A0A5K4F8U2_SCHMA Loading...

Heat shock 70 kDa protein 14

AlphaFold DB , UniProt , Accession A0A5K4F8U2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 91 aa.

						>A0A5K4F8U2_SCHMA|A0A5K4F8U2
MKQQVEGELKEKIPESDRQVIISKCEDTISWLDVHQSAEKHEYESKREELEKVCAPIITKVYQAGGMPGGMHEASGAGGGSGKGPTIEEVD
					

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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	M	83.9	Confident	88.4	Confident	82 Å²	82	93.2 Å²	93.2	40%	0.404	45%	0.454	S	S	.	.				0	-71.6	0	-163.8	52.7	64.8	0	0	112.7	Q3 Q4 V5 I21 I58	M1-Q3 VanDerWaalsContact C-N 3.33Å; M1-Q3 PolarHBondContact O-N 2.88Å; M1-Q4 WeakPolarHBondContact O-CB 3.44Å; M1-Q4 PolarHBondContact O-N 2.99Å; M1-V5 PolarHBondContact O-N 2.89Å; M1-V5 HydrophobicContact SD-CG1 4.28Å; M1-I21 HydrophobicContact CG-CG2 3.84Å; M1-I58 HydrophobicContact CE-CD1 3.37Å; M1-I58 HydrophobicContact SD-CD1 3.85Å
2	K	89.3	Confident	88.4	Confident	64 Å²	64	95.8 Å²	95.8	28%	0.278	46%	0.462	S	S	.	.	H	α-helix	trans	-45	-52.2	-179.5	179.1	169.2	174.7	171.6	0	113.7	Q4 V5 E6 I22 C25 E26	K2-Q4 VanDerWaalsContact C-N 3.28Å; K2-Q4 PolarHBondContact O-N 2.94Å; K2-V5 WeakPolarHBondContact O-CG2 3.21Å; K2-V5 PolarHBondContact O-N 3.13Å; K2-E6 WeakPolarHBondContact CE-OE1 3.26Å; K2-E6 PolarHBondContact O-N 3.07Å; K2-E6 VanDerWaalsContact O-N 3.1Å; K2-I22 HydrophobicContact CD-CG2 4.44Å; K2-I22 HydrophobicContact CG-CG1 4.43Å; K2-C25 HydrophobicContact CB-CB 4.25Å; K2-E26 IonicContact NZ-OE1 2.72Å; K2-E26 PolarHBondContact NZ-OE1 2.9Å
3	Q	92.5	Very high	88.4	Confident	168 Å²	168	88.8 Å²	88.8	79%	0.785	43%	0.428	S	S	*	.	H	α-helix	trans	-61.8	-30.6	178.7	-67.5	176.4	-18.2	0	0	114.3	M1 G7	M1-Q3 VanDerWaalsContact C-N 3.33Å; M1-Q3 PolarHBondContact O-N 2.88Å; Q3-G7 PolarHBondContact O-N 3.47Å
4	Q	89.1	Confident	88.7	Confident	103 Å²	103	87.6 Å²	87.6	48%	0.481	43%	0.43	S	S	.	.	H	α-helix	trans	-75.1	-36.4	179.3	-67	170.4	-61.7	0	0	111.6	M1 K2 G7 E8 L9	M1-Q4 WeakPolarHBondContact O-CB 3.44Å; M1-Q4 PolarHBondContact O-N 2.99Å; K2-Q4 VanDerWaalsContact C-N 3.28Å; K2-Q4 PolarHBondContact O-N 2.94Å; Q4-G7 CarbonylContact O-C 3.48Å; Q4-G7 PolarHBondContact O-N 2.86Å; Q4-E8 PolarHBondContact O-N 3.11Å; Q4-L9 HydrophobicContact CB-CD1 4.41Å; Q4-L9 WeakPolarHBondContact O-CB 3.28Å; Q4-L9 PolarHBondContact O-N 3.2Å
5	V	88.4	Confident	88.9	Confident	0 Å²	0	87.9 Å²	87.9	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-77.5	-25	178.4	-58.3	0	0	0	0	113.2	M1 K2 K10 I13 I21 I22	M1-V5 PolarHBondContact O-N 2.89Å; M1-V5 HydrophobicContact SD-CG1 4.28Å; K2-V5 WeakPolarHBondContact O-CG2 3.21Å; K2-V5 PolarHBondContact O-N 3.13Å; V5-K10 VanDerWaalsContact O-CA 3.28Å; V5-K10 WeakPolarHBondContact O-CA 3.41Å; V5-K10 PolarHBondContact O-N 2.96Å; V5-I13 HydrophobicContact CB-CD1 4.16Å; V5-I13 HydrophobicContact CG1-CD1 3.64Å; V5-I21 HydrophobicContact CG1-CD1 3.91Å; V5-I21 HydrophobicContact CG1-CG2 4.1Å; V5-I21 HydrophobicContact CG2-CB 4.47Å; V5-I21 HydrophobicContact CG2-CG2 3.92Å; V5-I22 HydrophobicContact CG2-CG1 4.24Å
6	E	90.2	Very high	89.2	Confident	93 Å²	93	87.2 Å²	87.2	44%	0.435	44%	0.437	S	S	.	.	H	α-helix	trans	-83.4	-18.6	171	-68.2	175	149	0	0	112.6	K2 I22	K2-E6 WeakPolarHBondContact CE-OE1 3.26Å; K2-E6 PolarHBondContact O-N 3.07Å; K2-E6 VanDerWaalsContact O-N 3.1Å; E6-I22 HydrophobicContact CG-CD1 3.91Å; E6-I22 HydrophobicContact CG-CG1 4.43Å
7	G	90.6	Very high	89.5	Confident	41 Å²	41	84.1 Å²	84.1	42%	0.423	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-112.6	179.8	0	0	0	0	0	113.1	Q3 Q4 L9 K10	Q3-G7 PolarHBondContact O-N 3.47Å; Q4-G7 CarbonylContact O-C 3.48Å; Q4-G7 PolarHBondContact O-N 2.86Å; G7-L9 VanDerWaalsContact C-N 3.26Å; G7-L9 PolarHBondContact O-N 2.95Å; G7-L9 VanDerWaalsContact O-N 3.15Å; G7-K10 WeakPolarHBondContact O-CB 3.37Å; G7-K10 PolarHBondContact O-N 3.01Å
8	E	87.3	Confident	89.7	Confident	153 Å²	153	81.8 Å²	81.8	72%	0.715	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-36.6	-170.7	-168.9	-167.9	130.8	0	0	114.5	Q4	Q4-E8 PolarHBondContact O-N 3.11Å
9	L	86.4	Confident	89.9	Confident	18 Å²	18	82.7 Å²	82.7	9%	0.094	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-0.9	-177	-54.6	-178.8	0	0	0	113.1	Q4 G7 E11 K12 I13	Q4-L9 HydrophobicContact CB-CD1 4.41Å; Q4-L9 WeakPolarHBondContact O-CB 3.28Å; Q4-L9 PolarHBondContact O-N 3.2Å; G7-L9 VanDerWaalsContact C-N 3.26Å; G7-L9 PolarHBondContact O-N 2.95Å; G7-L9 VanDerWaalsContact O-N 3.15Å; L9-E11 VanDerWaalsContact C-N 3.33Å; L9-E11 PolarHBondContact O-N 3.24Å; L9-K12 HydrophobicContact CD2-CD 4.14Å; L9-K12 PolarHBondContact O-N 3.43Å; L9-I13 HydrophobicContact CB-CD1 3.63Å; L9-I13 HydrophobicContact CB-CG1 4.3Å; L9-I13 HydrophobicContact CD1-CD1 4.24Å; L9-I13 PolarHBondContact O-N 2.94Å; L9-I13 VanDerWaalsContact O-N 3.12Å
10	K	87.6	Confident	90.2	Very high	109 Å²	109	82.3 Å²	82.3	47%	0.474	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-53.8	-49.8	-175.5	-176.1	177.5	179.4	175.2	0	111.3	V5 G7 K12 R18	V5-K10 VanDerWaalsContact O-CA 3.28Å; V5-K10 WeakPolarHBondContact O-CA 3.41Å; V5-K10 PolarHBondContact O-N 2.96Å; G7-K10 WeakPolarHBondContact O-CB 3.37Å; G7-K10 PolarHBondContact O-N 3.01Å; K10-K12 VanDerWaalsContact C-N 3.27Å; K10-K12 PolarHBondContact O-N 2.83Å; K10-R18 PolarHBondContact O-NH1 3.36Å
11	E	87.4	Confident	90.4	Very high	194 Å²	194	78.4 Å²	78.4	91%	0.907	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-74.8	-15.9	-178.5	-60.6	-174.4	163	0	0	113.7	L9	L9-E11 VanDerWaalsContact C-N 3.33Å; L9-E11 PolarHBondContact O-N 3.24Å
