A0A077ZJW2_TRITR Loading...

Truncated disease resistance protein

AlphaFold DB , UniProt , Accession A0A077ZJW2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 93 aa.

						>A0A077ZJW2_TRITR|A0A077ZJW2
MLRSWVMVISTIPAYRVIYGIIFKIHLRLSMSSKNIYSLMVHYLLFLNNNYSCRNPIKNSTFLKFITITIYVGVHPDKPALSAYIFTVEQYTL
					

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	32.3	Very low	36.3	Very low	245 Å²	245	130.4 Å²	130.4	100%	1.207	68%	0.676	S	S	*	*				0	103.4	0	-77	-177.4	165.1	0	0	109	R3	M1-R3 PolarHBondContact O-N 2.98Å
2	L	29.3	Very low	37.2	Very low	172 Å²	172	126.5 Å²	126.5	90%	0.901	66%	0.655	S	S	*	*			trans	-75.2	111	167.6	-93.7	99.9	0	0	0	107.7	S4	L2-S4 PolarHBondContact O-N 2.68Å
3	R	29.8	Very low	38	Very low	212 Å²	212	124.3 Å²	124.3	80%	0.8	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-71.4	124.2	167.9	-94.9	-178.1	171.4	-178.1	-2.5	108.1	M1 W5	M1-R3 PolarHBondContact O-N 2.98Å; R3-W5 VanDerWaalsContact O-CD1 3.22Å; R3-W5 PolarHBondContact O-N 3.26Å; R3-W5 PolarHBondContact O-NE1 3.39Å
4	S	30	Very low	38.5	Very low	122 Å²	122	115.9 Å²	115.9	85%	0.853	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-61.5	122.4	173.7	-58.2	0	0	0	0	110	L2	L2-S4 PolarHBondContact O-N 2.68Å
5	W	39.8	Very low	38.8	Very low	139 Å²	139	121.1 Å²	121.1	53%	0.527	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-90.3	128.2	176.6	-52.8	88.9	0	0	0	108.5	R3 M7 M31	R3-W5 VanDerWaalsContact O-CD1 3.22Å; R3-W5 PolarHBondContact O-N 3.26Å; R3-W5 PolarHBondContact O-NE1 3.39Å; W5-M7 PolarHBondContact O-N 3.41Å; W5-M31 HydrophobicContact CE3-CE 3.79Å; W5-M31 HydrophobicContact CE3-CG 4.2Å; W5-M31 HydrophobicContact CH2-CE 2.98Å; W5-M31 HydrophobicContact CH2-CG 4.44Å; W5-M31 HydrophobicContact CH2-SD 4.44Å; W5-M31 HydrophobicContact CZ2-CE 3.82Å; W5-M31 HydrophobicContact CZ3-CB 4Å; W5-M31 HydrophobicContact CZ3-CE 2.97Å; W5-M31 HydrophobicContact CZ3-CG 3.56Å; W5-M31 HydrophobicContact CZ3-SD 3.99Å
6	V	35.4	Very low	39	Very low	121 Å²	121	128 Å²	128	73%	0.733	64%	0.637	S	S	*	*			trans	-90.1	101.3	169.3	-178	0	0	0	0	107.2	V8	V6-V8 HydrophobicContact CG1-CG2 4.08Å
7	M	40.7	Very low	39.1	Very low	108 Å²	108	125.1 Å²	125.1	53%	0.532	63%	0.627	S	S	.	*			trans	-92.1	103.5	174	-172	-179.1	-78.8	0	0	107.9	W5 I9 L27	W5-M7 PolarHBondContact O-N 3.41Å; M7-I9 HydrophobicContact CG-CD1 4.33Å; M7-I9 HydrophobicContact CG-CG1 3.89Å; M7-I9 PolarHBondContact O-N 3.33Å; M7-I9 HydrophobicContact SD-CD1 3.92Å; M7-I9 HydrophobicContact SD-CG1 4.11Å; M7-L27 HydrophobicContact CE-CD2 4.1Å; M7-L27 HydrophobicContact CG-CD2 3.2Å; M7-L27 HydrophobicContact SD-CD2 3.54Å; M7-L27 VanDerWaalsContact SD-CD2 3.54Å
8	V	38.1	Very low	39.3	Very low	73 Å²	73	126.7 Å²	126.7	44%	0.442	64%	0.637	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.8	108.4	172.8	-176.5	0	0	0	0	107.4	V6 R28	V6-V8 HydrophobicContact CG1-CG2 4.08Å; V8-R28 PolarHBondContact O-N 3.01Å
9	I	43.6	Very low	39.4	Very low	96 Å²	96	128.5 Å²	128.5	49%	0.492	64%	0.636	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.3	104.4	173	-55.4	-179.6	0	0	0	106.5	M7 T11 I25 H26 L27	M7-I9 HydrophobicContact CG-CD1 4.33Å; M7-I9 HydrophobicContact CG-CG1 3.89Å; M7-I9 PolarHBondContact O-N 3.33Å; M7-I9 HydrophobicContact SD-CD1 3.92Å; M7-I9 HydrophobicContact SD-CG1 4.11Å; I9-T11 HydrophobicContact CG2-CG2 4.48Å; I9-I25 HydrophobicContact CG2-CG2 3.69Å; I9-H26 WeakPolarHBondContact CA-O 3.32Å; I9-L27 HydrophobicContact CG1-CD2 4.23Å; I9-L27 HydrophobicContact CG1-CG 4.45Å
10	S	37.2	Very low	39.6	Very low	58 Å²	58	123.3 Å²	123.3	41%	0.406	62%	0.616	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.7	108.2	170.4	-80.3	0	0	0	0	109.1	K24 H26	S10-K24 VanDerWaalsContact O-O 3.13Å; S10-H26 PolarHBondContact N-O 3.44Å; S10-H26 PolarHBondContact O-N 2.83Å
11	T	42.8	Very low	40	Very low	88 Å²	88	121.7 Å²	121.7	54%	0.54	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87	103	171.4	35.3	0	0	0	0	109	I9 K24 I25	I9-T11 HydrophobicContact CG2-CG2 4.48Å; T11-K24 CarbonylContact C-O 3.54Å; T11-K24 WeakPolarHBondContact CA-O 3.33Å; T11-I25 HydrophobicContact CG2-CG1 3.88Å
12	I	48	Very low	40.9	Very low	84 Å²	84	112.1 Å²	112.1	43%	0.431	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.2	124.4	171.3	-55.6	176.5	0	0	0	107.1	A14 K24	I12-A14 PolarHBondContact O-N 3.05Å; I12-K24 HydrophobicContact CB-CB 4.35Å; I12-K24 PolarHBondContact N-O 3.12Å; I12-K24 WeakPolarHBondContact O-CA 3.42Å; I12-K24 VanDerWaalsContact O-CB 3.3Å; I12-K24 WeakPolarHBondContact O-CB 3.27Å; I12-K24 PolarHBondContact O-N 2.86Å
13	P	46.7	Very low	41.8	Very low	98 Å²	98	107.8 Å²	107.8	64%	0.636	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	106.3	168.1	24	-28.8	0	0	0	108.2	Y15	P13-Y15 PolarHBondContact O-N 3.1Å
14	A	45.3	Very low	42.7	Very low	7 Å²	7	100.1 Å²	100.1	6%	0.058	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	85	-178.3	0	0	0	0	0	108.8	I12 I22 K24 Y71	I12-A14 PolarHBondContact O-N 3.05Å; A14-I22 CarbonylContact C-O 3.56Å; A14-I22 PolarHBondContact N-O 2.81Å; A14-I22 WeakPolarHBondContact O-CB 3.37Å; A14-K24 HydrophobicContact CB-CB 3.58Å; A14-K24 HydrophobicContact CB-CD 4.38Å; A14-K24 HydrophobicContact CB-CG 4.44Å; A14-Y71 HydrophobicContact CB-CD1 4.47Å; A14-Y71 HydrophobicContact CB-CE1 4.17Å
15	Y	43.4	Very low	43.8	Very low	194 Å²	194	96 Å²	96	76%	0.761	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	69	133.9	169.5	-42.6	-79.7	0	0	0	114.8	P13 V17	P13-Y15 PolarHBondContact O-N 3.1Å; Y15-V17 PolarHBondContact O-N 2.8Å
