A0A096MMS9_PAPAN Loading...

C-C motif chemokine

AlphaFold DB , UniProt , Accession A0A096MMS9, Species PAPAN (Papio anubis, Olive baboon), Gene CCL28, Length 127 aa.

						>A0A096MMS9_PAPAN|A0A096MMS9|CCL28
MQQTGLAIMALAVCAALHASEAILPIASSCCTEVSHHISRRLLERVNMCRIQRADGDCDLAAVILHVKRRRICVSPHNHTVKQWMKVQAAKKNGKGNVCHRKKHHSKRNSNRAHQGKHETYGHKTPY
					

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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	55.8	Low	70.3	Confident	215 Å²	215	116.4 Å²	116.4	100%	1.059	63%	0.634	S	S	*	*				0	-36.3	0	-64.7	-64.4	-178.4	0	0	113.4	T4	M1-T4 PolarHBondContact O-OG1 3.14Å
2	Q	60.9	Low	70.7	Confident	175 Å²	175	111.3 Å²	111.3	82%	0.818	62%	0.619	S	S	*	*	H	α-helix	trans	-74.4	-36	-175.6	-74.7	171.6	-32.6	0	0	115.2	G5 L6	Q2-G5 PolarHBondContact O-N 3.34Å; Q2-L6 PolarHBondContact O-N 3.47Å
3	Q	60.8	Low	71	Confident	169 Å²	169	109 Å²	109	79%	0.79	61%	0.61	S	S	*	*	H	α-helix	trans	-69	-35.5	-177.3	-77.9	-177.7	-43.6	0	0	113.8	G5 L6 A7	Q3-G5 VanDerWaalsContact C-N 3.35Å; Q3-L6 PolarHBondContact O-N 3.11Å; Q3-A7 PolarHBondContact O-N 3.4Å; Q3-A7 VanDerWaalsContact O-N 3.11Å
4	T	65.8	Low	70.9	Confident	91 Å²	91	105.7 Å²	105.7	56%	0.558	60%	0.597	S	S	*	*	H	α-helix	trans	-66.6	-37.3	177.3	28.4	0	0	0	0	111.8	M1 A7 I8	M1-T4 PolarHBondContact O-OG1 3.14Å; T4-A7 PolarHBondContact O-N 2.98Å; T4-I8 WeakPolarHBondContact O-CD1 3.42Å; T4-I8 VanDerWaalsContact O-CG1 3.23Å; T4-I8 WeakPolarHBondContact O-CG1 3.29Å; T4-I8 PolarHBondContact O-N 3.31Å; T4-I8 VanDerWaalsContact O-N 3.13Å
5	G	70.9	Confident	70.7	Confident	36 Å²	36	102.7 Å²	102.7	37%	0.371	59%	0.591	S	S	.	*	H	α-helix	trans	-63	-44.7	174.4	0	0	0	0	0	112.5	Q2 Q3 A7 I8 M9	Q2-G5 PolarHBondContact O-N 3.34Å; Q3-G5 VanDerWaalsContact C-N 3.35Å; G5-A7 PolarHBondContact O-N 3.47Å; G5-I8 PolarHBondContact O-N 3.44Å; G5-M9 VanDerWaalsContact O-CG 3.29Å; G5-M9 WeakPolarHBondContact O-CG 3.23Å; G5-M9 PolarHBondContact O-N 3.13Å
6	L	73.4	Confident	70.1	Confident	125 Å²	125	100 Å²	100	65%	0.654	58%	0.584	S	S	*	*	H	α-helix	trans	-64.1	-40	178.4	-69.9	170.2	0	0	0	112.6	Q2 Q3 M9 A10	Q2-L6 PolarHBondContact O-N 3.47Å; Q3-L6 PolarHBondContact O-N 3.11Å; L6-M9 PolarHBondContact O-N 3.45Å; L6-A10 WeakPolarHBondContact O-CB 3.4Å; L6-A10 PolarHBondContact O-N 3.25Å
7	A	76.9	Confident	69.4	Low	52 Å²	52	100.7 Å²	100.7	43%	0.43	58%	0.584	S	S	.	*	H	α-helix	trans	-64	-40.5	176.8	0	0	0	0	0	112.1	Q3 T4 G5 A10 L11	Q3-A7 PolarHBondContact O-N 3.4Å; Q3-A7 VanDerWaalsContact O-N 3.11Å; T4-A7 PolarHBondContact O-N 2.98Å; G5-A7 PolarHBondContact O-N 3.47Å; A7-A10 PolarHBondContact O-N 3.5Å; A7-L11 WeakPolarHBondContact O-CB 3.42Å; A7-L11 WeakPolarHBondContact O-CG 3.37Å; A7-L11 PolarHBondContact O-N 2.88Å
8	I	78.8	Confident	68.5	Low	112 Å²	112	102.9 Å²	102.9	57%	0.574	59%	0.588	S	S	*	*	H	α-helix	trans	-65.5	-43.4	176.3	-66.8	165.5	0	0	0	110.5	T4 G5 L11 A12	T4-I8 WeakPolarHBondContact O-CD1 3.42Å; T4-I8 VanDerWaalsContact O-CG1 3.23Å; T4-I8 WeakPolarHBondContact O-CG1 3.29Å; T4-I8 PolarHBondContact O-N 3.31Å; T4-I8 VanDerWaalsContact O-N 3.13Å; G5-I8 PolarHBondContact O-N 3.44Å; I8-L11 PolarHBondContact O-N 2.95Å; I8-A12 WeakPolarHBondContact O-CB 3.31Å; I8-A12 PolarHBondContact O-N 3.35Å
9	M	75.3	Confident	67.7	Low	125 Å²	125	99.7 Å²	99.7	62%	0.616	58%	0.575	S	S	*	*	H	α-helix	trans	-64.3	-41.7	177	-67.1	-56.9	-69.7	0	0	112	G5 L6 A12 V13	G5-M9 VanDerWaalsContact O-CG 3.29Å; G5-M9 WeakPolarHBondContact O-CG 3.23Å; G5-M9 PolarHBondContact O-N 3.13Å; L6-M9 PolarHBondContact O-N 3.45Å; M9-A12 PolarHBondContact O-N 2.91Å; M9-V13 VanDerWaalsContact O-CG2 3.31Å; M9-V13 WeakPolarHBondContact O-CG2 3.44Å; M9-V13 PolarHBondContact O-N 3.38Å
10	A	77.8	Confident	66.9	Low	54 Å²	54	99.1 Å²	99.1	45%	0.446	58%	0.577	S	S	.	*	H	α-helix	trans	-63.7	-43.1	176.1	0	0	0	0	0	111.9	L6 A7 A12 V13 C14	L6-A10 WeakPolarHBondContact O-CB 3.4Å; L6-A10 PolarHBondContact O-N 3.25Å; A7-A10 PolarHBondContact O-N 3.5Å; A10-A12 PolarHBondContact O-N 2.78Å; A10-V13 PolarHBondContact O-N 3.36Å; A10-C14 WeakPolarHBondContact O-CB 3.39Å; A10-C14 PolarHBondContact O-N 3.26Å; A10-C14 PolarHBondContact O-SG 3.1Å
11	L	77.1	Confident	66.2	Low	126 Å²	126	102.7 Å²	102.7	66%	0.66	59%	0.588	S	S	*	*	H	α-helix	trans	-62.6	-41.4	175.3	-80.3	165.5	0	0	0	112.1	A7 I8 C14 A15	A7-L11 WeakPolarHBondContact O-CB 3.42Å; A7-L11 WeakPolarHBondContact O-CG 3.37Å; A7-L11 PolarHBondContact O-N 2.88Å; I8-L11 PolarHBondContact O-N 2.95Å; L11-C14 PolarHBondContact O-N 2.92Å; L11-A15 WeakPolarHBondContact O-CB 3.48Å; L11-A15 PolarHBondContact O-N 2.98Å
12	A	75.1	Confident	66.1	Low	55 Å²	55	96 Å²	96	46%	0.455	57%	0.568	S	S	.	*	H	α-helix	trans	-63.9	-43.2	176.8	0	0	0	0	0	112.1	I8 M9 A10 A15 A16	I8-A12 WeakPolarHBondContact O-CB 3.31Å; I8-A12 PolarHBondContact O-N 3.35Å; M9-A12 PolarHBondContact O-N 2.91Å; A10-A12 PolarHBondContact O-N 2.78Å; A12-A15 PolarHBondContact O-N 3.35Å; A12-A16 WeakPolarHBondContact O-CB 3.43Å; A12-A16 PolarHBondContact O-N 2.94Å
13	V	74.6	Confident	65.4	Low	82 Å²	82	93.7 Å²	93.7	50%	0.497	56%	0.559	S	S	.	*	H	α-helix	trans	-64	-44.4	175.6	171.2	0	0	0	0	111	M9 A10 A15 A16 L17	M9-V13 VanDerWaalsContact O-CG2 3.31Å; M9-V13 WeakPolarHBondContact O-CG2 3.44Å; M9-V13 PolarHBondContact O-N 3.38Å; A10-V13 PolarHBondContact O-N 3.36Å; V13-A15 VanDerWaalsContact C-N 3.35Å; V13-A15 PolarHBondContact O-N 3.37Å; V13-A16 PolarHBondContact O-N 3.41Å; V13-L17 HydrophobicContact CG1-CD1 3.74Å; V13-L17 HydrophobicContact CG1-CG 4.37Å; V13-L17 WeakPolarHBondContact O-CB 3.3Å; V13-L17 VanDerWaalsContact O-CG 3.3Å; V13-L17 WeakPolarHBondContact O-CG 3.43Å; V13-L17 PolarHBondContact O-N 3.32Å
14	C	68.9	Low	64.9	Low	63 Å²	63	93.6 Å²	93.6	43%	0.426	56%	0.563	S	S	.	*	H	α-helix	trans	-62.8	-38.9	176.4	-72.6	0	0	0	0	112.6	A10 L11 H18	A10-C14 WeakPolarHBondContact O-CB 3.39Å; A10-C14 PolarHBondContact O-N 3.26Å; A10-C14 PolarHBondContact O-SG 3.1Å; L11-C14 PolarHBondContact O-N 2.92Å; C14-H18 WeakPolarHBondContact O-CB 3.38Å; C14-H18 PolarHBondContact O-N 3.38Å; C14-H18 PolarHBondContact O-ND1 3.22Å
15	A	67.8	Low	64.1	Low	61 Å²	61	93.8 Å²	93.8	50%	0.504	57%	0.566	S	S	.	*	H	α-helix	trans	-67.8	-40.9	176.3	0	0	0	0	0	112	L11 A12 V13 H18 A19	L11-A15 WeakPolarHBondContact O-CB 3.48Å; L11-A15 PolarHBondContact O-N 2.98Å; A12-A15 PolarHBondContact O-N 3.35Å; V13-A15 VanDerWaalsContact C-N 3.35Å; V13-A15 PolarHBondContact O-N 3.37Å; A15-H18 PolarHBondContact O-N 2.91Å; A15-A19 WeakPolarHBondContact O-CB 3.47Å; A15-A19 PolarHBondContact O-N 2.94Å