12	K	88.1	Confident	91	Very high	125 Å²	125	75.4 Å²	75.4	54%	0.543	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-94.2	-15.4	-176.7	-57.3	-179.6	179.6	173.8	0	113.8	L9 K10 V61	L9-K12 HydrophobicContact CD2-CD 4.14Å; L9-K12 PolarHBondContact O-N 3.43Å; K10-K12 VanDerWaalsContact C-N 3.27Å; K10-K12 PolarHBondContact O-N 2.83Å; K12-V61 HydrophobicContact CB-CG1 3.77Å; K12-V61 HydrophobicContact CD-CG1 4.27Å
13	I	89.1	Confident	91.3	Very high	4 Å²	4	75.1 Å²	75.1	2%	0.021	39%	0.385	C	S	.	.	S	Bend	trans	-112.8	134.4	-178.3	-63.2	165.8	0	0	0	108.9	V5 L9 D17 R18 I57 V61	V5-I13 HydrophobicContact CB-CD1 4.16Å; V5-I13 HydrophobicContact CG1-CD1 3.64Å; L9-I13 HydrophobicContact CB-CD1 3.63Å; L9-I13 HydrophobicContact CB-CG1 4.3Å; L9-I13 HydrophobicContact CD1-CD1 4.24Å; L9-I13 PolarHBondContact O-N 2.94Å; L9-I13 VanDerWaalsContact O-N 3.12Å; I13-D17 HydrophobicContact CG2-CB 3.5Å; I13-R18 HydrophobicContact CB-CG 3.88Å; I13-R18 HydrophobicContact CG2-CG 3.66Å; I13-R18 PolarHBondContact O-NH1 3.49Å; I13-I57 HydrophobicContact CG2-CG2 3.87Å; I13-V61 HydrophobicContact CB-CG2 4.33Å; I13-V61 HydrophobicContact CD1-CG2 4.04Å; I13-V61 HydrophobicContact CG1-CG2 3.2Å
14	P	91.3	Very high	91.5	Very high	72 Å²	72	68.5 Å²	68.5	47%	0.468	35%	0.353	S	S	.	.			trans	-56.6	146.1	171.6	-23.9	33.8	0	0	0	112.9	S16 D17 R18	P14-S16 PolarHBondContact O-N 3.34Å; P14-D17 HydrophobicContact CB-CB 4.47Å; P14-D17 PolarHBondContact O-N 3.04Å; P14-R18 PolarHBondContact O-N 2.92Å
15	E	92.4	Very high	91.9	Very high	93 Å²	93	64.2 Å²	64.2	44%	0.435	33%	0.334	S	S	.	.	H	α-helix	trans	-55.2	-39.3	179.7	176.5	59.1	-170.5	0	0	112.8	D17 R18 Q19	E15-D17 VanDerWaalsContact C-N 3.29Å; E15-D17 PolarHBondContact O-N 3.41Å; E15-R18 PolarHBondContact O-N 3.15Å; E15-R18 IonicContact OE2-CZ 3Å; E15-R18 IonicContact OE2-NE 2.76Å; E15-R18 PolarHBondContact OE2-NE 3Å; E15-R18 IonicContact OE2-NH2 2.58Å; E15-R18 PolarHBondContact OE2-NH2 3.3Å; E15-Q19 HydrophobicContact CG-CG 4.41Å; E15-Q19 WeakPolarHBondContact O-CG 3.41Å; E15-Q19 PolarHBondContact O-N 3.42Å; E15-Q19 WeakPolarHBondContact OE1-CG 3.44Å; E15-Q19 PolarHBondContact OE1-NE2 3.49Å
16	S	93.9	Very high	92.3	Very high	76 Å²	76	68.4 Å²	68.4	53%	0.531	35%	0.354	S	S	.	.	H	α-helix	trans	-57	-44	176	55.4	0	0	0	0	112.2	P14 Q19 V20	P14-S16 PolarHBondContact O-N 3.34Å; S16-Q19 PolarHBondContact O-N 2.67Å; S16-V20 VanDerWaalsContact O-CG2 3.32Å; S16-V20 WeakPolarHBondContact O-CG2 3.28Å; S16-V20 PolarHBondContact O-N 3.31Å; S16-V20 VanDerWaalsContact O-N 3.15Å
17	D	93.5	Very high	92.6	Very high	35 Å²	35	67.9 Å²	67.9	19%	0.187	35%	0.354	C	S	.	.	H	α-helix	trans	-72.9	-35.3	-178.9	-72.9	6.7	0	0	0	110.7	I13 P14 E15 V20 I21 I57	I13-D17 HydrophobicContact CG2-CB 3.5Å; P14-D17 HydrophobicContact CB-CB 4.47Å; P14-D17 PolarHBondContact O-N 3.04Å; E15-D17 VanDerWaalsContact C-N 3.29Å; E15-D17 PolarHBondContact O-N 3.41Å; D17-V20 PolarHBondContact O-N 3.13Å; D17-I21 WeakPolarHBondContact O-CG1 3.3Å; D17-I21 PolarHBondContact O-N 3.07Å; D17-I57 HydrophobicContact CB-CD1 4.11Å; D17-I57 HydrophobicContact CB-CG1 4.3Å; D17-I57 HydrophobicContact CB-CG2 3.86Å
18	R	92.8	Very high	93	Very high	42 Å²	42	66.5 Å²	66.5	16%	0.158	34%	0.338	C	S	.	.	H	α-helix	trans	-60	-49.1	172.7	-65.8	-171	-61.9	-109	13	111.2	K10 I13 P14 E15 V20 I21 I22	K10-R18 PolarHBondContact O-NH1 3.36Å; I13-R18 HydrophobicContact CB-CG 3.88Å; I13-R18 HydrophobicContact CG2-CG 3.66Å; I13-R18 PolarHBondContact O-NH1 3.49Å; P14-R18 PolarHBondContact O-N 2.92Å; E15-R18 PolarHBondContact O-N 3.15Å; E15-R18 IonicContact OE2-CZ 3Å; E15-R18 IonicContact OE2-NE 2.76Å; E15-R18 PolarHBondContact OE2-NE 3Å; E15-R18 IonicContact OE2-NH2 2.58Å; E15-R18 PolarHBondContact OE2-NH2 3.3Å; R18-V20 VanDerWaalsContact C-N 3.3Å; R18-V20 PolarHBondContact O-N 3.12Å; R18-I21 PolarHBondContact O-N 3.4Å; R18-I21 VanDerWaalsContact O-N 3.17Å; R18-I22 VanDerWaalsContact O-CG1 3.32Å; R18-I22 WeakPolarHBondContact O-CG1 3.48Å; R18-I22 PolarHBondContact O-N 2.65Å
19	Q	95.2	Very high	93.4	Very high	99 Å²	99	63.5 Å²	63.5	46%	0.463	33%	0.325	S	S	.	.	H	α-helix	trans	-59.9	-41.2	179.2	-70.5	-61.6	-28.9	0	0	111.8	E15 S16 I21 I22 S23	E15-Q19 HydrophobicContact CG-CG 4.41Å; E15-Q19 WeakPolarHBondContact O-CG 3.41Å; E15-Q19 PolarHBondContact O-N 3.42Å; E15-Q19 WeakPolarHBondContact OE1-CG 3.44Å; E15-Q19 PolarHBondContact OE1-NE2 3.49Å; S16-Q19 PolarHBondContact O-N 2.67Å; Q19-I21 PolarHBondContact O-N 3.07Å; Q19-I22 PolarHBondContact O-N 2.76Å; Q19-S23 WeakPolarHBondContact O-CB 3.14Å; Q19-S23 PolarHBondContact O-N 3Å
20	V	95.1	Very high	94	Very high	75 Å²	75	66.1 Å²	66.1	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-61	-44.5	175.2	169.7	0	0	0	0	111.8	S16 D17 R18 K24 V53 I57	S16-V20 VanDerWaalsContact O-CG2 3.32Å; S16-V20 WeakPolarHBondContact O-CG2 3.28Å; S16-V20 PolarHBondContact O-N 3.31Å; S16-V20 VanDerWaalsContact O-N 3.15Å; D17-V20 PolarHBondContact O-N 3.13Å; R18-V20 VanDerWaalsContact C-N 3.3Å; R18-V20 PolarHBondContact O-N 3.12Å; V20-K24 WeakPolarHBondContact O-CB 3.28Å; V20-K24 PolarHBondContact O-N 3.39Å; V20-V53 HydrophobicContact CG1-CG1 3.5Å; V20-I57 HydrophobicContact CG1-CD1 4.37Å
21	I	95.1	Very high	94.5	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-65.2	-44.1	177.8	-69.1	173.1	0	0	0	111.3	M1 V5 D17 R18 Q19 K24 C25 I57	M1-I21 HydrophobicContact CG-CG2 3.84Å; V5-I21 HydrophobicContact CG1-CD1 3.91Å; V5-I21 HydrophobicContact CG1-CG2 4.1Å; V5-I21 HydrophobicContact CG2-CB 4.47Å; V5-I21 HydrophobicContact CG2-CG2 3.92Å; D17-I21 WeakPolarHBondContact O-CG1 3.3Å; D17-I21 PolarHBondContact O-N 3.07Å; R18-I21 PolarHBondContact O-N 3.4Å; R18-I21 VanDerWaalsContact O-N 3.17Å; Q19-I21 PolarHBondContact O-N 3.07Å; I21-K24 PolarHBondContact O-N 3.19Å; I21-C25 WeakPolarHBondContact O-CB 3.43Å; I21-C25 PolarHBondContact O-N 2.91Å; I21-C25 PolarHBondContact O-SG 3.24Å; I21-I57 HydrophobicContact CD1-CB 4.05Å; I21-I57 HydrophobicContact CD1-CD1 3.83Å; I21-I57 HydrophobicContact CD1-CG2 3.69Å; I21-I57 HydrophobicContact CG1-CD1 3.61Å
