A0A075B5M2_MOUSE Loading...

Immunoglobulin kappa chain variable 4-61

AlphaFold DB , UniProt , Accession A0A075B5M2, Species MOUSE (Mus musculus, Mouse), Gene Igkv4-61, Length 94 aa.

						>A0A075B5M2_MOUSE|A0A075B5M2|Igkv4-61
QIVLTQSPAIMSASPGEKVTISCSASSSVSYMYWYQQKPGSSPKPWIYRTSNLASGVPARFSGSGSGTSYSLTISSMEAEDAATYYCQQYHSYP
					

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(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	85.9	Confident	94.9	Very high	175 Å²	175	85.9 Å²	85.9	82%	0.818	49%	0.493	S	S	*	.				0	134.1	0	-173.5	-179.2	9.5	0	0	109.2
2	I	92.2	Very high	94.9	Very high	18 Å²	18	88.3 Å²	88.3	9%	0.092	52%	0.519	C	S	.	.			trans	-100	122.9	174.4	-58.2	-176	0	0	0	108.5	L4 A25 S27 V29 Q89 H91	I2-L4 HydrophobicContact CG2-CD2 4.29Å; I2-A25 HydrophobicContact CG2-CB 4.12Å; I2-S27 WeakPolarHBondContact CD1-OG 3.49Å; I2-S27 WeakPolarHBondContact CG1-OG 3.49Å; I2-V29 HydrophobicContact CD1-CG1 3.6Å; I2-V29 HydrophobicContact CG2-CG1 4.07Å; I2-Q89 HydrophobicContact CB-CG 4.39Å; I2-Q89 HydrophobicContact CG2-CG 4.08Å; I2-H91 HydrophobicContact CD1-CB 4.12Å
3	V	95.2	Very high	94.9	Very high	77 Å²	77	84.2 Å²	84.2	47%	0.467	50%	0.501	S	S	.	.			trans	-99.3	135.4	177.7	-178.8	0	0	0	0	108.5	A25 S26	V3-A25 WeakPolarHBondContact O-CA 3.28Å; V3-S26 PolarHBondContact N-OG 3.34Å; V3-S26 PolarHBondContact O-N 3.19Å
4	L	96.3	Very high	95	Very high	49 Å²	49	82.7 Å²	82.7	26%	0.257	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.3	176.3	-59.4	-177.8	0	0	0	109.8	I2 S24 A25 M32 C87 Q89	I2-L4 HydrophobicContact CG2-CD2 4.29Å; L4-S24 CarbonylContact C-O 3.59Å; L4-S24 WeakPolarHBondContact CA-O 3.13Å; L4-A25 HydrophobicContact CD2-CB 3.57Å; L4-M32 HydrophobicContact CD1-SD 4.41Å; L4-M32 HydrophobicContact CD2-CE 4.02Å; L4-C87 WeakPolarHBondContact CD1-O 3.38Å; L4-Q89 HydrophobicContact CD1-CG 4.11Å; L4-Q89 HydrophobicContact CD2-CG 4.1Å; L4-Q89 HydrophobicContact CG-CG 4.31Å
5	T	97.9	Very high	95.1	Very high	90 Å²	90	84.5 Å²	84.5	55%	0.552	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.5	177.4	-56.5	0	0	0	0	109.4	C23 S24	T5-C23 WeakPolarHBondContact O-CA 3.38Å; T5-S24 PolarHBondContact N-O 2.82Å; T5-S24 PolarHBondContact O-N 2.9Å
6	Q	98.1	Very high	95.3	Very high	63 Å²	63	82.3 Å²	82.3	29%	0.294	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	146	178	-59	-168.2	143.5	0	0	112.2	S22 C23 Y85 C87	Q6-S22 CarbonylContact C-O 3.44Å; Q6-S22 WeakPolarHBondContact CA-O 3.27Å; Q6-C23 HydrophobicContact CG-CB 4.47Å; Q6-Y85 PolarHBondContact NE2-O 3.47Å; Q6-Y85 PolarHBondContact OE1-O 2.03Å; Q6-C87 VanDerWaalsContact CG-SG 3.6Å; Q6-C87 PolarHBondContact OE1-SG 2.81Å
7	S	97.9	Very high	95.4	Very high	72 Å²	72	82.6 Å²	82.6	50%	0.503	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	141	174.6	-175.3	0	0	0	0	111.8	S22	S7-S22 PolarHBondContact N-O 2.91Å; S7-S22 PolarHBondContact O-N 2.8Å
8	P	96.9	Very high	95.6	Very high	54 Å²	54	86.3 Å²	86.3	35%	0.351	51%	0.512	S	S	.	.			cis	-73.2	161.2	-8.8	32.9	-36.8	0	0	0	111.8	M11	P8-M11 HydrophobicContact CG-CB 3.87Å; P8-M11 HydrophobicContact CG-CG 3.96Å; P8-M11 HydrophobicContact CG-SD 3.83Å
9	A	94.1	Very high	95.7	Very high	103 Å²	103	82.1 Å²	82.1	85%	0.851	49%	0.487	S	S	*	.	S	Bend	trans	-70.3	-35.5	177.5	0	0	0	0	0	112.6
10	I	95.5	Very high	95.8	Very high	154 Å²	154	80.7 Å²	80.7	79%	0.79	48%	0.48	S	S	*	.	S	Bend	trans	-137.7	137.9	176.8	-58.9	175.1	0	0	0	106.9
11	M	94.1	Very high	95.9	Very high	90 Å²	90	77.9 Å²	77.9	44%	0.443	46%	0.462	S	S	.	.			trans	-139.4	141.1	176	-152.5	174	77.8	0	0	110.4	P8 A13 V19	P8-M11 HydrophobicContact CG-CB 3.87Å; P8-M11 HydrophobicContact CG-CG 3.96Å; P8-M11 HydrophobicContact CG-SD 3.83Å; M11-A13 HydrophobicContact CE-CB 4.28Å; M11-V19 HydrophobicContact CE-CB 3.56Å; M11-V19 HydrophobicContact CE-CG1 3.17Å; M11-V19 HydrophobicContact CE-CG2 3.29Å; M11-V19 HydrophobicContact SD-CG1 4.49Å
12	S	95.1	Very high	96.5	Very high	115 Å²	115	71.9 Å²	71.9	80%	0.804	44%	0.44	S	S	*	.			trans	-107.9	136.8	167.8	-60.7	0	0	0	0	108.2
13	A	95.2	Very high	96.8	Very high	35 Å²	35	71 Å²	71	29%	0.289	44%	0.435	S	S	.	.			trans	-143.5	142.1	178.6	0	0	0	0	0	109.8	M11 E17 V19 M77	M11-A13 HydrophobicContact CE-CB 4.28Å; A13-E17 VanDerWaalsContact CA-OE2 3.28Å; A13-E17 WeakPolarHBondContact CA-OE2 3.48Å; A13-E17 HydrophobicContact CB-CB 4.49Å; A13-V19 HydrophobicContact CB-CG2 3.51Å; A13-M77 HydrophobicContact CB-CB 4.5Å; A13-M77 HydrophobicContact CB-CG 4.11Å
14	S	96.2	Very high	96.9	Very high	63 Å²	63	70.2 Å²	70.2	44%	0.441	43%	0.433	S	S	.	.			trans	-82.2	154.5	174.6	-44	0	0	0	0	110.7	G16 E17	S14-G16 PolarHBondContact O-N 3.45Å; S14-E17 VanDerWaalsContact CB-CD 3.49Å; S14-E17 VanDerWaalsContact CB-OE1 3.25Å; S14-E17 WeakPolarHBondContact CB-OE1 3.32Å; S14-E17 VanDerWaalsContact N-CD 3.25Å; S14-E17 PolarHBondContact N-OE2 2.76Å; S14-E17 VanDerWaalsContact O-CB 3.29Å; S14-E17 WeakPolarHBondContact O-CB 3.44Å; S14-E17 WeakPolarHBondContact O-CG 3.39Å; S14-E17 PolarHBondContact O-N 3.01Å; S14-E17 PolarHBondContact OG-OE1 3.04Å
15	P	96.7	Very high	97	Very high	109 Å²	109	68.3 Å²	68.3	71%	0.708	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	134.9	172.1	-26.7	35.6	0	0	0	112.4	E17 M77	P15-E17 VanDerWaalsContact C-N 3.3Å; P15-M77 CarbonylContact C-O 3.53Å; P15-M77 VanDerWaalsContact CA-O 3.27Å; P15-M77 WeakPolarHBondContact CA-O 3.21Å
16	G	97.4	Very high	96.9	Very high	49 Å²	49	67.7 Å²	67.7	51%	0.505	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	-12.2	-176.4	0	0	0	0	0	115	S14 M77	S14-G16 PolarHBondContact O-N 3.45Å; G16-M77 PolarHBondContact N-O 3.43Å
17	E	97.9	Very high	96.8	Very high	88 Å²	88	67 Å²	67	41%	0.411	43%	0.426	S	S	.	.			trans	-73	148.8	177	-68.5	179.1	179.8	0	0	111.9	A13 S14 P15 M77	A13-E17 VanDerWaalsContact CA-OE2 3.28Å; A13-E17 WeakPolarHBondContact CA-OE2 3.48Å; A13-E17 HydrophobicContact CB-CB 4.49Å; S14-E17 VanDerWaalsContact CB-CD 3.49Å; S14-E17 VanDerWaalsContact CB-OE1 3.25Å; S14-E17 WeakPolarHBondContact CB-OE1 3.32Å; S14-E17 VanDerWaalsContact N-CD 3.25Å; S14-E17 PolarHBondContact N-OE2 2.76Å; S14-E17 VanDerWaalsContact O-CB 3.29Å; S14-E17 WeakPolarHBondContact O-CB 3.44Å; S14-E17 WeakPolarHBondContact O-CG 3.39Å; S14-E17 PolarHBondContact O-N 3.01Å; S14-E17 PolarHBondContact OG-OE1 3.04Å; P15-E17 VanDerWaalsContact C-N 3.3Å; E17-M77 WeakPolarHBondContact O-CB 3.45Å; E17-M77 PolarHBondContact O-N 2.91Å