16	A	61.3	Low	62.8	Low	59 Å²	59	100 Å²	100	49%	0.488	59%	0.589	S	S	.	*	H	α-helix	trans	-66.1	-39.9	176.3	0	0	0	0	0	112.7	A12 V13 A19 S20	A12-A16 WeakPolarHBondContact O-CB 3.43Å; A12-A16 PolarHBondContact O-N 2.94Å; V13-A16 PolarHBondContact O-N 3.41Å; A16-A19 PolarHBondContact O-N 3.45Å; A16-S20 PolarHBondContact O-N 3.47Å; A16-S20 VanDerWaalsContact O-N 3.15Å; A16-S20 PolarHBondContact O-OG 2.88Å
17	L	57.9	Low	61.5	Low	112 Å²	112	98 Å²	98	59%	0.586	59%	0.591	S	S	*	*	H	α-helix	trans	-65.8	-43.6	175.6	-73.7	167	0	0	0	111.5	V13 S20	V13-L17 HydrophobicContact CG1-CD1 3.74Å; V13-L17 HydrophobicContact CG1-CG 4.37Å; V13-L17 WeakPolarHBondContact O-CB 3.3Å; V13-L17 VanDerWaalsContact O-CG 3.3Å; V13-L17 WeakPolarHBondContact O-CG 3.43Å; V13-L17 PolarHBondContact O-N 3.32Å; L17-S20 WeakPolarHBondContact O-CB 3.38Å; L17-S20 PolarHBondContact O-N 2.97Å
18	H	54	Low	60.6	Low	141 Å²	141	98.6 Å²	98.6	65%	0.653	59%	0.592	S	S	*	*	H	α-helix	trans	-68.5	-33.1	176.3	-72.7	129	0	0	0	113.2	C14 A15 S20 E21	C14-H18 WeakPolarHBondContact O-CB 3.38Å; C14-H18 PolarHBondContact O-N 3.38Å; C14-H18 PolarHBondContact O-ND1 3.22Å; A15-H18 PolarHBondContact O-N 2.91Å; H18-S20 PolarHBondContact O-N 2.86Å; H18-E21 PolarHBondContact O-N 3.1Å
19	A	53.1	Low	60.3	Low	42 Å²	42	96.9 Å²	96.9	35%	0.347	59%	0.589	S	S	.	*	H	α-helix	trans	-66.7	-27.1	173.8	0	0	0	0	0	112.4	A15 A16 E21 A22 I23	A15-A19 WeakPolarHBondContact O-CB 3.47Å; A15-A19 PolarHBondContact O-N 2.94Å; A16-A19 PolarHBondContact O-N 3.45Å; A19-E21 VanDerWaalsContact C-N 3.26Å; A19-E21 PolarHBondContact O-N 3.21Å; A19-A22 PolarHBondContact O-N 2.96Å; A19-A22 VanDerWaalsContact O-N 3.08Å; A19-I23 HydrophobicContact CB-CD1 4.44Å; A19-I23 WeakPolarHBondContact O-CG1 3.37Å; A19-I23 PolarHBondContact O-N 3.04Å
20	S	51.4	Low	60.8	Low	87 Å²	87	93.1 Å²	93.1	61%	0.608	58%	0.575	S	S	*	*	H	α-helix	trans	-68.2	-22.9	179.8	-59.1	0	0	0	0	113.2	A16 L17 H18 A22	A16-S20 PolarHBondContact O-N 3.47Å; A16-S20 VanDerWaalsContact O-N 3.15Å; A16-S20 PolarHBondContact O-OG 2.88Å; L17-S20 WeakPolarHBondContact O-CB 3.38Å; L17-S20 PolarHBondContact O-N 2.97Å; H18-S20 PolarHBondContact O-N 2.86Å; S20-A22 VanDerWaalsContact C-N 3.35Å
21	E	52.1	Low	61.2	Low	175 Å²	175	90.8 Å²	90.8	82%	0.818	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-14.6	173	-62.4	-151.1	132.1	0	0	113.3	H18 A19	H18-E21 PolarHBondContact O-N 3.1Å; A19-E21 VanDerWaalsContact C-N 3.26Å; A19-E21 PolarHBondContact O-N 3.21Å
22	A	53.9	Low	61.7	Low	75 Å²	75	91.4 Å²	91.4	62%	0.62	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	-13.9	-175.3	0	0	0	0	0	114.3	A19 S20	A19-A22 PolarHBondContact O-N 2.96Å; A19-A22 VanDerWaalsContact O-N 3.08Å; S20-A22 VanDerWaalsContact C-N 3.35Å
23	I	47.1	Very low	62.3	Low	125 Å²	125	96.1 Å²	96.1	64%	0.641	58%	0.577	S	S	*	*	S	Bend	trans	-105.4	50.8	-177.8	-47.2	161.8	0	0	0	110.9	A19	A19-I23 HydrophobicContact CB-CD1 4.44Å; A19-I23 WeakPolarHBondContact O-CG1 3.37Å; A19-I23 PolarHBondContact O-N 3.04Å
24	L	50.2	Low	63.2	Low	168 Å²	168	93.1 Å²	93.1	88%	0.88	56%	0.559	S	S	*	*			trans	-145	74.1	155	-74.1	-176.6	0	0	0	111.8
25	P	48.9	Very low	64.3	Low	94 Å²	94	92.5 Å²	92.5	61%	0.61	56%	0.555	S	S	*	*			trans	-111.8	139.8	148.5	35.8	-24.2	0	0	0	109.4
26	I	43.4	Very low	65.5	Low	167 Å²	167	95.2 Å²	95.2	86%	0.856	56%	0.557	S	S	*	*	S	Bend	trans	104.6	6.6	159	-41.4	147.4	0	0	0	118.1
27	A	45.2	Very low	66.8	Low	84 Å²	84	100.3 Å²	100.3	69%	0.694	57%	0.571	S	S	*	*	S	Bend	trans	-84.7	121.2	145	0	0	0	0	0	105.8	S29	A27-S29 PolarHBondContact O-N 3.25Å
28	S	58.9	Low	68.5	Low	64 Å²	64	95.9 Å²	95.9	45%	0.448	55%	0.547	S	S	.	.			trans	-63.7	83.3	172.1	44.3	0	0	0	0	108.5	C30	S28-C30 VanDerWaalsContact C-N 3.35Å; S28-C30 PolarHBondContact O-N 3.4Å
29	S	72.9	Confident	70.3	Confident	75 Å²	75	92.3 Å²	92.3	52%	0.524	54%	0.538	S	S	.	.			trans	-59.2	100.6	178.3	36.5	0	0	0	0	106.4	A27 C31 R71	A27-S29 PolarHBondContact O-N 3.25Å; S29-C31 PolarHBondContact O-N 2.74Å; S29-R71 PolarHBondContact O-NH1 3.05Å; S29-R71 PolarHBondContact O-NH2 3.35Å; S29-R71 PolarHBondContact OG-NH1 2.95Å
30	C	84.5	Confident	72.1	Confident	46 Å²	46	98.4 Å²	98.4	31%	0.311	55%	0.552	S	S	.	*			trans	-55.6	142.1	179.7	-64.7	0	0	0	0	109.2	S28 T32 D57 C58	S28-C30 VanDerWaalsContact C-N 3.35Å; S28-C30 PolarHBondContact O-N 3.4Å; C30-T32 PolarHBondContact O-N 3.44Å; C30-D57 PolarHBondContact SG-O 3.37Å; C30-D57 VanDerWaalsContact SG-O 3.33Å; C30-C58 VanDerWaalsContact CA-SG 3.59Å; C30-C58 HydrophobicContact CB-CB 3.66Å; C30-C58 WeakPolarHBondContact CB-SG 3.17Å; C30-C58 VanDerWaalsContact SG-CA 3.51Å; C30-C58 WeakPolarHBondContact SG-CB 3.5Å; C30-C58 CovalentContact SG-SG 2.03Å; C30-C58 PolarHBondContact SG-SG 2.85Å
31	C	87.7	Confident	74	Confident	5 Å²	5	103.6 Å²	103.6	3%	0.034	56%	0.558	C	S	.	*			trans	-62.6	124.8	163.1	-63.9	0	0	0	0	108.2	S29 Q52 L60 A62 I64 R71 C73	S29-C31 PolarHBondContact O-N 2.74Å; C31-Q52 PolarHBondContact O-NE2 2.93Å; C31-L60 HydrophobicContact CB-CD2 4.35Å; C31-L60 WeakPolarHBondContact O-CD2 3.34Å; C31-A62 HydrophobicContact CB-CB 3.62Å; C31-A62 VanDerWaalsContact SG-CB 3.55Å; C31-I64 VanDerWaalsContact SG-CG1 3.5Å; C31-R71 PolarHBondContact SG-NH2 3.46Å; C31-C73 HydrophobicContact CB-CB 3.65Å; C31-C73 WeakPolarHBondContact CB-SG 3.27Å; C31-C73 WeakPolarHBondContact SG-CB 3.48Å; C31-C73 CovalentContact SG-SG 2.03Å; C31-C73 PolarHBondContact SG-SG 2.84Å
32	T	87.6	Confident	75.9	Confident	139 Å²	139	97.5 Å²	97.5	85%	0.853	53%	0.531	S	S	*	.	S	Bend	trans	-93.1	-24.4	170.1	51	0	0	0	0	111.5	C30	C30-T32 PolarHBondContact O-N 3.44Å
33	E	87.8	Confident	77.7	Confident	155 Å²	155	94 Å²	94	72%	0.724	50%	0.502	S	S	*	.	S	Bend	trans	-134.5	153.9	176	-168.6	-178.2	167	0	0	110.4	C73	E33-C73 WeakPolarHBondContact O-CB 3.24Å
34	V	92.9	Very high	79.7	Confident	19 Å²	19	95.3 Å²	95.3	12%	0.115	51%	0.505	C	S	.	.			trans	-128.4	138.6	176	-73	0	0	0	0	111.5	L60 A62 C73	V34-L60 HydrophobicContact CG1-CD2 3.88Å; V34-L60 HydrophobicContact CG1-CG 4.38Å; V34-A62 HydrophobicContact CG1-CB 3.61Å; V34-C73 HydrophobicContact CG1-CB 4.31Å