16	R	41.5	Very low	44.4	Very low	231 Å²	231	91.2 Å²	91.2	87%	0.872	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	86.9	167	-147.9	-178.2	-166.9	-168.6	3.4	105.9
17	V	40.1	Very low	45.2	Very low	78 Å²	78	86.3 Å²	86.3	47%	0.473	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	146.4	168.8	-174.8	0	0	0	0	106.5	Y15 Y19 G20 I22	Y15-V17 PolarHBondContact O-N 2.8Å; V17-Y19 PolarHBondContact O-N 2.83Å; V17-G20 PolarHBondContact O-N 2.98Å; V17-I22 HydrophobicContact CB-CD1 4.16Å; V17-I22 HydrophobicContact CG2-CD1 3.7Å
18	I	43	Very low	45.8	Very low	155 Å²	155	87.3 Å²	87.3	80%	0.795	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.6	-13.3	-172.1	-66.1	167.5	0	0	0	114.4
19	Y	41.8	Very low	46.6	Very low	161 Å²	161	84.9 Å²	84.9	63%	0.631	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	7.8	-176.4	-63.2	-74.4	0	0	0	116.5	V17 P76	V17-Y19 PolarHBondContact O-N 2.83Å; Y19-P76 HydrophobicContact CD1-CB 3.87Å; Y19-P76 HydrophobicContact CD1-CG 3.71Å; Y19-P76 HydrophobicContact CG-CG 4.17Å
20	G	43.4	Very low	47	Very low	23 Å²	23	84.6 Å²	84.6	24%	0.237	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.7	163.9	172.9	0	0	0	0	0	115.9	V17 I22	V17-G20 PolarHBondContact O-N 2.98Å; G20-I22 PolarHBondContact O-N 2.9Å
21	I	48.2	Very low	47.8	Very low	90 Å²	90	83.5 Å²	83.5	46%	0.462	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	115.8	172.5	-56.6	171.9	0	0	0	107.9	F23 G73	I21-F23 HydrophobicContact CB-CE2 4Å; I21-F23 HydrophobicContact CB-CZ 4.29Å; I21-F23 HydrophobicContact CG2-CD1 4.32Å; I21-F23 HydrophobicContact CG2-CD2 3.93Å; I21-F23 HydrophobicContact CG2-CE1 3.88Å; I21-F23 HydrophobicContact CG2-CE2 3.45Å; I21-F23 VanDerWaalsContact CG2-CE2 3.45Å; I21-F23 HydrophobicContact CG2-CG 4.35Å; I21-F23 HydrophobicContact CG2-CZ 3.43Å; I21-F23 VanDerWaalsContact CG2-CZ 3.43Å; I21-G73 WeakPolarHBondContact O-CA 3.3Å
22	I	51.7	Low	48.3	Very low	44 Å²	44	82.8 Å²	82.8	23%	0.226	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	110.9	174	-60.2	174.4	0	0	0	108.1	A14 V17 G20 Y71 V72	A14-I22 CarbonylContact C-O 3.56Å; A14-I22 PolarHBondContact N-O 2.81Å; A14-I22 WeakPolarHBondContact O-CB 3.37Å; V17-I22 HydrophobicContact CB-CD1 4.16Å; V17-I22 HydrophobicContact CG2-CD1 3.7Å; G20-I22 PolarHBondContact O-N 2.9Å; I22-Y71 HydrophobicContact CG2-CD1 3.52Å; I22-Y71 HydrophobicContact CG2-CG 4.16Å; I22-V72 CarbonylContact C-O 3.5Å; I22-V72 VanDerWaalsContact CA-O 3.27Å; I22-V72 WeakPolarHBondContact CA-O 3.27Å
23	F	47.5	Very low	48.5	Very low	82 Å²	82	82 Å²	82	36%	0.36	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.8	172.3	-63.5	-84.1	0	0	0	109.6	I21 Y71 V72	I21-F23 HydrophobicContact CB-CE2 4Å; I21-F23 HydrophobicContact CB-CZ 4.29Å; I21-F23 HydrophobicContact CG2-CD1 4.32Å; I21-F23 HydrophobicContact CG2-CD2 3.93Å; I21-F23 HydrophobicContact CG2-CE1 3.88Å; I21-F23 HydrophobicContact CG2-CE2 3.45Å; I21-F23 VanDerWaalsContact CG2-CE2 3.45Å; I21-F23 HydrophobicContact CG2-CG 4.35Å; I21-F23 HydrophobicContact CG2-CZ 3.43Å; I21-F23 VanDerWaalsContact CG2-CZ 3.43Å; F23-Y71 WeakPolarHBondContact O-CA 3.48Å; F23-V72 PolarHBondContact N-O 3.35Å; F23-V72 PolarHBondContact O-N 2.95Å
24	K	49.5	Very low	48.9	Very low	50 Å²	50	85.9 Å²	85.9	22%	0.217	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	109	172	-170	-172.7	-168.6	-162.8	0	108.7	S10 T11 I12 A14 H26 T69 I70 Y71	S10-K24 VanDerWaalsContact O-O 3.13Å; T11-K24 CarbonylContact C-O 3.54Å; T11-K24 WeakPolarHBondContact CA-O 3.33Å; I12-K24 HydrophobicContact CB-CB 4.35Å; I12-K24 PolarHBondContact N-O 3.12Å; I12-K24 WeakPolarHBondContact O-CA 3.42Å; I12-K24 VanDerWaalsContact O-CB 3.3Å; I12-K24 WeakPolarHBondContact O-CB 3.27Å; I12-K24 PolarHBondContact O-N 2.86Å; A14-K24 HydrophobicContact CB-CB 3.58Å; A14-K24 HydrophobicContact CB-CD 4.38Å; A14-K24 HydrophobicContact CB-CG 4.44Å; K24-H26 WeakPolarHBondContact CD-NE2 3.46Å; K24-H26 WeakPolarHBondContact CE-CE1 3.33Å; K24-H26 WeakPolarHBondContact CE-NE2 3.25Å; K24-H26 PolarHBondContact NZ-CE1 2.98Å; K24-H26 VanDerWaalsContact NZ-CE1 3.3Å; K24-H26 PolarHBondContact NZ-NE2 2.89Å; K24-T69 HydrophobicContact CD-CG2 3.98Å; K24-T69 HydrophobicContact CG-CG2 3.4Å; K24-I70 WeakPolarHBondContact CA-O 3.09Å; K24-Y71 HydrophobicContact CB-CE1 4.41Å; K24-Y71 HydrophobicContact CD-CE1 4.43Å; K24-Y71 HydrophobicContact CG-CE1 4.15Å
25	I	52.9	Low	49.3	Very low	37 Å²	37	89.4 Å²	89.4	19%	0.19	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	114.7	176.1	-58.1	173.2	0	0	0	108.4	I9 T11 L27 T69 I70 V72	I9-I25 HydrophobicContact CG2-CG2 3.69Å; T11-I25 HydrophobicContact CG2-CG1 3.88Å; I25-L27 HydrophobicContact CG2-CD1 4.29Å; I25-L27 HydrophobicContact CG2-CG 4.48Å; I25-T69 VanDerWaalsContact O-CA 3.29Å; I25-T69 WeakPolarHBondContact O-CA 3.37Å; I25-I70 HydrophobicContact CB-CB 4.28Å; I25-I70 PolarHBondContact N-O 2.84Å; I25-I70 PolarHBondContact O-N 3.48Å; I25-V72 HydrophobicContact CD1-CG2 4.28Å
26	H	51.2	Low	49.8	Very low	38 Å²	38	80.3 Å²	80.3	18%	0.176	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	118.6	168.1	-78.8	-67.5	0	0	0	110.2	I9 S10 K24 T67 I68 T69	I9-H26 WeakPolarHBondContact CA-O 3.32Å; S10-H26 PolarHBondContact N-O 3.44Å; S10-H26 PolarHBondContact O-N 2.83Å; K24-H26 WeakPolarHBondContact CD-NE2 3.46Å; K24-H26 WeakPolarHBondContact CE-CE1 3.33Å; K24-H26 WeakPolarHBondContact CE-NE2 3.25Å; K24-H26 PolarHBondContact NZ-CE1 2.98Å; K24-H26 VanDerWaalsContact NZ-CE1 3.3Å; K24-H26 PolarHBondContact NZ-NE2 2.89Å; H26-T67 VanDerWaalsContact ND1-CG2 3.29Å; H26-T67 WeakPolarHBondContact ND1-CG2 3.37Å; H26-I68 WeakPolarHBondContact CA-O 3.34Å; H26-T69 PolarHBondContact CE1-OG1 3.34Å
