A0A075B677_MOUSE Loading...

Immunoglobulin kappa variable 4-53

AlphaFold DB , UniProt , Accession A0A075B677, Species MOUSE (Mus musculus, Mouse), Gene Igkv4-53, Length 97 aa.

						>A0A075B677_MOUSE|A0A075B677|Igkv4-53
EIVLTQSPALMAASPGEKVTITCSVSSSISSSNLHWYQQKSETSPKPWIYGTSNLASGVPVRFSGSGSGTSYSLTISSMEAEDAATYYCQQWSSYPL
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	E	83.5	Confident	95	Very high	210 Å²	210	89.9 Å²	89.9	98%	0.981	51%	0.512	S	S	*	.				0	139.5	0	-173.6	179.3	-179	0	0	109	V3 S26	E1-V3 HydrophobicContact CG-CG2 4.32Å; E1-S26 PolarHBondContact O-OG 3.03Å
2	I	92.1	Very high	95	Very high	31 Å²	31	90.7 Å²	90.7	16%	0.159	54%	0.538	C	S	.	.			trans	-105.2	115.4	177.7	-55	-175.8	0	0	0	108.3	V25 S26 I29 Q91 S93 S94	I2-V25 HydrophobicContact CG2-CG1 3.29Å; I2-S26 WeakPolarHBondContact CA-OG 3.24Å; I2-I29 HydrophobicContact CD1-CG2 3.95Å; I2-I29 HydrophobicContact CG2-CG2 4.48Å; I2-Q91 HydrophobicContact CB-CG 4.19Å; I2-Q91 HydrophobicContact CG2-CG 3.73Å; I2-S93 WeakPolarHBondContact CD1-OG 3.5Å; I2-S94 WeakPolarHBondContact CD1-OG 3.43Å
3	V	94.9	Very high	95	Very high	70 Å²	70	86.2 Å²	86.2	42%	0.424	52%	0.517	S	S	.	.			trans	-105.7	134.7	-178.2	-177.7	0	0	0	0	108.6	E1 V25 S26	E1-V3 HydrophobicContact CG-CG2 4.32Å; V3-V25 WeakPolarHBondContact O-CA 3.47Å; V3-S26 PolarHBondContact N-OG 2.84Å; V3-S26 PolarHBondContact O-N 3.03Å
4	L	96.1	Very high	95.1	Very high	52 Å²	52	84.9 Å²	84.9	27%	0.272	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.7	176.2	-61.3	91.1	0	0	0	109.4	S24 C89 Q91	L4-S24 WeakPolarHBondContact CA-O 3.34Å; L4-C89 HydrophobicContact CD2-CB 4.32Å; L4-Q91 HydrophobicContact CD1-CB 4.31Å; L4-Q91 HydrophobicContact CD1-CG 3.63Å; L4-Q91 HydrophobicContact CD2-CB 4.17Å; L4-Q91 HydrophobicContact CD2-CG 4.39Å; L4-Q91 HydrophobicContact CG-CG 4.43Å
5	T	97.9	Very high	95.2	Very high	83 Å²	83	86.5 Å²	86.5	51%	0.509	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.6	175.3	52.2	0	0	0	0	109.2	C23 S24	T5-C23 CarbonylContact O-C 3.54Å; T5-C23 WeakPolarHBondContact O-CA 3.35Å; T5-S24 PolarHBondContact N-O 2.73Å; T5-S24 PolarHBondContact O-N 3.32Å; T5-S24 WeakPolarHBondContact OG1-CB 3.46Å; T5-S24 PolarHBondContact OG1-O 3.4Å
6	Q	98.4	Very high	95.3	Very high	67 Å²	67	84 Å²	84	31%	0.313	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	144.8	-178.9	-75.5	-179.6	-122.5	0	0	111.8	T22 C23 Y87 Y88 C89	Q6-T22 VanDerWaalsContact CA-O 3.23Å; Q6-T22 WeakPolarHBondContact CA-O 3.26Å; Q6-C23 HydrophobicContact CG-CB 4.31Å; Q6-Y87 PolarHBondContact NE2-O 3.02Å; Q6-Y88 VanDerWaalsContact OE1-CA 3.29Å; Q6-C89 WeakPolarHBondContact CG-SG 3.43Å; Q6-C89 PolarHBondContact OE1-SG 3.36Å
7	S	98	Very high	95.5	Very high	68 Å²	68	84.6 Å²	84.6	48%	0.476	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	139.9	176.5	-178.5	0	0	0	0	111.6	T22	S7-T22 PolarHBondContact N-O 3.06Å; S7-T22 VanDerWaalsContact N-O 3.08Å; S7-T22 PolarHBondContact O-N 2.85Å; S7-T22 PolarHBondContact O-OG1 2.85Å
8	P	97.7	Very high	95.7	Very high	50 Å²	50	88.2 Å²	88.2	33%	0.325	53%	0.526	S	S	.	.			cis	-76.1	163.3	-6.6	32.8	-35.4	0	0	0	112.3	L10 M11	P8-L10 VanDerWaalsContact C-N 3.34Å; P8-M11 HydrophobicContact CG-CB 4.01Å; P8-M11 HydrophobicContact CG-CE 3.47Å; P8-M11 VanDerWaalsContact CG-CE 3.47Å
9	A	95.9	Very high	95.8	Very high	109 Å²	109	84.1 Å²	84.1	90%	0.901	50%	0.502	S	S	*	.	S	Bend	trans	-70.3	-31.7	176.5	0	0	0	0	0	112.9
10	L	95.9	Very high	95.9	Very high	159 Å²	159	82.5 Å²	82.5	83%	0.832	49%	0.493	S	S	*	.			trans	-144.2	140.6	175.9	-175.8	69	0	0	0	108.3	P8	P8-L10 VanDerWaalsContact C-N 3.34Å
11	M	94.5	Very high	96	Very high	90 Å²	90	79.6 Å²	79.6	44%	0.443	48%	0.475	S	S	.	.			trans	-139.8	142.5	173.3	-176.1	179.3	-65	0	0	108.9	P8 V19	P8-M11 HydrophobicContact CG-CB 4.01Å; P8-M11 HydrophobicContact CG-CE 3.47Å; P8-M11 VanDerWaalsContact CG-CE 3.47Å; M11-V19 HydrophobicContact CE-CG1 4.48Å; M11-V19 HydrophobicContact SD-CB 4.19Å; M11-V19 HydrophobicContact SD-CG1 3.61Å; M11-V19 HydrophobicContact SD-CG2 3.91Å
12	A	95	Very high	96.7	Very high	99 Å²	99	72 Å²	72	82%	0.818	44%	0.443	S	S	*	.			trans	-109.2	139.5	164	0	0	0	0	0	108.1
13	A	95.2	Very high	97	Very high	33 Å²	33	70.5 Å²	70.5	27%	0.273	44%	0.435	S	S	.	.			trans	-142.6	143.3	177.4	0	0	0	0	0	109.4	E17 V19 M79	A13-E17 VanDerWaalsContact CA-OE2 3.26Å; A13-E17 WeakPolarHBondContact CA-OE2 3.36Å; A13-E17 HydrophobicContact CB-CB 4.34Å; A13-V19 HydrophobicContact CB-CG2 3.41Å; A13-V19 VanDerWaalsContact CB-CG2 3.41Å; A13-M79 HydrophobicContact CB-CB 4.41Å; A13-M79 HydrophobicContact CB-CG 4.12Å
14	S	96.3	Very high	97.2	Very high	67 Å²	67	69.7 Å²	69.7	47%	0.469	43%	0.433	S	S	.	.			trans	-81.3	154.9	173.4	-55.7	0	0	0	0	110.5	G16 E17	S14-G16 PolarHBondContact O-N 3.28Å; S14-E17 PolarHBondContact N-OE2 2.8Å; S14-E17 WeakPolarHBondContact O-CB 3.4Å; S14-E17 PolarHBondContact O-N 3.45Å
15	P	96.7	Very high	97.2	Very high	109 Å²	109	67.6 Å²	67.6	71%	0.708	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	132.9	173	-26.4	35.2	0	0	0	112	E17 M79	P15-E17 VanDerWaalsContact C-N 3.35Å; P15-M79 CarbonylContact C-O 3.52Å; P15-M79 VanDerWaalsContact CA-O 3.25Å; P15-M79 WeakPolarHBondContact CA-O 3.36Å
16	G	97.7	Very high	97.1	Very high	47 Å²	47	67.1 Å²	67.1	49%	0.485	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	-13.9	-176.9	0	0	0	0	0	115.2	S14 M79	S14-G16 PolarHBondContact O-N 3.28Å; G16-M79 PolarHBondContact N-O 2.82Å
17	E	98.1	Very high	97	Very high	95 Å²	95	66.2 Å²	66.2	44%	0.444	42%	0.423	S	S	.	.			trans	-72.9	148.3	177.3	-68.9	-175.8	154.5	0	0	111.9	A13 S14 P15 M79	A13-E17 VanDerWaalsContact CA-OE2 3.26Å; A13-E17 WeakPolarHBondContact CA-OE2 3.36Å; A13-E17 HydrophobicContact CB-CB 4.34Å; S14-E17 PolarHBondContact N-OE2 2.8Å; S14-E17 WeakPolarHBondContact O-CB 3.4Å; S14-E17 PolarHBondContact O-N 3.45Å; P15-E17 VanDerWaalsContact C-N 3.35Å; E17-M79 WeakPolarHBondContact O-CB 3.14Å; E17-M79 PolarHBondContact O-N 3.48Å
18	K	98.2	Very high	96.9	Very high	148 Å²	148	67.4 Å²	67.4	64%	0.643	43%	0.431	S	S	*	.			trans	-82.7	126.6	173.1	-179.6	-178.2	177.3	-177.3	0	109.7	T75 I76	K18-T75 HydrophobicContact CD-CG2 4.45Å; K18-T75 VanDerWaalsContact CE-CG2 3.47Å; K18-T75 HydrophobicContact CG-CG2 4.19Å; K18-I76 WeakPolarHBondContact CA-O 3.35Å