35	S	92.2	Very high	81.6	Confident	49 Å²	49	95.1 Å²	95.1	34%	0.343	49%	0.493	S	S	.	.	B	Isolated β-bridge	trans	-74.1	133.2	166.6	-178.2	0	0	0	0	110.5	H37 C73 V74 S75	S35-H37 PolarHBondContact OG-N 3.28Å; S35-H37 PolarHBondContact OG-O 3.39Å; S35-C73 PolarHBondContact N-O 2.98Å; S35-V74 WeakPolarHBondContact O-CG1 3.43Å; S35-S75 PolarHBondContact O-N 2.88Å
36	H	91.3	Very high	83.4	Confident	119 Å²	119	91.2 Å²	91.2	55%	0.551	47%	0.467	S	S	*	.	S	Bend	trans	-87.9	-15.7	171.8	-69.2	-87.4	0	0	0	112.9	N78	H36-N78 PolarHBondContact O-ND2 3.33Å
37	H	90.7	Very high	85.4	Confident	166 Å²	166	88.9 Å²	88.9	77%	0.769	46%	0.457	S	S	*	.			trans	-121.7	126	-176.9	-63.5	-79.6	0	0	0	110.9	S35	S35-H37 PolarHBondContact OG-N 3.28Å; S35-H37 PolarHBondContact OG-O 3.39Å
38	I	91.9	Very high	87.2	Confident	19 Å²	19	89.5 Å²	89.5	10%	0.097	45%	0.447	C	S	.	.			trans	-143.4	138.8	176	-168.9	157.7	0	0	0	110.7	L42 L43 L65 V74 V81	I38-L42 HydrophobicContact CD1-CD2 3.7Å; I38-L42 HydrophobicContact CD1-CG 4.28Å; I38-L42 HydrophobicContact CG1-CB 4.29Å; I38-L42 HydrophobicContact CG1-CD2 3.76Å; I38-L42 HydrophobicContact CG1-CG 4.37Å; I38-L43 HydrophobicContact CD1-CD2 3.67Å; I38-L43 HydrophobicContact CD1-CG 4.18Å; I38-L43 HydrophobicContact CG1-CD2 4.21Å; I38-L43 HydrophobicContact CG1-CG 4.19Å; I38-L43 HydrophobicContact CG2-CD1 4.23Å; I38-L65 HydrophobicContact CD1-CD1 3.52Å; I38-V74 HydrophobicContact CB-CG1 4.44Å; I38-V74 HydrophobicContact CD1-CG2 3.72Å; I38-V74 HydrophobicContact CG2-CG1 4.18Å; I38-V81 HydrophobicContact CG2-CG2 3.53Å
39	S	92.4	Very high	88.5	Confident	66 Å²	66	86.6 Å²	86.6	46%	0.462	43%	0.426	S	S	.	.			trans	-84.9	146.4	178.2	67.1	0	0	0	0	111.2	R41 L42 L43	S39-R41 PolarHBondContact O-N 3.01Å; S39-L42 WeakPolarHBondContact O-CB 3.45Å; S39-L42 PolarHBondContact O-N 3.28Å; S39-L42 VanDerWaalsContact O-N 3.1Å; S39-L42 WeakPolarHBondContact OG-CB 3.47Å; S39-L42 PolarHBondContact OG-N 3.07Å; S39-L43 PolarHBondContact O-N 3.04Å
40	R	91.1	Very high	89	Confident	170 Å²	170	88.2 Å²	88.2	64%	0.642	42%	0.421	S	S	*	.	H	α-helix	trans	-58.9	-37.6	174	-63.8	177.2	111	-176	4.4	111.9	L42 L43 E44 T80	R40-L42 PolarHBondContact O-N 2.84Å; R40-L43 WeakPolarHBondContact O-CB 3.34Å; R40-L43 PolarHBondContact O-N 3.41Å; R40-E44 WeakPolarHBondContact O-CG 3.33Å; R40-E44 PolarHBondContact O-N 2.93Å; R40-T80 HydrophobicContact CG-CG2 3.56Å
41	R	92.3	Very high	89.1	Confident	195 Å²	195	88.5 Å²	88.5	74%	0.736	42%	0.419	S	S	*	.	H	α-helix	trans	-58	-33.9	175.7	-63.4	-178.4	-176.5	175.4	0.9	112.9	S39	S39-R41 PolarHBondContact O-N 3.01Å
42	L	91.2	Very high	89	Confident	47 Å²	47	88.9 Å²	88.9	25%	0.246	42%	0.42	C	S	.	.	H	α-helix	trans	-73.2	-42.3	175.3	-178.6	60.6	0	0	0	111	I38 S39 R40 E44 R45 V67 I72	I38-L42 HydrophobicContact CD1-CD2 3.7Å; I38-L42 HydrophobicContact CD1-CG 4.28Å; I38-L42 HydrophobicContact CG1-CB 4.29Å; I38-L42 HydrophobicContact CG1-CD2 3.76Å; I38-L42 HydrophobicContact CG1-CG 4.37Å; S39-L42 WeakPolarHBondContact O-CB 3.45Å; S39-L42 PolarHBondContact O-N 3.28Å; S39-L42 VanDerWaalsContact O-N 3.1Å; S39-L42 WeakPolarHBondContact OG-CB 3.47Å; S39-L42 PolarHBondContact OG-N 3.07Å; R40-L42 PolarHBondContact O-N 2.84Å; L42-E44 VanDerWaalsContact C-N 3.29Å; L42-E44 PolarHBondContact O-N 3.08Å; L42-R45 PolarHBondContact O-N 3.15Å; L42-R45 VanDerWaalsContact O-N 3.07Å; L42-V67 HydrophobicContact CD1-CB 4.4Å; L42-V67 HydrophobicContact CD1-CG1 4.08Å; L42-V67 HydrophobicContact CD1-CG2 3.9Å; L42-V67 HydrophobicContact CG-CG2 4.43Å; L42-I72 HydrophobicContact CD1-CD1 4.04Å; L42-I72 HydrophobicContact CD2-CD1 3.53Å; L42-I72 HydrophobicContact CG-CD1 4.18Å
43	L	91.1	Very high	88.9	Confident	3 Å²	3	87 Å²	87	2%	0.016	40%	0.398	C	S	.	.	H	α-helix	trans	-63.3	-33	179.9	-66.2	175.2	0	0	0	113.2	I38 S39 R40 R45 V46 L65 T80 V81 W84	I38-L43 HydrophobicContact CD1-CD2 3.67Å; I38-L43 HydrophobicContact CD1-CG 4.18Å; I38-L43 HydrophobicContact CG1-CD2 4.21Å; I38-L43 HydrophobicContact CG1-CG 4.19Å; I38-L43 HydrophobicContact CG2-CD1 4.23Å; S39-L43 PolarHBondContact O-N 3.04Å; R40-L43 WeakPolarHBondContact O-CB 3.34Å; R40-L43 PolarHBondContact O-N 3.41Å; L43-R45 PolarHBondContact O-N 3.32Å; L43-V46 HydrophobicContact CD2-CG2 4.45Å; L43-V46 WeakPolarHBondContact O-CB 3.04Å; L43-V46 WeakPolarHBondContact O-CG2 2.99Å; L43-V46 PolarHBondContact O-N 3.31Å; L43-L65 HydrophobicContact CD2-CD1 3.44Å; L43-L65 VanDerWaalsContact CD2-CD1 3.44Å; L43-T80 HydrophobicContact CD1-CG2 3.87Å; L43-V81 HydrophobicContact CD2-CG2 4.36Å; L43-W84 HydrophobicContact CB-CB 4.44Å; L43-W84 HydrophobicContact CB-CD2 4.1Å; L43-W84 HydrophobicContact CB-CG 3.81Å; L43-W84 HydrophobicContact CD1-CB 3.73Å; L43-W84 HydrophobicContact CD1-CD2 4.48Å; L43-W84 HydrophobicContact CD1-CG 3.97Å; L43-W84 HydrophobicContact CD2-CD2 4.09Å; L43-W84 HydrophobicContact CD2-CE3 4.12Å; L43-W84 HydrophobicContact CD2-CG 4.39Å; L43-W84 HydrophobicContact CG-CD2 4.46Å; L43-W84 HydrophobicContact CG-CG 4.28Å; L43-W84 PolarHBondContact O-NE1 3.44Å
44	E	89.3	Confident	88.7	Confident	151 Å²	151	82.4 Å²	82.4	71%	0.706	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-24	174.2	-73.6	166	-170.9	0	0	113.3	R40 L42	R40-E44 WeakPolarHBondContact O-CG 3.33Å; R40-E44 PolarHBondContact O-N 2.93Å; L42-E44 VanDerWaalsContact C-N 3.29Å; L42-E44 PolarHBondContact O-N 3.08Å
45	R	89.8	Confident	87.8	Confident	164 Å²	164	86.9 Å²	86.9	62%	0.619	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	5.7	-178.2	-59.8	175.4	-177.6	-179.5	-1.1	113.4	L42 L43 N47 V67	L42-R45 PolarHBondContact O-N 3.15Å; L42-R45 VanDerWaalsContact O-N 3.07Å; L43-R45 PolarHBondContact O-N 3.32Å; R45-N47 PolarHBondContact O-N 3.42Å; R45-N47 PolarHBondContact O-OD1 3.32Å; R45-V67 HydrophobicContact CB-CG1 4.02Å
46	V	88.2	Confident	86.8	Confident	12 Å²	12	87.3 Å²	87.3	7%	0.073	42%	0.421	C	S	.	.			trans	-74.4	122.3	-178.3	175.7	0	0	0	0	109.5	L43 M48 C49 L65 V67 W84 V98	L43-V46 HydrophobicContact CD2-CG2 4.45Å; L43-V46 WeakPolarHBondContact O-CB 3.04Å; L43-V46 WeakPolarHBondContact O-CG2 2.99Å; L43-V46 PolarHBondContact O-N 3.31Å; V46-M48 VanDerWaalsContact CG1-O 3.26Å; V46-M48 WeakPolarHBondContact CG1-O 3.1Å; V46-C49 HydrophobicContact CG1-CB 4.47Å; V46-L65 HydrophobicContact CG1-CB 4.32Å; V46-L65 HydrophobicContact CG1-CD2 4.21Å; V46-L65 HydrophobicContact CG2-CB 4.12Å; V46-L65 HydrophobicContact CG2-CD1 4.19Å; V46-L65 HydrophobicContact CG2-CD2 4.41Å; V46-L65 HydrophobicContact CG2-CG 4.49Å; V46-V67 HydrophobicContact CB-CG2 4.48Å; V46-V67 HydrophobicContact CG2-CG2 3.74Å; V46-W84 HydrophobicContact CB-CH2 4.07Å; V46-W84 HydrophobicContact CB-CZ2 3.75Å; V46-W84 HydrophobicContact CG1-CH2 3.79Å; V46-W84 HydrophobicContact CG1-CZ2 3.96Å; V46-W84 HydrophobicContact CG2-CH2 4.41Å; V46-W84 HydrophobicContact CG2-CZ2 4.21Å; V46-V98 HydrophobicContact CG1-CG1 3.89Å
