A0A096NNB2_PAPAN Loading...

40S ribosomal protein S21

Component of the small ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell.

AlphaFold DB (G5C8F1), UniProt , Accession A0A096NNB2, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 83 aa.

						>A0A096NNB2_PAPAN|A0A096NNB2
MQNDAGEFVDLYVPRKCSASNRIIGAKDHASIQMNVAEVDKVTGRFNGQFKTYAICGAIRRMGESDDSILRLAKADGIVSKNF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	88.8	Confident	93.4	Very high	148 Å²	148	112.2 Å²	112.2	73%	0.729	61%	0.609	S	S	*	*				0	132.8	0	-170.1	166.6	179.2	0	0	106.6	F8 V9 D10	M1-F8 WeakPolarHBondContact O-CA 3.25Å; M1-V9 HydrophobicContact CB-CG2 4.27Å; M1-V9 HydrophobicContact CG-CG2 4.34Å; M1-V9 PolarHBondContact O-N 2.88Å; M1-V9 VanDerWaalsContact O-N 3.1Å; M1-D10 WeakPolarHBondContact CA-OD2 3.5Å; M1-D10 WeakPolarHBondContact CB-OD1 3.45Å; M1-D10 VanDerWaalsContact CB-OD2 3.27Å; M1-D10 WeakPolarHBondContact CB-OD2 3.46Å; M1-D10 PolarHBondContact N-OD2 2.91Å
2	Q	93.6	Very high	93.4	Very high	109 Å²	109	114.8 Å²	114.8	51%	0.509	61%	0.605	S	S	.	*	B	Isolated β-bridge	trans	-109.3	144.9	176.3	-73	177.4	-22.3	0	0	109.2	E7 F8	Q2-E7 CarbonylContact C-O 3.53Å; Q2-E7 WeakPolarHBondContact CA-O 3.42Å; Q2-F8 HydrophobicContact CG-CD1 3.84Å; Q2-F8 HydrophobicContact CG-CE1 3.84Å; Q2-F8 HydrophobicContact CG-CG 4.25Å; Q2-F8 HydrophobicContact CG-CZ 4.24Å
3	N	93.6	Very high	93.5	Very high	56 Å²	56	115.5 Å²	115.5	30%	0.299	62%	0.616	S	S	.	*			trans	-79.3	177.5	167.7	67.7	9.5	0	0	0	110.7	A5 G6 E7 V9	N3-A5 PolarHBondContact O-N 3.13Å; N3-A5 VanDerWaalsContact O-N 3.17Å; N3-A5 WeakPolarHBondContact OD1-CA 3.5Å; N3-A5 WeakPolarHBondContact OD1-CB 3.48Å; N3-A5 PolarHBondContact OD1-N 2.79Å; N3-A5 VanDerWaalsContact OD1-N 3.09Å; N3-G6 PolarHBondContact O-N 2.81Å; N3-G6 PolarHBondContact OD1-N 3.31Å; N3-G6 VanDerWaalsContact OD1-N 3.11Å; N3-E7 PolarHBondContact N-O 3.37Å; N3-E7 PolarHBondContact ND2-OE2 3.41Å; N3-E7 WeakPolarHBondContact OD1-CB 3.32Å; N3-E7 PolarHBondContact OD1-N 3.32Å; N3-V9 HydrophobicContact CB-CG1 4.01Å
4	D	95	Very high	93.6	Very high	184 Å²	184	110 Å²	110	98%	0.984	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-18.7	179.6	-62	-26.6	0	0	0	113.5	G6	D4-G6 VanDerWaalsContact C-N 3.31Å
5	A	94.9	Very high	93.9	Very high	81 Å²	81	109.8 Å²	109.8	67%	0.669	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-0.6	173.5	0	0	0	0	0	113.4	N3 E7	N3-A5 PolarHBondContact O-N 3.13Å; N3-A5 VanDerWaalsContact O-N 3.17Å; N3-A5 WeakPolarHBondContact OD1-CA 3.5Å; N3-A5 WeakPolarHBondContact OD1-CB 3.48Å; N3-A5 PolarHBondContact OD1-N 2.79Å; N3-A5 VanDerWaalsContact OD1-N 3.09Å; A5-E7 HydrophobicContact CB-CG 4.33Å
6	G	93.2	Very high	94.1	Very high	40 Å²	40	111.3 Å²	111.3	41%	0.412	58%	0.578	S	S	.	*	S	Bend	trans	82.7	7.7	-179.9	0	0	0	0	0	114.9	N3 D4	N3-G6 PolarHBondContact O-N 2.81Å; N3-G6 PolarHBondContact OD1-N 3.31Å; N3-G6 VanDerWaalsContact OD1-N 3.11Å; D4-G6 VanDerWaalsContact C-N 3.31Å
7	E	94.2	Very high	94.3	Very high	121 Å²	121	104.7 Å²	104.7	57%	0.565	54%	0.544	S	S	*	.			trans	-85	138.4	-178.2	-54.7	174.3	139.7	0	0	111.1	Q2 N3 A5 V9	Q2-E7 CarbonylContact C-O 3.53Å; Q2-E7 WeakPolarHBondContact CA-O 3.42Å; N3-E7 PolarHBondContact N-O 3.37Å; N3-E7 PolarHBondContact ND2-OE2 3.41Å; N3-E7 WeakPolarHBondContact OD1-CB 3.32Å; N3-E7 PolarHBondContact OD1-N 3.32Å; A5-E7 HydrophobicContact CB-CG 4.33Å; E7-V9 PolarHBondContact O-N 2.83Å
8	F	92.4	Very high	94.5	Very high	161 Å²	161	101.2 Å²	101.2	71%	0.706	53%	0.53	S	S	*	.	B	Isolated β-bridge	trans	-74.3	117.2	174.4	-71.6	-80.8	0	0	0	110.7	M1 Q2	M1-F8 WeakPolarHBondContact O-CA 3.25Å; Q2-F8 HydrophobicContact CG-CD1 3.84Å; Q2-F8 HydrophobicContact CG-CE1 3.84Å; Q2-F8 HydrophobicContact CG-CG 4.25Å; Q2-F8 HydrophobicContact CG-CZ 4.24Å
9	V	95	Very high	94.7	Very high	80 Å²	80	96.8 Å²	96.8	49%	0.485	51%	0.51	S	S	.	.			trans	-104.4	-5.4	-176.6	-64.5	0	0	0	0	114	M1 N3 E7	M1-V9 HydrophobicContact CB-CG2 4.27Å; M1-V9 HydrophobicContact CG-CG2 4.34Å; M1-V9 PolarHBondContact O-N 2.88Å; M1-V9 VanDerWaalsContact O-N 3.1Å; N3-V9 HydrophobicContact CB-CG1 4.01Å; E7-V9 PolarHBondContact O-N 2.83Å
10	D	93.1	Very high	94.8	Very high	80 Å²	80	94.4 Å²	94.4	43%	0.428	50%	0.501	S	S	.	.			trans	-76.5	141.9	179.3	-75.8	-23.5	0	0	0	111.9	M1 Y12	M1-D10 WeakPolarHBondContact CA-OD2 3.5Å; M1-D10 WeakPolarHBondContact CB-OD1 3.45Å; M1-D10 VanDerWaalsContact CB-OD2 3.27Å; M1-D10 WeakPolarHBondContact CB-OD2 3.46Å; M1-D10 PolarHBondContact N-OD2 2.91Å; D10-Y12 VanDerWaalsContact C-N 3.34Å; D10-Y12 PolarHBondContact O-N 3.21Å
11	L	93.2	Very high	94.9	Very high	174 Å²	174	95.6 Å²	95.6	91%	0.911	51%	0.508	S	S	*	.	S	Bend	trans	-65.8	-36.7	173.9	-74.9	84.6	0	0	0	112.4