18	K	98	Very high	96.7	Very high	149 Å²	149	67.4 Å²	67.4	65%	0.648	43%	0.428	S	S	*	.			trans	-83.2	123.8	172.7	-178.9	-179.5	179.1	-179	0	110	T73 I74	K18-T73 HydrophobicContact CD-CG2 4.43Å; K18-T73 VanDerWaalsContact CE-CG2 3.44Å; K18-T73 HydrophobicContact CG-CG2 4.19Å; K18-I74 CarbonylContact C-O 3.5Å; K18-I74 WeakPolarHBondContact CA-O 3.42Å
19	V	97.7	Very high	96.6	Very high	6 Å²	6	65 Å²	65	4%	0.036	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138.8	176.5	165	0	0	0	0	109.8	M11 A13 I21 T73 I74 M77	M11-V19 HydrophobicContact CE-CB 3.56Å; M11-V19 HydrophobicContact CE-CG1 3.17Å; M11-V19 HydrophobicContact CE-CG2 3.29Å; M11-V19 HydrophobicContact SD-CG1 4.49Å; A13-V19 HydrophobicContact CB-CG2 3.51Å; V19-I21 HydrophobicContact CG1-CG1 4.2Å; V19-T73 CarbonylContact O-C 3.56Å; V19-T73 VanDerWaalsContact O-CA 3.28Å; V19-T73 WeakPolarHBondContact O-CA 3.04Å; V19-I74 HydrophobicContact CB-CB 4.08Å; V19-I74 HydrophobicContact CB-CD1 4.18Å; V19-I74 HydrophobicContact CB-CG1 4.1Å; V19-I74 HydrophobicContact CG1-CD1 4.04Å; V19-I74 HydrophobicContact CG1-CG1 4.16Å; V19-I74 PolarHBondContact N-O 2.83Å; V19-I74 PolarHBondContact O-N 2.81Å; V19-M77 HydrophobicContact CG2-CB 4.24Å; V19-M77 HydrophobicContact CG2-CG 4.3Å; V19-M77 HydrophobicContact CG2-SD 3.85Å
20	T	98.2	Very high	96.5	Very high	55 Å²	55	63.9 Å²	63.9	34%	0.337	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	125.5	170.4	-62.3	0	0	0	0	110.1	L72 T73	T20-L72 CarbonylContact C-O 3.54Å; T20-L72 WeakPolarHBondContact CA-O 3.01Å; T20-T73 PolarHBondContact OG1-OG1 2.91Å
21	I	98.3	Very high	96.5	Very high	22 Å²	22	62.4 Å²	62.4	11%	0.113	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125	176.3	-53.5	175.5	0	0	0	107	V19 W34 S71 L72 Y85	V19-I21 HydrophobicContact CG1-CG1 4.2Å; I21-W34 HydrophobicContact CB-CH2 4.27Å; I21-W34 HydrophobicContact CB-CZ3 4.42Å; I21-W34 HydrophobicContact CG2-CH2 3.93Å; I21-W34 HydrophobicContact CG2-CZ3 3.97Å; I21-S71 CarbonylContact O-C 3.52Å; I21-S71 WeakPolarHBondContact O-CA 3.3Å; I21-S71 WeakPolarHBondContact O-CB 3.26Å; I21-L72 HydrophobicContact CB-CB 4.47Å; I21-L72 HydrophobicContact CD1-CD2 4.4Å; I21-L72 PolarHBondContact N-O 2.79Å; I21-L72 PolarHBondContact O-N 2.87Å; I21-Y85 HydrophobicContact CD1-CD2 3.76Å; I21-Y85 HydrophobicContact CD1-CG 4.01Å
22	S	98.4	Very high	96.7	Very high	49 Å²	49	58.1 Å²	58.1	34%	0.343	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	144.8	177.5	-62.4	0	0	0	0	110.5	Q6 S7 Y70	Q6-S22 CarbonylContact C-O 3.44Å; Q6-S22 WeakPolarHBondContact CA-O 3.27Å; S7-S22 PolarHBondContact N-O 2.91Å; S7-S22 PolarHBondContact O-N 2.8Å; S22-Y70 CarbonylContact C-O 3.48Å; S22-Y70 WeakPolarHBondContact CA-O 3.48Å
23	C	98.2	Very high	96.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	113.2	170.2	175.8	0	0	0	0	109.2	T5 Q6 W34 Y70 C87	T5-C23 WeakPolarHBondContact O-CA 3.38Å; Q6-C23 HydrophobicContact CG-CB 4.47Å; C23-W34 HydrophobicContact CB-CH2 3.61Å; C23-W34 HydrophobicContact CB-CZ2 3.66Å; C23-Y70 PolarHBondContact N-O 2.99Å; C23-Y70 PolarHBondContact O-N 3.19Å; C23-C87 HydrophobicContact CB-CB 3.5Å; C23-C87 VanDerWaalsContact CB-CB 3.5Å; C23-C87 WeakPolarHBondContact CB-SG 3.34Å; C23-C87 WeakPolarHBondContact SG-CB 3.32Å; C23-C87 CovalentContact SG-SG 2.03Å; C23-C87 PolarHBondContact SG-SG 3.38Å
24	S	98	Very high	97	Very high	59 Å²	59	53.1 Å²	53.1	41%	0.413	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.5	178.6	-60.7	0	0	0	0	110.1	L4 T5 T68	L4-S24 CarbonylContact C-O 3.59Å; L4-S24 WeakPolarHBondContact CA-O 3.13Å; T5-S24 PolarHBondContact N-O 2.82Å; T5-S24 PolarHBondContact O-N 2.9Å; S24-T68 CarbonylContact C-O 3.52Å; S24-T68 VanDerWaalsContact CA-O 3.31Å; S24-T68 WeakPolarHBondContact CA-O 3.47Å
25	A	97.1	Very high	97.1	Very high	9 Å²	9	52.1 Å²	52.1	7%	0.074	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	140.9	174.1	0	0	0	0	0	110.9	I2 V3 L4 S27 V29 T68	I2-A25 HydrophobicContact CG2-CB 4.12Å; V3-A25 WeakPolarHBondContact O-CA 3.28Å; L4-A25 HydrophobicContact CD2-CB 3.57Å; A25-S27 VanDerWaalsContact CB-O 3.3Å; A25-S27 WeakPolarHBondContact CB-O 3.36Å; A25-S27 PolarHBondContact O-N 3.4Å; A25-S27 VanDerWaalsContact O-N 3.16Å; A25-V29 HydrophobicContact CB-CG1 4.37Å; A25-V29 HydrophobicContact CB-CG2 4.38Å; A25-T68 PolarHBondContact N-O 3.48Å; A25-T68 WeakPolarHBondContact O-CB 3.44Å
26	S	96.5	Very high	97.2	Very high	78 Å²	78	47.6 Å²	47.6	55%	0.545	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	-13.8	178	67.2	0	0	0	0	114.2	V3	V3-S26 PolarHBondContact N-OG 3.34Å; V3-S26 PolarHBondContact O-N 3.19Å
27	S	95.5	Very high	97.2	Very high	49 Å²	49	47.9 Å²	47.9	34%	0.343	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	164.1	173.7	63	0	0	0	0	109.5	I2 A25 V29	I2-S27 WeakPolarHBondContact CD1-OG 3.49Å; I2-S27 WeakPolarHBondContact CG1-OG 3.49Å; A25-S27 VanDerWaalsContact CB-O 3.3Å; A25-S27 WeakPolarHBondContact CB-O 3.36Å; A25-S27 PolarHBondContact O-N 3.4Å; A25-S27 VanDerWaalsContact O-N 3.16Å; S27-V29 PolarHBondContact O-N 2.81Å
28	S	95.4	Very high	97.1	Very high	79 Å²	79	47.5 Å²	47.5	55%	0.552	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.3	130.5	-177.6	-171.6	0	0	0	0	111.4	G67	S28-G67 WeakPolarHBondContact CA-O 3.44Å; S28-G67 WeakPolarHBondContact OG-CA 3.29Å
29	V	95	Very high	97	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.03	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	155.3	171.1	-61.9	0	0	0	0	109.9	I2 A25 S27 M32 G67 Y70 Q89 H91	I2-V29 HydrophobicContact CD1-CG1 3.6Å; I2-V29 HydrophobicContact CG2-CG1 4.07Å; A25-V29 HydrophobicContact CB-CG1 4.37Å; A25-V29 HydrophobicContact CB-CG2 4.38Å; S27-V29 PolarHBondContact O-N 2.81Å; V29-M32 HydrophobicContact CG2-CE 4.12Å; V29-G67 PolarHBondContact N-O 2.82Å; V29-Y70 HydrophobicContact CG2-CD2 4.37Å; V29-Y70 HydrophobicContact CG2-CE2 3.4Å; V29-Y70 PolarHBondContact O-OH 2.84Å; V29-Q89 HydrophobicContact CB-CB 4.24Å; V29-Q89 HydrophobicContact CG1-CB 3.86Å; V29-Q89 HydrophobicContact CG1-CG 4.04Å; V29-Q89 HydrophobicContact CG2-CB 4.35Å; V29-H91 HydrophobicContact CG1-CB 4.26Å
30	S	93.1	Very high	96.9	Very high	79 Å²	79	50.2 Å²	50.2	55%	0.552	31%	0.311	S	S	*	.	S	Bend	trans	-80.6	-35.4	-178.4	-49.5	0	0	0	0	113.1
31	Y	95.3	Very high	96.8	Very high	123 Å²	123	50.3 Å²	50.3	48%	0.482	31%	0.313	S	S	.	.			trans	-143.3	141.9	-174.2	-62.1	-59.5	0	0	0	110.8	R49 T50	Y31-R49 HydrophobicContact CD1-CB 4.03Å; Y31-R49 HydrophobicContact CD1-CG 4.34Å; Y31-R49 HydrophobicContact CE1-CB 4.38Å; Y31-R49 HydrophobicContact CG-CG 4.46Å; Y31-T50 WeakPolarHBondContact CA-OG1 3.29Å
