A0A075B5N3_MOUSE Loading...

Immunoglobulin kappa variable 8-28

AlphaFold DB , UniProt , Accession A0A075B5N3, Species MOUSE (Mus musculus, Mouse), Gene Igkv8-28, Length 101 aa.

						>A0A075B5N3_MOUSE|A0A075B5N3|Igkv8-28
DIVMTQSPSSLSVSAGEKVTMSCKSSQSLLNSGNQKNYLAWYQQKPGQPPKLLIYGASTRESGVPDRFTGSGSGTDFTLTISSVQAEDLAVYYCQNDHSYP
					

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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	D	81.2	Confident	94.3	Very high	179 Å²	179	83 Å²	83	96%	0.957	50%	0.496	S	S	*	.				0	147.6	0	-163.1	12.4	0	0	0	109.5
2	I	90	Very high	94.4	Very high	24 Å²	24	86.4 Å²	86.4	12%	0.123	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-94.2	119.1	177.1	-61.8	178.3	0	0	0	107.9	M4 S25 L29 N96 H98	I2-M4 HydrophobicContact CG2-SD 3.86Å; I2-S25 WeakPolarHBondContact CG2-OG 3.23Å; I2-L29 HydrophobicContact CD1-CD2 3.88Å; I2-L29 HydrophobicContact CG2-CD2 4.1Å; I2-N96 HydrophobicContact CG2-CB 4.2Å; I2-H98 HydrophobicContact CD1-CB 3.99Å
3	V	94.6	Very high	94.4	Very high	82 Å²	82	83.6 Å²	83.6	50%	0.497	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-97.8	128.6	-178.2	179.6	0	0	0	0	109.1	S25 S26	V3-S25 WeakPolarHBondContact O-CA 3.43Å; V3-S26 PolarHBondContact N-OG 3.41Å; V3-S26 PolarHBondContact O-N 3.12Å
4	M	95.5	Very high	94.5	Very high	42 Å²	42	82.7 Å²	82.7	21%	0.207	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.2	176.3	-51.9	-53.2	-60.7	0	0	109.9	I2 C23 K24 L29 L39 N96	I2-M4 HydrophobicContact CG2-SD 3.86Å; M4-C23 WeakPolarHBondContact CE-SG 3.27Å; M4-K24 CarbonylContact C-O 3.58Å; M4-K24 WeakPolarHBondContact CA-O 3.45Å; M4-L29 HydrophobicContact CE-CD1 4.02Å; M4-L29 HydrophobicContact SD-CD1 4.39Å; M4-L39 HydrophobicContact CE-CD1 3.47Å; M4-L39 VanDerWaalsContact CE-CD1 3.47Å; M4-N96 HydrophobicContact SD-CB 3.94Å
5	T	98.1	Very high	94.6	Very high	88 Å²	88	82.8 Å²	82.8	54%	0.54	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.7	176.2	-55	0	0	0	0	109.6	C23 K24	T5-C23 CarbonylContact O-C 3.49Å; T5-C23 WeakPolarHBondContact O-CA 3.33Å; T5-K24 PolarHBondContact N-O 3.13Å; T5-K24 PolarHBondContact O-N 3.25Å
6	Q	98.1	Very high	94.8	Very high	65 Å²	65	80.3 Å²	80.3	30%	0.304	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	148.3	179.5	-72.8	178	-127.8	0	0	112.3	S22 C23 Y92 C94	Q6-S22 VanDerWaalsContact CA-O 3.29Å; Q6-S22 WeakPolarHBondContact CA-O 3.46Å; Q6-C23 HydrophobicContact CG-CB 4.28Å; Q6-Y92 PolarHBondContact NE2-O 2.69Å; Q6-C94 WeakPolarHBondContact CG-SG 3.11Å; Q6-C94 PolarHBondContact OE1-SG 2.99Å
7	S	98.3	Very high	95	Very high	60 Å²	60	80.7 Å²	80.7	42%	0.42	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	148.7	171.2	65.3	0	0	0	0	112.5	S22	S7-S22 PolarHBondContact N-O 2.81Å; S7-S22 PolarHBondContact O-N 2.97Å
8	P	97.7	Very high	95.2	Very high	60 Å²	60	84.3 Å²	84.3	39%	0.39	52%	0.517	S	S	.	.			cis	-69.3	165	-14.6	33.2	-38.2	0	0	0	112	S10 L11	P8-S10 VanDerWaalsContact C-N 3.33Å; P8-L11 HydrophobicContact CB-CG 4.46Å; P8-L11 HydrophobicContact CG-CD1 3.53Å; P8-L11 HydrophobicContact CG-CD2 3.62Å; P8-L11 HydrophobicContact CG-CG 3.35Å
9	S	93.8	Very high	95.3	Very high	124 Å²	124	80.5 Å²	80.5	87%	0.867	49%	0.493	S	S	*	.	S	Bend	trans	-71.6	-27.4	177.9	52.3	0	0	0	0	113.4
10	S	95.5	Very high	95.5	Very high	95 Å²	95	79.5 Å²	79.5	66%	0.664	49%	0.487	S	S	*	.			trans	-153.1	147.9	177.5	59.9	0	0	0	0	110.1	P8	P8-S10 VanDerWaalsContact C-N 3.33Å
11	L	94.3	Very high	95.6	Very high	94 Å²	94	76.6 Å²	76.6	49%	0.492	47%	0.468	S	S	.	.			trans	-133.5	140.3	174.4	-77.8	164	0	0	0	109.5	P8 V13 V19 M21	P8-L11 HydrophobicContact CB-CG 4.46Å; P8-L11 HydrophobicContact CG-CD1 3.53Å; P8-L11 HydrophobicContact CG-CD2 3.62Å; P8-L11 HydrophobicContact CG-CG 3.35Å; L11-V13 HydrophobicContact CB-CG1 4.35Å; L11-V19 HydrophobicContact CD1-CG1 3.52Å; L11-V19 HydrophobicContact CD1-CG2 4.45Å; L11-M21 HydrophobicContact CD1-CG 4.45Å
12	S	95.4	Very high	96.5	Very high	124 Å²	124	70 Å²	70	87%	0.867	44%	0.436	S	S	*	.			trans	-108.5	122.7	162.9	-176.4	0	0	0	0	106.9
13	V	94.6	Very high	96.9	Very high	50 Å²	50	68.8 Å²	68.8	30%	0.303	43%	0.43	S	S	.	.			trans	-137.4	153.1	-176.2	-69.6	0	0	0	0	111.1	L11 E17 V19 V84	L11-V13 HydrophobicContact CB-CG1 4.35Å; V13-E17 VanDerWaalsContact CA-OE2 3.31Å; V13-E17 WeakPolarHBondContact CA-OE2 3.35Å; V13-E17 WeakPolarHBondContact CB-OE2 3.38Å; V13-V19 HydrophobicContact CB-CG2 4.02Å; V13-V19 HydrophobicContact CG1-CG2 3.33Å; V13-V19 HydrophobicContact CG2-CG2 3.93Å; V13-V84 HydrophobicContact CG2-CB 4.43Å; V13-V84 HydrophobicContact CG2-CG1 3.98Å; V13-V84 HydrophobicContact CG2-CG2 4.19Å
14	S	96.3	Very high	97	Very high	71 Å²	71	70.4 Å²	70.4	50%	0.497	43%	0.43	S	S	.	.			trans	-88.2	153.5	175.4	-54.3	0	0	0	0	110.9	G16 E17	S14-G16 PolarHBondContact O-N 2.73Å; S14-E17 PolarHBondContact N-OE2 3.25Å; S14-E17 WeakPolarHBondContact O-CB 3.33Å; S14-E17 PolarHBondContact O-N 3.26Å; S14-E17 VanDerWaalsContact O-N 3.12Å
15	A	96	Very high	97.1	Very high	84 Å²	84	68.9 Å²	68.9	69%	0.694	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	137.3	172.6	0	0	0	0	0	110.5	E17 V84	A15-E17 VanDerWaalsContact C-N 3.31Å; A15-E17 PolarHBondContact O-N 3.43Å; A15-V84 WeakPolarHBondContact CA-O 3.46Å
16	G	98	Very high	97.1	Very high	42 Å²	42	68 Å²	68	43%	0.433	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-16.3	-176.8	0	0	0	0	0	115	S14 S83 V84	S14-G16 PolarHBondContact O-N 2.73Å; G16-S83 WeakPolarHBondContact CA-OG 3.23Å; G16-S83 PolarHBondContact O-OG 2.86Å; G16-V84 PolarHBondContact N-O 2.8Å
17	E	98.2	Very high	97	Very high	88 Å²	88	70 Å²	70	41%	0.411	43%	0.43	S	S	.	.			trans	-69.8	153.5	179.2	-70.4	-176.9	162.4	0	0	112.3	V13 S14 A15 V84	V13-E17 VanDerWaalsContact CA-OE2 3.31Å; V13-E17 WeakPolarHBondContact CA-OE2 3.35Å; V13-E17 WeakPolarHBondContact CB-OE2 3.38Å; S14-E17 PolarHBondContact N-OE2 3.25Å; S14-E17 WeakPolarHBondContact O-CB 3.33Å; S14-E17 PolarHBondContact O-N 3.26Å; S14-E17 VanDerWaalsContact O-N 3.12Å; A15-E17 VanDerWaalsContact C-N 3.31Å; A15-E17 PolarHBondContact O-N 3.43Å; E17-V84 WeakPolarHBondContact O-CG2 3.5Å; E17-V84 PolarHBondContact O-N 3.3Å
18	K	98.4	Very high	96.8	Very high	146 Å²	146	70.4 Å²	70.4	64%	0.635	43%	0.433	S	S	*	.			trans	-88.6	131.1	171.4	178.3	-177.5	176.2	-175.9	0	109.7	T80 I81	K18-T80 HydrophobicContact CD-CG2 4.41Å; K18-T80 VanDerWaalsContact CE-CG2 3.45Å; K18-T80 HydrophobicContact CG-CG2 4.19Å; K18-I81 WeakPolarHBondContact CA-O 3.19Å