12	Y	93.8	Very high	95.2	Very high	143 Å²	143	95.8 Å²	95.8	56%	0.561	50%	0.5	S	S	*	.			trans	-161.7	156.2	176.7	72.8	-76.5	0	0	0	110.7	D10 P14	D10-Y12 VanDerWaalsContact C-N 3.34Å; D10-Y12 PolarHBondContact O-N 3.21Å; Y12-P14 HydrophobicContact CD2-CB 4.37Å; Y12-P14 HydrophobicContact CE2-CB 3.76Å
13	V	94.1	Very high	95.4	Very high	124 Å²	124	95.6 Å²	95.6	75%	0.752	50%	0.502	S	S	*	.			trans	-98.2	116	170.5	-178.2	0	0	0	0	108.5
14	P	96.2	Very high	95.6	Very high	39 Å²	39	93.4 Å²	93.4	25%	0.253	49%	0.49	S	S	.	.			trans	-69.7	156.2	-176.9	28.2	-35.2	0	0	0	112.1	Y12 I23	Y12-P14 HydrophobicContact CD2-CB 4.37Å; Y12-P14 HydrophobicContact CE2-CB 3.76Å; P14-I23 HydrophobicContact CB-CG2 3.62Å; P14-I23 HydrophobicContact CG-CD1 4.47Å; P14-I23 HydrophobicContact CG-CG2 3.4Å
15	R	97.1	Very high	95.7	Very high	107 Å²	107	86.5 Å²	86.5	40%	0.404	46%	0.462	S	S	.	.			trans	-65.1	147.8	172.7	-64.8	-178.3	-63.8	151.8	7.8	110.3	I24	R15-I24 HydrophobicContact CB-CB 4.46Å; R15-I24 HydrophobicContact CB-CD1 4.25Å; R15-I24 PolarHBondContact O-N 3.47Å
16	K	97.8	Very high	95.8	Very high	133 Å²	133	86.3 Å²	86.3	58%	0.578	46%	0.461	S	S	*	.	B	Isolated β-bridge	trans	-106.4	141.9	170.4	-73.9	-175.5	-74.8	177.9	0	110.1	S18 I23	K16-S18 PolarHBondContact O-N 2.87Å; K16-I23 HydrophobicContact CG-CG1 4.31Å
17	C	97.8	Very high	96	Very high	0 Å²	0	92.7 Å²	92.7	0%	0	48%	0.477	C	S	.	.			trans	-62.6	124.8	170.9	-178.7	0	0	0	0	109.6	A19 S20 N21 R22 I24 A54 C56	C17-A19 PolarHBondContact O-N 3.38Å; C17-S20 PolarHBondContact SG-OG 3.13Å; C17-N21 VanDerWaalsContact O-CA 3.23Å; C17-N21 WeakPolarHBondContact O-CA 3.48Å; C17-N21 PolarHBondContact O-N 3.32Å; C17-R22 WeakPolarHBondContact CB-O 3.44Å; C17-R22 PolarHBondContact N-O 2.89Å; C17-I24 HydrophobicContact CB-CG1 4.48Å; C17-A54 CarbonylContact C-O 3.57Å; C17-A54 WeakPolarHBondContact CA-O 3.45Å; C17-C56 HydrophobicContact CB-CB 3.92Å; C17-C56 PolarHBondContact SG-N 3.18Å; C17-C56 VanDerWaalsContact SG-N 3.39Å; C17-C56 VanDerWaalsContact SG-SG 3.6Å
18	S	97.9	Very high	96.1	Very high	42 Å²	42	89 Å²	89	29%	0.294	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.6	178.8	-55.4	0	0	0	0	112.4	K16 A54	K16-S18 PolarHBondContact O-N 2.87Å; S18-A54 PolarHBondContact N-O 3.16Å; S18-A54 PolarHBondContact OG-N 3.2Å; S18-A54 PolarHBondContact OG-O 3.14Å
19	A	97.2	Very high	96.4	Very high	18 Å²	18	88.8 Å²	88.8	15%	0.149	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-46.1	-177.7	0	0	0	0	0	113.1	C17 I55	C17-A19 PolarHBondContact O-N 3.38Å; A19-I55 HydrophobicContact CB-CD1 4.03Å
20	S	96.7	Very high	96.5	Very high	47 Å²	47	87.2 Å²	87.2	33%	0.329	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-1.5	-169.3	62.4	0	0	0	0	114.6	C17 R22	C17-S20 PolarHBondContact SG-OG 3.13Å; S20-R22 PolarHBondContact O-N 3.03Å
21	N	97.1	Very high	96.7	Very high	120 Å²	120	84.5 Å²	84.5	64%	0.642	45%	0.445	S	S	*	.			trans	57.4	6.3	-172.9	-64.1	-49.5	0	0	0	115.3	C17	C17-N21 VanDerWaalsContact O-CA 3.23Å; C17-N21 WeakPolarHBondContact O-CA 3.48Å; C17-N21 PolarHBondContact O-N 3.32Å
22	R	96.1	Very high	96.9	Very high	152 Å²	152	78.5 Å²	78.5	57%	0.574	41%	0.413	S	S	*	.			trans	-67.1	138.4	174.8	-171.2	180	-66	177.6	0.2	110	C17 S20	C17-R22 WeakPolarHBondContact CB-O 3.44Å; C17-R22 PolarHBondContact N-O 2.89Å; S20-R22 PolarHBondContact O-N 3.03Å
23	I	97.3	Very high	97.1	Very high	106 Å²	106	76.8 Å²	76.8	54%	0.544	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-62.7	134.7	172.5	-65	174.5	0	0	0	109.9	P14 K16	P14-I23 HydrophobicContact CB-CG2 3.62Å; P14-I23 HydrophobicContact CG-CD1 4.47Å; P14-I23 HydrophobicContact CG-CG2 3.4Å; K16-I23 HydrophobicContact CG-CG1 4.31Å
24	I	97.8	Very high	97.3	Very high	9 Å²	9	73.7 Å²	73.7	5%	0.046	39%	0.388	C	S	.	.			trans	-88.2	112.9	173.2	-61.1	174	0	0	0	107.8	R15 C17 D28 S31 A54 C56	R15-I24 HydrophobicContact CB-CB 4.46Å; R15-I24 HydrophobicContact CB-CD1 4.25Å; R15-I24 PolarHBondContact O-N 3.47Å; C17-I24 HydrophobicContact CB-CG1 4.48Å; I24-D28 HydrophobicContact CG2-CB 4.3Å; I24-S31 WeakPolarHBondContact CG2-OG 3.31Å; I24-A54 HydrophobicContact CD1-CB 3.85Å; I24-C56 HydrophobicContact CG1-CB 4.02Å
25	G	96.9	Very high	97.3	Very high	39 Å²	39	75.9 Å²	75.9	40%	0.402	40%	0.398	S	S	.	.			trans	-70.6	154.3	179.1	0	0	0	0	0	112.7	K27 D28	G25-K27 PolarHBondContact O-N 3.49Å; G25-D28 WeakPolarHBondContact O-CB 3.41Å; G25-D28 PolarHBondContact O-N 3.42Å
26	A	96.8	Very high	97.4	Very high	78 Å²	78	72.5 Å²	72.5	65%	0.645	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.8	-178.2	0	0	0	0	0	114.2
27	K	97.6	Very high	97.3	Very high	173 Å²	173	68.6 Å²	68.6	75%	0.752	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	7.7	177.1	-63	-62.2	-172.8	179	0	113.7	G25 H29	G25-K27 PolarHBondContact O-N 3.49Å; K27-H29 PolarHBondContact O-CD2 2.6Å; K27-H29 PolarHBondContact O-N 3.12Å