32	M	97.4	Very high	96.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	34%	0.336	C	S	.	.			trans	-108.5	140.8	169.4	-168.5	56.3	67	0	0	110.7	L4 V29 T50 Y70 C87	L4-M32 HydrophobicContact CD1-SD 4.41Å; L4-M32 HydrophobicContact CD2-CE 4.02Å; V29-M32 HydrophobicContact CG2-CE 4.12Å; M32-T50 PolarHBondContact N-OG1 3.17Å; M32-T50 VanDerWaalsContact O-CA 3.25Å; M32-T50 WeakPolarHBondContact O-CA 3.34Å; M32-T50 PolarHBondContact O-N 3.38Å; M32-Y70 HydrophobicContact CB-CD1 3.39Å; M32-Y70 HydrophobicContact CB-CD2 4.15Å; M32-Y70 HydrophobicContact CB-CE1 3.82Å; M32-Y70 HydrophobicContact CB-CG 3.57Å; M32-Y70 HydrophobicContact CE-CD2 3.41Å; M32-Y70 VanDerWaalsContact CE-CD2 3.41Å; M32-Y70 HydrophobicContact CE-CE2 3.92Å; M32-Y70 HydrophobicContact CE-CG 3.87Å; M32-Y70 HydrophobicContact CG-CD1 4.21Å; M32-Y70 HydrophobicContact CG-CD2 4.42Å; M32-Y70 HydrophobicContact CG-CG 3.91Å; M32-C87 HydrophobicContact CG-CB 4.22Å; M32-C87 HydrophobicContact SD-CB 3.64Å
33	Y	98.1	Very high	96.7	Very high	44 Å²	44	54 Å²	54	17%	0.173	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.8	176	-65.9	-107.7	0	0	0	108.2	I47 C87 Q88 Y90	Y33-I47 CarbonylContact C-O 3.56Å; Y33-I47 WeakPolarHBondContact CA-O 3.45Å; Y33-C87 CarbonylContact O-C 3.51Å; Y33-C87 WeakPolarHBondContact O-CA 3.43Å; Y33-Q88 PolarHBondContact N-O 2.86Å; Y33-Q88 PolarHBondContact O-N 2.86Å; Y33-Y90 AromaticContact CD1-CE2 3.83Å; Y33-Y90 HydrophobicContact CD1-CE2 3.83Å; Y33-Y90 AromaticContact CD2-CD2 3.49Å; Y33-Y90 HydrophobicContact CD2-CD2 3.49Å; Y33-Y90 VanDerWaalsContact CD2-CD2 3.49Å; Y33-Y90 AromaticContact CD2-CE2 3.53Å; Y33-Y90 HydrophobicContact CD2-CE2 3.53Å; Y33-Y90 HydrophobicContact CE1-CD2 4.41Å; Y33-Y90 AromaticContact CE1-CE2 3.92Å; Y33-Y90 HydrophobicContact CE1-CE2 3.92Å; Y33-Y90 AromaticContact CE2-CD2 3.38Å; Y33-Y90 HydrophobicContact CE2-CD2 3.38Å; Y33-Y90 AromaticContact CE2-CE2 3.66Å; Y33-Y90 HydrophobicContact CE2-CE2 3.66Å; Y33-Y90 HydrophobicContact CG-CD2 4.12Å; Y33-Y90 AromaticContact CG-CE2 3.64Å; Y33-Y90 HydrophobicContact CG-CE2 3.64Å; Y33-Y90 AromaticContact CZ-CD2 3.87Å; Y33-Y90 AromaticContact CZ-CE2 3.85Å
34	W	98.4	Very high	96.7	Very high	1 Å²	1	60 Å²	60	0%	0.004	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.1	177.7	-68.1	92	0	0	0	110.2	I21 C23 W46 I47 L72 Y86 C87	I21-W34 HydrophobicContact CB-CH2 4.27Å; I21-W34 HydrophobicContact CB-CZ3 4.42Å; I21-W34 HydrophobicContact CG2-CH2 3.93Å; I21-W34 HydrophobicContact CG2-CZ3 3.97Å; C23-W34 HydrophobicContact CB-CH2 3.61Å; C23-W34 HydrophobicContact CB-CZ2 3.66Å; W34-W46 HydrophobicContact CB-CB 4.5Å; W34-W46 WeakPolarHBondContact O-CA 3.32Å; W34-W46 WeakPolarHBondContact O-CB 3.33Å; W34-W46 PolarHBondContact O-N 2.9Å; W34-I47 HydrophobicContact CB-CB 4.03Å; W34-I47 HydrophobicContact CB-CG1 4.46Å; W34-I47 HydrophobicContact CG-CB 4.43Å; W34-I47 PolarHBondContact N-O 2.87Å; W34-I47 PolarHBondContact O-N 2.8Å; W34-I47 VanDerWaalsContact O-N 3.11Å; W34-L72 HydrophobicContact CD2-CB 3.66Å; W34-L72 HydrophobicContact CD2-CD2 4.15Å; W34-L72 HydrophobicContact CD2-CG 4.39Å; W34-L72 HydrophobicContact CE3-CB 3.89Å; W34-L72 HydrophobicContact CE3-CD2 3.88Å; W34-L72 HydrophobicContact CG-CB 4.21Å; W34-L72 HydrophobicContact CG-CD1 4.43Å; W34-L72 HydrophobicContact CG-CD2 4.45Å; W34-L72 HydrophobicContact CH2-CB 3.95Å; W34-L72 HydrophobicContact CZ2-CB 3.75Å; W34-L72 HydrophobicContact CZ3-CB 4.02Å; W34-L72 HydrophobicContact CZ3-CD2 4.38Å; W34-Y86 CarbonylContact C-O 3.54Å; W34-Y86 VanDerWaalsContact CA-O 3.3Å; W34-Y86 WeakPolarHBondContact CA-O 3.47Å; W34-C87 HydrophobicContact CD2-CB 4.06Å; W34-C87 HydrophobicContact CE3-CB 3.89Å; W34-C87 HydrophobicContact CH2-CB 3.88Å; W34-C87 HydrophobicContact CZ2-CB 4.02Å; W34-C87 HydrophobicContact CZ3-CB 3.8Å
35	Y	98.2	Very high	96.7	Very high	42 Å²	42	61.2 Å²	61.2	17%	0.165	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.4	177	-62.5	-96.1	0	0	0	109.7	K44 P45 Y85 Y86 Q88 Y90	Y35-K44 CarbonylContact C-O 3.56Å; Y35-K44 WeakPolarHBondContact CA-O 3.49Å; Y35-P45 HydrophobicContact CD1-CG 4.45Å; Y35-P45 HydrophobicContact CE1-CB 4.37Å; Y35-P45 HydrophobicContact CE1-CG 4.11Å; Y35-Y85 CarbonylContact O-C 3.57Å; Y35-Y85 VanDerWaalsContact O-CA 3.26Å; Y35-Y85 WeakPolarHBondContact O-CA 3.45Å; Y35-Y86 PolarHBondContact N-O 3.16Å; Y35-Y86 PolarHBondContact O-N 3.01Å; Y35-Q88 HydrophobicContact CD2-CB 4.34Å; Y35-Q88 HydrophobicContact CE2-CB 3.78Å; Y35-Q88 HydrophobicContact CE2-CG 4.49Å; Y35-Q88 VanDerWaalsContact CE2-OE1 3.28Å; Y35-Q88 PolarHBondContact OH-OE1 3.49Å; Y35-Y90 PolarHBondContact OH-OH 2.76Å
36	Q	98.1	Very high	96.7	Very high	14 Å²	14	62.2 Å²	62.2	7%	0.065	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	133.3	170.8	-173.5	-169.8	72.2	0	0	109	P43 K44 W46 A83 Y85	Q36-P43 WeakPolarHBondContact O-CA 3.29Å; Q36-K44 PolarHBondContact N-O 3.45Å; Q36-K44 PolarHBondContact O-N 3.28Å; Q36-W46 HydrophobicContact CB-CB 4.4Å; Q36-W46 HydrophobicContact CB-CD2 3.79Å; Q36-W46 HydrophobicContact CB-CE3 3.66Å; Q36-W46 HydrophobicContact CB-CG 4.13Å; Q36-W46 HydrophobicContact CB-CZ3 4.24Å; Q36-W46 HydrophobicContact CG-CE3 4.48Å; Q36-A83 HydrophobicContact CG-CB 3.45Å; Q36-A83 VanDerWaalsContact CG-CB 3.45Å; Q36-Y85 HydrophobicContact CB-CD1 4.11Å; Q36-Y85 HydrophobicContact CB-CE1 3.86Å; Q36-Y85 HydrophobicContact CG-CD1 4.24Å; Q36-Y85 HydrophobicContact CG-CE1 3.69Å; Q36-Y85 PolarHBondContact NE2-OH 3.27Å
37	Q	98.2	Very high	96.8	Very high	55 Å²	55	58.6 Å²	58.6	26%	0.257	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	112.7	172.2	-170.3	176	19.4	0	0	110.2	S41 P43 A83 T84 Y86	Q37-S41 VanDerWaalsContact CG-O 3.29Å; Q37-S41 WeakPolarHBondContact CG-O 3.39Å; Q37-S41 PolarHBondContact NE2-O 3.04Å; Q37-P43 HydrophobicContact CB-CB 4.46Å; Q37-P43 HydrophobicContact CB-CG 4.31Å; Q37-P43 HydrophobicContact CG-CG 4.23Å; Q37-A83 WeakPolarHBondContact O-CB 3.19Å; Q37-T84 PolarHBondContact N-O 3.13Å; Q37-T84 PolarHBondContact O-N 2.92Å; Q37-Y86 HydrophobicContact CB-CD2 4.38Å; Q37-Y86 HydrophobicContact CB-CE2 3.86Å; Q37-Y86 VanDerWaalsContact OE1-CE2 3.24Å; Q37-Y86 PolarHBondContact OE1-OH 2.92Å
38	K	96.5	Very high	96.9	Very high	80 Å²	80	60.8 Å²	60.8	35%	0.348	35%	0.35	S	S	.	.			trans	-80	153	169.3	-67	-170.6	175.2	-167	0	110.2	G40 S41 E80 A83	K38-G40 PolarHBondContact O-N 2.97Å; K38-S41 WeakPolarHBondContact O-CB 3.34Å; K38-S41 PolarHBondContact O-N 2.83Å; K38-E80 WeakPolarHBondContact CE-O 3.31Å; K38-E80 PolarHBondContact NZ-O 3.16Å; K38-A83 HydrophobicContact CG-CB 4.16Å
39	P	95.7	Very high	97	Very high	119 Å²	119	63.8 Å²	63.8	77%	0.773	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	130.9	175.7	-27.6	35.3	0	0	0	111.9	S41	P39-S41 PolarHBondContact O-N 2.92Å
