A0A075B5V9_MOUSE Loading...

Immunoglobulin heavy variable 1-49

AlphaFold DB , UniProt , Accession A0A075B5V9, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-49, Length 98 aa.

						>A0A075B5V9_MOUSE|A0A075B5V9|Ighv1-49
QRELQQSGAELVRPGSSVKLSCKDSYFAFMASAMHWVKQRPGHGLEWIGSFTMYSDATEYSENFKGKATLTANTSSSTAYMELSSLTSEDSAVYYCAR
					

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	Q	54.3	Low	87.9	Confident	207 Å²	207	107.5 Å²	107.5	97%	0.967	58%	0.578	S	S	*	*				0	124.9	0	-165.9	160	-44.1	0	0	106.6	E3	Q1-E3 HydrophobicContact CG-CG 4.04Å; Q1-E3 PolarHBondContact NE2-OE1 2.9Å
2	R	67.8	Low	88.6	Confident	123 Å²	123	103.4 Å²	103.4	46%	0.464	56%	0.559	S	S	.	*			trans	-86.6	117	179	-173.5	-169	-167.1	-162.8	24.5	107	D24 R98	R2-D24 IonicContact NE-OD2 2.63Å; R2-R98 PolarHBondContact NH1-OXT 3.34Å; R2-R98 VanDerWaalsContact NH2-NH2 3.16Å
3	E	84.1	Confident	89.2	Confident	108 Å²	108	111.6 Å²	111.6	51%	0.505	58%	0.577	S	S	.	*			trans	-128.1	133.8	-177.7	-63.6	-174.8	160.3	0	0	109.7	Q1 S25	Q1-E3 HydrophobicContact CG-CG 4.04Å; Q1-E3 PolarHBondContact NE2-OE1 2.9Å; E3-S25 PolarHBondContact N-OG 3.03Å; E3-S25 PolarHBondContact O-N 3.27Å; E3-S25 PolarHBondContact O-OG 3.42Å
4	L	90.4	Very high	89.7	Confident	57 Å²	57	111.9 Å²	111.9	30%	0.298	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.6	122.4	170.1	-63.9	-178.9	0	0	0	108.2	K23 D24 M34 R98	L4-K23 WeakPolarHBondContact CA-O 3.34Å; L4-D24 HydrophobicContact CD2-CB 3.88Å; L4-M34 HydrophobicContact CD1-SD 4.41Å; L4-M34 HydrophobicContact CD2-CE 3.88Å; L4-R98 HydrophobicContact CD1-CB 4.31Å; L4-R98 HydrophobicContact CD1-CG 4.35Å; L4-R98 HydrophobicContact CD2-CG 4.23Å
5	Q	94.4	Very high	90.2	Very high	138 Å²	138	108.1 Å²	108.1	65%	0.645	59%	0.588	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.9	111.8	175.9	-174.4	174.5	21.7	0	0	109.3	C22 K23	Q5-C22 WeakPolarHBondContact O-CA 3.44Å; Q5-K23 HydrophobicContact CB-CB 4.43Å; Q5-K23 PolarHBondContact N-O 2.9Å; Q5-K23 PolarHBondContact O-N 2.83Å
6	Q	96.1	Very high	90.6	Very high	69 Å²	69	103.9 Å²	103.9	32%	0.322	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.9	152.6	178.3	-71.7	-173	-140	0	0	112.3	S21 C22 Y94 C96	Q6-S21 CarbonylContact C-O 3.59Å; Q6-S21 WeakPolarHBondContact CA-O 3.43Å; Q6-C22 HydrophobicContact CG-CB 4.42Å; Q6-Y94 PolarHBondContact NE2-O 3.03Å; Q6-C96 VanDerWaalsContact CD-SG 3.6Å; Q6-C96 WeakPolarHBondContact CG-SG 3.48Å; Q6-C96 PolarHBondContact OE1-SG 3.23Å
7	S	96.8	Very high	91.1	Very high	33 Å²	33	101.2 Å²	101.2	23%	0.231	56%	0.559	C	S	.	*			trans	-59.3	152.7	163.2	48.6	0	0	0	0	111.2	L20 S21	S7-L20 WeakPolarHBondContact OG-CA 3.33Å; S7-S21 PolarHBondContact N-O 3.04Å; S7-S21 PolarHBondContact OG-N 2.78Å; S7-S21 PolarHBondContact OG-O 2.9Å
8	G	95.7	Very high	91.4	Very high	58 Å²	58	96.3 Å²	96.3	60%	0.598	53%	0.533	S	S	*	.			trans	-70.5	-177.2	177.1	0	0	0	0	0	113.5
9	A	96	Very high	91.8	Very high	113 Å²	113	96.8 Å²	96.8	93%	0.934	53%	0.529	S	S	*	.			trans	-67.4	140.4	175.4	0	0	0	0	0	111.4
10	E	95.6	Very high	92.1	Very high	99 Å²	99	92.9 Å²	92.9	46%	0.463	51%	0.507	S	S	.	.			trans	-122.8	129	177.1	-66.8	-168.4	-145.8	0	0	110.5	V12 V18	E10-V12 HydrophobicContact CB-CG1 4.31Å; E10-V18 HydrophobicContact CB-CG2 3.83Å; E10-V18 HydrophobicContact CG-CG2 4.25Å; E10-V18 VanDerWaalsContact OE2-CG2 3.25Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.49Å
11	L	96.4	Very high	92.3	Very high	177 Å²	177	90 Å²	90	93%	0.927	49%	0.494	S	S	*	.			trans	-100.2	112.5	171.9	-179.3	64.8	0	0	0	108.7
12	V	95.8	Very high	94.2	Very high	59 Å²	59	80.1 Å²	80.1	36%	0.358	45%	0.448	S	S	.	.			trans	-127.3	163.8	-174.1	-62.6	0	0	0	0	111.1	E10 V18 L86	E10-V12 HydrophobicContact CB-CG1 4.31Å; V12-V18 HydrophobicContact CG1-CB 4.33Å; V12-V18 HydrophobicContact CG1-CG2 4.21Å; V12-V18 HydrophobicContact CG2-CB 4.4Å; V12-L86 HydrophobicContact CB-CD1 4.45Å; V12-L86 HydrophobicContact CG2-CD1 3.37Å
13	R	95.9	Very high	95.4	Very high	210 Å²	210	79 Å²	79	79%	0.792	45%	0.446	S	S	*	.			trans	-84.8	149.3	-177.9	-65.2	-179.5	-177.3	174.1	1.1	111.1	S16	R13-S16 PolarHBondContact N-OG 3.32Å; R13-S16 WeakPolarHBondContact O-CB 3.32Å; R13-S16 PolarHBondContact O-N 3.14Å; R13-S16 PolarHBondContact O-OG 3.14Å
14	P	96	Very high	95.5	Very high	115 Å²	115	74 Å²	74	75%	0.747	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	143.1	167.9	-24.8	34.6	0	0	0	111.8	S16 L86	P14-S16 PolarHBondContact O-N 3.19Å; P14-L86 CarbonylContact C-O 3.57Å; P14-L86 WeakPolarHBondContact CA-O 3.19Å
15	G	97.3	Very high	95.1	Very high	55 Å²	55	74.7 Å²	74.7	57%	0.567	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	-12	-177.1	0	0	0	0	0	115.3	L86	G15-L86 PolarHBondContact N-O 2.82Å
16	S	97.6	Very high	94	Very high	42 Å²	42	75.2 Å²	75.2	29%	0.294	43%	0.43	S	S	.	.			trans	-79.5	-179.5	175.6	71.5	0	0	0	0	112.4	R13 P14 S85 L86	R13-S16 PolarHBondContact N-OG 3.32Å; R13-S16 WeakPolarHBondContact O-CB 3.32Å; R13-S16 PolarHBondContact O-N 3.14Å; R13-S16 PolarHBondContact O-OG 3.14Å; P14-S16 PolarHBondContact O-N 3.19Å; S16-S85 PolarHBondContact O-N 3.13Å; S16-L86 VanDerWaalsContact O-CG 3.29Å; S16-L86 WeakPolarHBondContact O-CG 3.47Å; S16-L86 PolarHBondContact O-N 3.41Å
17	S	97.9	Very high	92.3	Very high	57 Å²	57	79 Å²	79	40%	0.399	45%	0.445	S	S	.	.			trans	-111.1	159.3	169.4	64.8	0	0	0	0	111.8	E82 L83	S17-E82 PolarHBondContact OG-OE1 3.29Å; S17-L83 CarbonylContact C-O 3.53Å; S17-L83 WeakPolarHBondContact CA-O 3.41Å; S17-L83 VanDerWaalsContact CB-O 3.23Å; S17-L83 WeakPolarHBondContact CB-O 3.39Å
18	V	98.1	Very high	90.7	Very high	14 Å²	14	79.8 Å²	79.8	9%	0.085	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	141.4	172.8	68.2	0	0	0	0	108.9	E10 V12 L20 E82 L83 L86	E10-V18 HydrophobicContact CB-CG2 3.83Å; E10-V18 HydrophobicContact CG-CG2 4.25Å; E10-V18 VanDerWaalsContact OE2-CG2 3.25Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.49Å; V12-V18 HydrophobicContact CG1-CB 4.33Å; V12-V18 HydrophobicContact CG1-CG2 4.21Å; V12-V18 HydrophobicContact CG2-CB 4.4Å; V18-L20 HydrophobicContact CG2-CD2 4.26Å; V18-E82 CarbonylContact O-C 3.54Å; V18-E82 VanDerWaalsContact O-CA 3.29Å; V18-E82 WeakPolarHBondContact O-CA 3.29Å; V18-L83 HydrophobicContact CG1-CB 4.05Å; V18-L83 HydrophobicContact CG1-CD1 4.44Å; V18-L83 PolarHBondContact N-O 2.9Å; V18-L83 PolarHBondContact O-N 2.97Å; V18-L86 HydrophobicContact CB-CD1 3.93Å; V18-L86 HydrophobicContact CG1-CD1 3.82Å; V18-L86 HydrophobicContact CG1-CD2 4.25Å