28	D	97.2	Very high	97.3	Very high	44 Å²	44	72.4 Å²	72.4	24%	0.235	40%	0.399	C	S	.	.			trans	-77.3	79.1	171.4	-175	5.1	0	0	0	110	I24 G25 A30 S31 G57	I24-D28 HydrophobicContact CG2-CB 4.3Å; G25-D28 WeakPolarHBondContact O-CB 3.41Å; G25-D28 PolarHBondContact O-N 3.42Å; D28-A30 PolarHBondContact O-N 2.89Å; D28-A30 PolarHBondContact OD1-N 2.83Å; D28-S31 WeakPolarHBondContact O-CB 3.46Å; D28-S31 PolarHBondContact O-N 3.08Å; D28-S31 VanDerWaalsContact O-N 3.1Å; D28-S31 PolarHBondContact O-OG 2.77Å; D28-S31 PolarHBondContact OD1-N 3.36Å; D28-S31 VanDerWaalsContact OD1-N 3.11Å; D28-G57 PolarHBondContact OD2-N 2.77Å
29	H	97.4	Very high	97.2	Very high	156 Å²	156	74.5 Å²	74.5	72%	0.722	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-11.8	177.2	-60.1	-62.8	0	0	0	113.2	K27 S31	K27-H29 PolarHBondContact O-CD2 2.6Å; K27-H29 PolarHBondContact O-N 3.12Å; H29-S31 VanDerWaalsContact C-N 3.35Å
30	A	97.8	Very high	97.1	Very high	47 Å²	47	76.6 Å²	76.6	39%	0.388	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-10	171.5	0	0	0	0	0	111.8	D28 R60	D28-A30 PolarHBondContact O-N 2.89Å; D28-A30 PolarHBondContact OD1-N 2.83Å; A30-R60 WeakPolarHBondContact O-CD 3.46Å; A30-R60 PolarHBondContact O-NH1 2.82Å
31	S	97.4	Very high	97	Very high	23 Å²	23	84.3 Å²	84.3	16%	0.161	45%	0.447	C	S	.	.			trans	-66.6	148.4	173.6	67.5	0	0	0	0	112	I24 D28 H29 I55	I24-S31 WeakPolarHBondContact CG2-OG 3.31Å; D28-S31 WeakPolarHBondContact O-CB 3.46Å; D28-S31 PolarHBondContact O-N 3.08Å; D28-S31 VanDerWaalsContact O-N 3.1Å; D28-S31 PolarHBondContact O-OG 2.77Å; D28-S31 PolarHBondContact OD1-N 3.36Å; D28-S31 VanDerWaalsContact OD1-N 3.11Å; H29-S31 VanDerWaalsContact C-N 3.35Å; S31-I55 WeakPolarHBondContact CA-O 3.29Å
32	I	97.6	Very high	96.9	Very high	49 Å²	49	85.1 Å²	85.1	25%	0.251	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	157.8	174.4	62.5	167.4	0	0	0	111.2	A54 I55 R60	I32-A54 WeakPolarHBondContact O-CA 3.23Å; I32-I55 HydrophobicContact CG1-CB 3.97Å; I32-I55 PolarHBondContact N-O 2.93Å; I32-I55 PolarHBondContact O-N 2.88Å; I32-R60 VanDerWaalsContact CG2-CZ 3.43Å
33	Q	97.6	Very high	96.9	Very high	107 Å²	107	81.8 Å²	81.8	50%	0.5	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122	163.1	-172.9	168.6	-37.1	0	0	107.6	T52 Y53	Q33-T52 HydrophobicContact CG-CG2 3.36Å; Q33-Y53 CarbonylContact C-O 3.5Å; Q33-Y53 WeakPolarHBondContact CA-O 3.37Å
34	M	97.2	Very high	96.8	Very high	58 Å²	58	79.3 Å²	79.3	29%	0.286	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.6	-178.6	-170.7	-178.8	70.9	0	0	109.2	V36 T52 Y53 I69	M34-V36 HydrophobicContact CE-CG2 3.77Å; M34-T52 WeakPolarHBondContact O-CA 3.44Å; M34-Y53 HydrophobicContact CE-CD2 4.02Å; M34-Y53 PolarHBondContact N-O 2.88Å; M34-Y53 PolarHBondContact O-N 3.29Å; M34-I69 HydrophobicContact CE-CB 4.41Å; M34-I69 HydrophobicContact CE-CD1 3.82Å; M34-I69 HydrophobicContact CE-CG1 4.07Å; M34-I69 HydrophobicContact CE-CG2 3.45Å; M34-I69 VanDerWaalsContact CE-CG2 3.45Å; M34-I69 HydrophobicContact SD-CD1 4.02Å
35	N	98	Very high	96.8	Very high	86 Å²	86	87.9 Å²	87.9	46%	0.46	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.3	175.9	-68.5	-17.2	0	0	0	109.1	F50 T52	N35-F50 HydrophobicContact CB-CB 4.04Å; N35-F50 HydrophobicContact CB-CD1 3.79Å; N35-F50 HydrophobicContact CB-CE1 4.47Å; N35-F50 HydrophobicContact CB-CG 4Å; N35-T52 WeakPolarHBondContact OD1-CG2 3.36Å; N35-T52 PolarHBondContact OD1-OG1 3.38Å
36	V	97.3	Very high	96.8	Very high	36 Å²	36	91.2 Å²	91.2	22%	0.218	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.9	173.9	-175.3	0	0	0	0	108	M34 E38 F50 K51 Y53 I78	M34-V36 HydrophobicContact CE-CG2 3.77Å; V36-E38 PolarHBondContact O-N 2.81Å; V36-F50 CarbonylContact O-C 3.56Å; V36-F50 VanDerWaalsContact O-CA 3.28Å; V36-F50 WeakPolarHBondContact O-CA 3.32Å; V36-K51 PolarHBondContact N-O 3.41Å; V36-K51 PolarHBondContact O-N 2.8Å; V36-Y53 HydrophobicContact CG2-CD2 4.13Å; V36-Y53 HydrophobicContact CG2-CE2 3.94Å; V36-I78 HydrophobicContact CB-CD1 4.29Å; V36-I78 HydrophobicContact CG1-CD1 4.02Å; V36-I78 HydrophobicContact CG1-CG2 4.02Å
37	A	97.5	Very high	96.8	Very high	50 Å²	50	90.9 Å²	90.9	41%	0.413	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	130.6	-179.6	0	0	0	0	0	110.9	F46 F50	A37-F46 HydrophobicContact CB-CD2 3.58Å; A37-F46 HydrophobicContact CB-CE2 3.76Å; A37-F50 HydrophobicContact CB-CD1 4.27Å; A37-F50 HydrophobicContact CB-CE1 4.12Å
38	E	96.8	Very high	96.7	Very high	80 Å²	80	84.5 Å²	84.5	37%	0.374	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	146	168.8	-66.3	-170.2	177.7	0	0	110.5	V36 F46 N47 Q49	V36-E38 PolarHBondContact O-N 2.81Å; E38-F46 WeakPolarHBondContact O-CA 3.39Å; E38-F46 WeakPolarHBondContact O-CD2 3.28Å; E38-N47 WeakPolarHBondContact CB-ND2 3.3Å; E38-N47 WeakPolarHBondContact CB-OD1 3.47Å; E38-N47 PolarHBondContact O-N 3.17Å; E38-N47 VanDerWaalsContact O-N 3.08Å; E38-N47 PolarHBondContact O-OD1 2.94Å; E38-N47 VanDerWaalsContact O-OD1 3.12Å; E38-Q49 HydrophobicContact CB-CB 4.28Å; E38-Q49 HydrophobicContact CG-CB 4.48Å; E38-Q49 PolarHBondContact N-O 2.75Å