40	G	96	Very high	97.1	Very high	93 Å²	93	64.3 Å²	64.3	96%	0.959	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	2	179.9	0	0	0	0	0	116	K38	K38-G40 PolarHBondContact O-N 2.97Å
41	S	95.8	Very high	97.3	Very high	56 Å²	56	63.8 Å²	63.8	39%	0.392	35%	0.349	S	S	.	.	S	Bend	trans	-106.4	160.2	177.7	-61.5	0	0	0	0	112	Q37 K38 P39	Q37-S41 VanDerWaalsContact CG-O 3.29Å; Q37-S41 WeakPolarHBondContact CG-O 3.39Å; Q37-S41 PolarHBondContact NE2-O 3.04Å; K38-S41 WeakPolarHBondContact O-CB 3.34Å; K38-S41 PolarHBondContact O-N 2.83Å; P39-S41 PolarHBondContact O-N 2.92Å
42	S	96.8	Very high	97.5	Very high	83 Å²	83	61.1 Å²	61.1	58%	0.58	34%	0.343	S	S	*	.			trans	-73.8	151.3	168.1	61.8	0	0	0	0	111.1	K44	S42-K44 PolarHBondContact O-N 3.33Å
43	P	97.7	Very high	97.5	Very high	66 Å²	66	63.9 Å²	63.9	43%	0.429	36%	0.357	S	S	.	.			trans	-57.3	137.2	170.6	-23	33.6	0	0	0	111.5	Q36 Q37	Q36-P43 WeakPolarHBondContact O-CA 3.29Å; Q37-P43 HydrophobicContact CB-CB 4.46Å; Q37-P43 HydrophobicContact CB-CG 4.31Å; Q37-P43 HydrophobicContact CG-CG 4.23Å
44	K	97.6	Very high	97.5	Very high	127 Å²	127	62.5 Å²	62.5	55%	0.552	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	142	176.4	-66.8	-177.1	-178.9	179.5	0	110.5	Y35 Q36 S42 W46	Y35-K44 CarbonylContact C-O 3.56Å; Y35-K44 WeakPolarHBondContact CA-O 3.49Å; Q36-K44 PolarHBondContact N-O 3.45Å; Q36-K44 PolarHBondContact O-N 3.28Å; S42-K44 PolarHBondContact O-N 3.33Å; K44-W46 PolarHBondContact O-N 2.84Å
45	P	97.6	Very high	97.5	Very high	84 Å²	84	68.8 Å²	68.8	55%	0.545	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	133	173.3	-22.8	32.8	0	0	0	110.7	Y35 A54	Y35-P45 HydrophobicContact CD1-CG 4.45Å; Y35-P45 HydrophobicContact CE1-CB 4.37Å; Y35-P45 HydrophobicContact CE1-CG 4.11Å; P45-A54 HydrophobicContact CB-CB 4.23Å; P45-A54 WeakPolarHBondContact O-CB 3.25Å
46	W	97.8	Very high	97.4	Very high	29 Å²	29	70.4 Å²	70.4	11%	0.11	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	-51.9	-178.1	-152	-110.4	0	0	0	111.3	W34 Q36 K44 A54 V57 F61	W34-W46 HydrophobicContact CB-CB 4.5Å; W34-W46 WeakPolarHBondContact O-CA 3.32Å; W34-W46 WeakPolarHBondContact O-CB 3.33Å; W34-W46 PolarHBondContact O-N 2.9Å; Q36-W46 HydrophobicContact CB-CB 4.4Å; Q36-W46 HydrophobicContact CB-CD2 3.79Å; Q36-W46 HydrophobicContact CB-CE3 3.66Å; Q36-W46 HydrophobicContact CB-CG 4.13Å; Q36-W46 HydrophobicContact CB-CZ3 4.24Å; Q36-W46 HydrophobicContact CG-CE3 4.48Å; K44-W46 PolarHBondContact O-N 2.84Å; W46-A54 WeakPolarHBondContact O-CB 3.41Å; W46-A54 PolarHBondContact O-N 2.9Å; W46-V57 HydrophobicContact CD2-CB 4.47Å; W46-V57 HydrophobicContact CD2-CG1 4.06Å; W46-V57 HydrophobicContact CD2-CG2 3.59Å; W46-V57 HydrophobicContact CE3-CG2 3.55Å; W46-V57 HydrophobicContact CG-CG1 4.32Å; W46-V57 HydrophobicContact CG-CG2 4.12Å; W46-V57 HydrophobicContact CH2-CG2 4.18Å; W46-V57 HydrophobicContact CZ2-CG1 3.96Å; W46-V57 HydrophobicContact CZ2-CG2 4.22Å; W46-V57 HydrophobicContact CZ3-CG2 3.86Å; W46-V57 WeakPolarHBondContact O-CG2 3.45Å; W46-F61 AromaticContact CD1-CD1 3.8Å; W46-F61 AromaticContact CE2-CE1 3.96Å; W46-F61 AromaticContact CE2-CZ 3.94Å; W46-F61 HydrophobicContact CZ2-CD2 4.05Å; W46-F61 HydrophobicContact CZ2-CE1 4.21Å; W46-F61 AromaticContact CZ2-CE2 3.63Å; W46-F61 HydrophobicContact CZ2-CE2 3.63Å; W46-F61 AromaticContact CZ2-CZ 3.7Å; W46-F61 HydrophobicContact CZ2-CZ 3.7Å; W46-F61 AromaticContact NE1-CD1 3.04Å; W46-F61 AromaticContact NE1-CD2 3.7Å; W46-F61 AromaticContact NE1-CE1 3.16Å; W46-F61 AromaticContact NE1-CE2 3.85Å; W46-F61 AromaticContact NE1-CG 3.3Å; W46-F61 VanDerWaalsContact NE1-CG 3.3Å; W46-F61 AromaticContact NE1-CZ 3.58Å
47	I	98.5	Very high	97.4	Very high	2 Å²	2	70.5 Å²	70.5	1%	0.01	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138.2	172.6	-56.3	-166.8	0	0	0	108.8	Y33 W34 T50 N52 L53 G63 L72	Y33-I47 CarbonylContact C-O 3.56Å; Y33-I47 WeakPolarHBondContact CA-O 3.45Å; W34-I47 HydrophobicContact CB-CB 4.03Å; W34-I47 HydrophobicContact CB-CG1 4.46Å; W34-I47 HydrophobicContact CG-CB 4.43Å; W34-I47 PolarHBondContact N-O 2.87Å; W34-I47 PolarHBondContact O-N 2.8Å; W34-I47 VanDerWaalsContact O-N 3.11Å; I47-T50 WeakPolarHBondContact CG2-O 3.33Å; I47-N52 CarbonylContact C-O 3.53Å; I47-N52 VanDerWaalsContact CA-O 3.29Å; I47-N52 WeakPolarHBondContact CA-O 3.47Å; I47-N52 WeakPolarHBondContact CG2-O 3.42Å; I47-L53 HydrophobicContact CD1-CD2 3.86Å; I47-L53 HydrophobicContact CG1-CD2 3.87Å; I47-G63 VanDerWaalsContact CD1-N 3.25Å; I47-L72 HydrophobicContact CD1-CD1 3.33Å; I47-L72 HydrophobicContact CG1-CD1 4.05Å
48	Y	97.6	Very high	97.4	Very high	95 Å²	95	69.7 Å²	69.7	37%	0.373	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	156.7	175.5	69.5	-85.7	0	0	0	110.7	T50 N52 L53	Y48-T50 PolarHBondContact O-N 2.85Å; Y48-N52 HydrophobicContact CD1-CB 3.91Å; Y48-N52 VanDerWaalsContact CD1-O 3.28Å; Y48-N52 WeakPolarHBondContact CD1-O 3.35Å; Y48-N52 HydrophobicContact CD2-CB 3.93Å; Y48-N52 HydrophobicContact CE1-CB 3.55Å; Y48-N52 HydrophobicContact CE2-CB 3.57Å; Y48-N52 WeakPolarHBondContact CE2-ND2 3.28Å; Y48-N52 HydrophobicContact CG-CB 4.08Å; Y48-N52 PolarHBondContact N-O 2.83Å; Y48-N52 WeakPolarHBondContact O-CB 3.25Å; Y48-N52 PolarHBondContact O-N 3.07Å; Y48-L53 WeakPolarHBondContact CE1-O 3.33Å
49	R	96.7	Very high	97.5	Very high	142 Å²	142	70.5 Å²	70.5	54%	0.536	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	45.3	-178.4	-67.1	177	-177.4	-168.5	0.5	112.5	Y31 S51	Y31-R49 HydrophobicContact CD1-CB 4.03Å; Y31-R49 HydrophobicContact CD1-CG 4.34Å; Y31-R49 HydrophobicContact CE1-CB 4.38Å; Y31-R49 HydrophobicContact CG-CG 4.46Å; R49-S51 PolarHBondContact O-N 2.87Å
50	T	97.7	Very high	97.6	Very high	16 Å²	16	66.7 Å²	66.7	10%	0.098	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	-43.3	177.5	-54.8	0	0	0	0	115.8	Y31 M32 I47 Y48 G63 G65 Y70	Y31-T50 WeakPolarHBondContact CA-OG1 3.29Å; M32-T50 PolarHBondContact N-OG1 3.17Å; M32-T50 VanDerWaalsContact O-CA 3.25Å; M32-T50 WeakPolarHBondContact O-CA 3.34Å; M32-T50 PolarHBondContact O-N 3.38Å; I47-T50 WeakPolarHBondContact CG2-O 3.33Å; Y48-T50 PolarHBondContact O-N 2.85Å; T50-G63 CarbonylContact O-C 3.59Å; T50-G63 WeakPolarHBondContact O-CA 3.3Å; T50-G65 WeakPolarHBondContact CG2-O 3.34Å; T50-Y70 HydrophobicContact CG2-CD1 3.81Å; T50-Y70 HydrophobicContact CG2-CE1 3.83Å
51	S	98	Very high	97.7	Very high	69 Å²	69	62.4 Å²	62.4	48%	0.483	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.2	-8	-170.4	56.7	0	0	0	0	115.3	R49 G63	R49-S51 PolarHBondContact O-N 2.87Å; S51-G63 WeakPolarHBondContact CB-O 3.28Å