19	V	97.7	Very high	96.7	Very high	12 Å²	12	67.6 Å²	67.6	7%	0.073	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.3	172.5	166.7	0	0	0	0	110.2	L11 V13 M21 T80 I81 V84	L11-V19 HydrophobicContact CD1-CG1 3.52Å; L11-V19 HydrophobicContact CD1-CG2 4.45Å; V13-V19 HydrophobicContact CB-CG2 4.02Å; V13-V19 HydrophobicContact CG1-CG2 3.33Å; V13-V19 HydrophobicContact CG2-CG2 3.93Å; V19-M21 HydrophobicContact CG1-CE 4.45Å; V19-M21 HydrophobicContact CG1-CG 4.19Å; V19-T80 CarbonylContact O-C 3.44Å; V19-T80 VanDerWaalsContact O-CA 3.23Å; V19-T80 WeakPolarHBondContact O-CA 3.46Å; V19-I81 PolarHBondContact N-O 3.25Å; V19-I81 PolarHBondContact O-N 2.76Å; V19-V84 HydrophobicContact CB-CG2 4.24Å; V19-V84 HydrophobicContact CG2-CG2 3.86Å
20	T	98.4	Very high	96.8	Very high	59 Å²	59	64.6 Å²	64.6	36%	0.362	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	123	167.2	-61.7	0	0	0	0	109.4	T78 L79 T80	T20-T78 HydrophobicContact CG2-CG2 4.08Å; T20-L79 CarbonylContact C-O 3.54Å; T20-L79 WeakPolarHBondContact CA-O 3.22Å; T20-T80 PolarHBondContact OG1-OG1 2.88Å
21	M	98.4	Very high	96.7	Very high	19 Å²	19	62.3 Å²	62.3	9%	0.094	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.4	170.6	-65.8	166.7	-78.2	0	0	108.8	L11 V19 W41 T78 L79 I81 Y92	L11-M21 HydrophobicContact CD1-CG 4.45Å; V19-M21 HydrophobicContact CG1-CE 4.45Å; V19-M21 HydrophobicContact CG1-CG 4.19Å; M21-W41 HydrophobicContact CB-CH2 4.29Å; M21-W41 HydrophobicContact CB-CZ3 4.5Å; M21-T78 CarbonylContact O-C 3.15Å; M21-T78 WeakPolarHBondContact O-CA 3.33Å; M21-T78 WeakPolarHBondContact O-CB 3.12Å; M21-L79 HydrophobicContact CE-CB 4.22Å; M21-L79 HydrophobicContact CE-CD2 3.49Å; M21-L79 VanDerWaalsContact CE-CD2 3.49Å; M21-L79 HydrophobicContact CE-CG 3.85Å; M21-L79 PolarHBondContact N-O 2.99Å; M21-L79 PolarHBondContact O-N 2.93Å; M21-I81 HydrophobicContact CE-CD1 4.3Å; M21-Y92 HydrophobicContact CE-CD1 4.02Å; M21-Y92 HydrophobicContact CE-CD2 3.96Å; M21-Y92 HydrophobicContact CE-CE1 4.44Å; M21-Y92 HydrophobicContact CE-CE2 4.41Å; M21-Y92 HydrophobicContact CE-CG 3.73Å; M21-Y92 HydrophobicContact SD-CD2 3.92Å; M21-Y92 HydrophobicContact SD-CG 3.85Å
22	S	98.6	Very high	96.6	Very high	40 Å²	40	62.9 Å²	62.9	28%	0.28	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	148.4	176.9	-59.4	0	0	0	0	110.7	Q6 S7 F77	Q6-S22 VanDerWaalsContact CA-O 3.29Å; Q6-S22 WeakPolarHBondContact CA-O 3.46Å; S7-S22 PolarHBondContact N-O 2.81Å; S7-S22 PolarHBondContact O-N 2.97Å; S22-F77 CarbonylContact C-O 3.53Å; S22-F77 WeakPolarHBondContact CA-O 3.33Å
23	C	98.5	Very high	96.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	125	173.2	174.6	0	0	0	0	109.2	M4 T5 Q6 W41 F77 C94	M4-C23 WeakPolarHBondContact CE-SG 3.27Å; T5-C23 CarbonylContact O-C 3.49Å; T5-C23 WeakPolarHBondContact O-CA 3.33Å; Q6-C23 HydrophobicContact CG-CB 4.28Å; C23-W41 HydrophobicContact CB-CH2 3.5Å; C23-W41 VanDerWaalsContact CB-CH2 3.5Å; C23-W41 HydrophobicContact CB-CZ2 3.48Å; C23-W41 VanDerWaalsContact CB-CZ2 3.48Å; C23-F77 HydrophobicContact CB-CB 4.27Å; C23-F77 PolarHBondContact N-O 2.85Å; C23-F77 PolarHBondContact O-N 3.09Å; C23-C94 HydrophobicContact CB-CB 3.56Å; C23-C94 WeakPolarHBondContact CB-SG 3.41Å; C23-C94 WeakPolarHBondContact SG-CB 3.25Å; C23-C94 CovalentContact SG-SG 2.01Å; C23-C94 PolarHBondContact SG-SG 2.85Å
24	K	98.4	Very high	96.5	Very high	116 Å²	116	61.2 Å²	61.2	50%	0.504	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.5	175.8	-67.9	-174.4	-179.3	-104.3	0	110.3	M4 T5 T75 D76	M4-K24 CarbonylContact C-O 3.58Å; M4-K24 WeakPolarHBondContact CA-O 3.45Å; T5-K24 PolarHBondContact N-O 3.13Å; T5-K24 PolarHBondContact O-N 3.25Å; K24-T75 CarbonylContact C-O 3.47Å; K24-T75 VanDerWaalsContact CA-O 3.26Å; K24-T75 WeakPolarHBondContact CA-O 3.42Å; K24-D76 WeakPolarHBondContact CE-OD1 3.16Å; K24-D76 IonicContact NZ-OD1 2.69Å; K24-D76 PolarHBondContact NZ-OD1 3.2Å
25	S	97.4	Very high	96.4	Very high	9 Å²	9	64 Å²	64	6%	0.063	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	143	171.3	179.8	0	0	0	0	110.2	I2 V3 Q27 T75	I2-S25 WeakPolarHBondContact CG2-OG 3.23Å; V3-S25 WeakPolarHBondContact O-CA 3.43Å; S25-Q27 VanDerWaalsContact CB-O 3.23Å; S25-Q27 WeakPolarHBondContact CB-O 3.33Å; S25-Q27 PolarHBondContact O-N 2.83Å; S25-Q27 PolarHBondContact OG-N 3Å; S25-Q27 PolarHBondContact OG-O 3.49Å; S25-T75 PolarHBondContact N-O 2.91Å
26	S	97.2	Very high	96.3	Very high	71 Å²	71	66.2 Å²	66.2	50%	0.497	38%	0.376	S	S	.	.	S	Bend	trans	-68.7	-15.9	174.3	64	0	0	0	0	113.8	V3	V3-S26 PolarHBondContact N-OG 3.41Å; V3-S26 PolarHBondContact O-N 3.12Å
27	Q	95.1	Very high	96.2	Very high	106 Å²	106	65 Å²	65	50%	0.495	36%	0.36	S	S	.	.	S	Bend	trans	-139.9	156.1	177.9	-58.3	-176.7	31.5	0	0	110.3	S25 L29	S25-Q27 VanDerWaalsContact CB-O 3.23Å; S25-Q27 WeakPolarHBondContact CB-O 3.33Å; S25-Q27 PolarHBondContact O-N 2.83Å; S25-Q27 PolarHBondContact OG-N 3Å; S25-Q27 PolarHBondContact OG-O 3.49Å; Q27-L29 PolarHBondContact O-N 2.88Å
28	S	95.6	Very high	96	Very high	68 Å²	68	64 Å²	64	48%	0.476	35%	0.353	S	S	.	.			trans	-61.7	127.1	177.7	177.7	0	0	0	0	111.3	L30 G74	S28-L30 PolarHBondContact OG-N 2.93Å; S28-G74 CarbonylContact C-O 3.51Å; S28-G74 WeakPolarHBondContact CA-O 3.4Å; S28-G74 WeakPolarHBondContact OG-CA 3.37Å
29	L	95.6	Very high	95.9	Very high	2 Å²	2	57 Å²	57	1%	0.01	32%	0.323	C	S	.	.			trans	-90.9	-2.3	171.5	-57.4	-177.8	0	0	0	112.6	I2 M4 Q27 N37 Y38 L39 G74 F77 N96	I2-L29 HydrophobicContact CD1-CD2 3.88Å; I2-L29 HydrophobicContact CG2-CD2 4.1Å; M4-L29 HydrophobicContact CE-CD1 4.02Å; M4-L29 HydrophobicContact SD-CD1 4.39Å; Q27-L29 PolarHBondContact O-N 2.88Å; L29-N37 WeakPolarHBondContact O-CA 3.28Å; L29-Y38 PolarHBondContact O-N 3.29Å; L29-L39 HydrophobicContact CD1-CB 4.01Å; L29-L39 HydrophobicContact CD1-CD1 3.62Å; L29-L39 HydrophobicContact CD1-CG 4.46Å; L29-G74 PolarHBondContact N-O 2.78Å; L29-F77 HydrophobicContact CB-CE2 4.3Å; L29-F77 HydrophobicContact CB-CZ 4.03Å; L29-F77 HydrophobicContact CD1-CE2 3.82Å; L29-F77 HydrophobicContact CD1-CZ 4.23Å; L29-F77 HydrophobicContact CG-CE2 4.25Å; L29-F77 HydrophobicContact CG-CZ 4.48Å; L29-N96 HydrophobicContact CD1-CB 3.89Å; L29-N96 HydrophobicContact CD2-CB 3.64Å; L29-N96 HydrophobicContact CG-CB 4.44Å
30	L	95.9	Very high	95.9	Very high	60 Å²	60	56.5 Å²	56.5	31%	0.314	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-77.3	118.8	173.7	-179.3	64.5	0	0	0	110	S28 K36	S28-L30 PolarHBondContact OG-N 2.93Å; L30-K36 WeakPolarHBondContact CA-O 3.48Å
31	N	93.4	Very high	95.9	Very high	48 Å²	48	53.7 Å²	53.7	26%	0.257	30%	0.302	S	S	.	.			trans	-86.7	127.1	174.6	-178.4	-77.4	0	0	0	111.4	G33 N34 Q35 K36 Y38	N31-G33 VanDerWaalsContact C-N 3.32Å; N31-G33 PolarHBondContact O-N 3.27Å; N31-G33 WeakPolarHBondContact OD1-CA 3.21Å; N31-G33 PolarHBondContact OD1-N 2.84Å; N31-N34 WeakPolarHBondContact CB-OD1 3.31Å; N31-N34 PolarHBondContact OD1-N 3.44Å; N31-N34 VanDerWaalsContact OD1-N 3.12Å; N31-N34 PolarHBondContact OD1-OD1 3.38Å; N31-Q35 WeakPolarHBondContact O-CA 3.48Å; N31-Q35 PolarHBondContact O-N 3.24Å; N31-K36 PolarHBondContact N-O 2.81Å; N31-Y38 HydrophobicContact CB-CD2 4.18Å; N31-Y38 HydrophobicContact CB-CE2 3.45Å; N31-Y38 VanDerWaalsContact CB-CE2 3.45Å