19	K	98.1	Very high	88.8	Confident	106 Å²	106	77.1 Å²	77.1	46%	0.461	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	105.1	179.4	-174.9	172.9	-176.5	167.9	0	110.8	Y80	K19-Y80 HydrophobicContact CG-CD1 4.47Å
20	L	98.3	Very high	87.5	Confident	17 Å²	17	75.3 Å²	75.3	9%	0.089	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	150.6	177.6	-58.8	176.1	0	0	0	110.5	S7 V18 W36 Y80 M81 Y94	S7-L20 WeakPolarHBondContact OG-CA 3.33Å; V18-L20 HydrophobicContact CG2-CD2 4.26Å; L20-W36 HydrophobicContact CB-CH2 4.17Å; L20-W36 HydrophobicContact CB-CZ3 4.09Å; L20-Y80 VanDerWaalsContact O-CA 3.24Å; L20-Y80 WeakPolarHBondContact O-CA 3.38Å; L20-M81 HydrophobicContact CD1-CE 3.64Å; L20-M81 PolarHBondContact N-O 2.78Å; L20-M81 PolarHBondContact O-N 2.82Å; L20-Y94 HydrophobicContact CD1-CD1 4.5Å; L20-Y94 HydrophobicContact CD1-CD2 3.9Å; L20-Y94 HydrophobicContact CD1-CG 3.72Å
21	S	96.6	Very high	86.3	Confident	32 Å²	32	74.6 Å²	74.6	22%	0.224	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150	177.5	67.5	0	0	0	0	111.5	Q6 S7 A79	Q6-S21 CarbonylContact C-O 3.59Å; Q6-S21 WeakPolarHBondContact CA-O 3.43Å; S7-S21 PolarHBondContact N-O 3.04Å; S7-S21 PolarHBondContact OG-N 2.78Å; S7-S21 PolarHBondContact OG-O 2.9Å; S21-A79 CarbonylContact C-O 3.5Å; S21-A79 WeakPolarHBondContact CA-O 3.34Å
22	C	94.3	Very high	85.6	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	110.8	174	179.3	0	0	0	0	109.3	Q5 Q6 M34 W36 A79 C96	Q5-C22 WeakPolarHBondContact O-CA 3.44Å; Q6-C22 HydrophobicContact CG-CB 4.42Å; C22-M34 HydrophobicContact CB-CE 4.28Å; C22-M34 VanDerWaalsContact SG-CE 3.5Å; C22-W36 HydrophobicContact CB-CH2 3.69Å; C22-W36 HydrophobicContact CB-CZ2 3.86Å; C22-A79 PolarHBondContact N-O 2.8Å; C22-A79 PolarHBondContact O-N 2.83Å; C22-C96 HydrophobicContact CB-CB 3.36Å; C22-C96 WeakPolarHBondContact CB-SG 3.03Å; C22-C96 WeakPolarHBondContact SG-CB 3.45Å; C22-C96 CovalentContact SG-SG 2.01Å; C22-C96 PolarHBondContact SG-SG 2.84Å
23	K	92	Very high	85.3	Confident	100 Å²	100	66.7 Å²	66.7	44%	0.435	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	130.8	178.4	-174.3	176.8	-177	-177.5	0	109.8	L4 Q5 T78	L4-K23 WeakPolarHBondContact CA-O 3.34Å; Q5-K23 HydrophobicContact CB-CB 4.43Å; Q5-K23 PolarHBondContact N-O 2.9Å; Q5-K23 PolarHBondContact O-N 2.83Å; K23-T78 HydrophobicContact CB-CG2 4.38Å
24	D	86.9	Confident	85.1	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.011	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.8	168.9	-165	-25.1	0	0	0	109.8	R2 L4 Y26 F29 S77 R98	R2-D24 IonicContact NE-OD2 2.63Å; L4-D24 HydrophobicContact CD2-CB 3.88Å; D24-Y26 PolarHBondContact O-N 2.66Å; D24-Y26 PolarHBondContact OD1-N 3.2Å; D24-F29 HydrophobicContact CB-CD2 3.89Å; D24-S77 PolarHBondContact N-O 2.99Å; D24-S77 WeakPolarHBondContact O-CB 3.23Å; D24-R98 WeakPolarHBondContact OD2-CD 3.5Å; D24-R98 IonicContact OD2-CZ 3.44Å; D24-R98 IonicContact OD2-NE 3.52Å; D24-R98 IonicContact OD2-NH1 2.72Å; D24-R98 PolarHBondContact OD2-NH1 2.97Å
25	S	81	Confident	85.1	Confident	73 Å²	73	54.7 Å²	54.7	51%	0.51	32%	0.316	S	S	.	.	S	Bend	trans	-67.8	-16.2	174.9	45.1	0	0	0	0	113.4	E3	E3-S25 PolarHBondContact N-OG 3.03Å; E3-S25 PolarHBondContact O-N 3.27Å; E3-S25 PolarHBondContact O-OG 3.42Å
26	Y	71.1	Confident	85.1	Confident	148 Å²	148	52.1 Å²	52.1	58%	0.58	29%	0.29	S	S	*	.			trans	-105.7	114.4	-179	-164.3	-113.8	0	0	0	113.3	D24 A28 F29	D24-Y26 PolarHBondContact O-N 2.66Å; D24-Y26 PolarHBondContact OD1-N 3.2Å; Y26-A28 HydrophobicContact CD1-CB 3.61Å; Y26-A28 HydrophobicContact CE1-CB 3.23Å; Y26-A28 PolarHBondContact O-N 2.67Å; Y26-A28 VanDerWaalsContact O-N 3.1Å; Y26-F29 PolarHBondContact O-N 3.2Å
27	F	60.8	Low	85.1	Confident	148 Å²	148	51.1 Å²	51.1	65%	0.649	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-58	-23.2	-175.7	-178.4	-101.5	0	0	0	115.1	F29	F27-F29 PolarHBondContact O-N 2.63Å
28	A	63	Low	85.2	Confident	50 Å²	50	48.9 Å²	48.9	41%	0.413	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-71.9	24.5	175.6	0	0	0	0	0	113.4	Y26 M30	Y26-A28 HydrophobicContact CD1-CB 3.61Å; Y26-A28 HydrophobicContact CE1-CB 3.23Å; Y26-A28 PolarHBondContact O-N 2.67Å; Y26-A28 VanDerWaalsContact O-N 3.1Å; A28-M30 PolarHBondContact O-N 2.84Å
29	F	56.3	Low	85.1	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.009	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-61.8	-30.1	175	-177.1	-80.9	0	0	0	112.5	D24 Y26 F27 A31 S32 M34 M53 R98	D24-F29 HydrophobicContact CB-CD2 3.89Å; Y26-F29 PolarHBondContact O-N 3.2Å; F27-F29 PolarHBondContact O-N 2.63Å; F29-A31 PolarHBondContact O-N 2.72Å; F29-S32 PolarHBondContact O-N 3.2Å; F29-S32 VanDerWaalsContact O-N 3.13Å; F29-M34 HydrophobicContact CD2-CE 4.27Å; F29-M34 HydrophobicContact CE2-CB 3.94Å; F29-M34 HydrophobicContact CE2-CE 3.48Å; F29-M34 VanDerWaalsContact CE2-CE 3.48Å; F29-M34 HydrophobicContact CE2-SD 4.46Å; F29-M34 HydrophobicContact CZ-CB 3.65Å; F29-M34 HydrophobicContact CZ-CE 4.19Å; F29-M53 HydrophobicContact CD1-CB 3.92Å; F29-M53 HydrophobicContact CD1-CE 3.05Å; F29-M53 HydrophobicContact CD1-CG 3.75Å; F29-M53 HydrophobicContact CD1-SD 3.17Å; F29-M53 WeakPolarHBondContact CD1-SD 3.25Å; F29-M53 HydrophobicContact CE1-CB 3.71Å; F29-M53 HydrophobicContact CE1-CE 3.01Å; F29-M53 HydrophobicContact CE1-CG 3.4Å; F29-M53 VanDerWaalsContact CE1-CG 3.4Å; F29-M53 HydrophobicContact CE1-SD 3.4Å; F29-M53 WeakPolarHBondContact CE1-SD 3.08Å; F29-M53 HydrophobicContact CG-CE 3.89Å; F29-M53 HydrophobicContact CG-SD 4.3Å; F29-M53 HydrophobicContact CZ-CE 3.81Å; F29-R98 HydrophobicContact CE2-CG 4.22Å
30	M	67.9	Low	85.1	Confident	76 Å²	76	50 Å²	50	37%	0.374	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-51.8	-41	-168.8	-60.1	-164	80.2	0	0	113.5	A28 Y54 T74	A28-M30 PolarHBondContact O-N 2.84Å; M30-Y54 WeakPolarHBondContact O-CA 3.42Å; M30-Y54 WeakPolarHBondContact O-CB 3.23Å; M30-Y54 PolarHBondContact O-N 2.77Å; M30-T74 HydrophobicContact CE-CG2 4.04Å
31	A	71.8	Confident	84.9	Confident	84 Å²	84	54.7 Å²	54.7	69%	0.694	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-90.9	-3.4	-173	0	0	0	0	0	115.9	F29	F29-A31 PolarHBondContact O-N 2.72Å
32	S	81.5	Confident	84.9	Confident	49 Å²	49	57.5 Å²	57.5	34%	0.343	33%	0.333	S	S	.	.	S	Bend	trans	-117.8	151	176.3	-33.6	0	0	0	0	112.1	F29 R98	F29-S32 PolarHBondContact O-N 3.2Å; F29-S32 VanDerWaalsContact O-N 3.13Å; S32-R98 PolarHBondContact OG-NH2 2.84Å
