A0A077YX50_TRITR Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession A0A077YX50, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 157 aa.

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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	38.4	Very low	57.2	Low	242 Å²	242	113.8 Å²	113.8	100%	1.192	60%	0.598	S	S	*	*				0	126.4	0	-96.9	167.4	144.8	0	0	108.8	S3	M1-S3 PolarHBondContact O-N 3.21Å
2	K	44.3	Very low	59.4	Low	106 Å²	106	112.7 Å²	112.7	46%	0.461	60%	0.599	S	S	.	*			trans	-64.5	122.9	169.7	-107.5	176.6	177.4	174.7	0	107.7	A7 E13	K2-A7 WeakPolarHBondContact CE-O 3.45Å; K2-E13 WeakPolarHBondContact CE-OE1 3.5Å; K2-E13 IonicContact NZ-OE1 3.73Å; K2-E13 PolarHBondContact NZ-OE1 3.42Å
3	S	59.5	Low	61.4	Low	120 Å²	120	108.1 Å²	108.1	84%	0.839	57%	0.572	S	S	*	*	S	Bend	trans	-79.5	-18.2	-175.6	-172.8	0	0	0	0	113.5	M1	M1-S3 PolarHBondContact O-N 3.21Å
4	Q	56.8	Low	63.2	Low	128 Å²	128	100.9 Å²	100.9	60%	0.598	53%	0.534	S	S	*	.			trans	-146.4	135.5	179.3	-72.3	-172.9	-37.5	0	0	110.5	T6 A7	Q4-T6 PolarHBondContact O-N 3.03Å; Q4-A7 HydrophobicContact CB-CB 4.36Å; Q4-A7 WeakPolarHBondContact O-CB 3.41Å; Q4-A7 PolarHBondContact O-N 2.85Å; Q4-A7 VanDerWaalsContact O-N 3.1Å
5	E	56	Low	64.7	Low	185 Å²	185	98.1 Å²	98.1	86%	0.864	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-32	177.6	-159.3	94.9	-145.9	0	0	112.5
6	T	57.4	Low	66	Low	110 Å²	110	94.7 Å²	94.7	68%	0.675	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-5.8	-176.7	56.7	0	0	0	0	114	Q4 H8	Q4-T6 PolarHBondContact O-N 3.03Å; T6-H8 PolarHBondContact O-N 3.31Å; T6-H8 VanDerWaalsContact O-N 3.15Å
7	A	53.7	Low	67.1	Low	41 Å²	41	92.5 Å²	92.5	34%	0.339	49%	0.494	S	S	.	.			trans	-85.1	84.8	178.1	0	0	0	0	0	109.5	K2 Q4	K2-A7 WeakPolarHBondContact CE-O 3.45Å; Q4-A7 HydrophobicContact CB-CB 4.36Å; Q4-A7 WeakPolarHBondContact O-CB 3.41Å; Q4-A7 PolarHBondContact O-N 2.85Å; Q4-A7 VanDerWaalsContact O-N 3.1Å
8	H	57.2	Low	68.1	Low	149 Å²	149	87.3 Å²	87.3	69%	0.69	47%	0.467	S	S	*	.			trans	-82.9	136.1	172.6	-57.6	-69.7	0	0	0	110.3	T6	T6-H8 PolarHBondContact O-N 3.31Å; T6-H8 VanDerWaalsContact O-N 3.15Å
9	G	61	Low	68.9	Low	14 Å²	14	88.3 Å²	88.3	14%	0.144	47%	0.468	C	S	.	.	S	Bend	trans	93.1	27.7	167.3	0	0	0	0	0	117.3	Y65	G9-Y65 WeakPolarHBondContact O-CE2 3.35Å; G9-Y65 VanDerWaalsContact O-CZ 3.23Å; G9-Y65 PolarHBondContact O-OH 3.36Å
10	N	68.2	Low	69.6	Low	73 Å²	73	89 Å²	89	39%	0.39	47%	0.47	S	S	.	.	S	Bend	trans	-72.8	-81.5	-171.8	-169.5	13.5	0	0	0	112.9	E13 L14	N10-E13 PolarHBondContact N-OE2 3.37Å; N10-E13 VanDerWaalsContact N-OE2 3.1Å; N10-L14 WeakPolarHBondContact O-CD1 3.15Å
11	H	77	Confident	70.1	Confident	84 Å²	84	89.6 Å²	89.6	39%	0.389	47%	0.466	S	S	.	.	S	Bend	trans	-127.3	-41.3	-175.9	-74.7	70.5	0	0	0	112.1	L14 Q15 N42 F44	H11-L14 PolarHBondContact O-N 3.34Å; H11-Q15 WeakPolarHBondContact O-CB 3.5Å; H11-Q15 PolarHBondContact O-N 3.34Å; H11-N42 PolarHBondContact NE2-ND2 3.5Å; H11-F44 HydrophobicContact CB-CE1 4.04Å; H11-F44 HydrophobicContact CB-CZ 4.29Å; H11-F44 AromaticContact CD2-CE1 3.8Å; H11-F44 AromaticContact CD2-CZ 3.72Å
12	V	83.6	Confident	72.1	Confident	100 Å²	100	81.5 Å²	81.5	61%	0.606	43%	0.428	S	S	*	.	H	α-helix	trans	-68.4	-38.4	-178	65.3	0	0	0	0	111.7	Q15 A16	V12-Q15 PolarHBondContact O-N 3.24Å; V12-A16 WeakPolarHBondContact O-CB 3.48Å; V12-A16 PolarHBondContact O-N 3.44Å
13	E	84.6	Confident	73.9	Confident	53 Å²	53	77.5 Å²	77.5	25%	0.248	41%	0.41	C	S	.	.	H	α-helix	trans	-69.3	-40.4	177	-61.3	87.3	168.6	0	0	111.5	K2 N10 A16 I17	K2-E13 WeakPolarHBondContact CE-OE1 3.5Å; K2-E13 IonicContact NZ-OE1 3.73Å; K2-E13 PolarHBondContact NZ-OE1 3.42Å; N10-E13 PolarHBondContact N-OE2 3.37Å; N10-E13 VanDerWaalsContact N-OE2 3.1Å; E13-A16 PolarHBondContact O-N 3.1Å; E13-I17 VanDerWaalsContact O-CG1 3.23Å; E13-I17 WeakPolarHBondContact O-CG1 3.34Å; E13-I17 PolarHBondContact O-N 2.91Å
14	L	86.9	Confident	75.1	Confident	7 Å²	7	73.1 Å²	73.1	4%	0.037	38%	0.379	C	S	.	.	H	α-helix	trans	-65.6	-40.7	175.7	-67.5	-177.6	0	0	0	111.3	N10 H11 I17 A18 I25 V27 F44 L57 Y65	N10-L14 WeakPolarHBondContact O-CD1 3.15Å; H11-L14 PolarHBondContact O-N 3.34Å; L14-I17 PolarHBondContact O-N 2.95Å; L14-A18 WeakPolarHBondContact O-CB 3.17Å; L14-A18 PolarHBondContact O-N 3.13Å; L14-I25 VanDerWaalsContact O-CD1 3.22Å; L14-I25 WeakPolarHBondContact O-CD1 3.49Å; L14-V27 HydrophobicContact CD1-CG2 3.85Å; L14-F44 HydrophobicContact CB-CD1 4.34Å; L14-F44 HydrophobicContact CB-CD2 3.94Å; L14-F44 HydrophobicContact CB-CE1 4.13Å; L14-F44 HydrophobicContact CB-CE2 3.72Å; L14-F44 HydrophobicContact CB-CG 4.25Å; L14-F44 HydrophobicContact CB-CZ 3.81Å; L14-F44 HydrophobicContact CD1-CD2 4.27Å; L14-F44 HydrophobicContact CD1-CE2 3.45Å; L14-F44 VanDerWaalsContact CD1-CE2 3.45Å; L14-F44 HydrophobicContact CD1-CZ 3.81Å; L14-F44 HydrophobicContact CG-CE2 4.24Å; L14-F44 HydrophobicContact CG-CZ 4.44Å; L14-L57 HydrophobicContact CD2-CD1 3.63Å; L14-Y65 HydrophobicContact CD1-CE1 3.98Å
15	Q	85.9	Confident	76.6	Confident	60 Å²	60	67.1 Å²	67.1	28%	0.28	35%	0.351	S	S	.	.	H	α-helix	trans	-61.3	-45.5	172.9	-175.2	62.1	24.6	0	0	111.6	H11 V12 I17 A18 E19 F44 F45	H11-Q15 WeakPolarHBondContact O-CB 3.5Å; H11-Q15 PolarHBondContact O-N 3.34Å; V12-Q15 PolarHBondContact O-N 3.24Å; Q15-I17 VanDerWaalsContact C-N 3.31Å; Q15-I17 PolarHBondContact O-N 3.48Å; Q15-A18 WeakPolarHBondContact O-CB 3.45Å; Q15-A18 PolarHBondContact O-N 2.7Å; Q15-A18 VanDerWaalsContact O-N 3.12Å; Q15-E19 PolarHBondContact NE2-OE1 3.33Å; Q15-E19 WeakPolarHBondContact O-CG 3.39Å; Q15-E19 PolarHBondContact O-N 3.45Å; Q15-F44 HydrophobicContact CB-CD1 4.28Å; Q15-F45 PolarHBondContact NE2-O 3.11Å
16	A	85.4	Confident	78.1	Confident	43 Å²	43	60.1 Å²	60.1	36%	0.355	32%	0.318	S	S	.	.	H	α-helix	trans	-60.5	-40.6	176.9	0	0	0	0	0	111.8	V12 E13 E19 M20	V12-A16 WeakPolarHBondContact O-CB 3.48Å; V12-A16 PolarHBondContact O-N 3.44Å; E13-A16 PolarHBondContact O-N 3.1Å; A16-E19 PolarHBondContact O-N 3.14Å; A16-M20 VanDerWaalsContact O-CB 3.31Å; A16-M20 WeakPolarHBondContact O-CB 3.43Å; A16-M20 WeakPolarHBondContact O-CG 3.49Å; A16-M20 PolarHBondContact O-N 3.5Å
17	I	84.9	Confident	79.5	Confident	57 Å²	57	55.2 Å²	55.2	29%	0.292	29%	0.288	S	S	.	.	H	α-helix	trans	-64.8	-42.5	174.3	-67.6	166.8	0	0	0	110.6	E13 L14 Q15 E19 M20 Y21 I25	E13-I17 VanDerWaalsContact O-CG1 3.23Å; E13-I17 WeakPolarHBondContact O-CG1 3.34Å; E13-I17 PolarHBondContact O-N 2.91Å; L14-I17 PolarHBondContact O-N 2.95Å; Q15-I17 VanDerWaalsContact C-N 3.31Å; Q15-I17 PolarHBondContact O-N 3.48Å; I17-E19 VanDerWaalsContact C-N 3.28Å; I17-E19 PolarHBondContact O-N 3Å; I17-M20 HydrophobicContact CB-CE 4.36Å; I17-M20 HydrophobicContact CG1-CE 3.81Å; I17-M20 PolarHBondContact O-N 2.93Å; I17-Y21 HydrophobicContact CG2-CD2 3.59Å; I17-Y21 HydrophobicContact CG2-CE2 3.85Å; I17-Y21 VanDerWaalsContact O-CD2 3.32Å; I17-Y21 WeakPolarHBondContact O-CD2 3.35Å; I17-Y21 PolarHBondContact O-N 3.09Å; I17-I25 HydrophobicContact CB-CD1 3.8Å; I17-I25 HydrophobicContact CG2-CD1 3.53Å
18	A	84.9	Confident	81.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-40.3	179.1	0	0	0	0	0	111.6	L14 Q15 N22 R23 I25 F44	L14-A18 WeakPolarHBondContact O-CB 3.17Å; L14-A18 PolarHBondContact O-N 3.13Å; Q15-A18 WeakPolarHBondContact O-CB 3.45Å; Q15-A18 PolarHBondContact O-N 2.7Å; Q15-A18 VanDerWaalsContact O-N 3.12Å; A18-N22 VanDerWaalsContact O-CA 3.32Å; A18-N22 WeakPolarHBondContact O-CA 3.43Å; A18-N22 PolarHBondContact O-N 2.92Å; A18-R23 VanDerWaalsContact CA-O 3.29Å; A18-R23 WeakPolarHBondContact CA-O 3.43Å; A18-R23 WeakPolarHBondContact CB-O 3.47Å; A18-R23 PolarHBondContact O-N 3.49Å; A18-I25 HydrophobicContact CB-CD1 3.98Å; A18-I25 HydrophobicContact CB-CG1 3.89Å; A18-F44 HydrophobicContact CB-CB 4.12Å
19	E	83.5	Confident	82.3	Confident	105 Å²	105	53.2 Å²	53.2	49%	0.491	27%	0.27	S	S	.	.	H	α-helix	trans	-72.5	-46.2	175.7	-71	173.7	-164.3	0	0	112.3	Q15 A16 I17 Y21 N22	Q15-E19 PolarHBondContact NE2-OE1 3.33Å; Q15-E19 WeakPolarHBondContact O-CG 3.39Å; Q15-E19 PolarHBondContact O-N 3.45Å; A16-E19 PolarHBondContact O-N 3.14Å; I17-E19 VanDerWaalsContact C-N 3.28Å; I17-E19 PolarHBondContact O-N 3Å; E19-Y21 VanDerWaalsContact C-N 3.34Å; E19-Y21 PolarHBondContact O-N 3.34Å; E19-N22 PolarHBondContact O-N 2.94Å; E19-N22 VanDerWaalsContact O-N 3.16Å; E19-N22 PolarHBondContact O-OD1 3.36Å
20	M	83.3	Confident	82.9	Confident	103 Å²	103	60.5 Å²	60.5	51%	0.507	30%	0.295	S	S	.	.	H	α-helix	trans	-57.3	-46.5	177.7	-79.1	-170.4	-57.1	0	0	111.6	A16 I17 N22 L80	A16-M20 VanDerWaalsContact O-CB 3.31Å; A16-M20 WeakPolarHBondContact O-CB 3.43Å; A16-M20 WeakPolarHBondContact O-CG 3.49Å; A16-M20 PolarHBondContact O-N 3.5Å; I17-M20 HydrophobicContact CB-CE 4.36Å; I17-M20 HydrophobicContact CG1-CE 3.81Å; I17-M20 PolarHBondContact O-N 2.93Å; M20-N22 VanDerWaalsContact C-N 3.34Å; M20-L80 WeakPolarHBondContact O-CD1 3.35Å; M20-L80 VanDerWaalsContact O-CG 3.25Å; M20-L80 WeakPolarHBondContact O-CG 3.28Å