32	S	91.2	Very high	95.9	Very high	105 Å²	105	55.3 Å²	55.3	73%	0.734	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-27.5	-178.5	53.7	0	0	0	0	113.7	Q35	S32-Q35 PolarHBondContact O-NE2 3.03Å
33	G	94	Very high	95.9	Very high	71 Å²	71	54.3 Å²	54.3	73%	0.732	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-33.9	-176.7	0	0	0	0	0	114.1	N31	N31-G33 VanDerWaalsContact C-N 3.32Å; N31-G33 PolarHBondContact O-N 3.27Å; N31-G33 WeakPolarHBondContact OD1-CA 3.21Å; N31-G33 PolarHBondContact OD1-N 2.84Å
34	N	93.8	Very high	95.9	Very high	68 Å²	68	57.1 Å²	57.1	36%	0.364	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124	0.4	-179.1	68.4	12.5	0	0	0	114.6	N31 K36 Y38	N31-N34 WeakPolarHBondContact CB-OD1 3.31Å; N31-N34 PolarHBondContact OD1-N 3.44Å; N31-N34 VanDerWaalsContact OD1-N 3.12Å; N31-N34 PolarHBondContact OD1-OD1 3.38Å; N34-K36 HydrophobicContact CB-CG 4.4Å; N34-K36 PolarHBondContact O-N 2.89Å; N34-K36 VanDerWaalsContact OD1-CB 3.31Å; N34-K36 WeakPolarHBondContact OD1-CB 3.34Å; N34-K36 PolarHBondContact OD1-N 3.16Å; N34-Y38 PolarHBondContact ND2-OH 2.88Å
35	Q	93.7	Very high	95.8	Very high	131 Å²	131	54.2 Å²	54.2	61%	0.612	30%	0.3	S	S	*	.			trans	56.8	31.5	-179.4	-57.7	-64.7	-54.4	0	0	113.4	N31 S32	N31-Q35 WeakPolarHBondContact O-CA 3.48Å; N31-Q35 PolarHBondContact O-N 3.24Å; S32-Q35 PolarHBondContact O-NE2 3.03Å
36	K	94.3	Very high	95.8	Very high	129 Å²	129	59.3 Å²	59.3	56%	0.561	33%	0.332	S	S	*	.			trans	-106.6	145.3	177.2	-61	-174.8	178.4	-176.8	0	111.6	L30 N31 N34	L30-K36 WeakPolarHBondContact CA-O 3.48Å; N31-K36 PolarHBondContact N-O 2.81Å; N34-K36 HydrophobicContact CB-CG 4.4Å; N34-K36 PolarHBondContact O-N 2.89Å; N34-K36 VanDerWaalsContact OD1-CB 3.31Å; N34-K36 WeakPolarHBondContact OD1-CB 3.34Å; N34-K36 PolarHBondContact OD1-N 3.16Å
37	N	95.7	Very high	95.7	Very high	18 Å²	18	60.5 Å²	60.5	10%	0.096	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-89.8	129.2	169.6	-72.7	-73.3	0	0	0	109.9	L29 L39 G56 A57 S73 G74 F77	L29-N37 WeakPolarHBondContact O-CA 3.28Å; N37-L39 PolarHBondContact O-N 2.81Å; N37-G56 CarbonylContact O-C 3.59Å; N37-G56 VanDerWaalsContact O-CA 3.25Å; N37-G56 WeakPolarHBondContact O-CA 3.44Å; N37-A57 HydrophobicContact CB-CB 3.73Å; N37-S73 PolarHBondContact ND2-OG 2.87Å; N37-S73 WeakPolarHBondContact OD1-CA 3.32Å; N37-S73 PolarHBondContact OD1-OG 3.42Å; N37-G74 PolarHBondContact OD1-N 2.83Å; N37-F77 HydrophobicContact CB-CE1 3.92Å; N37-F77 HydrophobicContact CB-CZ 4.27Å
38	Y	95.2	Very high	95.9	Very high	65 Å²	65	59.3 Å²	59.3	26%	0.255	35%	0.35	S	S	.	.			trans	-93.6	68.6	175.8	-63.8	-63.3	0	0	0	111	L29 N31 N34 N96 D97 H98	L29-Y38 PolarHBondContact O-N 3.29Å; N31-Y38 HydrophobicContact CB-CD2 4.18Å; N31-Y38 HydrophobicContact CB-CE2 3.45Å; N31-Y38 VanDerWaalsContact CB-CE2 3.45Å; N34-Y38 PolarHBondContact ND2-OH 2.88Å; Y38-N96 CarbonylContact O-C 3.57Å; Y38-N96 WeakPolarHBondContact O-CA 3.21Å; Y38-D97 PolarHBondContact O-N 2.86Å; Y38-H98 AromaticContact CD2-ND1 3.81Å
39	L	96.5	Very high	95.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.5	175	-174.2	109.2	0	0	0	110.1	M4 L29 N37 Y55 G56 A57 F77 C94 Q95	M4-L39 HydrophobicContact CE-CD1 3.47Å; M4-L39 VanDerWaalsContact CE-CD1 3.47Å; L29-L39 HydrophobicContact CD1-CB 4.01Å; L29-L39 HydrophobicContact CD1-CD1 3.62Å; L29-L39 HydrophobicContact CD1-CG 4.46Å; N37-L39 PolarHBondContact O-N 2.81Å; L39-Y55 CarbonylContact O-C 3.56Å; L39-G56 PolarHBondContact O-N 2.77Å; L39-G56 VanDerWaalsContact O-N 3.09Å; L39-A57 HydrophobicContact CB-CB 4.35Å; L39-A57 HydrophobicContact CD2-CB 4.41Å; L39-A57 PolarHBondContact O-N 2.91Å; L39-F77 HydrophobicContact CB-CD1 4.42Å; L39-F77 HydrophobicContact CB-CE1 4.3Å; L39-F77 HydrophobicContact CB-CZ 4.38Å; L39-F77 HydrophobicContact CD1-CB 4.48Å; L39-F77 HydrophobicContact CD1-CD2 3.71Å; L39-F77 HydrophobicContact CD1-CE2 4.07Å; L39-F77 HydrophobicContact CD1-CG 4.03Å; L39-F77 HydrophobicContact CD2-CB 3.7Å; L39-F77 HydrophobicContact CD2-CD1 3.83Å; L39-F77 HydrophobicContact CD2-CD2 4.21Å; L39-F77 HydrophobicContact CD2-CG 3.63Å; L39-F77 HydrophobicContact CG-CD2 4.41Å; L39-F77 HydrophobicContact CG-CG 4.29Å; L39-C94 HydrophobicContact CD1-CB 4.19Å; L39-Q95 WeakPolarHBondContact CA-O 3.34Å
40	A	97.6	Very high	96	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.008	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	147.4	169.2	0	0	0	0	0	111.9	Y42 L52 I54 C94 Q95 D97	A40-Y42 HydrophobicContact CB-CD2 4.32Å; A40-Y42 HydrophobicContact CB-CE2 3.52Å; A40-L52 HydrophobicContact CB-CD1 3.73Å; A40-I54 CarbonylContact C-O 3.58Å; A40-I54 WeakPolarHBondContact CA-O 3.31Å; A40-C94 CarbonylContact O-C 3.48Å; A40-C94 VanDerWaalsContact O-CA 3.31Å; A40-C94 WeakPolarHBondContact O-CA 3.5Å; A40-Q95 PolarHBondContact N-O 2.88Å; A40-Q95 PolarHBondContact O-N 3.43Å; A40-D97 VanDerWaalsContact CB-OD2 3.3Å; A40-D97 WeakPolarHBondContact CB-OD2 3.31Å; A40-D97 PolarHBondContact N-OD2 2.91Å
41	W	98.3	Very high	96.1	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	136	168.3	-73	98.3	0	0	0	109.9	M21 C23 L53 I54 L79 Y93 C94	M21-W41 HydrophobicContact CB-CH2 4.29Å; M21-W41 HydrophobicContact CB-CZ3 4.5Å; C23-W41 HydrophobicContact CB-CH2 3.5Å; C23-W41 VanDerWaalsContact CB-CH2 3.5Å; C23-W41 HydrophobicContact CB-CZ2 3.48Å; C23-W41 VanDerWaalsContact CB-CZ2 3.48Å; W41-L53 WeakPolarHBondContact O-CB 3.48Å; W41-L53 PolarHBondContact O-N 2.83Å; W41-I54 HydrophobicContact CB-CB 4.19Å; W41-I54 PolarHBondContact N-O 3.48Å; W41-I54 PolarHBondContact O-N 2.84Å; W41-L79 HydrophobicContact CB-CD2 4.26Å; W41-L79 HydrophobicContact CD2-CB 3.6Å; W41-L79 HydrophobicContact CD2-CD2 3.98Å; W41-L79 HydrophobicContact CD2-CG 4.31Å; W41-L79 HydrophobicContact CE3-CB 3.87Å; W41-L79 HydrophobicContact CE3-CD2 3.79Å; W41-L79 HydrophobicContact CE3-CG 4.46Å; W41-L79 HydrophobicContact CG-CB 4.11Å; W41-L79 HydrophobicContact CG-CD1 4.4Å; W41-L79 HydrophobicContact CG-CD2 4.21Å; W41-L79 HydrophobicContact CG-CG 4.49Å; W41-L79 HydrophobicContact CH2-CB 4Å; W41-L79 HydrophobicContact CZ2-CB 3.76Å; W41-L79 HydrophobicContact CZ3-CB 4.06Å; W41-L79 HydrophobicContact CZ3-CD2 4.39Å; W41-Y93 CarbonylContact C-O 3.55Å; W41-Y93 VanDerWaalsContact CA-O 3.31Å; W41-Y93 WeakPolarHBondContact CA-O 3.5Å; W41-C94 HydrophobicContact CD2-CB 3.95Å; W41-C94 HydrophobicContact CE3-CB 3.78Å; W41-C94 HydrophobicContact CH2-CB 3.86Å; W41-C94 HydrophobicContact CZ2-CB 3.99Å; W41-C94 HydrophobicContact CZ3-CB 3.74Å