22	I	95.1	Very high	95	Very high	20 Å²	20	57.3 Å²	57.3	10%	0.103	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-50.8	-178.9	-68.8	165.7	0	0	0	110	K2 V5 E6 R18 Q19 K24 C25 E26	K2-I22 HydrophobicContact CD-CG2 4.44Å; K2-I22 HydrophobicContact CG-CG1 4.43Å; V5-I22 HydrophobicContact CG2-CG1 4.24Å; E6-I22 HydrophobicContact CG-CD1 3.91Å; E6-I22 HydrophobicContact CG-CG1 4.43Å; R18-I22 VanDerWaalsContact O-CG1 3.32Å; R18-I22 WeakPolarHBondContact O-CG1 3.48Å; R18-I22 PolarHBondContact O-N 2.65Å; Q19-I22 PolarHBondContact O-N 2.76Å; I22-K24 VanDerWaalsContact C-N 3.3Å; I22-K24 PolarHBondContact O-N 3.11Å; I22-C25 WeakPolarHBondContact O-CB 3.1Å; I22-C25 PolarHBondContact O-N 3.4Å; I22-C25 VanDerWaalsContact O-N 3.13Å; I22-E26 WeakPolarHBondContact CG2-OE1 3.45Å; I22-E26 WeakPolarHBondContact O-CG 3.26Å; I22-E26 PolarHBondContact O-N 3.1Å
23	S	96.4	Very high	95.5	Very high	57 Å²	57	56.3 Å²	56.3	40%	0.399	31%	0.306	S	S	.	.	H	α-helix	trans	-56.7	-44.2	176.5	171	0	0	0	0	111.3	Q19 C25 E26 D27	Q19-S23 WeakPolarHBondContact O-CB 3.14Å; Q19-S23 PolarHBondContact O-N 3Å; S23-C25 VanDerWaalsContact C-N 3.34Å; S23-C25 PolarHBondContact O-N 2.92Å; S23-E26 PolarHBondContact O-N 3.22Å; S23-D27 PolarHBondContact O-N 2.58Å
24	K	97.2	Very high	95.9	Very high	30 Å²	30	61.5 Å²	61.5	13%	0.13	34%	0.338	C	S	.	.	H	α-helix	trans	-66.8	-34.9	178.9	-162.8	62.5	174.2	-178.2	0	113.4	V20 I21 I22 T28 E49 L50 V53	V20-K24 WeakPolarHBondContact O-CB 3.28Å; V20-K24 PolarHBondContact O-N 3.39Å; I21-K24 PolarHBondContact O-N 3.19Å; I22-K24 VanDerWaalsContact C-N 3.3Å; I22-K24 PolarHBondContact O-N 3.11Å; K24-T28 WeakPolarHBondContact O-CB 3.21Å; K24-T28 PolarHBondContact O-N 2.73Å; K24-T28 PolarHBondContact O-OG1 3.49Å; K24-E49 VanDerWaalsContact NZ-CD 3.27Å; K24-E49 IonicContact NZ-OE1 3.67Å; K24-E49 PolarHBondContact NZ-OE1 2.91Å; K24-L50 HydrophobicContact CB-CD1 4.13Å; K24-L50 HydrophobicContact CG-CD1 3.68Å; K24-V53 HydrophobicContact CB-CG1 4.28Å; K24-V53 HydrophobicContact CD-CG2 4.17Å; K24-V53 HydrophobicContact CG-CB 4.17Å; K24-V53 HydrophobicContact CG-CG1 4.36Å; K24-V53 HydrophobicContact CG-CG2 4.03Å
25	C	96.7	Very high	96.2	Very high	12 Å²	12	61.1 Å²	61.1	8%	0.081	33%	0.33	C	S	.	.	H	α-helix	trans	-64.8	-42.8	173.7	-69.7	0	0	0	0	110.9	K2 I21 I22 S23 T28 I29	K2-C25 HydrophobicContact CB-CB 4.25Å; I21-C25 WeakPolarHBondContact O-CB 3.43Å; I21-C25 PolarHBondContact O-N 2.91Å; I21-C25 PolarHBondContact O-SG 3.24Å; I22-C25 WeakPolarHBondContact O-CB 3.1Å; I22-C25 PolarHBondContact O-N 3.4Å; I22-C25 VanDerWaalsContact O-N 3.13Å; S23-C25 VanDerWaalsContact C-N 3.34Å; S23-C25 PolarHBondContact O-N 2.92Å; C25-T28 PolarHBondContact O-N 3.37Å; C25-I29 WeakPolarHBondContact O-CD1 3.46Å; C25-I29 VanDerWaalsContact O-CG1 3.27Å; C25-I29 WeakPolarHBondContact O-CG1 3.37Å; C25-I29 PolarHBondContact O-N 2.99Å
26	E	96.8	Very high	96.4	Very high	88 Å²	88	64 Å²	64	41%	0.411	34%	0.343	S	S	.	.	H	α-helix	trans	-65.2	-47	178.2	-72.2	171.5	179.8	0	0	111.7	K2 I22 S23 T28 I29 S30	K2-E26 IonicContact NZ-OE1 2.72Å; K2-E26 PolarHBondContact NZ-OE1 2.9Å; I22-E26 WeakPolarHBondContact CG2-OE1 3.45Å; I22-E26 WeakPolarHBondContact O-CG 3.26Å; I22-E26 PolarHBondContact O-N 3.1Å; S23-E26 PolarHBondContact O-N 3.22Å; E26-T28 PolarHBondContact O-N 2.96Å; E26-I29 PolarHBondContact O-N 3.19Å; E26-I29 VanDerWaalsContact O-N 3.15Å; E26-S30 PolarHBondContact O-N 3.23Å; E26-S30 PolarHBondContact O-OG 2.99Å
27	D	97.5	Very high	96.5	Very high	82 Å²	82	65.8 Å²	65.8	44%	0.439	36%	0.356	S	S	.	.	H	α-helix	trans	-56.4	-39.4	173.6	-71.6	-7.1	0	0	0	112	S23 W31	S23-D27 PolarHBondContact O-N 2.58Å; D27-W31 WeakPolarHBondContact O-CB 3.43Å; D27-W31 PolarHBondContact O-N 3.19Å
28	T	97.7	Very high	96.7	Very high	13 Å²	13	65 Å²	65	8%	0.08	35%	0.354	C	S	.	.	H	α-helix	trans	-70	-42.3	178.8	-57.2	0	0	0	0	111.2	K24 C25 E26 W31 L32 K46 L50	K24-T28 WeakPolarHBondContact O-CB 3.21Å; K24-T28 PolarHBondContact O-N 2.73Å; K24-T28 PolarHBondContact O-OG1 3.49Å; C25-T28 PolarHBondContact O-N 3.37Å; E26-T28 PolarHBondContact O-N 2.96Å; T28-W31 WeakPolarHBondContact O-CB 3.39Å; T28-W31 PolarHBondContact O-N 2.73Å; T28-L32 HydrophobicContact CG2-CD1 4.21Å; T28-L32 HydrophobicContact CG2-CG 4.47Å; T28-L32 VanDerWaalsContact O-CG 3.25Å; T28-L32 WeakPolarHBondContact O-CG 3.33Å; T28-L32 PolarHBondContact O-N 3.42Å; T28-K46 HydrophobicContact CG2-CG 4.08Å; T28-L50 HydrophobicContact CG2-CD2 4.35Å
29	I	97.1	Very high	96.9	Very high	89 Å²	89	68.9 Å²	68.9	46%	0.456	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-49.1	175.7	-69.4	162.1	0	0	0	110.3	C25 E26 W31 L32 D33	C25-I29 WeakPolarHBondContact O-CD1 3.46Å; C25-I29 VanDerWaalsContact O-CG1 3.27Å; C25-I29 WeakPolarHBondContact O-CG1 3.37Å; C25-I29 PolarHBondContact O-N 2.99Å; E26-I29 PolarHBondContact O-N 3.19Å; E26-I29 VanDerWaalsContact O-N 3.15Å; I29-W31 VanDerWaalsContact C-N 3.25Å; I29-W31 PolarHBondContact O-N 2.82Å; I29-L32 WeakPolarHBondContact O-CB 3.23Å; I29-L32 PolarHBondContact O-N 3.24Å; I29-D33 PolarHBondContact O-N 3.04Å
30	S	97.9	Very high	97.1	Very high	73 Å²	73	71.3 Å²	71.3	51%	0.51	38%	0.383	S	S	.	.	H	α-helix	trans	-60	-37.2	176.9	-64.4	0	0	0	0	112.4	E26 V34	E26-S30 PolarHBondContact O-N 3.23Å; E26-S30 PolarHBondContact O-OG 2.99Å; S30-V34 WeakPolarHBondContact O-CG2 3.45Å; S30-V34 PolarHBondContact O-N 3.39Å