21	Y	79.6	Confident	82.8	Confident	101 Å²	101	60.1 Å²	60.1	40%	0.396	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-5.1	-179.3	-70.3	-75	0	0	0	113.6	I17 E19 R23 I55 G79 L80	I17-Y21 HydrophobicContact CG2-CD2 3.59Å; I17-Y21 HydrophobicContact CG2-CE2 3.85Å; I17-Y21 VanDerWaalsContact O-CD2 3.32Å; I17-Y21 WeakPolarHBondContact O-CD2 3.35Å; I17-Y21 PolarHBondContact O-N 3.09Å; E19-Y21 VanDerWaalsContact C-N 3.34Å; E19-Y21 PolarHBondContact O-N 3.34Å; Y21-R23 PolarHBondContact O-N 3.15Å; Y21-I55 HydrophobicContact CD2-CD1 4.44Å; Y21-I55 HydrophobicContact CG-CD1 4.43Å; Y21-G79 VanDerWaalsContact O-CA 3.23Å; Y21-G79 WeakPolarHBondContact O-CA 3.5Å; Y21-L80 HydrophobicContact CD1-CB 4.32Å
22	N	80.2	Confident	82.2	Confident	73 Å²	73	62 Å²	62	39%	0.39	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	43.4	-169.7	-68.8	-62.5	0	0	0	112.1	A18 E19 M20	A18-N22 VanDerWaalsContact O-CA 3.32Å; A18-N22 WeakPolarHBondContact O-CA 3.43Å; A18-N22 PolarHBondContact O-N 2.92Å; E19-N22 PolarHBondContact O-N 2.94Å; E19-N22 VanDerWaalsContact O-N 3.16Å; E19-N22 PolarHBondContact O-OD1 3.36Å; M20-N22 VanDerWaalsContact C-N 3.34Å
23	R	82.4	Confident	81.1	Confident	22 Å²	22	62.4 Å²	62.4	8%	0.083	32%	0.317	C	S	.	.			trans	-132.7	137.4	-178.6	-76	-179.4	69.2	-171.1	-0.1	110.4	A18 Y21 A53 P54 I55 T75 V78	A18-R23 VanDerWaalsContact CA-O 3.29Å; A18-R23 WeakPolarHBondContact CA-O 3.43Å; A18-R23 WeakPolarHBondContact CB-O 3.47Å; A18-R23 PolarHBondContact O-N 3.49Å; Y21-R23 PolarHBondContact O-N 3.15Å; R23-A53 VanDerWaalsContact CZ-O 3.29Å; R23-A53 PolarHBondContact NE-O 2.93Å; R23-A53 PolarHBondContact NH2-O 3.31Å; R23-P54 PolarHBondContact NH2-O 3.4Å; R23-I55 HydrophobicContact CB-CD1 4.12Å; R23-I55 HydrophobicContact CB-CG1 4.13Å; R23-T75 VanDerWaalsContact NH2-CB 3.33Å; R23-T75 PolarHBondContact NH2-OG1 3.09Å; R23-V78 WeakPolarHBondContact CD-O 3.36Å
24	P	85.1	Confident	79.6	Confident	28 Å²	28	63 Å²	63	18%	0.182	33%	0.325	C	S	.	.			trans	-64.8	140.8	171.5	24	-27.7	0	0	0	110.2	F44 P54 I55	P24-F44 VanDerWaalsContact CA-O 3.24Å; P24-F44 WeakPolarHBondContact CA-O 3.34Å; P24-P54 HydrophobicContact CB-CB 4.38Å; P24-P54 HydrophobicContact CG-CB 4Å; P24-P54 CarbonylContact O-C 3.44Å; P24-P54 WeakPolarHBondContact O-CA 3.45Å; P24-P54 WeakPolarHBondContact O-CB 3.47Å; P24-I55 PolarHBondContact O-N 3.11Å
25	I	87.3	Confident	78.3	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.005	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.7	175.3	-55.7	-176.7	0	0	0	109	L14 I17 A18 V27 T43 F44 I55 L57	L14-I25 VanDerWaalsContact O-CD1 3.22Å; L14-I25 WeakPolarHBondContact O-CD1 3.49Å; I17-I25 HydrophobicContact CB-CD1 3.8Å; I17-I25 HydrophobicContact CG2-CD1 3.53Å; A18-I25 HydrophobicContact CB-CD1 3.98Å; A18-I25 HydrophobicContact CB-CG1 3.89Å; I25-V27 HydrophobicContact CG2-CG2 4.38Å; I25-T43 CarbonylContact O-C 3.51Å; I25-T43 WeakPolarHBondContact O-CA 3.27Å; I25-F44 HydrophobicContact CB-CB 4.27Å; I25-F44 HydrophobicContact CB-CD2 4.24Å; I25-F44 HydrophobicContact CG2-CD2 4.45Å; I25-F44 PolarHBondContact N-O 3.05Å; I25-F44 PolarHBondContact O-N 3.27Å; I25-I55 CarbonylContact C-O 3.48Å; I25-I55 WeakPolarHBondContact CA-O 3.42Å; I25-I55 HydrophobicContact CG1-CB 4.27Å; I25-L57 HydrophobicContact CG2-CD1 3.76Å; I25-L57 HydrophobicContact CG2-CG 4.11Å
26	E	87.7	Confident	77.1	Confident	39 Å²	39	72.8 Å²	72.8	18%	0.182	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.8	174.9	-68.7	179.2	165.7	0	0	109.7	Y28 P40 T43 P54 I55 R56 L57	E26-Y28 HydrophobicContact CB-CD2 4.38Å; E26-Y28 HydrophobicContact CB-CE2 3.62Å; E26-Y28 PolarHBondContact OE2-OH 2.91Å; E26-P40 HydrophobicContact CB-CB 4.03Å; E26-P40 HydrophobicContact CB-CG 4.42Å; E26-P40 HydrophobicContact CG-CB 4.46Å; E26-P40 HydrophobicContact CG-CG 4.31Å; E26-T43 HydrophobicContact CG-CG2 4.26Å; E26-P54 HydrophobicContact CG-CB 3.88Å; E26-P54 HydrophobicContact CG-CG 4.24Å; E26-I55 PolarHBondContact N-O 3.5Å; E26-R56 CarbonylContact O-C 3.57Å; E26-R56 WeakPolarHBondContact O-CA 3.34Å; E26-R56 IonicContact OE2-NE 2.66Å; E26-L57 PolarHBondContact O-N 3.47Å
27	V	87.7	Confident	75.9	Confident	6 Å²	6	78.2 Å²	78.2	4%	0.036	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121.3	177.5	-175.3	0	0	0	0	110.1	L14 I25 P40 I41 N42 F44 L57 Y65	L14-V27 HydrophobicContact CD1-CG2 3.85Å; I25-V27 HydrophobicContact CG2-CG2 4.38Å; V27-P40 CarbonylContact O-C 3.55Å; V27-P40 VanDerWaalsContact O-CA 3.31Å; V27-P40 WeakPolarHBondContact O-CA 3.38Å; V27-P40 WeakPolarHBondContact O-CB 3.49Å; V27-I41 PolarHBondContact O-N 2.98Å; V27-N42 HydrophobicContact CB-CB 4.38Å; V27-N42 PolarHBondContact N-O 3.36Å; V27-F44 HydrophobicContact CG2-CE2 4.01Å; V27-L57 CarbonylContact C-O 3.57Å; V27-L57 WeakPolarHBondContact CA-O 3.3Å; V27-L57 HydrophobicContact CG2-CB 4.44Å; V27-Y65 HydrophobicContact CG1-CD1 4.44Å; V27-Y65 HydrophobicContact CG1-CE1 4.09Å
28	Y	85.9	Confident	75.1	Confident	35 Å²	35	77.5 Å²	77.5	14%	0.137	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	141.3	178.3	-64.5	-91.2	0	0	0	110.4	E26 T38 P40 R56 L57 S58 Y59	E26-Y28 HydrophobicContact CB-CD2 4.38Å; E26-Y28 HydrophobicContact CB-CE2 3.62Å; E26-Y28 PolarHBondContact OE2-OH 2.91Å; Y28-T38 WeakPolarHBondContact CE1-O 3.28Å; Y28-P40 HydrophobicContact CD1-CB 4.45Å; Y28-P40 HydrophobicContact CE1-CB 4.22Å; Y28-P40 HydrophobicContact CE2-CB 4.47Å; Y28-R56 HydrophobicContact CD2-CB 4.34Å; Y28-R56 HydrophobicContact CE2-CB 3.98Å; Y28-R56 HydrophobicContact CE2-CG 3.97Å; Y28-L57 PolarHBondContact N-O 2.96Å; Y28-S58 CarbonylContact O-C 3.48Å; Y28-S58 VanDerWaalsContact O-CA 3.28Å; Y28-S58 WeakPolarHBondContact O-CA 3.34Å; Y28-Y59 PolarHBondContact O-N 3.31Å
29	Q	82.7	Confident	74.7	Confident	113 Å²	113	82.2 Å²	82.2	53%	0.528	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	146.3	162.8	-119.2	177.6	-98.5	0	0	109.5	N31 I41	Q29-N31 PolarHBondContact O-N 3.5Å; Q29-I41 HydrophobicContact CB-CD1 3.28Å; Q29-I41 HydrophobicContact CB-CG1 4.16Å; Q29-I41 HydrophobicContact CG-CD1 3.44Å; Q29-I41 VanDerWaalsContact CG-CD1 3.44Å; Q29-I41 VanDerWaalsContact OE1-CD1 3.29Å
30	Y	73.7	Confident	74.4	Confident	168 Å²	168	78.9 Å²	78.9	66%	0.659	42%	0.421	S	S	*	.			trans	-69.8	110.4	162.9	-165.7	-101.7	0	0	0	109.6	T32	Y30-T32 HydrophobicContact CD1-CG2 4.15Å; Y30-T32 HydrophobicContact CE1-CG2 3.5Å; Y30-T32 VanDerWaalsContact CE1-CG2 3.5Å
31	N	66.6	Low	74.2	Confident	64 Å²	64	78 Å²	78	34%	0.342	42%	0.417	S	S	.	.			trans	-112	120.4	165.1	55.8	-5.1	0	0	0	108.8	Q29 S33 T34 T38	Q29-N31 PolarHBondContact O-N 3.5Å; N31-S33 PolarHBondContact O-N 3.05Å; N31-S33 VanDerWaalsContact O-N 3.17Å; N31-T34 PolarHBondContact ND2-OG1 3.18Å; N31-T34 PolarHBondContact OD1-OG1 3.35Å; N31-T38 VanDerWaalsContact ND2-CG2 3.34Å; N31-T38 WeakPolarHBondContact ND2-CG2 3.5Å; N31-T38 PolarHBondContact ND2-OG1 2.93Å; N31-T38 PolarHBondContact OD1-OG1 2.99Å
32	T	64.9	Low	74.1	Confident	125 Å²	125	75.9 Å²	75.9	77%	0.767	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.4	177.7	46.7	0	0	0	0	113.1	Y30	Y30-T32 HydrophobicContact CD1-CG2 4.15Å; Y30-T32 HydrophobicContact CE1-CG2 3.5Å; Y30-T32 VanDerWaalsContact CE1-CG2 3.5Å
33	S	59.3	Low	74.1	Confident	107 Å²	107	74.8 Å²	74.8	75%	0.748	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-4.8	-166.4	-170.3	0	0	0	0	115.3	N31	N31-S33 PolarHBondContact O-N 3.05Å; N31-S33 VanDerWaalsContact O-N 3.17Å
34	T	52.7	Low	74.1	Confident	66 Å²	66	74.5 Å²	74.5	41%	0.405	41%	0.408	S	S	.	.			trans	-133.6	111.8	-175.9	44.1	0	0	0	0	111.5	N31 V36 T38	N31-T34 PolarHBondContact ND2-OG1 3.18Å; N31-T34 PolarHBondContact OD1-OG1 3.35Å; T34-V36 PolarHBondContact O-N 3.38Å; T34-T38 PolarHBondContact OG1-OG1 2.91Å
35	V	60.3	Low	73.6	Confident	158 Å²	158	80.2 Å²	80.2	96%	0.958	43%	0.43	S	S	*	.	S	Bend	trans	-68.1	-17.5	169	-176.4	0	0	0	0	111.1
36	V	60.3	Low	72.6	Confident	115 Å²	115	81 Å²	81	70%	0.697	44%	0.435	S	S	*	.	S	Bend	trans	-88.4	136.5	178.1	-173.7	0	0	0	0	110	T34 T38	T34-V36 PolarHBondContact O-N 3.38Å; V36-T38 PolarHBondContact O-N 3.15Å; V36-T38 PolarHBondContact O-OG1 3.03Å
37	K	60.9	Low	71.6	Confident	156 Å²	156	86.6 Å²	86.6	68%	0.678	47%	0.467	S	S	*	.			trans	-41.1	101.9	173.5	-165.2	177.4	-172.1	-71.2	0	110
38	T	67.6	Low	70.2	Confident	42 Å²	42	89.4 Å²	89.4	26%	0.258	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-71.4	136.1	179.5	-57.3	0	0	0	0	107.9	Y28 N31 T34 V36	Y28-T38 WeakPolarHBondContact CE1-O 3.28Å; N31-T38 VanDerWaalsContact ND2-CG2 3.34Å; N31-T38 WeakPolarHBondContact ND2-CG2 3.5Å; N31-T38 PolarHBondContact ND2-OG1 2.93Å; N31-T38 PolarHBondContact OD1-OG1 2.99Å; T34-T38 PolarHBondContact OG1-OG1 2.91Å; V36-T38 PolarHBondContact O-N 3.15Å; V36-T38 PolarHBondContact O-OG1 3.03Å
