A0A077ZE57_TRITR Loading...

histone deacetylase

AlphaFold DB , UniProt , Accession A0A077ZE57, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 139 aa.

						>A0A077ZE57_TRITR|A0A077ZE57
MERKKLEKDCDQYDSIYQRRRSSECASSVCRFVLVVARVGVEGKCASSVALVRPPGHHAMKNESNGFCFFNNVGIGATFALNHLAAKRILIIDSDVLYGQGLKKPFTGARHPLLFSPQELIGDLSAIHKRTRREWHWQL
					

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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	70.3	Confident	89	Confident	110 Å²	110	104.7 Å²	104.7	54%	0.542	48%	0.48	S	S	.	.				0	129.7	0	-159.7	178.9	-78.3	0	0	108.6	K5 L6	M1-K5 HydrophobicContact CG-CB 4.09Å; M1-K5 HydrophobicContact CG-CD 3.84Å; M1-K5 HydrophobicContact CG-CG 4.04Å; M1-K5 HydrophobicContact SD-CB 4.48Å; M1-K5 HydrophobicContact SD-CD 4.11Å; M1-K5 HydrophobicContact SD-CG 4.01Å; M1-L6 HydrophobicContact CB-CD2 4.31Å; M1-L6 HydrophobicContact CB-CG 4.29Å; M1-L6 HydrophobicContact CG-CD2 4.12Å; M1-L6 HydrophobicContact CG-CG 4.03Å; M1-L6 HydrophobicContact SD-CD2 3.22Å; M1-L6 WeakPolarHBondContact SD-CD2 3.43Å; M1-L6 HydrophobicContact SD-CG 3.65Å
2	E	87.7	Confident	89.2	Confident	156 Å²	156	107.8 Å²	107.8	73%	0.729	50%	0.495	S	S	*	.			trans	-70.4	150.8	176.8	-67.7	-178.6	165.3	0	0	111.3	K4 K5 L6	E2-K4 PolarHBondContact O-N 3.25Å; E2-K5 PolarHBondContact O-N 3.42Å; E2-L6 PolarHBondContact O-N 2.99Å
3	R	88.8	Confident	89.5	Confident	161 Å²	161	106.1 Å²	106.1	61%	0.608	48%	0.483	S	S	*	.	H	α-helix	trans	-56.3	-47.4	-177.4	178.8	-178.7	172	178.8	-4.3	112.6	K5 L6 E7	R3-K5 PolarHBondContact O-N 3.3Å; R3-L6 WeakPolarHBondContact O-CB 3.46Å; R3-L6 PolarHBondContact O-N 3.07Å; R3-L6 VanDerWaalsContact O-N 3.1Å; R3-E7 HydrophobicContact CG-CG 4.46Å; R3-E7 WeakPolarHBondContact CG-OE1 3.25Å; R3-E7 IonicContact CZ-OE1 3.37Å; R3-E7 IonicContact NE-OE1 2.73Å; R3-E7 PolarHBondContact NE-OE1 2.89Å; R3-E7 IonicContact NH2-OE1 3.13Å; R3-E7 PolarHBondContact NH2-OE1 3.2Å; R3-E7 VanDerWaalsContact NH2-OE1 3.13Å; R3-E7 PolarHBondContact O-N 3.47Å
4	K	90.5	Very high	89.7	Confident	171 Å²	171	105.6 Å²	105.6	74%	0.743	49%	0.486	S	S	*	.	H	α-helix	trans	-59.7	-34.4	-179.1	-68.7	-173.3	176.5	-178	0	112.8	E2 K8	E2-K4 PolarHBondContact O-N 3.25Å; K4-K8 WeakPolarHBondContact O-CB 3.47Å; K4-K8 PolarHBondContact O-N 3.15Å
5	K	91.9	Very high	89.9	Confident	116 Å²	116	102.8 Å²	102.8	50%	0.504	48%	0.483	S	S	.	.	H	α-helix	trans	-68.1	-45.4	176	-176.9	172.6	175	177.8	0	111.2	M1 E2 R3 E7 K8 D9	M1-K5 HydrophobicContact CG-CB 4.09Å; M1-K5 HydrophobicContact CG-CD 3.84Å; M1-K5 HydrophobicContact CG-CG 4.04Å; M1-K5 HydrophobicContact SD-CB 4.48Å; M1-K5 HydrophobicContact SD-CD 4.11Å; M1-K5 HydrophobicContact SD-CG 4.01Å; E2-K5 PolarHBondContact O-N 3.42Å; R3-K5 PolarHBondContact O-N 3.3Å; K5-E7 VanDerWaalsContact C-N 3.3Å; K5-E7 PolarHBondContact O-N 3.11Å; K5-K8 PolarHBondContact O-N 3.24Å; K5-D9 WeakPolarHBondContact O-CB 3.41Å; K5-D9 PolarHBondContact O-N 3.26Å
6	L	91.2	Very high	90.2	Very high	13 Å²	13	97.6 Å²	97.6	7%	0.068	46%	0.459	C	S	.	.	H	α-helix	trans	-60.9	-39.7	177	-69.4	166.2	0	0	0	112.2	M1 E2 R3 D9 C10 Q18 R20	M1-L6 HydrophobicContact CB-CD2 4.31Å; M1-L6 HydrophobicContact CB-CG 4.29Å; M1-L6 HydrophobicContact CG-CD2 4.12Å; M1-L6 HydrophobicContact CG-CG 4.03Å; M1-L6 HydrophobicContact SD-CD2 3.22Å; M1-L6 WeakPolarHBondContact SD-CD2 3.43Å; M1-L6 HydrophobicContact SD-CG 3.65Å; E2-L6 PolarHBondContact O-N 2.99Å; R3-L6 WeakPolarHBondContact O-CB 3.46Å; R3-L6 PolarHBondContact O-N 3.07Å; R3-L6 VanDerWaalsContact O-N 3.1Å; L6-D9 PolarHBondContact O-N 3.5Å; L6-C10 PolarHBondContact O-N 3.19Å; L6-C10 PolarHBondContact O-SG 2.86Å; L6-Q18 HydrophobicContact CB-CG 3.91Å; L6-Q18 HydrophobicContact CD2-CG 3.74Å; L6-Q18 HydrophobicContact CG-CG 4.35Å; L6-Q18 PolarHBondContact O-NE2 2.85Å; L6-R20 HydrophobicContact CD1-CG 3.94Å
7	E	90.9	Very high	90.4	Very high	83 Å²	83	100.8 Å²	100.8	39%	0.388	47%	0.468	S	S	.	.	H	α-helix	trans	-63.4	-49.9	176.2	-72.1	167.5	168.9	0	0	110.7	R3 K5 D9 C10 D11	R3-E7 HydrophobicContact CG-CG 4.46Å; R3-E7 WeakPolarHBondContact CG-OE1 3.25Å; R3-E7 IonicContact CZ-OE1 3.37Å; R3-E7 IonicContact NE-OE1 2.73Å; R3-E7 PolarHBondContact NE-OE1 2.89Å; R3-E7 IonicContact NH2-OE1 3.13Å; R3-E7 PolarHBondContact NH2-OE1 3.2Å; R3-E7 VanDerWaalsContact NH2-OE1 3.13Å; R3-E7 PolarHBondContact O-N 3.47Å; K5-E7 VanDerWaalsContact C-N 3.3Å; K5-E7 PolarHBondContact O-N 3.11Å; E7-D9 VanDerWaalsContact C-N 3.27Å; E7-D9 PolarHBondContact O-N 3.02Å; E7-C10 WeakPolarHBondContact O-CA 3.44Å; E7-C10 WeakPolarHBondContact O-CB 3.35Å; E7-C10 PolarHBondContact O-N 3.12Å; E7-D11 PolarHBondContact O-N 3.4Å; E7-D11 VanDerWaalsContact O-N 3.14Å
8	K	92.6	Very high	90.5	Very high	149 Å²	149	98 Å²	98	65%	0.648	46%	0.455	S	S	*	.	H	α-helix	trans	-60	-36.1	176.4	-172.5	178	-178.7	179.6	0	113.3	K4 K5 C10	K4-K8 WeakPolarHBondContact O-CB 3.47Å; K4-K8 PolarHBondContact O-N 3.15Å; K5-K8 PolarHBondContact O-N 3.24Å; K8-C10 VanDerWaalsContact C-N 3.32Å
9	D	90.9	Very high	90.5	Very high	46 Å²	46	101.1 Å²	101.1	25%	0.246	46%	0.462	C	S	.	.	H	α-helix	trans	-69.5	-31.9	176	-68.8	-12.8	0	0	0	111.1	K5 L6 E7 Y13	K5-D9 WeakPolarHBondContact O-CB 3.41Å; K5-D9 PolarHBondContact O-N 3.26Å; L6-D9 PolarHBondContact O-N 3.5Å; E7-D9 VanDerWaalsContact C-N 3.27Å; E7-D9 PolarHBondContact O-N 3.02Å; D9-Y13 VanDerWaalsContact O-CD2 3.27Å; D9-Y13 WeakPolarHBondContact O-CD2 3.38Å; D9-Y13 WeakPolarHBondContact O-CE2 3.43Å
10	C	92	Very high	90.6	Very high	11 Å²	11	105 Å²	105	7%	0.074	47%	0.472	C	S	.	.	H	α-helix	trans	-69.6	-34.4	175.1	-75.4	0	0	0	0	113.2	L6 E7 K8 Q12 Y13 I16 Q18	L6-C10 PolarHBondContact O-N 3.19Å; L6-C10 PolarHBondContact O-SG 2.86Å; E7-C10 WeakPolarHBondContact O-CA 3.44Å; E7-C10 WeakPolarHBondContact O-CB 3.35Å; E7-C10 PolarHBondContact O-N 3.12Å; K8-C10 VanDerWaalsContact C-N 3.32Å; C10-Q12 PolarHBondContact O-N 2.87Å; C10-Y13 PolarHBondContact O-N 3.37Å; C10-I16 WeakPolarHBondContact CB-O 3.4Å; C10-Q18 WeakPolarHBondContact SG-CG 3.48Å; C10-Q18 PolarHBondContact SG-N 3.14Å
11	D	92.1	Very high	90.8	Very high	136 Å²	136	109.3 Å²	109.3	73%	0.727	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-14.2	-179.1	-63.8	-24.3	0	0	0	113.4	E7 Y13	E7-D11 PolarHBondContact O-N 3.4Å; E7-D11 VanDerWaalsContact O-N 3.14Å; D11-Y13 VanDerWaalsContact C-N 3.3Å
12	Q	92.1	Very high	91.9	Very high	142 Å²	142	105 Å²	105	66%	0.664	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-9.6	176.4	-58.5	-176.8	0.6	0	0	113.6	C10	C10-Q12 PolarHBondContact O-N 2.87Å
13	Y	92.6	Very high	92.1	Very high	85 Å²	85	100.3 Å²	100.3	33%	0.333	45%	0.45	S	S	.	.	S	Bend	trans	-123.8	151.3	-173.5	-59.7	-78.9	0	0	0	111.2	D9 C10 D11 S15 I16 E63 S64	D9-Y13 VanDerWaalsContact O-CD2 3.27Å; D9-Y13 WeakPolarHBondContact O-CD2 3.38Å; D9-Y13 WeakPolarHBondContact O-CE2 3.43Å; C10-Y13 PolarHBondContact O-N 3.37Å; D11-Y13 VanDerWaalsContact C-N 3.3Å; Y13-S15 PolarHBondContact O-N 3.43Å; Y13-I16 HydrophobicContact CG-CG1 4.4Å; Y13-E63 HydrophobicContact CD1-CG 3.74Å; Y13-E63 HydrophobicContact CE1-CG 4.07Å; Y13-S64 WeakPolarHBondContact CB-O 3.47Å; Y13-S64 WeakPolarHBondContact CD1-O 3.37Å
14	D	91.9	Very high	92.5	Very high	99 Å²	99	97.1 Å²	97.1	53%	0.529	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	119.3	174.9	-169.5	-9.1	0	0	0	110.9	I16 G66	D14-I16 PolarHBondContact O-N 3.22Å; D14-G66 PolarHBondContact O-N 3.3Å
15	S	93.5	Very high	92.8	Very high	64 Å²	64	91.9 Å²	91.9	45%	0.448	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	46	171.4	-58.8	0	0	0	0	113.4	Y13 F67	Y13-S15 PolarHBondContact O-N 3.43Å; S15-F67 WeakPolarHBondContact O-CD1 3.3Å; S15-F67 WeakPolarHBondContact O-CE1 3.45Å; S15-F67 PolarHBondContact O-N 3.43Å
16	I	95.1	Very high	93.1	Very high	19 Å²	19	86.5 Å²	86.5	10%	0.097	40%	0.404	C	S	.	.			trans	-113.2	137.1	174.7	-65.8	-64.7	0	0	0	110.8	C10 Y13 D14 F69	C10-I16 WeakPolarHBondContact CB-O 3.4Å; Y13-I16 HydrophobicContact CG-CG1 4.4Å; D14-I16 PolarHBondContact O-N 3.22Å; I16-F69 HydrophobicContact CG2-CE1 4.43Å; I16-F69 HydrophobicContact CG2-CZ 4.17Å
17	Y	92.8	Very high	93.4	Very high	153 Å²	153	87.7 Å²	87.7	60%	0.6	41%	0.413	S	S	*	.			trans	-129.5	144.2	165.8	70.5	-86.3	0	0	0	108.6	F67 F69	Y17-F67 AromaticContact CD1-CD1 3.83Å; Y17-F67 HydrophobicContact CD1-CD1 3.83Å; Y17-F67 HydrophobicContact CD1-CE1 4.24Å; Y17-F67 AromaticContact CE1-CD1 3.75Å; Y17-F67 HydrophobicContact CE1-CD1 3.75Å; Y17-F67 HydrophobicContact CE1-CE1 4.33Å; Y17-F67 HydrophobicContact CE1-CG 4.4Å; Y17-F69 WeakPolarHBondContact O-CZ 3.33Å