42	Y	98.2	Very high	96.3	Very high	53 Å²	53	66.5 Å²	66.5	21%	0.208	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	146.6	178.4	-63.4	-95.4	0	0	0	111	A40 P50 K51 L52 Y92 Y93 Q95	A40-Y42 HydrophobicContact CB-CD2 4.32Å; A40-Y42 HydrophobicContact CB-CE2 3.52Å; Y42-P50 HydrophobicContact CD1-CB 4.39Å; Y42-K51 CarbonylContact C-O 3.53Å; Y42-K51 WeakPolarHBondContact CA-O 3.36Å; Y42-L52 HydrophobicContact CD1-CB 4.31Å; Y42-L52 HydrophobicContact CD1-CD1 4.47Å; Y42-L52 HydrophobicContact CE1-CB 4.04Å; Y42-L52 HydrophobicContact CE1-CD1 3.98Å; Y42-L52 HydrophobicContact CE2-CD1 4.49Å; Y42-Y92 WeakPolarHBondContact O-CA 3.09Å; Y42-Y93 PolarHBondContact N-O 3.41Å; Y42-Y93 PolarHBondContact O-N 2.98Å; Y42-Q95 HydrophobicContact CD2-CB 4.4Å; Y42-Q95 HydrophobicContact CE2-CB 3.99Å
43	Q	98.4	Very high	96.6	Very high	20 Å²	20	61.9 Å²	61.9	9%	0.093	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.4	169.2	-174.2	-175.1	57.5	0	0	109.7	K45 K51 L53 A90 Y92	Q43-K45 VanDerWaalsContact OE1-CE 3.26Å; Q43-K51 PolarHBondContact N-O 3.34Å; Q43-K51 PolarHBondContact O-N 2.95Å; Q43-L53 HydrophobicContact CB-CD1 3.64Å; Q43-L53 HydrophobicContact CB-CD2 3.99Å; Q43-L53 HydrophobicContact CB-CG 3.72Å; Q43-A90 HydrophobicContact CG-CB 3.31Å; Q43-Y92 HydrophobicContact CB-CD1 4.26Å; Q43-Y92 HydrophobicContact CB-CE1 4.02Å; Q43-Y92 HydrophobicContact CG-CD1 4.36Å; Q43-Y92 HydrophobicContact CG-CE1 3.83Å; Q43-Y92 PolarHBondContact NE2-OH 3.14Å
44	Q	98.3	Very high	96.8	Very high	58 Å²	58	58.5 Å²	58.5	27%	0.271	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	109.5	172.8	-169.4	177.5	16.3	0	0	110.6	Q48 P50 A90 V91 Y93	Q44-Q48 VanDerWaalsContact CG-O 3.23Å; Q44-Q48 WeakPolarHBondContact CG-O 3.26Å; Q44-Q48 PolarHBondContact NE2-O 2.76Å; Q44-Q48 VanDerWaalsContact NE2-O 3.13Å; Q44-P50 HydrophobicContact CB-CB 4.48Å; Q44-P50 HydrophobicContact CB-CG 4.34Å; Q44-P50 HydrophobicContact CG-CG 4.22Å; Q44-A90 WeakPolarHBondContact O-CA 3.26Å; Q44-A90 WeakPolarHBondContact O-CB 3.41Å; Q44-V91 PolarHBondContact N-O 3.24Å; Q44-V91 PolarHBondContact O-N 2.99Å; Q44-Y93 HydrophobicContact CB-CD2 4.49Å; Q44-Y93 HydrophobicContact CB-CE2 3.77Å; Q44-Y93 PolarHBondContact OE1-OH 3.12Å
45	K	97.2	Very high	97	Very high	56 Å²	56	60.3 Å²	60.3	24%	0.243	32%	0.321	C	S	.	.			trans	-79.9	155.1	172.8	-60.8	-170	-171.6	-164.1	0	110.4	Q43 G47 Q48 E87 A90	Q43-K45 VanDerWaalsContact OE1-CE 3.26Å; K45-G47 PolarHBondContact O-N 3.18Å; K45-Q48 HydrophobicContact CB-CB 4.28Å; K45-Q48 HydrophobicContact CB-CG 4.34Å; K45-Q48 PolarHBondContact O-N 3.48Å; K45-E87 WeakPolarHBondContact CE-O 3.33Å; K45-E87 PolarHBondContact NZ-O 3.03Å; K45-A90 HydrophobicContact CG-CB 4.18Å
46	P	96.4	Very high	97.1	Very high	116 Å²	116	55.3 Å²	55.3	75%	0.753	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	127.7	176	-27.5	35.4	0	0	0	112.2	Q48	P46-Q48 PolarHBondContact O-N 2.86Å
47	G	96.5	Very high	97.2	Very high	95 Å²	95	49.1 Å²	49.1	98%	0.979	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	5.5	179.9	0	0	0	0	0	115.9	K45	K45-G47 PolarHBondContact O-N 3.18Å
48	Q	97.3	Very high	97.4	Very high	81 Å²	81	51.5 Å²	51.5	38%	0.379	30%	0.296	S	S	.	.	S	Bend	trans	-111.8	154.3	177.8	-63.8	-171.7	26.2	0	0	111.5	Q44 K45 P46	Q44-Q48 VanDerWaalsContact CG-O 3.23Å; Q44-Q48 WeakPolarHBondContact CG-O 3.26Å; Q44-Q48 PolarHBondContact NE2-O 2.76Å; Q44-Q48 VanDerWaalsContact NE2-O 3.13Å; K45-Q48 HydrophobicContact CB-CB 4.28Å; K45-Q48 HydrophobicContact CB-CG 4.34Å; K45-Q48 PolarHBondContact O-N 3.48Å; P46-Q48 PolarHBondContact O-N 2.86Å
49	P	97	Very high	97.5	Very high	91 Å²	91	51.4 Å²	51.4	59%	0.591	30%	0.302	S	S	*	.			trans	-68.5	156.6	169.2	29.8	-35.2	0	0	0	111.1
50	P	97.5	Very high	97.6	Very high	69 Å²	69	56.6 Å²	56.6	45%	0.448	32%	0.322	S	S	.	.			trans	-57.1	137.1	170.8	-23	33.7	0	0	0	111.8	Y42 Q44	Y42-P50 HydrophobicContact CD1-CB 4.39Å; Q44-P50 HydrophobicContact CB-CB 4.48Å; Q44-P50 HydrophobicContact CB-CG 4.34Å; Q44-P50 HydrophobicContact CG-CG 4.22Å
51	K	97.6	Very high	97.6	Very high	117 Å²	117	60 Å²	60	51%	0.509	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.4	175.4	-70.2	-178.7	176.3	172.9	0	110.2	Y42 Q43 L53	Y42-K51 CarbonylContact C-O 3.53Å; Y42-K51 WeakPolarHBondContact CA-O 3.36Å; Q43-K51 PolarHBondContact N-O 3.34Å; Q43-K51 PolarHBondContact O-N 2.95Å; K51-L53 PolarHBondContact O-N 2.81Å
52	L	97.7	Very high	97.6	Very high	53 Å²	53	65.4 Å²	65.4	28%	0.277	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	129	175.5	-178.3	63.4	0	0	0	109.9	A40 Y42 Y55 E61	A40-L52 HydrophobicContact CB-CD1 3.73Å; Y42-L52 HydrophobicContact CD1-CB 4.31Å; Y42-L52 HydrophobicContact CD1-CD1 4.47Å; Y42-L52 HydrophobicContact CE1-CB 4.04Å; Y42-L52 HydrophobicContact CE1-CD1 3.98Å; Y42-L52 HydrophobicContact CE2-CD1 4.49Å; L52-Y55 HydrophobicContact CD2-CD1 4.21Å; L52-E61 HydrophobicContact CB-CG 4.39Å; L52-E61 HydrophobicContact CD2-CB 4.33Å; L52-E61 HydrophobicContact CD2-CG 4.09Å; L52-E61 HydrophobicContact CG-CB 4.15Å; L52-E61 HydrophobicContact CG-CG 4.24Å
53	L	98.2	Very high	97.6	Very high	8 Å²	8	66.6 Å²	66.6	4%	0.042	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-50.1	172.9	-72.9	-173.9	0	0	0	111.9	W41 Q43 K51 R60 E61 V64 F68 L79 Y92	W41-L53 WeakPolarHBondContact O-CB 3.48Å; W41-L53 PolarHBondContact O-N 2.83Å; Q43-L53 HydrophobicContact CB-CD1 3.64Å; Q43-L53 HydrophobicContact CB-CD2 3.99Å; Q43-L53 HydrophobicContact CB-CG 3.72Å; K51-L53 PolarHBondContact O-N 2.81Å; L53-R60 WeakPolarHBondContact O-CA 3.31Å; L53-E61 PolarHBondContact O-N 2.92Å; L53-V64 HydrophobicContact CD2-CG1 4.03Å; L53-V64 HydrophobicContact CD2-CG2 3.95Å; L53-F68 HydrophobicContact CD1-CD1 3.91Å; L53-F68 HydrophobicContact CD1-CE1 3.98Å; L53-L79 HydrophobicContact CD1-CD2 4.32Å; L53-Y92 HydrophobicContact CD1-CD1 3.91Å; L53-Y92 HydrophobicContact CD1-CE1 3.61Å
54	I	98.6	Very high	97.6	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	133.6	-173.7	-56.4	-170.5	0	0	0	107.7	A40 W41 T59 R60 T69 L79	A40-I54 CarbonylContact C-O 3.58Å; A40-I54 WeakPolarHBondContact CA-O 3.31Å; W41-I54 HydrophobicContact CB-CB 4.19Å; W41-I54 PolarHBondContact N-O 3.48Å; W41-I54 PolarHBondContact O-N 2.84Å; I54-T59 CarbonylContact C-O 3.58Å; I54-T59 WeakPolarHBondContact CA-O 3.34Å; I54-T59 WeakPolarHBondContact CG2-O 3.31Å; I54-R60 HydrophobicContact CG1-CG 4.39Å; I54-T69 VanDerWaalsContact CD1-C 3.45Å; I54-L79 HydrophobicContact CD1-CD1 3.52Å; I54-L79 HydrophobicContact CG1-CD1 4.32Å