52	N	98.4	Very high	97.8	Very high	67 Å²	67	62.4 Å²	62.4	36%	0.358	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	127.8	-178.3	-64.5	-4.9	0	0	0	111	I47 Y48	I47-N52 CarbonylContact C-O 3.53Å; I47-N52 VanDerWaalsContact CA-O 3.29Å; I47-N52 WeakPolarHBondContact CA-O 3.47Å; I47-N52 WeakPolarHBondContact CG2-O 3.42Å; Y48-N52 HydrophobicContact CD1-CB 3.91Å; Y48-N52 VanDerWaalsContact CD1-O 3.28Å; Y48-N52 WeakPolarHBondContact CD1-O 3.35Å; Y48-N52 HydrophobicContact CD2-CB 3.93Å; Y48-N52 HydrophobicContact CE1-CB 3.55Å; Y48-N52 HydrophobicContact CE2-CB 3.57Å; Y48-N52 WeakPolarHBondContact CE2-ND2 3.28Å; Y48-N52 HydrophobicContact CG-CB 4.08Å; Y48-N52 PolarHBondContact N-O 2.83Å; Y48-N52 WeakPolarHBondContact O-CB 3.25Å; Y48-N52 PolarHBondContact O-N 3.07Å
53	L	98.5	Very high	97.9	Very high	57 Å²	57	58.9 Å²	58.9	30%	0.298	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	134.6	176.7	-60	-176.4	0	0	0	111.2	I47 Y48 V57 F61	I47-L53 HydrophobicContact CD1-CD2 3.86Å; I47-L53 HydrophobicContact CG1-CD2 3.87Å; Y48-L53 WeakPolarHBondContact CE1-O 3.33Å; L53-V57 HydrophobicContact CB-CB 4.22Å; L53-V57 HydrophobicContact CB-CG1 4.36Å; L53-V57 HydrophobicContact CD2-CG1 3.95Å; L53-V57 HydrophobicContact CG-CG1 4.5Å; L53-F61 HydrophobicContact CD2-CB 4.05Å; L53-F61 WeakPolarHBondContact CD2-O 3.2Å
54	A	98.3	Very high	97.9	Very high	16 Å²	16	58.5 Å²	58.5	13%	0.132	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-67.1	162.6	170.1	0	0	0	0	0	111.1	P45 W46 G56 V57	P45-A54 HydrophobicContact CB-CB 4.23Å; P45-A54 WeakPolarHBondContact O-CB 3.25Å; W46-A54 WeakPolarHBondContact O-CB 3.41Å; W46-A54 PolarHBondContact O-N 2.9Å; A54-G56 PolarHBondContact O-N 2.96Å; A54-V57 HydrophobicContact CB-CG2 3.97Å; A54-V57 WeakPolarHBondContact O-CB 3.32Å; A54-V57 WeakPolarHBondContact O-CG2 3.34Å; A54-V57 PolarHBondContact O-N 3.37Å; A54-V57 VanDerWaalsContact O-N 3.13Å
55	S	97.7	Very high	97.9	Very high	133 Å²	133	54.3 Å²	54.3	93%	0.93	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	131.1	-179.9	-175.2	0	0	0	0	111.7	V57	S55-V57 VanDerWaalsContact C-N 3.28Å; S55-V57 PolarHBondContact O-N 2.79Å
56	G	96.6	Very high	97.9	Very high	76 Å²	76	54.7 Å²	54.7	78%	0.784	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	-0.5	-179.8	0	0	0	0	0	114.9	A54 P58	A54-G56 PolarHBondContact O-N 2.96Å; G56-P58 WeakPolarHBondContact O-CD 3.46Å
57	V	97.8	Very high	97.8	Very high	16 Å²	16	54.3 Å²	54.3	10%	0.097	36%	0.355	C	S	.	.			trans	-78.2	126.4	175.6	177	0	0	0	0	110.2	W46 L53 A54 S55 F61	W46-V57 HydrophobicContact CD2-CB 4.47Å; W46-V57 HydrophobicContact CD2-CG1 4.06Å; W46-V57 HydrophobicContact CD2-CG2 3.59Å; W46-V57 HydrophobicContact CE3-CG2 3.55Å; W46-V57 HydrophobicContact CG-CG1 4.32Å; W46-V57 HydrophobicContact CG-CG2 4.12Å; W46-V57 HydrophobicContact CH2-CG2 4.18Å; W46-V57 HydrophobicContact CZ2-CG1 3.96Å; W46-V57 HydrophobicContact CZ2-CG2 4.22Å; W46-V57 HydrophobicContact CZ3-CG2 3.86Å; W46-V57 WeakPolarHBondContact O-CG2 3.45Å; L53-V57 HydrophobicContact CB-CB 4.22Å; L53-V57 HydrophobicContact CB-CG1 4.36Å; L53-V57 HydrophobicContact CD2-CG1 3.95Å; L53-V57 HydrophobicContact CG-CG1 4.5Å; A54-V57 HydrophobicContact CB-CG2 3.97Å; A54-V57 WeakPolarHBondContact O-CB 3.32Å; A54-V57 WeakPolarHBondContact O-CG2 3.34Å; A54-V57 PolarHBondContact O-N 3.37Å; A54-V57 VanDerWaalsContact O-N 3.13Å; S55-V57 VanDerWaalsContact C-N 3.28Å; S55-V57 PolarHBondContact O-N 2.79Å; V57-F61 HydrophobicContact CG1-CB 3.85Å; V57-F61 HydrophobicContact CG1-CD2 3.96Å; V57-F61 HydrophobicContact CG1-CG 4.04Å
58	P	97.9	Very high	97.7	Very high	37 Å²	37	57.6 Å²	57.6	24%	0.24	38%	0.376	C	S	.	.			trans	-62	147.4	-179.5	-27.8	37.7	0	0	0	113.8	G56 R60 F61	G56-P58 WeakPolarHBondContact O-CD 3.46Å; P58-R60 HydrophobicContact CB-CG 3.67Å; P58-R60 PolarHBondContact O-N 3.19Å; P58-F61 HydrophobicContact CB-CD2 4.11Å; P58-F61 HydrophobicContact CB-CE2 4.35Å; P58-F61 HydrophobicContact CG-CD2 4.36Å; P58-F61 HydrophobicContact CG-CE2 4.24Å; P58-F61 WeakPolarHBondContact O-CD2 3.47Å; P58-F61 PolarHBondContact O-N 2.79Å
59	A	97.8	Very high	97.8	Very high	97 Å²	97	56.3 Å²	56.3	80%	0.802	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-11.4	179.2	0	0	0	0	0	114.4	F61	A59-F61 PolarHBondContact O-N 3Å
60	R	97.7	Very high	97.9	Very high	39 Å²	39	49.8 Å²	49.8	15%	0.147	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.5	170.4	54.9	166.3	-176.2	-86.7	5.8	113	P58 I74 S75 S76 E78 E80 D81	P58-R60 HydrophobicContact CB-CG 3.67Å; P58-R60 PolarHBondContact O-N 3.19Å; R60-I74 CarbonylContact O-C 3.59Å; R60-I74 WeakPolarHBondContact O-CA 3.16Å; R60-S75 WeakPolarHBondContact CA-OG 3.41Å; R60-S75 WeakPolarHBondContact CB-OG 3.41Å; R60-S75 PolarHBondContact O-N 2.82Å; R60-S75 PolarHBondContact O-OG 2.94Å; R60-S76 WeakPolarHBondContact CD-O 3.34Å; R60-E78 IonicContact CZ-OE1 2.96Å; R60-E78 IonicContact CZ-OE2 3.53Å; R60-E78 IonicContact NE-OE1 3.85Å; R60-E78 IonicContact NE-OE2 3.38Å; R60-E78 IonicContact NH1-OE1 2.76Å; R60-E78 PolarHBondContact NH1-OE1 2.78Å; R60-E78 IonicContact NH1-OE2 3.35Å; R60-E78 PolarHBondContact NH1-OE2 3.01Å; R60-E78 IonicContact NH2-OE2 2.82Å; R60-E78 PolarHBondContact NH2-OE2 3.37Å; R60-E80 IonicContact NH2-OE1 3.55Å; R60-E80 PolarHBondContact NH2-OE1 2.91Å; R60-D81 IonicContact CZ-OD1 3.62Å; R60-D81 IonicContact CZ-OD2 3.45Å; R60-D81 IonicContact NE-OD1 2.91Å; R60-D81 PolarHBondContact NE-OD1 3.11Å; R60-D81 IonicContact NE-OD2 2.8Å; R60-D81 PolarHBondContact NE-OD2 2.9Å; R60-D81 IonicContact NH2-OD1 2.9Å; R60-D81 PolarHBondContact NH2-OD1 3.06Å; R60-D81 IonicContact NH2-OD2 3.76Å