18	Q	91.5	Very high	93.7	Very high	50 Å²	50	87 Å²	87	23%	0.234	42%	0.417	C	S	.	.			trans	-139.2	151.8	-178.9	79.6	-171	-37.8	0	0	113.1	L6 C10 F69	L6-Q18 HydrophobicContact CB-CG 3.91Å; L6-Q18 HydrophobicContact CD2-CG 3.74Å; L6-Q18 HydrophobicContact CG-CG 4.35Å; L6-Q18 PolarHBondContact O-NE2 2.85Å; C10-Q18 WeakPolarHBondContact SG-CG 3.48Å; C10-Q18 PolarHBondContact SG-N 3.14Å; Q18-F69 HydrophobicContact CB-CE1 3.89Å; Q18-F69 HydrophobicContact CB-CZ 3.64Å
19	R	91.9	Very high	94	Very high	157 Å²	157	80.5 Å²	80.5	59%	0.592	39%	0.39	S	S	*	.			trans	-119.9	169.1	168.8	-65.9	-63.1	-67.9	-173.7	-6.6	108.3	R21 S22	R19-R21 PolarHBondContact O-N 3.09Å; R19-S22 PolarHBondContact N-OG 3.45Å; R19-S22 WeakPolarHBondContact O-CB 3.29Å; R19-S22 PolarHBondContact O-N 3.19Å; R19-S22 PolarHBondContact O-OG 2.96Å
20	R	92.1	Very high	94.3	Very high	178 Å²	178	79 Å²	79	67%	0.672	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-25	-179.1	-71.4	-175.9	64.8	171.2	1.5	114.8	L6	L6-R20 HydrophobicContact CD1-CG 3.94Å
21	R	94	Very high	94.6	Very high	196 Å²	196	86.3 Å²	86.3	74%	0.74	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	8.6	-177.1	-64	-173.9	68.8	-173.5	1.3	114.5	R19 E24 C25	R19-R21 PolarHBondContact O-N 3.09Å; R21-E24 WeakPolarHBondContact CA-OE2 3.32Å; R21-C25 VanDerWaalsContact O-CB 3.26Å; R21-C25 WeakPolarHBondContact O-CB 3.13Å; R21-C25 PolarHBondContact O-N 2.73Å
22	S	94.1	Very high	94.9	Very high	20 Å²	20	84.4 Å²	84.4	14%	0.14	39%	0.394	C	S	.	.	H	α-helix	trans	-65.2	-41.8	-173.7	-75	0	0	0	0	112.1	R19 C25 A26	R19-S22 PolarHBondContact N-OG 3.45Å; R19-S22 WeakPolarHBondContact O-CB 3.29Å; R19-S22 PolarHBondContact O-N 3.19Å; R19-S22 PolarHBondContact O-OG 2.96Å; S22-C25 PolarHBondContact O-N 3.48Å; S22-A26 WeakPolarHBondContact O-CB 3.3Å; S22-A26 PolarHBondContact O-N 3.49Å
23	S	92.4	Very high	95.2	Very high	57 Å²	57	78.6 Å²	78.6	40%	0.399	37%	0.369	S	S	.	.	H	α-helix	trans	-69	-38.9	179.3	55	0	0	0	0	112.2	A26 S27	S23-A26 PolarHBondContact O-N 3.38Å; S23-S27 WeakPolarHBondContact O-CB 3.5Å; S23-S27 PolarHBondContact O-N 3.03Å; S23-S27 PolarHBondContact O-OG 3.03Å
24	E	96.4	Very high	95.5	Very high	95 Å²	95	76.8 Å²	76.8	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-65.8	-41.2	174	-61.7	91	152.6	0	0	111.2	R21 S27 S28	R21-E24 WeakPolarHBondContact CA-OE2 3.32Å; E24-S27 PolarHBondContact O-N 2.89Å; E24-S28 PolarHBondContact O-N 2.7Å; E24-S28 PolarHBondContact O-OG 3.5Å
25	C	97.3	Very high	95.8	Very high	61 Å²	61	75.9 Å²	75.9	41%	0.412	36%	0.362	S	S	.	.	H	α-helix	trans	-61.3	-48.8	174.5	-174.1	0	0	0	0	111.3	R21 S22 S27 S28 V29 R53	R21-C25 VanDerWaalsContact O-CB 3.26Å; R21-C25 WeakPolarHBondContact O-CB 3.13Å; R21-C25 PolarHBondContact O-N 2.73Å; S22-C25 PolarHBondContact O-N 3.48Å; C25-S27 VanDerWaalsContact C-N 3.31Å; C25-S27 PolarHBondContact O-N 3.34Å; C25-S28 PolarHBondContact O-N 3.16Å; C25-V29 WeakPolarHBondContact O-CG2 3.09Å; C25-V29 PolarHBondContact O-N 2.91Å; C25-R53 PolarHBondContact SG-O 3.4Å; C25-R53 VanDerWaalsContact SG-O 3.4Å
26	A	97.4	Very high	96	Very high	3 Å²	3	73.8 Å²	73.8	3%	0.025	35%	0.347	C	S	.	.	H	α-helix	trans	-59.6	-39.7	176.1	0	0	0	0	0	112.6	S22 S23 V29 C30 P54 F69 F70	S22-A26 WeakPolarHBondContact O-CB 3.3Å; S22-A26 PolarHBondContact O-N 3.49Å; S23-A26 PolarHBondContact O-N 3.38Å; A26-V29 WeakPolarHBondContact O-CB 3.38Å; A26-V29 PolarHBondContact O-N 2.78Å; A26-C30 PolarHBondContact O-N 3.49Å; A26-C30 PolarHBondContact O-SG 3.36Å; A26-P54 HydrophobicContact CB-CG 3.68Å; A26-F69 HydrophobicContact CB-CB 3.7Å; A26-F69 HydrophobicContact CB-CG 4.24Å; A26-F70 HydrophobicContact CB-CD2 3.68Å; A26-F70 HydrophobicContact CB-CE2 3.95Å
27	S	97.5	Very high	96.1	Very high	37 Å²	37	74 Å²	74	26%	0.259	35%	0.351	S	S	.	.	H	α-helix	trans	-64.6	-42.5	175.7	-59.5	0	0	0	0	111.9	S23 E24 C25 V29 C30 R31	S23-S27 WeakPolarHBondContact O-CB 3.5Å; S23-S27 PolarHBondContact O-N 3.03Å; S23-S27 PolarHBondContact O-OG 3.03Å; E24-S27 PolarHBondContact O-N 2.89Å; C25-S27 VanDerWaalsContact C-N 3.31Å; C25-S27 PolarHBondContact O-N 3.34Å; S27-V29 VanDerWaalsContact C-N 3.34Å; S27-C30 PolarHBondContact O-N 3.13Å; S27-R31 WeakPolarHBondContact O-CG 3.04Å; S27-R31 PolarHBondContact O-N 3.29Å
28	S	98.3	Very high	96.4	Very high	69 Å²	69	71.7 Å²	71.7	48%	0.483	34%	0.341	S	S	.	.	H	α-helix	trans	-64.5	-37.8	175.7	-67	0	0	0	0	112.3	E24 C25 R31 F32	E24-S28 PolarHBondContact O-N 2.7Å; E24-S28 PolarHBondContact O-OG 3.5Å; C25-S28 PolarHBondContact O-N 3.16Å; S28-R31 PolarHBondContact O-N 3.25Å; S28-F32 PolarHBondContact O-N 3.14Å
29	V	98.2	Very high	96.7	Very high	13 Å²	13	71.1 Å²	71.1	8%	0.079	34%	0.341	C	S	.	.	H	α-helix	trans	-58.9	-47.9	171.7	164	0	0	0	0	111.2	C25 A26 S27 R31 F32 V33 V52 R53 N72	C25-V29 WeakPolarHBondContact O-CG2 3.09Å; C25-V29 PolarHBondContact O-N 2.91Å; A26-V29 WeakPolarHBondContact O-CB 3.38Å; A26-V29 PolarHBondContact O-N 2.78Å; S27-V29 VanDerWaalsContact C-N 3.34Å; V29-R31 VanDerWaalsContact C-N 3.33Å; V29-R31 PolarHBondContact O-N 3.19Å; V29-F32 PolarHBondContact O-N 3.41Å; V29-F32 VanDerWaalsContact O-N 3.17Å; V29-V33 WeakPolarHBondContact O-CG2 3.14Å; V29-V33 PolarHBondContact O-N 2.87Å; V29-V52 HydrophobicContact CB-CB 4.32Å; V29-V52 HydrophobicContact CG1-CB 3.6Å; V29-V52 HydrophobicContact CG1-CG1 3.96Å; V29-V52 HydrophobicContact CG1-CG2 3.77Å; V29-V52 HydrophobicContact CG2-CB 3.89Å; V29-V52 HydrophobicContact CG2-CG1 4.28Å; V29-R53 WeakPolarHBondContact CG2-O 3.47Å; V29-N72 HydrophobicContact CG1-CB 4.09Å; V29-N72 WeakPolarHBondContact CG1-ND2 3.49Å
30	C	98.1	Very high	96.9	Very high	13 Å²	13	65.1 Å²	65.1	9%	0.088	33%	0.329	C	S	.	.	H	α-helix	trans	-59.2	-45.9	178.7	-65.7	0	0	0	0	111.1	A26 S27 F32 V33 L34 I75	A26-C30 PolarHBondContact O-N 3.49Å; A26-C30 PolarHBondContact O-SG 3.36Å; S27-C30 PolarHBondContact O-N 3.13Å; C30-F32 VanDerWaalsContact C-N 3.32Å; C30-F32 PolarHBondContact O-N 3.37Å; C30-V33 PolarHBondContact O-N 2.86Å; C30-L34 WeakPolarHBondContact O-CG 3.41Å; C30-L34 PolarHBondContact O-N 3.28Å; C30-I75 HydrophobicContact CB-CD1 4.44Å
31	R	98.2	Very high	97.2	Very high	165 Å²	165	59.3 Å²	59.3	62%	0.623	31%	0.313	S	S	*	.	H	α-helix	trans	-58.3	-42.6	175.8	-71.3	176.3	176.1	118.5	-0.4	112.4	S27 S28 V29 L34 V35	S27-R31 WeakPolarHBondContact O-CG 3.04Å; S27-R31 PolarHBondContact O-N 3.29Å; S28-R31 PolarHBondContact O-N 3.25Å; V29-R31 VanDerWaalsContact C-N 3.33Å; V29-R31 PolarHBondContact O-N 3.19Å; R31-L34 WeakPolarHBondContact O-CB 3.33Å; R31-L34 PolarHBondContact O-N 3.35Å; R31-V35 PolarHBondContact O-N 3.01Å
32	F	98.4	Very high	97.3	Very high	96 Å²	96	54 Å²	54	42%	0.421	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-41.6	178	-174.4	-119.9	0	0	0	111.9	S28 V29 C30 L34 V35 V36 A50 V52	S28-F32 PolarHBondContact O-N 3.14Å; V29-F32 PolarHBondContact O-N 3.41Å; V29-F32 VanDerWaalsContact O-N 3.17Å; C30-F32 VanDerWaalsContact C-N 3.32Å; C30-F32 PolarHBondContact O-N 3.37Å; F32-L34 VanDerWaalsContact C-N 3.27Å; F32-L34 PolarHBondContact O-N 3.49Å; F32-V35 WeakPolarHBondContact O-CB 3.45Å; F32-V35 PolarHBondContact O-N 3.31Å; F32-V35 VanDerWaalsContact O-N 3.08Å; F32-V36 HydrophobicContact CD1-CG2 4.36Å; F32-V36 HydrophobicContact CE1-CG2 4.11Å; F32-V36 HydrophobicContact CE2-CG2 4.38Å; F32-V36 HydrophobicContact CZ-CG2 4.11Å; F32-V36 WeakPolarHBondContact O-CG2 3.49Å; F32-V36 PolarHBondContact O-N 3.27Å; F32-A50 HydrophobicContact CD1-CB 4.03Å; F32-A50 HydrophobicContact CE1-CB 3.92Å; F32-V52 HydrophobicContact CD1-CG1 3.61Å; F32-V52 HydrophobicContact CE1-CG1 4.22Å
33	V	98.3	Very high	97.4	Very high	21 Å²	21	55.8 Å²	55.8	13%	0.127	32%	0.319	C	S	.	.	H	α-helix	trans	-60.1	-36.1	173.8	172.3	0	0	0	0	111.8	V29 C30 V35 V36 A37 A50 N72	V29-V33 WeakPolarHBondContact O-CG2 3.14Å; V29-V33 PolarHBondContact O-N 2.87Å; C30-V33 PolarHBondContact O-N 2.86Å; V33-V35 VanDerWaalsContact C-N 3.33Å; V33-V35 PolarHBondContact O-N 2.87Å; V33-V36 PolarHBondContact O-N 3.22Å; V33-A37 WeakPolarHBondContact O-CB 3.45Å; V33-A37 PolarHBondContact O-N 2.83Å; V33-A50 HydrophobicContact CG2-CB 4.21Å; V33-N72 WeakPolarHBondContact CG1-O 3.49Å; V33-N72 HydrophobicContact CG2-CB 4.18Å
34	L	98.3	Very high	97.7	Very high	46 Å²	46	60 Å²	60	24%	0.241	33%	0.33	C	S	.	.	H	α-helix	trans	-62.6	-39.4	174	-57.1	-169.2	0	0	0	112.4	C30 R31 F32 R38 I75 F79	C30-L34 WeakPolarHBondContact O-CG 3.41Å; C30-L34 PolarHBondContact O-N 3.28Å; R31-L34 WeakPolarHBondContact O-CB 3.33Å; R31-L34 PolarHBondContact O-N 3.35Å; F32-L34 VanDerWaalsContact C-N 3.27Å; F32-L34 PolarHBondContact O-N 3.49Å; L34-R38 VanDerWaalsContact O-CB 3.3Å; L34-R38 WeakPolarHBondContact O-CB 3.29Å; L34-R38 PolarHBondContact O-N 2.94Å; L34-I75 HydrophobicContact CD2-CG2 3.87Å; L34-F79 HydrophobicContact CB-CD1 4.16Å; L34-F79 HydrophobicContact CB-CE1 4.09Å; L34-F79 HydrophobicContact CB-CZ 4.49Å; L34-F79 HydrophobicContact CD1-CD2 4.2Å; L34-F79 HydrophobicContact CD1-CE2 4.38Å; L34-F79 HydrophobicContact CD1-CG 4.42Å; L34-F79 HydrophobicContact CD2-CB 3.56Å; L34-F79 HydrophobicContact CD2-CD1 3.8Å; L34-F79 HydrophobicContact CD2-CD2 4.16Å; L34-F79 HydrophobicContact CD2-CG 3.58Å; L34-F79 HydrophobicContact CG-CD1 4.44Å; L34-F79 HydrophobicContact CG-CG 4.39Å