19	V	97.5	Very high	96.8	Very high	11 Å²	11	65.5 Å²	65.5	7%	0.067	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.1	175.3	171.5	0	0	0	0	109.9	M11 A13 I21 T75 I76 M79	M11-V19 HydrophobicContact CE-CG1 4.48Å; M11-V19 HydrophobicContact SD-CB 4.19Å; M11-V19 HydrophobicContact SD-CG1 3.61Å; M11-V19 HydrophobicContact SD-CG2 3.91Å; A13-V19 HydrophobicContact CB-CG2 3.41Å; A13-V19 VanDerWaalsContact CB-CG2 3.41Å; V19-I21 HydrophobicContact CG1-CG1 4.33Å; V19-T75 CarbonylContact O-C 3.6Å; V19-T75 VanDerWaalsContact O-CA 3.3Å; V19-T75 WeakPolarHBondContact O-CA 3.38Å; V19-I76 HydrophobicContact CB-CB 4.23Å; V19-I76 HydrophobicContact CB-CG1 4.37Å; V19-I76 PolarHBondContact N-O 2.75Å; V19-I76 PolarHBondContact O-N 3.08Å; V19-M79 HydrophobicContact CG2-CB 4.41Å; V19-M79 HydrophobicContact CG2-SD 4.19Å
20	T	98.2	Very high	96.8	Very high	52 Å²	52	63.4 Å²	63.4	32%	0.319	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.3	172.2	-58.1	0	0	0	0	110	L74 T75	T20-L74 CarbonylContact C-O 3.52Å; T20-L74 WeakPolarHBondContact CA-O 3.25Å; T20-T75 PolarHBondContact OG1-OG1 2.8Å
21	I	98.1	Very high	96.8	Very high	21 Å²	21	57.8 Å²	57.8	11%	0.108	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	134.1	174.3	-57	168	0	0	0	106.9	V19 W36 S73 L74 Y87	V19-I21 HydrophobicContact CG1-CG1 4.33Å; I21-W36 HydrophobicContact CB-CH2 4.4Å; I21-W36 HydrophobicContact CG2-CH2 3.98Å; I21-W36 HydrophobicContact CG2-CZ3 4Å; I21-S73 CarbonylContact O-C 3.58Å; I21-S73 WeakPolarHBondContact O-CA 3.46Å; I21-S73 WeakPolarHBondContact O-CB 3.23Å; I21-L74 PolarHBondContact N-O 2.83Å; I21-L74 PolarHBondContact O-N 2.84Å; I21-Y87 HydrophobicContact CD1-CD2 3.8Å; I21-Y87 HydrophobicContact CD1-CG 4.01Å
22	T	98.5	Very high	96.8	Very high	51 Å²	51	56.7 Å²	56.7	31%	0.313	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	151.3	179	59.3	0	0	0	0	110.9	Q6 S7 Y72	Q6-T22 VanDerWaalsContact CA-O 3.23Å; Q6-T22 WeakPolarHBondContact CA-O 3.26Å; S7-T22 PolarHBondContact N-O 3.06Å; S7-T22 VanDerWaalsContact N-O 3.08Å; S7-T22 PolarHBondContact O-N 2.85Å; S7-T22 PolarHBondContact O-OG1 2.85Å; T22-Y72 CarbonylContact C-O 3.13Å; T22-Y72 WeakPolarHBondContact CA-O 3.02Å
23	C	98.3	Very high	96.9	Very high	0 Å²	0	54 Å²	54	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	116.4	173.8	179.9	0	0	0	0	108.6	T5 Q6 W36 Y72 C89	T5-C23 CarbonylContact O-C 3.54Å; T5-C23 WeakPolarHBondContact O-CA 3.35Å; Q6-C23 HydrophobicContact CG-CB 4.31Å; C23-W36 HydrophobicContact CB-CH2 3.69Å; C23-W36 HydrophobicContact CB-CZ2 3.76Å; C23-Y72 PolarHBondContact N-O 2.82Å; C23-Y72 PolarHBondContact O-N 3.04Å; C23-C89 HydrophobicContact CB-CB 3.57Å; C23-C89 WeakPolarHBondContact CB-SG 3.46Å; C23-C89 WeakPolarHBondContact SG-CB 3.23Å; C23-C89 CovalentContact SG-SG 2.03Å; C23-C89 PolarHBondContact SG-SG 2.9Å
24	S	98.1	Very high	97	Very high	53 Å²	53	52.4 Å²	52.4	37%	0.371	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	132.6	175.9	-56.1	0	0	0	0	109.9	L4 T5 T70	L4-S24 WeakPolarHBondContact CA-O 3.34Å; T5-S24 PolarHBondContact N-O 2.73Å; T5-S24 PolarHBondContact O-N 3.32Å; T5-S24 WeakPolarHBondContact OG1-CB 3.46Å; T5-S24 PolarHBondContact OG1-O 3.4Å; S24-T70 CarbonylContact C-O 3.19Å; S24-T70 WeakPolarHBondContact CA-O 3.35Å
25	V	96.9	Very high	97.1	Very high	8 Å²	8	50.3 Å²	50.3	5%	0.048	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132	-176.6	-168.4	0	0	0	0	108.8	I2 V3 S27 I29 T70 Y72	I2-V25 HydrophobicContact CG2-CG1 3.29Å; V3-V25 WeakPolarHBondContact O-CA 3.47Å; V25-S27 VanDerWaalsContact CG1-O 3.23Å; V25-S27 WeakPolarHBondContact CG1-O 3.3Å; V25-S27 PolarHBondContact O-N 2.88Å; V25-S27 VanDerWaalsContact O-N 3.1Å; V25-I29 HydrophobicContact CG1-CD1 4.41Å; V25-I29 HydrophobicContact CG1-CG2 4.08Å; V25-I29 HydrophobicContact CG2-CD1 4.3Å; V25-T70 PolarHBondContact N-O 3.23Å; V25-T70 WeakPolarHBondContact O-CB 3.39Å; V25-Y72 HydrophobicContact CG2-CD2 3.98Å; V25-Y72 HydrophobicContact CG2-CE2 3.93Å
26	S	96.5	Very high	97.2	Very high	73 Å²	73	45.1 Å²	45.1	51%	0.51	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	-17.8	-175.8	64.8	0	0	0	0	114.8	E1 I2 V3	E1-S26 PolarHBondContact O-OG 3.03Å; I2-S26 WeakPolarHBondContact CA-OG 3.24Å; V3-S26 PolarHBondContact N-OG 2.84Å; V3-S26 PolarHBondContact O-N 3.03Å
27	S	95.1	Very high	97.2	Very high	48 Å²	48	44.7 Å²	44.7	34%	0.336	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	153.7	177.8	57.5	0	0	0	0	110.1	V25 I29	V25-S27 VanDerWaalsContact CG1-O 3.23Å; V25-S27 WeakPolarHBondContact CG1-O 3.3Å; V25-S27 PolarHBondContact O-N 2.88Å; V25-S27 VanDerWaalsContact O-N 3.1Å; S27-I29 PolarHBondContact O-N 3.45Å
28	S	96	Very high	97.2	Very high	92 Å²	92	40.8 Å²	40.8	64%	0.643	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	127.9	-177	-176.7	0	0	0	0	111.1	G69	S28-G69 WeakPolarHBondContact CA-O 3.28Å; S28-G69 VanDerWaalsContact OG-CA 3.26Å; S28-G69 WeakPolarHBondContact OG-CA 3.29Å
29	I	95.9	Very high	97.2	Very high	11 Å²	11	36.3 Å²	36.3	6%	0.056	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	161.3	174.7	67.9	176	0	0	0	110.9	I2 V25 S27 L34 G69 Y72 Q91 S93	I2-I29 HydrophobicContact CD1-CG2 3.95Å; I2-I29 HydrophobicContact CG2-CG2 4.48Å; V25-I29 HydrophobicContact CG1-CD1 4.41Å; V25-I29 HydrophobicContact CG1-CG2 4.08Å; V25-I29 HydrophobicContact CG2-CD1 4.3Å; S27-I29 PolarHBondContact O-N 3.45Å; I29-L34 HydrophobicContact CD1-CB 4.35Å; I29-G69 PolarHBondContact N-O 3.41Å; I29-Y72 HydrophobicContact CD1-CE2 4.3Å; I29-Y72 HydrophobicContact CG1-CE2 4.07Å; I29-Y72 VanDerWaalsContact CG1-OH 3.26Å; I29-Y72 WeakPolarHBondContact CG1-OH 3.38Å; I29-Y72 PolarHBondContact O-OH 3Å; I29-Q91 HydrophobicContact CD1-CB 3.67Å; I29-S93 WeakPolarHBondContact CG2-OG 3.3Å
30	S	96.2	Very high	97	Very high	64 Å²	64	40 Å²	40	45%	0.448	24%	0.242	S	C	.	.			trans	-62.5	136.8	167.6	176.6	0	0	0	0	109.7	S32 N33	S30-S32 WeakPolarHBondContact CB-OG 3.46Å; S30-S32 PolarHBondContact O-N 2.73Å; S30-S32 VanDerWaalsContact O-N 3.11Å; S30-S32 PolarHBondContact OG-N 2.78Å; S30-S32 PolarHBondContact OG-OG 3.45Å; S30-N33 WeakPolarHBondContact O-CB 3.4Å; S30-N33 PolarHBondContact O-N 2.93Å
31	S	94.9	Very high	96.7	Very high	41 Å²	41	43 Å²	43	29%	0.287	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-58.2	-23.7	173.7	-61.6	0	0	0	0	112.8	N33 G51 T52 G67 S68	S31-N33 PolarHBondContact O-N 2.92Å; S31-G51 CarbonylContact O-C 3.49Å; S31-G51 WeakPolarHBondContact O-CA 3.37Å; S31-T52 WeakPolarHBondContact CA-OG1 3.44Å; S31-T52 WeakPolarHBondContact CB-OG1 3.46Å; S31-T52 WeakPolarHBondContact O-CB 3.31Å; S31-T52 PolarHBondContact O-N 2.7Å; S31-T52 PolarHBondContact O-OG1 2.83Å; S31-G67 PolarHBondContact OG-O 3.3Å; S31-S68 WeakPolarHBondContact OG-CA 3.33Å
32	S	96.4	Very high	95.9	Very high	68 Å²	68	51.3 Å²	51.3	48%	0.476	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-63.8	-18.8	173	63.1	0	0	0	0	113.7	S30 G51	S30-S32 WeakPolarHBondContact CB-OG 3.46Å; S30-S32 PolarHBondContact O-N 2.73Å; S30-S32 VanDerWaalsContact O-N 3.11Å; S30-S32 PolarHBondContact OG-N 2.78Å; S30-S32 PolarHBondContact OG-OG 3.45Å; S32-G51 WeakPolarHBondContact O-CA 3.26Å
