD1-CD2 4.14Å; F98-L107 HydrophobicContact CD1-CG 4.43Å; F98-L107 HydrophobicContact CE1-CB 4.33Å; F98-L107 HydrophobicContact CE1-CD1 3.29Å; F98-L107 HydrophobicContact CE1-CD2 3.58Å; F98-L107 HydrophobicContact CE1-CG 3.88Å; F98-L107 HydrophobicContact CZ-CD1 3.73Å
99	A	33.1	Very low	32.7	Very low	32 Å²	32	76.9 Å²	76.9	26%	0.264	43%	0.431	S	S	.	.	H	α-helix	trans	-60.9	-28.8	174.8	0	0	0	0	0	113.3	L95 A96	L95-A99 PolarHBondContact O-N 3.2Å; A96-A99 PolarHBondContact O-N 3.02Å
100	T	31.1	Very low	32.3	Very low	97 Å²	97	74.6 Å²	74.6	60%	0.595	41%	0.411	S	S	*	.	H	α-helix	trans	-86.3	-36.3	-179.6	39.1	0	0	0	0	113.8	A96 S97 F98	A96-T100 PolarHBondContact O-N 2.79Å; A96-T100 VanDerWaalsContact O-N 3.17Å; A96-T100 PolarHBondContact O-OG1 3.3Å; S97-T100 VanDerWaalsContact CA-OG1 3.31Å; S97-T100 WeakPolarHBondContact CA-OG1 3.49Å; S97-T100 PolarHBondContact O-OG1 3.14Å; S97-T100 VanDerWaalsContact O-OG1 3.06Å; F98-T100 PolarHBondContact O-N 2.93Å
101	N	31.4	Very low	31.8	Very low	143 Å²	143	71.1 Å²	71.1	77%	0.765	41%	0.406	S	S	*	.	H	α-helix	trans	-112.3	-5.8	-169.8	-71.8	-30.3	0	0	0	115.7	S97 F98	S97-N101 PolarHBondContact O-N 2.86Å; S97-N101 VanDerWaalsContact O-N 3.16Å; F98-N101 PolarHBondContact O-N 2.85Å
102	G	29.7	Very low	31.3	Very low	18 Å²	18	73.4 Å²	73.4	19%	0.186	42%	0.419	C	S	.	.	S	Bend	trans	-131.2	107.2	-171.1	0	0	0	0	0	114.3	F98	F98-G102 PolarHBondContact O-N 3.05Å
103	L	31.3	Very low	30.8	Very low	120 Å²	120	72.7 Å²	72.7	63%	0.628	43%	0.425	S	S	*	.	S	Bend	trans	64.7	94.4	148.7	-61.7	158.8	0	0	0	116.4
104	S	31.9	Very low	30.1	Very low	89 Å²	89	74.9 Å²	74.9	62%	0.622	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	80.1	148.1	62.7	0	0	0	0	115.9	N106	S104-N106 WeakPolarHBondContact O-CB 3.4Å; S104-N106 PolarHBondContact O-N 3.3Å
105	S	27.7	Very low	29.5	Very low	113 Å²	113	76.4 Å²	76.4	79%	0.79	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	-0.3	148.3	58	0	0	0	0	120.9
106	N	27	Very low	28.7	Very low	84 Å²	84	83.1 Å²	83.1	45%	0.449	46%	0.464	S	S	.	.			trans	-120.7	6.9	-165.2	-68.2	-16.3	0	0	0	112	M51 S104	M51-N106 WeakPolarHBondContact CE-O 3.22Å; S104-N106 WeakPolarHBondContact O-CB 3.4Å; S104-N106 PolarHBondContact O-N 3.3Å