35	V	98.3	Very high	97.6	Very high	80 Å²	80	57.9 Å²	57.9	49%	0.485	32%	0.324	S	S	.	.	H	α-helix	trans	-65.9	-45.4	176.6	176.1	0	0	0	0	110.5	R31 F32 V33 R38 V39	R31-V35 PolarHBondContact O-N 3.01Å; F32-V35 WeakPolarHBondContact O-CB 3.45Å; F32-V35 PolarHBondContact O-N 3.31Å; F32-V35 VanDerWaalsContact O-N 3.08Å; V33-V35 VanDerWaalsContact C-N 3.33Å; V33-V35 PolarHBondContact O-N 2.87Å; V35-R38 WeakPolarHBondContact O-CB 3.49Å; V35-R38 PolarHBondContact O-N 3.24Å; V35-V39 PolarHBondContact O-N 2.86Å
36	V	98.2	Very high	97.6	Very high	21 Å²	21	60.4 Å²	60.4	13%	0.127	35%	0.35	C	S	.	.	H	α-helix	trans	-59.8	-47.9	176.7	174.3	0	0	0	0	110.9	F32 V33 R38 V39 G40 S48 A50	F32-V36 HydrophobicContact CD1-CG2 4.36Å; F32-V36 HydrophobicContact CE1-CG2 4.11Å; F32-V36 HydrophobicContact CE2-CG2 4.38Å; F32-V36 HydrophobicContact CZ-CG2 4.11Å; F32-V36 WeakPolarHBondContact O-CG2 3.49Å; F32-V36 PolarHBondContact O-N 3.27Å; V33-V36 PolarHBondContact O-N 3.22Å; V36-R38 VanDerWaalsContact C-N 3.32Å; V36-R38 PolarHBondContact O-N 3.36Å; V36-V39 WeakPolarHBondContact O-CG2 3.3Å; V36-V39 PolarHBondContact O-N 3.03Å; V36-G40 PolarHBondContact O-N 3.17Å; V36-S48 VanDerWaalsContact CG1-OG 3.27Å; V36-S48 WeakPolarHBondContact CG1-OG 3.39Å; V36-S48 PolarHBondContact O-OG 3.45Å; V36-S48 VanDerWaalsContact O-OG 3.1Å; V36-A50 HydrophobicContact CB-CB 4.32Å; V36-A50 HydrophobicContact CG1-CB 4.26Å; V36-A50 HydrophobicContact CG2-CB 3.78Å
37	A	97.5	Very high	97.5	Very high	23 Å²	23	65.1 Å²	65.1	19%	0.19	38%	0.383	C	S	.	.	H	α-helix	trans	-59.6	-42.3	175.3	0	0	0	0	0	111.9	V33 G40 V41	V33-A37 WeakPolarHBondContact O-CB 3.45Å; V33-A37 PolarHBondContact O-N 2.83Å; A37-G40 PolarHBondContact O-N 3.27Å; A37-V41 WeakPolarHBondContact O-CB 3.11Å; A37-V41 VanDerWaalsContact O-CG2 3.29Å; A37-V41 WeakPolarHBondContact O-CG2 3.36Å; A37-V41 PolarHBondContact O-N 3.44Å
38	R	98.2	Very high	97.4	Very high	104 Å²	104	65.9 Å²	65.9	39%	0.392	39%	0.388	S	S	.	.	H	α-helix	trans	-60.6	-52.3	177.7	-179.2	-174.6	-69.3	-88.7	4.6	112.4	L34 V35 V36 G40 V41 E42 L84	L34-R38 VanDerWaalsContact O-CB 3.3Å; L34-R38 WeakPolarHBondContact O-CB 3.29Å; L34-R38 PolarHBondContact O-N 2.94Å; V35-R38 WeakPolarHBondContact O-CB 3.49Å; V35-R38 PolarHBondContact O-N 3.24Å; V36-R38 VanDerWaalsContact C-N 3.32Å; V36-R38 PolarHBondContact O-N 3.36Å; R38-G40 PolarHBondContact O-N 3.39Å; R38-V41 PolarHBondContact O-N 3.14Å; R38-E42 WeakPolarHBondContact CD-OE1 3.31Å; R38-E42 HydrophobicContact CG-CG 4.06Å; R38-E42 WeakPolarHBondContact CG-OE1 3.1Å; R38-E42 IonicContact CZ-OE1 2.73Å; R38-E42 IonicContact NH1-OE1 3.74Å; R38-E42 PolarHBondContact NH1-OE1 3.39Å; R38-E42 VanDerWaalsContact O-CB 3.29Å; R38-E42 WeakPolarHBondContact O-CB 3.29Å; R38-E42 WeakPolarHBondContact O-CG 3.27Å; R38-E42 PolarHBondContact O-N 3.35Å; R38-L84 HydrophobicContact CB-CD1 4.27Å; R38-L84 HydrophobicContact CB-CD2 4.5Å; R38-L84 HydrophobicContact CG-CD2 4.3Å
39	V	97.9	Very high	97.4	Very high	38 Å²	38	67.9 Å²	67.9	23%	0.23	40%	0.397	C	S	.	.	H	α-helix	trans	-62.9	-33.6	-177.5	-62	0	0	0	0	112	V35 V36 G43 K44	V35-V39 PolarHBondContact O-N 2.86Å; V36-V39 WeakPolarHBondContact O-CG2 3.3Å; V36-V39 PolarHBondContact O-N 3.03Å; V39-G43 PolarHBondContact O-N 2.98Å; V39-K44 HydrophobicContact CB-CB 4.21Å; V39-K44 HydrophobicContact CG1-CD 4.25Å; V39-K44 PolarHBondContact O-N 3.49Å
40	G	96.9	Very high	97.3	Very high	32 Å²	32	68.7 Å²	68.7	33%	0.33	41%	0.405	S	S	.	.	H	α-helix	trans	-68.7	-48.6	173.9	0	0	0	0	0	113	V36 A37 R38 G43	V36-G40 PolarHBondContact O-N 3.17Å; A37-G40 PolarHBondContact O-N 3.27Å; R38-G40 PolarHBondContact O-N 3.39Å; G40-G43 PolarHBondContact O-N 2.75Å
41	V	96.9	Very high	97.3	Very high	56 Å²	56	75.7 Å²	75.7	34%	0.339	44%	0.441	S	S	.	.	H	α-helix	trans	-69.9	-34.5	-179.1	174.6	0	0	0	0	112.4	A37 R38 G43 A80 L84 A85 A86	A37-V41 WeakPolarHBondContact O-CB 3.11Å; A37-V41 VanDerWaalsContact O-CG2 3.29Å; A37-V41 WeakPolarHBondContact O-CG2 3.36Å; A37-V41 PolarHBondContact O-N 3.44Å; R38-V41 PolarHBondContact O-N 3.14Å; V41-G43 PolarHBondContact O-N 3.23Å; V41-A80 HydrophobicContact CG2-CB 4.16Å; V41-L84 HydrophobicContact CB-CB 4.3Å; V41-L84 HydrophobicContact CB-CD1 3.89Å; V41-L84 HydrophobicContact CG1-CB 3.72Å; V41-L84 HydrophobicContact CG1-CD1 4.25Å; V41-L84 HydrophobicContact CG2-CD1 3.97Å; V41-A85 HydrophobicContact CG1-CB 4.39Å; V41-A86 HydrophobicContact CG1-CB 4.25Å; V41-A86 HydrophobicContact CG2-CB 4.13Å
42	E	97.4	Very high	97.3	Very high	83 Å²	83	69.9 Å²	69.9	39%	0.388	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-2.8	176.1	-68.4	175.3	-179	0	0	112.8	R38 K44	R38-E42 WeakPolarHBondContact CD-OE1 3.31Å; R38-E42 HydrophobicContact CG-CG 4.06Å; R38-E42 WeakPolarHBondContact CG-OE1 3.1Å; R38-E42 IonicContact CZ-OE1 2.73Å; R38-E42 IonicContact NH1-OE1 3.74Å; R38-E42 PolarHBondContact NH1-OE1 3.39Å; R38-E42 VanDerWaalsContact O-CB 3.29Å; R38-E42 WeakPolarHBondContact O-CB 3.29Å; R38-E42 WeakPolarHBondContact O-CG 3.27Å; R38-E42 PolarHBondContact O-N 3.35Å; E42-K44 VanDerWaalsContact C-N 3.3Å; E42-K44 HydrophobicContact CB-CG 4.27Å; E42-K44 PolarHBondContact O-N 3.39Å; E42-K44 WeakPolarHBondContact OE2-CE 3.31Å; E42-K44 IonicContact OE2-NZ 3.47Å; E42-K44 PolarHBondContact OE2-NZ 3.34Å
43	G	96.6	Very high	97.2	Very high	59 Å²	59	75 Å²	75	61%	0.608	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	22.8	178	0	0	0	0	0	114.4	V39 G40 V41 C45	V39-G43 PolarHBondContact O-N 2.98Å; G40-G43 PolarHBondContact O-N 2.75Å; V41-G43 PolarHBondContact O-N 3.23Å; G43-C45 PolarHBondContact O-N 2.75Å
44	K	97.2	Very high	97.2	Very high	146 Å²	146	75 Å²	75	64%	0.635	44%	0.441	S	S	*	.	S	Bend	trans	-72.8	-16.1	178.4	-68.7	178.9	170.9	159.8	0	112.9	V39 E42	V39-K44 HydrophobicContact CB-CB 4.21Å; V39-K44 HydrophobicContact CG1-CD 4.25Å; V39-K44 PolarHBondContact O-N 3.49Å; E42-K44 VanDerWaalsContact C-N 3.3Å; E42-K44 HydrophobicContact CB-CG 4.27Å; E42-K44 PolarHBondContact O-N 3.39Å; E42-K44 WeakPolarHBondContact OE2-CE 3.31Å; E42-K44 IonicContact OE2-NZ 3.47Å; E42-K44 PolarHBondContact OE2-NZ 3.34Å
45	C	95.2	Very high	97.1	Very high	49 Å²	49	75.5 Å²	75.5	33%	0.331	45%	0.446	S	S	.	.	S	Bend	trans	-150.2	158.6	173.5	56	0	0	0	0	110.4	G43 S47	G43-C45 PolarHBondContact O-N 2.75Å; C45-S47 VanDerWaalsContact C-N 3.31Å; C45-S47 PolarHBondContact SG-O 2.99Å
46	A	95.9	Very high	97.1	Very high	115 Å²	115	71.8 Å²	71.8	95%	0.95	43%	0.425	S	S	*	.	S	Bend	trans	-68.1	-32.3	176	0	0	0	0	0	112.6
47	S	96.1	Very high	96.9	Very high	102 Å²	102	71.6 Å²	71.6	71%	0.713	42%	0.422	S	S	*	.			trans	-152.1	153.4	177.8	59	0	0	0	0	110.2	C45	C45-S47 VanDerWaalsContact C-N 3.31Å; C45-S47 PolarHBondContact SG-O 2.99Å
48	S	96.6	Very high	96.9	Very high	53 Å²	53	71.2 Å²	71.2	37%	0.371	42%	0.416	S	S	.	.			trans	-137.7	147.8	176.3	62.6	0	0	0	0	110.3	V36	V36-S48 VanDerWaalsContact CG1-OG 3.27Å; V36-S48 WeakPolarHBondContact CG1-OG 3.39Å; V36-S48 PolarHBondContact O-OG 3.45Å; V36-S48 VanDerWaalsContact O-OG 3.1Å
49	V	97	Very high	96.7	Very high	111 Å²	111	66.3 Å²	66.3	67%	0.673	40%	0.398	S	S	*	.			trans	-135.3	140.1	-177.9	63.7	0	0	0	0	109.9	L51	V49-L51 HydrophobicContact CG2-CD2 4.17Å
50	A	97.5	Very high	96.5	Very high	30 Å²	30	68.1 Å²	68.1	25%	0.248	41%	0.405	C	S	.	.			trans	-114	109.3	175.1	0	0	0	0	0	109.8	F32 V33 V36 V52	F32-A50 HydrophobicContact CD1-CB 4.03Å; F32-A50 HydrophobicContact CE1-CB 3.92Å; V33-A50 HydrophobicContact CG2-CB 4.21Å; V36-A50 HydrophobicContact CB-CB 4.32Å; V36-A50 HydrophobicContact CG1-CB 4.26Å; V36-A50 HydrophobicContact CG2-CB 3.78Å; A50-V52 HydrophobicContact CB-CG1 4.01Å; A50-V52 PolarHBondContact O-N 3.38Å
51	L	97.7	Very high	96.1	Very high	159 Å²	159	75.6 Å²	75.6	83%	0.832	43%	0.429	S	S	*	.			trans	-88	98.8	172.5	-58.1	-178.5	0	0	0	108.8	V49	V49-L51 HydrophobicContact CG2-CD2 4.17Å
52	V	97.7	Very high	95.8	Very high	43 Å²	43	79.8 Å²	79.8	26%	0.261	45%	0.449	S	S	.	.			trans	-131.3	150.1	-167	-66.4	0	0	0	0	113.4	V29 F32 A50	V29-V52 HydrophobicContact CB-CB 4.32Å; V29-V52 HydrophobicContact CG1-CB 3.6Å; V29-V52 HydrophobicContact CG1-CG1 3.96Å; V29-V52 HydrophobicContact CG1-CG2 3.77Å; V29-V52 HydrophobicContact CG2-CB 3.89Å; V29-V52 HydrophobicContact CG2-CG1 4.28Å; F32-V52 HydrophobicContact CD1-CG1 3.61Å; F32-V52 HydrophobicContact CE1-CG1 4.22Å; A50-V52 HydrophobicContact CB-CG1 4.01Å; A50-V52 PolarHBondContact O-N 3.38Å