55	Y	96.9	Very high	97.6	Very high	105 Å²	105	66.2 Å²	66.2	41%	0.412	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	166.1	170.4	65.1	-89.7	0	0	0	110	L39 L52 A57 S58 T59 E61	L39-Y55 CarbonylContact O-C 3.56Å; L52-Y55 HydrophobicContact CD2-CD1 4.21Å; Y55-A57 PolarHBondContact O-N 3.39Å; Y55-S58 PolarHBondContact O-N 3.28Å; Y55-T59 HydrophobicContact CE1-CG2 3.77Å; Y55-T59 HydrophobicContact CE2-CG2 3.75Å; Y55-T59 PolarHBondContact N-O 2.82Å; Y55-T59 WeakPolarHBondContact O-CA 3.49Å; Y55-T59 WeakPolarHBondContact O-CB 3.23Å; Y55-T59 PolarHBondContact O-N 2.79Å; Y55-T59 VanDerWaalsContact OH-CG2 3.3Å; Y55-T59 WeakPolarHBondContact OH-CG2 3.37Å; Y55-E61 WeakPolarHBondContact CD1-OE2 3.15Å; Y55-E61 VanDerWaalsContact CE1-OE2 3.31Å; Y55-E61 WeakPolarHBondContact CE1-OE2 3.2Å
56	G	96.3	Very high	97.6	Very high	26 Å²	26	69.8 Å²	69.8	27%	0.268	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	26.8	-179.7	0	0	0	0	0	112.9	N37 L39 S58	N37-G56 CarbonylContact O-C 3.59Å; N37-G56 VanDerWaalsContact O-CA 3.25Å; N37-G56 WeakPolarHBondContact O-CA 3.44Å; L39-G56 PolarHBondContact O-N 2.77Å; L39-G56 VanDerWaalsContact O-N 3.09Å; G56-S58 PolarHBondContact O-N 3.4Å
57	A	97.1	Very high	97.7	Very high	0 Å²	0	66 Å²	66	0%	0	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	-24.8	-170.4	0	0	0	0	0	117.6	N37 L39 Y55 G70 S71 F77	N37-A57 HydrophobicContact CB-CB 3.73Å; L39-A57 HydrophobicContact CB-CB 4.35Å; L39-A57 HydrophobicContact CD2-CB 4.41Å; L39-A57 PolarHBondContact O-N 2.91Å; Y55-A57 PolarHBondContact O-N 3.39Å; A57-G70 CarbonylContact O-C 3.59Å; A57-G70 WeakPolarHBondContact O-CA 3.27Å; A57-S71 PolarHBondContact O-N 2.86Å; A57-F77 HydrophobicContact CB-CD1 3.57Å; A57-F77 HydrophobicContact CB-CE1 3.55Å
58	S	98	Very high	97.8	Very high	68 Å²	68	61.6 Å²	61.6	48%	0.476	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.7	-5.7	-171.6	62.1	0	0	0	0	115.9	Y55 G56 G70	Y55-S58 PolarHBondContact O-N 3.28Å; G56-S58 PolarHBondContact O-N 3.4Å; S58-G70 WeakPolarHBondContact CA-O 2.99Å; S58-G70 WeakPolarHBondContact CB-O 3.46Å
59	T	98.2	Very high	97.9	Very high	62 Å²	62	60.2 Å²	60.2	38%	0.38	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	117.7	-178.2	-52.6	0	0	0	0	110.5	I54 Y55	I54-T59 CarbonylContact C-O 3.58Å; I54-T59 WeakPolarHBondContact CA-O 3.34Å; I54-T59 WeakPolarHBondContact CG2-O 3.31Å; Y55-T59 HydrophobicContact CE1-CG2 3.77Å; Y55-T59 HydrophobicContact CE2-CG2 3.75Å; Y55-T59 PolarHBondContact N-O 2.82Å; Y55-T59 WeakPolarHBondContact O-CA 3.49Å; Y55-T59 WeakPolarHBondContact O-CB 3.23Å; Y55-T59 PolarHBondContact O-N 2.79Å; Y55-T59 VanDerWaalsContact OH-CG2 3.3Å; Y55-T59 WeakPolarHBondContact OH-CG2 3.37Å
60	R	98.3	Very high	98	Very high	110 Å²	110	56.4 Å²	56.4	42%	0.415	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	139.3	175.5	-76.5	178.1	-67.8	-74.2	-6.1	111.2	L53 I54 V64 F68	L53-R60 WeakPolarHBondContact O-CA 3.31Å; I54-R60 HydrophobicContact CG1-CG 4.39Å; R60-V64 HydrophobicContact CB-CB 4.35Å; R60-V64 HydrophobicContact CG-CG1 4.24Å; R60-F68 VanDerWaalsContact CD-O 3.26Å; R60-F68 WeakPolarHBondContact CD-O 3.3Å; R60-F68 PolarHBondContact NH1-O 2.01Å
61	E	98.3	Very high	98	Very high	73 Å²	73	56 Å²	56	34%	0.341	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-69.3	156.8	168.9	-171.2	50.5	-144.5	0	0	111.2	L52 L53 Y55 G63 V64	L52-E61 HydrophobicContact CB-CG 4.39Å; L52-E61 HydrophobicContact CD2-CB 4.33Å; L52-E61 HydrophobicContact CD2-CG 4.09Å; L52-E61 HydrophobicContact CG-CB 4.15Å; L52-E61 HydrophobicContact CG-CG 4.24Å; L53-E61 PolarHBondContact O-N 2.92Å; Y55-E61 WeakPolarHBondContact CD1-OE2 3.15Å; Y55-E61 VanDerWaalsContact CE1-OE2 3.31Å; Y55-E61 WeakPolarHBondContact CE1-OE2 3.2Å; E61-G63 PolarHBondContact O-N 2.81Å; E61-V64 HydrophobicContact CB-CG2 3.92Å; E61-V64 WeakPolarHBondContact O-CB 3.35Å; E61-V64 WeakPolarHBondContact O-CG2 3.39Å; E61-V64 PolarHBondContact O-N 2.79Å; E61-V64 VanDerWaalsContact O-N 3.16Å
62	S	98.1	Very high	98.1	Very high	113 Å²	113	52.1 Å²	52.1	79%	0.79	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	134.8	-179.1	-170.1	0	0	0	0	111.7	V64	S62-V64 VanDerWaalsContact C-N 3.26Å; S62-V64 PolarHBondContact O-N 2.97Å
63	G	97.9	Very high	98.1	Very high	77 Å²	77	52.5 Å²	52.5	79%	0.794	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-2.6	-178.7	0	0	0	0	0	115.3	E61	E61-G63 PolarHBondContact O-N 2.81Å
64	V	98.4	Very high	98	Very high	24 Å²	24	52.7 Å²	52.7	15%	0.145	33%	0.33	C	S	.	.			trans	-74.9	126.8	173.8	175.7	0	0	0	0	109.9	L53 R60 E61 S62 F68	L53-V64 HydrophobicContact CD2-CG1 4.03Å; L53-V64 HydrophobicContact CD2-CG2 3.95Å; R60-V64 HydrophobicContact CB-CB 4.35Å; R60-V64 HydrophobicContact CG-CG1 4.24Å; E61-V64 HydrophobicContact CB-CG2 3.92Å; E61-V64 WeakPolarHBondContact O-CB 3.35Å; E61-V64 WeakPolarHBondContact O-CG2 3.39Å; E61-V64 PolarHBondContact O-N 2.79Å; E61-V64 VanDerWaalsContact O-N 3.16Å; S62-V64 VanDerWaalsContact C-N 3.26Å; S62-V64 PolarHBondContact O-N 2.97Å; V64-F68 HydrophobicContact CG1-CB 3.83Å; V64-F68 HydrophobicContact CG1-CD2 3.97Å; V64-F68 HydrophobicContact CG1-CG 4.09Å
65	P	98.5	Very high	97.9	Very high	46 Å²	46	55.2 Å²	55.2	30%	0.299	35%	0.346	S	S	.	.			trans	-57.5	145.9	179.2	-28.4	37.2	0	0	0	113.5	R67 F68	P65-R67 HydrophobicContact CB-CG 3.8Å; P65-R67 VanDerWaalsContact CB-NH1 3.32Å; P65-R67 PolarHBondContact O-N 2.77Å; P65-F68 HydrophobicContact CB-CD2 4.11Å; P65-F68 HydrophobicContact CB-CE2 4.4Å; P65-F68 HydrophobicContact CG-CD2 4.39Å; P65-F68 HydrophobicContact CG-CE2 4.34Å; P65-F68 PolarHBondContact O-N 2.88Å
66	D	98.1	Very high	98	Very high	131 Å²	131	53.6 Å²	53.6	70%	0.701	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.1	-179.9	64.8	-12.7	0	0	0	114	F68	D66-F68 PolarHBondContact O-N 2.84Å; D66-F68 VanDerWaalsContact O-N 3.14Å
67	R	98.3	Very high	98.1	Very high	37 Å²	37	52.5 Å²	52.5	14%	0.14	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.1	171.1	62.5	171.9	-177.1	-86.6	5.5	113.3	P65 I81 S82 S83 E87 D88	P65-R67 HydrophobicContact CB-CG 3.8Å; P65-R67 VanDerWaalsContact CB-NH1 3.32Å; P65-R67 PolarHBondContact O-N 2.77Å; R67-I81 HydrophobicContact CG-CG2 4.44Å; R67-I81 CarbonylContact O-C 3.54Å; R67-I81 VanDerWaalsContact O-CA 3.28Å; R67-I81 WeakPolarHBondContact O-CA 3.47Å; R67-S82 VanDerWaalsContact CA-OG 3.31Å; R67-S82 WeakPolarHBondContact CA-OG 3.38Å; R67-S82 WeakPolarHBondContact CB-OG 3.49Å; R67-S82 PolarHBondContact O-N 3.33Å; R67-S83 VanDerWaalsContact CD-O 3.25Å; R67-S83 WeakPolarHBondContact CD-O 3.3Å; R67-E87 IonicContact CZ-OE1 3.57Å; R67-E87 IonicContact NH1-OE1 3.72Å; R67-E87 IonicContact NH2-OE1 2.76Å; R67-E87 PolarHBondContact NH2-OE1 2.89Å; R67-D88 IonicContact CZ-OD1 3.46Å; R67-D88 IonicContact CZ-OD2 3.7Å; R67-D88 IonicContact NE-OD1 3.27Å; R67-D88 PolarHBondContact NE-OD1 2.89Å; R67-D88 IonicContact NE-OD2 2.93Å; R67-D88 PolarHBondContact NE-OD2 3.36Å; R67-D88 IonicContact NH2-OD1 2.78Å; R67-D88 PolarHBondContact NH2-OD1 2.94Å; R67-D88 IonicContact NH2-OD2 3.67Å