107	L	28.5	Very low	28.2	Very low	50 Å²	50	87.8 Å²	87.8	26%	0.262	48%	0.481	S	S	.	.	S	Bend	trans	-118.8	114	-178.5	-82	154.6	0	0	0	108.9	M51 F98	M51-L107 HydrophobicContact CE-CD2 4.17Å; M51-L107 HydrophobicContact CE-CG 4.28Å; M51-L107 HydrophobicContact SD-CD2 3.48Å; M51-L107 WeakPolarHBondContact SD-CD2 3.44Å; M51-L107 HydrophobicContact SD-CG 4.22Å; F98-L107 HydrophobicContact CD1-CB 4.41Å; F98-L107 HydrophobicContact CD1-CD1 4.1Å; F98-L107 HydrophobicContact CD1-CD2 4.14Å; F98-L107 HydrophobicContact CD1-CG 4.43Å; F98-L107 HydrophobicContact CE1-CB 4.33Å; F98-L107 HydrophobicContact CE1-CD1 3.29Å; F98-L107 HydrophobicContact CE1-CD2 3.58Å; F98-L107 HydrophobicContact CE1-CG 3.88Å; F98-L107 HydrophobicContact CZ-CD1 3.73Å
108	L	29.5	Very low	27.5	Very low	27 Å²	27	92.7 Å²	92.7	14%	0.141	50%	0.495	C	S	.	.			trans	-108.2	148.6	-150.2	-80	158.7	0	0	0	113.6	I8 Y19 F110	I8-L108 HydrophobicContact CB-CD2 4.22Å; I8-L108 HydrophobicContact CD1-CD1 3.97Å; I8-L108 HydrophobicContact CD1-CD2 3.23Å; I8-L108 HydrophobicContact CD1-CG 4.24Å; I8-L108 HydrophobicContact CG1-CD2 3.33Å; I8-L108 HydrophobicContact CG2-CD2 3.9Å; Y19-L108 HydrophobicContact CE1-CD1 4.16Å; Y19-L108 HydrophobicContact CE2-CD1 3.8Å; Y19-L108 WeakPolarHBondContact OH-CD1 3.49Å; L108-F110 WeakPolarHBondContact O-CD2 2.98Å; L108-F110 WeakPolarHBondContact O-CE2 3.42Å; L108-F110 PolarHBondContact O-N 3.04Å
109	F	25.3	Very low	27	Very low	135 Å²	135	94 Å²	94	59%	0.592	51%	0.511	S	S	*	.			trans	-59.4	115	179.1	-84.1	-95.4	0	0	0	111.1
110	F	26.7	Very low	26.5	Very low	27 Å²	27	98.9 Å²	98.9	12%	0.118	53%	0.533	C	S	.	.			trans	-95.8	94.9	163.9	-68.8	-76.5	0	0	0	108.9	F38 F53 L95 L108 V112	F38-F110 HydrophobicContact CB-CZ 4.36Å; F38-F110 HydrophobicContact CD1-CD1 4.13Å; F38-F110 AromaticContact CD1-CE1 3.12Å; F38-F110 HydrophobicContact CD1-CE1 3.12Å; F38-F110 AromaticContact CD1-CZ 3.52Å; F38-F110 HydrophobicContact CD1-CZ 3.52Å; F38-F110 HydrophobicContact CD2-CE1 4.13Å; F38-F110 AromaticContact CD2-CZ 3.81Å; F38-F110 HydrophobicContact CD2-CZ 3.81Å; F38-F110 AromaticContact CE1-CD1 3.5Å; F38-F110 HydrophobicContact CE1-CD1 3.5Å; F38-F110 AromaticContact CE1-CE1 2.94Å; F38-F110 HydrophobicContact CE1-CE1 2.94Å; F38-F110 AromaticContact CE1-CZ 3.67Å; F38-F110 HydrophobicContact CE1-CZ 3.67Å; F38-F110 HydrophobicContact CE2-CD1 4.48Å; F38-F110 AromaticContact CE2-CE1 3.95Å; F38-F110 HydrophobicContact CE2-CE1 3.95Å; F38-F110 AromaticContact CE2-CZ 3.9Å; F38-F110 HydrophobicContact CE2-CZ 3.9Å; F38-F110 AromaticContact CG-CE1 3.74Å; F38-F110 HydrophobicContact CG-CE1 3.74Å; F38-F110 AromaticContact CG-CZ 3.6Å; F38-F110 HydrophobicContact CG-CZ 3.6Å; F38-F110 AromaticContact CZ-CD1 3.69Å; F38-F110 HydrophobicContact CZ-CD1 3.69Å; F38-F110 AromaticContact CZ-CE1 3.38Å; F38-F110 HydrophobicContact