39	V	96.3	Very high	96.7	Very high	86 Å²	86	88 Å²	88	52%	0.521	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.8	-178.8	-63.8	0	0	0	0	110.8	R45	V39-R45 CarbonylContact C-O 3.57Å; V39-R45 WeakPolarHBondContact CA-O 2.99Å
40	D	95.5	Very high	96.7	Very high	62 Å²	62	85.3 Å²	85.3	33%	0.332	46%	0.46	S	S	.	.			trans	-63.9	135.2	170.2	172.4	-106.6	0	0	0	110.5	V42 T43 G44 R45	D40-V42 VanDerWaalsContact C-N 3.28Å; D40-V42 PolarHBondContact O-N 2.82Å; D40-V42 PolarHBondContact OD1-N 2.93Å; D40-V42 VanDerWaalsContact OD1-N 3.13Å; D40-T43 WeakPolarHBondContact CB-OG1 3.47Å; D40-T43 WeakPolarHBondContact OD1-CB 3.47Å; D40-T43 WeakPolarHBondContact OD1-CG2 3.37Å; D40-T43 PolarHBondContact OD1-N 3.1Å; D40-T43 PolarHBondContact OD1-OG1 3.26Å; D40-G44 VanDerWaalsContact O-CA 3.25Å; D40-G44 WeakPolarHBondContact O-CA 3.49Å; D40-G44 PolarHBondContact O-N 3.48Å; D40-R45 PolarHBondContact N-O 2.88Å
41	K	92.9	Very high	96.7	Very high	210 Å²	210	86.3 Å²	86.3	91%	0.913	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-24.4	-172.1	-67.8	-175.8	179.5	178.6	0	113.5
42	V	96.3	Very high	96.7	Very high	136 Å²	136	88.1 Å²	88.1	82%	0.824	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-46.8	-176.6	-179.1	0	0	0	0	110.6	D40	D40-V42 VanDerWaalsContact C-N 3.28Å; D40-V42 PolarHBondContact O-N 2.82Å; D40-V42 PolarHBondContact OD1-N 2.93Å; D40-V42 VanDerWaalsContact OD1-N 3.13Å
43	T	95.9	Very high	96.7	Very high	83 Å²	83	86 Å²	86	51%	0.509	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-17.9	-172.6	62.7	0	0	0	0	113.5	D40 R45	D40-T43 WeakPolarHBondContact CB-OG1 3.47Å; D40-T43 WeakPolarHBondContact OD1-CB 3.47Å; D40-T43 WeakPolarHBondContact OD1-CG2 3.37Å; D40-T43 PolarHBondContact OD1-N 3.1Å; D40-T43 PolarHBondContact OD1-OG1 3.26Å; T43-R45 PolarHBondContact O-N 3.42Å; T43-R45 PolarHBondContact OG1-N 3.38Å
44	G	95.4	Very high	96.7	Very high	53 Å²	53	81.4 Å²	81.4	55%	0.546	44%	0.435	S	S	.	.			trans	66.8	10.5	-173.8	0	0	0	0	0	113.9	D40	D40-G44 VanDerWaalsContact O-CA 3.25Å; D40-G44 WeakPolarHBondContact O-CA 3.49Å; D40-G44 PolarHBondContact O-N 3.48Å
45	R	97.1	Very high	96.8	Very high	189 Å²	189	78.7 Å²	78.7	71%	0.713	42%	0.421	S	S	*	.			trans	-91.4	153.1	-178.2	-66.2	-179.5	176.6	170.9	-0.9	110.8	V39 D40 T43 N47	V39-R45 CarbonylContact C-O 3.57Å; V39-R45 WeakPolarHBondContact CA-O 2.99Å; D40-R45 PolarHBondContact N-O 2.88Å; T43-R45 PolarHBondContact O-N 3.42Å; T43-R45 PolarHBondContact OG1-N 3.38Å; R45-N47 PolarHBondContact O-N 3.09Å
46	F	97.5	Very high	96.8	Very high	110 Å²	110	74.7 Å²	74.7	48%	0.482	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	130.7	174.4	175.1	-126.5	0	0	0	111.4	A37 E38 G48 Q49 F50	A37-F46 HydrophobicContact CB-CD2 3.58Å; A37-F46 HydrophobicContact CB-CE2 3.76Å; E38-F46 WeakPolarHBondContact O-CA 3.39Å; E38-F46 WeakPolarHBondContact O-CD2 3.28Å; F46-G48 VanDerWaalsContact CZ-C 3.46Å; F46-Q49 VanDerWaalsContact CE2-O 3.32Å; F46-Q49 WeakPolarHBondContact CE2-O 3.46Å; F46-F50 HydrophobicContact CE1-CZ 4.29Å; F46-F50 HydrophobicContact CE2-CD1 4.29Å; F46-F50 AromaticContact CE2-CE1 3.82Å; F46-F50 HydrophobicContact CE2-CE1 3.82Å; F46-F50 HydrophobicContact CE2-CE2 4.31Å; F46-F50 AromaticContact CE2-CZ 3.84Å; F46-F50 HydrophobicContact CE2-CZ 3.84Å; F46-F50 HydrophobicContact CZ-CD2 4.49Å; F46-F50 AromaticContact CZ-CE1 3.83Å; F46-F50 HydrophobicContact CZ-CE1 3.83Å; F46-F50 AromaticContact CZ-CE2 3.73Å; F46-F50 HydrophobicContact CZ-CE2 3.73Å; F46-F50 AromaticContact CZ-CZ 3.35Å; F46-F50 HydrophobicContact CZ-CZ 3.35Å
47	N	95.7	Very high	96.8	Very high	70 Å²	70	73.2 Å²	73.2	37%	0.374	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	3.3	-175.4	70.4	4.8	0	0	0	114.1	E38 R45 Q49	E38-N47 WeakPolarHBondContact CB-ND2 3.3Å; E38-N47 WeakPolarHBondContact CB-OD1 3.47Å; E38-N47 PolarHBondContact O-N 3.17Å; E38-N47 VanDerWaalsContact O-N 3.08Å; E38-N47 PolarHBondContact O-OD1 2.94Å; E38-N47 VanDerWaalsContact O-OD1 3.12Å; R45-N47 PolarHBondContact O-N 3.09Å; N47-Q49 VanDerWaalsContact C-N 3.35Å; N47-Q49 WeakPolarHBondContact OD1-CA 3.49Å; N47-Q49 VanDerWaalsContact OD1-CB 3.31Å; N47-Q49 WeakPolarHBondContact OD1-CB 3.19Å; N47-Q49 PolarHBondContact OD1-N 3.11Å
48	G	95.8	Very high	96.8	Very high	39 Å²	39	71.9 Å²	71.9	40%	0.402	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	89.9	-10.8	-176.5	0	0	0	0	0	115	F46	F46-G48 VanDerWaalsContact CZ-C 3.46Å