33	A	88.5	Confident	84.9	Confident	21 Å²	21	62.5 Å²	62.5	17%	0.174	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	141.5	176	0	0	0	0	0	111.6	F51 T52	A33-F51 CarbonylContact C-O 3.6Å; A33-F51 WeakPolarHBondContact CA-O 3.42Å; A33-T52 WeakPolarHBondContact CB-OG1 3.28Å
34	M	91.9	Very high	85.1	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	126.6	157.2	-175.3	65.4	77	0	0	108.2	L4 C22 F29 S50 F51 A79 C96 A97 R98	L4-M34 HydrophobicContact CD1-SD 4.41Å; L4-M34 HydrophobicContact CD2-CE 3.88Å; C22-M34 HydrophobicContact CB-CE 4.28Å; C22-M34 VanDerWaalsContact SG-CE 3.5Å; F29-M34 HydrophobicContact CD2-CE 4.27Å; F29-M34 HydrophobicContact CE2-CB 3.94Å; F29-M34 HydrophobicContact CE2-CE 3.48Å; F29-M34 VanDerWaalsContact CE2-CE 3.48Å; F29-M34 HydrophobicContact CE2-SD 4.46Å; F29-M34 HydrophobicContact CZ-CB 3.65Å; F29-M34 HydrophobicContact CZ-CE 4.19Å; M34-S50 CarbonylContact O-C 3.56Å; M34-S50 WeakPolarHBondContact O-CA 3.4Å; M34-S50 WeakPolarHBondContact O-CB 3.29Å; M34-F51 PolarHBondContact N-O 3.19Å; M34-F51 PolarHBondContact O-N 2.85Å; M34-A79 HydrophobicContact CB-CB 4.03Å; M34-A79 HydrophobicContact CE-CB 4.17Å; M34-A79 HydrophobicContact CG-CB 3.85Å; M34-C96 HydrophobicContact CG-CB 4.21Å; M34-C96 HydrophobicContact SD-CB 3.71Å; M34-A97 VanDerWaalsContact SD-O 3.38Å; M34-R98 HydrophobicContact CE-CG 3.97Å; M34-R98 HydrophobicContact SD-CG 3.76Å
35	H	95.5	Very high	85.6	Confident	72 Å²	72	66.2 Å²	66.2	33%	0.333	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	144.3	172.8	-62.7	-99.9	0	0	0	110	W47 G49 C96 A97	H35-W47 AromaticContact ND1-NE1 3.38Å; H35-W47 PolarHBondContact ND1-NE1 3.1Å; H35-G49 WeakPolarHBondContact CA-O 3.5Å; H35-C96 CarbonylContact O-C 3.58Å; H35-C96 VanDerWaalsContact O-CA 3.24Å; H35-C96 WeakPolarHBondContact O-CA 3.4Å; H35-A97 HydrophobicContact CB-CB 4.42Å; H35-A97 PolarHBondContact N-O 3.28Å; H35-A97 PolarHBondContact O-N 3.4Å
36	W	98.1	Very high	86.4	Confident	1 Å²	1	65 Å²	65	0%	0.004	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.8	171.1	-69.9	92.4	0	0	0	110.1	L20 C22 I48 G49 L70 A79 M81 Y95 C96	L20-W36 HydrophobicContact CB-CH2 4.17Å; L20-W36 HydrophobicContact CB-CZ3 4.09Å; C22-W36 HydrophobicContact CB-CH2 3.69Å; C22-W36 HydrophobicContact CB-CZ2 3.86Å; W36-I48 HydrophobicContact CB-CB 4.09Å; W36-I48 HydrophobicContact CB-CD1 4.23Å; W36-I48 HydrophobicContact CB-CG2 4.43Å; W36-I48 WeakPolarHBondContact O-CB 3.48Å; W36-I48 PolarHBondContact O-N 2.59Å; W36-G49 PolarHBondContact N-O 3.39Å; W36-L70 HydrophobicContact CG-CD2 4.09Å; W36-A79 HydrophobicContact CZ2-CB 4.39Å; W36-M81 HydrophobicContact CB-SD 3.79Å; W36-M81 HydrophobicContact CD2-CB 3.66Å; W36-M81 HydrophobicContact CD2-CE 4.37Å; W36-M81 HydrophobicContact CD2-CG 4.42Å; W36-M81 HydrophobicContact CD2-SD 3.99Å; W36-M81 HydrophobicContact CE3-CB 3.98Å; W36-M81 HydrophobicContact CE3-CE 3.83Å; W36-M81 HydrophobicContact CE3-SD 4.05Å; W36-M81 HydrophobicContact CG-CB 4.12Å; W36-M81 HydrophobicContact CG-SD 3.9Å; W36-M81 HydrophobicContact CH2-CB 4.17Å; W36-M81 HydrophobicContact CZ2-CB 3.88Å; W36-M81 HydrophobicContact CZ3-CB 4.22Å; W36-M81 HydrophobicContact CZ3-CE 4.31Å; W36-Y95 WeakPolarHBondContact CA-O 3.39Å; W36-C96 HydrophobicContact CD2-CB 4.32Å; W36-C96 HydrophobicContact CE3-CB 4.11Å; W36-C96 HydrophobicContact CH2-CB 4.21Å; W36-C96 HydrophobicContact CZ2-CB 4.38Å; W36-C96 HydrophobicContact CZ3-CB 4.06Å
37	V	98.5	Very high	87.7	Confident	21 Å²	21	62.2 Å²	62.2	13%	0.127	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	134.8	-174.2	-177.2	0	0	0	0	109.3	L45 E46 Y94 Y95	V37-L45 HydrophobicContact CG1-CB 3.73Å; V37-L45 HydrophobicContact CG1-CD1 4.46Å; V37-L45 HydrophobicContact CG1-CD2 3.92Å; V37-L45 HydrophobicContact CG1-CG 4.23Å; V37-E46 CarbonylContact C-O 3.4Å; V37-E46 WeakPolarHBondContact CA-O 3.25Å; V37-E46 WeakPolarHBondContact CG1-O 3.3Å; V37-Y94 CarbonylContact O-C 3.57Å; V37-Y94 WeakPolarHBondContact O-CA 3.42Å; V37-Y95 PolarHBondContact N-O 3.06Å; V37-Y95 PolarHBondContact O-N 3Å
38	K	98.2	Very high	89.5	Confident	10 Å²	10	55.1 Å²	55.1	4%	0.043	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	137.7	172.2	-174	178	-179.7	178.1	0	109.6	E46 I48 F64 E89 D90 A92 Y94	K38-E46 HydrophobicContact CB-CB 4.37Å; K38-E46 PolarHBondContact N-O 3.38Å; K38-E46 PolarHBondContact O-N 2.86Å; K38-I48 HydrophobicContact CB-CD1 3.99Å; K38-I48 HydrophobicContact CB-CG1 4.12Å; K38-F64 HydrophobicContact CB-CZ 4.21Å; K38-F64 HydrophobicContact CD-CE1 4.11Å; K38-F64 HydrophobicContact CD-CZ 3.62Å; K38-E89 VanDerWaalsContact CE-O 3.32Å; K38-E89 WeakPolarHBondContact CE-O 3.4Å; K38-E89 PolarHBondContact NZ-O 3.01Å; K38-D90 IonicContact NZ-OD1 3.2Å; K38-D90 PolarHBondContact NZ-OD1 3.19Å; K38-A92 HydrophobicContact CD-CB 4.19Å; K38-A92 HydrophobicContact CG-CB 3.51Å; K38-Y94 HydrophobicContact CB-CD1 4.14Å; K38-Y94 HydrophobicContact CB-CE1 3.87Å; K38-Y94 HydrophobicContact CD-CE1 3.92Å; K38-Y94 WeakPolarHBondContact CE-OH 3.22Å; K38-Y94 HydrophobicContact CG-CD1 4.23Å; K38-Y94 HydrophobicContact CG-CE1 3.64Å
39	Q	98	Very high	91.2	Very high	67 Å²	67	52.8 Å²	52.8	31%	0.313	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	114	170.2	-170.5	-179.1	30.9	0	0	110.3	L45 A92 V93 Y95	Q39-L45 HydrophobicContact CB-CD2 3.81Å; Q39-L45 HydrophobicContact CG-CD2 3.9Å; Q39-A92 WeakPolarHBondContact O-CA 3.24Å; Q39-A92 WeakPolarHBondContact O-CB 3.41Å; Q39-V93 PolarHBondContact N-O 2.99Å; Q39-V93 PolarHBondContact O-N 3.43Å; Q39-Y95 HydrophobicContact CB-CD2 4.34Å; Q39-Y95 HydrophobicContact CB-CE2 3.7Å; Q39-Y95 VanDerWaalsContact OE1-CE2 3.23Å; Q39-Y95 PolarHBondContact OE1-OH 2.64Å
40	R	96.3	Very high	93	Very high	77 Å²	77	53.1 Å²	53.1	29%	0.291	32%	0.321	S	S	.	.			trans	-88.2	148.3	171.6	-72.1	-177.3	-74.2	172.1	-6.1	110.6	G42 H43 A92	R40-G42 PolarHBondContact O-N 3.46Å; R40-H43 HydrophobicContact CB-CB 4.02Å; R40-H43 PolarHBondContact O-N 2.74Å; R40-A92 HydrophobicContact CG-CB 3.96Å
41	P	95.1	Very high	94.2	Very high	116 Å²	116	49.9 Å²	49.9	75%	0.753	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	128.2	171.2	-24.5	34.1	0	0	0	111.1	H43	P41-H43 VanDerWaalsContact C-N 3.25Å; P41-H43 PolarHBondContact O-CD2 2.88Å; P41-H43 PolarHBondContact O-N 2.85Å
42	G	95.7	Very high	95	Very high	90 Å²	90	47.4 Å²	47.4	93%	0.928	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	1.5	-179.2	0	0	0	0	0	115.8	R40	R40-G42 PolarHBondContact O-N 3.46Å