39	P	76.3	Confident	68.8	Low	100 Å²	100	92.7 Å²	92.7	65%	0.649	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-56.5	147.1	172.2	24.8	-33.9	0	0	0	110
40	P	77.4	Confident	67.5	Low	35 Å²	35	92.4 Å²	92.4	23%	0.227	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-59.1	143	174.2	27.3	-34.3	0	0	0	109.6	E26 V27 Y28 N42 T43	E26-P40 HydrophobicContact CB-CB 4.03Å; E26-P40 HydrophobicContact CB-CG 4.42Å; E26-P40 HydrophobicContact CG-CB 4.46Å; E26-P40 HydrophobicContact CG-CG 4.31Å; V27-P40 CarbonylContact O-C 3.55Å; V27-P40 VanDerWaalsContact O-CA 3.31Å; V27-P40 WeakPolarHBondContact O-CA 3.38Å; V27-P40 WeakPolarHBondContact O-CB 3.49Å; Y28-P40 HydrophobicContact CD1-CB 4.45Å; Y28-P40 HydrophobicContact CE1-CB 4.22Å; Y28-P40 HydrophobicContact CE2-CB 4.47Å; P40-N42 VanDerWaalsContact C-N 3.31Å; P40-T43 VanDerWaalsContact CG-OG1 3.28Å; P40-T43 WeakPolarHBondContact CG-OG1 3.38Å
41	I	79.2	Confident	67	Low	84 Å²	84	90 Å²	90	43%	0.431	54%	0.539	S	S	.	.	S	Bend	trans	-64.6	-44.3	175.2	-57.7	167.9	0	0	0	109.5	V27 Q29	V27-I41 PolarHBondContact O-N 2.98Å; Q29-I41 HydrophobicContact CB-CD1 3.28Å; Q29-I41 HydrophobicContact CB-CG1 4.16Å; Q29-I41 HydrophobicContact CG-CD1 3.44Å; Q29-I41 VanDerWaalsContact CG-CD1 3.44Å; Q29-I41 VanDerWaalsContact OE1-CD1 3.29Å
42	N	78	Confident	67.1	Low	56 Å²	56	89.5 Å²	89.5	30%	0.299	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135.4	-179.3	-75.6	-16.7	0	0	0	109.6	H11 V27 P40 F44	H11-N42 PolarHBondContact NE2-ND2 3.5Å; V27-N42 HydrophobicContact CB-CB 4.38Å; V27-N42 PolarHBondContact N-O 3.36Å; P40-N42 VanDerWaalsContact C-N 3.31Å; N42-F44 HydrophobicContact CB-CE2 3.9Å; N42-F44 HydrophobicContact CB-CZ 4.27Å
43	T	80.2	Confident	67.8	Low	50 Å²	50	84.7 Å²	84.7	31%	0.307	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.6	171	-55.1	0	0	0	0	108.7	I25 E26 P40 F45	I25-T43 CarbonylContact O-C 3.51Å; I25-T43 WeakPolarHBondContact O-CA 3.27Å; E26-T43 HydrophobicContact CG-CG2 4.26Å; P40-T43 VanDerWaalsContact CG-OG1 3.28Å; P40-T43 WeakPolarHBondContact CG-OG1 3.38Å; T43-F45 HydrophobicContact CG2-CD1 4.35Å; T43-F45 HydrophobicContact CG2-CE1 3.85Å; T43-F45 HydrophobicContact CG2-CE2 4.06Å; T43-F45 HydrophobicContact CG2-CZ 3.69Å
44	F	81.6	Confident	68.9	Low	17 Å²	17	80.9 Å²	80.9	8%	0.075	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.5	175.7	-60.1	-90.2	0	0	0	108.4	H11 L14 Q15 A18 P24 I25 V27 N42	H11-F44 HydrophobicContact CB-CE1 4.04Å; H11-F44 HydrophobicContact CB-CZ 4.29Å; H11-F44 AromaticContact CD2-CE1 3.8Å; H11-F44 AromaticContact CD2-CZ 3.72Å; L14-F44 HydrophobicContact CB-CD1 4.34Å; L14-F44 HydrophobicContact CB-CD2 3.94Å; L14-F44 HydrophobicContact CB-CE1 4.13Å; L14-F44 HydrophobicContact CB-CE2 3.72Å; L14-F44 HydrophobicContact CB-CG 4.25Å; L14-F44 HydrophobicContact CB-CZ 3.81Å; L14-F44 HydrophobicContact CD1-CD2 4.27Å; L14-F44 HydrophobicContact CD1-CE2 3.45Å; L14-F44 VanDerWaalsContact CD1-CE2 3.45Å; L14-F44 HydrophobicContact CD1-CZ 3.81Å; L14-F44 HydrophobicContact CG-CE2 4.24Å; L14-F44 HydrophobicContact CG-CZ 4.44Å; Q15-F44 HydrophobicContact CB-CD1 4.28Å; A18-F44 HydrophobicContact CB-CB 4.12Å; P24-F44 VanDerWaalsContact CA-O 3.24Å; P24-F44 WeakPolarHBondContact CA-O 3.34Å; I25-F44 HydrophobicContact CB-CB 4.27Å; I25-F44 HydrophobicContact CB-CD2 4.24Å; I25-F44 HydrophobicContact CG2-CD2 4.45Å; I25-F44 PolarHBondContact N-O 3.05Å; I25-F44 PolarHBondContact O-N 3.27Å; V27-F44 HydrophobicContact CG2-CE2 4.01Å; N42-F44 HydrophobicContact CB-CE2 3.9Å; N42-F44 HydrophobicContact CB-CZ 4.27Å
45	F	75	Confident	70.5	Confident	147 Å²	147	79.4 Å²	79.4	65%	0.645	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-94.7	141.7	-178.2	-64.1	-79.8	0	0	0	110.8	Q15 T43	Q15-F45 PolarHBondContact NE2-O 3.11Å; T43-F45 HydrophobicContact CG2-CD1 4.35Å; T43-F45 HydrophobicContact CG2-CE1 3.85Å; T43-F45 HydrophobicContact CG2-CE2 4.06Å; T43-F45 HydrophobicContact CG2-CZ 3.69Å
46	T	67.2	Low	71.8	Confident	19 Å²	19	74.8 Å²	74.8	12%	0.117	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-91.4	153.5	158.7	171.6	0	0	0	0	108.5	S48	T46-S48 PolarHBondContact O-N 2.98Å; T46-S48 PolarHBondContact OG1-N 3.44Å
47	N	66.3	Low	73.2	Confident	156 Å²	156	70.4 Å²	70.4	83%	0.834	41%	0.411	S	S	*	.	S	Bend	trans	-67	-6.6	169.2	56.1	-18.5	0	0	0	113.2
48	S	59	Low	74.4	Confident	64 Å²	64	63.8 Å²	63.8	45%	0.448	39%	0.385	S	S	.	.	S	Bend	trans	-76.3	131.5	179.2	-163.3	0	0	0	0	112.5	T46 A50	T46-S48 PolarHBondContact O-N 2.98Å; T46-S48 PolarHBondContact OG1-N 3.44Å; S48-A50 PolarHBondContact O-N 3.34Å
49	S	55	Low	75.2	Confident	105 Å²	105	64.7 Å²	64.7	73%	0.734	38%	0.384	S	S	*	.			trans	-65	94.9	176.5	55.9	0	0	0	0	112.1	S51	S49-S51 PolarHBondContact O-N 3.04Å
50	A	55.5	Low	75.5	Confident	106 Å²	106	62.5 Å²	62.5	88%	0.876	37%	0.365	S	S	*	.	S	Bend		51	48.8	126	0	0	0	0	0	120.2	S48	S48-A50 PolarHBondContact O-N 3.34Å
51	S	63	Low	75.5	Confident	117 Å²	117	72 Å²	72	82%	0.818	40%	0.396	S	S	*	.			trans	-137.5	-10.8	164.3	-167.2	0	0	0	0	115.3	S49	S49-S51 PolarHBondContact O-N 3.04Å
52	T	69.7	Low	75.3	Confident	54 Å²	54	72.7 Å²	72.7	33%	0.331	41%	0.408	S	S	.	.	S	Bend	trans	-95	135.8	-179.3	56.8	0	0	0	0	111	V78	T52-V78 HydrophobicContact CG2-CB 4.12Å; T52-V78 HydrophobicContact CG2-CG1 4.38Å
53	A	79	Confident	75.3	Confident	24 Å²	24	74.5 Å²	74.5	20%	0.198	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-65.7	143.8	175.7	0	0	0	0	0	110.7	R23 T75	R23-A53 VanDerWaalsContact CZ-O 3.29Å; R23-A53 PolarHBondContact NE-O 2.93Å; R23-A53 PolarHBondContact NH2-O 3.31Å; A53-T75 HydrophobicContact CB-CG2 3.26Å
54	P	83.5	Confident	75.5	Confident	28 Å²	28	75.8 Å²	75.8	18%	0.182	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-65.7	152.5	-175.2	25.3	-33.6	0	0	0	112.3	R23 P24 E26	R23-P54 PolarHBondContact NH2-O 3.4Å; P24-P54 HydrophobicContact CB-CB 4.38Å; P24-P54 HydrophobicContact CG-CB 4Å; P24-P54 CarbonylContact O-C 3.44Å; P24-P54 WeakPolarHBondContact O-CA 3.45Å; P24-P54 WeakPolarHBondContact O-CB 3.47Å; E26-P54 HydrophobicContact CG-CB 3.88Å; E26-P54 HydrophobicContact CG-CG 4.24Å
55	I	85.6	Confident	75.7	Confident	35 Å²	35	78.1 Å²	78.1	18%	0.179	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	118.5	163.8	-60.2	174.5	0	0	0	106.7	Y21 R23 P24 I25 E26 L57	Y21-I55 HydrophobicContact CD2-CD1 4.44Å; Y21-I55 HydrophobicContact CG-CD1 4.43Å; R23-I55 HydrophobicContact CB-CD1 4.12Å; R23-I55 HydrophobicContact CB-CG1 4.13Å; P24-I55 PolarHBondContact O-N 3.11Å; I25-I55 CarbonylContact C-O 3.48Å; I25-I55 WeakPolarHBondContact CA-O 3.42Å; I25-I55 HydrophobicContact CG1-CB 4.27Å; E26-I55 PolarHBondContact N-O 3.5Å; I55-L57 HydrophobicContact CG2-CD2 4.33Å; I55-L57 HydrophobicContact CG2-CG 4.47Å
56	R	88.3	Confident	76.3	Confident	60 Å²	60	74.4 Å²	74.4	23%	0.226	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.5	179.2	-55.7	175.8	-177.2	152.8	5.1	109.4	E26 Y28 V68 D70	E26-R56 CarbonylContact O-C 3.57Å; E26-R56 WeakPolarHBondContact O-CA 3.34Å; E26-R56 IonicContact OE2-NE 2.66Å; Y28-R56 HydrophobicContact CD2-CB 4.34Å; Y28-R56 HydrophobicContact CE2-CB 3.98Å; Y28-R56 HydrophobicContact CE2-CG 3.97Å; R56-V68 HydrophobicContact CB-CB 3.93Å; R56-V68 HydrophobicContact CB-CG1 4.48Å; R56-V68 WeakPolarHBondContact CB-O 3.41Å; R56-V68 PolarHBondContact O-N 3.43Å; R56-D70 IonicContact CZ-OD2 3.9Å; R56-D70 IonicContact NH1-OD2 3.01Å; R56-D70 PolarHBondContact NH1-OD2 2.86Å; R56-D70 IonicContact NH2-OD2 3.87Å
57	L	88.3	Confident	77.2	Confident	24 Å²	24	77.9 Å²	77.9	13%	0.126	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	147.5	175.2	-61.3	178.4	0	0	0	109.4	L14 I25 E26 V27 Y28 I55 Y65 N66	L14-L57 HydrophobicContact CD2-CD1 3.63Å; I25-L57 HydrophobicContact CG2-CD1 3.76Å; I25-L57 HydrophobicContact CG2-CG 4.11Å; E26-L57 PolarHBondContact O-N 3.47Å; V27-L57 CarbonylContact C-O 3.57Å; V27-L57 WeakPolarHBondContact CA-O 3.3Å; V27-L57 HydrophobicContact CG2-CB 4.44Å; Y28-L57 PolarHBondContact N-O 2.96Å; I55-L57 HydrophobicContact CG2-CD2 4.33Å; I55-L57 HydrophobicContact CG2-CG 4.47Å; L57-Y65 HydrophobicContact CB-CD1 4.33Å; L57-Y65 HydrophobicContact CD1-CD1 4.26Å; L57-N66 CarbonylContact C-O 3.49Å; L57-N66 WeakPolarHBondContact CA-O 3.49Å
58	S	87.3	Confident	78.2	Confident	17 Å²	17	73.4 Å²	73.4	12%	0.119	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.6	169	51.7	0	0	0	0	109.5	Y28 H60 Y65 N66	Y28-S58 CarbonylContact O-C 3.48Å; Y28-S58 VanDerWaalsContact O-CA 3.28Å; Y28-S58 WeakPolarHBondContact O-CA 3.34Å; S58-H60 PolarHBondContact OG-NE2 2.86Å; S58-Y65 CarbonylContact O-C 3.57Å; S58-Y65 WeakPolarHBondContact O-CA 3.38Å; S58-N66 PolarHBondContact N-O 3.45Å; S58-N66 PolarHBondContact O-N 3.01Å; S58-N66 WeakPolarHBondContact OG-CB 3.28Å; S58-N66 PolarHBondContact OG-O 3.19Å