53	R	96.9	Very high	95.5	Very high	205 Å²	205	79.3 Å²	79.3	77%	0.774	45%	0.447	S	S	*	.	S	Bend	trans	-143.6	140.5	164.2	-60.3	-167.6	-51.2	169	3.6	109.2	C25 V29	C25-R53 PolarHBondContact SG-O 3.4Å; C25-R53 VanDerWaalsContact SG-O 3.4Å; V29-R53 WeakPolarHBondContact CG2-O 3.47Å
54	P	96.6	Very high	95.4	Very high	21 Å²	21	77.5 Å²	77.5	14%	0.136	43%	0.425	C	S	.	.	S	Bend	cis	-70.5	163.2	4	28.9	-35.1	0	0	0	114.3	A26 F69	A26-P54 HydrophobicContact CB-CG 3.68Å; P54-F69 HydrophobicContact CB-CD2 4.1Å; P54-F69 HydrophobicContact CG-CD2 3.96Å
55	P	97.6	Very high	95.3	Very high	55 Å²	55	71.4 Å²	71.4	36%	0.357	40%	0.399	S	S	.	.			trans	-66.9	178.6	171.3	31.2	-36.1	0	0	0	111.7	F67 C68	P55-F67 HydrophobicContact CG-CB 3.97Å; P55-C68 WeakPolarHBondContact O-CA 3.16Å
56	G	96.7	Very high	95.3	Very high	3 Å²	3	69.6 Å²	69.6	3%	0.031	39%	0.388	C	S	.	.			trans	-138.5	-26.5	-177	0	0	0	0	0	118.8	H58 A59 C68 F70 N71 N72	G56-H58 PolarHBondContact O-N 3.48Å; G56-A59 WeakPolarHBondContact O-CB 3.36Å; G56-A59 PolarHBondContact O-N 3.27Å; G56-C68 VanDerWaalsContact CA-SG 3.54Å; G56-C68 PolarHBondContact N-SG 2.93Å; G56-F70 WeakPolarHBondContact CA-O 3.37Å; G56-N71 WeakPolarHBondContact O-CA 3.27Å; G56-N72 WeakPolarHBondContact CA-OD1 3.23Å
57	H	95.9	Very high	95.3	Very high	17 Å²	17	69 Å²	69	8%	0.079	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.4	-165.8	73.4	151.3	0	0	0	116.4	D93 D95 L97 G99 G101 L102	H57-D93 IonicContact CE1-OD2 2.69Å; H57-D93 IonicContact CG-OD2 3.35Å; H57-D93 IonicContact ND1-OD1 3.91Å; H57-D93 PolarHBondContact ND1-OD1 2.97Å; H57-D93 IonicContact ND1-OD2 3.68Å; H57-D93 PolarHBondContact ND1-OD2 3.06Å; H57-D95 WeakPolarHBondContact CE1-CB 3Å; H57-D95 VanDerWaalsContact CE1-CG 3.43Å; H57-D95 IonicContact CE1-OD1 2.97Å; H57-L97 PolarHBondContact CE1-O 2.87Å; H57-G99 WeakPolarHBondContact ND1-CA 3.44Å; H57-G99 CarbonylContact O-C 3.41Å; H57-G99 WeakPolarHBondContact O-CA 3.21Å; H57-G101 WeakPolarHBondContact O-CA 3.37Å; H57-G101 PolarHBondContact O-N 3.35Å; H57-G101 VanDerWaalsContact O-N 3.08Å; H57-L102 HydrophobicContact CB-CD1 3.75Å; H57-L102 HydrophobicContact CB-CG 4.05Å
58	H	95.6	Very high	95.3	Very high	14 Å²	14	64.1 Å²	64.1	7%	0.065	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-22.1	174	-64.9	-58	0	0	0	113.7	G56 M60 N65 G66 C68 Y98 Q100	G56-H58 PolarHBondContact O-N 3.48Å; H58-M60 PolarHBondContact O-N 2.88Å; H58-N65 HydrophobicContact CB-CB 4.31Å; H58-N65 VanDerWaalsContact CB-O 3.26Å; H58-N65 WeakPolarHBondContact CB-O 3.06Å; H58-G66 PolarHBondContact CD2-O 2.94Å; H58-C68 HydrophobicContact CB-CB 4.07Å; H58-Y98 PolarHBondContact CE1-O 3.34Å; H58-Y98 PolarHBondContact ND1-O 3.27Å; H58-Y98 VanDerWaalsContact ND1-O 3.1Å; H58-Q100 PolarHBondContact ND1-OE1 3.23Å
59	A	95.2	Very high	95.2	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.008	32%	0.318	C	S	.	.			trans	-65.7	129.7	-175.1	0	0	0	0	0	111.4	G56 C68 N71 G101	G56-A59 WeakPolarHBondContact O-CB 3.36Å; G56-A59 PolarHBondContact O-N 3.27Å; A59-C68 HydrophobicContact CB-CB 3.72Å; A59-N71 HydrophobicContact CB-CB 4.2Å; A59-N71 WeakPolarHBondContact O-CB 3.19Å; A59-N71 PolarHBondContact O-ND2 3.41Å; A59-G101 WeakPolarHBondContact O-CA 3.27Å
60	M	92.6	Very high	95.2	Very high	76 Å²	76	61.6 Å²	61.6	37%	0.374	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-101.6	177.5	178.7	-62.6	-172.8	-70.6	0	0	110.7	H58 N62 E63 Q100	H58-M60 PolarHBondContact O-N 2.88Å; M60-N62 VanDerWaalsContact C-N 3.3Å; M60-N62 PolarHBondContact O-N 2.84Å; M60-E63 HydrophobicContact CB-CB 4.29Å; M60-E63 HydrophobicContact CE-CB 3.95Å; M60-E63 HydrophobicContact CE-CG 4.1Å; M60-E63 WeakPolarHBondContact CE-OE1 3.46Å; M60-E63 WeakPolarHBondContact CE-OE2 3.45Å; M60-E63 PolarHBondContact N-O 2.91Å; M60-Q100 HydrophobicContact SD-CG 4.3Å
61	K	89.6	Confident	95.1	Very high	190 Å²	190	61 Å²	61	83%	0.826	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-42.8	-173.7	-173.2	-179.7	178.5	178.4	0	113.9
62	N	89.4	Confident	95.1	Very high	143 Å²	143	53.9 Å²	53.9	77%	0.765	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.5	20.8	-175	-63.8	-25.2	0	0	0	112	M60	M60-N62 VanDerWaalsContact C-N 3.3Å; M60-N62 PolarHBondContact O-N 2.84Å
63	E	92.1	Very high	95	Very high	74 Å²	74	54.5 Å²	54.5	35%	0.346	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-148.7	127.2	-172.1	-166.9	-170.4	132.7	0	0	110.9	Y13 M60 N65	Y13-E63 HydrophobicContact CD1-CG 3.74Å; Y13-E63 HydrophobicContact CE1-CG 4.07Å; M60-E63 HydrophobicContact CB-CB 4.29Å; M60-E63 HydrophobicContact CE-CB 3.95Å; M60-E63 HydrophobicContact CE-CG 4.1Å; M60-E63 WeakPolarHBondContact CE-OE1 3.46Å; M60-E63 WeakPolarHBondContact CE-OE2 3.45Å; M60-E63 PolarHBondContact N-O 2.91Å; E63-N65 PolarHBondContact OE1-ND2 2.85Å; E63-N65 VanDerWaalsContact OE1-ND2 3.11Å
64	S	94.3	Very high	94.9	Very high	20 Å²	20	45 Å²	45	14%	0.14	23%	0.229	C	C	.	.			trans	-81	139	166.5	-61.6	0	0	0	0	108.8	Y13 C68 F69	Y13-S64 WeakPolarHBondContact CB-O 3.47Å; Y13-S64 WeakPolarHBondContact CD1-O 3.37Å; S64-C68 CarbonylContact C-O 3.59Å; S64-C68 VanDerWaalsContact CA-O 3.27Å; S64-C68 WeakPolarHBondContact CA-O 3.46Å; S64-C68 WeakPolarHBondContact CB-O 3.49Å; S64-F69 PolarHBondContact OG-O 3.28Å
65	N	95.2	Very high	94.9	Very high	19 Å²	19	47.2 Å²	47.2	10%	0.102	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-152.6	146.7	-176.6	-164.5	-67.5	0	0	0	110	H58 E63 F67 C68 Q100	H58-N65 HydrophobicContact CB-CB 4.31Å; H58-N65 VanDerWaalsContact CB-O 3.26Å; H58-N65 WeakPolarHBondContact CB-O 3.06Å; E63-N65 PolarHBondContact OE1-ND2 2.85Å; E63-N65 VanDerWaalsContact OE1-ND2 3.11Å; N65-F67 PolarHBondContact O-N 3.08Å; N65-C68 PolarHBondContact N-O 3.06Å; N65-C68 WeakPolarHBondContact O-CA 3.35Å; N65-C68 WeakPolarHBondContact O-CB 3.29Å; N65-C68 PolarHBondContact O-N 3.2Å; N65-Q100 VanDerWaalsContact CG-NE2 3.35Å; N65-Q100 PolarHBondContact OD1-NE2 3.06Å
66	G	94.7	Very high	94.8	Very high	10 Å²	10	44.9 Å²	44.9	10%	0.103	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	51.9	170.8	0	0	0	0	0	113.6	D14 H58 C68	D14-G66 PolarHBondContact O-N 3.3Å; H58-G66 PolarHBondContact CD2-O 2.94Å; G66-C68 PolarHBondContact O-N 2.89Å; G66-C68 PolarHBondContact O-SG 3.26Å
67	F	95.9	Very high	94.8	Very high	102 Å²	102	45.1 Å²	45.1	45%	0.447	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	1.1	-174.6	-39.8	-52.9	0	0	0	116.1	S15 Y17 P55 N65	S15-F67 WeakPolarHBondContact O-CD1 3.3Å; S15-F67 WeakPolarHBondContact O-CE1 3.45Å; S15-F67 PolarHBondContact O-N 3.43Å; Y17-F67 AromaticContact CD1-CD1 3.83Å; Y17-F67 HydrophobicContact CD1-CD1 3.83Å; Y17-F67 HydrophobicContact CD1-CE1 4.24Å; Y17-F67 AromaticContact CE1-CD1 3.75Å; Y17-F67 HydrophobicContact CE1-CD1 3.75Å; Y17-F67 HydrophobicContact CE1-CE1 4.33Å; Y17-F67 HydrophobicContact CE1-CG 4.4Å; P55-F67 HydrophobicContact CG-CB 3.97Å; N65-F67 PolarHBondContact O-N 3.08Å
68	C	96.8	Very high	94.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-96.1	119.1	-178.2	-56.5	0	0	0	0	110.7	P55 G56 H58 A59 S64 N65 G66	P55-C68 WeakPolarHBondContact O-CA 3.16Å; G56-C68 VanDerWaalsContact CA-SG 3.54Å; G56-C68 PolarHBondContact N-SG 2.93Å; H58-C68 HydrophobicContact CB-CB 4.07Å; A59-C68 HydrophobicContact CB-CB 3.72Å; S64-C68 CarbonylContact C-O 3.59Å; S64-C68 VanDerWaalsContact CA-O 3.27Å; S64-C68 WeakPolarHBondContact CA-O 3.46Å; S64-C68 WeakPolarHBondContact CB-O 3.49Å; N65-C68 PolarHBondContact N-O 3.06Å; N65-C68 WeakPolarHBondContact O-CA 3.35Å; N65-C68 WeakPolarHBondContact O-CB 3.29Å; N65-C68 PolarHBondContact O-N 3.2Å; G66-C68 PolarHBondContact O-N 2.89Å; G66-C68 PolarHBondContact O-SG 3.26Å
69	F	95.2	Very high	94.6	Very high	24 Å²	24	47.9 Å²	47.9	11%	0.105	24%	0.242	C	C	.	.	S	Bend	trans	-86.7	-44.5	175	-73.7	-100.1	0	0	0	112	I16 Y17 Q18 A26 P54 S64	I16-F69 HydrophobicContact CG2-CE1 4.43Å; I16-F69 HydrophobicContact CG2-CZ 4.17Å; Y17-F69 WeakPolarHBondContact O-CZ 3.33Å; Q18-F69 HydrophobicContact CB-CE1 3.89Å; Q18-F69 HydrophobicContact CB-CZ 3.64Å; A26-F69 HydrophobicContact CB-CB 3.7Å; A26-F69 HydrophobicContact CB-CG 4.24Å; P54-F69 HydrophobicContact CB-CD2 4.1Å; P54-F69 HydrophobicContact CG-CD2 3.96Å; S64-F69 PolarHBondContact OG-O 3.28Å
70	F	95.7	Very high	94.7	Very high	88 Å²	88	48 Å²	48	39%	0.386	24%	0.244	S	C	.	.	S	Bend	trans	-132.9	144.7	179.2	-59.5	-45.4	0	0	0	109.7	A26 G56 N72 I75	A26-F70 HydrophobicContact CB-CD2 3.68Å; A26-F70 HydrophobicContact CB-CE2 3.95Å; G56-F70 WeakPolarHBondContact CA-O 3.37Å; F70-N72 VanDerWaalsContact C-N 3.28Å; F70-N72 PolarHBondContact O-N 2.87Å; F70-I75 HydrophobicContact CB-CD1 4.12Å