CZ-CE1 3.38Å; F38-F110 HydrophobicContact CZ-CG 4.45Å; F38-F110 AromaticContact CZ-CZ 3.83Å; F38-F110 HydrophobicContact CZ-CZ 3.83Å; F53-F110 AromaticContact CE1-CE2 3.8Å; F53-F110 HydrophobicContact CE1-CE2 3.8Å; F53-F110 AromaticContact CE1-CZ 3.91Å; F53-F110 HydrophobicContact CE1-CZ 3.91Å; F53-F110 HydrophobicContact CZ-CD2 4.31Å; F53-F110 AromaticContact CZ-CE2 3.48Å; F53-F110 HydrophobicContact CZ-CE2 3.48Å; F53-F110 VanDerWaalsContact CZ-CE2 3.48Å; F53-F110 AromaticContact CZ-CZ 3.76Å; F53-F110 HydrophobicContact CZ-CZ 3.76Å; L95-F110 HydrophobicContact CD1-CD2 4.46Å; L95-F110 HydrophobicContact CD2-CD2 3.7Å; L95-F110 HydrophobicContact CD2-CE2 4.13Å; L108-F110 WeakPolarHBondContact O-CD2 2.98Å; L108-F110 WeakPolarHBondContact O-CE2 3.42Å; L108-F110 PolarHBondContact O-N 3.04Å; F110-V112 HydrophobicContact CB-CG2 3.78Å; F110-V112 PolarHBondContact O-N 2.94Å
111	T	24.6	Very low	26.1	Very low	72 Å²	72	98.8 Å²	98.8	44%	0.442	54%	0.536	S	S	.	.			trans	-80.5	84.4	162.3	-36.8	0	0	0	0	106.9	N113	T111-N113 PolarHBondContact O-N 3.1Å
112	V	25.6	Very low	25.5	Very low	61 Å²	61	97.1 Å²	97.1	37%	0.37	54%	0.536	S	S	.	.			trans	-72.9	67.5	178.9	-169.8	0	0	0	0	109.3	F110 N114 F115	F110-V112 HydrophobicContact CB-CG2 3.78Å; F110-V112 PolarHBondContact O-N 2.94Å; V112-N114 VanDerWaalsContact C-N 3.3Å; V112-F115 HydrophobicContact CG1-CB 4.25Å; V112-F115 HydrophobicContact CG1-CD2 3.05Å; V112-F115 HydrophobicContact CG1-CE2 3.63Å; V112-F115 HydrophobicContact CG1-CG 3.98Å
113	N	23.6	Very low	25.3	Very low	119 Å²	119	106.4 Å²	106.4	64%	0.636	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-5.8	-177.7	-88.1	-10.6	0	0	0	113.4	T111	T111-N113 PolarHBondContact O-N 3.1Å
114	N	24.3	Very low	25	Very low	137 Å²	137	105.7 Å²	105.7	73%	0.733	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.4	47.6	-175.4	-80.1	-40.9	0	0	0	113.8	V112 K116	V112-N114 VanDerWaalsContact C-N 3.3Å; N114-K116 PolarHBondContact O-N 2.88Å
115	F	25.9	Very low	24.7	Very low	89 Å²	89	106.6 Å²	106.6	39%	0.39	59%	0.585	S	S	.	*			trans	-71.2	80.6	158	-103.5	-102.6	0	0	0	109.8	F36 V112 M117	F36-F115 HydrophobicContact CD1-CE1 4.46Å; F36-F115 AromaticContact CD1-CZ 3.71Å; F36-F115 HydrophobicContact CD1-CZ 3.71Å; F36-F115 AromaticContact CE1-CE1 3.32Å; F36-F115 HydrophobicContact CE1-CE1 3.32Å; F36-F115 HydrophobicContact CE1-CE2 4.06Å; F36-F115 AromaticContact CE1-CZ 2.94Å; F36-F115 HydrophobicContact CE1-CZ 2.94Å; F36-F115 HydrophobicContact CE2-CE1 4.42Å; F36-F115 HydrophobicContact