47	N	84.1	Confident	86.1	Confident	118 Å²	118	88.8 Å²	88.8	63%	0.631	43%	0.433	S	S	*	.			trans	-88.5	-34.9	179	-66.2	-0.5	0	0	0	111.5	R45 H66	R45-N47 PolarHBondContact O-N 3.42Å; R45-N47 PolarHBondContact O-OD1 3.32Å; N47-H66 PolarHBondContact N-O 3.16Å
48	M	82.9	Confident	85.7	Confident	98 Å²	98	81.3 Å²	81.3	48%	0.483	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	146.4	-176.7	173.1	172.5	66.9	0	0	110.6	V46 H66	V46-M48 VanDerWaalsContact CG1-O 3.26Å; V46-M48 WeakPolarHBondContact CG1-O 3.1Å; M48-H66 HydrophobicContact CB-CB 4.07Å; M48-H66 HydrophobicContact CE-CB 4.22Å; M48-H66 PolarHBondContact N-O 3.05Å; M48-H66 WeakPolarHBondContact O-CB 3.04Å; M48-H66 PolarHBondContact O-N 3.31Å
49	C	86.3	Confident	85.3	Confident	3 Å²	3	87.7 Å²	87.7	2%	0.02	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.5	178	163.7	0	0	0	0	111.4	V46 I64 L65 W84 V98 C99 H100	V46-C49 HydrophobicContact CG1-CB 4.47Å; C49-I64 CarbonylContact C-O 3.55Å; C49-I64 VanDerWaalsContact CA-O 3.27Å; C49-I64 WeakPolarHBondContact CA-O 3.46Å; C49-L65 HydrophobicContact CB-CD2 4.02Å; C49-W84 HydrophobicContact CB-CH2 4.13Å; C49-W84 HydrophobicContact CB-CZ3 4.49Å; C49-V98 WeakPolarHBondContact CA-O 3.2Å; C49-V98 HydrophobicContact CB-CG1 3.96Å; C49-V98 WeakPolarHBondContact CB-O 3.31Å; C49-V98 PolarHBondContact N-O 2.92Å; C49-C99 HydrophobicContact CB-CB 3.79Å; C49-C99 WeakPolarHBondContact CB-SG 3.49Å; C49-C99 WeakPolarHBondContact O-CA 3.49Å; C49-C99 VanDerWaalsContact SG-CA 3.54Å; C49-C99 WeakPolarHBondContact SG-CB 3.26Å; C49-C99 CovalentContact SG-SG 2.04Å; C49-C99 PolarHBondContact SG-SG 2.82Å; C49-H100 PolarHBondContact O-N 2.03Å
50	R	84.5	Confident	85.1	Confident	108 Å²	108	87.3 Å²	87.3	41%	0.408	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	136.6	175.3	178.2	179	175.5	178.4	-1.9	109.7	I64	R50-I64 HydrophobicContact CB-CB 4.28Å; R50-I64 PolarHBondContact N-O 3.13Å; R50-I64 PolarHBondContact O-N 2.82Å
51	I	86.3	Confident	85	Confident	52 Å²	52	81 Å²	81	27%	0.267	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123.1	172.7	-57.3	173.1	0	0	0	108.1	R53 M85	I51-R53 HydrophobicContact CG2-CG 4.32Å; I51-M85 HydrophobicContact CD1-CE 3.65Å; I51-M85 HydrophobicContact CG1-CE 4.14Å
52	Q	84.9	Confident	84.9	Confident	14 Å²	14	71.7 Å²	71.7	7%	0.065	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.3	169.2	-179.2	177.9	-56.5	0	0	107.9	C31 C58 L60 A62 I64	C31-Q52 PolarHBondContact O-NE2 2.93Å; Q52-C58 VanDerWaalsContact CD-SG 3.5Å; Q52-C58 HydrophobicContact CG-CB 3.77Å; Q52-L60 PolarHBondContact NE2-O 2.86Å; Q52-A62 WeakPolarHBondContact CA-O 3.43Å; Q52-A62 HydrophobicContact CB-CB 4.26Å; Q52-A62 WeakPolarHBondContact CB-O 3.46Å; Q52-A62 PolarHBondContact N-O 2.93Å; Q52-A62 PolarHBondContact O-N 3.49Å; Q52-I64 HydrophobicContact CB-CD1 4.21Å
53	R	84.9	Confident	84.9	Confident	100 Å²	100	69.7 Å²	69.7	38%	0.377	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-98.9	151.8	176.5	-65.3	-171.9	-67.8	-100.8	-2.5	109.4	I51 D55 H104	I51-R53 HydrophobicContact CG2-CG 4.32Å; R53-D55 HydrophobicContact CB-CB 4.4Å; R53-D55 VanDerWaalsContact CB-CG 3.43Å; R53-D55 WeakPolarHBondContact CB-OD1 3.49Å; R53-D55 WeakPolarHBondContact CB-OD2 3.39Å; R53-D55 VanDerWaalsContact CD-OD2 3.31Å; R53-D55 WeakPolarHBondContact CD-OD2 3.4Å; R53-D55 IonicContact CZ-OD2 3.62Å; R53-D55 IonicContact NE-OD2 2.68Å; R53-D55 PolarHBondContact NE-OD2 2.91Å; R53-D55 IonicContact NH2-OD2 3.69Å; R53-D55 PolarHBondContact O-N 2.83Å; R53-D55 VanDerWaalsContact O-N 3.16Å; R53-H104 PolarHBondContact NH2-CD2 2.68Å
54	A	84.9	Confident	84.9	Confident	57 Å²	57	69.9 Å²	69.9	47%	0.471	37%	0.366	S	S	.	.			trans	-85.7	52.4	172.9	0	0	0	0	0	110.7	C58 A61	A54-C58 VanDerWaalsContact CA-O 3.27Å; A54-C58 WeakPolarHBondContact CA-O 3.39Å; A54-A61 HydrophobicContact CB-CB 4.29Å
55	D	73.9	Confident	85	Confident	114 Å²	114	62.7 Å²	62.7	61%	0.61	33%	0.332	S	S	*	.	S	Bend	trans	-92.2	4.4	-174.1	-61.1	-23.6	0	0	0	112.7	R53	R53-D55 HydrophobicContact CB-CB 4.4Å; R53-D55 VanDerWaalsContact CB-CG 3.43Å; R53-D55 WeakPolarHBondContact CB-OD1 3.49Å; R53-D55 WeakPolarHBondContact CB-OD2 3.39Å; R53-D55 VanDerWaalsContact CD-OD2 3.31Å; R53-D55 WeakPolarHBondContact CD-OD2 3.4Å; R53-D55 IonicContact CZ-OD2 3.62Å; R53-D55 IonicContact NE-OD2 2.68Å; R53-D55 PolarHBondContact NE-OD2 2.91Å; R53-D55 IonicContact NH2-OD2 3.69Å; R53-D55 PolarHBondContact O-N 2.83Å; R53-D55 VanDerWaalsContact O-N 3.16Å
56	G	71.9	Confident	84.9	Confident	58 Å²	58	57.3 Å²	57.3	60%	0.598	31%	0.314	S	S	*	.	S	Bend	trans	111	-16.4	-178.2	0	0	0	0	0	115.5
57	D	76.4	Confident	84.9	Confident	149 Å²	149	57.4 Å²	57.4	80%	0.797	32%	0.315	S	S	*	.	S	Bend	trans	-78.5	-31.4	171.2	-72.2	-23.1	0	0	0	112.2	C30	C30-D57 PolarHBondContact SG-O 3.37Å; C30-D57 VanDerWaalsContact SG-O 3.33Å
58	C	81.4	Confident	84.9	Confident	10 Å²	10	60.4 Å²	60.4	7%	0.068	32%	0.322	C	S	.	.			trans	-140.8	138.5	173.1	-61.3	0	0	0	0	106.6	C30 Q52 A54 L60	C30-C58 VanDerWaalsContact CA-SG 3.59Å; C30-C58 HydrophobicContact CB-CB 3.66Å; C30-C58 WeakPolarHBondContact CB-SG 3.17Å; C30-C58 VanDerWaalsContact SG-CA 3.51Å; C30-C58 WeakPolarHBondContact SG-CB 3.5Å; C30-C58 CovalentContact SG-SG 2.03Å; C30-C58 PolarHBondContact SG-SG 2.85Å; Q52-C58 VanDerWaalsContact CD-SG 3.5Å; Q52-C58 HydrophobicContact CG-CB 3.77Å; A54-C58 VanDerWaalsContact CA-O 3.27Å; A54-C58 WeakPolarHBondContact CA-O 3.39Å; C58-L60 VanDerWaalsContact C-N 3.35Å
59	D	84.3	Confident	84.7	Confident	152 Å²	152	67.6 Å²	67.6	81%	0.813	34%	0.344	S	S	*	.	S	Bend	trans	-83.4	-14.7	-177.5	-55.9	-50.4	0	0	0	113.3
60	L	87.2	Confident	84.6	Confident	58 Å²	58	76.7 Å²	76.7	30%	0.304	38%	0.378	S	S	.	.	S	Bend	trans	-105.2	127	-178.9	-175.5	64.5	0	0	0	111.6	C31 V34 Q52 C58	C31-L60 HydrophobicContact CB-CD2 4.35Å; C31-L60 WeakPolarHBondContact O-CD2 3.34Å; V34-L60 HydrophobicContact CG1-CD2 3.88Å; V34-L60 HydrophobicContact CG1-CG 4.38Å; Q52-L60 PolarHBondContact NE2-O 2.86Å; C58-L60 VanDerWaalsContact C-N 3.35Å