43	H	94.7	Very high	95	Very high	106 Å²	106	45.8 Å²	45.8	49%	0.491	27%	0.268	S	S	.	.	S	Bend	trans	-114.5	161.5	176.2	-68.7	-95.7	0	0	0	111.9	R40 P41	R40-H43 HydrophobicContact CB-CB 4.02Å; R40-H43 PolarHBondContact O-N 2.74Å; P41-H43 VanDerWaalsContact C-N 3.25Å; P41-H43 PolarHBondContact O-CD2 2.88Å; P41-H43 PolarHBondContact O-N 2.85Å
44	G	95.5	Very high	94.7	Very high	59 Å²	59	53.4 Å²	53.4	61%	0.608	29%	0.293	S	S	*	.			trans	-68.9	176.3	170.2	0	0	0	0	0	112.9
45	L	97.7	Very high	94.5	Very high	121 Å²	121	56.8 Å²	56.8	63%	0.634	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	129.9	171	-63.6	-178.8	0	0	0	110	V37 Q39	V37-L45 HydrophobicContact CG1-CB 3.73Å; V37-L45 HydrophobicContact CG1-CD1 4.46Å; V37-L45 HydrophobicContact CG1-CD2 3.92Å; V37-L45 HydrophobicContact CG1-CG 4.23Å; Q39-L45 HydrophobicContact CB-CD2 3.81Å; Q39-L45 HydrophobicContact CG-CD2 3.9Å
46	E	97.9	Very high	94.1	Very high	47 Å²	47	59.1 Å²	59.1	22%	0.22	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	117.1	174.9	-178.5	177.2	-160.6	0	0	108.7	V37 K38 N63 F64	V37-E46 CarbonylContact C-O 3.4Å; V37-E46 WeakPolarHBondContact CA-O 3.25Å; V37-E46 WeakPolarHBondContact CG1-O 3.3Å; K38-E46 HydrophobicContact CB-CB 4.37Å; K38-E46 PolarHBondContact N-O 3.38Å; K38-E46 PolarHBondContact O-N 2.86Å; E46-N63 PolarHBondContact OE1-ND2 2.98Å; E46-F64 HydrophobicContact CG-CE2 3.91Å
47	W	98.3	Very high	93.7	Very high	89 Å²	89	61.3 Å²	61.3	34%	0.337	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	129.3	178.5	-179.5	72.4	0	0	0	110.5	H35 G49 E59 S61	H35-W47 AromaticContact ND1-NE1 3.38Å; H35-W47 PolarHBondContact ND1-NE1 3.1Å; W47-G49 VanDerWaalsContact CE2-C 3.45Å; W47-G49 VanDerWaalsContact CE2-CA 3.47Å; W47-G49 PolarHBondContact NE1-O 2.89Å; W47-G49 VanDerWaalsContact NE1-O 3.1Å; W47-E59 HydrophobicContact CH2-CB 3.86Å; W47-E59 HydrophobicContact CZ2-CB 4.4Å; W47-S61 VanDerWaalsContact O-CB 3.25Å; W47-S61 WeakPolarHBondContact O-CB 3.41Å; W47-S61 PolarHBondContact O-OG 3.26Å
48	I	98.6	Very high	93.6	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-49.1	-178.6	-64.4	171.6	0	0	0	110.2	W36 K38 Y60 S61 F64 A68 M81 Y94	W36-I48 HydrophobicContact CB-CB 4.09Å; W36-I48 HydrophobicContact CB-CD1 4.23Å; W36-I48 HydrophobicContact CB-CG2 4.43Å; W36-I48 WeakPolarHBondContact O-CB 3.48Å; W36-I48 PolarHBondContact O-N 2.59Å; K38-I48 HydrophobicContact CB-CD1 3.99Å; K38-I48 HydrophobicContact CB-CG1 4.12Å; I48-Y60 WeakPolarHBondContact O-CA 3Å; I48-S61 PolarHBondContact O-N 3.28Å; I48-S61 PolarHBondContact O-OG 2.76Å; I48-F64 HydrophobicContact CB-CD1 4.32Å; I48-F64 HydrophobicContact CB-CD2 4.34Å; I48-F64 HydrophobicContact CB-CG 4.18Å; I48-F64 HydrophobicContact CD1-CE1 4.19Å; I48-F64 HydrophobicContact CD1-CZ 4.48Å; I48-F64 HydrophobicContact CG1-CD1 3.99Å; I48-F64 HydrophobicContact CG1-CD2 4.19Å; I48-F64 HydrophobicContact CG1-CE1 3.78Å; I48-F64 HydrophobicContact CG1-CE2 3.98Å; I48-F64 HydrophobicContact CG1-CG 4.18Å; I48-F64 HydrophobicContact CG1-CZ 3.77Å; I48-F64 HydrophobicContact CG2-CB 3.86Å; I48-F64 HydrophobicContact CG2-CD1 3.76Å; I48-F64 HydrophobicContact CG2-CD2 4.37Å; I48-F64 HydrophobicContact CG2-CE1 4.41Å; I48-F64 HydrophobicContact CG2-CG 3.72Å; I48-A68 HydrophobicContact CG2-CB 3.83Å; I48-M81 HydrophobicContact CD1-CE 3.96Å; I48-M81 HydrophobicContact CD1-SD 3.54Å; I48-M81 VanDerWaalsContact CD1-SD 3.54Å; I48-M81 HydrophobicContact CG2-SD 3.89Å; I48-Y94 HydrophobicContact CD1-CD1 3.65Å; I48-Y94 HydrophobicContact CD1-CE1 3.84Å
49	G	98.2	Very high	93.5	Very high	0 Å²	0	69 Å²	69	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169	178.3	-170.1	0	0	0	0	0	112.3	H35 W36 W47 E59	H35-G49 WeakPolarHBondContact CA-O 3.5Å; W36-G49 PolarHBondContact N-O 3.39Å; W47-G49 VanDerWaalsContact CE2-C 3.45Å; W47-G49 VanDerWaalsContact CE2-CA 3.47Å; W47-G49 PolarHBondContact NE1-O 2.89Å; W47-G49 VanDerWaalsContact NE1-O 3.1Å; G49-E59 CarbonylContact C-O 3.55Å; G49-E59 WeakPolarHBondContact CA-O 2.97Å
50	S	95.4	Very high	93.5	Very high	10 Å²	10	68.3 Å²	68.3	7%	0.07	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	151.3	173.7	60.8	0	0	0	0	112.4	M34 T58 E59	M34-S50 CarbonylContact O-C 3.56Å; M34-S50 WeakPolarHBondContact O-CA 3.4Å; M34-S50 WeakPolarHBondContact O-CB 3.29Å; S50-T58 WeakPolarHBondContact O-CA 2.85Å; S50-E59 PolarHBondContact N-O 3.18Å; S50-E59 PolarHBondContact O-N 3.06Å
51	F	92.9	Very high	93.6	Very high	8 Å²	8	65.8 Å²	65.8	4%	0.035	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	128	179.4	-179.1	-84	0	0	0	110.6	A33 M34 M53 D56 A57 T58 L70 A72	A33-F51 CarbonylContact C-O 3.6Å; A33-F51 WeakPolarHBondContact CA-O 3.42Å; M34-F51 PolarHBondContact N-O 3.19Å; M34-F51 PolarHBondContact O-N 2.85Å; F51-M53 HydrophobicContact CD1-CG 4.3Å; F51-M53 HydrophobicContact CE1-CB 4.29Å; F51-M53 HydrophobicContact CE1-CG 3.79Å; F51-D56 WeakPolarHBondContact CE2-OD1 3.44Å; F51-D56 WeakPolarHBondContact CZ-OD1 2.95Å; F51-A57 WeakPolarHBondContact CA-O 3.35Å; F51-T58 HydrophobicContact CB-CG2 4.47Å; F51-T58 HydrophobicContact CD2-CG2 3.36Å; F51-T58 HydrophobicContact CE2-CG2 3.98Å; F51-T58 HydrophobicContact CG-CG2 4.34Å; F51-L70 HydrophobicContact CB-CB 3.85Å; F51-L70 HydrophobicContact CB-CD1 4.32Å; F51-L70 HydrophobicContact CD2-CB 4.17Å; F51-L70 WeakPolarHBondContact CD2-O 3.24Å; F51-L70 HydrophobicContact CG-CB 4.38Å; F51-A72 HydrophobicContact CD1-CB 3.84Å; F51-A72 HydrophobicContact CE1-CB 3.42Å; F51-A72 VanDerWaalsContact CE1-CB 3.42Å; F51-A72 HydrophobicContact CZ-CB 4.24Å
52	T	89.1	Confident	93.7	Very high	31 Å²	31	66.9 Å²	66.9	19%	0.19	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115.9	175.5	-56.5	0	0	0	0	110.4	A33 Y54 D56 A57	A33-T52 WeakPolarHBondContact CB-OG1 3.28Å; T52-Y54 PolarHBondContact O-N 2.92Å; T52-D56 WeakPolarHBondContact O-CA 3.32Å; T52-D56 PolarHBondContact O-N 3.02Å; T52-A57 PolarHBondContact N-O 2.92Å; T52-A57 PolarHBondContact O-N 3.37Å
53	M	80.9	Confident	93.6	Very high	16 Å²	16	68.1 Å²	68.1	8%	0.079	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-37.5	-174.4	-95.2	-175.4	-135.6	0	0	114.4	F29 F51 A72 T74	F29-M53 HydrophobicContact CD1-CB 3.92Å; F29-M53 HydrophobicContact CD1-CE 3.05Å; F29-M53 HydrophobicContact CD1-CG 3.75Å; F29-M53 HydrophobicContact CD1-SD 3.17Å; F29-M53 WeakPolarHBondContact CD1-SD 3.25Å; F29-M53 HydrophobicContact CE1-CB 3.71Å; F29-M53 HydrophobicContact CE1-CE 3.01Å; F29-M53 HydrophobicContact CE1-CG 3.4Å; F29-M53 VanDerWaalsContact CE1-CG 3.4Å; F29-M53 HydrophobicContact CE1-SD 3.4Å; F29-M53 WeakPolarHBondContact CE1-SD 3.08Å; F29-M53 HydrophobicContact CG-CE 3.89Å; F29-M53 HydrophobicContact CG-SD 4.3Å; F29-M53 HydrophobicContact CZ-CE 3.81Å; F51-M53 HydrophobicContact CD1-CG 4.3Å; F51-M53 HydrophobicContact CE1-CB 4.29Å; F51-M53 HydrophobicContact CE1-CG 3.79Å; M53-A72 HydrophobicContact CE-CB 3.41Å; M53-A72 VanDerWaalsContact CE-CB 3.41Å; M53-A72 HydrophobicContact CG-CB 3.26Å; M53-A72 HydrophobicContact SD-CB 3.74Å; M53-T74 HydrophobicContact CB-CG2 4.24Å; M53-T74 HydrophobicContact CG-CG2 4.06Å; M53-T74 HydrophobicContact SD-CG2 3.79Å