27	L	53.7	Low	50.5	Low	17 Å²	17	72.9 Å²	72.9	9%	0.089	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.7	174.4	-103	153.1	0	0	0	108.7	M7 I9 I25 T67 I68	M7-L27 HydrophobicContact CE-CD2 4.1Å; M7-L27 HydrophobicContact CG-CD2 3.2Å; M7-L27 HydrophobicContact SD-CD2 3.54Å; M7-L27 VanDerWaalsContact SD-CD2 3.54Å; I9-L27 HydrophobicContact CG1-CD2 4.23Å; I9-L27 HydrophobicContact CG1-CG 4.45Å; I25-L27 HydrophobicContact CG2-CD1 4.29Å; I25-L27 HydrophobicContact CG2-CG 4.48Å; L27-T67 WeakPolarHBondContact O-CA 3.23Å; L27-I68 HydrophobicContact CB-CB 3.93Å; L27-I68 HydrophobicContact CB-CG2 4.38Å; L27-I68 PolarHBondContact N-O 3.5Å; L27-I68 PolarHBondContact O-N 3.25Å; L27-I68 VanDerWaalsContact O-N 3.1Å
28	R	52.5	Low	51.5	Low	130 Å²	130	72.5 Å²	72.5	49%	0.491	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.7	176	-164.4	174.4	-177.9	173.7	0.5	110	V8 F65 I66	V8-R28 PolarHBondContact O-N 3.01Å; R28-F65 HydrophobicContact CG-CB 4.06Å; R28-F65 VanDerWaalsContact NH2-CD2 3.3Å; R28-F65 VanDerWaalsContact NH2-CE2 3.29Å; R28-I66 WeakPolarHBondContact CA-O 3.38Å
29	L	55.3	Low	52.4	Low	22 Å²	22	68.3 Å²	68.3	12%	0.115	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.3	178.4	-73.4	155.4	0	0	0	110.1	L39 I66	L29-L39 HydrophobicContact CD1-CD2 3.78Å; L29-I66 PolarHBondContact N-O 2.83Å; L29-I66 PolarHBondContact O-N 3.25Å
30	S	50.8	Low	53.2	Low	89 Å²	89	61.2 Å²	61.2	62%	0.622	32%	0.322	S	S	*	.			trans	-112.8	111.5	174.6	151.3	0	0	0	0	108.5
31	M	54.3	Low	54.1	Low	35 Å²	35	63.5 Å²	63.5	17%	0.172	33%	0.332	C	S	.	.			trans	-140.3	172.3	173.9	-24	164.5	87.5	0	0	110.8	W5 N35 I36 L39	W5-M31 HydrophobicContact CE3-CE 3.79Å; W5-M31 HydrophobicContact CE3-CG 4.2Å; W5-M31 HydrophobicContact CH2-CE 2.98Å; W5-M31 HydrophobicContact CH2-CG 4.44Å; W5-M31 HydrophobicContact CH2-SD 4.44Å; W5-M31 HydrophobicContact CZ2-CE 3.82Å; W5-M31 HydrophobicContact CZ3-CB 4Å; W5-M31 HydrophobicContact CZ3-CE 2.97Å; W5-M31 HydrophobicContact CZ3-CG 3.56Å; W5-M31 HydrophobicContact CZ3-SD 3.99Å; M31-N35 HydrophobicContact CB-CB 4.26Å; M31-N35 HydrophobicContact CE-CB 3.89Å; M31-N35 HydrophobicContact SD-CB 4.08Å; M31-I36 HydrophobicContact CB-CD1 4.22Å; M31-I36 HydrophobicContact CB-CG1 3.54Å; M31-I36 HydrophobicContact CG-CD1 4.46Å; M31-I36 HydrophobicContact CG-CG1 3.72Å; M31-I36 VanDerWaalsContact O-CD1 3.3Å; M31-I36 WeakPolarHBondContact O-CD1 3.04Å; M31-I36 HydrophobicContact SD-CG1 3.94Å; M31-L39 HydrophobicContact SD-CB 4.44Å; M31-L39 HydrophobicContact SD-CD2 4.16Å
32	S	54.4	Low	54.8	Low	73 Å²	73	65.6 Å²	65.6	51%	0.51	34%	0.339	S	S	.	.			trans	-64.5	144	167.1	57.2	0	0	0	0	110.7	K34 N35 I36	S32-K34 PolarHBondContact O-N 3.47Å; S32-N35 PolarHBondContact O-N 3.3Å; S32-I36 PolarHBondContact O-N 2.99Å
33	S	52	Low	55.2	Low	69 Å²	69	68.1 Å²	68.1	48%	0.483	35%	0.346	S	S	.	.	H	α-helix	trans	-49.5	-38.1	-171	51.7	0	0	0	0	114.7	Y37	S33-Y37 PolarHBondContact O-N 3.11Å
34	K	55.1	Low	55.6	Low	178 Å²	178	67 Å²	67	77%	0.774	34%	0.344	S	S	*	.	H	α-helix	trans	-64	-42.5	176.3	-88.6	-173.5	175.3	-178.9	0	113.6	S32 S38	S32-K34 PolarHBondContact O-N 3.47Å; K34-S38 PolarHBondContact O-N 2.94Å
35	N	53.7	Low	56.2	Low	82 Å²	82	69.4 Å²	69.4	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-75.8	-33.8	-177	-75.7	-1.9	0	0	0	111.7	M31 S32 Y37 S38 L39	M31-N35 HydrophobicContact CB-CB 4.26Å; M31-N35 HydrophobicContact CE-CB 3.89Å; M31-N35 HydrophobicContact SD-CB 4.08Å; S32-N35 PolarHBondContact O-N 3.3Å; N35-Y37 VanDerWaalsContact C-N 3.34Å; N35-Y37 PolarHBondContact O-N 2.88Å; N35-S38 PolarHBondContact O-N 2.81Å; N35-L39 WeakPolarHBondContact O-CB 3.29Å; N35-L39 PolarHBondContact O-N 2.94Å
36	I	54.4	Low	56.4	Low	3 Å²	3	73.4 Å²	73.4	2%	0.015	38%	0.375	C	S	.	.	H	α-helix	trans	-60.8	-45.9	174.6	-63.7	-170.3	0	0	0	110.4	M31 S32 S38 L39 M40 L63 I66	M31-I36 HydrophobicContact CB-CD1 4.22Å; M31-I36 HydrophobicContact CB-CG1 3.54Å; M31-I36 HydrophobicContact CG-CD1 4.46Å; M31-I36 HydrophobicContact CG-CG1 3.72Å; M31-I36 VanDerWaalsContact O-CD1 3.3Å; M31-I36 WeakPolarHBondContact O-CD1 3.04Å; M31-I36 HydrophobicContact SD-CG1 3.94Å; S32-I36 PolarHBondContact O-N 2.99Å; I36-S38 PolarHBondContact O-N 3.17Å; I36-L39 PolarHBondContact O-N 2.98Å; I36-M40 WeakPolarHBondContact O-CB 3.06Å; I36-M40 PolarHBondContact O-N 2.85Å; I36-L63 HydrophobicContact CB-CD1 4.1Å; I36-L63 HydrophobicContact CD1-CB 4.32Å; I36-L63 HydrophobicContact CD1-CD2 4.26Å; I36-L63 HydrophobicContact CG2-CD1 3.54Å; I36-L63 HydrophobicContact CG2-CD2 3.67Å; I36-L63 HydrophobicContact CG2-CG 4.12Å; I36-I66 HydrophobicContact CG2-CD1 3.22Å; I36-I66 HydrophobicContact CG2-CG1 3.67Å
37	Y	55.4	Low	56.5	Low	75 Å²	75	72.4 Å²	72.4	29%	0.294	37%	0.371	S	S	.	.	H	α-helix	trans	-61.3	-46.4	-179.7	-118.9	-87.4	0	0	0	112.6	S33 N35 L39 M40 V41 N59 L63	S33-Y37 PolarHBondContact O-N 3.11Å; N35-Y37 VanDerWaalsContact C-N 3.34Å; N35-Y37 PolarHBondContact O-N 2.88Å; Y37-L39 VanDerWaalsContact C-N 3.34Å; Y37-L39 PolarHBondContact O-N 2.68Å; Y37-M40 PolarHBondContact O-N 3.07Å; Y37-V41 HydrophobicContact CD1-CG2 4.47Å; Y37-V41 VanDerWaalsContact O-CG2 3.3Å; Y37-V41 WeakPolarHBondContact O-CG2 3.29Å; Y37-V41 PolarHBondContact O-N 3.36Å; Y37-N59 WeakPolarHBondContact OH-CA 3.43Å; Y37-N59 WeakPolarHBondContact OH-CB 3.34Å; Y37-N59 PolarHBondContact OH-ND2 2.84Å; Y37-N59 PolarHBondContact OH-OD1 3.42Å; Y37-L63 HydrophobicContact CD2-CD1 3.84Å; Y37-L63 HydrophobicContact CE2-CD1 4.1Å