61	A	89.2	Confident	84.8	Confident	37 Å²	37	75.7 Å²	75.7	31%	0.306	37%	0.374	S	S	.	.			trans	-76	125.3	169.7	0	0	0	0	0	110.3	A54 P76	A54-A61 HydrophobicContact CB-CB 4.29Å; A61-P76 HydrophobicContact CB-CG 3.99Å; A61-P76 VanDerWaalsContact O-CD 3.24Å; A61-P76 WeakPolarHBondContact O-CD 3.05Å
62	A	91.1	Very high	85	Confident	1 Å²	1	75.1 Å²	75.1	1%	0.008	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	149.2	-176.5	0	0	0	0	0	112.6	C31 V34 Q52	C31-A62 HydrophobicContact CB-CB 3.62Å; C31-A62 VanDerWaalsContact SG-CB 3.55Å; V34-A62 HydrophobicContact CG1-CB 3.61Å; Q52-A62 WeakPolarHBondContact CA-O 3.43Å; Q52-A62 HydrophobicContact CB-CB 4.26Å; Q52-A62 WeakPolarHBondContact CB-O 3.46Å; Q52-A62 PolarHBondContact N-O 2.93Å; Q52-A62 PolarHBondContact O-N 3.49Å
63	V	90.7	Very high	85.3	Confident	4 Å²	4	75.7 Å²	75.7	2%	0.024	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	115.7	164.8	-176.7	0	0	0	0	107.7	L65 V74 P76 V81 M85	V63-L65 HydrophobicContact CG1-CD2 3.73Å; V63-L65 HydrophobicContact CG1-CG 4.34Å; V63-V74 PolarHBondContact N-O 3.43Å; V63-V74 PolarHBondContact O-N 3.07Å; V63-P76 HydrophobicContact CG2-CB 4.3Å; V63-V81 HydrophobicContact CB-CG1 4.35Å; V63-V81 HydrophobicContact CG1-CG1 4.19Å; V63-V81 HydrophobicContact CG2-CG1 4.25Å; V63-M85 HydrophobicContact CG1-SD 4.44Å; V63-M85 HydrophobicContact CG2-SD 4.23Å
64	I	90.9	Very high	85.7	Confident	7 Å²	7	70.9 Å²	70.9	4%	0.036	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	118.9	177.6	-58.1	165.9	0	0	0	108.1	C31 C49 R50 Q52 H66 R71	C31-I64 VanDerWaalsContact SG-CG1 3.5Å; C49-I64 CarbonylContact C-O 3.55Å; C49-I64 VanDerWaalsContact CA-O 3.27Å; C49-I64 WeakPolarHBondContact CA-O 3.46Å; R50-I64 HydrophobicContact CB-CB 4.28Å; R50-I64 PolarHBondContact N-O 3.13Å; R50-I64 PolarHBondContact O-N 2.82Å; Q52-I64 HydrophobicContact CB-CD1 4.21Å; I64-H66 WeakPolarHBondContact CG2-NE2 3.41Å; I64-R71 HydrophobicContact CG2-CG 3.61Å; I64-R71 VanDerWaalsContact CG2-NE 3.31Å
65	L	91.1	Very high	86.1	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.1	176.3	-54.1	179	0	0	0	109.8	I38 L43 V46 C49 V63 I72 V74 W84	I38-L65 HydrophobicContact CD1-CD1 3.52Å; L43-L65 HydrophobicContact CD2-CD1 3.44Å; L43-L65 VanDerWaalsContact CD2-CD1 3.44Å; V46-L65 HydrophobicContact CG1-CB 4.32Å; V46-L65 HydrophobicContact CG1-CD2 4.21Å; V46-L65 HydrophobicContact CG2-CB 4.12Å; V46-L65 HydrophobicContact CG2-CD1 4.19Å; V46-L65 HydrophobicContact CG2-CD2 4.41Å; V46-L65 HydrophobicContact CG2-CG 4.49Å; C49-L65 HydrophobicContact CB-CD2 4.02Å; V63-L65 HydrophobicContact CG1-CD2 3.73Å; V63-L65 HydrophobicContact CG1-CG 4.34Å; L65-I72 HydrophobicContact CB-CB 4.45Å; L65-I72 PolarHBondContact N-O 3.21Å; L65-I72 PolarHBondContact O-N 3.34Å; L65-V74 HydrophobicContact CD1-CG2 3.7Å; L65-V74 HydrophobicContact CG-CG2 4.17Å; L65-W84 HydrophobicContact CD2-CH2 3.95Å; L65-W84 HydrophobicContact CD2-CZ3 3.72Å
66	H	88.8	Confident	86.8	Confident	52 Å²	52	65.1 Å²	65.1	24%	0.241	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.9	173.7	-65.3	-97.4	0	0	0	109.2	N47 M48 I64 R70	N47-H66 PolarHBondContact N-O 3.16Å; M48-H66 HydrophobicContact CB-CB 4.07Å; M48-H66 HydrophobicContact CE-CB 4.22Å; M48-H66 PolarHBondContact N-O 3.05Å; M48-H66 WeakPolarHBondContact O-CB 3.04Å; M48-H66 PolarHBondContact O-N 3.31Å; I64-H66 WeakPolarHBondContact CG2-NE2 3.41Å; H66-R70 WeakPolarHBondContact CA-O 3.39Å
67	V	87.7	Confident	87.6	Confident	14 Å²	14	70.1 Å²	70.1	9%	0.085	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	107.6	177.6	-179	0	0	0	0	107.5	L42 R45 V46 R69 R70 I72	L42-V67 HydrophobicContact CD1-CB 4.4Å; L42-V67 HydrophobicContact CD1-CG1 4.08Å; L42-V67 HydrophobicContact CD1-CG2 3.9Å; L42-V67 HydrophobicContact CG-CG2 4.43Å; R45-V67 HydrophobicContact CB-CG1 4.02Å; V46-V67 HydrophobicContact CB-CG2 4.48Å; V46-V67 HydrophobicContact CG2-CG2 3.74Å; V67-R69 PolarHBondContact O-N 3.38Å; V67-R69 VanDerWaalsContact O-N 3.1Å; V67-R70 PolarHBondContact N-O 3.3Å; V67-R70 PolarHBondContact O-N 3.4Å; V67-I72 HydrophobicContact CG2-CD1 4.26Å
68	K	83.1	Confident	88.4	Confident	180 Å²	180	63.7 Å²	63.7	78%	0.783	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	-113.9	-172.3	-55.9	-175.2	176.7	-173	0	110.9
69	R	78.6	Confident	88.8	Confident	250 Å²	250	69.4 Å²	69.4	94%	0.943	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	2	177.3	-63	-170.1	179.7	172.3	0.2	113.9	V67	V67-R69 PolarHBondContact O-N 3.38Å; V67-R69 VanDerWaalsContact O-N 3.1Å
70	R	84.6	Confident	89.2	Confident	194 Å²	194	63 Å²	63	73%	0.732	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.7	-177.6	-62.6	-171.9	-177.8	-170.2	0.2	111	H66 V67	H66-R70 WeakPolarHBondContact CA-O 3.39Å; V67-R70 PolarHBondContact N-O 3.3Å; V67-R70 PolarHBondContact O-N 3.4Å
71	R	88.1	Confident	89.4	Confident	87 Å²	87	60.3 Å²	60.3	33%	0.328	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	131.6	169.2	-177	-174.2	169.3	-154.2	-3.2	108.9	S29 C31 I64	S29-R71 PolarHBondContact O-NH1 3.05Å; S29-R71 PolarHBondContact O-NH2 3.35Å; S29-R71 PolarHBondContact OG-NH1 2.95Å; C31-R71 PolarHBondContact SG-NH2 3.46Å; I64-R71 HydrophobicContact CG2-CG 3.61Å; I64-R71 VanDerWaalsContact CG2-NE 3.31Å
72	I	91.3	Very high	89.5	Confident	40 Å²	40	63.1 Å²	63.1	21%	0.205	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	122.1	-178.9	-53.3	176.5	0	0	0	108.3	L42 L65 V67 V74	L42-I72 HydrophobicContact CD1-CD1 4.04Å; L42-I72 HydrophobicContact CD2-CD1 3.53Å; L42-I72 HydrophobicContact CG-CD1 4.18Å; L65-I72 HydrophobicContact CB-CB 4.45Å; L65-I72 PolarHBondContact N-O 3.21Å; L65-I72 PolarHBondContact O-N 3.34Å; V67-I72 HydrophobicContact CG2-CD1 4.26Å; I72-V74 HydrophobicContact CG2-CG2 3.88Å
73	C	92.2	Very high	89.4	Confident	25 Å²	25	67.9 Å²	67.9	17%	0.169	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.8	173.4	-68.2	0	0	0	0	109.2	C31 E33 V34 S35	C31-C73 HydrophobicContact CB-CB 3.65Å; C31-C73 WeakPolarHBondContact CB-SG 3.27Å; C31-C73 WeakPolarHBondContact SG-CB 3.48Å; C31-C73 CovalentContact SG-SG 2.03Å; C31-C73 PolarHBondContact SG-SG 2.84Å; E33-C73 WeakPolarHBondContact O-CB 3.24Å; V34-C73 HydrophobicContact CG1-CB 4.31Å; S35-C73 PolarHBondContact N-O 2.98Å