33	N	96.3	Very high	95.5	Very high	41 Å²	41	51.6 Å²	51.6	22%	0.219	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-101	0.4	-170.1	-63.1	-13.2	0	0	0	113.4	S30 S31 H35 Q91 W92 S93	S30-N33 WeakPolarHBondContact O-CB 3.4Å; S30-N33 PolarHBondContact O-N 2.93Å; S31-N33 PolarHBondContact O-N 2.92Å; N33-H35 PolarHBondContact O-CD2 2.9Å; N33-Q91 CarbonylContact O-C 3.5Å; N33-Q91 VanDerWaalsContact O-CA 3.27Å; N33-Q91 WeakPolarHBondContact O-CA 3.41Å; N33-W92 HydrophobicContact CB-CB 4.3Å; N33-W92 PolarHBondContact O-N 3.41Å; N33-S93 WeakPolarHBondContact ND2-CB 3.35Å
34	L	97.6	Very high	95.3	Very high	0 Å²	0	56 Å²	56	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.3	172.8	-160.3	174.6	0	0	0	111	I29 W36 G51 T52 Y72 C89 Q90	I29-L34 HydrophobicContact CD1-CB 4.35Å; L34-W36 HydrophobicContact CD2-CG 4.34Å; L34-G51 PolarHBondContact O-N 2.68Å; L34-G51 VanDerWaalsContact O-N 3.1Å; L34-T52 PolarHBondContact O-N 3.02Å; L34-Y72 HydrophobicContact CB-CD1 4.23Å; L34-Y72 HydrophobicContact CB-CE1 4.11Å; L34-Y72 HydrophobicContact CD1-CD1 3.28Å; L34-Y72 HydrophobicContact CD1-CD2 3.24Å; L34-Y72 HydrophobicContact CD1-CE1 3.84Å; L34-Y72 HydrophobicContact CD1-CE2 3.81Å; L34-Y72 HydrophobicContact CD1-CG 2.93Å; L34-Y72 HydrophobicContact CG-CD1 4.39Å; L34-Y72 HydrophobicContact CG-CG 4.32Å; L34-C89 HydrophobicContact CD2-CB 4Å; L34-Q90 WeakPolarHBondContact CA-O 2.98Å
35	H	97.9	Very high	95.3	Very high	23 Å²	23	56.5 Å²	56.5	11%	0.106	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.4	175.4	-52.7	-86.8	0	0	0	111.7	N33 Y37 I49 Y50 C89 Q90 W92	N33-H35 PolarHBondContact O-CD2 2.9Å; H35-Y37 HydrophobicContact CB-CE2 3.7Å; H35-I49 CarbonylContact C-O 3.59Å; H35-I49 VanDerWaalsContact CA-O 3.24Å; H35-I49 WeakPolarHBondContact CA-O 3.15Å; H35-Y50 VanDerWaalsContact ND1-CA 3.27Å; H35-Y50 WeakPolarHBondContact ND1-CA 3.34Å; H35-Y50 WeakPolarHBondContact ND1-CB 3.44Å; H35-C89 CarbonylContact O-C 3.46Å; H35-C89 WeakPolarHBondContact O-CA 3.38Å; H35-Q90 PolarHBondContact N-O 2.82Å; H35-Q90 PolarHBondContact O-N 2.66Å; H35-W92 AromaticContact CD2-CD1 3.34Å; H35-W92 AromaticContact CD2-CD2 3.94Å; H35-W92 AromaticContact CD2-CE2 3.97Å; H35-W92 AromaticContact CD2-CG 3.57Å; H35-W92 AromaticContact CD2-NE1 3.58Å; H35-W92 AromaticContact NE2-CD1 3.93Å; H35-W92 AromaticContact NE2-CD2 3.81Å; H35-W92 AromaticContact NE2-CG 3.66Å
36	W	98.4	Very high	95.2	Very high	1 Å²	1	62.3 Å²	62.3	0%	0.004	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	141.8	170.1	-69.1	95.3	0	0	0	110.6	I21 C23 L34 W48 I49 L74 Y88 C89	I21-W36 HydrophobicContact CB-CH2 4.4Å; I21-W36 HydrophobicContact CG2-CH2 3.98Å; I21-W36 HydrophobicContact CG2-CZ3 4Å; C23-W36 HydrophobicContact CB-CH2 3.69Å; C23-W36 HydrophobicContact CB-CZ2 3.76Å; L34-W36 HydrophobicContact CD2-CG 4.34Å; W36-W48 WeakPolarHBondContact O-CA 3.44Å; W36-W48 WeakPolarHBondContact O-CB 3.35Å; W36-W48 PolarHBondContact O-N 2.76Å; W36-I49 HydrophobicContact CB-CB 4.07Å; W36-I49 HydrophobicContact CG-CB 4.48Å; W36-I49 PolarHBondContact N-O 2.85Å; W36-I49 PolarHBondContact O-N 2.79Å; W36-I49 VanDerWaalsContact O-N 3.12Å; W36-L74 HydrophobicContact CD2-CB 3.66Å; W36-L74 HydrophobicContact CD2-CD2 4.19Å; W36-L74 HydrophobicContact CD2-CG 4.37Å; W36-L74 HydrophobicContact CE3-CB 3.88Å; W36-L74 HydrophobicContact CE3-CD2 3.94Å; W36-L74 HydrophobicContact CG-CB 4.21Å; W36-L74 HydrophobicContact CG-CD1 4.32Å; W36-L74 HydrophobicContact CG-CD2 4.48Å; W36-L74 HydrophobicContact CH2-CB 3.97Å; W36-L74 HydrophobicContact CZ2-CB 3.77Å; W36-L74 HydrophobicContact CZ3-CB 4.03Å; W36-L74 HydrophobicContact CZ3-CD2 4.46Å; W36-Y88 CarbonylContact C-O 3.56Å; W36-Y88 VanDerWaalsContact CA-O 3.29Å; W36-Y88 WeakPolarHBondContact CA-O 3.11Å; W36-C89 HydrophobicContact CD2-CB 4.19Å; W36-C89 HydrophobicContact CE3-CB 3.99Å; W36-C89 HydrophobicContact CH2-CB 4.01Å; W36-C89 HydrophobicContact CZ2-CB 4.18Å; W36-C89 HydrophobicContact CZ3-CB 3.9Å
37	Y	98	Very high	95.3	Very high	37 Å²	37	62.7 Å²	62.7	15%	0.145	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145.1	176.5	-64.5	-100.4	0	0	0	110.3	H35 P45 K46 P47 Y87 Y88 Q90	H35-Y37 HydrophobicContact CB-CE2 3.7Å; Y37-P45 HydrophobicContact CD1-CB 4.35Å; Y37-K46 CarbonylContact C-O 3.44Å; Y37-K46 WeakPolarHBondContact CA-O 3.15Å; Y37-P47 HydrophobicContact CD1-CG 4.49Å; Y37-P47 HydrophobicContact CE1-CB 4.33Å; Y37-P47 HydrophobicContact CE1-CG 4.02Å; Y37-Y87 VanDerWaalsContact O-CA 3.28Å; Y37-Y87 WeakPolarHBondContact O-CA 3.42Å; Y37-Y88 PolarHBondContact N-O 2.88Å; Y37-Y88 PolarHBondContact O-N 2.99Å; Y37-Q90 HydrophobicContact CD2-CB 4.33Å; Y37-Q90 HydrophobicContact CE2-CB 3.85Å; Y37-Q90 VanDerWaalsContact CE2-OE1 3.22Å; Y37-Q90 PolarHBondContact OH-OE1 3.18Å; Y37-Q90 VanDerWaalsContact OH-OE1 3.1Å
38	Q	97.9	Very high	95.4	Very high	13 Å²	13	61.9 Å²	61.9	6%	0.061	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.1	170.8	-173.9	-170.1	72.3	0	0	109.2	P45 K46 W48 A85 Y87	Q38-P45 WeakPolarHBondContact O-CA 3.3Å; Q38-K46 PolarHBondContact N-O 3.44Å; Q38-K46 PolarHBondContact O-N 2.8Å; Q38-W48 HydrophobicContact CB-CB 4.38Å; Q38-W48 HydrophobicContact CB-CD2 3.82Å; Q38-W48 HydrophobicContact CB-CE3 3.8Å; Q38-W48 HydrophobicContact CB-CG 4.09Å; Q38-W48 HydrophobicContact CB-CZ3 4.4Å; Q38-A85 HydrophobicContact CG-CB 3.45Å; Q38-A85 VanDerWaalsContact CG-CB 3.45Å; Q38-Y87 HydrophobicContact CB-CD1 4.16Å; Q38-Y87 HydrophobicContact CB-CE1 3.93Å; Q38-Y87 HydrophobicContact CG-CD1 4.25Å; Q38-Y87 HydrophobicContact CG-CE1 3.72Å; Q38-Y87 PolarHBondContact NE2-OH 3.36Å
39	Q	97.6	Very high	95.5	Very high	54 Å²	54	57.5 Å²	57.5	25%	0.252	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.7	172.6	-167.7	-179.9	11.6	0	0	110.3	T43 P45 A85 T86 Y88	Q39-T43 WeakPolarHBondContact CG-O 3.26Å; Q39-T43 PolarHBondContact NE2-O 2.77Å; Q39-P45 HydrophobicContact CB-CB 4.44Å; Q39-P45 HydrophobicContact CB-CG 4.28Å; Q39-P45 HydrophobicContact CG-CG 4.18Å; Q39-A85 WeakPolarHBondContact O-CB 3.48Å; Q39-T86 PolarHBondContact N-O 3.22Å; Q39-T86 PolarHBondContact O-N 3.28Å; Q39-Y88 HydrophobicContact CB-CD2 4.42Å; Q39-Y88 HydrophobicContact CB-CE2 3.83Å; Q39-Y88 VanDerWaalsContact OE1-CE2 3.27Å; Q39-Y88 PolarHBondContact OE1-OH 3.01Å
40	K	95.2	Very high	95.6	Very high	88 Å²	88	62.7 Å²	62.7	38%	0.383	34%	0.342	S	S	.	.			trans	-92.5	158.7	168.6	-64.1	-172.9	174.7	-172	0	109.6	E42 T43 E82 A85	K40-E42 PolarHBondContact O-N 3.18Å; K40-T43 PolarHBondContact N-OG1 2.84Å; K40-T43 PolarHBondContact O-N 3.34Å; K40-T43 PolarHBondContact O-OG1 3.01Å; K40-E82 WeakPolarHBondContact CE-O 3.22Å; K40-E82 PolarHBondContact NZ-O 3.49Å; K40-A85 HydrophobicContact CG-CB 4.17Å