49	Q	96.9	Very high	96.8	Very high	119 Å²	119	69 Å²	69	56%	0.556	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	152.4	-178.1	-56.9	-58.8	-43.2	0	0	111.7	E38 F46 N47	E38-Q49 HydrophobicContact CB-CB 4.28Å; E38-Q49 HydrophobicContact CG-CB 4.48Å; E38-Q49 PolarHBondContact N-O 2.75Å; F46-Q49 VanDerWaalsContact CE2-O 3.32Å; F46-Q49 WeakPolarHBondContact CE2-O 3.46Å; N47-Q49 VanDerWaalsContact C-N 3.35Å; N47-Q49 WeakPolarHBondContact OD1-CA 3.49Å; N47-Q49 VanDerWaalsContact OD1-CB 3.31Å; N47-Q49 WeakPolarHBondContact OD1-CB 3.19Å; N47-Q49 PolarHBondContact OD1-N 3.11Å
50	F	97.8	Very high	96.9	Very high	99 Å²	99	70.2 Å²	70.2	43%	0.434	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	139.6	178.3	-62.9	-81.9	0	0	0	111.1	N35 V36 A37 F46	N35-F50 HydrophobicContact CB-CB 4.04Å; N35-F50 HydrophobicContact CB-CD1 3.79Å; N35-F50 HydrophobicContact CB-CE1 4.47Å; N35-F50 HydrophobicContact CB-CG 4Å; V36-F50 CarbonylContact O-C 3.56Å; V36-F50 VanDerWaalsContact O-CA 3.28Å; V36-F50 WeakPolarHBondContact O-CA 3.32Å; A37-F50 HydrophobicContact CB-CD1 4.27Å; A37-F50 HydrophobicContact CB-CE1 4.12Å; F46-F50 HydrophobicContact CE1-CZ 4.29Å; F46-F50 HydrophobicContact CE2-CD1 4.29Å; F46-F50 AromaticContact CE2-CE1 3.82Å; F46-F50 HydrophobicContact CE2-CE1 3.82Å; F46-F50 HydrophobicContact CE2-CE2 4.31Å; F46-F50 AromaticContact CE2-CZ 3.84Å; F46-F50 HydrophobicContact CE2-CZ 3.84Å; F46-F50 HydrophobicContact CZ-CD2 4.49Å; F46-F50 AromaticContact CZ-CE1 3.83Å; F46-F50 HydrophobicContact CZ-CE1 3.83Å; F46-F50 AromaticContact CZ-CE2 3.73Å; F46-F50 HydrophobicContact CZ-CE2 3.73Å; F46-F50 AromaticContact CZ-CZ 3.35Å; F46-F50 HydrophobicContact CZ-CZ 3.35Å
51	K	97.4	Very high	97	Very high	67 Å²	67	77.6 Å²	77.6	29%	0.291	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	121.7	159.3	-169.9	73.6	171.3	-154.4	0	109.1	V36 Y53 D76 I78	V36-K51 PolarHBondContact N-O 3.41Å; V36-K51 PolarHBondContact O-N 2.8Å; K51-Y53 HydrophobicContact CG-CE1 4.2Å; K51-Y53 HydrophobicContact CG-CE2 4.19Å; K51-D76 WeakPolarHBondContact CE-OD1 3.29Å; K51-D76 WeakPolarHBondContact CE-OD2 3.35Å; K51-D76 IonicContact NZ-OD1 2.77Å; K51-D76 PolarHBondContact NZ-OD1 3.04Å; K51-D76 IonicContact NZ-OD2 3.36Å; K51-D76 PolarHBondContact NZ-OD2 2.77Å; K51-I78 HydrophobicContact CB-CD1 3.88Å; K51-I78 HydrophobicContact CG-CD1 3.97Å
52	T	97.8	Very high	97.2	Very high	61 Å²	61	73.2 Å²	73.2	37%	0.374	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.3	-175	-62	0	0	0	0	111.9	Q33 M34 N35	Q33-T52 HydrophobicContact CG-CG2 3.36Å; M34-T52 WeakPolarHBondContact O-CA 3.44Å; N35-T52 WeakPolarHBondContact OD1-CG2 3.36Å; N35-T52 PolarHBondContact OD1-OG1 3.38Å
53	Y	98	Very high	97.2	Very high	6 Å²	6	69.5 Å²	69.5	2%	0.024	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138	172.1	-56.7	-65.2	0	0	0	111	Q33 M34 V36 K51 L72 D76 I78	Q33-Y53 CarbonylContact C-O 3.5Å; Q33-Y53 WeakPolarHBondContact CA-O 3.37Å; M34-Y53 HydrophobicContact CE-CD2 4.02Å; M34-Y53 PolarHBondContact N-O 2.88Å; M34-Y53 PolarHBondContact O-N 3.29Å; V36-Y53 HydrophobicContact CG2-CD2 4.13Å; V36-Y53 HydrophobicContact CG2-CE2 3.94Å; K51-Y53 HydrophobicContact CG-CE1 4.2Å; K51-Y53 HydrophobicContact CG-CE2 4.19Å; Y53-L72 HydrophobicContact CD1-CB 4.12Å; Y53-L72 HydrophobicContact CD1-CD1 3.94Å; Y53-L72 HydrophobicContact CE1-CB 3.77Å; Y53-L72 HydrophobicContact CE1-CD1 4.43Å; Y53-L72 HydrophobicContact CG-CD1 4.42Å; Y53-D76 VanDerWaalsContact CE1-OD2 3.3Å; Y53-D76 WeakPolarHBondContact CE1-OD2 3.34Å; Y53-D76 WeakPolarHBondContact OH-CB 3.33Å; Y53-D76 PolarHBondContact OH-OD2 3.41Å; Y53-I78 HydrophobicContact CE2-CD1 4.44Å; Y53-I78 WeakPolarHBondContact OH-CD1 3.47Å
54	A	98.2	Very high	97.3	Very high	10 Å²	10	70.1 Å²	70.1	8%	0.083	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124	172.7	0	0	0	0	0	109.4	C17 S18 I24 I32	C17-A54 CarbonylContact C-O 3.57Å; C17-A54 WeakPolarHBondContact CA-O 3.45Å; S18-A54 PolarHBondContact N-O 3.16Å; S18-A54 PolarHBondContact OG-N 3.2Å; S18-A54 PolarHBondContact OG-O 3.14Å; I24-A54 HydrophobicContact CD1-CB 3.85Å; I32-A54 WeakPolarHBondContact O-CA 3.23Å
55	I	98.3	Very high	97.4	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.1	178.6	-55	-63.1	0	0	0	108.7	A19 S31 I32 I59 R60 I69 L72	A19-I55 HydrophobicContact CB-CD1 4.03Å; S31-I55 WeakPolarHBondContact CA-O 3.29Å; I32-I55 HydrophobicContact CG1-CB 3.97Å; I32-I55 PolarHBondContact N-O 2.93Å; I32-I55 PolarHBondContact O-N 2.88Å; I55-I59 HydrophobicContact CG2-CB 3.91Å; I55-I59 HydrophobicContact CG2-CG2 3.88Å; I55-R60 HydrophobicContact CG2-CG 3.88Å; I55-I69 HydrophobicContact CD1-CG1 4.33Å; I55-I69 HydrophobicContact CG1-CD1 4.42Å; I55-I69 HydrophobicContact CG1-CG1 4.24Å; I55-L72 HydrophobicContact CD1-CD1 4.36Å