74	V	93.5	Very high	89.4	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144	-177.1	-166.4	0	0	0	0	110.1	S35 I38 V63 L65 I72 N78 V81	S35-V74 WeakPolarHBondContact O-CG1 3.43Å; I38-V74 HydrophobicContact CB-CG1 4.44Å; I38-V74 HydrophobicContact CD1-CG2 3.72Å; I38-V74 HydrophobicContact CG2-CG1 4.18Å; V63-V74 PolarHBondContact N-O 3.43Å; V63-V74 PolarHBondContact O-N 3.07Å; L65-V74 HydrophobicContact CD1-CG2 3.7Å; L65-V74 HydrophobicContact CG-CG2 4.17Å; I72-V74 HydrophobicContact CG2-CG2 3.88Å; V74-N78 HydrophobicContact CG1-CB 4.39Å; V74-V81 HydrophobicContact CB-CG2 4.25Å; V74-V81 HydrophobicContact CG1-CG2 3.5Å
75	S	91.9	Very high	89.3	Confident	6 Å²	6	70.8 Å²	70.8	4%	0.042	31%	0.313	C	S	.	.			trans	-63.6	131.3	178.6	-179.7	0	0	0	0	110.1	S35 H77 N78	S35-S75 PolarHBondContact O-N 2.88Å; S75-H77 PolarHBondContact O-N 2.84Å; S75-H77 VanDerWaalsContact O-N 3.16Å; S75-H77 PolarHBondContact OG-N 3.44Å; S75-N78 WeakPolarHBondContact O-CB 3.38Å; S75-N78 PolarHBondContact O-N 3.29Å; S75-N78 VanDerWaalsContact O-N 3.13Å
76	P	88.7	Confident	89	Confident	43 Å²	43	77.8 Å²	77.8	28%	0.279	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-16.2	175.9	27.8	-34.4	0	0	0	112.6	A61 V63 N78	A61-P76 HydrophobicContact CB-CG 3.99Å; A61-P76 VanDerWaalsContact O-CD 3.24Å; A61-P76 WeakPolarHBondContact O-CD 3.05Å; V63-P76 HydrophobicContact CG2-CB 4.3Å; P76-N78 VanDerWaalsContact C-N 3.34Å
77	H	89.4	Confident	88.9	Confident	164 Å²	164	79 Å²	79	76%	0.759	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-7.5	177.6	-59.8	-73.5	0	0	0	113.5	S75 H79	S75-H77 PolarHBondContact O-N 2.84Å; S75-H77 VanDerWaalsContact O-N 3.16Å; S75-H77 PolarHBondContact OG-N 3.44Å; H77-H79 PolarHBondContact O-N 2.64Å
78	N	91.9	Very high	88.6	Confident	13 Å²	13	79.9 Å²	79.9	7%	0.07	36%	0.358	C	S	.	.			trans	-67.9	123.2	177.3	179.2	-74.8	0	0	0	111.1	H36 V74 S75 P76 T80 V81 K82	H36-N78 PolarHBondContact O-ND2 3.33Å; V74-N78 HydrophobicContact CG1-CB 4.39Å; S75-N78 WeakPolarHBondContact O-CB 3.38Å; S75-N78 PolarHBondContact O-N 3.29Å; S75-N78 VanDerWaalsContact O-N 3.13Å; P76-N78 VanDerWaalsContact C-N 3.34Å; N78-T80 VanDerWaalsContact C-N 3.34Å; N78-T80 PolarHBondContact O-N 2.78Å; N78-T80 WeakPolarHBondContact OD1-CA 3.49Å; N78-T80 WeakPolarHBondContact OD1-CB 3.49Å; N78-T80 PolarHBondContact OD1-N 3.03Å; N78-T80 PolarHBondContact OD1-OG1 2.81Å; N78-V81 HydrophobicContact CB-CB 4.38Å; N78-V81 HydrophobicContact CB-CG2 4.17Å; N78-V81 PolarHBondContact O-N 2.77Å; N78-V81 PolarHBondContact OD1-N 2.87Å; N78-K82 PolarHBondContact O-N 2.75Å
79	H	91.4	Very high	88.4	Confident	130 Å²	130	73.7 Å²	73.7	60%	0.602	34%	0.34	S	S	*	.	H	α-helix	trans	-64.3	-36.4	-176.9	67.4	-87.9	0	0	0	112.9	H77 K82 Q83	H77-H79 PolarHBondContact O-N 2.64Å; H79-K82 PolarHBondContact O-N 2.04Å; H79-Q83 WeakPolarHBondContact O-CG 2.98Å; H79-Q83 PolarHBondContact O-N 3.43Å
80	T	92.3	Very high	88.3	Confident	18 Å²	18	65.8 Å²	65.8	11%	0.11	33%	0.328	C	S	.	.	H	α-helix	trans	-64.8	-44.2	179.8	-42.3	0	0	0	0	110.7	R40 L43 N78 Q83 W84	R40-T80 HydrophobicContact CG-CG2 3.56Å; L43-T80 HydrophobicContact CD1-CG2 3.87Å; N78-T80 VanDerWaalsContact C-N 3.34Å; N78-T80 PolarHBondContact O-N 2.78Å; N78-T80 WeakPolarHBondContact OD1-CA 3.49Å; N78-T80 WeakPolarHBondContact OD1-CB 3.49Å; N78-T80 PolarHBondContact OD1-N 3.03Å; N78-T80 PolarHBondContact OD1-OG1 2.81Å; T80-Q83 PolarHBondContact O-N 3.47Å; T80-W84 WeakPolarHBondContact O-CB 3.31Å; T80-W84 PolarHBondContact O-N 3.32Å
81	V	91.6	Very high	87.8	Confident	1 Å²	1	63 Å²	63	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-63.6	-46.3	174.3	177.2	0	0	0	0	110.9	I38 L43 V63 V74 N78 Q83 W84 M85	I38-V81 HydrophobicContact CG2-CG2 3.53Å; L43-V81 HydrophobicContact CD2-CG2 4.36Å; V63-V81 HydrophobicContact CB-CG1 4.35Å; V63-V81 HydrophobicContact CG1-CG1 4.19Å; V63-V81 HydrophobicContact CG2-CG1 4.25Å; V74-V81 HydrophobicContact CB-CG2 4.25Å; V74-V81 HydrophobicContact CG1-CG2 3.5Å; N78-V81 HydrophobicContact CB-CB 4.38Å; N78-V81 HydrophobicContact CB-CG2 4.17Å; N78-V81 PolarHBondContact O-N 2.77Å; N78-V81 PolarHBondContact OD1-N 2.87Å; V81-Q83 VanDerWaalsContact C-N 3.31Å; V81-Q83 PolarHBondContact O-N 3.13Å; V81-W84 PolarHBondContact O-N 3.18Å; V81-M85 HydrophobicContact CG1-CG 4.13Å; V81-M85 HydrophobicContact CG1-SD 3.85Å; V81-M85 WeakPolarHBondContact O-CB 3.3Å; V81-M85 VanDerWaalsContact O-CG 3.3Å; V81-M85 WeakPolarHBondContact O-CG 3.04Å; V81-M85 PolarHBondContact O-N 2.79Å
82	K	89.9	Confident	86.5	Confident	97 Å²	97	66.5 Å²	66.5	42%	0.422	34%	0.339	S	S	.	.	H	α-helix	trans	-57.2	-44.5	179	-179.1	176.8	-79.4	-168.4	0	111.4	N78 H79 K86	N78-K82 PolarHBondContact O-N 2.75Å; H79-K82 PolarHBondContact O-N 2.04Å; K82-K86 WeakPolarHBondContact O-CG 3.42Å; K82-K86 PolarHBondContact O-N 2.9Å
83	Q	90.8	Very high	84.7	Confident	100 Å²	100	72.6 Å²	72.6	47%	0.467	37%	0.372	S	S	.	.	H	α-helix	trans	-64.8	-46.7	176.2	-74.4	178.8	-10.9	0	0	112.2	H79 T80 V81 M85 K86 V87	H79-Q83 WeakPolarHBondContact O-CG 2.98Å; H79-Q83 PolarHBondContact O-N 3.43Å; T80-Q83 PolarHBondContact O-N 3.47Å; V81-Q83 VanDerWaalsContact C-N 3.31Å; V81-Q83 PolarHBondContact O-N 3.13Å; Q83-M85 VanDerWaalsContact C-N 3.33Å; Q83-M85 PolarHBondContact O-N 3.42Å; Q83-K86 WeakPolarHBondContact O-CB 3.39Å; Q83-K86 PolarHBondContact O-N 3.46Å; Q83-V87 WeakPolarHBondContact O-CG2 3.47Å; Q83-V87 PolarHBondContact O-N 3.23Å; Q83-V87 VanDerWaalsContact O-N 3.07Å
84	W	90.8	Very high	83	Confident	24 Å²	24	75.1 Å²	75.1	9%	0.091	40%	0.402	C	S	.	.	H	α-helix	trans	-59.1	-44.1	177.7	170.8	81.4	0	0	0	111.8	L43 V46 C49 L65 T80 V81 K86 V87 Q88 V98	L43-W84 HydrophobicContact CB-CB 4.44Å; L43-W84 HydrophobicContact CB-CD2 4.1Å; L43-W84 HydrophobicContact CB-CG 3.81Å; L43-W84 HydrophobicContact CD1-CB 3.73Å; L43-W84 HydrophobicContact CD1-CD2 4.48Å; L43-W84 HydrophobicContact CD1-CG 3.97Å; L43-W84 HydrophobicContact CD2-CD2 4.09Å; L43-W84 HydrophobicContact CD2-CE3 4.12Å; L43-W84 HydrophobicContact CD2-CG 4.39Å; L43-W84 HydrophobicContact CG-CD2 4.46Å; L43-W84 HydrophobicContact CG-CG 4.28Å; L43-W84 PolarHBondContact O-NE1 3.44Å; V46-W84 HydrophobicContact CB-CH2 4.07Å; V46-W84 HydrophobicContact CB-CZ2 3.75Å; V46-W84 HydrophobicContact CG1-CH2 3.79Å; V46-W84 HydrophobicContact CG1-CZ2 3.96Å; V46-W84 HydrophobicContact CG2-CH2 4.41Å; V46-W84 HydrophobicContact CG2-CZ2 4.21Å; C49-W84 HydrophobicContact CB-CH2 4.13Å; C49-W84 HydrophobicContact CB-CZ3 4.49Å; L65-W84 HydrophobicContact CD2-CH2 3.95Å; L65-W84 HydrophobicContact CD2-CZ3 3.72Å; T80-W84 WeakPolarHBondContact O-CB 3.31Å; T80-W84 PolarHBondContact O-N 3.32Å; V81-W84 PolarHBondContact O-N 3.18Å; W84-K86 VanDerWaalsContact C-N 3.3Å; W84-K86 PolarHBondContact O-N 3.22Å; W84-V87 PolarHBondContact O-N 2.93Å; W84-V87 VanDerWaalsContact O-N 3.16Å; W84-Q88 HydrophobicContact CD2-CG 4.02Å; W84-Q88 HydrophobicContact CG-CG 4.35Å; W84-Q88 HydrophobicContact CH2-CG 4.49Å; W84-Q88 HydrophobicContact CZ2-CG 3.81Å; W84-Q88 VanDerWaalsContact O-CG 3.31Å; W84-Q88 WeakPolarHBondContact O-CG 3.47Å; W84-Q88 PolarHBondContact O-N 3.43Å; W84-V98 HydrophobicContact CH2-CB 4.48Å; W84-V98 HydrophobicContact CH2-CG1 3.95Å; W84-V98 HydrophobicContact CZ2-CG1 4.12Å