71	N	95.7	Very high	94.7	Very high	16 Å²	16	44.6 Å²	44.6	9%	0.086	23%	0.227	C	C	.	.			trans	-77.8	79.3	179.4	-166.2	-28.7	0	0	0	111	G56 A59 V73 G74 I75 G101 L102	G56-N71 WeakPolarHBondContact O-CA 3.27Å; A59-N71 HydrophobicContact CB-CB 4.2Å; A59-N71 WeakPolarHBondContact O-CB 3.19Å; A59-N71 PolarHBondContact O-ND2 3.41Å; N71-V73 VanDerWaalsContact C-N 3.29Å; N71-V73 PolarHBondContact O-N 2.96Å; N71-G74 PolarHBondContact O-N 2.89Å; N71-G74 PolarHBondContact OD1-N 2.75Å; N71-I75 WeakPolarHBondContact O-CB 3.19Å; N71-I75 VanDerWaalsContact O-CG1 3.23Å; N71-I75 WeakPolarHBondContact O-CG1 3.35Å; N71-I75 PolarHBondContact O-N 3.44Å; N71-G101 PolarHBondContact ND2-O 3.39Å; N71-L102 WeakPolarHBondContact OD1-CD2 3.46Å
72	N	96.9	Very high	94.9	Very high	11 Å²	11	40.1 Å²	40.1	6%	0.059	21%	0.212	C	C	.	.	H	α-helix	trans	-58.1	-38.9	-175.6	62.8	1.9	0	0	0	112.8	V29 V33 G56 F70 G76	V29-N72 HydrophobicContact CG1-CB 4.09Å; V29-N72 WeakPolarHBondContact CG1-ND2 3.49Å; V33-N72 WeakPolarHBondContact CG1-O 3.49Å; V33-N72 HydrophobicContact CG2-CB 4.18Å; G56-N72 WeakPolarHBondContact CA-OD1 3.23Å; F70-N72 VanDerWaalsContact C-N 3.28Å; F70-N72 PolarHBondContact O-N 2.87Å; N72-G76 PolarHBondContact O-N 3.24Å
73	V	96.9	Very high	95.2	Very high	56 Å²	56	40 Å²	40	34%	0.339	21%	0.206	S	C	.	.	H	α-helix	trans	-64.6	-49.4	175.5	175.3	0	0	0	0	110.7	N71 I75 G76 A77 I91 L102	N71-V73 VanDerWaalsContact C-N 3.29Å; N71-V73 PolarHBondContact O-N 2.96Å; V73-I75 PolarHBondContact O-N 2.93Å; V73-G76 PolarHBondContact O-N 3.1Å; V73-A77 WeakPolarHBondContact O-CB 3.35Å; V73-A77 PolarHBondContact O-N 3.11Å; V73-I91 HydrophobicContact CG1-CD1 4.16Å; V73-I91 HydrophobicContact CG1-CG1 4.34Å; V73-I91 HydrophobicContact CG1-CG2 3.83Å; V73-L102 HydrophobicContact CB-CD2 3.92Å; V73-L102 HydrophobicContact CG1-CD1 4.47Å; V73-L102 HydrophobicContact CG1-CD2 3.75Å
74	G	95.2	Very high	95.4	Very high	5 Å²	5	37.8 Å²	37.8	5%	0.052	20%	0.197	C	C	.	.	H	α-helix	trans	-65.9	-38.5	179.6	0	0	0	0	0	113.6	N71 T78	N71-G74 PolarHBondContact O-N 2.89Å; N71-G74 PolarHBondContact OD1-N 2.75Å; G74-T78 VanDerWaalsContact O-CB 3.31Å; G74-T78 WeakPolarHBondContact O-CB 3.24Å; G74-T78 PolarHBondContact O-N 2.87Å; G74-T78 PolarHBondContact O-OG1 3.31Å
75	I	95.4	Very high	95.4	Very high	68 Å²	68	40.9 Å²	40.9	35%	0.349	22%	0.224	S	C	.	.	H	α-helix	trans	-61.6	-47.4	172.1	-70.9	165.4	0	0	0	110.2	C30 L34 F70 N71 V73 T78 F79	C30-I75 HydrophobicContact CB-CD1 4.44Å; L34-I75 HydrophobicContact CD2-CG2 3.87Å; F70-I75 HydrophobicContact CB-CD1 4.12Å; N71-I75 WeakPolarHBondContact O-CB 3.19Å; N71-I75 VanDerWaalsContact O-CG1 3.23Å; N71-I75 WeakPolarHBondContact O-CG1 3.35Å; N71-I75 PolarHBondContact O-N 3.44Å; V73-I75 PolarHBondContact O-N 2.93Å; I75-T78 PolarHBondContact O-N 2.96Å; I75-F79 VanDerWaalsContact O-CB 3.24Å; I75-F79 WeakPolarHBondContact O-CB 3.37Å; I75-F79 PolarHBondContact O-N 2.94Å
76	G	96.4	Very high	95.4	Very high	5 Å²	5	40.8 Å²	40.8	5%	0.052	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-45.7	177.9	0	0	0	0	0	113	N72 V73 F79 A80	N72-G76 PolarHBondContact O-N 3.24Å; V73-G76 PolarHBondContact O-N 3.1Å; G76-F79 PolarHBondContact O-N 3.22Å; G76-A80 WeakPolarHBondContact O-CB 3.26Å; G76-A80 PolarHBondContact O-N 3.45Å
77	A	95.6	Very high	95.4	Very high	8 Å²	8	48.6 Å²	48.6	7%	0.066	26%	0.257	C	S	.	.	H	α-helix	trans	-63.2	-46.7	177.3	0	0	0	0	0	112	V73 F79 A80 L81 I89 I91 F106 P112	V73-A77 WeakPolarHBondContact O-CB 3.35Å; V73-A77 PolarHBondContact O-N 3.11Å; A77-F79 VanDerWaalsContact C-N 3.32Å; A77-F79 PolarHBondContact O-N 3.38Å; A77-A80 PolarHBondContact O-N 2.69Å; A77-L81 PolarHBondContact O-N 2.85Å; A77-I89 HydrophobicContact CB-CD1 4.21Å; A77-I89 HydrophobicContact CB-CG2 4.09Å; A77-I89 WeakPolarHBondContact O-CD1 3.49Å; A77-I91 HydrophobicContact CB-CD1 3.89Å; A77-I91 HydrophobicContact CB-CG1 4.37Å; A77-F106 HydrophobicContact CB-CE1 4.35Å; A77-P112 HydrophobicContact CB-CB 4.36Å; A77-P112 HydrophobicContact CB-CG 4.19Å
78	T	93.3	Very high	95.3	Very high	56 Å²	56	54.3 Å²	54.3	34%	0.344	28%	0.275	S	S	.	.	H	α-helix	trans	-62.8	-41.9	178.3	-55.8	0	0	0	0	111	G74 I75 L81 N82	G74-T78 VanDerWaalsContact O-CB 3.31Å; G74-T78 WeakPolarHBondContact O-CB 3.24Å; G74-T78 PolarHBondContact O-N 2.87Å; G74-T78 PolarHBondContact O-OG1 3.31Å; I75-T78 PolarHBondContact O-N 2.96Å; T78-L81 PolarHBondContact O-N 3.41Å; T78-N82 WeakPolarHBondContact CG2-ND2 3.36Å; T78-N82 VanDerWaalsContact O-CB 3.31Å; T78-N82 WeakPolarHBondContact O-CB 3.17Å; T78-N82 PolarHBondContact O-N 3.18Å
79	F	95.5	Very high	95.2	Very high	33 Å²	33	56 Å²	56	15%	0.145	28%	0.284	C	S	.	.	H	α-helix	trans	-60.7	-45.7	176	174.8	-103.1	0	0	0	112	L34 I75 G76 A77 L81 N82 H83 L84	L34-F79 HydrophobicContact CB-CD1 4.16Å; L34-F79 HydrophobicContact CB-CE1 4.09Å; L34-F79 HydrophobicContact CB-CZ 4.49Å; L34-F79 HydrophobicContact CD1-CD2 4.2Å; L34-F79 HydrophobicContact CD1-CE2 4.38Å; L34-F79 HydrophobicContact CD1-CG 4.42Å; L34-F79 HydrophobicContact CD2-CB 3.56Å; L34-F79 HydrophobicContact CD2-CD1 3.8Å; L34-F79 HydrophobicContact CD2-CD2 4.16Å; L34-F79 HydrophobicContact CD2-CG 3.58Å; L34-F79 HydrophobicContact CG-CD1 4.44Å; L34-F79 HydrophobicContact CG-CG 4.39Å; I75-F79 VanDerWaalsContact O-CB 3.24Å; I75-F79 WeakPolarHBondContact O-CB 3.37Å; I75-F79 PolarHBondContact O-N 2.94Å; G76-F79 PolarHBondContact O-N 3.22Å; A77-F79 VanDerWaalsContact C-N 3.32Å; A77-F79 PolarHBondContact O-N 3.38Å; F79-L81 PolarHBondContact O-N 3.1Å; F79-N82 PolarHBondContact O-N 3.11Å; F79-H83 HydrophobicContact CD2-CB 3.89Å; F79-H83 AromaticContact CD2-CD2 3.68Å; F79-H83 HydrophobicContact CE2-CB 3.79Å; F79-H83 HydrophobicContact CZ-CB 4.44Å; F79-H83 WeakPolarHBondContact O-CA 3.35Å; F79-H83 WeakPolarHBondContact O-CB 3.21Å; F79-H83 PolarHBondContact O-N 3.38Å; F79-L84 HydrophobicContact CD1-CD1 3.97Å; F79-L84 HydrophobicContact CD1-CG 4.16Å; F79-L84 HydrophobicContact CE1-CD1 3.71Å; F79-L84 HydrophobicContact CE1-CD2 3.84Å; F79-L84 HydrophobicContact CE1-CG 3.79Å; F79-L84 HydrophobicContact CZ-CD2 4.02Å; F79-L84 HydrophobicContact CZ-CG 4.33Å; F79-L84 PolarHBondContact O-N 2.92Å
80	A	95.9	Very high	95.3	Very high	4 Å²	4	59.6 Å²	59.6	3%	0.033	30%	0.304	C	S	.	.	H	α-helix	trans	-64.9	-38.7	178.9	0	0	0	0	0	112.9	V41 G76 A77 L84 A86 I89	V41-A80 HydrophobicContact CG2-CB 4.16Å; G76-A80 WeakPolarHBondContact O-CB 3.26Å; G76-A80 PolarHBondContact O-N 3.45Å; A77-A80 PolarHBondContact O-N 2.69Å; A80-L84 HydrophobicContact CB-CD1 4.1Å; A80-L84 CarbonylContact O-C 3.52Å; A80-L84 WeakPolarHBondContact O-CB 3.43Å; A80-L84 PolarHBondContact O-N 3.33Å; A80-A86 HydrophobicContact CB-CB 4.14Å; A80-A86 WeakPolarHBondContact O-CB 3.49Å; A80-I89 HydrophobicContact CB-CD1 3.5Å
81	L	94.2	Very high	95.3	Very high	4 Å²	4	56 Å²	56	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-69.9	-37.5	176.8	-74.7	168.1	0	0	0	113.8	A77 T78 F79 I89	A77-L81 PolarHBondContact O-N 2.85Å; T78-L81 PolarHBondContact O-N 3.41Å; F79-L81 PolarHBondContact O-N 3.1Å; L81-I89 HydrophobicContact CD1-CD1 4.29Å; L81-I89 HydrophobicContact CD2-CB 4.5Å; L81-I89 HydrophobicContact CD2-CD1 4.17Å; L81-I89 HydrophobicContact CD2-CG1 3.91Å; L81-I89 HydrophobicContact CG-CB 4.5Å; L81-I89 HydrophobicContact CG-CD1 3.64Å; L81-I89 HydrophobicContact CG-CG1 3.92Å
82	N	93.5	Very high	95.3	Very high	96 Å²	96	60.5 Å²	60.5	51%	0.513	31%	0.312	S	S	.	.	H	α-helix	trans	-99.6	-25.5	-169.1	-67.3	-16.7	0	0	0	114	T78 F79	T78-N82 WeakPolarHBondContact CG2-ND2 3.36Å; T78-N82 VanDerWaalsContact O-CB 3.31Å; T78-N82 WeakPolarHBondContact O-CB 3.17Å; T78-N82 PolarHBondContact O-N 3.18Å; F79-N82 PolarHBondContact O-N 3.11Å
83	H	95.4	Very high	95.2	Very high	140 Å²	140	60.7 Å²	60.7	65%	0.648	31%	0.312	S	S	*	.	H	α-helix	trans	-125.3	-8.5	-172.6	-59.1	-64.7	0	0	0	114.1	F79	F79-H83 HydrophobicContact CD2-CB 3.89Å; F79-H83 AromaticContact CD2-CD2 3.68Å; F79-H83 HydrophobicContact CE2-CB 3.79Å; F79-H83 HydrophobicContact CZ-CB 4.44Å; F79-H83 WeakPolarHBondContact O-CA 3.35Å; F79-H83 WeakPolarHBondContact O-CB 3.21Å; F79-H83 PolarHBondContact O-N 3.38Å
84	L	95.6	Very high	95.1	Very high	28 Å²	28	62.8 Å²	62.8	15%	0.147	33%	0.33	C	S	.	.	S	Bend	trans	-118.2	-178	174	-50.7	178.9	0	0	0	110.2	R38 V41 F79 A80 A86	R38-L84 HydrophobicContact CB-CD1 4.27Å; R38-L84 HydrophobicContact CB-CD2 4.5Å; R38-L84 HydrophobicContact CG-CD2 4.3Å; V41-L84 HydrophobicContact CB-CB 4.3Å; V41-L84 HydrophobicContact CB-CD1 3.89Å; V41-L84 HydrophobicContact CG1-CB 3.72Å; V41-L84 HydrophobicContact CG1-CD1 4.25Å; V41-L84 HydrophobicContact CG2-CD1 3.97Å; F79-L84 HydrophobicContact CD1-CD1 3.97Å; F79-L84 HydrophobicContact CD1-CG 4.16Å; F79-L84 HydrophobicContact CE1-CD1 3.71Å; F79-L84 HydrophobicContact CE1-CD2 3.84Å; F79-L84 HydrophobicContact CE1-CG 3.79Å; F79-L84 HydrophobicContact CZ-CD2 4.02Å; F79-L84 HydrophobicContact CZ-CG 4.33Å; F79-L84 PolarHBondContact O-N 2.92Å; A80-L84 HydrophobicContact CB-CD1 4.1Å; A80-L84 CarbonylContact O-C 3.52Å; A80-L84 WeakPolarHBondContact O-CB 3.43Å; A80-L84 PolarHBondContact O-N 3.33Å; L84-A86 PolarHBondContact O-N 2.84Å