54	Y	82.1	Confident	93.7	Very high	180 Å²	180	63.3 Å²	63.3	71%	0.706	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-39.8	-176.1	178.8	-101.4	0	0	0	113.1	M30 T52	M30-Y54 WeakPolarHBondContact O-CA 3.42Å; M30-Y54 WeakPolarHBondContact O-CB 3.23Å; M30-Y54 PolarHBondContact O-N 2.77Å; T52-Y54 PolarHBondContact O-N 2.92Å
55	S	86.8	Confident	93.7	Very high	72 Å²	72	65.8 Å²	65.8	50%	0.503	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-1.7	-175.6	59.5	0	0	0	0	113.8	A57	S55-A57 PolarHBondContact O-N 3.24Å; S55-A57 VanDerWaalsContact O-N 3.09Å; S55-A57 WeakPolarHBondContact OG-CB 3.47Å
56	D	87.2	Confident	93.6	Very high	121 Å²	121	63.7 Å²	63.7	65%	0.647	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	30.3	-170.5	-158.6	29.1	0	0	0	112.5	F51 T52	F51-D56 WeakPolarHBondContact CE2-OD1 3.44Å; F51-D56 WeakPolarHBondContact CZ-OD1 2.95Å; T52-D56 WeakPolarHBondContact O-CA 3.32Å; T52-D56 PolarHBondContact O-N 3.02Å
57	A	91.5	Very high	93.6	Very high	46 Å²	46	63.6 Å²	63.6	38%	0.38	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	131.5	-175.2	0	0	0	0	0	109.9	F51 T52 S55	F51-A57 WeakPolarHBondContact CA-O 3.35Å; T52-A57 PolarHBondContact N-O 2.92Å; T52-A57 PolarHBondContact O-N 3.37Å; S55-A57 PolarHBondContact O-N 3.24Å; S55-A57 VanDerWaalsContact O-N 3.09Å; S55-A57 WeakPolarHBondContact OG-CB 3.47Å
58	T	94.8	Very high	93.6	Very high	63 Å²	63	59.5 Å²	59.5	39%	0.387	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.2	176.2	44.3	0	0	0	0	111.7	S50 F51 Y60 L70	S50-T58 WeakPolarHBondContact O-CA 2.85Å; F51-T58 HydrophobicContact CB-CG2 4.47Å; F51-T58 HydrophobicContact CD2-CG2 3.36Å; F51-T58 HydrophobicContact CE2-CG2 3.98Å; F51-T58 HydrophobicContact CG-CG2 4.34Å; T58-Y60 HydrophobicContact CG2-CE2 4.27Å; T58-L70 HydrophobicContact CG2-CB 4.3Å
59	E	96.3	Very high	93.5	Very high	129 Å²	129	62.9 Å²	62.9	60%	0.603	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.2	167.2	-63.7	-176.8	-169.9	0	0	108.8	W47 G49 S50	W47-E59 HydrophobicContact CH2-CB 3.86Å; W47-E59 HydrophobicContact CZ2-CB 4.4Å; G49-E59 CarbonylContact C-O 3.55Å; G49-E59 WeakPolarHBondContact CA-O 2.97Å; S50-E59 PolarHBondContact N-O 3.18Å; S50-E59 PolarHBondContact O-N 3.06Å
60	Y	98.5	Very high	93.5	Very high	54 Å²	54	63.2 Å²	63.2	21%	0.212	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.2	-179.4	-65.1	-87	0	0	0	109.6	I48 T58 A68 L70	I48-Y60 WeakPolarHBondContact O-CA 3Å; T58-Y60 HydrophobicContact CG2-CE2 4.27Å; Y60-A68 HydrophobicContact CD1-CB 4.26Å; Y60-A68 HydrophobicContact CE1-CB 4Å; Y60-A68 WeakPolarHBondContact CE1-O 3.42Å; Y60-L70 HydrophobicContact CE1-CD1 4.1Å; Y60-L70 HydrophobicContact CE1-CG 3.68Å; Y60-L70 PolarHBondContact OH-N 3.29Å
61	S	97.9	Very high	93.4	Very high	24 Å²	24	65.4 Å²	65.4	17%	0.168	36%	0.357	C	S	.	.			trans	-71.4	153.8	160.3	57.2	0	0	0	0	110.5	W47 I48 N63 F64 K65	W47-S61 VanDerWaalsContact O-CB 3.25Å; W47-S61 WeakPolarHBondContact O-CB 3.41Å; W47-S61 PolarHBondContact O-OG 3.26Å; I48-S61 PolarHBondContact O-N 3.28Å; I48-S61 PolarHBondContact O-OG 2.76Å; S61-N63 VanDerWaalsContact C-N 3.25Å; S61-N63 PolarHBondContact O-N 3.23Å; S61-F64 PolarHBondContact O-N 3.21Å; S61-F64 VanDerWaalsContact OG-CD2 3.23Å; S61-F64 WeakPolarHBondContact OG-CD2 3.34Å; S61-K65 PolarHBondContact O-N 3.05Å
62	E	96.9	Very high	93.3	Very high	139 Å²	139	66.4 Å²	66.4	65%	0.65	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-55.6	-39.1	-174.9	-62.5	-56.6	145.8	0	0	112.8	F64 K65	E62-F64 PolarHBondContact O-N 2.01Å; E62-K65 PolarHBondContact O-N 2.97Å; E62-K65 IonicContact OE1-NZ 3.83Å; E62-K65 PolarHBondContact OE1-NZ 2.88Å; E62-K65 WeakPolarHBondContact OE2-CD 3.44Å; E62-K65 IonicContact OE2-NZ 2.61Å; E62-K65 PolarHBondContact OE2-NZ 2.86Å
63	N	94	Very high	93.3	Very high	116 Å²	116	68 Å²	68	62%	0.62	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-65.2	-19.7	-179.9	-67.4	-18.2	0	0	0	113.9	E46 S61	E46-N63 PolarHBondContact OE1-ND2 2.98Å; S61-N63 VanDerWaalsContact C-N 3.25Å; S61-N63 PolarHBondContact O-N 3.23Å
64	F	97.5	Very high	93.5	Very high	5 Å²	5	70.5 Å²	70.5	2%	0.022	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-113	-4.8	-175.4	-67.5	-91.3	0	0	0	113.6	K38 E46 I48 S61 E62 G66 K67 A68 L83	K38-F64 HydrophobicContact CB-CZ 4.21Å; K38-F64 HydrophobicContact CD-CE1 4.11Å; K38-F64 HydrophobicContact CD-CZ 3.62Å; E46-F64 HydrophobicContact CG-CE2 3.91Å; I48-F64 HydrophobicContact CB-CD1 4.32Å; I48-F64 HydrophobicContact CB-CD2 4.34Å; I48-F64 HydrophobicContact CB-CG 4.18Å; I48-F64 HydrophobicContact CD1-CE1 4.19Å; I48-F64 HydrophobicContact CD1-CZ 4.48Å; I48-F64 HydrophobicContact CG1-CD1 3.99Å; I48-F64 HydrophobicContact CG1-CD2 4.19Å; I48-F64 HydrophobicContact CG1-CE1 3.78Å; I48-F64 HydrophobicContact CG1-CE2 3.98Å; I48-F64 HydrophobicContact CG1-CG 4.18Å; I48-F64 HydrophobicContact CG1-CZ 3.77Å; I48-F64 HydrophobicContact CG2-CB 3.86Å; I48-F64 HydrophobicContact CG2-CD1 3.76Å; I48-F64 HydrophobicContact CG2-CD2 4.37Å; I48-F64 HydrophobicContact CG2-CE1 4.41Å; I48-F64 HydrophobicContact CG2-CG 3.72Å; S61-F64 PolarHBondContact O-N 3.21Å; S61-F64 VanDerWaalsContact OG-CD2 3.23Å; S61-F64 WeakPolarHBondContact OG-CD2 3.34Å; E62-F64 PolarHBondContact O-N 2.01Å; F64-G66 PolarHBondContact O-N 2.93Å; F64-K67 PolarHBondContact O-N 3.48Å; F64-A68 HydrophobicContact CB-CB 4.07Å; F64-A68 HydrophobicContact CD1-CB 4.41Å; F64-A68 PolarHBondContact O-N 2.9Å; F64-L83 HydrophobicContact CD1-CD2 4.17Å; F64-L83 HydrophobicContact CE1-CD2 4.47Å
65	K	95.9	Very high	93.6	Very high	111 Å²	111	66.8 Å²	66.8	48%	0.483	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	125.6	169.8	-76	-177.4	-174.3	166.2	0	110	S61 E62 K67	S61-K65 PolarHBondContact O-N 3.05Å; E62-K65 PolarHBondContact O-N 2.97Å; E62-K65 IonicContact OE1-NZ 3.83Å; E62-K65 PolarHBondContact OE1-NZ 2.88Å; E62-K65 WeakPolarHBondContact OE2-CD 3.44Å; E62-K65 IonicContact OE2-NZ 2.61Å; E62-K65 PolarHBondContact OE2-NZ 2.86Å; K65-K67 PolarHBondContact O-N 2.86Å