31	W	98.6	Very high	97.2	Very high	47 Å²	47	73.7 Å²	73.7	18%	0.178	39%	0.389	C	S	.	.	H	α-helix	trans	-63.4	-46.3	173.2	-174.6	89.8	0	0	0	111.5	D27 T28 I29 D33 V34 H35 A38 E42 Y43 K46	D27-W31 WeakPolarHBondContact O-CB 3.43Å; D27-W31 PolarHBondContact O-N 3.19Å; T28-W31 WeakPolarHBondContact O-CB 3.39Å; T28-W31 PolarHBondContact O-N 2.73Å; I29-W31 VanDerWaalsContact C-N 3.25Å; I29-W31 PolarHBondContact O-N 2.82Å; W31-D33 VanDerWaalsContact C-N 3.33Å; W31-D33 PolarHBondContact O-N 3.49Å; W31-V34 PolarHBondContact O-N 3.19Å; W31-H35 AromaticContact CD1-CE1 3.45Å; W31-H35 VanDerWaalsContact CD1-CE1 3.45Å; W31-H35 AromaticContact CD1-ND1 3.48Å; W31-H35 HydrophobicContact CD2-CB 4.05Å; W31-H35 AromaticContact CD2-CG 3.93Å; W31-H35 AromaticContact CD2-ND1 3.78Å; W31-H35 AromaticContact CE2-CD2 3.83Å; W31-H35 AromaticContact CE2-CG 3.52Å; W31-H35 AromaticContact CE2-ND1 3.65Å; W31-H35 HydrophobicContact CE3-CB 4.09Å; W31-H35 AromaticContact CG-ND1 3.7Å; W31-H35 HydrophobicContact CH2-CB 3.86Å; W31-H35 HydrophobicContact CZ2-CB 3.79Å; W31-H35 AromaticContact CZ2-CD2 3.89Å; W31-H35 AromaticContact CZ2-CG 3.76Å; W31-H35 HydrophobicContact CZ3-CB 4.01Å; W31-H35 AromaticContact NE1-CD2 3.72Å; W31-H35 AromaticContact NE1-CE1 3.37Å; W31-H35 PolarHBondContact NE1-CE1 3.06Å; W31-H35 AromaticContact NE1-CG 3.66Å; W31-H35 AromaticContact NE1-ND1 3.43Å; W31-H35 PolarHBondContact NE1-ND1 3.4Å; W31-H35 AromaticContact NE1-NE2 3.54Å; W31-H35 VanDerWaalsContact O-CB 3.3Å; W31-H35 WeakPolarHBondContact O-CB 3.32Å; W31-H35 PolarHBondContact O-N 3.2Å; W31-H35 PolarHBondContact O-ND1 2.88Å; W31-A38 HydrophobicContact CH2-CB 3.98Å; W31-E42 HydrophobicContact CH2-CB 4.05Å; W31-E42 HydrophobicContact CZ2-CB 4.16Å; W31-Y43 HydrophobicContact CH2-CD1 4.17Å; W31-Y43 HydrophobicContact CH2-CE1 4.43Å; W31-Y43 AromaticContact CZ3-CD1 3.7Å; W31-Y43 HydrophobicContact CZ3-CD1 3.7Å; W31-Y43 AromaticContact CZ3-CE1 3.88Å; W31-Y43 HydrophobicContact CZ3-CE1 3.88Å; W31-K46 HydrophobicContact CB-CD 4.15Å; W31-K46 HydrophobicContact CD2-CB 4.29Å; W31-K46 HydrophobicContact CD2-CD 3.63Å; W31-K46 HydrophobicContact CD2-CG 3.75Å; W31-K46 HydrophobicContact CE3-CB 3.99Å; W31-K46 HydrophobicContact CE3-CD 4Å; W31-K46 HydrophobicContact CE3-CG 3.56Å; W31-K46 HydrophobicContact CG-CD 3.68Å; W31-K46 HydrophobicContact CG-CG 4.24Å; W31-K46 HydrophobicContact CH2-CB 4.12Å; W31-K46 HydrophobicContact CZ2-CB 4.41Å; W31-K46 HydrophobicContact CZ3-CB 3.89Å; W31-K46 HydrophobicContact CZ3-CG 4Å
32	L	98.2	Very high	97.4	Very high	72 Å²	72	77 Å²	77	38%	0.377	41%	0.405	S	S	.	.	H	α-helix	trans	-62.2	-37.8	178.9	-69.5	169.4	0	0	0	112.6	T28 I29 V34 H35 Q36 Y43	T28-L32 HydrophobicContact CG2-CD1 4.21Å; T28-L32 HydrophobicContact CG2-CG 4.47Å; T28-L32 VanDerWaalsContact O-CG 3.25Å; T28-L32 WeakPolarHBondContact O-CG 3.33Å; T28-L32 PolarHBondContact O-N 3.42Å; I29-L32 WeakPolarHBondContact O-CB 3.23Å; I29-L32 PolarHBondContact O-N 3.24Å; L32-V34 VanDerWaalsContact C-N 3.27Å; L32-V34 PolarHBondContact O-N 2.93Å; L32-H35 PolarHBondContact O-N 3.37Å; L32-Q36 WeakPolarHBondContact O-CG 3.32Å; L32-Q36 PolarHBondContact O-N 3.17Å; L32-Y43 HydrophobicContact CD2-CD1 3.76Å; L32-Y43 HydrophobicContact CD2-CE1 3.56Å
33	D	97.8	Very high	97.5	Very high	103 Å²	103	79.8 Å²	79.8	55%	0.551	41%	0.414	S	S	*	.	H	α-helix	trans	-63.8	-33.5	177.6	-70.3	-27.6	0	0	0	112.2	I29 W31	I29-D33 PolarHBondContact O-N 3.04Å; W31-D33 VanDerWaalsContact C-N 3.33Å; W31-D33 PolarHBondContact O-N 3.49Å
34	V	98	Very high	97.6	Very high	114 Å²	114	81.2 Å²	81.2	69%	0.691	42%	0.415	S	S	*	.	H	α-helix	trans	-85.8	-32.3	178.7	175.6	0	0	0	0	112.1	S30 W31 L32	S30-V34 WeakPolarHBondContact O-CG2 3.45Å; S30-V34 PolarHBondContact O-N 3.39Å; W31-V34 PolarHBondContact O-N 3.19Å; L32-V34 VanDerWaalsContact C-N 3.27Å; L32-V34 PolarHBondContact O-N 2.93Å
35	H	96.9	Very high	97.6	Very high	64 Å²	64	83.3 Å²	83.3	30%	0.296	43%	0.433	S	S	.	.			trans	-108.2	37.1	-169.2	-62.4	79	0	0	0	112.7	W31 L32 S37 A38 Y43	W31-H35 AromaticContact CD1-CE1 3.45Å; W31-H35 VanDerWaalsContact CD1-CE1 3.45Å; W31-H35 AromaticContact CD1-ND1 3.48Å; W31-H35 HydrophobicContact CD2-CB 4.05Å; W31-H35 AromaticContact CD2-CG 3.93Å; W31-H35 AromaticContact CD2-ND1 3.78Å; W31-H35 AromaticContact CE2-CD2 3.83Å; W31-H35 AromaticContact CE2-CG 3.52Å; W31-H35 AromaticContact CE2-ND1 3.65Å; W31-H35 HydrophobicContact CE3-CB 4.09Å; W31-H35 AromaticContact CG-ND1 3.7Å; W31-H35 HydrophobicContact CH2-CB 3.86Å; W31-H35 HydrophobicContact CZ2-CB 3.79Å; W31-H35 AromaticContact CZ2-CD2 3.89Å; W31-H35 AromaticContact CZ2-CG 3.76Å; W31-H35 HydrophobicContact CZ3-CB 4.01Å; W31-H35 AromaticContact NE1-CD2 3.72Å; W31-H35 AromaticContact NE1-CE1 3.37Å; W31-H35 PolarHBondContact NE1-CE1 3.06Å; W31-H35 AromaticContact NE1-CG 3.66Å; W31-H35 AromaticContact NE1-ND1 3.43Å; W31-H35 PolarHBondContact NE1-ND1 3.4Å; W31-H35 AromaticContact NE1-NE2 3.54Å; W31-H35 VanDerWaalsContact O-CB 3.3Å; W31-H35 WeakPolarHBondContact O-CB 3.32Å; W31-H35 PolarHBondContact O-N 3.2Å; W31-H35 PolarHBondContact O-ND1 2.88Å; L32-H35 PolarHBondContact O-N 3.37Å; H35-S37 PolarHBondContact O-N 3.15Å; H35-S37 VanDerWaalsContact O-N 3.09Å; H35-A38 HydrophobicContact CB-CB 4Å; H35-A38 VanDerWaalsContact O-CB 3.23Å; H35-A38 WeakPolarHBondContact O-CB 3.49Å; H35-A38 PolarHBondContact O-N 2.92Å; H35-Y43 PolarHBondContact O-OH 3.46Å
36	Q	96.5	Very high	97.7	Very high	153 Å²	153	83.8 Å²	83.8	72%	0.715	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.2	-175.8	-64.4	-174.1	-35.1	0	0	114.5	L32 Y43	L32-Q36 WeakPolarHBondContact O-CG 3.32Å; L32-Q36 PolarHBondContact O-N 3.17Å; Q36-Y43 VanDerWaalsContact C-OH 3.22Å; Q36-Y43 PolarHBondContact O-OH 2.89Å