68	F	98.8	Very high	98.2	Very high	3 Å²	3	54 Å²	54	1%	0.013	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	124.9	172.6	-66.9	-86.6	0	0	0	110.9	L53 R60 V64 P65 D66 L79 T80 I81 D88 Y92	L53-F68 HydrophobicContact CD1-CD1 3.91Å; L53-F68 HydrophobicContact CD1-CE1 3.98Å; R60-F68 VanDerWaalsContact CD-O 3.26Å; R60-F68 WeakPolarHBondContact CD-O 3.3Å; R60-F68 PolarHBondContact NH1-O 2.01Å; V64-F68 HydrophobicContact CG1-CB 3.83Å; V64-F68 HydrophobicContact CG1-CD2 3.97Å; V64-F68 HydrophobicContact CG1-CG 4.09Å; P65-F68 HydrophobicContact CB-CD2 4.11Å; P65-F68 HydrophobicContact CB-CE2 4.4Å; P65-F68 HydrophobicContact CG-CD2 4.39Å; P65-F68 HydrophobicContact CG-CE2 4.34Å; P65-F68 PolarHBondContact O-N 2.88Å; D66-F68 PolarHBondContact O-N 2.84Å; D66-F68 VanDerWaalsContact O-N 3.14Å; F68-L79 HydrophobicContact CD1-CD1 4.35Å; F68-T80 CarbonylContact C-O 3.57Å; F68-T80 WeakPolarHBondContact CA-O 2.98Å; F68-I81 HydrophobicContact CD1-CD1 4.26Å; F68-I81 HydrophobicContact CD1-CG1 3.81Å; F68-I81 HydrophobicContact CE1-CD1 3.56Å; F68-I81 HydrophobicContact CE1-CG1 3.61Å; F68-I81 HydrophobicContact CE1-CG2 4.39Å; F68-I81 HydrophobicContact CZ-CD1 4.25Å; F68-I81 HydrophobicContact CZ-CG1 4.47Å; F68-D88 HydrophobicContact CZ-CB 4.35Å; F68-D88 VanDerWaalsContact CZ-OD1 3.27Å; F68-D88 WeakPolarHBondContact CZ-OD1 3.32Å; F68-Y92 AromaticContact CE1-CE1 3.8Å; F68-Y92 HydrophobicContact CE1-CE1 3.8Å
69	T	98.8	Very high	98.3	Very high	52 Å²	52	50.8 Å²	50.8	32%	0.319	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	132.6	178.6	50.6	0	0	0	0	110.4	I54 L79 T80	I54-T69 VanDerWaalsContact CD1-C 3.45Å; T69-L79 CarbonylContact O-C 3.58Å; T69-L79 WeakPolarHBondContact O-CA 3.37Å; T69-T80 PolarHBondContact N-O 3.37Å; T69-T80 PolarHBondContact O-N 2.93Å; T69-T80 WeakPolarHBondContact OG1-CB 3.33Å; T69-T80 PolarHBondContact OG1-O 2.64Å
70	G	98.6	Very high	98.3	Very high	11 Å²	11	48.6 Å²	48.6	11%	0.113	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	143	176.1	0	0	0	0	0	109	A57 S58 T78	A57-G70 CarbonylContact O-C 3.59Å; A57-G70 WeakPolarHBondContact O-CA 3.27Å; S58-G70 WeakPolarHBondContact CA-O 2.99Å; S58-G70 WeakPolarHBondContact CB-O 3.46Å; G70-T78 WeakPolarHBondContact CA-O 3.25Å
71	S	98.5	Very high	98.3	Very high	59 Å²	59	43.6 Å²	43.6	41%	0.413	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	168.8	174.8	71.3	0	0	0	0	111.3	A57 F77 T78	A57-S71 PolarHBondContact O-N 2.86Å; S71-F77 CarbonylContact O-C 3.54Å; S71-F77 VanDerWaalsContact O-CA 3.26Å; S71-F77 WeakPolarHBondContact O-CA 3.43Å; S71-T78 PolarHBondContact N-O 3.36Å; S71-T78 PolarHBondContact O-N 2.95Å; S71-T78 PolarHBondContact OG-OG1 2.7Å
72	G	97.9	Very high	98.3	Very high	37 Å²	37	43.2 Å²	43.2	38%	0.381	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	109.4	169.2	178.7	0	0	0	0	0	113.5	D76	G72-D76 CarbonylContact C-O 3.55Å; G72-D76 WeakPolarHBondContact CA-O 3.29Å
73	S	97.8	Very high	98.3	Very high	61 Å²	61	39.9 Å²	39.9	43%	0.427	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	154.9	-175.7	-165.5	0	0	0	0	110.3	N37 T75 D76	N37-S73 PolarHBondContact ND2-OG 2.87Å; N37-S73 WeakPolarHBondContact OD1-CA 3.32Å; N37-S73 PolarHBondContact OD1-OG 3.42Å; S73-T75 PolarHBondContact O-N 2.91Å; S73-D76 PolarHBondContact N-O 2.92Å; S73-D76 VanDerWaalsContact N-O 3.08Å; S73-D76 PolarHBondContact O-N 3.27Å
74	G	96.5	Very high	98.4	Very high	11 Å²	11	36.7 Å²	36.7	11%	0.113	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	-98.7	179.2	0	0	0	0	0	110.8	S28 L29 N37 F77	S28-G74 CarbonylContact C-O 3.51Å; S28-G74 WeakPolarHBondContact CA-O 3.4Å; S28-G74 WeakPolarHBondContact OG-CA 3.37Å; L29-G74 PolarHBondContact N-O 2.78Å; N37-G74 PolarHBondContact OD1-N 2.83Å; G74-F77 VanDerWaalsContact O-CE2 3.32Å; G74-F77 WeakPolarHBondContact O-CE2 3.33Å; G74-F77 WeakPolarHBondContact O-CZ 3.33Å
75	T	97.9	Very high	98.3	Very high	54 Å²	54	39.3 Å²	39.3	33%	0.331	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-17	-173.7	48.6	0	0	0	0	114.2	K24 S25 S73	K24-T75 CarbonylContact C-O 3.47Å; K24-T75 VanDerWaalsContact CA-O 3.26Å; K24-T75 WeakPolarHBondContact CA-O 3.42Å; S25-T75 PolarHBondContact N-O 2.91Å; S73-T75 PolarHBondContact O-N 2.91Å
76	D	98.7	Very high	98.2	Very high	70 Å²	70	40.9 Å²	40.9	37%	0.374	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.6	-168.6	-66.5	-97.1	0	0	0	110.4	K24 G72 S73	K24-D76 WeakPolarHBondContact CE-OD1 3.16Å; K24-D76 IonicContact NZ-OD1 2.69Å; K24-D76 PolarHBondContact NZ-OD1 3.2Å; G72-D76 CarbonylContact C-O 3.55Å; G72-D76 WeakPolarHBondContact CA-O 3.29Å; S73-D76 PolarHBondContact N-O 2.92Å; S73-D76 VanDerWaalsContact N-O 3.08Å; S73-D76 PolarHBondContact O-N 3.27Å
77	F	98.7	Very high	98.1	Very high	3 Å²	3	39 Å²	39	1%	0.013	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	154.1	-174.4	-57.1	-82.6	0	0	0	111.4	S22 C23 L29 N37 L39 A57 S71 G74	S22-F77 CarbonylContact C-O 3.53Å; S22-F77 WeakPolarHBondContact CA-O 3.33Å; C23-F77 HydrophobicContact CB-CB 4.27Å; C23-F77 PolarHBondContact N-O 2.85Å; C23-F77 PolarHBondContact O-N 3.09Å; L29-F77 HydrophobicContact CB-CE2 4.3Å; L29-F77 HydrophobicContact CB-CZ 4.03Å; L29-F77 HydrophobicContact CD1-CE2 3.82Å; L29-F77 HydrophobicContact CD1-CZ 4.23Å; L29-F77 HydrophobicContact CG-CE2 4.25Å; L29-F77 HydrophobicContact CG-CZ 4.48Å; N37-F77 HydrophobicContact CB-CE1 3.92Å; N37-F77 HydrophobicContact CB-CZ 4.27Å; L39-F77 HydrophobicContact CB-CD1 4.42Å; L39-F77 HydrophobicContact CB-CE1 4.3Å; L39-F77 HydrophobicContact CB-CZ 4.38Å; L39-F77 HydrophobicContact CD1-CB 4.48Å; L39-F77 HydrophobicContact CD1-CD2 3.71Å; L39-F77 HydrophobicContact CD1-CE2 4.07Å; L39-F77 HydrophobicContact CD1-CG 4.03Å; L39-F77 HydrophobicContact CD2-CB 3.7Å; L39-F77 HydrophobicContact CD2-CD1 3.83Å; L39-F77 HydrophobicContact CD2-CD2 4.21Å; L39-F77 HydrophobicContact CD2-CG 3.63Å; L39-F77 HydrophobicContact CG-CD2 4.41Å; L39-F77 HydrophobicContact CG-CG 4.29Å; A57-F77 HydrophobicContact CB-CD1 3.57Å; A57-F77 HydrophobicContact CB-CE1 3.55Å; S71-F77 CarbonylContact O-C 3.54Å; S71-F77 VanDerWaalsContact O-CA 3.26Å; S71-F77 WeakPolarHBondContact O-CA 3.43Å; G74-F77 VanDerWaalsContact O-CE2 3.32Å; G74-F77 WeakPolarHBondContact O-CE2 3.33Å; G74-F77 WeakPolarHBondContact O-CZ 3.33Å