85	A	95.1	Very high	95	Very high	86 Å²	86	65.8 Å²	65.8	71%	0.711	34%	0.344	S	S	*	.	S	Bend	trans	-80.7	9.6	-179	0	0	0	0	0	114.3	V41 K87	V41-A85 HydrophobicContact CG1-CB 4.39Å; A85-K87 PolarHBondContact O-N 3.5Å
86	A	95.4	Very high	94.9	Very high	16 Å²	16	68.3 Å²	68.3	13%	0.132	36%	0.363	C	S	.	.			trans	-71.8	122.5	-177.1	0	0	0	0	0	110.9	V41 A80 L84 I89	V41-A86 HydrophobicContact CG1-CB 4.25Å; V41-A86 HydrophobicContact CG2-CB 4.13Å; A80-A86 HydrophobicContact CB-CB 4.14Å; A80-A86 WeakPolarHBondContact O-CB 3.49Å; L84-A86 PolarHBondContact O-N 2.84Å; A86-I89 HydrophobicContact CB-CD1 4.36Å; A86-I89 HydrophobicContact CB-CG1 4.29Å
87	K	93.5	Very high	94.6	Very high	175 Å²	175	72.7 Å²	72.7	76%	0.761	38%	0.384	S	S	*	.	S	Bend	trans	-88.9	-32.2	-179.8	-64.7	-177.7	-179.6	178.3	0	113.3	A85	A85-K87 PolarHBondContact O-N 3.5Å
88	R	94.5	Very high	94.4	Very high	222 Å²	222	75.9 Å²	75.9	84%	0.838	40%	0.395	S	S	*	.			trans	-144.9	145.5	-179.8	-68.5	-172.7	-66.8	-90.2	2.2	108.5
89	I	95.4	Very high	94.3	Very high	36 Å²	36	73.3 Å²	73.3	19%	0.185	38%	0.38	C	S	.	.			trans	-132.2	134.3	176.2	-64.7	-173.8	0	0	0	108.2	A77 A80 L81 A86 I91 P112 L113	A77-I89 HydrophobicContact CB-CD1 4.21Å; A77-I89 HydrophobicContact CB-CG2 4.09Å; A77-I89 WeakPolarHBondContact O-CD1 3.49Å; A80-I89 HydrophobicContact CB-CD1 3.5Å; L81-I89 HydrophobicContact CD1-CD1 4.29Å; L81-I89 HydrophobicContact CD2-CB 4.5Å; L81-I89 HydrophobicContact CD2-CD1 4.17Å; L81-I89 HydrophobicContact CD2-CG1 3.91Å; L81-I89 HydrophobicContact CG-CB 4.5Å; L81-I89 HydrophobicContact CG-CD1 3.64Å; L81-I89 HydrophobicContact CG-CG1 3.92Å; A86-I89 HydrophobicContact CB-CD1 4.36Å; A86-I89 HydrophobicContact CB-CG1 4.29Å; I89-I91 HydrophobicContact CG2-CG1 4.23Å; I89-P112 HydrophobicContact CB-CB 4.03Å; I89-P112 HydrophobicContact CG2-CB 3.94Å; I89-P112 CarbonylContact O-C 3.58Å; I89-P112 VanDerWaalsContact O-CA 3.29Å; I89-P112 WeakPolarHBondContact O-CA 3.42Å; I89-L113 PolarHBondContact O-N 3.41Å
90	L	95.3	Very high	94.1	Very high	99 Å²	99	74.2 Å²	74.2	52%	0.518	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.2	166.2	172.8	63.9	0	0	0	107.6	I92 L113 F115	L90-I92 HydrophobicContact CD2-CD1 4.01Å; L90-I92 HydrophobicContact CD2-CG1 3.94Å; L90-I92 HydrophobicContact CG-CD1 4.48Å; L90-I92 HydrophobicContact CG-CG1 3.91Å; L90-L113 CarbonylContact C-O 3.59Å; L90-L113 WeakPolarHBondContact CA-O 3.32Å; L90-L113 HydrophobicContact CD1-CB 4.13Å; L90-L113 HydrophobicContact CD1-CD2 4.1Å; L90-L113 HydrophobicContact CD1-CG 4.01Å; L90-F115 HydrophobicContact CD1-CB 4.5Å
91	I	95.9	Very high	94	Very high	11 Å²	11	74.1 Å²	74.1	6%	0.056	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.3	169	-62.1	170.5	0	0	0	107.1	V73 A77 I89 L102 F106 P112 L113 L114 F115	V73-I91 HydrophobicContact CG1-CD1 4.16Å; V73-I91 HydrophobicContact CG1-CG1 4.34Å; V73-I91 HydrophobicContact CG1-CG2 3.83Å; A77-I91 HydrophobicContact CB-CD1 3.89Å; A77-I91 HydrophobicContact CB-CG1 4.37Å; I89-I91 HydrophobicContact CG2-CG1 4.23Å; I91-L102 HydrophobicContact CD1-CD2 4.42Å; I91-L102 HydrophobicContact CG2-CD1 4Å; I91-F106 HydrophobicContact CD1-CE1 4.49Å; I91-F106 HydrophobicContact CD1-CE2 3.82Å; I91-F106 HydrophobicContact CD1-CZ 3.54Å; I91-P112 HydrophobicContact CD1-CB 3.67Å; I91-P112 HydrophobicContact CD1-CG 3.61Å; I91-P112 HydrophobicContact CG1-CB 3.94Å; I91-P112 HydrophobicContact CG1-CG 4.43Å; I91-L113 PolarHBondContact N-O 3.22Å; I91-L114 HydrophobicContact CB-CD1 4.01Å; I91-L114 HydrophobicContact CG2-CD1 3.71Å; I91-F115 PolarHBondContact O-N 3.46Å
92	I	95.8	Very high	93.9	Very high	112 Å²	112	74 Å²	74	57%	0.574	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	107.1	171.2	-57.2	178.9	0	0	0	106.2	L90 F115	L90-I92 HydrophobicContact CD2-CD1 4.01Å; L90-I92 HydrophobicContact CD2-CG1 3.94Å; L90-I92 HydrophobicContact CG-CD1 4.48Å; L90-I92 HydrophobicContact CG-CG1 3.91Å; I92-F115 HydrophobicContact CG2-CD1 4.24Å
93	D	95.2	Very high	93.5	Very high	14 Å²	14	74.2 Å²	74.2	8%	0.075	38%	0.38	C	S	.	.			trans	-95.8	98.1	173.6	-171.9	-0.1	0	0	0	108.8	H57 D95 G99 L102 L114 F115 P117	H57-D93 IonicContact CE1-OD2 2.69Å; H57-D93 IonicContact CG-OD2 3.35Å; H57-D93 IonicContact ND1-OD1 3.91Å; H57-D93 PolarHBondContact ND1-OD1 2.97Å; H57-D93 IonicContact ND1-OD2 3.68Å; H57-D93 PolarHBondContact ND1-OD2 3.06Å; D93-D95 VanDerWaalsContact OD1-CB 3.27Å; D93-D95 WeakPolarHBondContact OD1-CB 3.45Å; D93-D95 PolarHBondContact OD1-N 2.98Å; D93-D95 VanDerWaalsContact OD1-N 3.14Å; D93-G99 WeakPolarHBondContact OD2-CA 3.37Å; D93-L102 HydrophobicContact CB-CD1 3.96Å; D93-L102 WeakPolarHBondContact OD2-CD1 3.46Å; D93-L114 HydrophobicContact CB-CD1 4.35Å; D93-F115 PolarHBondContact N-O 3.38Å; D93-P117 WeakPolarHBondContact O-CD 3.38Å
94	S	94.6	Very high	92.4	Very high	101 Å²	101	76.1 Å²	76.1	71%	0.706	39%	0.386	S	S	*	.			trans	-95.7	8.1	178.1	68.6	0	0	0	0	113.1
95	D	94.7	Very high	91.1	Very high	67 Å²	67	77.3 Å²	77.3	36%	0.358	40%	0.395	S	S	.	.			trans	-60.8	155.3	174.8	-164	-74.9	0	0	0	110	H57 D93 L97 Q118	H57-D95 WeakPolarHBondContact CE1-CB 3Å; H57-D95 VanDerWaalsContact CE1-CG 3.43Å; H57-D95 IonicContact CE1-OD1 2.97Å; D93-D95 VanDerWaalsContact OD1-CB 3.27Å; D93-D95 WeakPolarHBondContact OD1-CB 3.45Å; D93-D95 PolarHBondContact OD1-N 2.98Å; D93-D95 VanDerWaalsContact OD1-N 3.14Å; D95-L97 VanDerWaalsContact C-N 3.29Å; D95-L97 PolarHBondContact OD1-N 3.32Å; D95-Q118 PolarHBondContact O-NE2 2.99Å; D95-Q118 PolarHBondContact O-OE1 3.29Å
96	V	93.1	Very high	90	Very high	122 Å²	122	74.9 Å²	74.9	74%	0.739	37%	0.369	S	S	*	.	S	Bend	trans	-75.4	-24.1	179.7	-62.9	0	0	0	0	112	Q118	V96-Q118 VanDerWaalsContact O-CG 3.29Å; V96-Q118 WeakPolarHBondContact O-CG 3.48Å; V96-Q118 PolarHBondContact O-NE2 3.28Å; V96-Q118 VanDerWaalsContact O-NE2 3.17Å
97	L	89.8	Confident	88.5	Confident	96 Å²	96	80.2 Å²	80.2	50%	0.503	40%	0.4	S	S	.	.	S	Bend	trans	-92.9	146.6	176.6	-58.7	176.8	0	0	0	110.6	H57 D95 G99	H57-L97 PolarHBondContact CE1-O 2.87Å; D95-L97 VanDerWaalsContact C-N 3.29Å; D95-L97 PolarHBondContact OD1-N 3.32Å; L97-G99 PolarHBondContact O-N 3.02Å
98	Y	90.4	Very high	87.3	Confident	76 Å²	76	74.5 Å²	74.5	30%	0.298	39%	0.391	S	S	.	.			trans	-71.3	115.3	178.6	179.4	-126.5	0	0	0	111.4	H58 Q100 K103 Q118 E119	H58-Y98 PolarHBondContact CE1-O 3.34Å; H58-Y98 PolarHBondContact ND1-O 3.27Å; H58-Y98 VanDerWaalsContact ND1-O 3.1Å; Y98-Q100 VanDerWaalsContact C-N 3.28Å; Y98-Q100 HydrophobicContact CD1-CB 3.94Å; Y98-Q100 HydrophobicContact CE1-CB 3.76Å; Y98-Q100 PolarHBondContact O-N 3.04Å; Y98-Q100 PolarHBondContact O-OE1 3.34Å; Y98-K103 WeakPolarHBondContact OH-CD 3.36Å; Y98-Q118 HydrophobicContact CD2-CB 3.96Å; Y98-Q118 HydrophobicContact CG-CB 4.31Å; Y98-E119 HydrophobicContact CD2-CB 4.43Å; Y98-E119 HydrophobicContact CE2-CB 3.76Å; Y98-E119 HydrophobicContact CE2-CG 4.17Å
99	G	91.9	Very high	86.3	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.01	40%	0.395	C	S	.	.			trans	-74.9	68.5	175.1	0	0	0	0	0	113.6	H57 D93 L97 G101 L102	H57-G99 WeakPolarHBondContact ND1-CA 3.44Å; H57-G99 CarbonylContact O-C 3.41Å; H57-G99 WeakPolarHBondContact O-CA 3.21Å; D93-G99 WeakPolarHBondContact OD2-CA 3.37Å; L97-G99 PolarHBondContact O-N 3.02Å; G99-G101 PolarHBondContact O-N 3.45Å; G99-L102 WeakPolarHBondContact O-CB 3.43Å; G99-L102 PolarHBondContact O-N 3.22Å
100	Q	91.4	Very high	85.6	Confident	52 Å²	52	75.3 Å²	75.3	24%	0.243	42%	0.415	C	S	.	.	H	α-helix	trans	-55.6	-27.7	179.9	77.5	-77.6	21.2	0	0	113.2	H58 M60 N65 Y98 L102 K103	H58-Q100 PolarHBondContact ND1-OE1 3.23Å; M60-Q100 HydrophobicContact SD-CG 4.3Å; N65-Q100 VanDerWaalsContact CG-NE2 3.35Å; N65-Q100 PolarHBondContact OD1-NE2 3.06Å; Y98-Q100 VanDerWaalsContact C-N 3.28Å; Y98-Q100 HydrophobicContact CD1-CB 3.94Å; Y98-Q100 HydrophobicContact CE1-CB 3.76Å; Y98-Q100 PolarHBondContact O-N 3.04Å; Y98-Q100 PolarHBondContact O-OE1 3.34Å; Q100-L102 PolarHBondContact O-N 2.88Å; Q100-K103 PolarHBondContact O-N 3.25Å
101	G	92.9	Very high	85.2	Confident	2 Å²	2	76 Å²	76	2%	0.021	42%	0.416	C	S	.	.	H	α-helix	trans	-62.8	-22.3	175.7	0	0	0	0	0	113.3	H57 A59 N71 G99 P105	H57-G101 WeakPolarHBondContact O-CA 3.37Å; H57-G101 PolarHBondContact O-N 3.35Å; H57-G101 VanDerWaalsContact O-N 3.08Å; A59-G101 WeakPolarHBondContact O-CA 3.27Å; N71-G101 PolarHBondContact ND2-O 3.39Å; G99-G101 PolarHBondContact O-N 3.45Å; G101-P105 WeakPolarHBondContact O-CD 3.5Å; G101-P105 WeakPolarHBondContact O-CG 3.12Å