38	S	60.5	Low	56.4	Low	69 Å²	69	76.5 Å²	76.5	48%	0.483	39%	0.393	S	S	.	.	H	α-helix	trans	-61	-44.4	178.1	-177.4	0	0	0	0	111.6	K34 N35 I36 M40 V41 H42	K34-S38 PolarHBondContact O-N 2.94Å; N35-S38 PolarHBondContact O-N 2.81Å; I36-S38 PolarHBondContact O-N 3.17Å; S38-M40 PolarHBondContact O-N 3.04Å; S38-V41 PolarHBondContact O-N 3.41Å; S38-H42 WeakPolarHBondContact O-CB 3.35Å; S38-H42 PolarHBondContact O-N 3.44Å
39	L	62.1	Low	56.5	Low	67 Å²	67	76.5 Å²	76.5	35%	0.351	40%	0.402	S	S	.	.	H	α-helix	trans	-63	-43.5	176.5	-162.8	83.3	0	0	0	111	L29 M31 N35 I36 Y37 H42 Y43	L29-L39 HydrophobicContact CD1-CD2 3.78Å; M31-L39 HydrophobicContact SD-CB 4.44Å; M31-L39 HydrophobicContact SD-CD2 4.16Å; N35-L39 WeakPolarHBondContact O-CB 3.29Å; N35-L39 PolarHBondContact O-N 2.94Å; I36-L39 PolarHBondContact O-N 2.98Å; Y37-L39 VanDerWaalsContact C-N 3.34Å; Y37-L39 PolarHBondContact O-N 2.68Å; L39-H42 PolarHBondContact O-N 2.87Å; L39-Y43 WeakPolarHBondContact O-CB 3.29Å; L39-Y43 PolarHBondContact O-N 2.59Å
40	M	59.4	Low	56	Low	13 Å²	13	80 Å²	80	6%	0.064	42%	0.421	C	S	.	.	H	α-helix	trans	-64.8	-40.1	-179.6	-159	178.5	77.1	0	0	111.9	I36 Y37 S38 Y43 L44 I57 I66	I36-M40 WeakPolarHBondContact O-CB 3.06Å; I36-M40 PolarHBondContact O-N 2.85Å; Y37-M40 PolarHBondContact O-N 3.07Å; S38-M40 PolarHBondContact O-N 3.04Å; M40-Y43 PolarHBondContact O-N 3.1Å; M40-L44 WeakPolarHBondContact O-CB 3.32Å; M40-L44 PolarHBondContact O-N 2.71Å; M40-I57 HydrophobicContact CE-CB 4.07Å; M40-I57 HydrophobicContact CE-CD1 3.73Å; M40-I57 HydrophobicContact CE-CG1 4.49Å; M40-I57 HydrophobicContact CE-CG2 3.4Å; M40-I57 VanDerWaalsContact CE-CG2 3.4Å; M40-I57 HydrophobicContact CG-CD1 3.64Å; M40-I57 HydrophobicContact SD-CD1 3.7Å; M40-I57 HydrophobicContact SD-CG2 3.86Å; M40-I66 HydrophobicContact CB-CD1 3.95Å; M40-I66 HydrophobicContact CG-CD1 3.74Å; M40-I66 HydrophobicContact SD-CD1 3.57Å; M40-I66 VanDerWaalsContact SD-CD1 3.57Å
41	V	61.1	Low	55.6	Low	71 Å²	71	81.4 Å²	81.4	43%	0.43	41%	0.414	S	S	.	.	H	α-helix	trans	-66	-45.9	174.2	170.6	0	0	0	0	111.1	Y37 S38 Y43 L44 L45	Y37-V41 HydrophobicContact CD1-CG2 4.47Å; Y37-V41 VanDerWaalsContact O-CG2 3.3Å; Y37-V41 WeakPolarHBondContact O-CG2 3.29Å; Y37-V41 PolarHBondContact O-N 3.36Å; S38-V41 PolarHBondContact O-N 3.41Å; V41-Y43 VanDerWaalsContact C-N 3.31Å; V41-Y43 PolarHBondContact O-N 3.47Å; V41-L44 PolarHBondContact O-N 3.11Å; V41-L45 HydrophobicContact CG1-CD1 4.12Å; V41-L45 WeakPolarHBondContact O-CB 3.37Å; V41-L45 PolarHBondContact O-N 2.84Å
42	H	62.8	Low	55.1	Low	134 Å²	134	85.6 Å²	85.6	62%	0.62	45%	0.447	S	S	*	.	H	α-helix	trans	-59.9	-43.4	175.5	-104.2	85.2	0	0	0	111.7	S38 L39 L45 F46	S38-H42 WeakPolarHBondContact O-CB 3.35Å; S38-H42 PolarHBondContact O-N 3.44Å; L39-H42 PolarHBondContact O-N 2.87Å; H42-L45 PolarHBondContact O-N 2.77Å; H42-F46 WeakPolarHBondContact O-CB 3.49Å; H42-F46 PolarHBondContact O-N 3.37Å
43	Y	60.8	Low	54.5	Low	96 Å²	96	84.1 Å²	84.1	38%	0.376	44%	0.436	S	S	.	.	H	α-helix	trans	-67.2	-41.3	179.2	-127	-91.2	0	0	0	111.8	L39 M40 V41 F46 L47 F86	L39-Y43 WeakPolarHBondContact O-CB 3.29Å; L39-Y43 PolarHBondContact O-N 2.59Å; M40-Y43 PolarHBondContact O-N 3.1Å; V41-Y43 VanDerWaalsContact C-N 3.31Å; V41-Y43 PolarHBondContact O-N 3.47Å; Y43-F46 PolarHBondContact O-N 3.19Å; Y43-L47 HydrophobicContact CD1-CD1 3.95Å; Y43-L47 HydrophobicContact CD1-CG 4.33Å; Y43-L47 WeakPolarHBondContact O-CB 3.3Å; Y43-L47 WeakPolarHBondContact O-CD1 3.32Å; Y43-L47 VanDerWaalsContact O-CG 3.23Å; Y43-L47 WeakPolarHBondContact O-CG 3.41Å; Y43-L47 PolarHBondContact O-N 3.38Å; Y43-F86 HydrophobicContact CD1-CZ 4.3Å
44	L	56.7	Low	54	Low	60 Å²	60	91.7 Å²	91.7	31%	0.314	45%	0.454	S	S	.	.	H	α-helix	trans	-59.8	-45.1	173.5	-96.2	165.5	0	0	0	112	M40 V41 L47 N48 I57	M40-L44 WeakPolarHBondContact O-CB 3.32Å; M40-L44 PolarHBondContact O-N 2.71Å; V41-L44 PolarHBondContact O-N 3.11Å; L44-L47 PolarHBondContact O-N 3.48Å; L44-N48 VanDerWaalsContact O-CB 3.27Å; L44-N48 WeakPolarHBondContact O-CB 3.41Å; L44-N48 PolarHBondContact O-N 2.85Å; L44-I57 HydrophobicContact CD1-CD1 3.32Å; L44-I57 HydrophobicContact CD1-CG1 3.94Å; L44-I57 HydrophobicContact CD2-CD1 4.22Å; L44-I57 HydrophobicContact CG-CD1 3.79Å
45	L	60.5	Low	53.5	Low	99 Å²	99	88.4 Å²	88.4	52%	0.518	45%	0.445	S	S	.	.	H	α-helix	trans	-61.4	-46.2	176	-95.8	155.3	0	0	0	111.5	V41 H42 L47 N48 N49	V41-L45 HydrophobicContact CG1-CD1 4.12Å; V41-L45 WeakPolarHBondContact O-CB 3.37Å; V41-L45 PolarHBondContact O-N 2.84Å; H42-L45 PolarHBondContact O-N 2.77Å; L45-L47 VanDerWaalsContact C-N 3.32Å; L45-L47 PolarHBondContact O-N 3.42Å; L45-N48 PolarHBondContact O-N 3.13Å; L45-N49 WeakPolarHBondContact O-CB 3.31Å; L45-N49 PolarHBondContact O-N 2.95Å; L45-N49 PolarHBondContact O-ND2 3.12Å
46	F	58.7	Low	52.8	Low	121 Å²	121	90.2 Å²	90.2	53%	0.531	46%	0.461	S	S	.	.	H	α-helix	trans	-60.5	-43.7	176.6	-178.1	-94.7	0	0	0	111.7	H42 Y43 N50	H42-F46 WeakPolarHBondContact O-CB 3.49Å; H42-F46 PolarHBondContact O-N 3.37Å; Y43-F46 PolarHBondContact O-N 3.19Å; F46-N50 PolarHBondContact O-N 3.38Å; F46-N50 PolarHBondContact O-ND2 2.88Å