66	G	95.3	Very high	93.7	Very high	76 Å²	76	65.2 Å²	65.2	78%	0.784	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	-11.8	-177.4	0	0	0	0	0	115.2	F64	F64-G66 PolarHBondContact O-N 2.93Å
67	K	96.7	Very high	93.6	Very high	46 Å²	46	60.2 Å²	60.2	20%	0.2	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-40.7	175.9	-172.1	170.3	-165.3	169.4	0	112.6	F64 K65 L83 S84 D90	F64-K67 PolarHBondContact O-N 3.48Å; K65-K67 PolarHBondContact O-N 2.86Å; K67-L83 WeakPolarHBondContact O-CA 3.11Å; K67-S84 PolarHBondContact O-N 2.83Å; K67-S84 PolarHBondContact O-OG 2.98Å; K67-D90 VanDerWaalsContact CE-CG 3.48Å; K67-D90 VanDerWaalsContact CE-OD1 3.28Å; K67-D90 WeakPolarHBondContact CE-OD1 3.32Å; K67-D90 WeakPolarHBondContact CE-OD2 3.42Å; K67-D90 IonicContact NZ-OD1 2.88Å; K67-D90 PolarHBondContact NZ-OD1 3.09Å; K67-D90 IonicContact NZ-OD2 2.64Å; K67-D90 PolarHBondContact NZ-OD2 2.79Å
68	A	98.4	Very high	93.6	Very high	3 Å²	3	58.5 Å²	58.5	3%	0.025	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	141.3	177.5	0	0	0	0	0	111	I48 Y60 F64 E82 L83	I48-A68 HydrophobicContact CG2-CB 3.83Å; Y60-A68 HydrophobicContact CD1-CB 4.26Å; Y60-A68 HydrophobicContact CE1-CB 4Å; Y60-A68 WeakPolarHBondContact CE1-O 3.42Å; F64-A68 HydrophobicContact CB-CB 4.07Å; F64-A68 HydrophobicContact CD1-CB 4.41Å; F64-A68 PolarHBondContact O-N 2.9Å; A68-E82 CarbonylContact C-O 3.54Å; A68-E82 VanDerWaalsContact CA-O 3.32Å; A68-E82 WeakPolarHBondContact CA-O 3.37Å; A68-L83 HydrophobicContact CB-CD2 3.73Å
69	T	98.3	Very high	93.5	Very high	71 Å²	71	55.5 Å²	55.5	44%	0.436	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	116.7	168.4	-59.4	0	0	0	0	108.4	T71 M81 E82	T69-T71 HydrophobicContact CG2-CG2 4.16Å; T69-M81 WeakPolarHBondContact O-CA 3.46Å; T69-E82 PolarHBondContact N-O 2.81Å; T69-E82 PolarHBondContact O-N 3.1Å
70	L	97	Very high	93.5	Very high	6 Å²	6	52.1 Å²	52.1	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.3	177.2	-51.6	-175.5	0	0	0	110.2	W36 F51 T58 Y60 Y80 M81	W36-L70 HydrophobicContact CG-CD2 4.09Å; F51-L70 HydrophobicContact CB-CB 3.85Å; F51-L70 HydrophobicContact CB-CD1 4.32Å; F51-L70 HydrophobicContact CD2-CB 4.17Å; F51-L70 WeakPolarHBondContact CD2-O 3.24Å; F51-L70 HydrophobicContact CG-CB 4.38Å; T58-L70 HydrophobicContact CG2-CB 4.3Å; Y60-L70 HydrophobicContact CE1-CD1 4.1Å; Y60-L70 HydrophobicContact CE1-CG 3.68Å; Y60-L70 PolarHBondContact OH-N 3.29Å; L70-Y80 WeakPolarHBondContact CA-O 3.45Å; L70-M81 HydrophobicContact CD2-CB 3.71Å; L70-M81 HydrophobicContact CD2-CG 3.58Å; L70-M81 HydrophobicContact CD2-SD 4.17Å
71	T	94	Very high	93.5	Very high	56 Å²	56	49.6 Å²	49.6	34%	0.344	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	174.1	177.6	56.3	0	0	0	0	110.3	T69 A79 Y80	T69-T71 HydrophobicContact CG2-CG2 4.16Å; T71-A79 CarbonylContact O-C 3.6Å; T71-Y80 PolarHBondContact N-O 2.61Å; T71-Y80 PolarHBondContact O-N 3.35Å
72	A	90.3	Very high	93.5	Very high	30 Å²	30	51.9 Å²	51.9	25%	0.248	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	154	173.8	0	0	0	0	0	112.6	F51 M53 T78	F51-A72 HydrophobicContact CD1-CB 3.84Å; F51-A72 HydrophobicContact CE1-CB 3.42Å; F51-A72 VanDerWaalsContact CE1-CB 3.42Å; F51-A72 HydrophobicContact CZ-CB 4.24Å; M53-A72 HydrophobicContact CE-CB 3.41Å; M53-A72 VanDerWaalsContact CE-CB 3.41Å; M53-A72 HydrophobicContact CG-CB 3.26Å; M53-A72 HydrophobicContact SD-CB 3.74Å; A72-T78 CarbonylContact C-O 3.5Å; A72-T78 WeakPolarHBondContact CA-O 3.11Å
73	N	89.2	Confident	93.6	Very high	63 Å²	63	45.2 Å²	45.2	34%	0.337	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	113.3	166.3	-177.2	-27.9	0	0	0	108.9	S75 S76 S77 T78 Y80	N73-S75 PolarHBondContact OD1-N 2.97Å; N73-S75 PolarHBondContact OD1-OG 2.82Å; N73-S76 WeakPolarHBondContact CB-OG 3.42Å; N73-S76 PolarHBondContact OD1-N 2.91Å; N73-S77 PolarHBondContact O-N 2.91Å; N73-T78 PolarHBondContact N-O 2.84Å; N73-T78 PolarHBondContact O-N 2.99Å; N73-Y80 HydrophobicContact CB-CE2 4Å
74	T	84	Confident	93.7	Very high	69 Å²	69	41.6 Å²	41.6	42%	0.423	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-38.7	-178	51.1	0	0	0	0	112.4	M30 M53 S76 S77	M30-T74 HydrophobicContact CE-CG2 4.04Å; M53-T74 HydrophobicContact CB-CG2 4.24Å; M53-T74 HydrophobicContact CG-CG2 4.06Å; M53-T74 HydrophobicContact SD-CG2 3.79Å; T74-S76 VanDerWaalsContact C-N 3.31Å; T74-S76 PolarHBondContact O-N 2.85Å; T74-S77 PolarHBondContact O-N 2.99Å
75	S	85.3	Confident	93.7	Very high	103 Å²	103	45.5 Å²	45.5	72%	0.72	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-31.8	-177.8	70.2	0	0	0	0	112.5	N73	N73-S75 PolarHBondContact OD1-N 2.97Å; N73-S75 PolarHBondContact OD1-OG 2.82Å
76	S	87.9	Confident	93.8	Very high	39 Å²	39	40.9 Å²	40.9	27%	0.273	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	0.4	175.5	67.7	0	0	0	0	114.4	N73 T74 T78	N73-S76 WeakPolarHBondContact CB-OG 3.42Å; N73-S76 PolarHBondContact OD1-N 2.91Å; T74-S76 VanDerWaalsContact C-N 3.31Å; T74-S76 PolarHBondContact O-N 2.85Å; S76-T78 PolarHBondContact O-N 2.94Å; S76-T78 PolarHBondContact O-OG1 2.94Å; S76-T78 WeakPolarHBondContact OG-CB 3.41Å; S76-T78 PolarHBondContact OG-OG1 3.19Å
77	S	86.6	Confident	93.9	Very high	15 Å²	15	40.3 Å²	40.3	11%	0.105	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	41.4	-174.1	-60.2	0	0	0	0	112.7	D24 N73 T74	D24-S77 PolarHBondContact N-O 2.99Å; D24-S77 WeakPolarHBondContact O-CB 3.23Å; N73-S77 PolarHBondContact O-N 2.91Å; T74-S77 PolarHBondContact O-N 2.99Å
78	T	91.3	Very high	93.8	Very high	10 Å²	10	42.9 Å²	42.9	6%	0.061	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.3	-175.1	-52.5	0	0	0	0	110.5	K23 A72 N73 S76 Y80	K23-T78 HydrophobicContact CB-CG2 4.38Å; A72-T78 CarbonylContact C-O 3.5Å; A72-T78 WeakPolarHBondContact CA-O 3.11Å; N73-T78 PolarHBondContact N-O 2.84Å; N73-T78 PolarHBondContact O-N 2.99Å; S76-T78 PolarHBondContact O-N 2.94Å; S76-T78 PolarHBondContact O-OG1 2.94Å; S76-T78 WeakPolarHBondContact OG-CB 3.41Å; S76-T78 PolarHBondContact OG-OG1 3.19Å; T78-Y80 HydrophobicContact CG2-CD1 4.44Å; T78-Y80 HydrophobicContact CG2-CE1 3.78Å; T78-Y80 HydrophobicContact CG2-CE2 3.86Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.44Å; T78-Y80 WeakPolarHBondContact CG2-OH 3.34Å; T78-Y80 WeakPolarHBondContact O-CE2 3.46Å