41	S	90.4	Very high	95.6	Very high	115 Å²	115	60.3 Å²	60.3	80%	0.804	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.6	127	-179.5	-57	0	0	0	0	112	T43	S41-T43 PolarHBondContact O-N 2.8Å
42	E	81.1	Confident	95.8	Very high	196 Å²	196	58.8 Å²	58.8	92%	0.916	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	20.1	178.9	-52.3	-53.9	133.1	0	0	116.2	K40	K40-E42 PolarHBondContact O-N 3.18Å
43	T	91.5	Very high	95.9	Very high	57 Å²	57	58.9 Å²	58.9	35%	0.35	32%	0.318	S	S	.	.	S	Bend	trans	-113	155.7	174.4	65.4	0	0	0	0	111.7	Q39 K40 S41	Q39-T43 WeakPolarHBondContact CG-O 3.26Å; Q39-T43 PolarHBondContact NE2-O 2.77Å; K40-T43 PolarHBondContact N-OG1 2.84Å; K40-T43 PolarHBondContact O-N 3.34Å; K40-T43 PolarHBondContact O-OG1 3.01Å; S41-T43 PolarHBondContact O-N 2.8Å
44	S	94.3	Very high	96	Very high	93 Å²	93	60.5 Å²	60.5	65%	0.65	33%	0.326	S	S	*	.			trans	-68.3	143.7	168.9	-53.6	0	0	0	0	110.4	K46	S44-K46 PolarHBondContact O-N 2.92Å
45	P	96.5	Very high	96	Very high	63 Å²	63	63.3 Å²	63.3	41%	0.409	34%	0.341	S	S	.	.			trans	-54.6	132.8	171.6	-24.1	33.1	0	0	0	111.5	Y37 Q38 Q39	Y37-P45 HydrophobicContact CD1-CB 4.35Å; Q38-P45 WeakPolarHBondContact O-CA 3.3Å; Q39-P45 HydrophobicContact CB-CB 4.44Å; Q39-P45 HydrophobicContact CB-CG 4.28Å; Q39-P45 HydrophobicContact CG-CG 4.18Å
46	K	96.6	Very high	96	Very high	131 Å²	131	63 Å²	63	57%	0.57	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	142.3	177.7	-63.2	-177.3	-176.8	177.7	0	110.3	Y37 Q38 S44 W48	Y37-K46 CarbonylContact C-O 3.44Å; Y37-K46 WeakPolarHBondContact CA-O 3.15Å; Q38-K46 PolarHBondContact N-O 3.44Å; Q38-K46 PolarHBondContact O-N 2.8Å; S44-K46 PolarHBondContact O-N 2.92Å; K46-W48 PolarHBondContact O-N 2.84Å
47	P	97.1	Very high	96	Very high	80 Å²	80	69.4 Å²	69.4	52%	0.519	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	133.3	170.7	-22.7	32.6	0	0	0	110.4	Y37 A56	Y37-P47 HydrophobicContact CD1-CG 4.49Å; Y37-P47 HydrophobicContact CE1-CB 4.33Å; Y37-P47 HydrophobicContact CE1-CG 4.02Å; P47-A56 HydrophobicContact CB-CB 4.42Å; P47-A56 WeakPolarHBondContact O-CB 3.48Å
48	W	97.5	Very high	95.9	Very high	31 Å²	31	71.2 Å²	71.2	12%	0.117	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	-53.3	-177.9	-153.2	-113.3	0	0	0	111.1	W36 Q38 K46 A56 V59 F63	W36-W48 WeakPolarHBondContact O-CA 3.44Å; W36-W48 WeakPolarHBondContact O-CB 3.35Å; W36-W48 PolarHBondContact O-N 2.76Å; Q38-W48 HydrophobicContact CB-CB 4.38Å; Q38-W48 HydrophobicContact CB-CD2 3.82Å; Q38-W48 HydrophobicContact CB-CE3 3.8Å; Q38-W48 HydrophobicContact CB-CG 4.09Å; Q38-W48 HydrophobicContact CB-CZ3 4.4Å; K46-W48 PolarHBondContact O-N 2.84Å; W48-A56 WeakPolarHBondContact O-CB 3.47Å; W48-A56 PolarHBondContact O-N 3.26Å; W48-V59 HydrophobicContact CD2-CB 4.42Å; W48-V59 HydrophobicContact CD2-CG1 4.05Å; W48-V59 HydrophobicContact CD2-CG2 3.53Å; W48-V59 HydrophobicContact CE3-CG2 3.5Å; W48-V59 HydrophobicContact CG-CG1 4.35Å; W48-V59 HydrophobicContact CG-CG2 4.09Å; W48-V59 HydrophobicContact CH2-CG2 4.05Å; W48-V59 HydrophobicContact CZ2-CB 4.34Å; W48-V59 HydrophobicContact CZ2-CG1 3.83Å; W48-V59 HydrophobicContact CZ2-CG2 4.08Å; W48-V59 HydrophobicContact CZ3-CG2 3.77Å; W48-V59 WeakPolarHBondContact O-CG2 3.27Å; W48-F63 AromaticContact CD1-CD1 3.77Å; W48-F63 AromaticContact CE2-CZ 3.99Å; W48-F63 HydrophobicContact CZ2-CD2 4.12Å; W48-F63 HydrophobicContact CZ2-CE1 4.38Å; W48-F63 AromaticContact CZ2-CE2 3.72Å; W48-F63 HydrophobicContact CZ2-CE2 3.72Å; W48-F63 AromaticContact CZ2-CZ 3.85Å; W48-F63 HydrophobicContact CZ2-CZ 3.85Å; W48-F63 AromaticContact NE1-CD1 3.08Å; W48-F63 AromaticContact NE1-CD2 3.7Å; W48-F63 AromaticContact NE1-CE1 3.15Å; W48-F63 AromaticContact NE1-CE2 3.8Å; W48-F63 AromaticContact NE1-CG 3.35Å; W48-F63 AromaticContact NE1-CZ 3.53Å
49	I	98.5	Very high	95.9	Very high	1 Å²	1	71.4 Å²	71.4	1%	0.005	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.9	171.5	-55.7	-169.7	0	0	0	108.2	H35 W36 T52 N54 L55 S64 L74	H35-I49 CarbonylContact C-O 3.59Å; H35-I49 VanDerWaalsContact CA-O 3.24Å; H35-I49 WeakPolarHBondContact CA-O 3.15Å; W36-I49 HydrophobicContact CB-CB 4.07Å; W36-I49 HydrophobicContact CG-CB 4.48Å; W36-I49 PolarHBondContact N-O 2.85Å; W36-I49 PolarHBondContact O-N 2.79Å; W36-I49 VanDerWaalsContact O-N 3.12Å; I49-T52 WeakPolarHBondContact CG2-O 3.19Å; I49-N54 CarbonylContact C-O 3.53Å; I49-N54 VanDerWaalsContact CA-O 3.27Å; I49-N54 WeakPolarHBondContact CA-O 3.44Å; I49-N54 WeakPolarHBondContact CG2-O 3.49Å; I49-L55 HydrophobicContact CD1-CD2 3.86Å; I49-L55 HydrophobicContact CG1-CD2 3.86Å; I49-S64 VanDerWaalsContact CD1-C 3.49Å; I49-L74 HydrophobicContact CD1-CD1 3.39Å; I49-L74 HydrophobicContact CG1-CD1 4.14Å
50	Y	97.6	Very high	95.9	Very high	119 Å²	119	70.4 Å²	70.4	47%	0.467	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.8	174.9	66.9	-86.9	0	0	0	111.3	H35 T52 N54	H35-Y50 VanDerWaalsContact ND1-CA 3.27Å; H35-Y50 WeakPolarHBondContact ND1-CA 3.34Å; H35-Y50 WeakPolarHBondContact ND1-CB 3.44Å; Y50-T52 VanDerWaalsContact C-N 3.34Å; Y50-T52 PolarHBondContact O-N 2.97Å; Y50-N54 HydrophobicContact CD1-CB 4.04Å; Y50-N54 VanDerWaalsContact CD1-O 3.31Å; Y50-N54 WeakPolarHBondContact CD1-O 3.5Å; Y50-N54 HydrophobicContact CD2-CB 3.9Å; Y50-N54 HydrophobicContact CE1-CB 3.68Å; Y50-N54 HydrophobicContact CE2-CB 3.53Å; Y50-N54 HydrophobicContact CG-CB 4.14Å; Y50-N54 VanDerWaalsContact CZ-CB 3.41Å; Y50-N54 PolarHBondContact N-O 2.62Å; Y50-N54 VanDerWaalsContact O-CB 3.26Å; Y50-N54 WeakPolarHBondContact O-CB 3.3Å; Y50-N54 PolarHBondContact O-N 2.87Å; Y50-N54 PolarHBondContact O-ND2 3.32Å
51	G	97.4	Very high	96	Very high	14 Å²	14	73 Å²	73	14%	0.144	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	49.5	-178	0	0	0	0	0	112.4	S31 S32 L34 S53	S31-G51 CarbonylContact O-C 3.49Å; S31-G51 WeakPolarHBondContact O-CA 3.37Å; S32-G51 WeakPolarHBondContact O-CA 3.26Å; L34-G51 PolarHBondContact O-N 2.68Å; L34-G51 VanDerWaalsContact O-N 3.1Å; G51-S53 PolarHBondContact O-N 3.23Å
52	T	97.7	Very high	96.4	Very high	9 Å²	9	68.9 Å²	68.9	6%	0.055	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	-42.3	-178.8	-61.7	0	0	0	0	116.6	S31 L34 I49 Y50 G65 Y72	S31-T52 WeakPolarHBondContact CA-OG1 3.44Å; S31-T52 WeakPolarHBondContact CB-OG1 3.46Å; S31-T52 WeakPolarHBondContact O-CB 3.31Å; S31-T52 PolarHBondContact O-N 2.7Å; S31-T52 PolarHBondContact O-OG1 2.83Å; L34-T52 PolarHBondContact O-N 3.02Å; I49-T52 WeakPolarHBondContact CG2-O 3.19Å; Y50-T52 VanDerWaalsContact C-N 3.34Å; Y50-T52 PolarHBondContact O-N 2.97Å; T52-G65 CarbonylContact O-C 3.54Å; T52-G65 WeakPolarHBondContact O-CA 3.39Å; T52-Y72 HydrophobicContact CG2-CD1 3.91Å; T52-Y72 HydrophobicContact CG2-CE1 4.21Å; T52-Y72 VanDerWaalsContact OG1-CE1 3.3Å; T52-Y72 WeakPolarHBondContact OG1-CE1 3.43Å