47	L	52.5	Low	52.5	Low	17 Å²	17	91.8 Å²	91.8	9%	0.089	47%	0.469	C	S	.	.	H	α-helix	trans	-63.4	-54.1	176.9	-76.7	161.6	0	0	0	110.8	Y43 L44 L45 N49 N50 Y51 F86	Y43-L47 HydrophobicContact CD1-CD1 3.95Å; Y43-L47 HydrophobicContact CD1-CG 4.33Å; Y43-L47 WeakPolarHBondContact O-CB 3.3Å; Y43-L47 WeakPolarHBondContact O-CD1 3.32Å; Y43-L47 VanDerWaalsContact O-CG 3.23Å; Y43-L47 WeakPolarHBondContact O-CG 3.41Å; Y43-L47 PolarHBondContact O-N 3.38Å; L44-L47 PolarHBondContact O-N 3.48Å; L45-L47 VanDerWaalsContact C-N 3.32Å; L45-L47 PolarHBondContact O-N 3.42Å; L47-N49 PolarHBondContact O-N 3.01Å; L47-N49 VanDerWaalsContact O-N 3.12Å; L47-N50 PolarHBondContact O-N 3.3Å; L47-Y51 CarbonylContact C-O 3.54Å; L47-Y51 HydrophobicContact CD2-CD2 4.38Å; L47-Y51 CarbonylContact O-C 3.45Å; L47-Y51 PolarHBondContact O-N 3.33Å; L47-F86 HydrophobicContact CD1-CD1 3.61Å; L47-F86 HydrophobicContact CD1-CD2 4.28Å; L47-F86 HydrophobicContact CD1-CE1 3.11Å; L47-F86 HydrophobicContact CD1-CE2 3.89Å; L47-F86 HydrophobicContact CD1-CG 4.15Å; L47-F86 HydrophobicContact CD1-CZ 3.34Å; L47-F86 HydrophobicContact CD2-CD2 4.3Å; L47-F86 HydrophobicContact CD2-CE2 4.45Å; L47-F86 HydrophobicContact CD2-CG 4.34Å; L47-F86 HydrophobicContact CG-CE1 4.47Å
48	N	51.4	Low	51.9	Low	104 Å²	104	97 Å²	97	56%	0.556	49%	0.493	S	S	*	.	H	α-helix	trans	-59.9	-29.1	-176.5	-149.7	23.7	0	0	0	112.5	L44 L45	L44-N48 VanDerWaalsContact O-CB 3.27Å; L44-N48 WeakPolarHBondContact O-CB 3.41Å; L44-N48 PolarHBondContact O-N 2.85Å; L45-N48 PolarHBondContact O-N 3.13Å
49	N	54.8	Low	51	Low	129 Å²	129	99.8 Å²	99.8	69%	0.69	50%	0.503	S	S	*	.	H	α-helix	trans	-76.5	-28.6	174.8	-79.9	-20.4	0	0	0	114.4	L45 L47	L45-N49 WeakPolarHBondContact O-CB 3.31Å; L45-N49 PolarHBondContact O-N 2.95Å; L45-N49 PolarHBondContact O-ND2 3.12Å; L47-N49 PolarHBondContact O-N 3.01Å; L47-N49 VanDerWaalsContact O-N 3.12Å
50	N	45.6	Very low	49.9	Very low	96 Å²	96	98.6 Å²	98.6	51%	0.513	50%	0.499	S	S	.	.	H	α-helix	trans	-110.1	-28.8	-172.5	-72.7	-81.9	0	0	0	114	F46 L47	F46-N50 PolarHBondContact O-N 3.38Å; F46-N50 PolarHBondContact O-ND2 2.88Å; L47-N50 PolarHBondContact O-N 3.3Å
51	Y	42.3	Very low	49	Very low	118 Å²	118	104.1 Å²	104.1	46%	0.463	53%	0.534	S	S	.	.	S	Bend	trans	-139.8	121.2	-174.9	-56.9	-84.6	0	0	0	105.9	L47 C53	L47-Y51 CarbonylContact C-O 3.54Å; L47-Y51 HydrophobicContact CD2-CD2 4.38Å; L47-Y51 CarbonylContact O-C 3.45Å; L47-Y51 PolarHBondContact O-N 3.33Å; Y51-C53 PolarHBondContact O-N 3.47Å
52	S	43.2	Very low	48.1	Very low	124 Å²	124	107.5 Å²	107.5	87%	0.867	54%	0.543	S	S	*	.			trans	-62.9	58.5	-178.6	-57.8	0	0	0	0	113.7	R54	S52-R54 PolarHBondContact O-N 3.45Å
53	C	40.6	Very low	47.4	Very low	41 Å²	41	101.7 Å²	101.7	28%	0.277	52%	0.517	S	S	.	.			trans	-86.2	106.8	-176.6	-90.3	0	0	0	0	108.5	Y51	Y51-C53 PolarHBondContact O-N 3.47Å
54	R	43.1	Very low	46.9	Very low	229 Å²	229	100.8 Å²	100.8	86%	0.864	52%	0.515	S	S	*	.			trans	-106.8	93.4	169.7	-66	-175.3	-174.6	-174.7	2.5	108.5	S52	S52-R54 PolarHBondContact O-N 3.45Å
55	N	43.5	Very low	46.6	Very low	109 Å²	109	99.9 Å²	99.9	58%	0.583	51%	0.509	S	S	*	.			trans	-135.8	124.6	161.6	-105.4	-23	0	0	0	109.8	I57	N55-I57 PolarHBondContact O-N 2.82Å
56	P	40	Very low	46.4	Very low	119 Å²	119	95.6 Å²	95.6	77%	0.773	49%	0.486	S	S	*	.			trans	-74.9	125.7	-178.3	28.7	-31.5	0	0	0	110.2
57	I	47.3	Very low	46.2	Very low	36 Å²	36	90.9 Å²	90.9	19%	0.185	47%	0.467	C	S	.	.			trans	-80.4	124.5	172	-55.4	-172.5	0	0	0	108.8	M40 L44 N55 N59 V88	M40-I57 HydrophobicContact CE-CB 4.07Å; M40-I57 HydrophobicContact CE-CD1 3.73Å; M40-I57 HydrophobicContact CE-CG1 4.49Å; M40-I57 HydrophobicContact CE-CG2 3.4Å; M40-I57 VanDerWaalsContact CE-CG2 3.4Å; M40-I57 HydrophobicContact CG-CD1 3.64Å; M40-I57 HydrophobicContact SD-CD1 3.7Å; M40-I57 HydrophobicContact SD-CG2 3.86Å; L44-I57 HydrophobicContact CD1-CD1 3.32Å; L44-I57 HydrophobicContact CD1-CG1 3.94Å; L44-I57 HydrophobicContact CD2-CD1 4.22Å; L44-I57 HydrophobicContact CG-CD1 3.79Å; N55-I57 PolarHBondContact O-N 2.82Å; I57-N59 PolarHBondContact O-N 3.35Å; I57-V88 HydrophobicContact CD1-CB 4.42Å; I57-V88 HydrophobicContact CD1-CG1 4.34Å; I57-V88 HydrophobicContact CD1-CG2 4.44Å
58	K	43.2	Very low	46.4	Very low	186 Å²	186	90.6 Å²	90.6	81%	0.809	47%	0.466	S	S	*	.			trans	-77.3	107.8	174.9	-79.2	-175.5	175.7	-179.9	0	109.6	S60 Q90	K58-S60 PolarHBondContact O-N 3.05Å; K58-Q90 PolarHBondContact O-OE1 3.46Å
59	N	40.8	Very low	46.6	Very low	127 Å²	127	85.8 Å²	85.8	68%	0.679	44%	0.44	S	S	*	.			trans	-52.6	109.2	174.3	-74.4	-3.9	0	0	0	111.2	Y37 I57	Y37-N59 WeakPolarHBondContact OH-CA 3.43Å; Y37-N59 WeakPolarHBondContact OH-CB 3.34Å; Y37-N59 PolarHBondContact OH-ND2 2.84Å; Y37-N59 PolarHBondContact OH-OD1 3.42Å; I57-N59 PolarHBondContact O-N 3.35Å
60	S	39	Very low	46.6	Very low	41 Å²	41	81.2 Å²	81.2	29%	0.287	42%	0.415	S	S	.	.			trans	-120.7	132	169	174.8	0	0	0	0	110.7	K58 F62 T92	K58-S60 PolarHBondContact O-N 3.05Å; S60-F62 VanDerWaalsContact C-N 3.27Å; S60-F62 PolarHBondContact O-N 3.39Å; S60-T92 WeakPolarHBondContact OG-CG2 3.43Å
61	T	41	Very low	47	Very low	130 Å²	130	79.8 Å²	79.8	80%	0.798	40%	0.403	S	S	*	.	S	Bend	trans	-76.1	-6.8	-174.5	38.1	0	0	0	0	114.2
62	F	41.9	Very low	47.5	Very low	141 Å²	141	75.3 Å²	75.3	62%	0.618	39%	0.388	S	S	*	.			trans	-116.9	52.2	-179.5	-95.8	-86.9	0	0	0	113.1	S60 K64 T92	S60-F62 VanDerWaalsContact C-N 3.27Å; S60-F62 PolarHBondContact O-N 3.39Å; F62-K64 PolarHBondContact O-N 2.92Å; F62-K64 VanDerWaalsContact O-N 3.13Å; F62-T92 VanDerWaalsContact C-CG2 3.5Å; F62-T92 HydrophobicContact CB-CG2 3.67Å; F62-T92 WeakPolarHBondContact O-CA 3.3Å; F62-T92 WeakPolarHBondContact O-CB 3.49Å; F62-T92 WeakPolarHBondContact O-CG2 3.49Å