56	C	98	Very high	97.4	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.014	34%	0.336	C	S	.	.			trans	-74	154.7	177.7	64.8	0	0	0	0	111.9	C17 I24 A58 I59 R60	C17-C56 HydrophobicContact CB-CB 3.92Å; C17-C56 PolarHBondContact SG-N 3.18Å; C17-C56 VanDerWaalsContact SG-N 3.39Å; C17-C56 VanDerWaalsContact SG-SG 3.6Å; I24-C56 HydrophobicContact CG1-CB 4.02Å; C56-A58 PolarHBondContact O-N 3.29Å; C56-A58 VanDerWaalsContact O-N 3.15Å; C56-I59 PolarHBondContact O-N 3.37Å; C56-R60 PolarHBondContact O-N 2.98Å
57	G	97.7	Very high	97.4	Very high	6 Å²	6	64.5 Å²	64.5	6%	0.062	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-28	-177.7	0	0	0	0	0	113.7	D28 R60 R61	D28-G57 PolarHBondContact OD2-N 2.77Å; G57-R60 PolarHBondContact O-N 3.15Å; G57-R61 WeakPolarHBondContact O-CB 3.23Å; G57-R61 PolarHBondContact O-N 3.23Å
58	A	97.4	Very high	97.5	Very high	21 Å²	21	61.8 Å²	61.8	17%	0.174	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-46.1	177	0	0	0	0	0	112.7	C56 R60 R61 M62	C56-A58 PolarHBondContact O-N 3.29Å; C56-A58 VanDerWaalsContact O-N 3.15Å; A58-R60 VanDerWaalsContact C-N 3.34Å; A58-R61 PolarHBondContact O-N 2.86Å; A58-M62 WeakPolarHBondContact O-CG 3.46Å; A58-M62 PolarHBondContact O-N 2.92Å
59	I	97.6	Very high	97.6	Very high	21 Å²	21	61.4 Å²	61.4	11%	0.108	31%	0.31	C	S	.	.	H	α-helix	trans	-65.6	-40.7	178.7	-64.6	-71	0	0	0	110.4	I55 C56 R61 M62 G63 E64	I55-I59 HydrophobicContact CG2-CB 3.91Å; I55-I59 HydrophobicContact CG2-CG2 3.88Å; C56-I59 PolarHBondContact O-N 3.37Å; I59-R61 PolarHBondContact O-N 2.85Å; I59-M62 HydrophobicContact CD1-CE 3.41Å; I59-M62 VanDerWaalsContact CD1-CE 3.41Å; I59-M62 HydrophobicContact CG1-CE 4.29Å; I59-M62 PolarHBondContact O-N 2.99Å; I59-G63 PolarHBondContact O-N 3.36Å; I59-E64 HydrophobicContact CG2-CB 4.24Å; I59-E64 PolarHBondContact O-N 3.1Å
60	R	97.5	Very high	97.6	Very high	111 Å²	111	58 Å²	58	42%	0.419	30%	0.295	S	S	.	.	H	α-helix	trans	-61.9	-43.5	176.5	-62.9	-179.7	74.5	-157.2	-0.8	112.8	A30 I32 I55 C56 G57 A58 M62 G63	A30-R60 WeakPolarHBondContact O-CD 3.46Å; A30-R60 PolarHBondContact O-NH1 2.82Å; I32-R60 VanDerWaalsContact CG2-CZ 3.43Å; I55-R60 HydrophobicContact CG2-CG 3.88Å; C56-R60 PolarHBondContact O-N 2.98Å; G57-R60 PolarHBondContact O-N 3.15Å; A58-R60 VanDerWaalsContact C-N 3.34Å; R60-M62 VanDerWaalsContact C-N 3.28Å; R60-M62 PolarHBondContact O-N 2.56Å; R60-G63 PolarHBondContact O-N 2.83Å
61	R	97.4	Very high	97.6	Very high	216 Å²	216	59.3 Å²	59.3	82%	0.815	30%	0.298	S	S	*	.	H	α-helix	trans	-66.9	-29	179.2	-174.2	173	63.1	-153	0.1	112.9	G57 A58 I59 G63	G57-R61 WeakPolarHBondContact O-CB 3.23Å; G57-R61 PolarHBondContact O-N 3.23Å; A58-R61 PolarHBondContact O-N 2.86Å; I59-R61 PolarHBondContact O-N 2.85Å; R61-G63 PolarHBondContact O-N 2.99Å
62	M	97.3	Very high	97.6	Very high	119 Å²	119	57.2 Å²	57.2	59%	0.586	29%	0.289	S	S	*	.	H	α-helix	trans	-74	-13.9	176.1	-68.6	-175	-53.3	0	0	113.2	A58 I59 R60 E64	A58-M62 WeakPolarHBondContact O-CG 3.46Å; A58-M62 PolarHBondContact O-N 2.92Å; I59-M62 HydrophobicContact CD1-CE 3.41Å; I59-M62 VanDerWaalsContact CD1-CE 3.41Å; I59-M62 HydrophobicContact CG1-CE 4.29Å; I59-M62 PolarHBondContact O-N 2.99Å; R60-M62 VanDerWaalsContact C-N 3.28Å; R60-M62 PolarHBondContact O-N 2.56Å; M62-E64 VanDerWaalsContact C-N 3.28Å; M62-E64 HydrophobicContact CB-CG 4.09Å
63	G	97.4	Very high	97.6	Very high	57 Å²	57	54.7 Å²	54.7	59%	0.588	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	-7.5	-173.3	0	0	0	0	0	114.1	I59 R60 R61 S65	I59-G63 PolarHBondContact O-N 3.36Å; R60-G63 PolarHBondContact O-N 2.83Å; R61-G63 PolarHBondContact O-N 2.99Å; G63-S65 PolarHBondContact O-N 2.84Å; G63-S65 VanDerWaalsContact O-N 3.17Å
64	E	97.8	Very high	97.5	Very high	97 Å²	97	57 Å²	57	45%	0.453	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	10.9	-175.9	-59.4	-59.1	156.7	0	0	114.2	I59 M62 S68	I59-E64 HydrophobicContact CG2-CB 4.24Å; I59-E64 PolarHBondContact O-N 3.1Å; M62-E64 VanDerWaalsContact C-N 3.28Å; M62-E64 HydrophobicContact CB-CG 4.09Å; E64-S68 VanDerWaalsContact O-CB 3.23Å; E64-S68 WeakPolarHBondContact O-CB 3.2Å; E64-S68 PolarHBondContact O-N 3.39Å; E64-S68 VanDerWaalsContact O-N 3.15Å; E64-S68 PolarHBondContact O-OG 3.47Å
65	S	97.4	Very high	97.4	Very high	22 Å²	22	60.4 Å²	60.4	15%	0.154	31%	0.313	C	S	.	.	H	α-helix	trans	-69.4	-37.9	-176.4	-171.1	0	0	0	0	112.7	G63 I69	G63-S65 PolarHBondContact O-N 2.84Å; G63-S65 VanDerWaalsContact O-N 3.17Å; S65-I69 WeakPolarHBondContact O-CD1 3.27Å; S65-I69 VanDerWaalsContact O-CG1 3.29Å; S65-I69 WeakPolarHBondContact O-CG1 3.47Å; S65-I69 PolarHBondContact O-N 3.46Å
66	D	97.6	Very high	97.3	Very high	124 Å²	124	63.8 Å²	63.8	66%	0.663	33%	0.331	S	S	*	.	H	α-helix	trans	-67.7	-55.6	-179	-179.8	26.2	0	0	0	110.6	S68 I69 L70	D66-S68 VanDerWaalsContact C-N 3.26Å; D66-S68 PolarHBondContact O-N 3.17Å; D66-I69 PolarHBondContact O-N 3.39Å; D66-L70 PolarHBondContact O-N 2.71Å