53	S	97.9	Very high	97.2	Very high	71 Å²	71	59.7 Å²	59.7	50%	0.497	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.8	-7.9	-167.9	61	0	0	0	0	115.4	G51 L55 G65	G51-S53 PolarHBondContact O-N 3.23Å; S53-L55 PolarHBondContact O-N 3.19Å; S53-G65 WeakPolarHBondContact CB-O 3.26Å
54	N	98.2	Very high	97.5	Very high	75 Å²	75	59.6 Å²	59.6	40%	0.401	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120	-179.2	-54.3	-68.8	0	0	0	110.5	I49 Y50	I49-N54 CarbonylContact C-O 3.53Å; I49-N54 VanDerWaalsContact CA-O 3.27Å; I49-N54 WeakPolarHBondContact CA-O 3.44Å; I49-N54 WeakPolarHBondContact CG2-O 3.49Å; Y50-N54 HydrophobicContact CD1-CB 4.04Å; Y50-N54 VanDerWaalsContact CD1-O 3.31Å; Y50-N54 WeakPolarHBondContact CD1-O 3.5Å; Y50-N54 HydrophobicContact CD2-CB 3.9Å; Y50-N54 HydrophobicContact CE1-CB 3.68Å; Y50-N54 HydrophobicContact CE2-CB 3.53Å; Y50-N54 HydrophobicContact CG-CB 4.14Å; Y50-N54 VanDerWaalsContact CZ-CB 3.41Å; Y50-N54 PolarHBondContact N-O 2.62Å; Y50-N54 VanDerWaalsContact O-CB 3.26Å; Y50-N54 WeakPolarHBondContact O-CB 3.3Å; Y50-N54 PolarHBondContact O-N 2.87Å; Y50-N54 PolarHBondContact O-ND2 3.32Å
55	L	98.4	Very high	97.7	Very high	59 Å²	59	55.7 Å²	55.7	31%	0.309	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	135.3	176.8	-63.7	170.5	0	0	0	110.4	I49 S53 V59 F63	I49-L55 HydrophobicContact CD1-CD2 3.86Å; I49-L55 HydrophobicContact CG1-CD2 3.86Å; S53-L55 PolarHBondContact O-N 3.19Å; L55-V59 HydrophobicContact CB-CB 4.28Å; L55-V59 HydrophobicContact CB-CG1 4.49Å; L55-V59 HydrophobicContact CD2-CB 4.33Å; L55-V59 HydrophobicContact CD2-CG1 3.63Å; L55-F63 HydrophobicContact CD2-CB 3.9Å; L55-F63 WeakPolarHBondContact CD2-O 3.26Å
56	A	98.2	Very high	97.8	Very high	17 Å²	17	55.4 Å²	55.4	14%	0.14	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-67.7	160.3	168.4	0	0	0	0	0	110.7	P47 W48 G58 V59	P47-A56 HydrophobicContact CB-CB 4.42Å; P47-A56 WeakPolarHBondContact O-CB 3.48Å; W48-A56 WeakPolarHBondContact O-CB 3.47Å; W48-A56 PolarHBondContact O-N 3.26Å; A56-G58 PolarHBondContact O-N 3.42Å; A56-V59 HydrophobicContact CB-CG2 4Å; A56-V59 WeakPolarHBondContact O-CB 3.37Å; A56-V59 WeakPolarHBondContact O-CG2 3.27Å; A56-V59 PolarHBondContact O-N 2.9Å
57	S	97.5	Very high	97.8	Very high	135 Å²	135	50.9 Å²	50.9	94%	0.944	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	130.9	179.5	-177.2	0	0	0	0	111.5	V59	S57-V59 VanDerWaalsContact C-N 3.33Å
58	G	96.5	Very high	97.8	Very high	75 Å²	75	50.9 Å²	50.9	77%	0.773	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	-0.8	179.7	0	0	0	0	0	114.9	A56	A56-G58 PolarHBondContact O-N 3.42Å
59	V	97.7	Very high	97.8	Very high	16 Å²	16	50.1 Å²	50.1	10%	0.097	33%	0.334	C	S	.	.			trans	-76.2	127.3	175.1	177	0	0	0	0	110.4	W48 L55 A56 S57 F63	W48-V59 HydrophobicContact CD2-CB 4.42Å; W48-V59 HydrophobicContact CD2-CG1 4.05Å; W48-V59 HydrophobicContact CD2-CG2 3.53Å; W48-V59 HydrophobicContact CE3-CG2 3.5Å; W48-V59 HydrophobicContact CG-CG1 4.35Å; W48-V59 HydrophobicContact CG-CG2 4.09Å; W48-V59 HydrophobicContact CH2-CG2 4.05Å; W48-V59 HydrophobicContact CZ2-CB 4.34Å; W48-V59 HydrophobicContact CZ2-CG1 3.83Å; W48-V59 HydrophobicContact CZ2-CG2 4.08Å; W48-V59 HydrophobicContact CZ3-CG2 3.77Å; W48-V59 WeakPolarHBondContact O-CG2 3.27Å; L55-V59 HydrophobicContact CB-CB 4.28Å; L55-V59 HydrophobicContact CB-CG1 4.49Å; L55-V59 HydrophobicContact CD2-CB 4.33Å; L55-V59 HydrophobicContact CD2-CG1 3.63Å; A56-V59 HydrophobicContact CB-CG2 4Å; A56-V59 WeakPolarHBondContact O-CB 3.37Å; A56-V59 WeakPolarHBondContact O-CG2 3.27Å; A56-V59 PolarHBondContact O-N 2.9Å; S57-V59 VanDerWaalsContact C-N 3.33Å; V59-F63 HydrophobicContact CG1-CB 3.84Å; V59-F63 HydrophobicContact CG1-CD2 3.98Å; V59-F63 HydrophobicContact CG1-CG 4.03Å
60	P	98	Very high	97.7	Very high	33 Å²	33	53.5 Å²	53.5	21%	0.214	36%	0.355	C	S	.	.			trans	-60.8	144.6	178.9	-27.3	37.5	0	0	0	113.3	R62 F63	P60-R62 HydrophobicContact CB-CG 3.82Å; P60-R62 PolarHBondContact O-N 2.76Å; P60-F63 HydrophobicContact CB-CD2 4.15Å; P60-F63 HydrophobicContact CB-CE2 4.39Å; P60-F63 HydrophobicContact CG-CD2 4.44Å; P60-F63 HydrophobicContact CG-CE2 4.33Å; P60-F63 WeakPolarHBondContact O-CD2 3.24Å; P60-F63 PolarHBondContact O-N 3.1Å
61	V	97.5	Very high	97.8	Very high	143 Å²	143	51 Å²	51	87%	0.867	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-10.5	-178	-62.5	0	0	0	0	114.5	F63	V61-F63 PolarHBondContact O-N 2.82Å
62	R	98	Very high	97.8	Very high	29 Å²	29	50.5 Å²	50.5	11%	0.109	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-17.2	171.2	57.3	173	-178.6	-86.9	-4.5	112.9	P60 I76 S77 S78 E80 E82 D83	P60-R62 HydrophobicContact CB-CG 3.82Å; P60-R62 PolarHBondContact O-N 2.76Å; R62-I76 HydrophobicContact CG-CG2 4.38Å; R62-I76 WeakPolarHBondContact O-CA 3.43Å; R62-S77 WeakPolarHBondContact CA-OG 3.42Å; R62-S77 WeakPolarHBondContact CB-OG 3.17Å; R62-S77 PolarHBondContact O-N 3.27Å; R62-S77 PolarHBondContact O-OG 2.9Å; R62-S78 WeakPolarHBondContact CD-O 3.42Å; R62-E80 IonicContact CZ-OE1 3.45Å; R62-E80 IonicContact CZ-OE2 3.31Å; R62-E80 VanDerWaalsContact CZ-OE2 3.31Å; R62-E80 IonicContact NE-OE1 3.83Å; R62-E80 IonicContact NH1-OE1 2.8Å; R62-E80 PolarHBondContact NH1-OE1 3.38Å; R62-E80 IonicContact NH1-OE2 2.93Å; R62-E80 PolarHBondContact NH1-OE2 2.94Å; R62-E80 IonicContact NH2-OE2 3.45Å; R62-E80 PolarHBondContact NH2-OE2 2.84Å; R62-E82 IonicContact CZ-OE1 3.72Å; R62-E82 IonicContact NH1-OE1 3.81Å; R62-E82 IonicContact NH2-OE1 2.73Å; R62-E82 PolarHBondContact NH2-OE1 2.72Å; R62-D83 IonicContact CZ-OD1 3.43Å; R62-D83 IonicContact CZ-OD2 3.49Å; R62-D83 IonicContact NE-OD1 3.3Å; R62-D83 PolarHBondContact NE-OD1 3.19Å; R62-D83 IonicContact NE-OD2 2.78Å; R62-D83 PolarHBondContact NE-OD2 2.93Å; R62-D83 IonicContact NH2-OD1 2.7Å; R62-D83 PolarHBondContact NH2-OD1 3.1Å; R62-D83 IonicContact NH2-OD2 3.45Å; R62-D83 PolarHBondContact NH2-OD2 2.03Å