63	L	49.3	Very low	47.9	Very low	12 Å²	12	69.8 Å²	69.8	6%	0.063	35%	0.35	C	S	.	.			trans	-63.2	110.8	176.9	-109.7	163.5	0	0	0	112.2	I36 Y37 I66 Q90	I36-L63 HydrophobicContact CB-CD1 4.1Å; I36-L63 HydrophobicContact CD1-CB 4.32Å; I36-L63 HydrophobicContact CD1-CD2 4.26Å; I36-L63 HydrophobicContact CG2-CD1 3.54Å; I36-L63 HydrophobicContact CG2-CD2 3.67Å; I36-L63 HydrophobicContact CG2-CG 4.12Å; Y37-L63 HydrophobicContact CD2-CD1 3.84Å; Y37-L63 HydrophobicContact CE2-CD1 4.1Å; L63-I66 HydrophobicContact CD2-CD1 4.39Å; L63-I66 HydrophobicContact CD2-CG1 3.71Å; L63-Q90 HydrophobicContact CD2-CG 3.31Å; L63-Q90 VanDerWaalsContact CD2-NE2 3.33Å; L63-Q90 HydrophobicContact CG-CG 3.8Å
64	K	50.5	Low	48.5	Very low	77 Å²	77	70.9 Å²	70.9	34%	0.335	36%	0.356	S	S	.	.			trans	-103.7	-38.5	171.1	-67.7	-173.3	-172.9	161.5	0	111.9	F62 Y91 L93	F62-K64 PolarHBondContact O-N 2.92Å; F62-K64 VanDerWaalsContact O-N 3.13Å; K64-Y91 PolarHBondContact N-O 3.46Å; K64-L93 HydrophobicContact CD-CB 3.52Å; K64-L93 HydrophobicContact CD-CD1 3.54Å; K64-L93 HydrophobicContact CD-CG 3.8Å; K64-L93 VanDerWaalsContact NZ-CB 3.31Å; K64-L93 PolarHBondContact NZ-O 3.36Å
65	F	50.4	Low	48.8	Very low	42 Å²	42	63.2 Å²	63.2	18%	0.184	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	142.4	176.3	-31.5	-80.7	0	0	0	111.5	R28 Y91 L93	R28-F65 HydrophobicContact CG-CB 4.06Å; R28-F65 VanDerWaalsContact NH2-CD2 3.3Å; R28-F65 VanDerWaalsContact NH2-CE2 3.29Å; F65-Y91 PolarHBondContact N-O 2.96Å; F65-Y91 PolarHBondContact O-N 3.01Å; F65-Y91 VanDerWaalsContact O-N 3.11Å; F65-L93 HydrophobicContact CE2-CD1 3.73Å; F65-L93 HydrophobicContact CE2-CG 3.96Å; F65-L93 HydrophobicContact CZ-CD1 3.81Å
66	I	55.3	Low	49.4	Very low	8 Å²	8	61.6 Å²	61.6	4%	0.041	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	130.6	163.1	-65.5	-174.8	0	0	0	107.7	R28 L29 I36 M40 L63 I68 V88	R28-I66 WeakPolarHBondContact CA-O 3.38Å; L29-I66 PolarHBondContact N-O 2.83Å; L29-I66 PolarHBondContact O-N 3.25Å; I36-I66 HydrophobicContact CG2-CD1 3.22Å; I36-I66 HydrophobicContact CG2-CG1 3.67Å; M40-I66 HydrophobicContact CB-CD1 3.95Å; M40-I66 HydrophobicContact CG-CD1 3.74Å; M40-I66 HydrophobicContact SD-CD1 3.57Å; M40-I66 VanDerWaalsContact SD-CD1 3.57Å; L63-I66 HydrophobicContact CD2-CD1 4.39Å; L63-I66 HydrophobicContact CD2-CG1 3.71Å; I66-I68 HydrophobicContact CG2-CD1 4.38Å; I66-I68 HydrophobicContact CG2-CG1 3.91Å; I66-V88 HydrophobicContact CG2-CG1 3.56Å
67	T	53.7	Low	50.4	Low	23 Å²	23	62.1 Å²	62.1	14%	0.141	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	114.9	165.5	-54.4	0	0	0	0	108.4	H26 L27 V88 E89	H26-T67 VanDerWaalsContact ND1-CG2 3.29Å; H26-T67 WeakPolarHBondContact ND1-CG2 3.37Å; L27-T67 WeakPolarHBondContact O-CA 3.23Å; T67-V88 WeakPolarHBondContact O-CA 3.41Å; T67-E89 PolarHBondContact N-O 3.47Å; T67-E89 PolarHBondContact O-N 3.05Å
68	I	58.3	Low	50.7	Low	11 Å²	11	67 Å²	67	6%	0.056	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129.7	169.8	-75.8	165.4	0	0	0	107.6	H26 L27 I66 I70 F86	H26-I68 WeakPolarHBondContact CA-O 3.34Å; L27-I68 HydrophobicContact CB-CB 3.93Å; L27-I68 HydrophobicContact CB-CG2 4.38Å; L27-I68 PolarHBondContact N-O 3.5Å; L27-I68 PolarHBondContact O-N 3.25Å; L27-I68 VanDerWaalsContact O-N 3.1Å; I66-I68 HydrophobicContact CG2-CD1 4.38Å; I66-I68 HydrophobicContact CG2-CG1 3.91Å; I68-I70 HydrophobicContact CG2-CD1 4.1Å; I68-I70 HydrophobicContact CG2-CG1 3.77Å; I68-F86 HydrophobicContact CB-CE2 4.15Å; I68-F86 HydrophobicContact CB-CZ 4.35Å; I68-F86 HydrophobicContact CD1-CE2 4.41Å; I68-F86 HydrophobicContact CD1-CZ 4.13Å; I68-F86 HydrophobicContact CG1-CE2 4.05Å; I68-F86 HydrophobicContact CG1-CZ 3.77Å; I68-F86 HydrophobicContact CG2-CD2 3.95Å; I68-F86 HydrophobicContact CG2-CE2 3.19Å; I68-F86 HydrophobicContact CG2-CZ 3.84Å
69	T	53.9	Low	51.1	Low	3 Å²	3	64.8 Å²	64.8	2%	0.018	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.8	171.9	-57.9	0	0	0	0	109.2	K24 I25 H26 Y71 F86 T87	K24-T69 HydrophobicContact CD-CG2 3.98Å; K24-T69 HydrophobicContact CG-CG2 3.4Å; I25-T69 VanDerWaalsContact O-CA 3.29Å; I25-T69 WeakPolarHBondContact O-CA 3.37Å; H26-T69 PolarHBondContact CE1-OG1 3.34Å; T69-Y71 HydrophobicContact CG2-CD2 4.16Å; T69-Y71 HydrophobicContact CG2-CE1 4.42Å; T69-Y71 HydrophobicContact CG2-CE2 3.59Å; T69-F86 VanDerWaalsContact O-CA 3.3Å; T69-F86 WeakPolarHBondContact O-CA 3.43Å; T69-T87 WeakPolarHBondContact CB-OG1 3.44Å; T69-T87 PolarHBondContact N-O 3.35Å; T69-T87 PolarHBondContact O-N 3.2Å; T69-T87 VanDerWaalsContact O-N 3.07Å
70	I	56	Low	51.5	Low	33 Å²	33	61.5 Å²	61.5	17%	0.169	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.8	174.8	-54	165.3	0	0	0	108	K24 I25 I68 V72 A83 F86	K24-I70 WeakPolarHBondContact CA-O 3.09Å; I25-I70 HydrophobicContact CB-CB 4.28Å; I25-I70 PolarHBondContact N-O 2.84Å; I25-I70 PolarHBondContact O-N 3.48Å; I68-I70 HydrophobicContact CG2-CD1 4.1Å; I68-I70 HydrophobicContact CG2-CG1 3.77Å; I70-V72 HydrophobicContact CG2-CG2 3.72Å; I70-A83 HydrophobicContact CG2-CB 4.09Å; I70-F86 HydrophobicContact CG1-CD2 3.93Å; I70-F86 HydrophobicContact CG1-CE2 4.23Å