79	A	92.8	Very high	93.6	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.008	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	150.7	168.6	0	0	0	0	0	110.2	S21 C22 M34 W36 T71	S21-A79 CarbonylContact C-O 3.5Å; S21-A79 WeakPolarHBondContact CA-O 3.34Å; C22-A79 PolarHBondContact N-O 2.8Å; C22-A79 PolarHBondContact O-N 2.83Å; M34-A79 HydrophobicContact CB-CB 4.03Å; M34-A79 HydrophobicContact CE-CB 4.17Å; M34-A79 HydrophobicContact CG-CB 3.85Å; W36-A79 HydrophobicContact CZ2-CB 4.39Å; T71-A79 CarbonylContact O-C 3.6Å
80	Y	96.1	Very high	93.5	Very high	58 Å²	58	46 Å²	46	23%	0.227	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	145.4	177.7	-57.2	-87.5	0	0	0	110.5	K19 L20 L70 T71 N73 T78	K19-Y80 HydrophobicContact CG-CD1 4.47Å; L20-Y80 VanDerWaalsContact O-CA 3.24Å; L20-Y80 WeakPolarHBondContact O-CA 3.38Å; L70-Y80 WeakPolarHBondContact CA-O 3.45Å; T71-Y80 PolarHBondContact N-O 2.61Å; T71-Y80 PolarHBondContact O-N 3.35Å; N73-Y80 HydrophobicContact CB-CE2 4Å; T78-Y80 HydrophobicContact CG2-CD1 4.44Å; T78-Y80 HydrophobicContact CG2-CE1 3.78Å; T78-Y80 HydrophobicContact CG2-CE2 3.86Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.44Å; T78-Y80 WeakPolarHBondContact CG2-OH 3.34Å; T78-Y80 WeakPolarHBondContact O-CE2 3.46Å
81	M	98.1	Very high	93.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121.7	167.4	175.7	-179.6	73.8	0	0	108.1	L20 W36 I48 T69 L70 L83 Y94	L20-M81 HydrophobicContact CD1-CE 3.64Å; L20-M81 PolarHBondContact N-O 2.78Å; L20-M81 PolarHBondContact O-N 2.82Å; W36-M81 HydrophobicContact CB-SD 3.79Å; W36-M81 HydrophobicContact CD2-CB 3.66Å; W36-M81 HydrophobicContact CD2-CE 4.37Å; W36-M81 HydrophobicContact CD2-CG 4.42Å; W36-M81 HydrophobicContact CD2-SD 3.99Å; W36-M81 HydrophobicContact CE3-CB 3.98Å; W36-M81 HydrophobicContact CE3-CE 3.83Å; W36-M81 HydrophobicContact CE3-SD 4.05Å; W36-M81 HydrophobicContact CG-CB 4.12Å; W36-M81 HydrophobicContact CG-SD 3.9Å; W36-M81 HydrophobicContact CH2-CB 4.17Å; W36-M81 HydrophobicContact CZ2-CB 3.88Å; W36-M81 HydrophobicContact CZ3-CB 4.22Å; W36-M81 HydrophobicContact CZ3-CE 4.31Å; I48-M81 HydrophobicContact CD1-CE 3.96Å; I48-M81 HydrophobicContact CD1-SD 3.54Å; I48-M81 VanDerWaalsContact CD1-SD 3.54Å; I48-M81 HydrophobicContact CG2-SD 3.89Å; T69-M81 WeakPolarHBondContact O-CA 3.46Å; L70-M81 HydrophobicContact CD2-CB 3.71Å; L70-M81 HydrophobicContact CD2-CG 3.58Å; L70-M81 HydrophobicContact CD2-SD 4.17Å; M81-L83 HydrophobicContact CE-CD1 3.96Å; M81-L83 HydrophobicContact CE-CG 4.14Å; M81-L83 HydrophobicContact CG-CG 4.41Å; M81-L83 HydrophobicContact SD-CD2 4.32Å; M81-L83 HydrophobicContact SD-CG 4.44Å; M81-Y94 HydrophobicContact CE-CD1 3.58Å; M81-Y94 HydrophobicContact CE-CE1 4.21Å; M81-Y94 HydrophobicContact CE-CG 4.03Å
82	E	98.6	Very high	93.6	Very high	72 Å²	72	48.6 Å²	48.6	34%	0.336	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.2	168.7	-175	167.1	-171.1	0	0	109.4	S17 V18 A68 T69	S17-E82 PolarHBondContact OG-OE1 3.29Å; V18-E82 CarbonylContact O-C 3.54Å; V18-E82 VanDerWaalsContact O-CA 3.29Å; V18-E82 WeakPolarHBondContact O-CA 3.29Å; A68-E82 CarbonylContact C-O 3.54Å; A68-E82 VanDerWaalsContact CA-O 3.32Å; A68-E82 WeakPolarHBondContact CA-O 3.37Å; T69-E82 PolarHBondContact N-O 2.81Å; T69-E82 PolarHBondContact O-N 3.1Å
83	L	98.5	Very high	94	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.6	171.1	-65.7	170.3	0	0	0	108.3	S17 V18 F64 K67 A68 M81 L86 Y94	S17-L83 CarbonylContact C-O 3.53Å; S17-L83 WeakPolarHBondContact CA-O 3.41Å; S17-L83 VanDerWaalsContact CB-O 3.23Å; S17-L83 WeakPolarHBondContact CB-O 3.39Å; V18-L83 HydrophobicContact CG1-CB 4.05Å; V18-L83 HydrophobicContact CG1-CD1 4.44Å; V18-L83 PolarHBondContact N-O 2.9Å; V18-L83 PolarHBondContact O-N 2.97Å; F64-L83 HydrophobicContact CD1-CD2 4.17Å; F64-L83 HydrophobicContact CE1-CD2 4.47Å; K67-L83 WeakPolarHBondContact O-CA 3.11Å; A68-L83 HydrophobicContact CB-CD2 3.73Å; M81-L83 HydrophobicContact CE-CD1 3.96Å; M81-L83 HydrophobicContact CE-CG 4.14Å; M81-L83 HydrophobicContact CG-CG 4.41Å; M81-L83 HydrophobicContact SD-CD2 4.32Å; M81-L83 HydrophobicContact SD-CG 4.44Å; L83-L86 HydrophobicContact CB-CD2 3.73Å; L83-L86 HydrophobicContact CD1-CD2 4.45Å; L83-Y94 HydrophobicContact CD1-CD1 4.19Å; L83-Y94 HydrophobicContact CD1-CE1 3.47Å; L83-Y94 VanDerWaalsContact CD1-CE1 3.47Å; L83-Y94 HydrophobicContact CD1-CE2 4.18Å; L83-Y94 VanDerWaalsContact CD1-CZ 3.47Å
84	S	97.1	Very high	94.4	Very high	40 Å²	40	48.9 Å²	48.9	28%	0.28	30%	0.298	S	S	.	.			trans	-106	163.3	179.8	64.5	0	0	0	0	111.9	K67 L86	K67-S84 PolarHBondContact O-N 2.83Å; K67-S84 PolarHBondContact O-OG 2.98Å; S84-L86 VanDerWaalsContact C-N 3.3Å; S84-L86 PolarHBondContact O-N 3.02Å
85	S	96.9	Very high	95	Very high	87 Å²	87	49.8 Å²	49.8	61%	0.608	30%	0.295	S	S	*	.	S	Bend	trans	51.8	46.8	174.1	-59.7	0	0	0	0	113.2	S16	S16-S85 PolarHBondContact O-N 3.13Å
86	L	97.7	Very high	95.5	Very high	14 Å²	14	45.3 Å²	45.3	7%	0.073	26%	0.263	C	S	.	.			trans	-60.4	139.4	-171.2	-68.2	169.3	0	0	0	112.9	V12 P14 G15 S16 V18 L83 S84 D90	V12-L86 HydrophobicContact CB-CD1 4.45Å; V12-L86 HydrophobicContact CG2-CD1 3.37Å; P14-L86 CarbonylContact C-O 3.57Å; P14-L86 WeakPolarHBondContact CA-O 3.19Å; G15-L86 PolarHBondContact N-O 2.82Å; S16-L86 VanDerWaalsContact O-CG 3.29Å; S16-L86 WeakPolarHBondContact O-CG 3.47Å; S16-L86 PolarHBondContact O-N 3.41Å; V18-L86 HydrophobicContact CB-CD1 3.93Å; V18-L86 HydrophobicContact CG1-CD1 3.82Å; V18-L86 HydrophobicContact CG1-CD2 4.25Å; L83-L86 HydrophobicContact CB-CD2 3.73Å; L83-L86 HydrophobicContact CD1-CD2 4.45Å; S84-L86 VanDerWaalsContact C-N 3.3Å; S84-L86 PolarHBondContact O-N 3.02Å; L86-D90 WeakPolarHBondContact CA-OD2 3.48Å; L86-D90 HydrophobicContact CD2-CB 3.71Å
87	T	96.7	Very high	95.7	Very high	64 Å²	64	45.4 Å²	45.4	39%	0.393	27%	0.266	S	S	.	.			trans	-117.3	173	172.3	72.3	0	0	0	0	110.3	E89 D90	T87-E89 PolarHBondContact O-N 2.77Å; T87-E89 PolarHBondContact OG1-N 3.38Å; T87-D90 PolarHBondContact N-OD2 3.24Å; T87-D90 WeakPolarHBondContact O-CB 3.17Å; T87-D90 PolarHBondContact O-N 3.39Å
88	S	94.8	Very high	95.5	Very high	100 Å²	100	48.4 Å²	48.4	70%	0.699	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-57.6	-28.7	173.3	50	0	0	0	0	112.4	D90 S91	S88-D90 PolarHBondContact O-N 2.94Å; S88-S91 WeakPolarHBondContact O-CB 3.44Å; S88-S91 PolarHBondContact O-N 2.79Å; S88-S91 VanDerWaalsContact O-N 3.14Å; S88-S91 PolarHBondContact O-OG 3.06Å; S88-S91 VanDerWaalsContact O-OG 3.14Å
89	E	93.8	Very high	95.7	Very high	128 Å²	128	50.4 Å²	50.4	60%	0.598	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-67.5	-14.9	177.2	-57.8	-175	158	0	0	113.4	K38 T87 S91	K38-E89 VanDerWaalsContact CE-O 3.32Å; K38-E89 WeakPolarHBondContact CE-O 3.4Å; K38-E89 PolarHBondContact NZ-O 3.01Å; T87-E89 PolarHBondContact O-N 2.77Å; T87-E89 PolarHBondContact OG1-N 3.38Å; E89-S91 VanDerWaalsContact C-N 3.32Å