61	F	98.6	Very high	97.9	Very high	3 Å²	3	49.8 Å²	49.8	1%	0.013	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	146.3	174.2	-68.5	-91.1	0	0	0	111	W46 L53 V57 P58 A59 L72 T73 I74 D81 Y85	W46-F61 AromaticContact CD1-CD1 3.8Å; W46-F61 AromaticContact CE2-CE1 3.96Å; W46-F61 AromaticContact CE2-CZ 3.94Å; W46-F61 HydrophobicContact CZ2-CD2 4.05Å; W46-F61 HydrophobicContact CZ2-CE1 4.21Å; W46-F61 AromaticContact CZ2-CE2 3.63Å; W46-F61 HydrophobicContact CZ2-CE2 3.63Å; W46-F61 AromaticContact CZ2-CZ 3.7Å; W46-F61 HydrophobicContact CZ2-CZ 3.7Å; W46-F61 AromaticContact NE1-CD1 3.04Å; W46-F61 AromaticContact NE1-CD2 3.7Å; W46-F61 AromaticContact NE1-CE1 3.16Å; W46-F61 AromaticContact NE1-CE2 3.85Å; W46-F61 AromaticContact NE1-CG 3.3Å; W46-F61 VanDerWaalsContact NE1-CG 3.3Å; W46-F61 AromaticContact NE1-CZ 3.58Å; L53-F61 HydrophobicContact CD2-CB 4.05Å; L53-F61 WeakPolarHBondContact CD2-O 3.2Å; V57-F61 HydrophobicContact CG1-CB 3.85Å; V57-F61 HydrophobicContact CG1-CD2 3.96Å; V57-F61 HydrophobicContact CG1-CG 4.04Å; P58-F61 HydrophobicContact CB-CD2 4.11Å; P58-F61 HydrophobicContact CB-CE2 4.35Å; P58-F61 HydrophobicContact CG-CD2 4.36Å; P58-F61 HydrophobicContact CG-CE2 4.24Å; P58-F61 WeakPolarHBondContact O-CD2 3.47Å; P58-F61 PolarHBondContact O-N 2.79Å; A59-F61 PolarHBondContact O-N 3Å; F61-L72 HydrophobicContact CD1-CD1 4.28Å; F61-T73 CarbonylContact C-O 3.12Å; F61-T73 WeakPolarHBondContact CA-O 3.28Å; F61-I74 HydrophobicContact CD1-CB 4.4Å; F61-I74 HydrophobicContact CD1-CD1 4.27Å; F61-I74 HydrophobicContact CD1-CG1 3.75Å; F61-I74 HydrophobicContact CD1-CG2 4.28Å; F61-I74 HydrophobicContact CE1-CB 4.26Å; F61-I74 HydrophobicContact CE1-CD1 3.49Å; F61-I74 VanDerWaalsContact CE1-CD1 3.49Å; F61-I74 HydrophobicContact CE1-CG1 3.47Å; F61-I74 VanDerWaalsContact CE1-CG1 3.47Å; F61-I74 HydrophobicContact CE1-CG2 3.97Å; F61-I74 HydrophobicContact CE2-CG2 4.39Å; F61-I74 HydrophobicContact CZ-CD1 4.1Å; F61-I74 HydrophobicContact CZ-CG1 4.3Å; F61-I74 HydrophobicContact CZ-CG2 4.01Å; F61-D81 HydrophobicContact CZ-CB 4.11Å; F61-D81 VanDerWaalsContact CZ-OD1 3.32Å; F61-D81 WeakPolarHBondContact CZ-OD1 3.12Å; F61-Y85 HydrophobicContact CE1-CE1 4.08Å
62	S	98.4	Very high	97.9	Very high	56 Å²	56	46.6 Å²	46.6	39%	0.392	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	148.3	172.2	54.5	0	0	0	0	110.1	T73	S62-T73 PolarHBondContact N-O 2.9Å; S62-T73 PolarHBondContact O-N 2.95Å
63	G	98.4	Very high	97.9	Very high	9 Å²	9	44.2 Å²	44.2	9%	0.093	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.3	173.7	0	0	0	0	0	109.4	I47 T50 S51 S71	I47-G63 VanDerWaalsContact CD1-N 3.25Å; T50-G63 CarbonylContact O-C 3.59Å; T50-G63 WeakPolarHBondContact O-CA 3.3Å; S51-G63 WeakPolarHBondContact CB-O 3.28Å; G63-S71 WeakPolarHBondContact CA-O 3.34Å
64	S	98	Very high	97.9	Very high	58 Å²	58	41.6 Å²	41.6	41%	0.406	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	165.3	-179.5	78	0	0	0	0	111.1	Y70 S71	S64-Y70 CarbonylContact O-C 3.56Å; S64-Y70 VanDerWaalsContact O-CA 3.3Å; S64-Y70 WeakPolarHBondContact O-CA 3.45Å; S64-S71 PolarHBondContact N-O 2.92Å; S64-S71 PolarHBondContact O-N 2.89Å; S64-S71 PolarHBondContact OG-OG 2.85Å
65	G	97.5	Very high	97.9	Very high	39 Å²	39	44 Å²	44	40%	0.402	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	124.1	174.1	175.7	0	0	0	0	0	114.2	T50 S69	T50-G65 WeakPolarHBondContact CG2-O 3.34Å; G65-S69 CarbonylContact C-O 3.56Å; G65-S69 WeakPolarHBondContact CA-O 3.14Å
66	S	97.3	Very high	97.9	Very high	92 Å²	92	39.9 Å²	39.9	64%	0.643	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-164.8	162.5	178.7	60.7	0	0	0	0	110	T68 S69	S66-T68 PolarHBondContact O-N 2.83Å; S66-S69 PolarHBondContact N-O 2.78Å; S66-S69 PolarHBondContact O-N 2.91Å; S66-S69 VanDerWaalsContact O-N 3.16Å
67	G	96.2	Very high	97.9	Very high	22 Å²	22	37.5 Å²	37.5	23%	0.227	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	63.1	-108.9	178.2	0	0	0	0	0	111.3	S28 V29 Y70	S28-G67 WeakPolarHBondContact CA-O 3.44Å; S28-G67 WeakPolarHBondContact OG-CA 3.29Å; V29-G67 PolarHBondContact N-O 2.82Å; G67-Y70 PolarHBondContact N-OH 3.3Å; G67-Y70 VanDerWaalsContact O-CE2 3.28Å; G67-Y70 WeakPolarHBondContact O-CE2 3.21Å; G67-Y70 PolarHBondContact O-OH 3.28Å
68	T	97.5	Very high	97.9	Very high	71 Å²	71	40 Å²	40	44%	0.436	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-6.1	-177	53.8	0	0	0	0	114.1	S24 A25 S66	S24-T68 CarbonylContact C-O 3.52Å; S24-T68 VanDerWaalsContact CA-O 3.31Å; S24-T68 WeakPolarHBondContact CA-O 3.47Å; A25-T68 PolarHBondContact N-O 3.48Å; A25-T68 WeakPolarHBondContact O-CB 3.44Å; S66-T68 PolarHBondContact O-N 2.83Å
69	S	98.1	Very high	97.8	Very high	68 Å²	68	42.2 Å²	42.2	48%	0.476	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	121.3	-171.4	-172.5	0	0	0	0	111.3	G65 S66	G65-S69 CarbonylContact C-O 3.56Å; G65-S69 WeakPolarHBondContact CA-O 3.14Å; S66-S69 PolarHBondContact N-O 2.78Å; S66-S69 PolarHBondContact O-N 2.91Å; S66-S69 VanDerWaalsContact O-N 3.16Å
70	Y	98.4	Very high	97.7	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	157.1	-178.6	-63.6	-87.1	0	0	0	111.3	S22 C23 V29 M32 T50 S64 G67	S22-Y70 CarbonylContact C-O 3.48Å; S22-Y70 WeakPolarHBondContact CA-O 3.48Å; C23-Y70 PolarHBondContact N-O 2.99Å; C23-Y70 PolarHBondContact O-N 3.19Å; V29-Y70 HydrophobicContact CG2-CD2 4.37Å; V29-Y70 HydrophobicContact CG2-CE2 3.4Å; V29-Y70 PolarHBondContact O-OH 2.84Å; M32-Y70 HydrophobicContact CB-CD1 3.39Å; M32-Y70 HydrophobicContact CB-CD2 4.15Å; M32-Y70 HydrophobicContact CB-CE1 3.82Å; M32-Y70 HydrophobicContact CB-CG 3.57Å; M32-Y70 HydrophobicContact CE-CD2 3.41Å; M32-Y70 VanDerWaalsContact CE-CD2 3.41Å; M32-Y70 HydrophobicContact CE-CE2 3.92Å; M32-Y70 HydrophobicContact CE-CG 3.87Å; M32-Y70 HydrophobicContact CG-CD1 4.21Å; M32-Y70 HydrophobicContact CG-CD2 4.42Å; M32-Y70 HydrophobicContact CG-CG 3.91Å; T50-Y70 HydrophobicContact CG2-CD1 3.81Å; T50-Y70 HydrophobicContact CG2-CE1 3.83Å; S64-Y70 CarbonylContact O-C 3.56Å; S64-Y70 VanDerWaalsContact O-CA 3.3Å; S64-Y70 WeakPolarHBondContact O-CA 3.45Å; G67-Y70 PolarHBondContact N-OH 3.3Å; G67-Y70 VanDerWaalsContact O-CE2 3.28Å; G67-Y70 WeakPolarHBondContact O-CE2 3.21Å; G67-Y70 PolarHBondContact O-OH 3.28Å
71	S	98.3	Very high	97.6	Very high	17 Å²	17	40.5 Å²	40.5	12%	0.119	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	151.6	173.4	64.6	0	0	0	0	112.5	I21 G63 S64	I21-S71 CarbonylContact O-C 3.52Å; I21-S71 WeakPolarHBondContact O-CA 3.3Å; I21-S71 WeakPolarHBondContact O-CB 3.26Å; G63-S71 WeakPolarHBondContact CA-O 3.34Å; S64-S71 PolarHBondContact N-O 2.92Å; S64-S71 PolarHBondContact O-N 2.89Å; S64-S71 PolarHBondContact OG-OG 2.85Å
72	L	98.5	Very high	97.5	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125.7	163.9	173.2	67.6	0	0	0	107.6	T20 I21 W34 I47 F61 Y85	T20-L72 CarbonylContact C-O 3.54Å; T20-L72 WeakPolarHBondContact CA-O 3.01Å; I21-L72 HydrophobicContact CB-CB 4.47Å; I21-L72 HydrophobicContact CD1-CD2 4.4Å; I21-L72 PolarHBondContact N-O 2.79Å; I21-L72 PolarHBondContact O-N 2.87Å; W34-L72 HydrophobicContact CD2-CB 3.66Å; W34-L72 HydrophobicContact CD2-CD2 4.15Å; W34-L72 HydrophobicContact CD2-CG 4.39Å; W34-L72 HydrophobicContact CE3-CB 3.89Å; W34-L72 HydrophobicContact CE3-CD2 3.88Å; W34-L72 HydrophobicContact CG-CB 4.21Å; W34-L72 HydrophobicContact CG-CD1 4.43Å; W34-L72 HydrophobicContact CG-CD2 4.45Å; W34-L72 HydrophobicContact CH2-CB 3.95Å; W34-L72 HydrophobicContact CZ2-CB 3.75Å; W34-L72 HydrophobicContact CZ3-CB 4.02Å; W34-L72 HydrophobicContact CZ3-CD2 4.38Å; I47-L72 HydrophobicContact CD1-CD1 3.33Å; I47-L72 HydrophobicContact CG1-CD1 4.05Å; F61-L72 HydrophobicContact CD1-CD1 4.28Å; L72-Y85 HydrophobicContact CD2-CD1 3.38Å; L72-Y85 HydrophobicContact CD2-CE1 3.96Å; L72-Y85 HydrophobicContact CD2-CG 3.76Å