37	S	96.3	Very high	97.7	Very high	114 Å²	114	85.8 Å²	85.8	80%	0.797	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	18.8	177.6	68.2	0	0	0	0	113.2	H35	H35-S37 PolarHBondContact O-N 3.15Å; H35-S37 VanDerWaalsContact O-N 3.09Å
38	A	97.6	Very high	97.8	Very high	18 Å²	18	86.2 Å²	86.2	15%	0.149	44%	0.437	C	S	.	.			trans	-62.6	156.7	176.7	0	0	0	0	0	111.7	W31 H35 E42 Y43	W31-A38 HydrophobicContact CH2-CB 3.98Å; H35-A38 HydrophobicContact CB-CB 4Å; H35-A38 VanDerWaalsContact O-CB 3.23Å; H35-A38 WeakPolarHBondContact O-CB 3.49Å; H35-A38 PolarHBondContact O-N 2.92Å; A38-E42 WeakPolarHBondContact CA-OE2 3.42Å; A38-E42 HydrophobicContact CB-CB 3.96Å; A38-E42 WeakPolarHBondContact CB-OE2 3.44Å; A38-Y43 HydrophobicContact CB-CD2 4.33Å; A38-Y43 HydrophobicContact CB-CE2 3.92Å; A38-Y43 WeakPolarHBondContact O-CE2 3.48Å
39	E	98.4	Very high	97.7	Very high	124 Å²	124	89.3 Å²	89.3	58%	0.579	45%	0.451	S	S	*	.			trans	-76.6	157.6	177	-70.4	-62.9	156.2	0	0	110.9	H41 E42 Y43	E39-H41 WeakPolarHBondContact CB-ND1 3.27Å; E39-H41 PolarHBondContact O-N 2.8Å; E39-H41 VanDerWaalsContact O-N 3.09Å; E39-E42 HydrophobicContact CB-CG 4.49Å; E39-E42 PolarHBondContact N-OE2 3.48Å; E39-E42 WeakPolarHBondContact O-CB 3.4Å; E39-E42 PolarHBondContact O-N 2.91Å; E39-Y43 WeakPolarHBondContact O-CD2 3.4Å; E39-Y43 PolarHBondContact O-N 3.33Å
40	K	97.7	Very high	97.8	Very high	150 Å²	150	87 Å²	87	65%	0.652	44%	0.439	S	S	*	.	H	α-helix	trans	-48.9	-43.5	-178.8	176.6	178.4	167.6	-177.8	0	113.1	E42 Y43 E44	K40-E42 VanDerWaalsContact C-N 3.26Å; K40-E42 PolarHBondContact O-N 2.72Å; K40-Y43 PolarHBondContact O-N 3.17Å; K40-E44 WeakPolarHBondContact CE-OE1 3.5Å; K40-E44 HydrophobicContact CG-CG 4.43Å; K40-E44 IonicContact NZ-OE1 2.65Å; K40-E44 WeakPolarHBondContact O-CG 3.46Å; K40-E44 PolarHBondContact O-N 3.2Å
41	H	97.8	Very high	97.7	Very high	124 Å²	124	87.7 Å²	87.7	57%	0.574	43%	0.434	S	S	*	.	H	α-helix	trans	-65.2	-29	-178	76.9	-79.4	0	0	0	113	E39 S45	E39-H41 WeakPolarHBondContact CB-ND1 3.27Å; E39-H41 PolarHBondContact O-N 2.8Å; E39-H41 VanDerWaalsContact O-N 3.09Å; H41-S45 WeakPolarHBondContact O-CB 3.47Å; H41-S45 PolarHBondContact O-N 3.14Å
42	E	98.4	Very high	97.6	Very high	70 Å²	70	91.7 Å²	91.7	33%	0.327	45%	0.453	S	S	.	.	H	α-helix	trans	-73.2	-42.4	177.2	-60.1	-179	94	0	0	110.5	W31 A38 E39 K40 E44 S45 K46	W31-E42 HydrophobicContact CH2-CB 4.05Å; W31-E42 HydrophobicContact CZ2-CB 4.16Å; A38-E42 WeakPolarHBondContact CA-OE2 3.42Å; A38-E42 HydrophobicContact CB-CB 3.96Å; A38-E42 WeakPolarHBondContact CB-OE2 3.44Å; E39-E42 HydrophobicContact CB-CG 4.49Å; E39-E42 PolarHBondContact N-OE2 3.48Å; E39-E42 WeakPolarHBondContact O-CB 3.4Å; E39-E42 PolarHBondContact O-N 2.91Å; K40-E42 VanDerWaalsContact C-N 3.26Å; K40-E42 PolarHBondContact O-N 2.72Å; E42-E44 VanDerWaalsContact C-N 3.34Å; E42-E44 PolarHBondContact O-N 2.95Å; E42-S45 PolarHBondContact O-N 2.93Å; E42-K46 WeakPolarHBondContact O-CB 3.43Å; E42-K46 PolarHBondContact O-N 3.31Å
43	Y	98.2	Very high	97.5	Very high	78 Å²	78	90.1 Å²	90.1	31%	0.306	45%	0.446	S	S	.	.	H	α-helix	trans	-62.3	-40.7	172.5	-71.7	-69.9	0	0	0	112.3	W31 L32 H35 Q36 A38 E39 K40 K46 R47	W31-Y43 HydrophobicContact CH2-CD1 4.17Å; W31-Y43 HydrophobicContact CH2-CE1 4.43Å; W31-Y43 AromaticContact CZ3-CD1 3.7Å; W31-Y43 HydrophobicContact CZ3-CD1 3.7Å; W31-Y43 AromaticContact CZ3-CE1 3.88Å; W31-Y43 HydrophobicContact CZ3-CE1 3.88Å; L32-Y43 HydrophobicContact CD2-CD1 3.76Å; L32-Y43 HydrophobicContact CD2-CE1 3.56Å; H35-Y43 PolarHBondContact O-OH 3.46Å; Q36-Y43 VanDerWaalsContact C-OH 3.22Å; Q36-Y43 PolarHBondContact O-OH 2.89Å; A38-Y43 HydrophobicContact CB-CD2 4.33Å; A38-Y43 HydrophobicContact CB-CE2 3.92Å; A38-Y43 WeakPolarHBondContact O-CE2 3.48Å; E39-Y43 WeakPolarHBondContact O-CD2 3.4Å; E39-Y43 PolarHBondContact O-N 3.33Å; K40-Y43 PolarHBondContact O-N 3.17Å; Y43-K46 PolarHBondContact O-N 3.18Å; Y43-R47 WeakPolarHBondContact O-CB 3.42Å; Y43-R47 PolarHBondContact O-N 2.94Å
44	E	98.3	Very high	97.3	Very high	87 Å²	87	85.6 Å²	85.6	41%	0.407	42%	0.422	S	S	.	.	H	α-helix	trans	-63.1	-44.5	175.9	-74.5	176.1	162.2	0	0	111.6	K40 E42 R47 E48	K40-E44 WeakPolarHBondContact CE-OE1 3.5Å; K40-E44 HydrophobicContact CG-CG 4.43Å; K40-E44 IonicContact NZ-OE1 2.65Å; K40-E44 WeakPolarHBondContact O-CG 3.46Å; K40-E44 PolarHBondContact O-N 3.2Å; E42-E44 VanDerWaalsContact C-N 3.34Å; E42-E44 PolarHBondContact O-N 2.95Å; E44-R47 PolarHBondContact O-N 3.05Å; E44-E48 WeakPolarHBondContact O-CB 3.38Å; E44-E48 PolarHBondContact O-N 2.65Å
45	S	98.2	Very high	97	Very high	74 Å²	74	82.6 Å²	82.6	52%	0.517	41%	0.409	S	S	.	.	H	α-helix	trans	-60	-45.8	174.5	-177.3	0	0	0	0	111.5	H41 E42 R47 E48 E49	H41-S45 WeakPolarHBondContact O-CB 3.47Å; H41-S45 PolarHBondContact O-N 3.14Å; E42-S45 PolarHBondContact O-N 2.93Å; S45-R47 PolarHBondContact O-N 3.36Å; S45-E48 PolarHBondContact O-N 2.65Å; S45-E49 PolarHBondContact O-N 3.28Å
46	K	98.1	Very high	96.8	Very high	23 Å²	23	82.7 Å²	82.7	10%	0.1	42%	0.416	C	S	.	.	H	α-helix	trans	-64.8	-40.1	178.3	-167.9	71.4	-171	170.1	0	112.5	T28 W31 E42 Y43 E49 L50	T28-K46 HydrophobicContact CG2-CG 4.08Å; W31-K46 HydrophobicContact CB-CD 4.15Å; W31-K46 HydrophobicContact CD2-CB 4.29Å; W31-K46 HydrophobicContact CD2-CD 3.63Å; W31-K46 HydrophobicContact CD2-CG 3.75Å; W31-K46 HydrophobicContact CE3-CB 3.99Å; W31-K46 HydrophobicContact CE3-CD 4Å; W31-K46 HydrophobicContact CE3-CG 3.56Å; W31-K46 HydrophobicContact CG-CD 3.68Å; W31-K46 HydrophobicContact CG-CG 4.24Å; W31-K46 HydrophobicContact CH2-CB 4.12Å; W31-K46 HydrophobicContact CZ2-CB 4.41Å; W31-K46 HydrophobicContact CZ3-CB 3.89Å; W31-K46 HydrophobicContact CZ3-CG 4Å; E42-K46 WeakPolarHBondContact O-CB 3.43Å; E42-K46 PolarHBondContact O-N 3.31Å; Y43-K46 PolarHBondContact O-N 3.18Å; K46-E49 WeakPolarHBondContact CD-OE2 3.28Å; K46-E49 WeakPolarHBondContact CE-OE2 3.32Å; K46-E49 IonicContact NZ-OE2 2.77Å; K46-E49 PolarHBondContact NZ-OE2 3.19Å; K46-E49 WeakPolarHBondContact O-CB 2.98Å; K46-E49 PolarHBondContact O-N 3.4Å; K46-L50 PolarHBondContact O-N 3.13Å; K46-L50 VanDerWaalsContact O-N 3.14Å