59	Y	84.8	Confident	79.4	Confident	60 Å²	60	75.3 Å²	75.3	24%	0.235	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.5	-179.6	-173.9	-123.1	0	0	0	110.4	Y28 S62 Y65	Y28-Y59 PolarHBondContact O-N 3.31Å; Y59-S62 VanDerWaalsContact CZ-CA 3.42Å; Y59-S62 VanDerWaalsContact OH-C 3.23Å; Y59-S62 WeakPolarHBondContact OH-CA 3.46Å; Y59-S62 PolarHBondContact OH-O 2.85Å; Y59-Y65 AromaticContact CD2-CD1 3.87Å; Y59-Y65 HydrophobicContact CD2-CD1 3.87Å; Y59-Y65 AromaticContact CD2-CE1 3.46Å; Y59-Y65 HydrophobicContact CD2-CE1 3.46Å; Y59-Y65 VanDerWaalsContact CD2-CE1 3.46Å; Y59-Y65 HydrophobicContact CD2-CE2 4.26Å; Y59-Y65 HydrophobicContact CD2-CG 4.43Å; Y59-Y65 AromaticContact CD2-CZ 3.67Å; Y59-Y65 HydrophobicContact CE2-CE1 4.09Å; Y59-Y65 HydrophobicContact CE2-CE2 4.23Å; Y59-Y65 AromaticContact CE2-CZ 3.8Å; Y59-Y65 HydrophobicContact CG-CE1 4.17Å
60	H	82	Confident	80.7	Confident	54 Å²	54	72.6 Å²	72.6	25%	0.25	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.2	-173.8	-72.9	-88.6	0	0	0	112.3	S58 S62 S63 H64 N66	S58-H60 PolarHBondContact OG-NE2 2.86Å; H60-S62 PolarHBondContact O-N 3.42Å; H60-S63 PolarHBondContact O-N 3.31Å; H60-H64 VanDerWaalsContact CB-CE1 3.42Å; H60-H64 WeakPolarHBondContact CB-CE1 3.5Å; H60-H64 WeakPolarHBondContact CB-NE2 3.39Å; H60-H64 AromaticContact CG-NE2 3.96Å; H60-H64 PolarHBondContact N-O 2.96Å; H60-H64 PolarHBondContact O-N 2.93Å; H60-N66 PolarHBondContact CD2-ND2 3.09Å; H60-N66 PolarHBondContact NE2-ND2 2.77Å
61	R	78.1	Confident	81.8	Confident	236 Å²	236	72.6 Å²	72.6	89%	0.891	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	32.7	170.1	-59	-174.8	-179.4	176.5	0.8	114.3	S63	R61-S63 PolarHBondContact O-N 3.39Å; R61-S63 VanDerWaalsContact O-N 3.07Å
62	S	74.3	Confident	82.6	Confident	98 Å²	98	77.4 Å²	77.4	69%	0.685	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	23.3	-176.8	-55.4	0	0	0	0	115.4	Y59 H60	Y59-S62 VanDerWaalsContact CZ-CA 3.42Å; Y59-S62 VanDerWaalsContact OH-C 3.23Å; Y59-S62 WeakPolarHBondContact OH-CA 3.46Å; Y59-S62 PolarHBondContact OH-O 2.85Å; H60-S62 PolarHBondContact O-N 3.42Å
63	S	77.2	Confident	82.8	Confident	94 Å²	94	79 Å²	79	66%	0.657	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.6	-31	-167.2	172.2	0	0	0	0	114.7	H60 R61	H60-S63 PolarHBondContact O-N 3.31Å; R61-S63 PolarHBondContact O-N 3.39Å; R61-S63 VanDerWaalsContact O-N 3.07Å
64	H	83.9	Confident	82.2	Confident	77 Å²	77	81 Å²	81	36%	0.356	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	162.3	-176.4	67.7	-84.1	0	0	0	113.3	H60 N66	H60-H64 VanDerWaalsContact CB-CE1 3.42Å; H60-H64 WeakPolarHBondContact CB-CE1 3.5Å; H60-H64 WeakPolarHBondContact CB-NE2 3.39Å; H60-H64 AromaticContact CG-NE2 3.96Å; H60-H64 PolarHBondContact N-O 2.96Å; H60-H64 PolarHBondContact O-N 2.93Å; H64-N66 PolarHBondContact CD2-OD1 3.42Å; H64-N66 PolarHBondContact NE2-ND2 2.98Å
65	Y	86.4	Confident	81.4	Confident	65 Å²	65	81.4 Å²	81.4	26%	0.255	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.4	175.5	-61.2	-85.3	0	0	0	110.1	G9 L14 V27 L57 S58 Y59	G9-Y65 WeakPolarHBondContact O-CE2 3.35Å; G9-Y65 VanDerWaalsContact O-CZ 3.23Å; G9-Y65 PolarHBondContact O-OH 3.36Å; L14-Y65 HydrophobicContact CD1-CE1 3.98Å; V27-Y65 HydrophobicContact CG1-CD1 4.44Å; V27-Y65 HydrophobicContact CG1-CE1 4.09Å; L57-Y65 HydrophobicContact CB-CD1 4.33Å; L57-Y65 HydrophobicContact CD1-CD1 4.26Å; S58-Y65 CarbonylContact O-C 3.57Å; S58-Y65 WeakPolarHBondContact O-CA 3.38Å; Y59-Y65 AromaticContact CD2-CD1 3.87Å; Y59-Y65 HydrophobicContact CD2-CD1 3.87Å; Y59-Y65 AromaticContact CD2-CE1 3.46Å; Y59-Y65 HydrophobicContact CD2-CE1 3.46Å; Y59-Y65 VanDerWaalsContact CD2-CE1 3.46Å; Y59-Y65 HydrophobicContact CD2-CE2 4.26Å; Y59-Y65 HydrophobicContact CD2-CG 4.43Å; Y59-Y65 AromaticContact CD2-CZ 3.67Å; Y59-Y65 HydrophobicContact CE2-CE1 4.09Å; Y59-Y65 HydrophobicContact CE2-CE2 4.23Å; Y59-Y65 AromaticContact CE2-CZ 3.8Å; Y59-Y65 HydrophobicContact CG-CE1 4.17Å
66	N	87.6	Confident	80.4	Confident	69 Å²	69	84.7 Å²	84.7	37%	0.369	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.4	167.6	-64.4	-36.5	0	0	0	109.6	L57 S58 H60 H64	L57-N66 CarbonylContact C-O 3.49Å; L57-N66 WeakPolarHBondContact CA-O 3.49Å; S58-N66 PolarHBondContact N-O 3.45Å; S58-N66 PolarHBondContact O-N 3.01Å; S58-N66 WeakPolarHBondContact OG-CB 3.28Å; S58-N66 PolarHBondContact OG-O 3.19Å; H60-N66 PolarHBondContact CD2-ND2 3.09Å; H60-N66 PolarHBondContact NE2-ND2 2.77Å; H64-N66 PolarHBondContact CD2-OD1 3.42Å; H64-N66 PolarHBondContact NE2-ND2 2.98Å
67	S	87.3	Confident	79	Confident	92 Å²	92	82.7 Å²	82.7	64%	0.643	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	132.7	173.4	57.4	0	0	0	0	111
68	V	86.9	Confident	77.9	Confident	62 Å²	62	83.8 Å²	83.8	38%	0.376	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	113.3	170.6	-178.9	0	0	0	0	107.5	R56	R56-V68 HydrophobicContact CB-CB 3.93Å; R56-V68 HydrophobicContact CB-CG1 4.48Å; R56-V68 WeakPolarHBondContact CB-O 3.41Å; R56-V68 PolarHBondContact O-N 3.43Å
69	V	84.5	Confident	76.9	Confident	105 Å²	105	84.9 Å²	84.9	64%	0.636	47%	0.472	S	S	*	.			trans	-107.4	134.6	-178.9	-176.5	0	0	0	0	109.1	P71	V69-P71 WeakPolarHBondContact O-CD 3.44Å
70	D	80.9	Confident	75.9	Confident	48 Å²	48	88.1 Å²	88.1	26%	0.257	49%	0.493	S	S	.	.			trans	-84.2	115	173.5	-162	-31.5	0	0	0	109.4	R56 Y72 N73	R56-D70 IonicContact CZ-OD2 3.9Å; R56-D70 IonicContact NH1-OD2 3.01Å; R56-D70 PolarHBondContact NH1-OD2 2.86Å; R56-D70 IonicContact NH2-OD2 3.87Å; D70-Y72 PolarHBondContact O-N 2.97Å; D70-Y72 PolarHBondContact OD1-N 3.39Å; D70-Y72 VanDerWaalsContact OD1-N 3.15Å; D70-N73 HydrophobicContact CB-CB 4.33Å; D70-N73 CarbonylContact O-C 3.58Å; D70-N73 PolarHBondContact O-N 3.18Å
71	P	79.6	Confident	74.5	Confident	106 Å²	106	86.9 Å²	86.9	69%	0.688	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-23.6	-178.7	27.2	-33.8	0	0	0	112.7	V69	V69-P71 WeakPolarHBondContact O-CD 3.44Å
72	Y	79.8	Confident	73.4	Confident	218 Å²	218	81.2 Å²	81.2	86%	0.855	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-12.3	-178.8	-59.1	-72.7	0	0	0	113.2	D70	D70-Y72 PolarHBondContact O-N 2.97Å; D70-Y72 PolarHBondContact OD1-N 3.39Å; D70-Y72 VanDerWaalsContact OD1-N 3.15Å
73	N	74.3	Confident	72.5	Confident	86 Å²	86	82.7 Å²	82.7	46%	0.46	49%	0.488	S	S	.	.	S	Bend	trans	-136.4	72.9	179	-170.9	17.9	0	0	0	110.4	D70 T75	D70-N73 HydrophobicContact CB-CB 4.33Å; D70-N73 CarbonylContact O-C 3.58Å; D70-N73 PolarHBondContact O-N 3.18Å; N73-T75 PolarHBondContact O-N 3.1Å
74	A	66.6	Low	71.7	Confident	68 Å²	68	85.2 Å²	85.2	56%	0.562	49%	0.49	S	S	*	.			trans	-68.6	100.1	-179	0	0	0	0	0	110.9	V76	A74-V76 HydrophobicContact CB-CG2 4.43Å; A74-V76 PolarHBondContact O-N 2.97Å
75	T	65.1	Low	70.5	Confident	36 Å²	36	85.9 Å²	85.9	22%	0.221	49%	0.492	C	S	.	.			trans	-77.7	37.2	172.5	53.1	0	0	0	0	113.4	R23 A53 N73 G77 V78	R23-T75 VanDerWaalsContact NH2-CB 3.33Å; R23-T75 PolarHBondContact NH2-OG1 3.09Å; A53-T75 HydrophobicContact CB-CG2 3.26Å; N73-T75 PolarHBondContact O-N 3.1Å; T75-G77 PolarHBondContact O-N 3.48Å; T75-V78 HydrophobicContact CG2-CG2 4.12Å; T75-V78 VanDerWaalsContact O-CG2 3.25Å; T75-V78 WeakPolarHBondContact O-CG2 3.29Å
76	V	64.4	Low	69.5	Low	104 Å²	104	88.3 Å²	88.3	63%	0.63	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	128.1	174.9	-177.8	0	0	0	0	107.6	A74 F85	A74-V76 HydrophobicContact CB-CG2 4.43Å; A74-V76 PolarHBondContact O-N 2.97Å; V76-F85 VanDerWaalsContact O-CD1 3.3Å; V76-F85 WeakPolarHBondContact O-CD1 3.27Å; V76-F85 VanDerWaalsContact O-CE1 3.31Å; V76-F85 WeakPolarHBondContact O-CE1 3.3Å
77	G	60.7	Low	68.3	Low	18 Å²	18	90.3 Å²	90.3	19%	0.186	52%	0.521	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	8.7	178.4	0	0	0	0	0	116.6	T75 G81	T75-G77 PolarHBondContact O-N 3.48Å; G77-G81 CarbonylContact C-O 3.39Å; G77-G81 VanDerWaalsContact CA-O 3.3Å; G77-G81 WeakPolarHBondContact CA-O 3.34Å
78	V	65.2	Low	67.6	Low	46 Å²	46	87.3 Å²	87.3	28%	0.279	51%	0.505	S	S	.	.	S	Bend	trans	-88.8	131.1	166.2	-66.5	0	0	0	0	110.6	R23 T52 T75	R23-V78 WeakPolarHBondContact CD-O 3.36Å; T52-V78 HydrophobicContact CG2-CB 4.12Å; T52-V78 HydrophobicContact CG2-CG1 4.38Å; T75-V78 HydrophobicContact CG2-CG2 4.12Å; T75-V78 VanDerWaalsContact O-CG2 3.25Å; T75-V78 WeakPolarHBondContact O-CG2 3.29Å
79	G	64.8	Low	67.1	Low	41 Å²	41	87.2 Å²	87.2	42%	0.423	50%	0.502	S	S	.	.	S	Bend	trans	96.3	-142.2	-176.1	0	0	0	0	0	112.9	Y21 G81	Y21-G79 VanDerWaalsContact O-CA 3.23Å; Y21-G79 WeakPolarHBondContact O-CA 3.5Å; G79-G81 PolarHBondContact O-N 2.96Å
80	L	63.5	Low	66.7	Low	128 Å²	128	85.5 Å²	85.5	67%	0.67	50%	0.498	S	S	*	.	S	Bend	trans	-77.1	32.1	174.9	-64.8	-175.8	0	0	0	113.9	M20 Y21	M20-L80 WeakPolarHBondContact O-CD1 3.35Å; M20-L80 VanDerWaalsContact O-CG 3.25Å; M20-L80 WeakPolarHBondContact O-CG 3.28Å; Y21-L80 HydrophobicContact CD1-CB 4.32Å
81	G	53.2	Low	66.7	Low	27 Å²	27	87.8 Å²	87.8	28%	0.278	51%	0.511	S	S	.	.	S	Bend	trans	-112.7	115.8	173	0	0	0	0	0	108.9	G77 G79	G77-G81 CarbonylContact C-O 3.39Å; G77-G81 VanDerWaalsContact CA-O 3.3Å; G77-G81 WeakPolarHBondContact CA-O 3.34Å; G79-G81 PolarHBondContact O-N 2.96Å