73	T	98.5	Very high	97.4	Very high	18 Å²	18	42.1 Å²	42.1	11%	0.11	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.9	178.1	-66.7	0	0	0	0	110.1	K18 V19 T20 F61 S62	K18-T73 HydrophobicContact CD-CG2 4.43Å; K18-T73 VanDerWaalsContact CE-CG2 3.44Å; K18-T73 HydrophobicContact CG-CG2 4.19Å; V19-T73 CarbonylContact O-C 3.56Å; V19-T73 VanDerWaalsContact O-CA 3.28Å; V19-T73 WeakPolarHBondContact O-CA 3.04Å; T20-T73 PolarHBondContact OG1-OG1 2.91Å; F61-T73 CarbonylContact C-O 3.12Å; F61-T73 WeakPolarHBondContact CA-O 3.28Å; S62-T73 PolarHBondContact N-O 2.9Å; S62-T73 PolarHBondContact O-N 2.95Å
74	I	98.3	Very high	97.4	Very high	1 Å²	1	45 Å²	45	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	114.6	167.2	-38.5	-179.2	0	0	0	105.6	K18 V19 R60 F61 S76 M77 D81 Y85	K18-I74 CarbonylContact C-O 3.5Å; K18-I74 WeakPolarHBondContact CA-O 3.42Å; V19-I74 HydrophobicContact CB-CB 4.08Å; V19-I74 HydrophobicContact CB-CD1 4.18Å; V19-I74 HydrophobicContact CB-CG1 4.1Å; V19-I74 HydrophobicContact CG1-CD1 4.04Å; V19-I74 HydrophobicContact CG1-CG1 4.16Å; V19-I74 PolarHBondContact N-O 2.83Å; V19-I74 PolarHBondContact O-N 2.81Å; R60-I74 CarbonylContact O-C 3.59Å; R60-I74 WeakPolarHBondContact O-CA 3.16Å; F61-I74 HydrophobicContact CD1-CB 4.4Å; F61-I74 HydrophobicContact CD1-CD1 4.27Å; F61-I74 HydrophobicContact CD1-CG1 3.75Å; F61-I74 HydrophobicContact CD1-CG2 4.28Å; F61-I74 HydrophobicContact CE1-CB 4.26Å; F61-I74 HydrophobicContact CE1-CD1 3.49Å; F61-I74 VanDerWaalsContact CE1-CD1 3.49Å; F61-I74 HydrophobicContact CE1-CG1 3.47Å; F61-I74 VanDerWaalsContact CE1-CG1 3.47Å; F61-I74 HydrophobicContact CE1-CG2 3.97Å; F61-I74 HydrophobicContact CE2-CG2 4.39Å; F61-I74 HydrophobicContact CZ-CD1 4.1Å; F61-I74 HydrophobicContact CZ-CG1 4.3Å; F61-I74 HydrophobicContact CZ-CG2 4.01Å; I74-S76 VanDerWaalsContact C-N 3.35Å; I74-M77 HydrophobicContact CD1-SD 3.79Å; I74-D81 HydrophobicContact CD1-CB 4.38Å; I74-Y85 HydrophobicContact CD1-CE2 4.46Å
75	S	98.1	Very high	97.4	Very high	68 Å²	68	43 Å²	43	48%	0.476	29%	0.291	S	S	.	.	S	Bend	trans	-71.7	-31.5	-174.5	61.7	0	0	0	0	113	R60	R60-S75 WeakPolarHBondContact CA-OG 3.41Å; R60-S75 WeakPolarHBondContact CB-OG 3.41Å; R60-S75 PolarHBondContact O-N 2.82Å; R60-S75 PolarHBondContact O-OG 2.94Å
76	S	97.8	Very high	97.4	Very high	45 Å²	45	45.8 Å²	45.8	32%	0.315	29%	0.29	S	S	.	.	S	Bend	trans	-144.2	105.1	177.6	172.4	0	0	0	0	108.5	R60 I74	R60-S76 WeakPolarHBondContact CD-O 3.34Å; I74-S76 VanDerWaalsContact C-N 3.35Å
77	M	97.3	Very high	97.4	Very high	27 Å²	27	42.3 Å²	42.3	13%	0.133	27%	0.265	C	S	.	.			trans	-63.5	135.8	-179.6	-170.7	70.4	-178.1	0	0	111.5	A13 P15 G16 E17 V19 I74 D81	A13-M77 HydrophobicContact CB-CB 4.5Å; A13-M77 HydrophobicContact CB-CG 4.11Å; P15-M77 CarbonylContact C-O 3.53Å; P15-M77 VanDerWaalsContact CA-O 3.27Å; P15-M77 WeakPolarHBondContact CA-O 3.21Å; G16-M77 PolarHBondContact N-O 3.43Å; E17-M77 WeakPolarHBondContact O-CB 3.45Å; E17-M77 PolarHBondContact O-N 2.91Å; V19-M77 HydrophobicContact CG2-CB 4.24Å; V19-M77 HydrophobicContact CG2-CG 4.3Å; V19-M77 HydrophobicContact CG2-SD 3.85Å; I74-M77 HydrophobicContact CD1-SD 3.79Å; M77-D81 HydrophobicContact CE-CB 3.71Å; M77-D81 HydrophobicContact SD-CB 3.73Å
78	E	97.5	Very high	97.4	Very high	67 Å²	67	43.9 Å²	43.9	31%	0.313	27%	0.266	S	S	.	.			trans	-119.6	162.7	170.2	-68.4	170	-155.2	0	0	111	R60 E80 D81	R60-E78 IonicContact CZ-OE1 2.96Å; R60-E78 IonicContact CZ-OE2 3.53Å; R60-E78 IonicContact NE-OE1 3.85Å; R60-E78 IonicContact NE-OE2 3.38Å; R60-E78 IonicContact NH1-OE1 2.76Å; R60-E78 PolarHBondContact NH1-OE1 2.78Å; R60-E78 IonicContact NH1-OE2 3.35Å; R60-E78 PolarHBondContact NH1-OE2 3.01Å; R60-E78 IonicContact NH2-OE2 2.82Å; R60-E78 PolarHBondContact NH2-OE2 3.37Å; E78-E80 VanDerWaalsContact C-N 3.25Å; E78-E80 HydrophobicContact CB-CG 4.4Å; E78-E80 WeakPolarHBondContact CB-OE2 3.3Å; E78-E80 PolarHBondContact O-N 2.71Å; E78-D81 PolarHBondContact N-OD2 2.96Å; E78-D81 WeakPolarHBondContact O-CB 3.4Å; E78-D81 PolarHBondContact O-N 2.78Å
79	A	95.4	Very high	97.3	Very high	84 Å²	84	41.5 Å²	41.5	69%	0.694	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-61.9	-34.3	-175.8	0	0	0	0	0	112.3	D81 A82	A79-D81 PolarHBondContact O-N 2.95Å; A79-A82 WeakPolarHBondContact O-CB 3.46Å; A79-A82 PolarHBondContact O-N 3.27Å
80	E	95.1	Very high	96.9	Very high	98 Å²	98	42.9 Å²	42.9	46%	0.458	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-71.7	-12	176.7	65.5	-101.1	-133.8	0	0	114.9	K38 R60 E78 A82	K38-E80 WeakPolarHBondContact CE-O 3.31Å; K38-E80 PolarHBondContact NZ-O 3.16Å; R60-E80 IonicContact NH2-OE1 3.55Å; R60-E80 PolarHBondContact NH2-OE1 2.91Å; E78-E80 VanDerWaalsContact C-N 3.25Å; E78-E80 HydrophobicContact CB-CG 4.4Å; E78-E80 WeakPolarHBondContact CB-OE2 3.3Å; E78-E80 PolarHBondContact O-N 2.71Å; E80-A82 VanDerWaalsContact C-N 3.25Å
81	D	96.6	Very high	96.3	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.011	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-82.1	-8.7	-179.5	-60.4	-27.4	0	0	0	111.6	R60 F61 I74 M77 E78 A79 A83 Y85	R60-D81 IonicContact CZ-OD1 3.62Å; R60-D81 IonicContact CZ-OD2 3.45Å; R60-D81 IonicContact NE-OD1 2.91Å; R60-D81 PolarHBondContact NE-OD1 3.11Å; R60-D81 IonicContact NE-OD2 2.8Å; R60-D81 PolarHBondContact NE-OD2 2.9Å; R60-D81 IonicContact NH2-OD1 2.9Å; R60-D81 PolarHBondContact NH2-OD1 3.06Å; R60-D81 IonicContact NH2-OD2 3.76Å; F61-D81 HydrophobicContact CZ-CB 4.11Å; F61-D81 VanDerWaalsContact CZ-OD1 3.32Å; F61-D81 WeakPolarHBondContact CZ-OD1 3.12Å; I74-D81 HydrophobicContact CD1-CB 4.38Å; M77-D81 HydrophobicContact CE-CB 3.71Å; M77-D81 HydrophobicContact SD-CB 3.73Å; E78-D81 PolarHBondContact N-OD2 2.96Å; E78-D81 WeakPolarHBondContact O-CB 3.4Å; E78-D81 PolarHBondContact O-N 2.78Å; A79-D81 PolarHBondContact O-N 2.95Å; D81-A83 PolarHBondContact O-N 2.83Å; D81-Y85 WeakPolarHBondContact O-CE2 3.31Å; D81-Y85 PolarHBondContact O-OH 3.38Å
82	A	96.1	Very high	95.7	Very high	65 Å²	65	49.4 Å²	49.4	54%	0.537	28%	0.278	S	S	.	.			trans	-62.7	101.6	172.2	0	0	0	0	0	110.5	A79 E80	A79-A82 WeakPolarHBondContact O-CB 3.46Å; A79-A82 PolarHBondContact O-N 3.27Å; E80-A82 VanDerWaalsContact C-N 3.25Å