67	D	97.5	Very high	97.1	Very high	88 Å²	88	66.6 Å²	66.6	47%	0.471	36%	0.361	S	S	.	.	H	α-helix	trans	-55.2	-42.8	177.5	-178.3	68.4	0	0	0	112.2	I69 L70 R71	D67-I69 VanDerWaalsContact C-N 3.34Å; D67-I69 PolarHBondContact O-N 3.28Å; D67-L70 PolarHBondContact O-N 3.43Å; D67-R71 WeakPolarHBondContact O-CB 3.48Å; D67-R71 PolarHBondContact O-N 2.95Å
68	S	97.6	Very high	97	Very high	12 Å²	12	70 Å²	70	8%	0.084	38%	0.376	C	S	.	.	H	α-helix	trans	-58	-44.4	175.7	-69.2	0	0	0	0	112.7	E64 D66 L72	E64-S68 VanDerWaalsContact O-CB 3.23Å; E64-S68 WeakPolarHBondContact O-CB 3.2Å; E64-S68 PolarHBondContact O-N 3.39Å; E64-S68 VanDerWaalsContact O-N 3.15Å; E64-S68 PolarHBondContact O-OG 3.47Å; D66-S68 VanDerWaalsContact C-N 3.26Å; D66-S68 PolarHBondContact O-N 3.17Å; S68-L72 WeakPolarHBondContact O-CB 3.32Å; S68-L72 WeakPolarHBondContact O-CD1 3.34Å; S68-L72 WeakPolarHBondContact O-CG 3.39Å; S68-L72 PolarHBondContact O-N 3.1Å; S68-L72 VanDerWaalsContact O-N 3.1Å
69	I	97.5	Very high	96.9	Very high	32 Å²	32	71 Å²	71	16%	0.164	38%	0.38	C	S	.	.	H	α-helix	trans	-69	-44.7	178.9	-73.3	166.9	0	0	0	110.3	M34 I55 S65 D66 D67 R71 L72 A73	M34-I69 HydrophobicContact CE-CB 4.41Å; M34-I69 HydrophobicContact CE-CD1 3.82Å; M34-I69 HydrophobicContact CE-CG1 4.07Å; M34-I69 HydrophobicContact CE-CG2 3.45Å; M34-I69 VanDerWaalsContact CE-CG2 3.45Å; M34-I69 HydrophobicContact SD-CD1 4.02Å; I55-I69 HydrophobicContact CD1-CG1 4.33Å; I55-I69 HydrophobicContact CG1-CD1 4.42Å; I55-I69 HydrophobicContact CG1-CG1 4.24Å; S65-I69 WeakPolarHBondContact O-CD1 3.27Å; S65-I69 VanDerWaalsContact O-CG1 3.29Å; S65-I69 WeakPolarHBondContact O-CG1 3.47Å; S65-I69 PolarHBondContact O-N 3.46Å; D66-I69 PolarHBondContact O-N 3.39Å; D67-I69 VanDerWaalsContact C-N 3.34Å; D67-I69 PolarHBondContact O-N 3.28Å; I69-R71 VanDerWaalsContact C-N 3.32Å; I69-R71 PolarHBondContact O-N 3.49Å; I69-L72 PolarHBondContact O-N 3.11Å; I69-A73 VanDerWaalsContact O-CB 3.29Å; I69-A73 WeakPolarHBondContact O-CB 3.43Å; I69-A73 PolarHBondContact O-N 3.15Å
70	L	97.4	Very high	96.8	Very high	46 Å²	46	73.7 Å²	73.7	24%	0.241	40%	0.401	C	S	.	.	H	α-helix	trans	-57.6	-47.1	178.1	177.4	61.7	0	0	0	111	D66 D67 A73 K74 V79 F83	D66-L70 PolarHBondContact O-N 2.71Å; D67-L70 PolarHBondContact O-N 3.43Å; L70-A73 PolarHBondContact O-N 2.89Å; L70-K74 HydrophobicContact CD1-CG 4.43Å; L70-K74 WeakPolarHBondContact O-CB 3.36Å; L70-K74 WeakPolarHBondContact O-CG 3.44Å; L70-K74 PolarHBondContact O-N 3.19Å; L70-V79 HydrophobicContact CD1-CG1 4.08Å; L70-V79 HydrophobicContact CD1-CG2 4.32Å; L70-F83 HydrophobicContact CD1-CD1 4.09Å; L70-F83 HydrophobicContact CD1-CE1 4.03Å; L70-F83 HydrophobicContact CD2-CD1 4.46Å; L70-F83 HydrophobicContact CD2-CE1 3.99Å
71	R	97.1	Very high	96.5	Very high	128 Å²	128	77.2 Å²	77.2	48%	0.483	42%	0.419	S	S	.	.	H	α-helix	trans	-62.6	-43.6	178	-172.7	-178.9	63.1	77.3	-0.1	112.1	D67 I69 A75	D67-R71 WeakPolarHBondContact O-CB 3.48Å; D67-R71 PolarHBondContact O-N 2.95Å; I69-R71 VanDerWaalsContact C-N 3.32Å; I69-R71 PolarHBondContact O-N 3.49Å; R71-A75 WeakPolarHBondContact O-CB 3.39Å; R71-A75 PolarHBondContact O-N 3.19Å
72	L	97.3	Very high	96.2	Very high	22 Å²	22	74.7 Å²	74.7	12%	0.115	42%	0.422	C	S	.	.	H	α-helix	trans	-63.2	-47.2	176.3	-72.5	168.6	0	0	0	111.2	Y53 I55 S68 I69 K74 A75 D76	Y53-L72 HydrophobicContact CD1-CB 4.12Å; Y53-L72 HydrophobicContact CD1-CD1 3.94Å; Y53-L72 HydrophobicContact CE1-CB 3.77Å; Y53-L72 HydrophobicContact CE1-CD1 4.43Å; Y53-L72 HydrophobicContact CG-CD1 4.42Å; I55-L72 HydrophobicContact CD1-CD1 4.36Å; S68-L72 WeakPolarHBondContact O-CB 3.32Å; S68-L72 WeakPolarHBondContact O-CD1 3.34Å; S68-L72 WeakPolarHBondContact O-CG 3.39Å; S68-L72 PolarHBondContact O-N 3.1Å; S68-L72 VanDerWaalsContact O-N 3.1Å; I69-L72 PolarHBondContact O-N 3.11Å; L72-K74 VanDerWaalsContact C-N 3.35Å; L72-K74 PolarHBondContact O-N 3.41Å; L72-A75 WeakPolarHBondContact O-CB 3.39Å; L72-A75 PolarHBondContact O-N 3.39Å; L72-A75 VanDerWaalsContact O-N 3.14Å; L72-D76 WeakPolarHBondContact O-CB 3.08Å; L72-D76 PolarHBondContact O-N 3.39Å
73	A	97.1	Very high	95.3	Very high	8 Å²	8	77.1 Å²	77.1	7%	0.066	43%	0.43	C	S	.	.	H	α-helix	trans	-64.9	-35.6	179.7	0	0	0	0	0	112.9	I69 L70 G77 I78 V79	I69-A73 VanDerWaalsContact O-CB 3.29Å; I69-A73 WeakPolarHBondContact O-CB 3.43Å; I69-A73 PolarHBondContact O-N 3.15Å; L70-A73 PolarHBondContact O-N 2.89Å; A73-G77 PolarHBondContact O-N 3.45Å; A73-I78 HydrophobicContact CB-CB 4.2Å; A73-I78 WeakPolarHBondContact O-CB 3.46Å; A73-I78 PolarHBondContact O-N 3.07Å; A73-V79 HydrophobicContact CB-CB 4.47Å; A73-V79 HydrophobicContact CB-CG2 3.8Å; A73-V79 PolarHBondContact O-N 3.32Å; A73-V79 VanDerWaalsContact O-N 3.13Å