90	D	96.4	Very high	95.9	Very high	11 Å²	11	52.9 Å²	52.9	6%	0.059	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-85.6	-3.5	175.1	-59.8	-47	0	0	0	113.9	K38 K67 L86 T87 S88 A92 Y94	K38-D90 IonicContact NZ-OD1 3.2Å; K38-D90 PolarHBondContact NZ-OD1 3.19Å; K67-D90 VanDerWaalsContact CE-CG 3.48Å; K67-D90 VanDerWaalsContact CE-OD1 3.28Å; K67-D90 WeakPolarHBondContact CE-OD1 3.32Å; K67-D90 WeakPolarHBondContact CE-OD2 3.42Å; K67-D90 IonicContact NZ-OD1 2.88Å; K67-D90 PolarHBondContact NZ-OD1 3.09Å; K67-D90 IonicContact NZ-OD2 2.64Å; K67-D90 PolarHBondContact NZ-OD2 2.79Å; L86-D90 WeakPolarHBondContact CA-OD2 3.48Å; L86-D90 HydrophobicContact CD2-CB 3.71Å; T87-D90 PolarHBondContact N-OD2 3.24Å; T87-D90 WeakPolarHBondContact O-CB 3.17Å; T87-D90 PolarHBondContact O-N 3.39Å; S88-D90 PolarHBondContact O-N 2.94Å; D90-A92 PolarHBondContact O-N 3.23Å; D90-Y94 WeakPolarHBondContact O-CE2 3.07Å; D90-Y94 PolarHBondContact O-OH 3.16Å
91	S	96.5	Very high	95.9	Very high	88 Å²	88	52.7 Å²	52.7	62%	0.615	31%	0.305	S	S	*	.			trans	-68.5	104.4	172.2	-58.8	0	0	0	0	109.6	S88 E89	S88-S91 WeakPolarHBondContact O-CB 3.44Å; S88-S91 PolarHBondContact O-N 2.79Å; S88-S91 VanDerWaalsContact O-N 3.14Å; S88-S91 PolarHBondContact O-OG 3.06Å; S88-S91 VanDerWaalsContact O-OG 3.14Å; E89-S91 VanDerWaalsContact C-N 3.32Å
92	A	97.4	Very high	95.8	Very high	29 Å²	29	55.8 Å²	55.8	24%	0.24	32%	0.323	C	S	.	.	S	Bend	trans	-159.7	167	-172.5	0	0	0	0	0	110.3	K38 Q39 R40 D90 Y94	K38-A92 HydrophobicContact CD-CB 4.19Å; K38-A92 HydrophobicContact CG-CB 3.51Å; Q39-A92 WeakPolarHBondContact O-CA 3.24Å; Q39-A92 WeakPolarHBondContact O-CB 3.41Å; R40-A92 HydrophobicContact CG-CB 3.96Å; D90-A92 PolarHBondContact O-N 3.23Å; A92-Y94 HydrophobicContact CB-CD2 4.5Å; A92-Y94 HydrophobicContact CB-CE2 3.93Å
93	V	97.8	Very high	95.6	Very high	74 Å²	74	54.8 Å²	54.8	45%	0.448	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133	160.7	-171	0	0	0	0	107.9	Q39 Y95	Q39-V93 PolarHBondContact N-O 2.99Å; Q39-V93 PolarHBondContact O-N 3.43Å; V93-Y95 HydrophobicContact CB-CE2 3.95Å; V93-Y95 HydrophobicContact CG1-CD1 4.21Å; V93-Y95 HydrophobicContact CG1-CD2 4.34Å; V93-Y95 HydrophobicContact CG1-CE1 3.54Å; V93-Y95 HydrophobicContact CG1-CE2 3.7Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.16Å
94	Y	98.3	Very high	95.4	Very high	25 Å²	25	58.4 Å²	58.4	10%	0.098	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.4	175.9	-67.5	-86.4	0	0	0	108.6	Q6 L20 V37 K38 I48 M81 L83 D90 A92	Q6-Y94 PolarHBondContact NE2-O 3.03Å; L20-Y94 HydrophobicContact CD1-CD1 4.5Å; L20-Y94 HydrophobicContact CD1-CD2 3.9Å; L20-Y94 HydrophobicContact CD1-CG 3.72Å; V37-Y94 CarbonylContact O-C 3.57Å; V37-Y94 WeakPolarHBondContact O-CA 3.42Å; K38-Y94 HydrophobicContact CB-CD1 4.14Å; K38-Y94 HydrophobicContact CB-CE1 3.87Å; K38-Y94 HydrophobicContact CD-CE1 3.92Å; K38-Y94 WeakPolarHBondContact CE-OH 3.22Å; K38-Y94 HydrophobicContact CG-CD1 4.23Å; K38-Y94 HydrophobicContact CG-CE1 3.64Å; I48-Y94 HydrophobicContact CD1-CD1 3.65Å; I48-Y94 HydrophobicContact CD1-CE1 3.84Å; M81-Y94 HydrophobicContact CE-CD1 3.58Å; M81-Y94 HydrophobicContact CE-CE1 4.21Å; M81-Y94 HydrophobicContact CE-CG 4.03Å; L83-Y94 HydrophobicContact CD1-CD1 4.19Å; L83-Y94 HydrophobicContact CD1-CE1 3.47Å; L83-Y94 VanDerWaalsContact CD1-CE1 3.47Å; L83-Y94 HydrophobicContact CD1-CE2 4.18Å; L83-Y94 VanDerWaalsContact CD1-CZ 3.47Å; D90-Y94 WeakPolarHBondContact O-CE2 3.07Å; D90-Y94 PolarHBondContact O-OH 3.16Å; A92-Y94 HydrophobicContact CB-CD2 4.5Å; A92-Y94 HydrophobicContact CB-CE2 3.93Å
95	Y	97.3	Very high	95.3	Very high	88 Å²	88	59.7 Å²	59.7	35%	0.345	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	142.9	178.2	-55.7	-79.5	0	0	0	109.9	W36 V37 Q39 V93	W36-Y95 WeakPolarHBondContact CA-O 3.39Å; V37-Y95 PolarHBondContact N-O 3.06Å; V37-Y95 PolarHBondContact O-N 3Å; Q39-Y95 HydrophobicContact CB-CD2 4.34Å; Q39-Y95 HydrophobicContact CB-CE2 3.7Å; Q39-Y95 VanDerWaalsContact OE1-CE2 3.23Å; Q39-Y95 PolarHBondContact OE1-OH 2.64Å; V93-Y95 HydrophobicContact CB-CE2 3.95Å; V93-Y95 HydrophobicContact CG1-CD1 4.21Å; V93-Y95 HydrophobicContact CG1-CD2 4.34Å; V93-Y95 HydrophobicContact CG1-CE1 3.54Å; V93-Y95 HydrophobicContact CG1-CE2 3.7Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.16Å
96	C	95.3	Very high	95.1	Very high	9 Å²	9	57.6 Å²	57.6	6%	0.061	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	148.4	158.3	64.3	0	0	0	0	109.3	Q6 C22 M34 H35 W36	Q6-C96 VanDerWaalsContact CD-SG 3.6Å; Q6-C96 WeakPolarHBondContact CG-SG 3.48Å; Q6-C96 PolarHBondContact OE1-SG 3.23Å; C22-C96 HydrophobicContact CB-CB 3.36Å; C22-C96 WeakPolarHBondContact CB-SG 3.03Å; C22-C96 WeakPolarHBondContact SG-CB 3.45Å; C22-C96 CovalentContact SG-SG 2.01Å; C22-C96 PolarHBondContact SG-SG 2.84Å; M34-C96 HydrophobicContact CG-CB 4.21Å; M34-C96 HydrophobicContact SD-CB 3.71Å; H35-C96 CarbonylContact O-C 3.58Å; H35-C96 VanDerWaalsContact O-CA 3.24Å; H35-C96 WeakPolarHBondContact O-CA 3.4Å; W36-C96 HydrophobicContact CD2-CB 4.32Å; W36-C96 HydrophobicContact CE3-CB 4.11Å; W36-C96 HydrophobicContact CH2-CB 4.21Å; W36-C96 HydrophobicContact CZ2-CB 4.38Å; W36-C96 HydrophobicContact CZ3-CB 4.06Å
97	A	92.1	Very high	94.9	Very high	40 Å²	40	61.3 Å²	61.3	33%	0.331	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	148.8	179.4	0	0	0	0	0	111.6	M34 H35	M34-A97 VanDerWaalsContact SD-O 3.38Å; H35-A97 HydrophobicContact CB-CB 4.42Å; H35-A97 PolarHBondContact N-O 3.28Å; H35-A97 PolarHBondContact O-N 3.4Å
98	R	83	Confident	94.8	Very high	79 Å²	79	61 Å²	61	30%	0.298	35%	0.345	S	S	.	.			trans	-138.8	0	173.4	-77.2	-159.3	83.2	-170.3	-1.5	111.1	R2 L4 D24 F29 S32 M34	R2-R98 PolarHBondContact NH1-OXT 3.34Å; R2-R98 VanDerWaalsContact NH2-NH2 3.16Å; L4-R98 HydrophobicContact CD1-CB 4.31Å; L4-R98 HydrophobicContact CD1-CG 4.35Å; L4-R98 HydrophobicContact CD2-CG 4.23Å; D24-R98 WeakPolarHBondContact OD2-CD 3.5Å; D24-R98 IonicContact OD2-CZ 3.44Å; D24-R98 IonicContact OD2-NE 3.52Å; D24-R98 IonicContact OD2-NH1 2.72Å; D24-R98 PolarHBondContact OD2-NH1 2.97Å; F29-R98 HydrophobicContact CE2-CG 4.22Å; S32-R98 PolarHBondContact OG-NH2 2.84Å; M34-R98 HydrophobicContact CE-CG 3.97Å; M34-R98 HydrophobicContact SD-CG 3.76Å

Retrieved 98 of 98 residues in 87.7 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).