83	A	97.1	Very high	94.8	Very high	28 Å²	28	57.2 Å²	57.2	23%	0.231	31%	0.308	C	S	.	.	S	Bend	trans	-160.7	169.2	-175.8	0	0	0	0	0	109.9	Q36 Q37 K38 D81 Y85	Q36-A83 HydrophobicContact CG-CB 3.45Å; Q36-A83 VanDerWaalsContact CG-CB 3.45Å; Q37-A83 WeakPolarHBondContact O-CB 3.19Å; K38-A83 HydrophobicContact CG-CB 4.16Å; D81-A83 PolarHBondContact O-N 2.83Å; A83-Y85 HydrophobicContact CB-CE2 4.12Å
84	T	97.8	Very high	93.5	Very high	71 Å²	71	64.4 Å²	64.4	44%	0.436	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	134.8	165.7	-48.2	0	0	0	0	109.5	Q37 Y86	Q37-T84 PolarHBondContact N-O 3.13Å; Q37-T84 PolarHBondContact O-N 2.92Å; T84-Y86 HydrophobicContact CG2-CD2 4.38Å; T84-Y86 HydrophobicContact CG2-CE1 3.83Å; T84-Y86 HydrophobicContact CG2-CE2 3.62Å; T84-Y86 VanDerWaalsContact CG2-OH 3.31Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.4Å
85	Y	98	Very high	93.2	Very high	15 Å²	15	67.6 Å²	67.6	6%	0.059	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.1	177.3	-64.3	-91.6	0	0	0	110.5	Q6 I21 Y35 Q36 F61 L72 I74 D81 A83	Q6-Y85 PolarHBondContact NE2-O 3.47Å; Q6-Y85 PolarHBondContact OE1-O 2.03Å; I21-Y85 HydrophobicContact CD1-CD2 3.76Å; I21-Y85 HydrophobicContact CD1-CG 4.01Å; Y35-Y85 CarbonylContact O-C 3.57Å; Y35-Y85 VanDerWaalsContact O-CA 3.26Å; Y35-Y85 WeakPolarHBondContact O-CA 3.45Å; Q36-Y85 HydrophobicContact CB-CD1 4.11Å; Q36-Y85 HydrophobicContact CB-CE1 3.86Å; Q36-Y85 HydrophobicContact CG-CD1 4.24Å; Q36-Y85 HydrophobicContact CG-CE1 3.69Å; Q36-Y85 PolarHBondContact NE2-OH 3.27Å; F61-Y85 HydrophobicContact CE1-CE1 4.08Å; L72-Y85 HydrophobicContact CD2-CD1 3.38Å; L72-Y85 HydrophobicContact CD2-CE1 3.96Å; L72-Y85 HydrophobicContact CD2-CG 3.76Å; I74-Y85 HydrophobicContact CD1-CE2 4.46Å; D81-Y85 WeakPolarHBondContact O-CE2 3.31Å; D81-Y85 PolarHBondContact O-OH 3.38Å; A83-Y85 HydrophobicContact CB-CE2 4.12Å
86	Y	97.8	Very high	93	Very high	98 Å²	98	67.6 Å²	67.6	38%	0.384	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.4	-178.6	-59.3	-78.9	0	0	0	111	W34 Y35 Q37 T84	W34-Y86 CarbonylContact C-O 3.54Å; W34-Y86 VanDerWaalsContact CA-O 3.3Å; W34-Y86 WeakPolarHBondContact CA-O 3.47Å; Y35-Y86 PolarHBondContact N-O 3.16Å; Y35-Y86 PolarHBondContact O-N 3.01Å; Q37-Y86 HydrophobicContact CB-CD2 4.38Å; Q37-Y86 HydrophobicContact CB-CE2 3.86Å; Q37-Y86 VanDerWaalsContact OE1-CE2 3.24Å; Q37-Y86 PolarHBondContact OE1-OH 2.92Å; T84-Y86 HydrophobicContact CG2-CD2 4.38Å; T84-Y86 HydrophobicContact CG2-CE1 3.83Å; T84-Y86 HydrophobicContact CG2-CE2 3.62Å; T84-Y86 VanDerWaalsContact CG2-OH 3.31Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.4Å
87	C	97.5	Very high	92.7	Very high	18 Å²	18	68.8 Å²	68.8	12%	0.122	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	146.3	171.7	70.2	0	0	0	0	110.9	L4 Q6 C23 M32 Y33 W34	L4-C87 WeakPolarHBondContact CD1-O 3.38Å; Q6-C87 VanDerWaalsContact CG-SG 3.6Å; Q6-C87 PolarHBondContact OE1-SG 2.81Å; C23-C87 HydrophobicContact CB-CB 3.5Å; C23-C87 VanDerWaalsContact CB-CB 3.5Å; C23-C87 WeakPolarHBondContact CB-SG 3.34Å; C23-C87 WeakPolarHBondContact SG-CB 3.32Å; C23-C87 CovalentContact SG-SG 2.03Å; C23-C87 PolarHBondContact SG-SG 3.38Å; M32-C87 HydrophobicContact CG-CB 4.22Å; M32-C87 HydrophobicContact SD-CB 3.64Å; Y33-C87 CarbonylContact O-C 3.51Å; Y33-C87 WeakPolarHBondContact O-CA 3.43Å; W34-C87 HydrophobicContact CD2-CB 4.06Å; W34-C87 HydrophobicContact CE3-CB 3.89Å; W34-C87 HydrophobicContact CH2-CB 3.88Å; W34-C87 HydrophobicContact CZ2-CB 4.02Å; W34-C87 HydrophobicContact CZ3-CB 3.8Å
88	Q	96.5	Very high	92.5	Very high	56 Å²	56	71.3 Å²	71.3	26%	0.262	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	142.9	-178.8	-161	-138.9	-51.8	0	0	110.8	Y33 Y35 Y90	Y33-Q88 PolarHBondContact N-O 2.86Å; Y33-Q88 PolarHBondContact O-N 2.86Å; Y35-Q88 HydrophobicContact CD2-CB 4.34Å; Y35-Q88 HydrophobicContact CE2-CB 3.78Å; Y35-Q88 HydrophobicContact CE2-CG 4.49Å; Y35-Q88 VanDerWaalsContact CE2-OE1 3.28Å; Y35-Q88 PolarHBondContact OH-OE1 3.49Å; Q88-Y90 VanDerWaalsContact NE2-CD1 3.32Å; Q88-Y90 PolarHBondContact OE1-OH 2.98Å
89	Q	94.3	Very high	92.1	Very high	21 Å²	21	71.6 Å²	71.6	10%	0.098	39%	0.389	C	S	.	.			trans	-114.4	159.2	170.1	61.5	75.5	30.7	0	0	110.3	I2 L4 V29 S92	I2-Q89 HydrophobicContact CB-CG 4.39Å; I2-Q89 HydrophobicContact CG2-CG 4.08Å; L4-Q89 HydrophobicContact CD1-CG 4.11Å; L4-Q89 HydrophobicContact CD2-CG 4.1Å; L4-Q89 HydrophobicContact CG-CG 4.31Å; V29-Q89 HydrophobicContact CB-CB 4.24Å; V29-Q89 HydrophobicContact CG1-CB 3.86Å; V29-Q89 HydrophobicContact CG1-CG 4.04Å; V29-Q89 HydrophobicContact CG2-CB 4.35Å; Q89-S92 PolarHBondContact NE2-O 2.88Å
90	Y	89.6	Confident	91.9	Very high	97 Å²	97	70.7 Å²	70.7	38%	0.38	37%	0.368	S	S	.	.	S	Bend	trans	-121.3	8.2	178.1	-71.1	-83	0	0	0	113.4	Y33 Y35 Q88 Y93	Y33-Y90 AromaticContact CD1-CE2 3.83Å; Y33-Y90 HydrophobicContact CD1-CE2 3.83Å; Y33-Y90 AromaticContact CD2-CD2 3.49Å; Y33-Y90 HydrophobicContact CD2-CD2 3.49Å; Y33-Y90 VanDerWaalsContact CD2-CD2 3.49Å; Y33-Y90 AromaticContact CD2-CE2 3.53Å; Y33-Y90 HydrophobicContact CD2-CE2 3.53Å; Y33-Y90 HydrophobicContact CE1-CD2 4.41Å; Y33-Y90 AromaticContact CE1-CE2 3.92Å; Y33-Y90 HydrophobicContact CE1-CE2 3.92Å; Y33-Y90 AromaticContact CE2-CD2 3.38Å; Y33-Y90 HydrophobicContact CE2-CD2 3.38Å; Y33-Y90 AromaticContact CE2-CE2 3.66Å; Y33-Y90 HydrophobicContact CE2-CE2 3.66Å; Y33-Y90 HydrophobicContact CG-CD2 4.12Å; Y33-Y90 AromaticContact CG-CE2 3.64Å; Y33-Y90 HydrophobicContact CG-CE2 3.64Å; Y33-Y90 AromaticContact CZ-CD2 3.87Å; Y33-Y90 AromaticContact CZ-CE2 3.85Å; Y35-Y90 PolarHBondContact OH-OH 2.76Å; Q88-Y90 VanDerWaalsContact NE2-CD1 3.32Å; Q88-Y90 PolarHBondContact OE1-OH 2.98Å; Y90-Y93 HydrophobicContact CD1-CE1 4.42Å
91	H	86.6	Confident	91.7	Very high	127 Å²	127	68.8 Å²	68.8	59%	0.588	36%	0.362	S	S	*	.	S	Bend	trans	-76	-32.6	-178.6	-165.6	65.3	0	0	0	112.8	I2 V29	I2-H91 HydrophobicContact CD1-CB 4.12Å; V29-H91 HydrophobicContact CG1-CB 4.26Å
92	S	84.6	Confident	91.3	Very high	31 Å²	31	73.9 Å²	73.9	22%	0.217	39%	0.389	C	S	.	.			trans	-137.4	127.1	178.8	178.8	0	0	0	0	109.9	Q89	Q89-S92 PolarHBondContact NE2-O 2.88Å
93	Y	80.4	Confident	90.9	Very high	165 Å²	165	74.7 Å²	74.7	65%	0.647	38%	0.377	S	S	*	.			trans	-87.2	151.2	166.3	-57.8	-80.8	0	0	0	109.3	Y90	Y90-Y93 HydrophobicContact CD1-CE1 4.42Å
94	P	70.8	Confident	90.4	Very high	169 Å²	169	78.9 Å²	78.9	100%	1.097	39%	0.39	S	S	*	.			trans	-63	0	171	26.7	-32.3	0	0	0	112

Retrieved 94 of 94 residues in 66.9 ms (Link to these results)

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