78	T	98.7	Very high	98.1	Very high	33 Å²	33	37.6 Å²	37.6	20%	0.202	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	150.5	171.5	69.1	0	0	0	0	112	T20 M21 G70 S71	T20-T78 HydrophobicContact CG2-CG2 4.08Å; M21-T78 CarbonylContact O-C 3.15Å; M21-T78 WeakPolarHBondContact O-CA 3.33Å; M21-T78 WeakPolarHBondContact O-CB 3.12Å; G70-T78 WeakPolarHBondContact CA-O 3.25Å; S71-T78 PolarHBondContact N-O 3.36Å; S71-T78 PolarHBondContact O-N 2.95Å; S71-T78 PolarHBondContact OG-OG1 2.7Å
79	L	98.8	Very high	98	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.4	164.5	175.2	64.7	0	0	0	107.6	T20 M21 W41 L53 I54 F68 T69 Y92	T20-L79 CarbonylContact C-O 3.54Å; T20-L79 WeakPolarHBondContact CA-O 3.22Å; M21-L79 HydrophobicContact CE-CB 4.22Å; M21-L79 HydrophobicContact CE-CD2 3.49Å; M21-L79 VanDerWaalsContact CE-CD2 3.49Å; M21-L79 HydrophobicContact CE-CG 3.85Å; M21-L79 PolarHBondContact N-O 2.99Å; M21-L79 PolarHBondContact O-N 2.93Å; W41-L79 HydrophobicContact CB-CD2 4.26Å; W41-L79 HydrophobicContact CD2-CB 3.6Å; W41-L79 HydrophobicContact CD2-CD2 3.98Å; W41-L79 HydrophobicContact CD2-CG 4.31Å; W41-L79 HydrophobicContact CE3-CB 3.87Å; W41-L79 HydrophobicContact CE3-CD2 3.79Å; W41-L79 HydrophobicContact CE3-CG 4.46Å; W41-L79 HydrophobicContact CG-CB 4.11Å; W41-L79 HydrophobicContact CG-CD1 4.4Å; W41-L79 HydrophobicContact CG-CD2 4.21Å; W41-L79 HydrophobicContact CG-CG 4.49Å; W41-L79 HydrophobicContact CH2-CB 4Å; W41-L79 HydrophobicContact CZ2-CB 3.76Å; W41-L79 HydrophobicContact CZ3-CB 4.06Å; W41-L79 HydrophobicContact CZ3-CD2 4.39Å; L53-L79 HydrophobicContact CD1-CD2 4.32Å; I54-L79 HydrophobicContact CD1-CD1 3.52Å; I54-L79 HydrophobicContact CG1-CD1 4.32Å; F68-L79 HydrophobicContact CD1-CD1 4.35Å; T69-L79 CarbonylContact O-C 3.58Å; T69-L79 WeakPolarHBondContact O-CA 3.37Å; L79-Y92 HydrophobicContact CD2-CD1 3.6Å; L79-Y92 HydrophobicContact CD2-CE1 4.13Å; L79-Y92 HydrophobicContact CD2-CG 4.34Å
80	T	98.8	Very high	97.9	Very high	16 Å²	16	42.5 Å²	42.5	10%	0.098	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.7	177.3	-68.4	0	0	0	0	110	K18 V19 T20 F68 T69	K18-T80 HydrophobicContact CD-CG2 4.41Å; K18-T80 VanDerWaalsContact CE-CG2 3.45Å; K18-T80 HydrophobicContact CG-CG2 4.19Å; V19-T80 CarbonylContact O-C 3.44Å; V19-T80 VanDerWaalsContact O-CA 3.23Å; V19-T80 WeakPolarHBondContact O-CA 3.46Å; T20-T80 PolarHBondContact OG1-OG1 2.88Å; F68-T80 CarbonylContact C-O 3.57Å; F68-T80 WeakPolarHBondContact CA-O 2.98Å; T69-T80 PolarHBondContact N-O 3.37Å; T69-T80 PolarHBondContact O-N 2.93Å; T69-T80 WeakPolarHBondContact OG1-CB 3.33Å; T69-T80 PolarHBondContact OG1-O 2.64Å
81	I	98.7	Very high	97.9	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	111.7	167.1	-47.8	178.5	0	0	0	106	K18 V19 M21 R67 F68 S83 V84 Y92	K18-I81 WeakPolarHBondContact CA-O 3.19Å; V19-I81 PolarHBondContact N-O 3.25Å; V19-I81 PolarHBondContact O-N 2.76Å; M21-I81 HydrophobicContact CE-CD1 4.3Å; R67-I81 HydrophobicContact CG-CG2 4.44Å; R67-I81 CarbonylContact O-C 3.54Å; R67-I81 VanDerWaalsContact O-CA 3.28Å; R67-I81 WeakPolarHBondContact O-CA 3.47Å; F68-I81 HydrophobicContact CD1-CD1 4.26Å; F68-I81 HydrophobicContact CD1-CG1 3.81Å; F68-I81 HydrophobicContact CE1-CD1 3.56Å; F68-I81 HydrophobicContact CE1-CG1 3.61Å; F68-I81 HydrophobicContact CE1-CG2 4.39Å; F68-I81 HydrophobicContact CZ-CD1 4.25Å; F68-I81 HydrophobicContact CZ-CG1 4.47Å; I81-S83 VanDerWaalsContact C-N 3.34Å; I81-S83 PolarHBondContact O-N 3.32Å; I81-V84 HydrophobicContact CB-CG2 4.1Å; I81-V84 HydrophobicContact CG2-CG2 3.86Å; I81-Y92 HydrophobicContact CD1-CE1 4.33Å; I81-Y92 HydrophobicContact CD1-CE2 4.34Å; I81-Y92 WeakPolarHBondContact CD1-OH 3.38Å
82	S	98.6	Very high	97.9	Very high	65 Å²	65	43.9 Å²	43.9	46%	0.455	27%	0.273	S	S	.	.	S	Bend	trans	-71	-29.3	-172.8	62	0	0	0	0	113.5	R67	R67-S82 VanDerWaalsContact CA-OG 3.31Å; R67-S82 WeakPolarHBondContact CA-OG 3.38Å; R67-S82 WeakPolarHBondContact CB-OG 3.49Å; R67-S82 PolarHBondContact O-N 3.33Å
83	S	98.4	Very high	97.8	Very high	42 Å²	42	46.4 Å²	46.4	29%	0.294	27%	0.272	S	S	.	.	S	Bend	trans	-153.6	99.9	179.5	-169.9	0	0	0	0	109.5	G16 R67 I81	G16-S83 WeakPolarHBondContact CA-OG 3.23Å; G16-S83 PolarHBondContact O-OG 2.86Å; R67-S83 VanDerWaalsContact CD-O 3.25Å; R67-S83 WeakPolarHBondContact CD-O 3.3Å; I81-S83 VanDerWaalsContact C-N 3.34Å; I81-S83 PolarHBondContact O-N 3.32Å
84	V	98.3	Very high	97.8	Very high	11 Å²	11	43.9 Å²	43.9	7%	0.067	25%	0.254	C	S	.	.			trans	-65.4	134.5	-174.4	169.5	0	0	0	0	111.5	V13 A15 G16 E17 V19 I81 D88	V13-V84 HydrophobicContact CG2-CB 4.43Å; V13-V84 HydrophobicContact CG2-CG1 3.98Å; V13-V84 HydrophobicContact CG2-CG2 4.19Å; A15-V84 WeakPolarHBondContact CA-O 3.46Å; G16-V84 PolarHBondContact N-O 2.8Å; E17-V84 WeakPolarHBondContact O-CG2 3.5Å; E17-V84 PolarHBondContact O-N 3.3Å; V19-V84 HydrophobicContact CB-CG2 4.24Å; V19-V84 HydrophobicContact CG2-CG2 3.86Å; I81-V84 HydrophobicContact CB-CG2 4.1Å; I81-V84 HydrophobicContact CG2-CG2 3.86Å; V84-D88 HydrophobicContact CG1-CB 4.38Å
85	Q	98.2	Very high	97.7	Very high	78 Å²	78	48.1 Å²	48.1	36%	0.364	27%	0.271	S	S	.	.			trans	-113.7	165.4	173.9	-57.7	-60.8	-28.7	0	0	111.5	E87 D88	Q85-E87 WeakPolarHBondContact CB-OE2 3.26Å; Q85-E87 PolarHBondContact O-N 3.45Å; Q85-D88 PolarHBondContact N-OD2 3.02Å; Q85-D88 WeakPolarHBondContact O-CB 3.37Å; Q85-D88 PolarHBondContact O-N 2.95Å
86	A	96	Very high	97.5	Very high	79 Å²	79	46.7 Å²	46.7	65%	0.653	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-58.8	-35.3	179.3	0	0	0	0	0	112.4	D88 L89	A86-D88 PolarHBondContact O-N 2.84Å; A86-L89 WeakPolarHBondContact O-CG 3.46Å; A86-L89 PolarHBondContact O-N 3.08Å
87	E	96.2	Very high	96.7	Very high	93 Å²	93	45.9 Å²	45.9	44%	0.435	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-71.8	-8	177.6	72.6	-93.2	-163.1	0	0	114.6	K45 R67 Q85 L89	K45-E87 WeakPolarHBondContact CE-O 3.33Å; K45-E87 PolarHBondContact NZ-O 3.03Å; R67-E87 IonicContact CZ-OE1 3.57Å; R67-E87 IonicContact NH1-OE1 3.72Å; R67-E87 IonicContact NH2-OE1 2.76Å; R67-E87 PolarHBondContact NH2-OE1 2.89Å; Q85-E87 WeakPolarHBondContact CB-OE2 3.26Å; Q85-E87 PolarHBondContact O-N 3.45Å; E87-L89 VanDerWaalsContact C-N 3.3Å