82	L	56.2	Low	66.9	Low	117 Å²	117	91.5 Å²	91.5	61%	0.613	51%	0.511	S	S	*	.	S	Bend	trans	48.1	93.3	177.4	-59.4	176.9	0	0	0	114.5	Q84 F85	L82-Q84 PolarHBondContact O-N 3.44Å; L82-F85 HydrophobicContact CB-CB 3.77Å; L82-F85 HydrophobicContact CD1-CB 4.45Å; L82-F85 HydrophobicContact CD1-CD2 4.29Å; L82-F85 HydrophobicContact CD1-CG 4.45Å; L82-F85 PolarHBondContact O-N 3.24Å
83	P	55.6	Low	67.2	Low	130 Å²	130	85.6 Å²	85.6	84%	0.844	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	131.1	168.3	-21.9	31.1	0	0	0	110.2	F85	P83-F85 PolarHBondContact O-N 3.02Å
84	Q	59.8	Low	67.9	Low	146 Å²	146	86.8 Å²	86.8	68%	0.682	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	13.6	-179.8	-55.1	-72.1	-50.2	0	0	116.6	L82 F86	L82-Q84 PolarHBondContact O-N 3.44Å; Q84-F86 HydrophobicContact CB-CE2 4.42Å; Q84-F86 WeakPolarHBondContact O-CD2 3.48Å; Q84-F86 PolarHBondContact O-N 3.35Å
85	F	58.9	Low	68.9	Low	91 Å²	91	89.8 Å²	89.8	40%	0.399	50%	0.504	S	S	.	.			trans	-74.5	91.6	167.8	-170.8	-100.3	0	0	0	110.6	V76 L82 P83	V76-F85 VanDerWaalsContact O-CD1 3.3Å; V76-F85 WeakPolarHBondContact O-CD1 3.27Å; V76-F85 VanDerWaalsContact O-CE1 3.31Å; V76-F85 WeakPolarHBondContact O-CE1 3.3Å; L82-F85 HydrophobicContact CB-CB 3.77Å; L82-F85 HydrophobicContact CD1-CB 4.45Å; L82-F85 HydrophobicContact CD1-CD2 4.29Å; L82-F85 HydrophobicContact CD1-CG 4.45Å; L82-F85 PolarHBondContact O-N 3.24Å; P83-F85 PolarHBondContact O-N 3.02Å
86	F	64.2	Low	70.2	Confident	116 Å²	116	91.1 Å²	91.1	51%	0.509	52%	0.515	S	S	.	.			trans	-90.7	125.7	165.2	-56.7	-82.9	0	0	0	108.5	Q84 G88 L89	Q84-F86 HydrophobicContact CB-CE2 4.42Å; Q84-F86 WeakPolarHBondContact O-CD2 3.48Å; Q84-F86 PolarHBondContact O-N 3.35Å; F86-G88 PolarHBondContact O-N 2.97Å; F86-L89 HydrophobicContact CB-CB 4.17Å; F86-L89 HydrophobicContact CD2-CD2 4.3Å; F86-L89 VanDerWaalsContact O-CB 3.28Å; F86-L89 WeakPolarHBondContact O-CB 3.34Å; F86-L89 PolarHBondContact O-N 3.39Å
87	P	63.9	Low	71.6	Confident	111 Å²	111	92 Å²	92	72%	0.721	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	129.4	172.2	23.2	-32	0	0	0	109.1
88	G	72.2	Confident	73.1	Confident	30 Å²	30	93.9 Å²	93.9	31%	0.309	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	-6.3	-175.1	0	0	0	0	0	115.9	F86 A90 D91 R92	F86-G88 PolarHBondContact O-N 2.97Å; G88-A90 VanDerWaalsContact C-N 3.3Å; G88-A90 PolarHBondContact O-N 3.42Å; G88-D91 PolarHBondContact O-N 3.32Å; G88-R92 VanDerWaalsContact O-CG 3.26Å; G88-R92 WeakPolarHBondContact O-CG 3.41Å; G88-R92 PolarHBondContact O-N 3.45Å
89	L	76.1	Confident	74.5	Confident	60 Å²	60	95.2 Å²	95.2	31%	0.314	53%	0.534	S	S	.	.	H	α-helix	trans	-63.1	-39.2	174.1	-176.5	65.9	0	0	0	111.6	F86 D91 R92 N93	F86-L89 HydrophobicContact CB-CB 4.17Å; F86-L89 HydrophobicContact CD2-CD2 4.3Å; F86-L89 VanDerWaalsContact O-CB 3.28Å; F86-L89 WeakPolarHBondContact O-CB 3.34Å; F86-L89 PolarHBondContact O-N 3.39Å; L89-D91 VanDerWaalsContact C-N 3.34Å; L89-D91 PolarHBondContact O-N 2.98Å; L89-R92 PolarHBondContact O-N 3.28Å; L89-N93 WeakPolarHBondContact O-CB 3.48Å; L89-N93 PolarHBondContact O-N 2.94Å; L89-N93 PolarHBondContact O-ND2 3.03Å; L89-N93 PolarHBondContact O-OD1 3.28Å
90	A	76.3	Confident	76	Confident	68 Å²	68	98.2 Å²	98.2	56%	0.562	54%	0.54	S	S	*	.	H	α-helix	trans	-58.7	-46.4	175.2	0	0	0	0	0	111.3	G88 R92 N93 L94	G88-A90 VanDerWaalsContact C-N 3.3Å; G88-A90 PolarHBondContact O-N 3.42Å; A90-R92 VanDerWaalsContact C-N 3.34Å; A90-R92 PolarHBondContact O-N 2.88Å; A90-N93 PolarHBondContact O-N 3.39Å; A90-L94 WeakPolarHBondContact O-CB 3.4Å; A90-L94 PolarHBondContact O-N 3.46Å
91	D	81.4	Confident	77.5	Confident	97 Å²	97	95.7 Å²	95.7	52%	0.519	53%	0.529	S	S	.	.	H	α-helix	trans	-63.3	-40.8	176.8	-58.4	-57	0	0	0	111.5	G88 L89 L94 M95	G88-D91 PolarHBondContact O-N 3.32Å; L89-D91 VanDerWaalsContact C-N 3.34Å; L89-D91 PolarHBondContact O-N 2.98Å; D91-L94 PolarHBondContact O-N 3.41Å; D91-M95 WeakPolarHBondContact O-CB 3.33Å; D91-M95 VanDerWaalsContact O-CG 3.26Å; D91-M95 WeakPolarHBondContact O-CG 3.43Å; D91-M95 PolarHBondContact O-N 3.36Å
92	R	82.7	Confident	79.6	Confident	184 Å²	184	97.9 Å²	97.9	69%	0.694	54%	0.541	S	S	*	.	H	α-helix	trans	-64.5	-41.9	176.5	-70.7	175.5	74.9	133.3	7.2	112.3	G88 L89 A90 M95 S96	G88-R92 VanDerWaalsContact O-CG 3.26Å; G88-R92 WeakPolarHBondContact O-CG 3.41Å; G88-R92 PolarHBondContact O-N 3.45Å; L89-R92 PolarHBondContact O-N 3.28Å; A90-R92 VanDerWaalsContact C-N 3.34Å; A90-R92 PolarHBondContact O-N 2.88Å; R92-M95 PolarHBondContact O-N 2.97Å; R92-S96 WeakPolarHBondContact O-CB 3.42Å; R92-S96 PolarHBondContact O-N 3.49Å
93	N	86.6	Confident	81.5	Confident	93 Å²	93	98 Å²	98	50%	0.497	54%	0.538	S	S	.	.	H	α-helix	trans	-65.8	-43.3	176.8	-70.2	-12.7	0	0	0	110.5	L89 A90 S96 E97	L89-N93 WeakPolarHBondContact O-CB 3.48Å; L89-N93 PolarHBondContact O-N 2.94Å; L89-N93 PolarHBondContact O-ND2 3.03Å; L89-N93 PolarHBondContact O-OD1 3.28Å; A90-N93 PolarHBondContact O-N 3.39Å; N93-S96 WeakPolarHBondContact O-CB 3.4Å; N93-S96 PolarHBondContact O-N 3.31Å; N93-E97 WeakPolarHBondContact O-CB 3.31Å; N93-E97 PolarHBondContact O-N 3.03Å
94	L	88.4	Confident	83.5	Confident	112 Å²	112	98.4 Å²	98.4	59%	0.586	53%	0.527	S	S	*	.	H	α-helix	trans	-62.5	-43	176	-176.2	66.7	0	0	0	111.7	A90 D91 E97 A98	A90-L94 WeakPolarHBondContact O-CB 3.4Å; A90-L94 PolarHBondContact O-N 3.46Å; D91-L94 PolarHBondContact O-N 3.41Å; L94-E97 PolarHBondContact O-N 2.9Å; L94-A98 VanDerWaalsContact O-CB 3.3Å; L94-A98 WeakPolarHBondContact O-CB 3.3Å; L94-A98 PolarHBondContact O-N 3.02Å
95	M	88.2	Confident	85.2	Confident	131 Å²	131	94.8 Å²	94.8	65%	0.645	51%	0.512	S	S	*	.	H	α-helix	trans	-62.2	-44.9	174.2	-74.5	178	-177.3	0	0	111.4	D91 R92 E97 A98 T99	D91-M95 WeakPolarHBondContact O-CB 3.33Å; D91-M95 VanDerWaalsContact O-CG 3.26Å; D91-M95 WeakPolarHBondContact O-CG 3.43Å; D91-M95 PolarHBondContact O-N 3.36Å; R92-M95 PolarHBondContact O-N 2.97Å; M95-E97 VanDerWaalsContact C-N 3.32Å; M95-E97 PolarHBondContact O-N 3.48Å; M95-A98 PolarHBondContact O-N 2.92Å; M95-T99 WeakPolarHBondContact O-CG2 3.26Å; M95-T99 PolarHBondContact O-N 3.45Å; M95-T99 PolarHBondContact O-OG1 3.3Å; M95-T99 VanDerWaalsContact O-OG1 3.1Å
96	S	91.4	Very high	87	Confident	64 Å²	64	93 Å²	93	45%	0.448	51%	0.514	S	S	.	.	H	α-helix	trans	-60.5	-42.8	176.5	-177	0	0	0	0	111.7	R92 N93 T99 L100	R92-S96 WeakPolarHBondContact O-CB 3.42Å; R92-S96 PolarHBondContact O-N 3.49Å; N93-S96 WeakPolarHBondContact O-CB 3.4Å; N93-S96 PolarHBondContact O-N 3.31Å; S96-T99 VanDerWaalsContact C-OG1 3.3Å; S96-T99 WeakPolarHBondContact CA-OG1 3.28Å; S96-T99 PolarHBondContact O-N 2.95Å; S96-T99 PolarHBondContact O-OG1 3Å; S96-L100 VanDerWaalsContact O-CG 3.27Å; S96-L100 WeakPolarHBondContact O-CG 3.26Å; S96-L100 PolarHBondContact O-N 2.93Å; S96-L100 VanDerWaalsContact O-N 3.09Å
97	E	94.1	Very high	88.6	Confident	122 Å²	122	93.1 Å²	93.1	57%	0.57	52%	0.519	S	S	*	.	H	α-helix	trans	-65.5	-45.8	177.1	-172.5	177.2	179.5	0	0	111	N93 L94 M95 T99 L100 V101	N93-E97 WeakPolarHBondContact O-CB 3.31Å; N93-E97 PolarHBondContact O-N 3.03Å; L94-E97 PolarHBondContact O-N 2.9Å; M95-E97 VanDerWaalsContact C-N 3.32Å; M95-E97 PolarHBondContact O-N 3.48Å; E97-T99 VanDerWaalsContact C-N 3.31Å; E97-T99 PolarHBondContact O-N 3.37Å; E97-L100 PolarHBondContact O-N 3.46Å; E97-V101 WeakPolarHBondContact O-CG2 3.3Å; E97-V101 PolarHBondContact O-N 3.17Å
98	A	93.8	Very high	90.2	Very high	57 Å²	57	93 Å²	93	47%	0.471	51%	0.509	S	S	.	.	H	α-helix	trans	-60.2	-39.2	176.6	0	0	0	0	0	112.4	L94 M95 S102	L94-A98 VanDerWaalsContact O-CB 3.3Å; L94-A98 WeakPolarHBondContact O-CB 3.3Å; L94-A98 PolarHBondContact O-N 3.02Å; M95-A98 PolarHBondContact O-N 2.92Å; A98-S102 VanDerWaalsContact O-CB 3.28Å; A98-S102 WeakPolarHBondContact O-CB 3.4Å; A98-S102 PolarHBondContact O-N 3.37Å
99	T	94.6	Very high	91.4	Very high	74 Å²	74	98.1 Å²	98.1	45%	0.454	52%	0.524	S	S	.	.	H	α-helix	trans	-64.8	-44	174.6	46.9	0	0	0	0	112	M95 S96 E97 V101 S102 E103	M95-T99 WeakPolarHBondContact O-CG2 3.26Å; M95-T99 PolarHBondContact O-N 3.45Å; M95-T99 PolarHBondContact O-OG1 3.3Å; M95-T99 VanDerWaalsContact O-OG1 3.1Å; S96-T99 VanDerWaalsContact C-OG1 3.3Å; S96-T99 WeakPolarHBondContact CA-OG1 3.28Å; S96-T99 PolarHBondContact O-N 2.95Å; S96-T99 PolarHBondContact O-OG1 3Å; E97-T99 VanDerWaalsContact C-N 3.31Å; E97-T99 PolarHBondContact O-N 3.37Å; T99-V101 PolarHBondContact O-N 3.09Å; T99-S102 PolarHBondContact O-N 3.23Å; T99-E103 WeakPolarHBondContact O-CB 3.25Å; T99-E103 WeakPolarHBondContact O-CG 3.25Å; T99-E103 PolarHBondContact O-N 3.04Å
100	L	95.6	Very high	92.4	Very high	104 Å²	104	97.8 Å²	97.8	55%	0.545	53%	0.53	S	S	.	.	H	α-helix	trans	-63.9	-41.1	178.7	-70.8	170.8	0	0	0	111.9	S96 E97 K104	S96-L100 VanDerWaalsContact O-CG 3.27Å; S96-L100 WeakPolarHBondContact O-CG 3.26Å; S96-L100 PolarHBondContact O-N 2.93Å; S96-L100 VanDerWaalsContact O-N 3.09Å; E97-L100 PolarHBondContact O-N 3.46Å; L100-K104 WeakPolarHBondContact O-CB 3.32Å; L100-K104 PolarHBondContact O-N 2.88Å