102	L	93.2	Very high	85	Confident	2 Å²	2	75.9 Å²	75.9	1%	0.01	42%	0.415	C	S	.	.	H	α-helix	trans	-87.9	-18.3	179.7	-65.5	172.7	0	0	0	114.5	H57 N71 V73 I91 D93 G99 Q100 P105 F106 L114	H57-L102 HydrophobicContact CB-CD1 3.75Å; H57-L102 HydrophobicContact CB-CG 4.05Å; N71-L102 WeakPolarHBondContact OD1-CD2 3.46Å; V73-L102 HydrophobicContact CB-CD2 3.92Å; V73-L102 HydrophobicContact CG1-CD1 4.47Å; V73-L102 HydrophobicContact CG1-CD2 3.75Å; I91-L102 HydrophobicContact CD1-CD2 4.42Å; I91-L102 HydrophobicContact CG2-CD1 4Å; D93-L102 HydrophobicContact CB-CD1 3.96Å; D93-L102 WeakPolarHBondContact OD2-CD1 3.46Å; G99-L102 WeakPolarHBondContact O-CB 3.43Å; G99-L102 PolarHBondContact O-N 3.22Å; Q100-L102 PolarHBondContact O-N 2.88Å; L102-P105 VanDerWaalsContact C-CD 3.41Å; L102-P105 VanDerWaalsContact O-CD 3.3Å; L102-P105 WeakPolarHBondContact O-CD 3.33Å; L102-F106 HydrophobicContact CD2-CZ 4.35Å; L102-F106 WeakPolarHBondContact O-CD2 3.27Å; L102-F106 WeakPolarHBondContact O-CE2 3.46Å; L102-L114 HydrophobicContact CB-CD1 4.02Å; L102-L114 HydrophobicContact CB-CD2 3.88Å; L102-L114 HydrophobicContact CD1-CD1 4.08Å
103	K	85.3	Confident	84.8	Confident	101 Å²	101	76.1 Å²	76.1	44%	0.439	42%	0.417	S	S	.	.	H	α-helix	trans	-75	-37.7	-174.7	-178.2	160.8	179.1	154.5	0	113.7	Y98 Q100 L114 E119	Y98-K103 WeakPolarHBondContact OH-CD 3.36Å; Q100-K103 PolarHBondContact O-N 3.25Å; K103-L114 HydrophobicContact CB-CD2 4.45Å; K103-E119 WeakPolarHBondContact CD-OE1 3.39Å; K103-E119 VanDerWaalsContact CE-OE1 3.3Å; K103-E119 WeakPolarHBondContact CE-OE1 3.06Å; K103-E119 IonicContact NZ-OE1 2.83Å; K103-E119 PolarHBondContact NZ-OE1 3.37Å
104	K	72	Confident	84.7	Confident	179 Å²	179	77.1 Å²	77.1	78%	0.778	42%	0.423	S	S	*	.	S	Bend	trans	-109.7	-10.7	-170.3	-64.6	-174.4	178.9	179.3	0	118.2	F106	K104-F106 VanDerWaalsContact C-N 3.26Å; K104-F106 PolarHBondContact O-N 3.08Å
105	P	66.9	Low	84.6	Confident	53 Å²	53	77.4 Å²	77.4	34%	0.344	41%	0.411	S	S	.	.	S	Bend	trans	-77.2	-17	-169.6	35.3	-36.8	0	0	0	112.2	G101 L102 T107	G101-P105 WeakPolarHBondContact O-CD 3.5Å; G101-P105 WeakPolarHBondContact O-CG 3.12Å; L102-P105 VanDerWaalsContact C-CD 3.41Å; L102-P105 VanDerWaalsContact O-CD 3.3Å; L102-P105 WeakPolarHBondContact O-CD 3.33Å; P105-T107 PolarHBondContact O-N 3.42Å
106	F	73.2	Confident	84.5	Confident	36 Å²	36	74.3 Å²	74.3	16%	0.158	40%	0.395	C	S	.	.			trans	-93.7	106.8	-172.8	-48	-67.4	0	0	0	110.7	A77 I91 L102 K104 H111 P112	A77-F106 HydrophobicContact CB-CE1 4.35Å; I91-F106 HydrophobicContact CD1-CE1 4.49Å; I91-F106 HydrophobicContact CD1-CE2 3.82Å; I91-F106 HydrophobicContact CD1-CZ 3.54Å; L102-F106 HydrophobicContact CD2-CZ 4.35Å; L102-F106 WeakPolarHBondContact O-CD2 3.27Å; L102-F106 WeakPolarHBondContact O-CE2 3.46Å; K104-F106 VanDerWaalsContact C-N 3.26Å; K104-F106 PolarHBondContact O-N 3.08Å; F106-H111 HydrophobicContact CB-CB 3.68Å; F106-P112 HydrophobicContact CB-CG 4.4Å; F106-P112 VanDerWaalsContact CD1-CD 3.49Å; F106-P112 HydrophobicContact CD1-CG 3.55Å; F106-P112 HydrophobicContact CD2-CG 3.54Å; F106-P112 HydrophobicContact CE1-CG 3.53Å; F106-P112 HydrophobicContact CE2-CG 3.51Å; F106-P112 VanDerWaalsContact CG-CD 3.48Å; F106-P112 HydrophobicContact CG-CG 3.56Å; F106-P112 HydrophobicContact CZ-CG 3.51Å
107	T	63.7	Low	84.3	Confident	127 Å²	127	70.8 Å²	70.8	78%	0.779	38%	0.375	S	S	*	.			trans	-116.1	137.9	173.9	57.4	0	0	0	0	109.6	P105	P105-T107 PolarHBondContact O-N 3.42Å
108	G	68.8	Low	84.1	Confident	56 Å²	56	67.9 Å²	67.9	58%	0.577	36%	0.359	S	S	*	.	S	Bend	trans	121	173.3	174.7	0	0	0	0	0	114	R110 H111	G108-R110 PolarHBondContact O-N 2.95Å; G108-H111 PolarHBondContact O-CD2 3Å
109	A	72.3	Confident	83.5	Confident	111 Å²	111	66.4 Å²	66.4	92%	0.917	35%	0.354	S	S	*	.	S	Bend	trans	-65.4	-21.9	-174.2	0	0	0	0	0	114.3
110	R	81.8	Confident	82.4	Confident	164 Å²	164	71.3 Å²	71.3	62%	0.619	38%	0.38	S	S	*	.	S	Bend	trans	-116.4	96.3	174.3	-65.7	-174.1	-174.4	176.5	3.9	108.9	G108	G108-R110 PolarHBondContact O-N 2.95Å
111	H	87.1	Confident	81.5	Confident	113 Å²	113	73.9 Å²	73.9	52%	0.523	39%	0.394	S	S	.	.			trans	-120.2	149.4	171.3	62	82.2	0	0	0	109.5	F106 G108	F106-H111 HydrophobicContact CB-CB 3.68Å; G108-H111 PolarHBondContact O-CD2 3Å
112	P	91.6	Very high	80	Confident	8 Å²	8	75.3 Å²	75.3	5%	0.052	41%	0.409	C	S	.	.			trans	-63.5	152.9	170	28.4	-33.7	0	0	0	110.5	A77 I89 I91 F106	A77-P112 HydrophobicContact CB-CB 4.36Å; A77-P112 HydrophobicContact CB-CG 4.19Å; I89-P112 HydrophobicContact CB-CB 4.03Å; I89-P112 HydrophobicContact CG2-CB 3.94Å; I89-P112 CarbonylContact O-C 3.58Å; I89-P112 VanDerWaalsContact O-CA 3.29Å; I89-P112 WeakPolarHBondContact O-CA 3.42Å; I91-P112 HydrophobicContact CD1-CB 3.67Å; I91-P112 HydrophobicContact CD1-CG 3.61Å; I91-P112 HydrophobicContact CG1-CB 3.94Å; I91-P112 HydrophobicContact CG1-CG 4.43Å; F106-P112 HydrophobicContact CB-CG 4.4Å; F106-P112 VanDerWaalsContact CD1-CD 3.49Å; F106-P112 HydrophobicContact CD1-CG 3.55Å; F106-P112 HydrophobicContact CD2-CG 3.54Å; F106-P112 HydrophobicContact CE1-CG 3.53Å; F106-P112 HydrophobicContact CE2-CG 3.51Å; F106-P112 VanDerWaalsContact CG-CD 3.48Å; F106-P112 HydrophobicContact CG-CG 3.56Å; F106-P112 HydrophobicContact CZ-CG 3.51Å
113	L	92	Very high	78.5	Confident	117 Å²	117	79.5 Å²	79.5	61%	0.613	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	137.3	163.8	-178.9	61.7	0	0	0	108.3	I89 L90 I91	I89-L113 PolarHBondContact O-N 3.41Å; L90-L113 CarbonylContact C-O 3.59Å; L90-L113 WeakPolarHBondContact CA-O 3.32Å; L90-L113 HydrophobicContact CD1-CB 4.13Å; L90-L113 HydrophobicContact CD1-CD2 4.1Å; L90-L113 HydrophobicContact CD1-CG 4.01Å; I91-L113 PolarHBondContact N-O 3.22Å
114	L	92.3	Very high	77.2	Confident	36 Å²	36	80 Å²	80	19%	0.188	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.9	177.1	178.1	63.9	0	0	0	110.1	I91 D93 L102 K103	I91-L114 HydrophobicContact CB-CD1 4.01Å; I91-L114 HydrophobicContact CG2-CD1 3.71Å; D93-L114 HydrophobicContact CB-CD1 4.35Å; L102-L114 HydrophobicContact CB-CD1 4.02Å; L102-L114 HydrophobicContact CB-CD2 3.88Å; L102-L114 HydrophobicContact CD1-CD1 4.08Å; K103-L114 HydrophobicContact CB-CD2 4.45Å
115	F	93	Very high	76.6	Confident	106 Å²	106	74.3 Å²	74.3	47%	0.465	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.6	163	175.4	-93.2	0	0	0	108.9	L90 I91 I92 D93 P117	L90-F115 HydrophobicContact CD1-CB 4.5Å; I91-F115 PolarHBondContact O-N 3.46Å; I92-F115 HydrophobicContact CG2-CD1 4.24Å; D93-F115 PolarHBondContact N-O 3.38Å; F115-P117 HydrophobicContact CE1-CG 4.16Å
116	S	91.7	Very high	76.3	Confident	3 Å²	3	74.3 Å²	74.3	2%	0.021	43%	0.425	C	S	.	.			trans	-141.4	125.6	173.8	175.1	0	0	0	0	109.6	Q118 E119	S116-Q118 PolarHBondContact O-N 3.4Å; S116-Q118 PolarHBondContact OG-OE1 3.06Å; S116-E119 WeakPolarHBondContact O-CB 3.34Å; S116-E119 PolarHBondContact O-N 3.06Å; S116-E119 VanDerWaalsContact O-N 3.14Å
117	P	89	Confident	75.7	Confident	48 Å²	48	77.2 Å²	77.2	31%	0.312	44%	0.441	S	S	.	.	H	α-helix	trans	-57.2	-35.6	176.1	-25.3	34.9	0	0	0	113.1	D93 F115 E119 L120 I121	D93-P117 WeakPolarHBondContact O-CD 3.38Å; F115-P117 HydrophobicContact CE1-CG 4.16Å; P117-E119 VanDerWaalsContact C-N 3.27Å; P117-E119 PolarHBondContact O-N 3.07Å; P117-L120 WeakPolarHBondContact O-CB 3.39Å; P117-L120 PolarHBondContact O-N 2.95Å; P117-I121 PolarHBondContact O-N 3.35Å
118	Q	86.4	Confident	75.5	Confident	35 Å²	35	76 Å²	76	16%	0.164	43%	0.427	C	S	.	.	H	α-helix	trans	-72.1	-23.3	-178.4	-68.3	71.5	16.7	0	0	112.1	D95 V96 Y98 S116 L120 I121 G122	D95-Q118 PolarHBondContact O-NE2 2.99Å; D95-Q118 PolarHBondContact O-OE1 3.29Å; V96-Q118 VanDerWaalsContact O-CG 3.29Å; V96-Q118 WeakPolarHBondContact O-CG 3.48Å; V96-Q118 PolarHBondContact O-NE2 3.28Å; V96-Q118 VanDerWaalsContact O-NE2 3.17Å; Y98-Q118 HydrophobicContact CD2-CB 3.96Å; Y98-Q118 HydrophobicContact CG-CB 4.31Å; S116-Q118 PolarHBondContact O-N 3.4Å; S116-Q118 PolarHBondContact OG-OE1 3.06Å; Q118-L120 VanDerWaalsContact C-N 3.3Å; Q118-I121 PolarHBondContact O-N 3.4Å; Q118-G122 PolarHBondContact O-N 2.92Å
119	E	76.1	Confident	75.1	Confident	44 Å²	44	80.4 Å²	80.4	21%	0.206	43%	0.43	C	S	.	.	H	α-helix	trans	-61.7	-42.8	170.9	-170.8	163.9	-166.4	0	0	110.8	Y98 K103 S116 P117 G122 D123	Y98-E119 HydrophobicContact CD2-CB 4.43Å; Y98-E119 HydrophobicContact CE2-CB 3.76Å; Y98-E119 HydrophobicContact CE2-CG 4.17Å; K103-E119 WeakPolarHBondContact CD-OE1 3.39Å; K103-E119 VanDerWaalsContact CE-OE1 3.3Å; K103-E119 WeakPolarHBondContact CE-OE1 3.06Å; K103-E119 IonicContact NZ-OE1 2.83Å; K103-E119 PolarHBondContact NZ-OE1 3.37Å; S116-E119 WeakPolarHBondContact O-CB 3.34Å; S116-E119 PolarHBondContact O-N 3.06Å; S116-E119 VanDerWaalsContact O-N 3.14Å; P117-E119 VanDerWaalsContact C-N 3.27Å; P117-E119 PolarHBondContact O-N 3.07Å; E119-G122 PolarHBondContact O-N 3.4Å; E119-D123 PolarHBondContact O-N 2.95Å; E119-D123 VanDerWaalsContact O-N 3.13Å