CE2-CZ 4.19Å; F36-F115 HydrophobicContact CZ-CD1 4.34Å; F36-F115 AromaticContact CZ-CE1 3.25Å; F36-F115 HydrophobicContact CZ-CE1 3.25Å; F36-F115 HydrophobicContact CZ-CE2 4.18Å; F36-F115 AromaticContact CZ-CZ 3.18Å; F36-F115 HydrophobicContact CZ-CZ 3.18Å; V112-F115 HydrophobicContact CG1-CB 4.25Å; V112-F115 HydrophobicContact CG1-CD2 3.05Å; V112-F115 HydrophobicContact CG1-CE2 3.63Å; V112-F115 HydrophobicContact CG1-CG 3.98Å; F115-M117 PolarHBondContact O-N 2.8Å; F115-M117 VanDerWaalsContact O-N 3.08Å
116	K	21.8	Very low	24.5	Very low	170 Å²	170	106.2 Å²	106.2	74%	0.739	57%	0.573	S	S	*	*			trans	-71.3	92.5	149.3	-75.9	-176.3	177.8	178.4	0	105.7	N114 F118	N114-K116 PolarHBondContact O-N 2.88Å; K116-F118 PolarHBondContact O-N 3.12Å
117	M	24	Very low	24.3	Very low	138 Å²	138	107.5 Å²	107.5	68%	0.68	58%	0.58	S	S	*	*			trans	-51.1	110.8	159.5	-105.7	178	75.9	0	0	106.1	F115 S119	F115-M117 PolarHBondContact O-N 2.8Å; F115-M117 VanDerWaalsContact O-N 3.08Å; M117-S119 PolarHBondContact O-N 3.49Å
118	F	21.7	Very low	24.1	Very low	166 Å²	166	111.1 Å²	111.1	73%	0.728	60%	0.6	S	S	*	*			trans	-66.3	95.7	162.5	-71.3	-85.2	0	0	0	105.4	K116 N120	K116-F118 PolarHBondContact O-N 3.12Å; F118-N120 VanDerWaalsContact C-N 3.29Å; F118-N120 PolarHBondContact O-N 2.87Å
119	S	23	Very low	23.7	Very low	87 Å²	87	116.7 Å²	116.7	61%	0.608	63%	0.631	S	S	*	*			trans	-63	103	161.4	58.3	0	0	0	0	105.3	M117 S121	M117-S119 PolarHBondContact O-N 3.49Å; S119-S121 PolarHBondContact O-N 3.47Å
120	N	22.1	Very low	23.6	Very low	134 Å²	134	115.4 Å²	115.4	72%	0.717	63%	0.634	S	S	*	*			trans	-67.3	69.3	153.8	-77.5	-14	0	0	0	106.8	F118 S122	F118-N120 VanDerWaalsContact C-N 3.29Å; F118-N120 PolarHBondContact O-N 2.87Å; N120-S122 PolarHBondContact O-N 2.92Å
121	S	21.9	Very low	23.4	Very low	95 Å²	95	122.2 Å²	122.2	66%	0.664	67%	0.673	S	S	*	*			trans	-70.4	84.5	148.4	52.1	0	0	0	0	104.7	S119 V123	S119-S121 PolarHBondContact O-N 3.47Å; S121-V123 PolarHBondContact O-N 2.65Å; S121-V123 VanDerWaalsContact O-N 3.11Å
122	S	20.3	Very low	23.3	Very low	109 Å²	109	126.4 Å²	126.4	76%	0.762	69%	0.693	S	S	*	*			trans	-51.9	105.2	149.9	48.4	0	0	0	0	108.1	N120	N120-S122 PolarHBondContact O-N 2.92Å
123	V	25	Very low	23	Very low	212 Å²	212	132.4 Å²	132.4	100%	1.285	72%	0.722	S	S	*	*			trans	-133.2	0	140.1	-177.5	0	0	0	0	106	S121	S121-V123 PolarHBondContact O-N 2.65Å; S121-V123 VanDerWaalsContact O-N 3.11Å

Retrieved 123 of 123 residues in 93.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).