71	Y	53.4	Low	52	Low	65 Å²	65	65.2 Å²	65.2	26%	0.255	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	111.8	170.5	-64.9	-83.1	0	0	0	109.5	A14 I22 F23 K24 T69 A83 Y84 I85	A14-Y71 HydrophobicContact CB-CD1 4.47Å; A14-Y71 HydrophobicContact CB-CE1 4.17Å; I22-Y71 HydrophobicContact CG2-CD1 3.52Å; I22-Y71 HydrophobicContact CG2-CG 4.16Å; F23-Y71 WeakPolarHBondContact O-CA 3.48Å; K24-Y71 HydrophobicContact CB-CE1 4.41Å; K24-Y71 HydrophobicContact CD-CE1 4.43Å; K24-Y71 HydrophobicContact CG-CE1 4.15Å; T69-Y71 HydrophobicContact CG2-CD2 4.16Å; T69-Y71 HydrophobicContact CG2-CE1 4.42Å; T69-Y71 HydrophobicContact CG2-CE2 3.59Å; Y71-A83 CarbonylContact O-C 3.48Å; Y71-A83 VanDerWaalsContact O-CA 3.31Å; Y71-A83 WeakPolarHBondContact O-CA 3.46Å; Y71-Y84 PolarHBondContact O-N 2.88Å; Y71-I85 HydrophobicContact CD2-CB 3.62Å; Y71-I85 HydrophobicContact CD2-CG2 3.79Å; Y71-I85 WeakPolarHBondContact CD2-O 3.35Å; Y71-I85 HydrophobicContact CE2-CB 4.38Å; Y71-I85 HydrophobicContact CE2-CG2 4.07Å; Y71-I85 HydrophobicContact CG-CB 4.31Å; Y71-I85 PolarHBondContact N-O 3.49Å
72	V	53.2	Low	52.3	Low	25 Å²	25	60.1 Å²	60.1	15%	0.152	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	117.1	178.3	-165.3	0	0	0	0	108.9	I22 F23 I25 I70 L81 A83	I22-V72 CarbonylContact C-O 3.5Å; I22-V72 VanDerWaalsContact CA-O 3.27Å; I22-V72 WeakPolarHBondContact CA-O 3.27Å; F23-V72 PolarHBondContact N-O 3.35Å; F23-V72 PolarHBondContact O-N 2.95Å; I25-V72 HydrophobicContact CD1-CG2 4.28Å; I70-V72 HydrophobicContact CG2-CG2 3.72Å; V72-L81 HydrophobicContact CG1-CB 4.16Å; V72-L81 HydrophobicContact CG1-CD2 3.49Å; V72-L81 VanDerWaalsContact CG1-CD2 3.49Å; V72-L81 HydrophobicContact CG1-CG 4.42Å; V72-A83 HydrophobicContact CG2-CB 4.45Å
73	G	52.7	Low	52.8	Low	7 Å²	7	55.2 Å²	55.2	7%	0.072	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	164.4	178.1	0	0	0	0	0	111.7	I21 S82	I21-G73 WeakPolarHBondContact O-CA 3.3Å; G73-S82 PolarHBondContact N-O 3.35Å; G73-S82 PolarHBondContact O-N 2.93Å
74	V	51.6	Low	52.9	Low	64 Å²	64	60.3 Å²	60.3	39%	0.388	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	125.4	167.3	-175.9	0	0	0	0	106.5	L81	V74-L81 HydrophobicContact CG2-CD2 4.19Å; V74-L81 HydrophobicContact CG2-CG 4.43Å
75	H	51	Low	52.9	Low	68 Å²	68	61.5 Å²	61.5	32%	0.315	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	136.1	175.5	-160.4	-85.3	0	0	0	108.8	D77 K78 Y84	H75-D77 IonicContact CE1-OD2 3.33Å; H75-D77 PolarHBondContact CE1-OD2 3.47Å; H75-D77 PolarHBondContact ND1-N 3.22Å; H75-D77 IonicContact ND1-OD2 3.56Å; H75-D77 PolarHBondContact O-N 3.31Å; H75-D77 VanDerWaalsContact O-N 3.1Å; H75-K78 HydrophobicContact CB-CB 4.19Å; H75-K78 CarbonylContact O-C 3.55Å; H75-K78 PolarHBondContact O-N 2.78Å; H75-Y84 WeakPolarHBondContact CB-OH 2.96Å; H75-Y84 AromaticContact CD2-CZ 3.77Å; H75-Y84 PolarHBondContact CD2-OH 2.85Å
76	P	55.6	Low	53.1	Low	75 Å²	75	60.8 Å²	60.8	49%	0.487	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-31.2	-176.6	20.7	-31.6	0	0	0	112.7	Y19	Y19-P76 HydrophobicContact CD1-CB 3.87Å; Y19-P76 HydrophobicContact CD1-CG 3.71Å; Y19-P76 HydrophobicContact CG-CG 4.17Å
77	D	61.3	Low	52.9	Low	131 Å²	131	62.3 Å²	62.3	70%	0.701	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-1.1	-178.7	-46.7	-53.5	0	0	0	114.6	H75	H75-D77 IonicContact CE1-OD2 3.33Å; H75-D77 PolarHBondContact CE1-OD2 3.47Å; H75-D77 PolarHBondContact ND1-N 3.22Å; H75-D77 IonicContact ND1-OD2 3.56Å; H75-D77 PolarHBondContact O-N 3.31Å; H75-D77 VanDerWaalsContact O-N 3.1Å
78	K	51.9	Low	52.8	Low	137 Å²	137	63.2 Å²	63.2	60%	0.596	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.9	120.3	179.7	-65.1	-176.2	179.3	177.7	0	110.5	H75 A80	H75-K78 HydrophobicContact CB-CB 4.19Å; H75-K78 CarbonylContact O-C 3.55Å; H75-K78 PolarHBondContact O-N 2.78Å; K78-A80 PolarHBondContact O-N 3.47Å
79	P	52.9	Low	52.3	Low	140 Å²	140	66.9 Å²	66.9	91%	0.909	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	6.1	-178.7	28	-34.4	0	0	0	114.3
80	A	48.8	Very low	52.1	Low	59 Å²	59	68.6 Å²	68.6	49%	0.488	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.4	-178.6	0	0	0	0	0	111.2	K78 S82	K78-A80 PolarHBondContact O-N 3.47Å; A80-S82 PolarHBondContact O-N 3.44Å; A80-S82 VanDerWaalsContact O-N 3.11Å; A80-S82 PolarHBondContact O-OG 3.43Å
81	L	49.5	Very low	51.6	Low	118 Å²	118	72.7 Å²	72.7	62%	0.618	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-48.8	119.2	164.4	-84.7	153.4	0	0	0	108.6	V72 V74	V72-L81 HydrophobicContact CG1-CB 4.16Å; V72-L81 HydrophobicContact CG1-CD2 3.49Å; V72-L81 VanDerWaalsContact CG1-CD2 3.49Å; V72-L81 HydrophobicContact CG1-CG 4.42Å; V74-L81 HydrophobicContact CG2-CD2 4.19Å; V74-L81 HydrophobicContact CG2-CG 4.43Å
82	S	48.1	Very low	51.2	Low	24 Å²	24	72.9 Å²	72.9	17%	0.168	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.3	-178.4	14.4	0	0	0	0	108.5	G73 A80 Y84	G73-S82 PolarHBondContact N-O 3.35Å; G73-S82 PolarHBondContact O-N 2.93Å; A80-S82 PolarHBondContact O-N 3.44Å; A80-S82 VanDerWaalsContact O-N 3.11Å; A80-S82 PolarHBondContact O-OG 3.43Å; S82-Y84 VanDerWaalsContact CB-OH 3.29Å; S82-Y84 WeakPolarHBondContact CB-OH 3.21Å; S82-Y84 WeakPolarHBondContact O-CD2 3.32Å; S82-Y84 WeakPolarHBondContact O-CE2 3.38Å; S82-Y84 VanDerWaalsContact OG-CE2 3.25Å; S82-Y84 WeakPolarHBondContact OG-CE2 3.3Å; S82-Y84 PolarHBondContact OG-OH 3.29Å
83	A	51.3	Low	51.2	Low	37 Å²	37	79.8 Å²	79.8	31%	0.306	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	118.1	179.8	0	0	0	0	0	107.9	I70 Y71 V72	I70-A83 HydrophobicContact CG2-CB 4.09Å; Y71-A83 CarbonylContact O-C 3.48Å; Y71-A83 VanDerWaalsContact O-CA 3.31Å; Y71-A83 WeakPolarHBondContact O-CA 3.46Å; V72-A83 HydrophobicContact CG2-CB 4.45Å