63	F	98.5	Very high	97.9	Very high	3 Å²	3	51 Å²	51	1%	0.013	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	141.6	174.6	-70.9	-92.6	0	0	0	111.3	W48 L55 V59 P60 V61 L74 T75 I76 D83 Y87	W48-F63 AromaticContact CD1-CD1 3.77Å; W48-F63 AromaticContact CE2-CZ 3.99Å; W48-F63 HydrophobicContact CZ2-CD2 4.12Å; W48-F63 HydrophobicContact CZ2-CE1 4.38Å; W48-F63 AromaticContact CZ2-CE2 3.72Å; W48-F63 HydrophobicContact CZ2-CE2 3.72Å; W48-F63 AromaticContact CZ2-CZ 3.85Å; W48-F63 HydrophobicContact CZ2-CZ 3.85Å; W48-F63 AromaticContact NE1-CD1 3.08Å; W48-F63 AromaticContact NE1-CD2 3.7Å; W48-F63 AromaticContact NE1-CE1 3.15Å; W48-F63 AromaticContact NE1-CE2 3.8Å; W48-F63 AromaticContact NE1-CG 3.35Å; W48-F63 AromaticContact NE1-CZ 3.53Å; L55-F63 HydrophobicContact CD2-CB 3.9Å; L55-F63 WeakPolarHBondContact CD2-O 3.26Å; V59-F63 HydrophobicContact CG1-CB 3.84Å; V59-F63 HydrophobicContact CG1-CD2 3.98Å; V59-F63 HydrophobicContact CG1-CG 4.03Å; P60-F63 HydrophobicContact CB-CD2 4.15Å; P60-F63 HydrophobicContact CB-CE2 4.39Å; P60-F63 HydrophobicContact CG-CD2 4.44Å; P60-F63 HydrophobicContact CG-CE2 4.33Å; P60-F63 WeakPolarHBondContact O-CD2 3.24Å; P60-F63 PolarHBondContact O-N 3.1Å; V61-F63 PolarHBondContact O-N 2.82Å; F63-L74 HydrophobicContact CD1-CD1 4.17Å; F63-T75 CarbonylContact C-O 3.51Å; F63-T75 WeakPolarHBondContact CA-O 3.27Å; F63-I76 HydrophobicContact CD1-CD1 4.26Å; F63-I76 HydrophobicContact CD1-CG1 3.78Å; F63-I76 HydrophobicContact CE1-CB 4.42Å; F63-I76 HydrophobicContact CE1-CD1 3.43Å; F63-I76 VanDerWaalsContact CE1-CD1 3.43Å; F63-I76 HydrophobicContact CE1-CG1 3.47Å; F63-I76 VanDerWaalsContact CE1-CG1 3.47Å; F63-I76 HydrophobicContact CE1-CG2 4.3Å; F63-I76 HydrophobicContact CE2-CG2 4.49Å; F63-I76 HydrophobicContact CZ-CD1 3.87Å; F63-I76 HydrophobicContact CZ-CG1 4.16Å; F63-I76 HydrophobicContact CZ-CG2 4.23Å; F63-D83 VanDerWaalsContact CE2-OD1 3.3Å; F63-D83 WeakPolarHBondContact CE2-OD1 3.23Å; F63-D83 HydrophobicContact CZ-CB 4.15Å; F63-D83 VanDerWaalsContact CZ-OD1 3.24Å; F63-D83 WeakPolarHBondContact CZ-OD1 3.47Å; F63-Y87 AromaticContact CE1-CE1 3.82Å; F63-Y87 HydrophobicContact CE1-CE1 3.82Å; F63-Y87 AromaticContact CE1-CZ 3.97Å; F63-Y87 HydrophobicContact CZ-CE1 4.48Å
64	S	98.5	Very high	97.9	Very high	55 Å²	55	47.7 Å²	47.7	39%	0.385	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	149.5	172.2	54.7	0	0	0	0	110.6	I49 T75	I49-S64 VanDerWaalsContact CD1-C 3.49Å; S64-T75 PolarHBondContact N-O 2.91Å; S64-T75 PolarHBondContact O-N 2.83Å
65	G	98.4	Very high	97.9	Very high	11 Å²	11	44.9 Å²	44.9	11%	0.113	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.1	174	0	0	0	0	0	110.6	T52 S53 S73	T52-G65 CarbonylContact O-C 3.54Å; T52-G65 WeakPolarHBondContact O-CA 3.39Å; S53-G65 WeakPolarHBondContact CB-O 3.26Å; G65-S73 VanDerWaalsContact CA-O 3.3Å; G65-S73 WeakPolarHBondContact CA-O 3.48Å
66	S	98.1	Very high	97.9	Very high	57 Å²	57	42.2 Å²	42.2	40%	0.399	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	161	-177.8	55.5	0	0	0	0	111.1	Y72 S73	S66-Y72 CarbonylContact O-C 3.57Å; S66-Y72 VanDerWaalsContact O-CA 3.26Å; S66-Y72 WeakPolarHBondContact O-CA 3.37Å; S66-S73 PolarHBondContact N-O 2.96Å; S66-S73 PolarHBondContact O-N 3.12Å; S66-S73 PolarHBondContact OG-OG 3.36Å
67	G	97.4	Very high	97.9	Very high	35 Å²	35	44.6 Å²	44.6	36%	0.361	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	130.2	176.5	174.6	0	0	0	0	0	114.2	S31 S71	S31-G67 PolarHBondContact OG-O 3.3Å; G67-S71 WeakPolarHBondContact CA-O 3.34Å
68	S	97	Very high	97.9	Very high	80 Å²	80	40.5 Å²	40.5	56%	0.559	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-166.4	154.6	179.5	56.9	0	0	0	0	110.6	S31 T70 S71	S31-S68 WeakPolarHBondContact OG-CA 3.33Å; S68-T70 PolarHBondContact O-N 3.18Å; S68-S71 PolarHBondContact N-O 2.81Å; S68-S71 PolarHBondContact O-N 3.36Å
69	G	96.3	Very high	98	Very high	16 Å²	16	38.3 Å²	38.3	17%	0.165	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	67	-98.6	174.9	0	0	0	0	0	112	S28 I29 Y72	S28-G69 WeakPolarHBondContact CA-O 3.28Å; S28-G69 VanDerWaalsContact OG-CA 3.26Å; S28-G69 WeakPolarHBondContact OG-CA 3.29Å; I29-G69 PolarHBondContact N-O 3.41Å; G69-Y72 PolarHBondContact N-OH 2.98Å; G69-Y72 WeakPolarHBondContact O-CE2 3.37Å; G69-Y72 PolarHBondContact O-OH 2.95Å
70	T	97.6	Very high	97.9	Very high	71 Å²	71	41.3 Å²	41.3	44%	0.436	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	-5.5	-173.7	54.7	0	0	0	0	114.1	S24 V25 S68	S24-T70 CarbonylContact C-O 3.19Å; S24-T70 WeakPolarHBondContact CA-O 3.35Å; V25-T70 PolarHBondContact N-O 3.23Å; V25-T70 WeakPolarHBondContact O-CB 3.39Å; S68-T70 PolarHBondContact O-N 3.18Å
71	S	98.1	Very high	97.8	Very high	67 Å²	67	44 Å²	44	47%	0.469	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	128.3	-174.1	-171.3	0	0	0	0	111.7	G67 S68	G67-S71 WeakPolarHBondContact CA-O 3.34Å; S68-S71 PolarHBondContact N-O 2.81Å; S68-S71 PolarHBondContact O-N 3.36Å
72	Y	98.5	Very high	97.7	Very high	3 Å²	3	42 Å²	42	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	160.2	-176.5	-59.5	-98.7	0	0	0	111.5	T22 C23 V25 I29 L34 T52 S66 G69	T22-Y72 CarbonylContact C-O 3.13Å; T22-Y72 WeakPolarHBondContact CA-O 3.02Å; C23-Y72 PolarHBondContact N-O 2.82Å; C23-Y72 PolarHBondContact O-N 3.04Å; V25-Y72 HydrophobicContact CG2-CD2 3.98Å; V25-Y72 HydrophobicContact CG2-CE2 3.93Å; I29-Y72 HydrophobicContact CD1-CE2 4.3Å; I29-Y72 HydrophobicContact CG1-CE2 4.07Å; I29-Y72 VanDerWaalsContact CG1-OH 3.26Å; I29-Y72 WeakPolarHBondContact CG1-OH 3.38Å; I29-Y72 PolarHBondContact O-OH 3Å; L34-Y72 HydrophobicContact CB-CD1 4.23Å; L34-Y72 HydrophobicContact CB-CE1 4.11Å; L34-Y72 HydrophobicContact CD1-CD1 3.28Å; L34-Y72 HydrophobicContact CD1-CD2 3.24Å; L34-Y72 HydrophobicContact CD1-CE1 3.84Å; L34-Y72 HydrophobicContact CD1-CE2 3.81Å; L34-Y72 HydrophobicContact CD1-CG 2.93Å; L34-Y72 HydrophobicContact CG-CD1 4.39Å; L34-Y72 HydrophobicContact CG-CG 4.32Å; T52-Y72 HydrophobicContact CG2-CD1 3.91Å; T52-Y72 HydrophobicContact CG2-CE1 4.21Å; T52-Y72 VanDerWaalsContact OG1-CE1 3.3Å; T52-Y72 WeakPolarHBondContact OG1-CE1 3.43Å; S66-Y72 CarbonylContact O-C 3.57Å; S66-Y72 VanDerWaalsContact O-CA 3.26Å; S66-Y72 WeakPolarHBondContact O-CA 3.37Å; G69-Y72 PolarHBondContact N-OH 2.98Å; G69-Y72 WeakPolarHBondContact O-CE2 3.37Å; G69-Y72 PolarHBondContact O-OH 2.95Å
73	S	98.5	Very high	97.6	Very high	21 Å²	21	40.8 Å²	40.8	15%	0.147	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	147.6	179.4	55.3	0	0	0	0	112.7	I21 G65 S66	I21-S73 CarbonylContact O-C 3.58Å; I21-S73 WeakPolarHBondContact O-CA 3.46Å; I21-S73 WeakPolarHBondContact O-CB 3.23Å; G65-S73 VanDerWaalsContact CA-O 3.3Å; G65-S73 WeakPolarHBondContact CA-O 3.48Å; S66-S73 PolarHBondContact N-O 2.96Å; S66-S73 PolarHBondContact O-N 3.12Å; S66-S73 PolarHBondContact OG-OG 3.36Å