88	D	97.5	Very high	95.4	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.037	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-84.7	-5	179.4	-58.8	-26.4	0	0	0	112.2	R67 F68 V84 Q85 A86 A90 Y92	R67-D88 IonicContact CZ-OD1 3.46Å; R67-D88 IonicContact CZ-OD2 3.7Å; R67-D88 IonicContact NE-OD1 3.27Å; R67-D88 PolarHBondContact NE-OD1 2.89Å; R67-D88 IonicContact NE-OD2 2.93Å; R67-D88 PolarHBondContact NE-OD2 3.36Å; R67-D88 IonicContact NH2-OD1 2.78Å; R67-D88 PolarHBondContact NH2-OD1 2.94Å; R67-D88 IonicContact NH2-OD2 3.67Å; F68-D88 HydrophobicContact CZ-CB 4.35Å; F68-D88 VanDerWaalsContact CZ-OD1 3.27Å; F68-D88 WeakPolarHBondContact CZ-OD1 3.32Å; V84-D88 HydrophobicContact CG1-CB 4.38Å; Q85-D88 PolarHBondContact N-OD2 3.02Å; Q85-D88 WeakPolarHBondContact O-CB 3.37Å; Q85-D88 PolarHBondContact O-N 2.95Å; A86-D88 PolarHBondContact O-N 2.84Å; D88-A90 PolarHBondContact O-N 3.36Å; D88-Y92 WeakPolarHBondContact O-CE2 3.33Å; D88-Y92 PolarHBondContact O-OH 3.22Å
89	L	96.2	Very high	93.4	Very high	128 Å²	128	53.5 Å²	53.5	67%	0.67	30%	0.299	S	S	*	.			trans	-63.6	104.4	173.6	-66.7	174.7	0	0	0	110.8	A86 E87	A86-L89 WeakPolarHBondContact O-CG 3.46Å; A86-L89 PolarHBondContact O-N 3.08Å; E87-L89 VanDerWaalsContact C-N 3.3Å
90	A	97.5	Very high	91	Very high	30 Å²	30	64.1 Å²	64.1	25%	0.248	34%	0.341	C	S	.	.	S	Bend	trans	-162.4	167.4	-172.9	0	0	0	0	0	110.8	Q43 Q44 K45 D88 Y92	Q43-A90 HydrophobicContact CG-CB 3.31Å; Q44-A90 WeakPolarHBondContact O-CA 3.26Å; Q44-A90 WeakPolarHBondContact O-CB 3.41Å; K45-A90 HydrophobicContact CG-CB 4.18Å; D88-A90 PolarHBondContact O-N 3.36Å; A90-Y92 HydrophobicContact CB-CD2 4.46Å; A90-Y92 HydrophobicContact CB-CE2 3.95Å
91	V	98.1	Very high	88.3	Confident	76 Å²	76	72.2 Å²	72.2	46%	0.461	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	138.9	160.7	-166.6	0	0	0	0	108.7	Q44 Y93	Q44-V91 PolarHBondContact N-O 3.24Å; Q44-V91 PolarHBondContact O-N 2.99Å; V91-Y93 HydrophobicContact CB-CE2 3.85Å; V91-Y93 WeakPolarHBondContact CB-OH 3.4Å; V91-Y93 HydrophobicContact CG1-CD1 4.35Å; V91-Y93 HydrophobicContact CG1-CD2 4.5Å; V91-Y93 HydrophobicContact CG1-CE1 3.56Å; V91-Y93 HydrophobicContact CG1-CE2 3.73Å; V91-Y93 WeakPolarHBondContact CG1-OH 3.31Å
92	Y	98.3	Very high	87.8	Confident	22 Å²	22	75.6 Å²	75.6	9%	0.086	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.1	-179.5	-67.9	-92.7	0	0	0	110.4	Q6 M21 Y42 Q43 L53 F68 L79 I81 D88 A90	Q6-Y92 PolarHBondContact NE2-O 2.69Å; M21-Y92 HydrophobicContact CE-CD1 4.02Å; M21-Y92 HydrophobicContact CE-CD2 3.96Å; M21-Y92 HydrophobicContact CE-CE1 4.44Å; M21-Y92 HydrophobicContact CE-CE2 4.41Å; M21-Y92 HydrophobicContact CE-CG 3.73Å; M21-Y92 HydrophobicContact SD-CD2 3.92Å; M21-Y92 HydrophobicContact SD-CG 3.85Å; Y42-Y92 WeakPolarHBondContact O-CA 3.09Å; Q43-Y92 HydrophobicContact CB-CD1 4.26Å; Q43-Y92 HydrophobicContact CB-CE1 4.02Å; Q43-Y92 HydrophobicContact CG-CD1 4.36Å; Q43-Y92 HydrophobicContact CG-CE1 3.83Å; Q43-Y92 PolarHBondContact NE2-OH 3.14Å; L53-Y92 HydrophobicContact CD1-CD1 3.91Å; L53-Y92 HydrophobicContact CD1-CE1 3.61Å; F68-Y92 AromaticContact CE1-CE1 3.8Å; F68-Y92 HydrophobicContact CE1-CE1 3.8Å; L79-Y92 HydrophobicContact CD2-CD1 3.6Å; L79-Y92 HydrophobicContact CD2-CE1 4.13Å; L79-Y92 HydrophobicContact CD2-CG 4.34Å; I81-Y92 HydrophobicContact CD1-CE1 4.33Å; I81-Y92 HydrophobicContact CD1-CE2 4.34Å; I81-Y92 WeakPolarHBondContact CD1-OH 3.38Å; D88-Y92 WeakPolarHBondContact O-CE2 3.33Å; D88-Y92 PolarHBondContact O-OH 3.22Å; A90-Y92 HydrophobicContact CB-CD2 4.46Å; A90-Y92 HydrophobicContact CB-CE2 3.95Å
93	Y	96.6	Very high	87.2	Confident	91 Å²	91	76.2 Å²	76.2	36%	0.357	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.9	-177.9	-51.4	-82.1	0	0	0	110	W41 Y42 Q44 V91	W41-Y93 CarbonylContact C-O 3.55Å; W41-Y93 VanDerWaalsContact CA-O 3.31Å; W41-Y93 WeakPolarHBondContact CA-O 3.5Å; Y42-Y93 PolarHBondContact N-O 3.41Å; Y42-Y93 PolarHBondContact O-N 2.98Å; Q44-Y93 HydrophobicContact CB-CD2 4.49Å; Q44-Y93 HydrophobicContact CB-CE2 3.77Å; Q44-Y93 PolarHBondContact OE1-OH 3.12Å; V91-Y93 HydrophobicContact CB-CE2 3.85Å; V91-Y93 WeakPolarHBondContact CB-OH 3.4Å; V91-Y93 HydrophobicContact CG1-CD1 4.35Å; V91-Y93 HydrophobicContact CG1-CD2 4.5Å; V91-Y93 HydrophobicContact CG1-CE1 3.56Å; V91-Y93 HydrophobicContact CG1-CE2 3.73Å; V91-Y93 WeakPolarHBondContact CG1-OH 3.31Å
94	C	96.8	Very high	86.6	Confident	8 Å²	8	78.1 Å²	78.1	5%	0.054	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	140.9	162.6	67.2	0	0	0	0	109.6	Q6 C23 L39 A40 W41	Q6-C94 WeakPolarHBondContact CG-SG 3.11Å; Q6-C94 PolarHBondContact OE1-SG 2.99Å; C23-C94 HydrophobicContact CB-CB 3.56Å; C23-C94 WeakPolarHBondContact CB-SG 3.41Å; C23-C94 WeakPolarHBondContact SG-CB 3.25Å; C23-C94 CovalentContact SG-SG 2.01Å; C23-C94 PolarHBondContact SG-SG 2.85Å; L39-C94 HydrophobicContact CD1-CB 4.19Å; A40-C94 CarbonylContact O-C 3.48Å; A40-C94 VanDerWaalsContact O-CA 3.31Å; A40-C94 WeakPolarHBondContact O-CA 3.5Å; W41-C94 HydrophobicContact CD2-CB 3.95Å; W41-C94 HydrophobicContact CE3-CB 3.78Å; W41-C94 HydrophobicContact CH2-CB 3.86Å; W41-C94 HydrophobicContact CZ2-CB 3.99Å; W41-C94 HydrophobicContact CZ3-CB 3.74Å
95	Q	95.3	Very high	85.9	Confident	100 Å²	100	82 Å²	82	47%	0.467	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.5	179.2	-169	177.7	1.9	0	0	109.2	L39 A40 Y42	L39-Q95 WeakPolarHBondContact CA-O 3.34Å; A40-Q95 PolarHBondContact N-O 2.88Å; A40-Q95 PolarHBondContact O-N 3.43Å; Y42-Q95 HydrophobicContact CD2-CB 4.4Å; Y42-Q95 HydrophobicContact CE2-CB 3.99Å
96	N	92.8	Very high	85.1	Confident	24 Å²	24	82.3 Å²	82.3	13%	0.128	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	138.1	167	74.8	91.3	0	0	0	109.7	I2 M4 L29 Y38	I2-N96 HydrophobicContact CG2-CB 4.2Å; M4-N96 HydrophobicContact SD-CB 3.94Å; L29-N96 HydrophobicContact CD1-CB 3.89Å; L29-N96 HydrophobicContact CD2-CB 3.64Å; L29-N96 HydrophobicContact CG-CB 4.44Å; Y38-N96 CarbonylContact O-C 3.57Å; Y38-N96 WeakPolarHBondContact O-CA 3.21Å
97	D	81.6	Confident	84.4	Confident	53 Å²	53	82.5 Å²	82.5	28%	0.283	43%	0.428	S	S	.	.			trans	-105.5	19.9	178.5	-54.8	-40.1	0	0	0	111.4	Y38 A40 S99	Y38-D97 PolarHBondContact O-N 2.86Å; A40-D97 VanDerWaalsContact CB-OD2 3.3Å; A40-D97 WeakPolarHBondContact CB-OD2 3.31Å; A40-D97 PolarHBondContact N-OD2 2.91Å; D97-S99 PolarHBondContact O-N 2.87Å
98	H	71.4	Confident	83.5	Confident	112 Å²	112	81.7 Å²	81.7	52%	0.519	43%	0.427	S	S	.	.	S	Bend	trans	-67	-27.3	-174.9	-164.1	75	0	0	0	112.4	I2 Y38	I2-H98 HydrophobicContact CD1-CB 3.99Å; Y38-H98 AromaticContact CD2-ND1 3.81Å
99	S	57.6	Low	82.5	Confident	84 Å²	84	87.5 Å²	87.5	59%	0.587	46%	0.457	S	S	*	.			trans	-132.6	114.9	174.1	52.8	0	0	0	0	108.3	D97	D97-S99 PolarHBondContact O-N 2.87Å
100	Y	47.3	Very low	81.3	Confident	222 Å²	222	84.1 Å²	84.1	87%	0.871	44%	0.44	S	S	*	.			trans	-62.8	138.7	149.3	-123.2	-100.2	0	0	0	106.8
101	P	42.6	Very low	79.9	Confident	187 Å²	187	89 Å²	89	100%	1.214	46%	0.457	S	S	*	.			trans	-56.5	0	172.6	24.1	-32.6	0	0	0	112.1

Retrieved 101 of 101 residues in 90 ms (Link to these results)

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