120	L	70.4	Confident	74.6	Confident	105 Å²	105	83.3 Å²	83.3	55%	0.55	42%	0.417	S	S	.	.	H	α-helix	trans	-65.4	-40.6	177.3	-60.1	170.3	0	0	0	111.3	P117 Q118 D123 L124	P117-L120 WeakPolarHBondContact O-CB 3.39Å; P117-L120 PolarHBondContact O-N 2.95Å; Q118-L120 VanDerWaalsContact C-N 3.3Å; L120-D123 PolarHBondContact O-N 3.17Å; L120-L124 WeakPolarHBondContact O-CG 3.26Å; L120-L124 PolarHBondContact O-N 3.45Å; L120-L124 VanDerWaalsContact O-N 3.09Å
121	I	71.3	Confident	73.8	Confident	105 Å²	105	77.9 Å²	77.9	54%	0.538	40%	0.402	S	S	.	.	H	α-helix	trans	-68.7	-39.1	178.3	-60.9	169.6	0	0	0	111	P117 Q118 D123 L124 S125	P117-I121 PolarHBondContact O-N 3.35Å; Q118-I121 PolarHBondContact O-N 3.4Å; I121-D123 PolarHBondContact O-N 3Å; I121-L124 WeakPolarHBondContact O-CB 3.42Å; I121-L124 PolarHBondContact O-N 2.79Å; I121-S125 PolarHBondContact O-N 2.88Å
122	G	62.3	Low	72.4	Confident	32 Å²	32	79.9 Å²	79.9	33%	0.33	41%	0.405	S	S	.	.	H	α-helix	trans	-58.5	-46.3	175.7	0	0	0	0	0	112.1	Q118 E119 L124 S125 A126	Q118-G122 PolarHBondContact O-N 2.92Å; E119-G122 PolarHBondContact O-N 3.4Å; G122-L124 VanDerWaalsContact C-N 3.34Å; G122-L124 PolarHBondContact O-N 2.9Å; G122-S125 WeakPolarHBondContact O-CB 3.48Å; G122-S125 PolarHBondContact O-N 3.38Å; G122-S125 VanDerWaalsContact O-N 3.16Å; G122-S125 PolarHBondContact O-OG 2.96Å; G122-A126 PolarHBondContact O-N 3.18Å
123	D	60.7	Low	70.7	Confident	91 Å²	91	88.8 Å²	88.8	49%	0.487	44%	0.438	S	S	.	.	H	α-helix	trans	-63	-38.7	174.7	-86.6	-14.5	0	0	0	112.1	E119 L120 I121 S125 A126 I127	E119-D123 PolarHBondContact O-N 2.95Å; E119-D123 VanDerWaalsContact O-N 3.13Å; L120-D123 PolarHBondContact O-N 3.17Å; I121-D123 PolarHBondContact O-N 3Å; D123-S125 VanDerWaalsContact C-N 3.32Å; D123-S125 PolarHBondContact O-N 3.02Å; D123-A126 PolarHBondContact O-N 3.14Å; D123-I127 VanDerWaalsContact O-CG1 3.25Å; D123-I127 WeakPolarHBondContact O-CG1 3.38Å; D123-I127 PolarHBondContact O-N 3.38Å
124	L	58.6	Low	69.1	Low	112 Å²	112	88 Å²	88	59%	0.586	43%	0.431	S	S	*	.	H	α-helix	trans	-62.4	-38.9	173	-70.5	172.8	0	0	0	112.3	L120 I121 G122 A126 I127 H128	L120-L124 WeakPolarHBondContact O-CG 3.26Å; L120-L124 PolarHBondContact O-N 3.45Å; L120-L124 VanDerWaalsContact O-N 3.09Å; I121-L124 WeakPolarHBondContact O-CB 3.42Å; I121-L124 PolarHBondContact O-N 2.79Å; G122-L124 VanDerWaalsContact C-N 3.34Å; G122-L124 PolarHBondContact O-N 2.9Å; L124-A126 VanDerWaalsContact C-N 3.33Å; L124-A126 PolarHBondContact O-N 3.37Å; L124-I127 PolarHBondContact O-N 3.15Å; L124-H128 WeakPolarHBondContact O-CB 3.11Å; L124-H128 PolarHBondContact O-N 3.06Å
125	S	59.1	Low	67.2	Low	58 Å²	58	94.3 Å²	94.3	41%	0.406	45%	0.452	S	S	.	.	H	α-helix	trans	-66.3	-36	176.3	83.8	0	0	0	0	112.1	I121 G122 D123 K129	I121-S125 PolarHBondContact O-N 2.88Å; G122-S125 WeakPolarHBondContact O-CB 3.48Å; G122-S125 PolarHBondContact O-N 3.38Å; G122-S125 VanDerWaalsContact O-N 3.16Å; G122-S125 PolarHBondContact O-OG 2.96Å; D123-S125 VanDerWaalsContact C-N 3.32Å; D123-S125 PolarHBondContact O-N 3.02Å; S125-K129 WeakPolarHBondContact O-CG 3.47Å; S125-K129 PolarHBondContact O-N 3.29Å
126	A	60.3	Low	65.5	Low	53 Å²	53	95.7 Å²	95.7	44%	0.438	46%	0.46	S	S	.	.	H	α-helix	trans	-69.4	-41.6	174.9	0	0	0	0	0	111.4	G122 D123 L124 K129 R130	G122-A126 PolarHBondContact O-N 3.18Å; D123-A126 PolarHBondContact O-N 3.14Å; L124-A126 VanDerWaalsContact C-N 3.33Å; L124-A126 PolarHBondContact O-N 3.37Å; A126-K129 PolarHBondContact O-N 2.93Å; A126-R130 WeakPolarHBondContact O-CB 3.22Å; A126-R130 PolarHBondContact O-N 3.46Å
127	I	61.4	Low	63.3	Low	97 Å²	97	106.5 Å²	106.5	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-61	-46.9	173.3	-68.1	163.8	0	0	0	110.1	D123 L124 K129 R130 T131	D123-I127 VanDerWaalsContact O-CG1 3.25Å; D123-I127 WeakPolarHBondContact O-CG1 3.38Å; D123-I127 PolarHBondContact O-N 3.38Å; L124-I127 PolarHBondContact O-N 3.15Å; I127-K129 PolarHBondContact O-N 2.95Å; I127-R130 PolarHBondContact O-N 2.99Å; I127-R130 VanDerWaalsContact O-N 3.14Å; I127-T131 HydrophobicContact CG2-CG2 4.33Å; I127-T131 WeakPolarHBondContact O-CG2 3.49Å; I127-T131 PolarHBondContact O-N 3.06Å; I127-T131 PolarHBondContact O-OG1 3.3Å
128	H	59.1	Low	61.7	Low	102 Å²	102	111.3 Å²	111.3	47%	0.472	52%	0.519	S	S	.	.	H	α-helix	trans	-61.8	-39.7	178.4	-174.2	80.8	0	0	0	112.7	L124 T131 R132	L124-H128 WeakPolarHBondContact O-CB 3.11Å; L124-H128 PolarHBondContact O-N 3.06Å; H128-T131 PolarHBondContact O-OG1 2.96Å; H128-T131 VanDerWaalsContact O-OG1 3.12Å; H128-R132 PolarHBondContact NE2-NE 3.01Å; H128-R132 WeakPolarHBondContact O-CB 3.48Å; H128-R132 PolarHBondContact O-N 3.28Å
129	K	61.6	Low	60.1	Low	148 Å²	148	119.7 Å²	119.7	64%	0.643	56%	0.564	S	S	*	*	H	α-helix	trans	-67.1	-36.2	174.8	-75.1	177.5	-176.4	176.6	0	112.2	S125 A126 I127 R133	S125-K129 WeakPolarHBondContact O-CG 3.47Å; S125-K129 PolarHBondContact O-N 3.29Å; A126-K129 PolarHBondContact O-N 2.93Å; I127-K129 PolarHBondContact O-N 2.95Å; K129-R133 PolarHBondContact O-N 3.38Å
130	R	61.4	Low	59.2	Low	173 Å²	173	123.5 Å²	123.5	65%	0.653	58%	0.582	S	S	*	*	H	α-helix	trans	-69.3	-47.3	177.3	-173.4	175.4	178.9	166.1	2.4	111.5	A126 I127 R132 R133 E134	A126-R130 WeakPolarHBondContact O-CB 3.22Å; A126-R130 PolarHBondContact O-N 3.46Å; I127-R130 PolarHBondContact O-N 2.99Å; I127-R130 VanDerWaalsContact O-N 3.14Å; R130-R132 PolarHBondContact O-N 3.34Å; R130-R133 PolarHBondContact O-N 2.86Å; R130-R133 VanDerWaalsContact O-N 3.15Å; R130-E134 IonicContact NE-OE1 3.83Å; R130-E134 PolarHBondContact NE-OE1 3.1Å; R130-E134 PolarHBondContact O-N 2.87Å; R130-E134 VanDerWaalsContact O-N 3.07Å
131	T	65.3	Low	58.7	Low	49 Å²	49	124.5 Å²	124.5	30%	0.301	58%	0.583	S	S	.	*	H	α-helix	trans	-63	-44.8	177.3	56.1	0	0	0	0	110.7	I127 H128 R133 E134 W135	I127-T131 HydrophobicContact CG2-CG2 4.33Å; I127-T131 WeakPolarHBondContact O-CG2 3.49Å; I127-T131 PolarHBondContact O-N 3.06Å; I127-T131 PolarHBondContact O-OG1 3.3Å; H128-T131 PolarHBondContact O-OG1 2.96Å; H128-T131 VanDerWaalsContact O-OG1 3.12Å; T131-R133 PolarHBondContact O-N 2.95Å; T131-E134 PolarHBondContact O-N 3.26Å; T131-W135 PolarHBondContact O-N 3.2Å
132	R	57.3	Low	58	Low	155 Å²	155	125.6 Å²	125.6	59%	0.585	59%	0.586	S	S	*	*	H	α-helix	trans	-54.4	-38.6	173.6	-97.1	-165.3	-167.7	-137.9	2.9	113.5	H128 R130 H136	H128-R132 PolarHBondContact NE2-NE 3.01Å; H128-R132 WeakPolarHBondContact O-CB 3.48Å; H128-R132 PolarHBondContact O-N 3.28Å; R130-R132 PolarHBondContact O-N 3.34Å; R132-H136 PolarHBondContact O-CD2 3.4Å; R132-H136 VanDerWaalsContact O-CD2 3.26Å; R132-H136 PolarHBondContact O-N 3.27Å; R132-H136 VanDerWaalsContact O-N 3.11Å
133	R	54.4	Low	57.7	Low	195 Å²	195	131.1 Å²	131.1	74%	0.736	60%	0.601	S	S	*	*	H	α-helix	trans	-68.5	-36.1	176.2	-78.3	-177.3	173.1	-171.3	-2.2	112.2	K129 R130 T131	K129-R133 PolarHBondContact O-N 3.38Å; R130-R133 PolarHBondContact O-N 2.86Å; R130-R133 VanDerWaalsContact O-N 3.15Å; T131-R133 PolarHBondContact O-N 2.95Å
134	E	58.8	Low	57.5	Low	102 Å²	102	133.6 Å²	133.6	48%	0.477	61%	0.608	S	S	.	*	H	α-helix	trans	-70.8	-38.3	176.5	-71.3	170.4	-175.5	0	0	111.8	R130 T131 W137	R130-E134 IonicContact NE-OE1 3.83Å; R130-E134 PolarHBondContact NE-OE1 3.1Å; R130-E134 PolarHBondContact O-N 2.87Å; R130-E134 VanDerWaalsContact O-N 3.07Å; T131-E134 PolarHBondContact O-N 3.26Å; E134-W137 PolarHBondContact O-N 3.4Å
135	W	53.3	Low	57.4	Low	168 Å²	168	135 Å²	135	64%	0.636	61%	0.609	S	S	*	*	H	α-helix	trans	-70.9	-29.4	176.3	-71.9	102	0	0	0	113.5	T131 W137 Q138	T131-W135 PolarHBondContact O-N 3.2Å; W135-W137 PolarHBondContact O-N 3.13Å; W135-Q138 PolarHBondContact O-N 2.73Å
136	H	56.6	Low	57.3	Low	134 Å²	134	140.5 Å²	140.5	62%	0.62	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-8.9	176.9	-92.3	-64.3	0	0	0	114.7	R132	R132-H136 PolarHBondContact O-CD2 3.4Å; R132-H136 VanDerWaalsContact O-CD2 3.26Å; R132-H136 PolarHBondContact O-N 3.27Å; R132-H136 VanDerWaalsContact O-N 3.11Å
137	W	46.8	Very low	57.1	Low	230 Å²	230	147.2 Å²	147.2	87%	0.871	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	1.2	172.2	-70	111.6	0	0	0	113.4	E134 W135	E134-W137 PolarHBondContact O-N 3.4Å; W135-W137 PolarHBondContact O-N 3.13Å
138	Q	55.4	Low	56.7	Low	149 Å²	149	151.4 Å²	151.4	70%	0.696	65%	0.65	S	S	*	*			trans	-112.4	7.5	-179.7	-70	-173.6	-23.2	0	0	113.8	W135	W135-Q138 PolarHBondContact O-N 2.73Å
139	L	50.9	Low	56.5	Low	212 Å²	212	155.9 Å²	155.9	100%	1.11	67%	0.666	S	S	*	*			trans	-124.5	0	169.4	-67.9	174.5	0	0	0	109.3

Retrieved 139 of 139 residues in 78.5 ms (Link to these results)

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