101	V	95.5	Very high	93.4	Very high	75 Å²	75	99.7 Å²	99.7	46%	0.455	53%	0.529	S	S	.	.	H	α-helix	trans	-65.1	-46.3	175.5	173.7	0	0	0	0	110.3	E97 T99 E103 K104 D105	E97-V101 WeakPolarHBondContact O-CG2 3.3Å; E97-V101 PolarHBondContact O-N 3.17Å; T99-V101 PolarHBondContact O-N 3.09Å; V101-E103 VanDerWaalsContact C-N 3.32Å; V101-E103 PolarHBondContact O-N 3.37Å; V101-K104 PolarHBondContact O-N 3.29Å; V101-D105 VanDerWaalsContact O-CG 3.28Å; V101-D105 PolarHBondContact O-N 3.37Å
102	S	95.9	Very high	94.1	Very high	74 Å²	74	101 Å²	101	52%	0.517	54%	0.535	S	S	.	.	H	α-helix	trans	-61.9	-38.3	178.5	-174	0	0	0	0	112.7	A98 T99 A106	A98-S102 VanDerWaalsContact O-CB 3.28Å; A98-S102 WeakPolarHBondContact O-CB 3.4Å; A98-S102 PolarHBondContact O-N 3.37Å; T99-S102 PolarHBondContact O-N 3.23Å; S102-A106 WeakPolarHBondContact O-CB 3.08Å; S102-A106 PolarHBondContact O-N 3.1Å
103	E	96.6	Very high	94.8	Very high	120 Å²	120	98.3 Å²	98.3	56%	0.561	53%	0.529	S	S	*	.	H	α-helix	trans	-65.9	-45.9	175.5	-76.7	177.2	-174.4	0	0	111.3	T99 V101 D105 A106 I107	T99-E103 WeakPolarHBondContact O-CB 3.25Å; T99-E103 WeakPolarHBondContact O-CG 3.25Å; T99-E103 PolarHBondContact O-N 3.04Å; V101-E103 VanDerWaalsContact C-N 3.32Å; V101-E103 PolarHBondContact O-N 3.37Å; E103-D105 VanDerWaalsContact C-N 3.34Å; E103-D105 PolarHBondContact O-N 3.38Å; E103-A106 PolarHBondContact O-N 2.73Å; E103-I107 VanDerWaalsContact O-CG1 3.29Å; E103-I107 WeakPolarHBondContact O-CG1 3.31Å; E103-I107 PolarHBondContact O-N 3.47Å
104	K	96.8	Very high	95.2	Very high	138 Å²	138	98.9 Å²	98.9	60%	0.6	53%	0.531	S	S	*	.	H	α-helix	trans	-58.1	-47.2	176.5	-179.4	-174.2	170.6	-173.4	0	111.3	L100 V101 A106 I107 E108	L100-K104 WeakPolarHBondContact O-CB 3.32Å; L100-K104 PolarHBondContact O-N 2.88Å; V101-K104 PolarHBondContact O-N 3.29Å; K104-A106 VanDerWaalsContact C-N 3.34Å; K104-A106 PolarHBondContact O-N 2.89Å; K104-I107 PolarHBondContact O-N 2.9Å; K104-E108 WeakPolarHBondContact O-CB 3.23Å; K104-E108 PolarHBondContact O-N 2.86Å
105	D	96.8	Very high	95.6	Very high	69 Å²	69	100.1 Å²	100.1	37%	0.369	53%	0.532	S	S	.	.	H	α-helix	trans	-64.5	-39.9	-179.5	-69.8	-8.8	0	0	0	111.5	V101 E103 E108 Q109	V101-D105 VanDerWaalsContact O-CG 3.28Å; V101-D105 PolarHBondContact O-N 3.37Å; E103-D105 VanDerWaalsContact C-N 3.34Å; E103-D105 PolarHBondContact O-N 3.38Å; D105-E108 PolarHBondContact O-N 2.88Å; D105-Q109 WeakPolarHBondContact O-CB 3.45Å; D105-Q109 VanDerWaalsContact O-CG 3.28Å; D105-Q109 WeakPolarHBondContact O-CG 3.46Å; D105-Q109 PolarHBondContact O-N 2.85Å
106	A	97	Very high	96	Very high	55 Å²	55	99.1 Å²	99.1	46%	0.455	53%	0.529	S	S	.	.	H	α-helix	trans	-63.5	-42	176.4	0	0	0	0	0	112	S102 E103 K104 A110	S102-A106 WeakPolarHBondContact O-CB 3.08Å; S102-A106 PolarHBondContact O-N 3.1Å; E103-A106 PolarHBondContact O-N 2.73Å; K104-A106 VanDerWaalsContact C-N 3.34Å; K104-A106 PolarHBondContact O-N 2.89Å; A106-A110 WeakPolarHBondContact O-CB 3.47Å; A106-A110 PolarHBondContact O-N 3.26Å
107	I	97.1	Very high	96.1	Very high	118 Å²	118	101.2 Å²	101.2	61%	0.605	53%	0.532	S	S	*	.	H	α-helix	trans	-64.1	-44.8	176.2	-68.4	164.4	0	0	0	110.5	E103 K104 Q109 A110 M111	E103-I107 VanDerWaalsContact O-CG1 3.29Å; E103-I107 WeakPolarHBondContact O-CG1 3.31Å; E103-I107 PolarHBondContact O-N 3.47Å; K104-I107 PolarHBondContact O-N 2.9Å; I107-Q109 PolarHBondContact O-N 2.9Å; I107-A110 PolarHBondContact O-N 3.3Å; I107-M111 WeakPolarHBondContact O-CB 3.42Å; I107-M111 PolarHBondContact O-N 3.48Å
108	E	97.6	Very high	96.1	Very high	108 Å²	108	98.1 Å²	98.1	51%	0.505	53%	0.527	S	S	.	.	H	α-helix	trans	-62.1	-44.3	179.7	-176	169.9	-174.8	0	0	111.7	K104 D105 M111 L112	K104-E108 WeakPolarHBondContact O-CB 3.23Å; K104-E108 PolarHBondContact O-N 2.86Å; D105-E108 PolarHBondContact O-N 2.88Å; E108-M111 PolarHBondContact O-N 3.33Å; E108-L112 WeakPolarHBondContact O-CB 3.34Å; E108-L112 PolarHBondContact O-N 3.47Å
109	Q	97.2	Very high	96.1	Very high	137 Å²	137	99.4 Å²	99.4	64%	0.64	53%	0.529	S	S	*	.	H	α-helix	trans	-63.7	-43.5	176.5	-71.8	175.2	34.6	0	0	112.4	D105 I107 L112 K113	D105-Q109 WeakPolarHBondContact O-CB 3.45Å; D105-Q109 VanDerWaalsContact O-CG 3.28Å; D105-Q109 WeakPolarHBondContact O-CG 3.46Å; D105-Q109 PolarHBondContact O-N 2.85Å; I107-Q109 PolarHBondContact O-N 2.9Å; Q109-L112 PolarHBondContact O-N 3.32Å; Q109-K113 WeakPolarHBondContact O-CB 3.4Å; Q109-K113 PolarHBondContact O-N 2.84Å
110	A	96.7	Very high	96.1	Very high	53 Å²	53	100.3 Å²	100.3	44%	0.438	53%	0.531	S	S	.	.	H	α-helix	trans	-61.8	-46.5	176.4	0	0	0	0	0	111.1	A106 I107 L112 K113 D114	A106-A110 WeakPolarHBondContact O-CB 3.47Å; A106-A110 PolarHBondContact O-N 3.26Å; I107-A110 PolarHBondContact O-N 3.3Å; A110-L112 PolarHBondContact O-N 3.47Å; A110-K113 PolarHBondContact O-N 3.46Å; A110-D114 PolarHBondContact O-N 3.45Å
111	M	97.3	Very high	96	Very high	109 Å²	109	104.3 Å²	104.3	54%	0.537	54%	0.539	S	S	.	.	H	α-helix	trans	-61.6	-43.8	177.2	-176.1	-178.6	64.9	0	0	112	I107 E108 K113 D114 K115	I107-M111 WeakPolarHBondContact O-CB 3.42Å; I107-M111 PolarHBondContact O-N 3.48Å; E108-M111 PolarHBondContact O-N 3.33Å; M111-K113 VanDerWaalsContact C-N 3.31Å; M111-K113 PolarHBondContact O-N 2.94Å; M111-D114 PolarHBondContact O-N 3.5Å; M111-K115 VanDerWaalsContact O-CG 3.3Å; M111-K115 WeakPolarHBondContact O-CG 3.22Å; M111-K115 PolarHBondContact O-N 2.83Å
112	L	96.4	Very high	95.9	Very high	123 Å²	123	107.3 Å²	107.3	64%	0.644	55%	0.548	S	S	*	.	H	α-helix	trans	-61.9	-41.7	178.4	-178.1	63.3	0	0	0	111.4	E108 Q109 A110 K115 L116	E108-L112 WeakPolarHBondContact O-CB 3.34Å; E108-L112 PolarHBondContact O-N 3.47Å; Q109-L112 PolarHBondContact O-N 3.32Å; A110-L112 PolarHBondContact O-N 3.47Å; L112-K115 PolarHBondContact O-N 3.47Å; L112-L116 PolarHBondContact O-N 3.48Å
113	K	96.6	Very high	95.7	Very high	129 Å²	129	106.6 Å²	106.6	56%	0.561	55%	0.546	S	S	*	.	H	α-helix	trans	-62.9	-45	176.3	-174.5	179.4	178.1	-179.3	0	111.7	Q109 A110 M111 K115 L116 Q117	Q109-K113 WeakPolarHBondContact O-CB 3.4Å; Q109-K113 PolarHBondContact O-N 2.84Å; A110-K113 PolarHBondContact O-N 3.46Å; M111-K113 VanDerWaalsContact C-N 3.31Å; M111-K113 PolarHBondContact O-N 2.94Å; K113-K115 VanDerWaalsContact C-N 3.3Å; K113-K115 PolarHBondContact O-N 3.25Å; K113-L116 PolarHBondContact O-N 3.49Å; K113-Q117 WeakPolarHBondContact O-CG 3.47Å; K113-Q117 PolarHBondContact O-N 3.23Å
114	D	96.5	Very high	95.6	Very high	104 Å²	104	104.4 Å²	104.4	56%	0.556	54%	0.541	S	S	*	.	H	α-helix	trans	-61.3	-40.1	177.1	-75.2	1	0	0	0	111.5	A110 M111 Q117 A118	A110-D114 PolarHBondContact O-N 3.45Å; M111-D114 PolarHBondContact O-N 3.5Å; D114-Q117 PolarHBondContact O-N 3.06Å; D114-A118 WeakPolarHBondContact O-CB 3.23Å; D114-A118 PolarHBondContact O-N 3.04Å
115	K	96.5	Very high	95.5	Very high	139 Å²	139	101 Å²	101	60%	0.604	53%	0.53	S	S	*	.	H	α-helix	trans	-62.9	-45.8	175.9	-70.1	-64.7	-179.4	-171.6	0	112.1	M111 L112 K113 A118 T119	M111-K115 VanDerWaalsContact O-CG 3.3Å; M111-K115 WeakPolarHBondContact O-CG 3.22Å; M111-K115 PolarHBondContact O-N 2.83Å; L112-K115 PolarHBondContact O-N 3.47Å; K113-K115 VanDerWaalsContact C-N 3.3Å; K113-K115 PolarHBondContact O-N 3.25Å; K115-A118 PolarHBondContact O-N 2.97Å; K115-T119 PolarHBondContact O-N 3.26Å; K115-T119 VanDerWaalsContact O-N 3.1Å; K115-T119 PolarHBondContact O-OG1 3.33Å
116	L	95.9	Very high	95.3	Very high	109 Å²	109	100.2 Å²	100.2	57%	0.571	53%	0.533	S	S	*	.	H	α-helix	trans	-62.4	-46.1	178.3	-176.2	64.4	0	0	0	111.2	L112 K113 A118 T119 D120	L112-L116 PolarHBondContact O-N 3.48Å; K113-L116 PolarHBondContact O-N 3.49Å; L116-A118 VanDerWaalsContact C-N 3.34Å; L116-A118 PolarHBondContact O-N 2.92Å; L116-T119 PolarHBondContact O-N 3.22Å; L116-D120 PolarHBondContact O-N 3.38Å
117	Q	94.7	Very high	95.2	Very high	108 Å²	108	104 Å²	104	51%	0.505	54%	0.541	S	S	.	.	H	α-helix	trans	-63.3	-39	178.4	-72.8	-172	-25.7	0	0	112.8	K113 D114 T119 D120 W121	K113-Q117 WeakPolarHBondContact O-CG 3.47Å; K113-Q117 PolarHBondContact O-N 3.23Å; D114-Q117 PolarHBondContact O-N 3.06Å; Q117-T119 VanDerWaalsContact C-N 3.35Å; Q117-D120 PolarHBondContact O-N 3.39Å; Q117-W121 WeakPolarHBondContact O-CB 3.2Å; Q117-W121 PolarHBondContact O-N 3.16Å
118	A	94.2	Very high	95.1	Very high	57 Å²	57	102.6 Å²	102.6	47%	0.471	53%	0.534	S	S	.	.	H	α-helix	trans	-63.2	-41.5	175.8	0	0	0	0	0	111.8	D114 K115 L116 W121 E122	D114-A118 WeakPolarHBondContact O-CB 3.23Å; D114-A118 PolarHBondContact O-N 3.04Å; K115-A118 PolarHBondContact O-N 2.97Å; L116-A118 VanDerWaalsContact C-N 3.34Å; L116-A118 PolarHBondContact O-N 2.92Å; A118-W121 PolarHBondContact O-N 3.19Å; A118-E122 WeakPolarHBondContact O-CB 3.37Å; A118-E122 PolarHBondContact O-N 3Å