74	L	98.6	Very high	97.4	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128	163.7	176.8	67.4	0	0	0	108	T20 I21 W36 I49 F63 Y87	T20-L74 CarbonylContact C-O 3.52Å; T20-L74 WeakPolarHBondContact CA-O 3.25Å; I21-L74 PolarHBondContact N-O 2.83Å; I21-L74 PolarHBondContact O-N 2.84Å; W36-L74 HydrophobicContact CD2-CB 3.66Å; W36-L74 HydrophobicContact CD2-CD2 4.19Å; W36-L74 HydrophobicContact CD2-CG 4.37Å; W36-L74 HydrophobicContact CE3-CB 3.88Å; W36-L74 HydrophobicContact CE3-CD2 3.94Å; W36-L74 HydrophobicContact CG-CB 4.21Å; W36-L74 HydrophobicContact CG-CD1 4.32Å; W36-L74 HydrophobicContact CG-CD2 4.48Å; W36-L74 HydrophobicContact CH2-CB 3.97Å; W36-L74 HydrophobicContact CZ2-CB 3.77Å; W36-L74 HydrophobicContact CZ3-CB 4.03Å; W36-L74 HydrophobicContact CZ3-CD2 4.46Å; I49-L74 HydrophobicContact CD1-CD1 3.39Å; I49-L74 HydrophobicContact CG1-CD1 4.14Å; F63-L74 HydrophobicContact CD1-CD1 4.17Å; L74-Y87 HydrophobicContact CD2-CD1 3.37Å; L74-Y87 HydrophobicContact CD2-CE1 3.97Å; L74-Y87 HydrophobicContact CD2-CG 3.82Å
75	T	98.5	Very high	97.4	Very high	16 Å²	16	42.9 Å²	42.9	10%	0.098	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.1	177.8	-62.8	0	0	0	0	110.3	K18 V19 T20 F63 S64	K18-T75 HydrophobicContact CD-CG2 4.45Å; K18-T75 VanDerWaalsContact CE-CG2 3.47Å; K18-T75 HydrophobicContact CG-CG2 4.19Å; V19-T75 CarbonylContact O-C 3.6Å; V19-T75 VanDerWaalsContact O-CA 3.3Å; V19-T75 WeakPolarHBondContact O-CA 3.38Å; T20-T75 PolarHBondContact OG1-OG1 2.8Å; F63-T75 CarbonylContact C-O 3.51Å; F63-T75 WeakPolarHBondContact CA-O 3.27Å; S64-T75 PolarHBondContact N-O 2.91Å; S64-T75 PolarHBondContact O-N 2.83Å
76	I	98.3	Very high	97.3	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	112.4	167	-42.6	-176.1	0	0	0	106	K18 V19 R62 F63 S78 M79 D83 Y87	K18-I76 WeakPolarHBondContact CA-O 3.35Å; V19-I76 HydrophobicContact CB-CB 4.23Å; V19-I76 HydrophobicContact CB-CG1 4.37Å; V19-I76 PolarHBondContact N-O 2.75Å; V19-I76 PolarHBondContact O-N 3.08Å; R62-I76 HydrophobicContact CG-CG2 4.38Å; R62-I76 WeakPolarHBondContact O-CA 3.43Å; F63-I76 HydrophobicContact CD1-CD1 4.26Å; F63-I76 HydrophobicContact CD1-CG1 3.78Å; F63-I76 HydrophobicContact CE1-CB 4.42Å; F63-I76 HydrophobicContact CE1-CD1 3.43Å; F63-I76 VanDerWaalsContact CE1-CD1 3.43Å; F63-I76 HydrophobicContact CE1-CG1 3.47Å; F63-I76 VanDerWaalsContact CE1-CG1 3.47Å; F63-I76 HydrophobicContact CE1-CG2 4.3Å; F63-I76 HydrophobicContact CE2-CG2 4.49Å; F63-I76 HydrophobicContact CZ-CD1 3.87Å; F63-I76 HydrophobicContact CZ-CG1 4.16Å; F63-I76 HydrophobicContact CZ-CG2 4.23Å; I76-S78 VanDerWaalsContact C-N 3.3Å; I76-S78 PolarHBondContact O-N 3.11Å; I76-M79 HydrophobicContact CD1-SD 3.85Å; I76-D83 HydrophobicContact CD1-CB 4.23Å; I76-Y87 HydrophobicContact CD1-CE2 4.42Å
77	S	98.3	Very high	97.3	Very high	67 Å²	67	43.9 Å²	43.9	47%	0.469	29%	0.294	S	S	.	.	S	Bend	trans	-71.3	-27.2	-173.1	62.7	0	0	0	0	113.6	R62	R62-S77 WeakPolarHBondContact CA-OG 3.42Å; R62-S77 WeakPolarHBondContact CB-OG 3.17Å; R62-S77 PolarHBondContact O-N 3.27Å; R62-S77 PolarHBondContact O-OG 2.9Å
78	S	98.2	Very high	97.3	Very high	49 Å²	49	46.8 Å²	46.8	34%	0.343	29%	0.294	S	S	.	.	S	Bend	trans	-151.1	97.9	180	170.1	0	0	0	0	108.2	R62 I76	R62-S78 WeakPolarHBondContact CD-O 3.42Å; I76-S78 VanDerWaalsContact C-N 3.3Å; I76-S78 PolarHBondContact O-N 3.11Å
79	M	97.2	Very high	97.3	Very high	29 Å²	29	43.7 Å²	43.7	14%	0.143	27%	0.272	C	S	.	.			trans	-58.4	137.4	-177.8	-172.5	71.2	-178.8	0	0	111.7	A13 P15 G16 E17 V19 I76 D83	A13-M79 HydrophobicContact CB-CB 4.41Å; A13-M79 HydrophobicContact CB-CG 4.12Å; P15-M79 CarbonylContact C-O 3.52Å; P15-M79 VanDerWaalsContact CA-O 3.25Å; P15-M79 WeakPolarHBondContact CA-O 3.36Å; G16-M79 PolarHBondContact N-O 2.82Å; E17-M79 WeakPolarHBondContact O-CB 3.14Å; E17-M79 PolarHBondContact O-N 3.48Å; V19-M79 HydrophobicContact CG2-CB 4.41Å; V19-M79 HydrophobicContact CG2-SD 4.19Å; I76-M79 HydrophobicContact CD1-SD 3.85Å; M79-D83 HydrophobicContact CE-CB 3.63Å; M79-D83 HydrophobicContact SD-CB 3.61Å
80	E	97.4	Very high	97.3	Very high	80 Å²	80	46.9 Å²	46.9	37%	0.374	28%	0.283	S	S	.	.			trans	-120.5	161	169.7	-69.3	174.4	-152.8	0	0	111	R62 E82 D83	R62-E80 IonicContact CZ-OE1 3.45Å; R62-E80 IonicContact CZ-OE2 3.31Å; R62-E80 VanDerWaalsContact CZ-OE2 3.31Å; R62-E80 IonicContact NE-OE1 3.83Å; R62-E80 IonicContact NH1-OE1 2.8Å; R62-E80 PolarHBondContact NH1-OE1 3.38Å; R62-E80 IonicContact NH1-OE2 2.93Å; R62-E80 PolarHBondContact NH1-OE2 2.94Å; R62-E80 IonicContact NH2-OE2 3.45Å; R62-E80 PolarHBondContact NH2-OE2 2.84Å; E80-E82 HydrophobicContact CB-CG 4.06Å; E80-E82 PolarHBondContact O-N 3.1Å; E80-D83 PolarHBondContact N-OD2 3.48Å; E80-D83 WeakPolarHBondContact O-CB 3.48Å; E80-D83 PolarHBondContact O-N 3.01Å
81	A	94.8	Very high	97.2	Very high	88 Å²	88	44.4 Å²	44.4	73%	0.727	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-58.6	-32.3	-179.3	0	0	0	0	0	112.7	D83 A84	A81-D83 PolarHBondContact O-N 3.38Å; A81-A84 WeakPolarHBondContact O-CB 3.2Å; A81-A84 PolarHBondContact O-N 2.88Å
82	E	94.7	Very high	97	Very high	103 Å²	103	48.4 Å²	48.4	48%	0.481	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-72.4	-12.9	177.7	61.6	176.4	-139.9	0	0	114.5	K40 R62 E80 A84	K40-E82 WeakPolarHBondContact CE-O 3.22Å; K40-E82 PolarHBondContact NZ-O 3.49Å; R62-E82 IonicContact CZ-OE1 3.72Å; R62-E82 IonicContact NH1-OE1 3.81Å; R62-E82 IonicContact NH2-OE1 2.73Å; R62-E82 PolarHBondContact NH2-OE1 2.72Å; E80-E82 HydrophobicContact CB-CG 4.06Å; E80-E82 PolarHBondContact O-N 3.1Å; E82-A84 VanDerWaalsContact C-N 3.3Å
83	D	96.2	Very high	96.7	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.011	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-84.3	-8.1	178.7	-62.3	-32.3	0	0	0	112.6	R62 F63 I76 M79 E80 A81 A85 Y87	R62-D83 IonicContact CZ-OD1 3.43Å; R62-D83 IonicContact CZ-OD2 3.49Å; R62-D83 IonicContact NE-OD1 3.3Å; R62-D83 PolarHBondContact NE-OD1 3.19Å; R62-D83 IonicContact NE-OD2 2.78Å; R62-D83 PolarHBondContact NE-OD2 2.93Å; R62-D83 IonicContact NH2-OD1 2.7Å; R62-D83 PolarHBondContact NH2-OD1 3.1Å; R62-D83 IonicContact NH2-OD2 3.45Å; R62-D83 PolarHBondContact NH2-OD2 2.03Å; F63-D83 VanDerWaalsContact CE2-OD1 3.3Å; F63-D83 WeakPolarHBondContact CE2-OD1 3.23Å; F63-D83 HydrophobicContact CZ-CB 4.15Å; F63-D83 VanDerWaalsContact CZ-OD1 3.24Å; F63-D83 WeakPolarHBondContact CZ-OD1 3.47Å; I76-D83 HydrophobicContact CD1-CB 4.23Å; M79-D83 HydrophobicContact CE-CB 3.63Å; M79-D83 HydrophobicContact SD-CB 3.61Å; E80-D83 PolarHBondContact N-OD2 3.48Å; E80-D83 WeakPolarHBondContact O-CB 3.48Å; E80-D83 PolarHBondContact O-N 3.01Å; A81-D83 PolarHBondContact O-N 3.38Å; D83-A85 PolarHBondContact O-N 2.89Å; D83-Y87 WeakPolarHBondContact O-CE2 3.21Å; D83-Y87 PolarHBondContact O-OH 3.27Å