47	R	97.5	Very high	96.6	Very high	130 Å²	130	76 Å²	76	49%	0.491	39%	0.385	S	S	.	.	H	α-helix	trans	-61.8	-46.1	174.2	-177.8	-172.4	63.8	82.9	8.8	111.1	Y43 E44 S45 E49 L50 E51	Y43-R47 WeakPolarHBondContact O-CB 3.42Å; Y43-R47 PolarHBondContact O-N 2.94Å; E44-R47 PolarHBondContact O-N 3.05Å; S45-R47 PolarHBondContact O-N 3.36Å; R47-E49 VanDerWaalsContact C-N 3.29Å; R47-E49 PolarHBondContact O-N 3.35Å; R47-L50 PolarHBondContact O-N 3.01Å; R47-E51 HydrophobicContact CG-CG 4.49Å; R47-E51 IonicContact CZ-OE1 3.75Å; R47-E51 IonicContact CZ-OE2 2.65Å; R47-E51 IonicContact NH1-OE1 2.8Å; R47-E51 PolarHBondContact NH1-OE1 2.9Å; R47-E51 IonicContact NH1-OE2 2.62Å; R47-E51 PolarHBondContact NH1-OE2 2.86Å; R47-E51 WeakPolarHBondContact O-CG 3.25Å; R47-E51 PolarHBondContact O-N 3.47Å
48	E	97.8	Very high	96.1	Very high	91 Å²	91	72.4 Å²	72.4	43%	0.425	36%	0.356	S	S	.	.	H	α-helix	trans	-61.5	-38.8	178	-167.9	-171.6	161.6	0	0	111.5	E44 S45 L50 E51 K52	E44-E48 WeakPolarHBondContact O-CB 3.38Å; E44-E48 PolarHBondContact O-N 2.65Å; S45-E48 PolarHBondContact O-N 2.65Å; E48-L50 PolarHBondContact O-N 3.41Å; E48-E51 PolarHBondContact O-N 3.35Å; E48-K52 VanDerWaalsContact CD-NZ 3.34Å; E48-K52 HydrophobicContact CG-CD 4.31Å; E48-K52 WeakPolarHBondContact O-CB 3.46Å; E48-K52 VanDerWaalsContact O-CG 3.28Å; E48-K52 WeakPolarHBondContact O-CG 3.5Å; E48-K52 PolarHBondContact O-N 3.14Å; E48-K52 WeakPolarHBondContact OE1-CE 3.32Å; E48-K52 IonicContact OE1-NZ 3.68Å; E48-K52 PolarHBondContact OE1-NZ 3.47Å
49	E	97.4	Very high	95.7	Very high	78 Å²	78	74.8 Å²	74.8	36%	0.364	37%	0.369	S	S	.	.	H	α-helix	trans	-59.9	-42.7	174.6	-164.4	-167.2	173.7	0	0	112.3	K24 S45 K46 R47	K24-E49 VanDerWaalsContact NZ-CD 3.27Å; K24-E49 IonicContact NZ-OE1 3.67Å; K24-E49 PolarHBondContact NZ-OE1 2.91Å; S45-E49 PolarHBondContact O-N 3.28Å; K46-E49 WeakPolarHBondContact CD-OE2 3.28Å; K46-E49 WeakPolarHBondContact CE-OE2 3.32Å; K46-E49 IonicContact NZ-OE2 2.77Å; K46-E49 PolarHBondContact NZ-OE2 3.19Å; K46-E49 WeakPolarHBondContact O-CB 2.98Å; K46-E49 PolarHBondContact O-N 3.4Å; R47-E49 VanDerWaalsContact C-N 3.29Å; R47-E49 PolarHBondContact O-N 3.35Å
50	L	97.5	Very high	95.2	Very high	39 Å²	39	74.7 Å²	74.7	20%	0.204	37%	0.366	C	S	.	.	H	α-helix	trans	-67.4	-45	175.1	177.2	62.4	0	0	0	111.5	K24 T28 K46 R47 E48 K52 V53 C54	K24-L50 HydrophobicContact CB-CD1 4.13Å; K24-L50 HydrophobicContact CG-CD1 3.68Å; T28-L50 HydrophobicContact CG2-CD2 4.35Å; K46-L50 PolarHBondContact O-N 3.13Å; K46-L50 VanDerWaalsContact O-N 3.14Å; R47-L50 PolarHBondContact O-N 3.01Å; E48-L50 PolarHBondContact O-N 3.41Å; L50-K52 PolarHBondContact O-N 3.36Å; L50-V53 PolarHBondContact O-N 2.97Å; L50-C54 PolarHBondContact O-N 2.62Å
51	E	96.5	Very high	94.5	Very high	89 Å²	89	68.1 Å²	68.1	42%	0.416	34%	0.339	S	S	.	.	H	α-helix	trans	-63.6	-39.3	-179.7	-75.9	175.8	-177.7	0	0	112.6	R47 E48 V53 C54 A55	R47-E51 HydrophobicContact CG-CG 4.49Å; R47-E51 IonicContact CZ-OE1 3.75Å; R47-E51 IonicContact CZ-OE2 2.65Å; R47-E51 IonicContact NH1-OE1 2.8Å; R47-E51 PolarHBondContact NH1-OE1 2.9Å; R47-E51 IonicContact NH1-OE2 2.62Å; R47-E51 PolarHBondContact NH1-OE2 2.86Å; R47-E51 WeakPolarHBondContact O-CG 3.25Å; R47-E51 PolarHBondContact O-N 3.47Å; E48-E51 PolarHBondContact O-N 3.35Å; E51-V53 PolarHBondContact O-N 2.74Å; E51-C54 PolarHBondContact O-N 2.91Å; E51-A55 WeakPolarHBondContact O-CB 3.42Å; E51-A55 PolarHBondContact O-N 3.05Å
52	K	96.8	Very high	93.7	Very high	131 Å²	131	70.5 Å²	70.5	57%	0.57	34%	0.344	S	S	*	.	H	α-helix	trans	-57.9	-28.3	175.7	-80.7	171.7	178.6	162.5	0	113.1	E48 L50 P56	E48-K52 VanDerWaalsContact CD-NZ 3.34Å; E48-K52 HydrophobicContact CG-CD 4.31Å; E48-K52 WeakPolarHBondContact O-CB 3.46Å; E48-K52 VanDerWaalsContact O-CG 3.28Å; E48-K52 WeakPolarHBondContact O-CG 3.5Å; E48-K52 PolarHBondContact O-N 3.14Å; E48-K52 WeakPolarHBondContact OE1-CE 3.32Å; E48-K52 IonicContact OE1-NZ 3.68Å; E48-K52 PolarHBondContact OE1-NZ 3.47Å; L50-K52 PolarHBondContact O-N 3.36Å; K52-P56 VanDerWaalsContact O-CD 3.23Å; K52-P56 WeakPolarHBondContact O-CD 3.46Å; K52-P56 WeakPolarHBondContact O-CG 3.37Å
53	V	95	Very high	92.9	Very high	39 Å²	39	73.8 Å²	73.8	24%	0.236	36%	0.36	C	S	.	.	H	α-helix	trans	-85.3	-47.6	175.8	177.2	0	0	0	0	111.1	V20 K24 L50 E51 I57	V20-V53 HydrophobicContact CG1-CG1 3.5Å; K24-V53 HydrophobicContact CB-CG1 4.28Å; K24-V53 HydrophobicContact CD-CG2 4.17Å; K24-V53 HydrophobicContact CG-CB 4.17Å; K24-V53 HydrophobicContact CG-CG1 4.36Å; K24-V53 HydrophobicContact CG-CG2 4.03Å; L50-V53 PolarHBondContact O-N 2.97Å; E51-V53 PolarHBondContact O-N 2.74Å; V53-I57 HydrophobicContact CG1-CD1 4.5Å; V53-I57 WeakPolarHBondContact O-CD1 2.84Å
54	C	94	Very high	91.7	Very high	8 Å²	8	74.4 Å²	74.4	5%	0.054	38%	0.381	C	S	.	.	H	α-helix	trans	-73.7	-41.4	-174	-65.9	0	0	0	0	113.4	L50 E51 I57 I58	L50-C54 PolarHBondContact O-N 2.62Å; E51-C54 PolarHBondContact O-N 2.91Å; C54-I57 PolarHBondContact O-N 2.92Å; C54-I58 HydrophobicContact CB-CD1 4Å; C54-I58 WeakPolarHBondContact O-CB 3.39Å; C54-I58 VanDerWaalsContact O-CG1 3.26Å; C54-I58 WeakPolarHBondContact O-CG1 3.36Å; C54-I58 PolarHBondContact O-N 3.29Å