84	Y	51.9	Low	51.2	Low	120 Å²	120	83.4 Å²	83.4	47%	0.471	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	-28	-164.9	-79.6	-75.1	0	0	0	114.2	Y71 H75 S82	Y71-Y84 PolarHBondContact O-N 2.88Å; H75-Y84 WeakPolarHBondContact CB-OH 2.96Å; H75-Y84 AromaticContact CD2-CZ 3.77Å; H75-Y84 PolarHBondContact CD2-OH 2.85Å; S82-Y84 VanDerWaalsContact CB-OH 3.29Å; S82-Y84 WeakPolarHBondContact CB-OH 3.21Å; S82-Y84 WeakPolarHBondContact O-CD2 3.32Å; S82-Y84 WeakPolarHBondContact O-CE2 3.38Å; S82-Y84 VanDerWaalsContact OG-CE2 3.25Å; S82-Y84 WeakPolarHBondContact OG-CE2 3.3Å; S82-Y84 PolarHBondContact OG-OH 3.29Å
85	I	50.1	Low	51.1	Low	102 Å²	102	84.4 Å²	84.4	52%	0.523	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	134.3	-175	-60.1	178.1	0	0	0	109.7	Y71	Y71-I85 HydrophobicContact CD2-CB 3.62Å; Y71-I85 HydrophobicContact CD2-CG2 3.79Å; Y71-I85 WeakPolarHBondContact CD2-O 3.35Å; Y71-I85 HydrophobicContact CE2-CB 4.38Å; Y71-I85 HydrophobicContact CE2-CG2 4.07Å; Y71-I85 HydrophobicContact CG-CB 4.31Å; Y71-I85 PolarHBondContact N-O 3.49Å
86	F	55.2	Low	51.1	Low	27 Å²	27	85.3 Å²	85.3	12%	0.118	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	119.4	178.4	-177.6	-100.5	0	0	0	109.3	Y43 L47 I68 T69 I70 V88	Y43-F86 HydrophobicContact CD1-CZ 4.3Å; L47-F86 HydrophobicContact CD1-CD1 3.61Å; L47-F86 HydrophobicContact CD1-CD2 4.28Å; L47-F86 HydrophobicContact CD1-CE1 3.11Å; L47-F86 HydrophobicContact CD1-CE2 3.89Å; L47-F86 HydrophobicContact CD1-CG 4.15Å; L47-F86 HydrophobicContact CD1-CZ 3.34Å; L47-F86 HydrophobicContact CD2-CD2 4.3Å; L47-F86 HydrophobicContact CD2-CE2 4.45Å; L47-F86 HydrophobicContact CD2-CG 4.34Å; L47-F86 HydrophobicContact CG-CE1 4.47Å; I68-F86 HydrophobicContact CB-CE2 4.15Å; I68-F86 HydrophobicContact CB-CZ 4.35Å; I68-F86 HydrophobicContact CD1-CE2 4.41Å; I68-F86 HydrophobicContact CD1-CZ 4.13Å; I68-F86 HydrophobicContact CG1-CE2 4.05Å; I68-F86 HydrophobicContact CG1-CZ 3.77Å; I68-F86 HydrophobicContact CG2-CD2 3.95Å; I68-F86 HydrophobicContact CG2-CE2 3.19Å; I68-F86 HydrophobicContact CG2-CZ 3.84Å; T69-F86 VanDerWaalsContact O-CA 3.3Å; T69-F86 WeakPolarHBondContact O-CA 3.43Å; I70-F86 HydrophobicContact CG1-CD2 3.93Å; I70-F86 HydrophobicContact CG1-CE2 4.23Å; F86-V88 HydrophobicContact CD1-CG2 3.69Å; F86-V88 HydrophobicContact CE1-CB 4.36Å; F86-V88 HydrophobicContact CE1-CG2 2.9Å; F86-V88 HydrophobicContact CZ-CG2 3.46Å; F86-V88 VanDerWaalsContact CZ-CG2 3.46Å
87	T	50.1	Low	50.9	Low	39 Å²	39	85.9 Å²	85.9	24%	0.239	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.5	168.4	50.2	0	0	0	0	110.1	T69	T69-T87 WeakPolarHBondContact CB-OG1 3.44Å; T69-T87 PolarHBondContact N-O 3.35Å; T69-T87 PolarHBondContact O-N 3.2Å; T69-T87 VanDerWaalsContact O-N 3.07Å
88	V	52.7	Low	50.2	Low	43 Å²	43	83.1 Å²	83.1	26%	0.261	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.8	170.2	-169.2	0	0	0	0	107.4	I57 I66 T67 F86	I57-V88 HydrophobicContact CD1-CB 4.42Å; I57-V88 HydrophobicContact CD1-CG1 4.34Å; I57-V88 HydrophobicContact CD1-CG2 4.44Å; I66-V88 HydrophobicContact CG2-CG1 3.56Å; T67-V88 WeakPolarHBondContact O-CA 3.41Å; F86-V88 HydrophobicContact CD1-CG2 3.69Å; F86-V88 HydrophobicContact CE1-CB 4.36Å; F86-V88 HydrophobicContact CE1-CG2 2.9Å; F86-V88 HydrophobicContact CZ-CG2 3.46Å; F86-V88 VanDerWaalsContact CZ-CG2 3.46Å
89	E	47.9	Very low	50.1	Low	87 Å²	87	79.5 Å²	79.5	41%	0.407	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.1	171.9	-66.3	-177.6	172.1	0	0	109.5	T67 Y91	T67-E89 PolarHBondContact N-O 3.47Å; T67-E89 PolarHBondContact O-N 3.05Å; E89-Y91 HydrophobicContact CB-CD2 4.23Å; E89-Y91 HydrophobicContact CB-CE2 3.49Å; E89-Y91 VanDerWaalsContact CB-CE2 3.49Å; E89-Y91 WeakPolarHBondContact OE2-CE2 3.16Å; E89-Y91 PolarHBondContact OE2-OH 2.93Å
90	Q	49.6	Very low	49.9	Very low	40 Å²	40	75.2 Å²	75.2	19%	0.187	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.9	-174.2	-156.2	176	21	0	0	107.9	K58 L63	K58-Q90 PolarHBondContact O-OE1 3.46Å; L63-Q90 HydrophobicContact CD2-CG 3.31Å; L63-Q90 VanDerWaalsContact CD2-NE2 3.33Å; L63-Q90 HydrophobicContact CG-CG 3.8Å
91	Y	45.7	Very low	50	Low	118 Å²	118	76.5 Å²	76.5	46%	0.463	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.1	-177	-70	-89.4	0	0	0	111.3	K64 F65 E89	K64-Y91 PolarHBondContact N-O 3.46Å; F65-Y91 PolarHBondContact N-O 2.96Å; F65-Y91 PolarHBondContact O-N 3.01Å; F65-Y91 VanDerWaalsContact O-N 3.11Å; E89-Y91 HydrophobicContact CB-CD2 4.23Å; E89-Y91 HydrophobicContact CB-CE2 3.49Å; E89-Y91 VanDerWaalsContact CB-CE2 3.49Å; E89-Y91 WeakPolarHBondContact OE2-CE2 3.16Å; E89-Y91 PolarHBondContact OE2-OH 2.93Å
92	T	45.3	Very low	50.1	Low	69 Å²	69	73 Å²	73	42%	0.423	37%	0.371	S	S	.	.			trans	-98.9	123.3	167	48.6	0	0	0	0	107.6	S60 F62	S60-T92 WeakPolarHBondContact OG-CG2 3.43Å; F62-T92 VanDerWaalsContact C-CG2 3.5Å; F62-T92 HydrophobicContact CB-CG2 3.67Å; F62-T92 WeakPolarHBondContact O-CA 3.3Å; F62-T92 WeakPolarHBondContact O-CB 3.49Å; F62-T92 WeakPolarHBondContact O-CG2 3.49Å
93	L	52.9	Low	50.2	Low	170 Å²	170	77.5 Å²	77.5	89%	0.89	39%	0.39	S	S	*	.			trans	-76.8	0	163.8	-62.9	152	0	0	0	109.4	K64 F65	K64-L93 HydrophobicContact CD-CB 3.52Å; K64-L93 HydrophobicContact CD-CD1 3.54Å; K64-L93 HydrophobicContact CD-CG 3.8Å; K64-L93 VanDerWaalsContact NZ-CB 3.31Å; K64-L93 PolarHBondContact NZ-O 3.36Å; F65-L93 HydrophobicContact CE2-CD1 3.73Å; F65-L93 HydrophobicContact CE2-CG 3.96Å; F65-L93 HydrophobicContact CZ-CD1 3.81Å

Retrieved 93 of 93 residues in 177.8 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).