119	T	92.6	Very high	94.9	Very high	85 Å²	85	102.6 Å²	102.6	52%	0.521	53%	0.534	S	S	.	.	H	α-helix	trans	-64.8	-43	175.7	-60.7	0	0	0	0	112.2	K115 L116 Q117 W121 E122 A123	K115-T119 PolarHBondContact O-N 3.26Å; K115-T119 VanDerWaalsContact O-N 3.1Å; K115-T119 PolarHBondContact O-OG1 3.33Å; L116-T119 PolarHBondContact O-N 3.22Å; Q117-T119 VanDerWaalsContact C-N 3.35Å; T119-W121 VanDerWaalsContact C-N 3.31Å; T119-W121 PolarHBondContact O-N 3.38Å; T119-E122 PolarHBondContact O-N 2.95Å; T119-A123 PolarHBondContact O-N 3.15Å
120	D	94.7	Very high	94.8	Very high	93 Å²	93	102.4 Å²	102.4	50%	0.497	53%	0.534	S	S	.	.	H	α-helix	trans	-62.8	-39.3	176.4	-72.6	-16.9	0	0	0	111.6	L116 Q117 T124	L116-D120 PolarHBondContact O-N 3.38Å; Q117-D120 PolarHBondContact O-N 3.39Å; D120-T124 PolarHBondContact O-N 3.21Å; D120-T124 VanDerWaalsContact O-N 3.09Å; D120-T124 PolarHBondContact O-OG1 2.92Å
121	W	92.7	Very high	94.7	Very high	188 Å²	188	104.9 Å²	104.9	71%	0.712	54%	0.536	S	S	*	.	H	α-helix	trans	-64.7	-46.5	175.8	-174.4	-96.9	0	0	0	112.1	Q117 A118 T119 A123 T124 D125	Q117-W121 WeakPolarHBondContact O-CB 3.2Å; Q117-W121 PolarHBondContact O-N 3.16Å; A118-W121 PolarHBondContact O-N 3.19Å; T119-W121 VanDerWaalsContact C-N 3.31Å; T119-W121 PolarHBondContact O-N 3.38Å; W121-A123 VanDerWaalsContact C-N 3.33Å; W121-A123 PolarHBondContact O-N 3.37Å; W121-T124 PolarHBondContact O-N 2.79Å; W121-D125 WeakPolarHBondContact O-CB 3.29Å; W121-D125 PolarHBondContact O-N 2.76Å
122	E	93.8	Very high	94.6	Very high	138 Å²	138	106.2 Å²	106.2	65%	0.645	54%	0.541	S	S	*	.	H	α-helix	trans	-61.1	-40.8	178.1	-175.4	175.4	-172.2	0	0	111.9	A118 T119 T124 D125 A126	A118-E122 WeakPolarHBondContact O-CB 3.37Å; A118-E122 PolarHBondContact O-N 3Å; T119-E122 PolarHBondContact O-N 2.95Å; E122-T124 PolarHBondContact O-N 2.88Å; E122-D125 PolarHBondContact O-N 2.85Å; E122-A126 WeakPolarHBondContact O-CB 3.44Å; E122-A126 PolarHBondContact O-N 3Å
123	A	93	Very high	94.5	Very high	58 Å²	58	107.3 Å²	107.3	48%	0.479	54%	0.538	S	S	.	.	H	α-helix	trans	-63.5	-41.3	175.4	0	0	0	0	0	112.2	T119 W121 Q127	T119-A123 PolarHBondContact O-N 3.15Å; W121-A123 VanDerWaalsContact C-N 3.33Å; W121-A123 PolarHBondContact O-N 3.37Å; A123-Q127 WeakPolarHBondContact O-CB 3.46Å; A123-Q127 PolarHBondContact O-N 2.84Å; A123-Q127 VanDerWaalsContact O-N 3.11Å
124	T	92.7	Very high	94.5	Very high	74 Å²	74	106 Å²	106	45%	0.454	54%	0.536	S	S	.	.	H	α-helix	trans	-68.3	-43.4	178.5	-55.1	0	0	0	0	111.4	D120 W121 E122 Q127 L128	D120-T124 PolarHBondContact O-N 3.21Å; D120-T124 VanDerWaalsContact O-N 3.09Å; D120-T124 PolarHBondContact O-OG1 2.92Å; W121-T124 PolarHBondContact O-N 2.79Å; E122-T124 PolarHBondContact O-N 2.88Å; T124-Q127 PolarHBondContact O-N 3.15Å; T124-L128 HydrophobicContact CG2-CD1 4.28Å; T124-L128 WeakPolarHBondContact O-CG 3.21Å; T124-L128 PolarHBondContact O-N 3.42Å
125	D	95.4	Very high	94.4	Very high	67 Å²	67	104.4 Å²	104.4	36%	0.358	53%	0.528	S	S	.	.	H	α-helix	trans	-62.4	-44.8	177.7	-175.8	58.6	0	0	0	111.4	W121 E122 Q127 L128 Q129	W121-D125 WeakPolarHBondContact O-CB 3.29Å; W121-D125 PolarHBondContact O-N 2.76Å; E122-D125 PolarHBondContact O-N 2.85Å; D125-Q127 VanDerWaalsContact C-N 3.34Å; D125-Q127 PolarHBondContact O-N 2.97Å; D125-L128 PolarHBondContact O-N 2.91Å; D125-Q129 VanDerWaalsContact CG-NE2 3.32Å; D125-Q129 WeakPolarHBondContact O-CB 3.42Å; D125-Q129 VanDerWaalsContact O-CG 3.28Å; D125-Q129 WeakPolarHBondContact O-CG 3.49Å; D125-Q129 PolarHBondContact O-N 3.18Å; D125-Q129 PolarHBondContact OD1-NE2 3.32Å; D125-Q129 PolarHBondContact OD2-NE2 3.48Å
126	A	93.7	Very high	94.3	Very high	53 Å²	53	101.4 Å²	101.4	44%	0.438	52%	0.524	S	S	.	.	H	α-helix	trans	-61.7	-40.5	175.7	0	0	0	0	0	112.6	E122 Q130	E122-A126 WeakPolarHBondContact O-CB 3.44Å; E122-A126 PolarHBondContact O-N 3Å; A126-Q130 WeakPolarHBondContact O-CB 3.28Å; A126-Q130 PolarHBondContact O-N 2.91Å
127	Q	93.9	Very high	94.3	Very high	133 Å²	133	99.6 Å²	99.6	62%	0.621	52%	0.515	S	S	*	.	H	α-helix	trans	-66.6	-42.2	177.4	-175	175.9	-18.5	0	0	111.8	A123 T124 D125 Q130 Q131	A123-Q127 WeakPolarHBondContact O-CB 3.46Å; A123-Q127 PolarHBondContact O-N 2.84Å; A123-Q127 VanDerWaalsContact O-N 3.11Å; T124-Q127 PolarHBondContact O-N 3.15Å; D125-Q127 VanDerWaalsContact C-N 3.34Å; D125-Q127 PolarHBondContact O-N 2.97Å; Q127-Q130 PolarHBondContact O-N 2.66Å; Q127-Q131 PolarHBondContact O-N 3.45Å
128	L	94.9	Very high	94.2	Very high	89 Å²	89	100.3 Å²	100.3	47%	0.466	52%	0.516	S	S	.	.	H	α-helix	trans	-62	-47.8	175.6	-77.5	170.9	0	0	0	111.3	T124 D125 Q130 Q131 E132	T124-L128 HydrophobicContact CG2-CD1 4.28Å; T124-L128 WeakPolarHBondContact O-CG 3.21Å; T124-L128 PolarHBondContact O-N 3.42Å; D125-L128 PolarHBondContact O-N 2.91Å; L128-Q130 VanDerWaalsContact C-N 3.29Å; L128-Q130 PolarHBondContact O-N 3.38Å; L128-Q131 PolarHBondContact O-N 2.96Å; L128-Q131 VanDerWaalsContact O-N 3.15Å; L128-E132 WeakPolarHBondContact O-CB 3.32Å; L128-E132 WeakPolarHBondContact O-CG 3.32Å; L128-E132 PolarHBondContact O-N 3.39Å
129	Q	94.4	Very high	94.2	Very high	108 Å²	108	104.5 Å²	104.5	51%	0.505	52%	0.524	S	S	.	.	H	α-helix	trans	-59.4	-40.2	177.9	-72	173	16.6	0	0	112.3	D125 Y133	D125-Q129 VanDerWaalsContact CG-NE2 3.32Å; D125-Q129 WeakPolarHBondContact O-CB 3.42Å; D125-Q129 VanDerWaalsContact O-CG 3.28Å; D125-Q129 WeakPolarHBondContact O-CG 3.49Å; D125-Q129 PolarHBondContact O-N 3.18Å; D125-Q129 PolarHBondContact OD1-NE2 3.32Å; D125-Q129 PolarHBondContact OD2-NE2 3.48Å; Q129-Y133 WeakPolarHBondContact O-CB 3.43Å; Q129-Y133 PolarHBondContact O-N 3.31Å
130	Q	94.8	Very high	94.2	Very high	133 Å²	133	109.9 Å²	109.9	62%	0.621	53%	0.534	S	S	*	.	H	α-helix	trans	-64.9	-43.1	176.8	-172	176.7	22.2	0	0	111.7	A126 Q127 L128 Y133 L134	A126-Q130 WeakPolarHBondContact O-CB 3.28Å; A126-Q130 PolarHBondContact O-N 2.91Å; Q127-Q130 PolarHBondContact O-N 2.66Å; L128-Q130 VanDerWaalsContact C-N 3.29Å; L128-Q130 PolarHBondContact O-N 3.38Å; Q130-Y133 PolarHBondContact O-N 2.82Å; Q130-L134 WeakPolarHBondContact O-CG 3.33Å; Q130-L134 PolarHBondContact O-N 3.06Å; Q130-L134 VanDerWaalsContact O-N 3.11Å
131	Q	93.4	Very high	94	Very high	106 Å²	106	112.1 Å²	112.1	50%	0.495	54%	0.54	S	S	.	.	H	α-helix	trans	-65.9	-45.9	178.1	-173.8	174.2	-2.2	0	0	111.5	Q127 L128 Y133 L134 D135	Q127-Q131 PolarHBondContact O-N 3.45Å; L128-Q131 PolarHBondContact O-N 2.96Å; L128-Q131 VanDerWaalsContact O-N 3.15Å; Q131-Y133 VanDerWaalsContact C-N 3.28Å; Q131-Y133 PolarHBondContact O-N 3.12Å; Q131-L134 PolarHBondContact O-N 2.88Å; Q131-D135 WeakPolarHBondContact O-CB 3.41Å; Q131-D135 PolarHBondContact O-N 3.36Å
132	E	95.2	Very high	93.9	Very high	136 Å²	136	107.1 Å²	107.1	64%	0.636	52%	0.524	S	S	*	.	H	α-helix	trans	-58.9	-40	176.4	-73.3	-169.5	161	0	0	112.1	L128 D135 S136	L128-E132 WeakPolarHBondContact O-CB 3.32Å; L128-E132 WeakPolarHBondContact O-CG 3.32Å; L128-E132 PolarHBondContact O-N 3.39Å; E132-D135 PolarHBondContact O-N 3.4Å; E132-S136 VanDerWaalsContact O-CB 3.27Å; E132-S136 WeakPolarHBondContact O-CB 3.41Å; E132-S136 PolarHBondContact O-N 3.31Å
133	Y	95.9	Very high	93.7	Very high	147 Å²	147	107.1 Å²	107.1	58%	0.576	52%	0.522	S	S	*	.	H	α-helix	trans	-61.7	-47.6	175.1	179.2	-102.3	0	0	0	112	Q129 Q130 Q131 S136 L137	Q129-Y133 WeakPolarHBondContact O-CB 3.43Å; Q129-Y133 PolarHBondContact O-N 3.31Å; Q130-Y133 PolarHBondContact O-N 2.82Å; Q131-Y133 VanDerWaalsContact C-N 3.28Å; Q131-Y133 PolarHBondContact O-N 3.12Å; Y133-S136 PolarHBondContact O-N 3.02Å; Y133-L137 HydrophobicContact CD1-CD1 4.05Å; Y133-L137 HydrophobicContact CE1-CD1 3.44Å; Y133-L137 VanDerWaalsContact CE1-CD1 3.44Å; Y133-L137 HydrophobicContact CE1-CG 4.21Å; Y133-L137 WeakPolarHBondContact O-CG 3.48Å; Y133-L137 PolarHBondContact O-N 3.42Å
134	L	95.8	Very high	93.3	Very high	100 Å²	100	107.8 Å²	107.8	52%	0.524	52%	0.523	S	S	.	.	H	α-helix	trans	-63.6	-42.7	178.1	-69.6	175.4	0	0	0	112.2	Q130 Q131 S136 L137 K138	Q130-L134 WeakPolarHBondContact O-CG 3.33Å; Q130-L134 PolarHBondContact O-N 3.06Å; Q130-L134 VanDerWaalsContact O-N 3.11Å; Q131-L134 PolarHBondContact O-N 2.88Å; L134-S136 VanDerWaalsContact C-N 3.34Å; L134-L137 PolarHBondContact O-N 3.16Å; L134-K138 WeakPolarHBondContact O-CB 3.07Å; L134-K138 PolarHBondContact O-N 3.07Å
135	D	94.9	Very high	92.9	Very high	72 Å²	72	110.5 Å²	110.5	39%	0.385	53%	0.531	S	S	.	.	H	α-helix	trans	-65.1	-38.8	177.9	-76	-19.1	0	0	0	111.8	Q131 E132 K138 K139	Q131-D135 WeakPolarHBondContact O-CB 3.41Å; Q131-D135 PolarHBondContact O-N 3.36Å; E132-D135 PolarHBondContact O-N 3.4Å; D135-K138 PolarHBondContact O-N 3.3Å; D135-K139 WeakPolarHBondContact O-CB 3.35Å; D135-K139 WeakPolarHBondContact O-CG 3.35Å; D135-K139 PolarHBondContact O-N 2.99Å