85	M	86.8	Confident	81.1	Confident	49 Å²	49	84.7 Å²	84.7	24%	0.241	44%	0.444	C	S	.	.	H	α-helix	trans	-59.4	-38.8	176.5	-72	177.8	69.8	0	0	112.6	I51 V63 V81 Q83 Q88 A89 C99	I51-M85 HydrophobicContact CD1-CE 3.65Å; I51-M85 HydrophobicContact CG1-CE 4.14Å; V63-M85 HydrophobicContact CG1-SD 4.44Å; V63-M85 HydrophobicContact CG2-SD 4.23Å; V81-M85 HydrophobicContact CG1-CG 4.13Å; V81-M85 HydrophobicContact CG1-SD 3.85Å; V81-M85 WeakPolarHBondContact O-CB 3.3Å; V81-M85 VanDerWaalsContact O-CG 3.3Å; V81-M85 WeakPolarHBondContact O-CG 3.04Å; V81-M85 PolarHBondContact O-N 2.79Å; Q83-M85 VanDerWaalsContact C-N 3.33Å; Q83-M85 PolarHBondContact O-N 3.42Å; M85-Q88 PolarHBondContact O-N 3.16Å; M85-A89 WeakPolarHBondContact O-CB 3.27Å; M85-A89 PolarHBondContact O-N 2.9Å; M85-C99 HydrophobicContact CE-CB 4.29Å
86	K	85.7	Confident	79.4	Confident	146 Å²	146	86.2 Å²	86.2	64%	0.635	46%	0.461	S	S	*	.	H	α-helix	trans	-63.6	-46.3	175.2	-71.1	176.1	178.7	-173.1	0	111.5	K82 Q83 W84 Q88 A89 A90	K82-K86 WeakPolarHBondContact O-CG 3.42Å; K82-K86 PolarHBondContact O-N 2.9Å; Q83-K86 WeakPolarHBondContact O-CB 3.39Å; Q83-K86 PolarHBondContact O-N 3.46Å; W84-K86 VanDerWaalsContact C-N 3.3Å; W84-K86 PolarHBondContact O-N 3.22Å; K86-Q88 VanDerWaalsContact C-N 3.32Å; K86-Q88 PolarHBondContact O-N 3.23Å; K86-A89 PolarHBondContact O-N 3.27Å; K86-A90 PolarHBondContact O-N 3.44Å; K86-A90 VanDerWaalsContact O-N 3.08Å
87	V	86.1	Confident	78.1	Confident	77 Å²	77	86.9 Å²	86.9	47%	0.467	46%	0.462	S	S	.	.	H	α-helix	trans	-60	-43.7	176.5	175.4	0	0	0	0	110.8	Q83 W84 A89 A90 K91	Q83-V87 WeakPolarHBondContact O-CG2 3.47Å; Q83-V87 PolarHBondContact O-N 3.23Å; Q83-V87 VanDerWaalsContact O-N 3.07Å; W84-V87 PolarHBondContact O-N 2.93Å; W84-V87 VanDerWaalsContact O-N 3.16Å; V87-A89 VanDerWaalsContact C-N 3.34Å; V87-A89 PolarHBondContact O-N 2.68Å; V87-A90 PolarHBondContact O-N 3.08Å; V87-K91 WeakPolarHBondContact O-CG 3.48Å; V87-K91 PolarHBondContact O-N 2.03Å
88	Q	82.1	Confident	77	Confident	34 Å²	34	80.5 Å²	80.5	16%	0.159	44%	0.435	C	S	.	.	H	α-helix	trans	-68.8	-31.1	178.7	-65	-59.3	97.7	0	0	113	W84 M85 K86	W84-Q88 HydrophobicContact CD2-CG 4.02Å; W84-Q88 HydrophobicContact CG-CG 4.35Å; W84-Q88 HydrophobicContact CH2-CG 4.49Å; W84-Q88 HydrophobicContact CZ2-CG 3.81Å; W84-Q88 VanDerWaalsContact O-CG 3.31Å; W84-Q88 WeakPolarHBondContact O-CG 3.47Å; W84-Q88 PolarHBondContact O-N 3.43Å; M85-Q88 PolarHBondContact O-N 3.16Å; K86-Q88 VanDerWaalsContact C-N 3.32Å; K86-Q88 PolarHBondContact O-N 3.23Å
89	A	78.6	Confident	76.2	Confident	50 Å²	50	80.4 Å²	80.4	41%	0.413	44%	0.435	S	S	.	.	H	α-helix	trans	-70	-32.5	174	0	0	0	0	0	112.6	M85 K86 V87	M85-A89 WeakPolarHBondContact O-CB 3.27Å; M85-A89 PolarHBondContact O-N 2.9Å; K86-A89 PolarHBondContact O-N 3.27Å; V87-A89 VanDerWaalsContact C-N 3.34Å; V87-A89 PolarHBondContact O-N 2.68Å
90	A	77.8	Confident	74.8	Confident	84 Å²	84	79.6 Å²	79.6	69%	0.694	43%	0.431	S	S	*	.	H	α-helix	trans	-72.7	-28.7	176.4	0	0	0	0	0	112.9	K86 V87 K92	K86-A90 PolarHBondContact O-N 3.44Å; K86-A90 VanDerWaalsContact O-N 3.08Å; V87-A90 PolarHBondContact O-N 3.08Å; A90-K92 PolarHBondContact O-N 3.33Å
91	K	72.9	Confident	73.1	Confident	134 Å²	134	87.1 Å²	87.1	58%	0.583	46%	0.458	S	S	*	.			trans	-72.9	29.8	178.3	-71.7	-179.1	179.9	-179.8	0	114.6	V87 N93	V87-K91 WeakPolarHBondContact O-CG 3.48Å; V87-K91 PolarHBondContact O-N 2.03Å; K91-N93 PolarHBondContact O-N 3.16Å
92	K	61.8	Low	71	Confident	162 Å²	162	94.3 Å²	94.3	70%	0.704	49%	0.489	S	S	*	.			trans	-66.4	11.4	-170.4	-144.7	-173.1	177.5	-165.1	0	115.5	A90 G94	A90-K92 PolarHBondContact O-N 3.33Å; K92-G94 PolarHBondContact O-N 3.42Å
93	N	53.1	Low	69	Low	167 Å²	167	98.6 Å²	98.6	89%	0.893	51%	0.507	S	S	*	.	S	Bend	trans	-74.9	62.5	-179.1	-76.5	-1	0	0	0	112.6	K91	K91-N93 PolarHBondContact O-N 3.16Å
94	G	54.9	Low	66.9	Low	79 Å²	79	99.7 Å²	99.7	81%	0.814	51%	0.512	S	S	*	.	S	Bend	trans	103.7	-20	161.8	0	0	0	0	0	117.3	K92	K92-G94 PolarHBondContact O-N 3.42Å
95	K	53.7	Low	64.7	Low	200 Å²	200	108.2 Å²	108.2	87%	0.87	55%	0.553	S	S	*	*	S	Bend	trans	-100.1	6.9	-174.6	-159.3	154.2	179.4	178.9	0	115.7
96	G	56.2	Low	63.1	Low	39 Å²	39	110.5 Å²	110.5	40%	0.402	57%	0.574	S	S	.	*			trans	68.4	158.8	-172.7	0	0	0	0	0	112.3
97	N	62.7	Low	61	Low	56 Å²	56	113.5 Å²	113.5	30%	0.299	59%	0.587	S	S	.	*			trans	-71.7	131.9	171.6	52.1	9.9	0	0	0	109.4	C99 H100	N97-C99 VanDerWaalsContact CG-O 3.25Å; N97-C99 CarbonylContact O-C 3.47Å; N97-C99 PolarHBondContact O-N 3.22Å; N97-C99 VanDerWaalsContact O-N 3.13Å; N97-C99 PolarHBondContact OD1-O 2.96Å; N97-H100 PolarHBondContact O-CE1 3.25Å; N97-H100 PolarHBondContact O-N 3.39Å; N97-H100 PolarHBondContact O-ND1 3.48Å; N97-H100 PolarHBondContact OD1-ND1 3.25Å
98	V	66.8	Low	59	Low	31 Å²	31	121.1 Å²	121.1	19%	0.188	61%	0.607	C	S	.	*	S	Bend	trans	-55.1	-35.6	-179.6	173.3	0	0	0	0	111.7	V46 C49 W84 H100	V46-V98 HydrophobicContact CG1-CG1 3.89Å; C49-V98 WeakPolarHBondContact CA-O 3.2Å; C49-V98 HydrophobicContact CB-CG1 3.96Å; C49-V98 WeakPolarHBondContact CB-O 3.31Å; C49-V98 PolarHBondContact N-O 2.92Å; W84-V98 HydrophobicContact CH2-CB 4.48Å; W84-V98 HydrophobicContact CH2-CG1 3.95Å; W84-V98 HydrophobicContact CZ2-CG1 4.12Å; V98-H100 PolarHBondContact O-N 3.04Å
99	C	73.3	Confident	57.6	Low	11 Å²	11	125.8 Å²	125.8	7%	0.074	63%	0.633	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.8	91.9	168.6	-61.1	0	0	0	0	109.4	C49 M85 N97 R101	C49-C99 HydrophobicContact CB-CB 3.79Å; C49-C99 WeakPolarHBondContact CB-SG 3.49Å; C49-C99 WeakPolarHBondContact O-CA 3.49Å; C49-C99 VanDerWaalsContact SG-CA 3.54Å; C49-C99 WeakPolarHBondContact SG-CB 3.26Å; C49-C99 CovalentContact SG-SG 2.04Å; C49-C99 PolarHBondContact SG-SG 2.82Å; M85-C99 HydrophobicContact CE-CB 4.29Å; N97-C99 VanDerWaalsContact CG-O 3.25Å; N97-C99 CarbonylContact O-C 3.47Å; N97-C99 PolarHBondContact O-N 3.22Å; N97-C99 VanDerWaalsContact O-N 3.13Å; N97-C99 PolarHBondContact OD1-O 2.96Å; C99-R101 PolarHBondContact O-N 3.37Å