74	K	96.8	Very high	95.2	Very high	54 Å²	54	78.1 Å²	78.1	24%	0.235	42%	0.422	C	S	.	.	H	α-helix	trans	-64.5	-44.5	170.6	-78.6	-174.1	-178.1	-173.4	0	111.8	L70 L72 D76 G77 V79 F83	L70-K74 HydrophobicContact CD1-CG 4.43Å; L70-K74 WeakPolarHBondContact O-CB 3.36Å; L70-K74 WeakPolarHBondContact O-CG 3.44Å; L70-K74 PolarHBondContact O-N 3.19Å; L72-K74 VanDerWaalsContact C-N 3.35Å; L72-K74 PolarHBondContact O-N 3.41Å; K74-D76 VanDerWaalsContact C-N 3.31Å; K74-D76 PolarHBondContact O-N 3.18Å; K74-G77 PolarHBondContact O-N 3.18Å; K74-G77 VanDerWaalsContact O-N 3.16Å; K74-V79 HydrophobicContact CG-CB 3.77Å; K74-V79 HydrophobicContact CG-CG1 3.71Å; K74-F83 VanDerWaalsContact NZ-C 3.31Å; K74-F83 PolarHBondContact NZ-O 2.71Å
75	A	95.7	Very high	95.1	Very high	83 Å²	83	77.1 Å²	77.1	69%	0.686	42%	0.42	S	S	*	.	H	α-helix	trans	-63.3	-39.2	179	0	0	0	0	0	112	R71 L72 G77	R71-A75 WeakPolarHBondContact O-CB 3.39Å; R71-A75 PolarHBondContact O-N 3.19Å; L72-A75 WeakPolarHBondContact O-CB 3.39Å; L72-A75 PolarHBondContact O-N 3.39Å; L72-A75 VanDerWaalsContact O-N 3.14Å; A75-G77 PolarHBondContact O-N 2.96Å
76	D	95.5	Very high	95	Very high	71 Å²	71	80.2 Å²	80.2	38%	0.38	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	4	177.3	-76.1	-49.5	0	0	0	113.6	K51 Y53 L72 K74 I78	K51-D76 WeakPolarHBondContact CE-OD1 3.29Å; K51-D76 WeakPolarHBondContact CE-OD2 3.35Å; K51-D76 IonicContact NZ-OD1 2.77Å; K51-D76 PolarHBondContact NZ-OD1 3.04Å; K51-D76 IonicContact NZ-OD2 3.36Å; K51-D76 PolarHBondContact NZ-OD2 2.77Å; Y53-D76 VanDerWaalsContact CE1-OD2 3.3Å; Y53-D76 WeakPolarHBondContact CE1-OD2 3.34Å; Y53-D76 WeakPolarHBondContact OH-CB 3.33Å; Y53-D76 PolarHBondContact OH-OD2 3.41Å; L72-D76 WeakPolarHBondContact O-CB 3.08Å; L72-D76 PolarHBondContact O-N 3.39Å; K74-D76 VanDerWaalsContact C-N 3.31Å; K74-D76 PolarHBondContact O-N 3.18Å; D76-I78 HydrophobicContact CB-CG1 4.39Å; D76-I78 PolarHBondContact O-N 2.93Å
77	G	94.6	Very high	94.8	Very high	61 Å²	61	77.6 Å²	77.6	63%	0.629	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	15	175	0	0	0	0	0	114.9	A73 K74 A75	A73-G77 PolarHBondContact O-N 3.45Å; K74-G77 PolarHBondContact O-N 3.18Å; K74-G77 VanDerWaalsContact O-N 3.16Å; A75-G77 PolarHBondContact O-N 2.96Å
78	I	95	Very high	94.6	Very high	76 Å²	76	76.9 Å²	76.9	39%	0.39	42%	0.419	S	S	.	.	S	Bend	trans	-76.7	-43.5	174.3	-58.4	178.9	0	0	0	109.9	V36 K51 Y53 A73 D76	V36-I78 HydrophobicContact CB-CD1 4.29Å; V36-I78 HydrophobicContact CG1-CD1 4.02Å; V36-I78 HydrophobicContact CG1-CG2 4.02Å; K51-I78 HydrophobicContact CB-CD1 3.88Å; K51-I78 HydrophobicContact CG-CD1 3.97Å; Y53-I78 HydrophobicContact CE2-CD1 4.44Å; Y53-I78 WeakPolarHBondContact OH-CD1 3.47Å; A73-I78 HydrophobicContact CB-CB 4.2Å; A73-I78 WeakPolarHBondContact O-CB 3.46Å; A73-I78 PolarHBondContact O-N 3.07Å; D76-I78 HydrophobicContact CB-CG1 4.39Å; D76-I78 PolarHBondContact O-N 2.93Å
79	V	96.4	Very high	94.5	Very high	42 Å²	42	81.3 Å²	81.3	26%	0.255	44%	0.441	S	S	.	.	S	Bend	trans	-98.2	138.5	172.7	177.1	0	0	0	0	108.6	L70 A73 K74 F83	L70-V79 HydrophobicContact CD1-CG1 4.08Å; L70-V79 HydrophobicContact CD1-CG2 4.32Å; A73-V79 HydrophobicContact CB-CB 4.47Å; A73-V79 HydrophobicContact CB-CG2 3.8Å; A73-V79 PolarHBondContact O-N 3.32Å; A73-V79 VanDerWaalsContact O-N 3.13Å; K74-V79 HydrophobicContact CG-CB 3.77Å; K74-V79 HydrophobicContact CG-CG1 3.71Å; V79-F83 HydrophobicContact CG1-CB 4.27Å; V79-F83 HydrophobicContact CG1-CD1 4.38Å
80	S	94.9	Very high	94.2	Very high	79 Å²	79	84.8 Å²	84.8	55%	0.552	46%	0.461	S	S	*	.			trans	-64.2	147.6	179.5	73.9	0	0	0	0	111.4	N82 F83	S80-N82 PolarHBondContact O-N 3.23Å; S80-F83 PolarHBondContact O-N 3.22Å
81	K	92.3	Very high	94	Very high	184 Å²	184	87.8 Å²	87.8	80%	0.8	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-16	179.1	-65.4	-177.1	-179.7	179.3	0	113.7	F83	K81-F83 VanDerWaalsContact C-N 3.27Å
82	N	90.4	Very high	93.7	Very high	163 Å²	163	84.4 Å²	84.4	87%	0.872	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	1	-176.7	-62.5	-5.9	0	0	0	112.7	S80	S80-N82 PolarHBondContact O-N 3.23Å
83	F	78.9	Confident	93.4	Very high	170 Å²	170	90.1 Å²	90.1	75%	0.746	51%	0.51	S	S	*	.			trans	-83.4	0	171	-175.9	-104.7	0	0	0	111.1	L70 K74 V79 S80 K81	L70-F83 HydrophobicContact CD1-CD1 4.09Å; L70-F83 HydrophobicContact CD1-CE1 4.03Å; L70-F83 HydrophobicContact CD2-CD1 4.46Å; L70-F83 HydrophobicContact CD2-CE1 3.99Å; K74-F83 VanDerWaalsContact NZ-C 3.31Å; K74-F83 PolarHBondContact NZ-O 2.71Å; V79-F83 HydrophobicContact CG1-CB 4.27Å; V79-F83 HydrophobicContact CG1-CD1 4.38Å; S80-F83 PolarHBondContact O-N 3.22Å; K81-F83 VanDerWaalsContact C-N 3.27Å

Retrieved 83 of 83 residues in 177.9 ms (Link to these results)

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