55	A	92.8	Very high	90.1	Very high	50 Å²	50	72.9 Å²	72.9	41%	0.413	39%	0.389	S	S	.	.	H	α-helix	trans	-60.8	-44.1	-171.9	0	0	0	0	0	113.6	E51 I57 I58 T59	E51-A55 WeakPolarHBondContact O-CB 3.42Å; E51-A55 PolarHBondContact O-N 3.05Å; A55-I57 VanDerWaalsContact C-N 3.33Å; A55-I57 PolarHBondContact O-N 3.3Å; A55-I58 PolarHBondContact O-N 3.15Å; A55-T59 VanDerWaalsContact O-CB 3.3Å; A55-T59 WeakPolarHBondContact O-CB 3.3Å; A55-T59 PolarHBondContact O-N 3.27Å; A55-T59 PolarHBondContact O-OG1 2.88Å
56	P	92.6	Very high	87.8	Confident	67 Å²	67	71.5 Å²	71.5	44%	0.435	39%	0.386	S	S	.	.	H	α-helix	trans	-63	-37.5	175.7	-24.4	35.6	0	0	0	113.2	K52 K60	K52-P56 VanDerWaalsContact O-CD 3.23Å; K52-P56 WeakPolarHBondContact O-CD 3.46Å; K52-P56 WeakPolarHBondContact O-CG 3.37Å; P56-K60 VanDerWaalsContact O-CG 3.28Å; P56-K60 WeakPolarHBondContact O-CG 3.44Å; P56-K60 PolarHBondContact O-N 2.98Å; P56-K60 VanDerWaalsContact O-N 3.11Å
57	I	91.6	Very high	85.5	Confident	12 Å²	12	78.2 Å²	78.2	6%	0.062	42%	0.42	C	S	.	.	H	α-helix	trans	-69.5	-48.2	-179.9	-62.2	169	0	0	0	109.9	I13 D17 V20 I21 V53 C54 A55 T59 K60 V61	I13-I57 HydrophobicContact CG2-CG2 3.87Å; D17-I57 HydrophobicContact CB-CD1 4.11Å; D17-I57 HydrophobicContact CB-CG1 4.3Å; D17-I57 HydrophobicContact CB-CG2 3.86Å; V20-I57 HydrophobicContact CG1-CD1 4.37Å; I21-I57 HydrophobicContact CD1-CB 4.05Å; I21-I57 HydrophobicContact CD1-CD1 3.83Å; I21-I57 HydrophobicContact CD1-CG2 3.69Å; I21-I57 HydrophobicContact CG1-CD1 3.61Å; V53-I57 HydrophobicContact CG1-CD1 4.5Å; V53-I57 WeakPolarHBondContact O-CD1 2.84Å; C54-I57 PolarHBondContact O-N 2.92Å; A55-I57 VanDerWaalsContact C-N 3.33Å; A55-I57 PolarHBondContact O-N 3.3Å; I57-T59 VanDerWaalsContact C-N 3.31Å; I57-T59 PolarHBondContact O-N 2.97Å; I57-K60 WeakPolarHBondContact O-CB 3.44Å; I57-K60 PolarHBondContact O-N 3.49Å; I57-V61 WeakPolarHBondContact O-CG2 3.45Å; I57-V61 PolarHBondContact O-N 3.3Å; I57-V61 VanDerWaalsContact O-N 3.07Å
58	I	86.1	Confident	83.2	Confident	39 Å²	39	78.4 Å²	78.4	20%	0.2	44%	0.438	C	S	.	.	H	α-helix	trans	-60.7	-43.4	178.2	-66.9	165.9	0	0	0	110.5	M1 C54 A55 K60 V61 Y62	M1-I58 HydrophobicContact CE-CD1 3.37Å; M1-I58 HydrophobicContact SD-CD1 3.85Å; C54-I58 HydrophobicContact CB-CD1 4Å; C54-I58 WeakPolarHBondContact O-CB 3.39Å; C54-I58 VanDerWaalsContact O-CG1 3.26Å; C54-I58 WeakPolarHBondContact O-CG1 3.36Å; C54-I58 PolarHBondContact O-N 3.29Å; A55-I58 PolarHBondContact O-N 3.15Å; I58-K60 VanDerWaalsContact C-N 3.32Å; I58-K60 PolarHBondContact O-N 3.37Å; I58-V61 WeakPolarHBondContact O-CB 3.38Å; I58-V61 PolarHBondContact O-N 3.32Å; I58-V61 VanDerWaalsContact O-N 3.13Å; I58-Y62 HydrophobicContact CG2-CD2 3.56Å; I58-Y62 HydrophobicContact CG2-CE2 3.43Å; I58-Y62 VanDerWaalsContact CG2-CE2 3.43Å; I58-Y62 VanDerWaalsContact O-CD2 3.26Å; I58-Y62 WeakPolarHBondContact O-CD2 3.39Å; I58-Y62 PolarHBondContact O-N 3.35Å
59	T	89.7	Confident	80.7	Confident	67 Å²	67	77.1 Å²	77.1	41%	0.411	45%	0.449	S	S	.	.	H	α-helix	trans	-58.2	-44.9	176.8	-59.3	0	0	0	0	111.4	A55 I57 V61 Y62 Q63	A55-T59 VanDerWaalsContact O-CB 3.3Å; A55-T59 WeakPolarHBondContact O-CB 3.3Å; A55-T59 PolarHBondContact O-N 3.27Å; A55-T59 PolarHBondContact O-OG1 2.88Å; I57-T59 VanDerWaalsContact C-N 3.31Å; I57-T59 PolarHBondContact O-N 2.97Å; T59-V61 VanDerWaalsContact C-N 3.32Å; T59-V61 PolarHBondContact O-N 3.3Å; T59-Y62 PolarHBondContact O-N 2.88Å; T59-Q63 HydrophobicContact CG2-CG 4.36Å; T59-Q63 WeakPolarHBondContact O-CB 3.11Å; T59-Q63 VanDerWaalsContact O-CG 3.28Å; T59-Q63 WeakPolarHBondContact O-CG 3.39Å; T59-Q63 PolarHBondContact O-N 3.34Å
60	K	86.2	Confident	78.2	Confident	122 Å²	122	76.9 Å²	76.9	53%	0.53	47%	0.468	S	S	.	.	H	α-helix	trans	-60.4	-39.8	175.9	-72.7	170.6	-176	178.5	0	112.4	P56 I57 I58 Q63 A64	P56-K60 VanDerWaalsContact O-CG 3.28Å; P56-K60 WeakPolarHBondContact O-CG 3.44Å; P56-K60 PolarHBondContact O-N 2.98Å; P56-K60 VanDerWaalsContact O-N 3.11Å; I57-K60 WeakPolarHBondContact O-CB 3.44Å; I57-K60 PolarHBondContact O-N 3.49Å; I58-K60 VanDerWaalsContact C-N 3.32Å; I58-K60 PolarHBondContact O-N 3.37Å; K60-Q63 PolarHBondContact O-N 2.98Å; K60-A64 WeakPolarHBondContact O-CB 3.23Å; K60-A64 PolarHBondContact O-N 3.42Å
61	V	83.7	Confident	75.8	Confident	13 Å²	13	83.6 Å²	83.6	8%	0.079	50%	0.5	C	S	.	.	H	α-helix	trans	-62.9	-47.7	177.3	174.3	0	0	0	0	111.6	K12 I13 I57 I58 T59 Q63 A64 G65	K12-V61 HydrophobicContact CB-CG1 3.77Å; K12-V61 HydrophobicContact CD-CG1 4.27Å; I13-V61 HydrophobicContact CB-CG2 4.33Å; I13-V61 HydrophobicContact CD1-CG2 4.04Å; I13-V61 HydrophobicContact CG1-CG2 3.2Å; I57-V61 WeakPolarHBondContact O-CG2 3.45Å; I57-V61 PolarHBondContact O-N 3.3Å; I57-V61 VanDerWaalsContact O-N 3.07Å; I58-V61 WeakPolarHBondContact O-CB 3.38Å; I58-V61 PolarHBondContact O-N 3.32Å; I58-V61 VanDerWaalsContact O-N 3.13Å; T59-V61 VanDerWaalsContact C-N 3.32Å; T59-V61 PolarHBondContact O-N 3.3Å; V61-Q63 VanDerWaalsContact C-N 3.32Å; V61-Q63 PolarHBondContact O-N 2.77Å; V61-A64 PolarHBondContact O-N 3.43Å; V61-G65 PolarHBondContact O-N 3.41Å
62	Y	81	Confident	73.5	Confident	173 Å²	173	88 Å²	88	68%	0.678	52%	0.52	S	S	*	.	H	α-helix	trans	-67.5	-33.7	179.2	-79.4	-73.8	0	0	0	112.3	I58 T59 G66	I58-Y62 HydrophobicContact CG2-CD2 3.56Å; I58-Y62 HydrophobicContact CG2-CE2 3.43Å; I58-Y62 VanDerWaalsContact CG2-CE2 3.43Å; I58-Y62 VanDerWaalsContact O-CD2 3.26Å; I58-Y62 WeakPolarHBondContact O-CD2 3.39Å; I58-Y62 PolarHBondContact O-N 3.35Å; T59-Y62 PolarHBondContact O-N 2.88Å; Y62-G66 PolarHBondContact O-N 3.4Å
63	Q	82.5	Confident	70.9	Confident	140 Å²	140	89.9 Å²	89.9	65%	0.654	53%	0.531	S	S	*	.	H	α-helix	trans	-72.2	-40.9	174.7	-73	175.4	-10.8	0	0	112.6	T59 K60 V61 G66	T59-Q63 HydrophobicContact CG2-CG 4.36Å; T59-Q63 WeakPolarHBondContact O-CB 3.11Å; T59-Q63 VanDerWaalsContact O-CG 3.28Å; T59-Q63 WeakPolarHBondContact O-CG 3.39Å; T59-Q63 PolarHBondContact O-N 3.34Å; K60-Q63 PolarHBondContact O-N 2.98Å; V61-Q63 VanDerWaalsContact C-N 3.32Å; V61-Q63 PolarHBondContact O-N 2.77Å; Q63-G66 WeakPolarHBondContact O-CA 3.38Å; Q63-G66 PolarHBondContact O-N 2.82Å; Q63-G66 VanDerWaalsContact O-N 3.07Å