136	S	94.6	Very high	92.2	Very high	76 Å²	76	112.9 Å²	112.9	53%	0.531	54%	0.544	S	S	.	.	H	α-helix	trans	-62.6	-44.5	174.2	-176.9	0	0	0	0	111.9	E132 Y133 L134 K138 K139 R140	E132-S136 VanDerWaalsContact O-CB 3.27Å; E132-S136 WeakPolarHBondContact O-CB 3.41Å; E132-S136 PolarHBondContact O-N 3.31Å; Y133-S136 PolarHBondContact O-N 3.02Å; L134-S136 VanDerWaalsContact C-N 3.34Å; S136-K138 PolarHBondContact O-N 2.98Å; S136-K139 PolarHBondContact O-N 2.8Å; S136-R140 WeakPolarHBondContact O-CB 3.19Å; S136-R140 PolarHBondContact O-N 3.01Å
137	L	94.5	Very high	91.4	Very high	70 Å²	70	115.9 Å²	115.9	37%	0.366	55%	0.549	S	S	.	.	H	α-helix	trans	-62.5	-41.9	174.8	-71.4	-179.1	0	0	0	112.2	Y133 L134 R140 K141	Y133-L137 HydrophobicContact CD1-CD1 4.05Å; Y133-L137 HydrophobicContact CE1-CD1 3.44Å; Y133-L137 VanDerWaalsContact CE1-CD1 3.44Å; Y133-L137 HydrophobicContact CE1-CG 4.21Å; Y133-L137 WeakPolarHBondContact O-CG 3.48Å; Y133-L137 PolarHBondContact O-N 3.42Å; L134-L137 PolarHBondContact O-N 3.16Å; L137-R140 PolarHBondContact O-N 3.29Å; L137-K141 WeakPolarHBondContact O-CG 3.21Å; L137-K141 PolarHBondContact O-N 2.8Å
138	K	94.3	Very high	90.6	Very high	124 Å²	124	112.5 Å²	112.5	54%	0.539	54%	0.543	S	S	.	.	H	α-helix	trans	-63.5	-50.1	178.1	-169.4	-175.4	-179.4	-159.8	0	111.3	L134 D135 S136 R140 K141 E142	L134-K138 WeakPolarHBondContact O-CB 3.07Å; L134-K138 PolarHBondContact O-N 3.07Å; D135-K138 PolarHBondContact O-N 3.3Å; S136-K138 PolarHBondContact O-N 2.98Å; K138-R140 VanDerWaalsContact C-N 3.25Å; K138-R140 PolarHBondContact O-N 2.78Å; K138-K141 PolarHBondContact O-N 2.87Å; K138-K141 VanDerWaalsContact O-N 3.09Å; K138-E142 WeakPolarHBondContact CE-OE1 3.35Å; K138-E142 IonicContact NZ-OE1 3.94Å; K138-E142 WeakPolarHBondContact O-CG 3.37Å; K138-E142 PolarHBondContact O-N 2.97Å
139	K	93.6	Very high	89.2	Confident	144 Å²	144	110.2 Å²	110.2	63%	0.626	54%	0.542	S	S	*	.	H	α-helix	trans	-56.9	-37.7	175	-75.9	174.6	-179.1	170.7	0	112.4	D135 S136 K143	D135-K139 WeakPolarHBondContact O-CB 3.35Å; D135-K139 WeakPolarHBondContact O-CG 3.35Å; D135-K139 PolarHBondContact O-N 2.99Å; S136-K139 PolarHBondContact O-N 2.8Å; K139-K143 WeakPolarHBondContact O-CB 3.19Å; K139-K143 PolarHBondContact O-N 2.91Å
140	R	92	Very high	87.5	Confident	198 Å²	198	109.4 Å²	109.4	75%	0.747	55%	0.547	S	S	*	.	H	α-helix	trans	-67.2	-39.9	177.2	-165.2	179.2	-157.1	-153.8	4.8	112.3	S136 L137 K138 S144	S136-R140 WeakPolarHBondContact O-CB 3.19Å; S136-R140 PolarHBondContact O-N 3.01Å; L137-R140 PolarHBondContact O-N 3.29Å; K138-R140 VanDerWaalsContact C-N 3.25Å; K138-R140 PolarHBondContact O-N 2.78Å; R140-S144 PolarHBondContact O-N 3.1Å; R140-S144 VanDerWaalsContact O-N 3.09Å; R140-S144 PolarHBondContact O-OG 3.37Å
141	K	91	Very high	85.7	Confident	140 Å²	140	107 Å²	107	61%	0.609	54%	0.544	S	S	*	.	H	α-helix	trans	-66.4	-49.7	175.7	-75.2	-178.3	179.5	178.4	0	111.5	L137 K138 K143 S144 E145	L137-K141 WeakPolarHBondContact O-CG 3.21Å; L137-K141 PolarHBondContact O-N 2.8Å; K138-K141 PolarHBondContact O-N 2.87Å; K138-K141 VanDerWaalsContact O-N 3.09Å; K141-K143 VanDerWaalsContact C-N 3.29Å; K141-K143 PolarHBondContact O-N 3.1Å; K141-S144 WeakPolarHBondContact CA-OG 3.24Å; K141-S144 PolarHBondContact O-N 2.85Å; K141-S144 PolarHBondContact O-OG 2.99Å; K141-E145 WeakPolarHBondContact O-CG 3.31Å; K141-E145 PolarHBondContact O-N 3.2Å
142	E	91.2	Very high	84	Confident	83 Å²	83	106 Å²	106	39%	0.388	55%	0.55	S	S	.	.	H	α-helix	trans	-54.4	-47.5	176.2	-71.1	171.5	174	0	0	110.4	K138 S144 E145 D146	K138-E142 WeakPolarHBondContact CE-OE1 3.35Å; K138-E142 IonicContact NZ-OE1 3.94Å; K138-E142 WeakPolarHBondContact O-CG 3.37Å; K138-E142 PolarHBondContact O-N 2.97Å; E142-S144 VanDerWaalsContact C-N 3.34Å; E142-S144 PolarHBondContact O-N 3.03Å; E142-E145 PolarHBondContact O-N 2.84Å; E142-E145 VanDerWaalsContact O-N 3.13Å; E142-D146 PolarHBondContact O-N 2.77Å
143	K	87.8	Confident	82.3	Confident	138 Å²	138	104.7 Å²	104.7	60%	0.6	56%	0.555	S	S	*	*	H	α-helix	trans	-60.1	-39.1	175.5	-170.6	174.4	-177.5	178.4	0	113.5	K139 K141 E147	K139-K143 WeakPolarHBondContact O-CB 3.19Å; K139-K143 PolarHBondContact O-N 2.91Å; K141-K143 VanDerWaalsContact C-N 3.29Å; K141-K143 PolarHBondContact O-N 3.1Å; K143-E147 WeakPolarHBondContact O-CG 3.43Å; K143-E147 PolarHBondContact O-N 2.87Å; K143-E147 VanDerWaalsContact O-N 3.15Å
144	S	85.5	Confident	80.3	Confident	72 Å²	72	102.4 Å²	102.4	50%	0.503	56%	0.561	S	S	.	*	H	α-helix	trans	-70	-32	176.8	62.7	0	0	0	0	113.3	R140 K141 E142 A148	R140-S144 PolarHBondContact O-N 3.1Å; R140-S144 VanDerWaalsContact O-N 3.09Å; R140-S144 PolarHBondContact O-OG 3.37Å; K141-S144 WeakPolarHBondContact CA-OG 3.24Å; K141-S144 PolarHBondContact O-N 2.85Å; K141-S144 PolarHBondContact O-OG 2.99Å; E142-S144 VanDerWaalsContact C-N 3.34Å; E142-S144 PolarHBondContact O-N 3.03Å; S144-A148 WeakPolarHBondContact O-CB 3.34Å; S144-A148 PolarHBondContact O-N 2.9Å; S144-A148 VanDerWaalsContact O-N 3.14Å
145	E	83.9	Confident	77.9	Confident	132 Å²	132	108 Å²	108	62%	0.617	58%	0.575	S	S	*	*	H	α-helix	trans	-70.6	-42.4	175.3	-70.4	174.9	171.8	0	0	110.9	K141 E142 E147 A148 G149	K141-E145 WeakPolarHBondContact O-CG 3.31Å; K141-E145 PolarHBondContact O-N 3.2Å; E142-E145 PolarHBondContact O-N 2.84Å; E142-E145 VanDerWaalsContact O-N 3.13Å; E145-E147 PolarHBondContact O-N 3.18Å; E145-A148 PolarHBondContact O-N 3.25Å; E145-G149 PolarHBondContact O-N 3.01Å
146	D	81.5	Confident	76	Confident	117 Å²	117	112.5 Å²	112.5	63%	0.626	60%	0.598	S	S	*	*	H	α-helix	trans	-62	-42.8	175.9	-68.9	-29.1	0	0	0	112.3	E142 G149 C150	E142-D146 PolarHBondContact O-N 2.77Å; D146-G149 PolarHBondContact O-N 3.41Å; D146-C150 WeakPolarHBondContact O-CB 3.28Å; D146-C150 PolarHBondContact O-N 3.18Å
147	E	77.5	Confident	73.7	Confident	115 Å²	115	120 Å²	120	54%	0.537	63%	0.632	S	S	.	*	H	α-helix	trans	-67	-37.4	177.4	-67.8	-80.2	179.7	0	0	112.3	K143 E145 S151	K143-E147 WeakPolarHBondContact O-CG 3.43Å; K143-E147 PolarHBondContact O-N 2.87Å; K143-E147 VanDerWaalsContact O-N 3.15Å; E145-E147 PolarHBondContact O-N 3.18Å; E147-S151 PolarHBondContact O-N 3.16Å; E147-S151 VanDerWaalsContact O-N 3.1Å; E147-S151 PolarHBondContact O-OG 2.95Å
148	A	76.1	Confident	72.6	Confident	62 Å²	62	122.6 Å²	122.6	51%	0.512	65%	0.645	S	S	.	*	H	α-helix	trans	-68.4	-37.2	174.1	0	0	0	0	0	112.1	S144 E145 S152	S144-A148 WeakPolarHBondContact O-CB 3.34Å; S144-A148 PolarHBondContact O-N 2.9Å; S144-A148 VanDerWaalsContact O-N 3.14Å; E145-A148 PolarHBondContact O-N 3.25Å; A148-S152 PolarHBondContact O-N 2.59Å; A148-S152 PolarHBondContact O-OG 3.16Å
149	G	65.8	Low	71.5	Confident	42 Å²	42	122.5 Å²	122.5	43%	0.433	65%	0.651	S	S	.	*	H	α-helix	trans	-65.9	-40.9	173.7	0	0	0	0	0	113	E145 D146 S152 S153	E145-G149 PolarHBondContact O-N 3.01Å; D146-G149 PolarHBondContact O-N 3.41Å; G149-S152 PolarHBondContact O-N 3.17Å; G149-S152 PolarHBondContact O-OG 2.97Å; G149-S153 PolarHBondContact O-N 2.87Å
150	C	58	Low	70.3	Confident	90 Å²	90	121.3 Å²	121.3	61%	0.608	65%	0.652	S	S	*	*	H	α-helix	trans	-70.1	-39.2	178.9	-167.8	0	0	0	0	112.5	D146 S152 S153	D146-C150 WeakPolarHBondContact O-CB 3.28Å; D146-C150 PolarHBondContact O-N 3.18Å; C150-S152 VanDerWaalsContact C-N 3.29Å; C150-S152 PolarHBondContact O-N 3.37Å; C150-S153 PolarHBondContact O-N 3.41Å
151	S	58.3	Low	69	Low	82 Å²	82	116.8 Å²	116.8	57%	0.573	65%	0.646	S	S	*	*	H	α-helix	trans	-69.1	-23.3	177.7	-68.5	0	0	0	0	114	E147 S154	E147-S151 PolarHBondContact O-N 3.16Å; E147-S151 VanDerWaalsContact O-N 3.1Å; E147-S151 PolarHBondContact O-OG 2.95Å; S151-S154 PolarHBondContact O-OG 2.82Å
152	S	56.6	Low	67.6	Low	87 Å²	87	115.3 Å²	115.3	61%	0.608	65%	0.649	S	S	*	*	H	α-helix	trans	-83.2	-17.8	174.6	40.8	0	0	0	0	113	A148 G149 C150	A148-S152 PolarHBondContact O-N 2.59Å; A148-S152 PolarHBondContact O-OG 3.16Å; G149-S152 PolarHBondContact O-N 3.17Å; G149-S152 PolarHBondContact O-OG 2.97Å; C150-S152 VanDerWaalsContact C-N 3.29Å; C150-S152 PolarHBondContact O-N 3.37Å
153	S	58.7	Low	66	Low	107 Å²	107	117.5 Å²	117.5	75%	0.748	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-3.5	177.6	-165.4	0	0	0	0	114.7	G149 C150	G149-S153 PolarHBondContact O-N 2.87Å; C150-S153 PolarHBondContact O-N 3.41Å
154	S	53.8	Low	64.5	Low	100 Å²	100	116 Å²	116	70%	0.699	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	18.3	177.5	62.1	0	0	0	0	114.4	S151	S151-S154 PolarHBondContact O-OG 2.82Å
155	R	47.2	Very low	62.9	Low	217 Å²	217	119.4 Å²	119.4	82%	0.819	68%	0.684	S	S	*	*			trans	-121	101.7	172.6	-105.1	178.9	169.1	144.8	-3	110.1
156	I	53.6	Low	61.1	Low	167 Å²	167	118.3 Å²	118.3	86%	0.856	69%	0.689	S	S	*	*				165.6	124.5	128.8	-80.4	153.7	0	0	0	107.3
157	D	46.1	Very low	59.2	Low	234 Å²	234	118.5 Å²	118.5	100%	1.251	70%	0.695	S	S	*	*			trans	-48.9	0	173.6	-64.9	-76.6	0	0	0	115.4

Retrieved 157 of 157 residues in 162.3 ms (Link to these results)

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