84	A	95.9	Very high	96.3	Very high	69 Å²	69	51.8 Å²	51.8	57%	0.57	30%	0.296	S	S	*	.			trans	-61.4	107.5	173.9	0	0	0	0	0	110	A81 E82	A81-A84 WeakPolarHBondContact O-CB 3.2Å; A81-A84 PolarHBondContact O-N 2.88Å; E82-A84 VanDerWaalsContact C-N 3.3Å
85	A	96.9	Very high	95.5	Very high	33 Å²	33	62.1 Å²	62.1	27%	0.273	34%	0.336	S	S	.	.	S	Bend	trans	-164.5	167.1	-174.2	0	0	0	0	0	110.1	Q38 Q39 K40 D83 Y87	Q38-A85 HydrophobicContact CG-CB 3.45Å; Q38-A85 VanDerWaalsContact CG-CB 3.45Å; Q39-A85 WeakPolarHBondContact O-CB 3.48Å; K40-A85 HydrophobicContact CG-CB 4.17Å; D83-A85 PolarHBondContact O-N 2.89Å; A85-Y87 HydrophobicContact CB-CE2 3.91Å; A85-Y87 WeakPolarHBondContact O-CD2 3.02Å
86	T	97.2	Very high	94.2	Very high	73 Å²	73	67.1 Å²	67.1	45%	0.448	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	134.9	163.2	-47	0	0	0	0	109.1	Q39 Y88	Q39-T86 PolarHBondContact N-O 3.22Å; Q39-T86 PolarHBondContact O-N 3.28Å; T86-Y88 HydrophobicContact CG2-CD2 4.36Å; T86-Y88 HydrophobicContact CG2-CE1 3.88Å; T86-Y88 HydrophobicContact CG2-CE2 3.56Å; T86-Y88 VanDerWaalsContact CG2-OH 3.23Å; T86-Y88 WeakPolarHBondContact CG2-OH 3.39Å
87	Y	97.6	Very high	92.6	Very high	17 Å²	17	78.7 Å²	78.7	7%	0.067	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.9	178.7	-65	-92.3	0	0	0	110.3	Q6 I21 Y37 Q38 F63 L74 I76 D83 A85	Q6-Y87 PolarHBondContact NE2-O 3.02Å; I21-Y87 HydrophobicContact CD1-CD2 3.8Å; I21-Y87 HydrophobicContact CD1-CG 4.01Å; Y37-Y87 VanDerWaalsContact O-CA 3.28Å; Y37-Y87 WeakPolarHBondContact O-CA 3.42Å; Q38-Y87 HydrophobicContact CB-CD1 4.16Å; Q38-Y87 HydrophobicContact CB-CE1 3.93Å; Q38-Y87 HydrophobicContact CG-CD1 4.25Å; Q38-Y87 HydrophobicContact CG-CE1 3.72Å; Q38-Y87 PolarHBondContact NE2-OH 3.36Å; F63-Y87 AromaticContact CE1-CE1 3.82Å; F63-Y87 HydrophobicContact CE1-CE1 3.82Å; F63-Y87 AromaticContact CE1-CZ 3.97Å; F63-Y87 HydrophobicContact CZ-CE1 4.48Å; L74-Y87 HydrophobicContact CD2-CD1 3.37Å; L74-Y87 HydrophobicContact CD2-CE1 3.97Å; L74-Y87 HydrophobicContact CD2-CG 3.82Å; I76-Y87 HydrophobicContact CD1-CE2 4.42Å; D83-Y87 WeakPolarHBondContact O-CE2 3.21Å; D83-Y87 PolarHBondContact O-OH 3.27Å; A85-Y87 HydrophobicContact CB-CE2 3.91Å; A85-Y87 WeakPolarHBondContact O-CD2 3.02Å
88	Y	97.5	Very high	92.3	Very high	96 Å²	96	79.3 Å²	79.3	38%	0.376	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.3	-178.1	-57.7	-85.8	0	0	0	110.7	Q6 W36 Y37 Q39 T86	Q6-Y88 VanDerWaalsContact OE1-CA 3.29Å; W36-Y88 CarbonylContact C-O 3.56Å; W36-Y88 VanDerWaalsContact CA-O 3.29Å; W36-Y88 WeakPolarHBondContact CA-O 3.11Å; Y37-Y88 PolarHBondContact N-O 2.88Å; Y37-Y88 PolarHBondContact O-N 2.99Å; Q39-Y88 HydrophobicContact CB-CD2 4.42Å; Q39-Y88 HydrophobicContact CB-CE2 3.83Å; Q39-Y88 VanDerWaalsContact OE1-CE2 3.27Å; Q39-Y88 PolarHBondContact OE1-OH 3.01Å; T86-Y88 HydrophobicContact CG2-CD2 4.36Å; T86-Y88 HydrophobicContact CG2-CE1 3.88Å; T86-Y88 HydrophobicContact CG2-CE2 3.56Å; T86-Y88 VanDerWaalsContact CG2-OH 3.23Å; T86-Y88 WeakPolarHBondContact CG2-OH 3.39Å
89	C	97.6	Very high	92	Very high	14 Å²	14	80.8 Å²	80.8	10%	0.095	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	145.3	164.4	63.7	0	0	0	0	110.6	L4 Q6 C23 L34 H35 W36	L4-C89 HydrophobicContact CD2-CB 4.32Å; Q6-C89 WeakPolarHBondContact CG-SG 3.43Å; Q6-C89 PolarHBondContact OE1-SG 3.36Å; C23-C89 HydrophobicContact CB-CB 3.57Å; C23-C89 WeakPolarHBondContact CB-SG 3.46Å; C23-C89 WeakPolarHBondContact SG-CB 3.23Å; C23-C89 CovalentContact SG-SG 2.03Å; C23-C89 PolarHBondContact SG-SG 2.9Å; L34-C89 HydrophobicContact CD2-CB 4Å; H35-C89 CarbonylContact O-C 3.46Å; H35-C89 WeakPolarHBondContact O-CA 3.38Å; W36-C89 HydrophobicContact CD2-CB 4.19Å; W36-C89 HydrophobicContact CE3-CB 3.99Å; W36-C89 HydrophobicContact CH2-CB 4.01Å; W36-C89 HydrophobicContact CZ2-CB 4.18Å; W36-C89 HydrophobicContact CZ3-CB 3.9Å
90	Q	96.4	Very high	91.7	Very high	83 Å²	83	83.7 Å²	83.7	39%	0.388	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	141	175.2	-168.5	-169.3	5.4	0	0	109.6	L34 H35 Y37	L34-Q90 WeakPolarHBondContact CA-O 2.98Å; H35-Q90 PolarHBondContact N-O 2.82Å; H35-Q90 PolarHBondContact O-N 2.66Å; Y37-Q90 HydrophobicContact CD2-CB 4.33Å; Y37-Q90 HydrophobicContact CE2-CB 3.85Å; Y37-Q90 VanDerWaalsContact CE2-OE1 3.22Å; Y37-Q90 PolarHBondContact OH-OE1 3.18Å; Y37-Q90 VanDerWaalsContact OH-OE1 3.1Å
91	Q	95.3	Very high	91.3	Very high	19 Å²	19	83.9 Å²	83.9	9%	0.089	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	143.5	169.1	69.5	80.2	22.7	0	0	110.7	I2 L4 I29 N33 S93 S94	I2-Q91 HydrophobicContact CB-CG 4.19Å; I2-Q91 HydrophobicContact CG2-CG 3.73Å; L4-Q91 HydrophobicContact CD1-CB 4.31Å; L4-Q91 HydrophobicContact CD1-CG 3.63Å; L4-Q91 HydrophobicContact CD2-CB 4.17Å; L4-Q91 HydrophobicContact CD2-CG 4.39Å; L4-Q91 HydrophobicContact CG-CG 4.43Å; I29-Q91 HydrophobicContact CD1-CB 3.67Å; N33-Q91 CarbonylContact O-C 3.5Å; N33-Q91 VanDerWaalsContact O-CA 3.27Å; N33-Q91 WeakPolarHBondContact O-CA 3.41Å; Q91-S93 PolarHBondContact OE1-OG 2.94Å; Q91-S94 PolarHBondContact NE2-O 3.43Å
92	W	93.7	Very high	91.1	Very high	151 Å²	151	83.7 Å²	83.7	57%	0.572	44%	0.435	S	S	*	.			trans	-117	11.3	178.1	-78.5	40.2	0	0	0	112.9	N33 H35	N33-W92 HydrophobicContact CB-CB 4.3Å; N33-W92 PolarHBondContact O-N 3.41Å; H35-W92 AromaticContact CD2-CD1 3.34Å; H35-W92 AromaticContact CD2-CD2 3.94Å; H35-W92 AromaticContact CD2-CE2 3.97Å; H35-W92 AromaticContact CD2-CG 3.57Å; H35-W92 AromaticContact CD2-NE1 3.58Å; H35-W92 AromaticContact NE2-CD1 3.93Å; H35-W92 AromaticContact NE2-CD2 3.81Å; H35-W92 AromaticContact NE2-CG 3.66Å
93	S	92.9	Very high	90.9	Very high	47 Å²	47	82.4 Å²	82.4	33%	0.329	43%	0.432	S	S	.	.	S	Bend	trans	-73.9	-24.8	179.1	62.8	0	0	0	0	114	I2 I29 N33 Q91	I2-S93 WeakPolarHBondContact CD1-OG 3.5Å; I29-S93 WeakPolarHBondContact CG2-OG 3.3Å; N33-S93 WeakPolarHBondContact ND2-CB 3.35Å; Q91-S93 PolarHBondContact OE1-OG 2.94Å
94	S	88.7	Confident	90.5	Very high	49 Å²	49	88.1 Å²	88.1	34%	0.343	46%	0.462	S	S	.	.	S	Bend	trans	-149.3	147.4	173.9	67	0	0	0	0	111	I2 Q91	I2-S94 WeakPolarHBondContact CD1-OG 3.43Å; Q91-S94 PolarHBondContact NE2-O 3.43Å
95	Y	81.9	Confident	90.1	Very high	218 Å²	218	89.6 Å²	89.6	86%	0.855	45%	0.453	S	S	*	.			trans	-71.7	149.4	169.4	-62.5	-74.6	0	0	0	110.9
96	P	70.9	Confident	89.5	Confident	120 Å²	120	94.3 Å²	94.3	78%	0.779	47%	0.469	S	S	*	.			trans	-58.4	137.1	163.4	-15.7	29.2	0	0	0	109.3
97	L	64.5	Low	88.8	Confident	245 Å²	245	96.3 Å²	96.3	100%	1.283	47%	0.47	S	S	*	.			trans	-73.3	0	168.2	-72.8	173.4	0	0	0	110.5

Retrieved 97 of 97 residues in 150 ms (Link to these results)

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