64	A	72.3	Confident	68.6	Low	90 Å²	90	91.6 Å²	91.6	74%	0.744	55%	0.549	S	S	*	.	H	α-helix	trans	-69.5	-35.4	176.7	0	0	0	0	0	111.9	K60 V61 G66	K60-A64 WeakPolarHBondContact O-CB 3.23Å; K60-A64 PolarHBondContact O-N 3.42Å; V61-A64 PolarHBondContact O-N 3.43Å; A64-G66 PolarHBondContact O-N 2.9Å; A64-G66 VanDerWaalsContact O-N 3.13Å
65	G	63.9	Low	66.3	Low	56 Å²	56	97.9 Å²	97.9	58%	0.577	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	15.6	168.8	0	0	0	0	0	113.6	V61 M67	V61-G65 PolarHBondContact O-N 3.41Å; G65-M67 PolarHBondContact O-N 3.2Å
66	G	51.4	Low	63.8	Low	45 Å²	45	98.5 Å²	98.5	46%	0.464	60%	0.604	S	S	.	*			trans	-37.9	108.2	-179.2	0	0	0	0	0	110.8	Y62 Q63 A64	Y62-G66 PolarHBondContact O-N 3.4Å; Q63-G66 WeakPolarHBondContact O-CA 3.38Å; Q63-G66 PolarHBondContact O-N 2.82Å; Q63-G66 VanDerWaalsContact O-N 3.07Å; A64-G66 PolarHBondContact O-N 2.9Å; A64-G66 VanDerWaalsContact O-N 3.13Å
67	M	48.2	Very low	61.5	Low	164 Å²	164	100.7 Å²	100.7	81%	0.808	63%	0.628	S	S	*	*			trans	-44.4	123.1	170.1	-72.1	-79.7	-77.1	0	0	108.2	G65 G69	G65-M67 PolarHBondContact O-N 3.2Å; M67-G69 VanDerWaalsContact C-N 3.32Å; M67-G69 PolarHBondContact O-N 3.34Å
68	P	50.2	Low	59	Low	134 Å²	134	103.6 Å²	103.6	87%	0.87	66%	0.661	S	S	*	*	S	Bend	trans	-69	96	172.2	22.1	-21.6	0	0	0	108
69	G	45.1	Very low	56.7	Low	64 Å²	64	105.9 Å²	105.9	66%	0.66	69%	0.694	S	S	*	*	S	Bend	trans	97.7	132.9	164.9	0	0	0	0	0	116.5	M67	M67-G69 VanDerWaalsContact C-N 3.32Å; M67-G69 PolarHBondContact O-N 3.34Å
70	G	44.5	Very low	54.4	Low	73 Å²	73	106 Å²	106	75%	0.753	71%	0.709	S	S	*	*			trans	83.9	113.1	169.6	0	0	0	0	0	112
71	M	47.9	Very low	52.5	Low	180 Å²	180	106.9 Å²	106.9	89%	0.887	73%	0.73	S	S	*	*			cis	-171	64.6	38.9	-157.9	143.1	158.6	0	0	107.5
72	H	47.1	Very low	50.9	Low	180 Å²	180	109.2 Å²	109.2	83%	0.833	76%	0.757	S	S	*	*	S	Bend	trans	-92.5	126.6	152	-170.5	-126.9	0	0	0	104.7
73	E	44	Very low	49.3	Very low	172 Å²	172	109.6 Å²	109.6	80%	0.804	76%	0.762	S	S	*	*			trans	87.2	89.5	-176.6	-56	-174.2	149.6	0	0	117
74	A	46.1	Very low	47.7	Very low	74 Å²	74	105.7 Å²	105.7	61%	0.612	76%	0.76	S	S	*	*				158.6	106.6	122.4	0	0	0	0	0	106.4	G76	A74-G76 PolarHBondContact O-N 2.92Å
75	S	45.2	Very low	46.9	Very low	140 Å²	140	107.9 Å²	107.9	98%	0.979	77%	0.767	S	S	*	*				35.3	33.7	65	-59.1	0	0	0	0	112.9
76	G	39.8	Very low	46.6	Very low	63 Å²	63	109.6 Å²	109.6	65%	0.649	77%	0.766	S	S	*	*			trans	-94.6	91.2	162.2	0	0	0	0	0	107.7	A74 G78	A74-G76 PolarHBondContact O-N 2.92Å; G76-G78 VanDerWaalsContact C-N 3.33Å; G76-G78 PolarHBondContact O-N 3.09Å
77	A	45.9	Very low	47.3	Very low	114 Å²	114	114.7 Å²	114.7	94%	0.942	78%	0.781	S	S	*	*			trans	-53.9	98.1	163.5	0	0	0	0	0	109.2
78	G	38.2	Very low	48	Very low	72 Å²	72	114.9 Å²	114.9	74%	0.742	78%	0.78	S	S	*	*			trans	-123.2	93.7	172.5	0	0	0	0	0	107.9	G76	G76-G78 VanDerWaalsContact C-N 3.33Å; G76-G78 PolarHBondContact O-N 3.09Å
79	G	37.7	Very low	48.6	Very low	88 Å²	88	117.1 Å²	117.1	91%	0.907	78%	0.779	S	S	*	*			trans	-53.3	139.6	178.3	0	0	0	0	0	112.4
80	G	42.2	Very low	49.6	Very low	69 Å²	69	120.7 Å²	120.7	71%	0.711	79%	0.788	S	S	*	*			trans	-172	66	176.5	0	0	0	0	0	109.7	G82	G80-G82 VanDerWaalsContact C-N 3.29Å; G80-G82 PolarHBondContact O-N 2.79Å
81	S	45.9	Very low	50	Low	140 Å²	140	128.4 Å²	128.4	98%	0.979	81%	0.811	S	S	*	*			trans	-54.8	98.1	158.6	-62	0	0	0	0	108.1
82	G	49.5	Very low	50.1	Low	63 Å²	63	125.8 Å²	125.8	65%	0.649	81%	0.808	S	S	*	*			trans	-163	95.3	-176.7	0	0	0	0	0	110.8	G80	G80-G82 VanDerWaalsContact C-N 3.29Å; G80-G82 PolarHBondContact O-N 2.79Å
83	K	47.3	Very low	50.2	Low	180 Å²	180	122.9 Å²	122.9	78%	0.783	81%	0.806	S	S	*	*			trans	54	82.3	161.5	-88.1	177.7	157	-175.2	0	115.1
84	G	49.6	Very low	50.6	Low	59 Å²	59	120.2 Å²	120.2	61%	0.608	81%	0.806	S	S	*	*	S	Bend	trans	-53.9	150.5	138.8	0	0	0	0	0	109.2	T86	G84-T86 PolarHBondContact O-N 2.9Å
85	P	55.9	Low	50.8	Low	136 Å²	136	122.9 Å²	122.9	88%	0.883	82%	0.818	S	S	*	*			trans	-51.6	112.5	-174.9	-23.1	31.5	0	0	0	110.2	I87	P85-I87 PolarHBondContact O-N 2.98Å
86	T	57	Low	51.2	Low	92 Å²	92	121.9 Å²	121.9	56%	0.564	81%	0.808	S	S	*	*			trans	-67.4	115.5	169.7	44.7	0	0	0	0	106.1	G84 E88	G84-T86 PolarHBondContact O-N 2.9Å; T86-E88 PolarHBondContact O-N 2.99Å
87	I	65.1	Low	51.9	Low	152 Å²	152	125.8 Å²	125.8	78%	0.779	82%	0.818	S	S	*	*			trans	-57.1	109	165.2	-171.1	77.9	0	0	0	105.8	P85 E89	P85-I87 PolarHBondContact O-N 2.98Å; I87-E89 PolarHBondContact O-N 3.43Å; I87-E89 VanDerWaalsContact O-N 3.11Å
88	E	64.1	Low	52.4	Low	168 Å²	168	126.6 Å²	126.6	79%	0.785	81%	0.81	S	S	*	*			trans	-70.3	105.2	167.1	-77.3	-175.9	152.7	0	0	105	T86 V90	T86-E88 PolarHBondContact O-N 2.99Å; E88-V90 VanDerWaalsContact C-N 3.35Å; E88-V90 PolarHBondContact O-N 3.37Å
89	E	63.3	Low	53.5	Low	180 Å²	180	130.8 Å²	130.8	84%	0.841	82%	0.815	S	S	*	*			trans	-54.1	107.9	162.3	-64.9	-173.4	152.1	0	0	106.1	I87 D91	I87-E89 PolarHBondContact O-N 3.43Å; I87-E89 VanDerWaalsContact O-N 3.11Å; E89-D91 PolarHBondContact O-N 3.09Å
90	V	65.9	Low	54.8	Low	140 Å²	140	134.4 Å²	134.4	85%	0.848	81%	0.807	S	S	*	*			trans	-68.5	108.9	165.8	-79	0	0	0	0	106.3	E88	E88-V90 VanDerWaalsContact C-N 3.35Å; E88-V90 PolarHBondContact O-N 3.37Å
91	D	51.6	Low	55.9	Low	234 Å²	234	140.4 Å²	140.4	100%	1.251	82%	0.816	S	S	*	*			trans	-56	0	164.1	-159.9	7.1	0	0	0	110.3	E89	E89-D91 PolarHBondContact O-N 3.09Å

Retrieved 91 of 91 residues in 68.7 ms (Link to these results)

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