100	H	62.8	Low	56.1	Low	112 Å²	112	128.8 Å²	128.8	52%	0.519	65%	0.651	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-65.9	104.5	170.3	-66.7	-50.3	0	0	0	108.6	C49 N97 V98 K102	C49-H100 PolarHBondContact O-N 2.03Å; N97-H100 PolarHBondContact O-CE1 3.25Å; N97-H100 PolarHBondContact O-N 3.39Å; N97-H100 PolarHBondContact O-ND1 3.48Å; N97-H100 PolarHBondContact OD1-ND1 3.25Å; V98-H100 PolarHBondContact O-N 3.04Å; H100-K102 VanDerWaalsContact C-N 3.26Å; H100-K102 PolarHBondContact O-N 3.25Å
101	R	57	Low	54.9	Low	177 Å²	177	131.9 Å²	131.9	67%	0.668	66%	0.656	S	S	*	*			trans	-68.1	94.9	163.4	-153.3	174	-165.4	159	5.3	104.4	C99 K103	C99-R101 PolarHBondContact O-N 3.37Å; R101-K103 PolarHBondContact O-N 2.82Å
102	K	48.1	Very low	53.3	Low	151 Å²	151	137 Å²	137	66%	0.657	67%	0.671	S	S	*	*			trans	-52.4	101.1	165.4	-87	-167.2	176.2	-171.8	0	105.9	H100 H104	H100-K102 VanDerWaalsContact C-N 3.26Å; H100-K102 PolarHBondContact O-N 3.25Å; K102-H104 PolarHBondContact O-N 3.08Å
103	K	46.5	Very low	52.3	Low	187 Å²	187	133.8 Å²	133.8	81%	0.813	68%	0.675	S	S	*	*			trans	-73.3	108.1	167.7	-131.1	-175.9	-177.9	-172.6	0	102.3	R101 H105	R101-K103 PolarHBondContact O-N 2.82Å; K103-H105 PolarHBondContact O-N 2.85Å
104	H	46.4	Very low	52.2	Low	123 Å²	123	135 Å²	135	57%	0.569	68%	0.675	S	S	*	*			trans	-59.6	130.4	167.2	-81.9	-106.8	0	0	0	106.5	R53 K102 S106	R53-H104 PolarHBondContact NH2-CD2 2.68Å; K102-H104 PolarHBondContact O-N 3.08Å; H104-S106 PolarHBondContact O-N 2.89Å
105	H	46.4	Very low	51.6	Low	204 Å²	204	140.2 Å²	140.2	94%	0.944	68%	0.678	S	S	*	*			trans	-68.8	71.3	166.3	-71.1	-92.6	0	0	0	107.8	K103	K103-H105 PolarHBondContact O-N 2.85Å
106	S	51.9	Low	51	Low	97 Å²	97	134.4 Å²	134.4	68%	0.678	68%	0.675	S	S	*	*			trans	-120.5	104.5	166.6	62.1	0	0	0	0	107.6	H104	H104-S106 PolarHBondContact O-N 2.89Å
107	K	42.7	Very low	50	Low	209 Å²	209	141.8 Å²	141.8	91%	0.909	70%	0.696	S	S	*	*			trans	96.1	105.4	159	-142	160.2	-175.1	173.9	0	117.6
108	R	43.4	Very low	48.6	Very low	236 Å²	236	146.9 Å²	146.9	89%	0.891	72%	0.718	S	S	*	*			trans	-59	135.2	164.2	-179.4	176.1	-176.2	171.5	0.1	110.9
109	N	53.3	Low	47.3	Very low	132 Å²	132	152.4 Å²	152.4	71%	0.706	74%	0.741	S	S	*	*			trans	51.7	119.8	154.9	-162.5	16.2	0	0	0	120.7
110	S	46.7	Very low	45.5	Very low	113 Å²	113	158.1 Å²	158.1	79%	0.79	78%	0.776	S	S	*	*				-159.2	119.5	127	58.7	0	0	0	0	110.4	R112	S110-R112 PolarHBondContact O-N 2.74Å
111	N	51.6	Low	44.3	Very low	149 Å²	149	163.3 Å²	163.3	80%	0.797	79%	0.793	S	S	*	*			trans	-51.6	119.7	167.6	-77.9	-20.1	0	0	0	111.8
112	R	39.8	Very low	43.1	Very low	242 Å²	242	158.6 Å²	158.6	91%	0.913	80%	0.799	S	S	*	*			trans	168.6	143.6	131.5	-102.8	177	173.5	166.9	-1.6	113.4	S110	S110-R112 PolarHBondContact O-N 2.74Å
113	A	40.6	Very low	42.6	Very low	94 Å²	94	160.2 Å²	160.2	78%	0.777	81%	0.808	S	S	*	*			trans	43.5	121.6	149.7	0	0	0	0	0	120	Q115	A113-Q115 PolarHBondContact O-N 3.28Å
114	H	52.2	Low	42.2	Very low	193 Å²	193	160.7 Å²	160.7	89%	0.894	81%	0.81	S	S	*	*			trans	-42.8	126	167.3	-74.4	-79.9	0	0	0	113.9
115	Q	41.3	Very low	41.4	Very low	188 Å²	188	160.6 Å²	160.6	88%	0.879	82%	0.819	S	S	*	*			trans	-135.4	127.6	138.9	-79.6	-168.5	-17.6	0	0	108.7	A113 K117	A113-Q115 PolarHBondContact O-N 3.28Å; Q115-K117 PolarHBondContact O-N 3.1Å
116	G	41.9	Very low	41.5	Very low	78 Å²	78	156 Å²	156	80%	0.804	81%	0.807	S	S	*	*			trans	-52.8	128.9	176.7	0	0	0	0	0	110	H118	G116-H118 PolarHBondContact O-N 3.26Å
117	K	34.7	Very low	40.8	Very low	194 Å²	194	165.9 Å²	165.9	84%	0.843	83%	0.831	S	S	*	*			trans	-67.6	101.9	-175.4	-156.6	-177.6	-171.9	-169.4	0	109.3	Q115 E119	Q115-K117 PolarHBondContact O-N 3.1Å; K117-E119 PolarHBondContact O-N 2.93Å
118	H	33.5	Very low	40.7	Very low	164 Å²	164	163.7 Å²	163.7	76%	0.759	83%	0.828	S	S	*	*			trans	-56	117	164.4	-159.2	173.9	0	0	0	107.5	G116 T120	G116-H118 PolarHBondContact O-N 3.26Å; H118-T120 PolarHBondContact O-N 3.33Å; H118-T120 VanDerWaalsContact O-N 3.1Å
119	E	38.6	Very low	40.6	Very low	147 Å²	147	159.9 Å²	159.9	69%	0.687	82%	0.824	S	S	*	*			trans	-69.8	100.3	167.4	-76	-175.1	128.8	0	0	106.6	K117 Y121	K117-E119 PolarHBondContact O-N 2.93Å; E119-Y121 PolarHBondContact O-N 3.48Å; E119-Y121 VanDerWaalsContact O-N 3.08Å
120	T	35.6	Very low	39.9	Very low	130 Å²	130	161.4 Å²	161.4	80%	0.798	83%	0.831	S	S	*	*			trans	-63.5	109.4	170.5	36.7	0	0	0	0	108.2	H118 G122	H118-T120 PolarHBondContact O-N 3.33Å; H118-T120 VanDerWaalsContact O-N 3.1Å; T120-G122 PolarHBondContact O-N 2.81Å
121	Y	37.4	Very low	39.5	Very low	222 Å²	222	164.3 Å²	164.3	87%	0.871	83%	0.833	S	S	*	*			trans	-57.3	118.5	166.9	-87.7	-101.6	0	0	0	108.1	E119 H123	E119-Y121 PolarHBondContact O-N 3.48Å; E119-Y121 VanDerWaalsContact O-N 3.08Å; Y121-H123 PolarHBondContact O-N 3.25Å
122	G	33.7	Very low	38.7	Very low	77 Å²	77	165.3 Å²	165.3	79%	0.794	84%	0.836	S	S	*	*			trans	-60.9	109.5	169.1	0	0	0	0	0	108.5	T120 K124	T120-G122 PolarHBondContact O-N 2.81Å; G122-K124 PolarHBondContact O-N 3.4Å
123	H	36.4	Very low	38.6	Very low	185 Å²	185	160.1 Å²	160.1	86%	0.856	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-56.9	120.6	172.6	-134.1	-30.5	0	0	0	108.1	Y121 T125	Y121-H123 PolarHBondContact O-N 3.25Å; H123-T125 PolarHBondContact O-N 3.34Å
124	K	37.5	Very low	38.5	Very low	197 Å²	197	164.9 Å²	164.9	86%	0.857	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-73	117.7	166.7	-139.5	179.3	-173.4	-169.8	0	106.8	G122	G122-K124 PolarHBondContact O-N 3.4Å
125	T	31.5	Very low	37.5	Very low	122 Å²	122	162.7 Å²	162.7	75%	0.748	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-64.3	135.5	172.8	-24.4	0	0	0	0	109.3	H123	H123-T125 PolarHBondContact O-N 3.34Å
126	P	48.1	Very low	37.1	Very low	108 Å²	108	160.6 Å²	160.6	70%	0.701	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-87	125.8	-178.9	33	-29.9	0	0	0	110.7
127	Y	36.8	Very low	36.7	Very low	303 Å²	303	168.1 Å²	168.1	100%	1.188	83%	0.828	S	S	*	*			trans	-133.9	0	139.8	-68.6	-74.6	0	0	0	106.7

Retrieved 127 of 127 residues in 20.4 ms (Link to these results)

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