A0A077Z2H1_TRITR Loading...

PHF5 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2H1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 110 aa.

						>A0A077Z2H1_TRITR|A0A077Z2H1
MAKHHPDLIFCRKQPGVAIGRLCEKCDGKCVICDSYVRPCSLVRICDECNYGSYQGRCVICGGPGVSDAYYCKECIITEKDRDGCPKIVNLGSAKTDLFYERKKYGFKKR
					

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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	57	Low	80.9	Confident	88 Å²	88	74.4 Å²	74.4	43%	0.433	38%	0.38	S	S	.	.				0	-38.3	0	-92.1	176.4	140.7	0	0	111	K3 H4 H5 L8 D34 I60	M1-K3 PolarHBondContact O-N 2.92Å; M1-H4 PolarHBondContact O-N 3.3Å; M1-H5 PolarHBondContact O-CD2 2.97Å; M1-H5 VanDerWaalsContact O-CD2 3.24Å; M1-H5 PolarHBondContact O-N 3.41Å; M1-L8 WeakPolarHBondContact O-CD1 3.41Å; M1-D34 VanDerWaalsContact C-OD2 3.3Å; M1-D34 PolarHBondContact N-OD1 2.76Å; M1-D34 PolarHBondContact N-OD2 3.42Å; M1-I60 HydrophobicContact CB-CG2 4.03Å
2	A	60.3	Low	81.9	Confident	8 Å²	8	76.6 Å²	76.6	7%	0.066	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-41.4	-174.9	0	0	0	0	0	113.5	F10 D34 I88	A2-F10 HydrophobicContact CB-CE1 4.18Å; A2-F10 HydrophobicContact CB-CZ 3.77Å; A2-D34 PolarHBondContact N-OD1 3.2Å; A2-D34 PolarHBondContact N-OD2 2.75Å; A2-I88 HydrophobicContact CB-CD1 3.88Å
3	K	69.2	Low	82.9	Confident	155 Å²	155	77.7 Å²	77.7	67%	0.674	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-24.3	-179.5	-162.2	-177.6	177.6	-173	0	113.3	M1 D34	M1-K3 PolarHBondContact O-N 2.92Å; K3-D34 PolarHBondContact N-OD2 2.55Å
4	H	80.5	Confident	83.8	Confident	142 Å²	142	84.6 Å²	84.6	66%	0.657	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-17.4	-176.7	-62.3	-73.2	0	0	0	113.4	M1 D34	M1-H4 PolarHBondContact O-N 3.3Å; H4-D34 IonicContact CD2-OD2 3.57Å
5	H	81.4	Confident	84.5	Confident	51 Å²	51	83 Å²	83	24%	0.236	41%	0.411	C	S	.	.			trans	-121.7	99.9	-175.1	-69.5	-62.6	0	0	0	108.7	M1 D7 L8 A94	M1-H5 PolarHBondContact O-CD2 2.97Å; M1-H5 VanDerWaalsContact O-CD2 3.24Å; M1-H5 PolarHBondContact O-N 3.41Å; H5-D7 VanDerWaalsContact CB-OD1 3.3Å; H5-D7 WeakPolarHBondContact CB-OD1 3.35Å; H5-D7 PolarHBondContact O-N 3.49Å; H5-L8 HydrophobicContact CB-CD1 3.65Å; H5-L8 HydrophobicContact CB-CG 3.76Å; H5-L8 PolarHBondContact O-N 2.88Å; H5-A94 WeakPolarHBondContact CE1-CB 3.27Å
6	P	85.3	Confident	85.1	Confident	130 Å²	130	78.9 Å²	78.9	84%	0.844	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-13.4	-175.7	29.8	-35.6	0	0	0	113	L8	P6-L8 VanDerWaalsContact C-N 3.3Å
7	D	89.1	Confident	85.6	Confident	51 Å²	51	81.2 Å²	81.2	27%	0.273	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-12.3	176	57.8	-47.4	0	0	0	113.2	H5 N90 G92 S93	H5-D7 VanDerWaalsContact CB-OD1 3.3Å; H5-D7 WeakPolarHBondContact CB-OD1 3.35Å; H5-D7 PolarHBondContact O-N 3.49Å; D7-N90 PolarHBondContact O-ND2 3.2Å; D7-G92 VanDerWaalsContact OD2-CA 3.26Å; D7-G92 WeakPolarHBondContact OD2-CA 3.26Å; D7-S93 WeakPolarHBondContact OD2-CB 3.33Å; D7-S93 PolarHBondContact OD2-N 3.05Å; D7-S93 PolarHBondContact OD2-OG 3.07Å
8	L	88.9	Confident	86.1	Confident	25 Å²	25	77.5 Å²	77.5	13%	0.131	40%	0.399	C	S	.	.			trans	-77.3	127.7	-179.6	-63.2	177.2	0	0	0	111.9	M1 H5 P6 I88	M1-L8 WeakPolarHBondContact O-CD1 3.41Å; H5-L8 HydrophobicContact CB-CD1 3.65Å; H5-L8 HydrophobicContact CB-CG 3.76Å; H5-L8 PolarHBondContact O-N 2.88Å; P6-L8 VanDerWaalsContact C-N 3.3Å; L8-I88 HydrophobicContact CB-CD1 4.3Å; L8-I88 HydrophobicContact CB-CG2 4.17Å; L8-I88 HydrophobicContact CD1-CD1 3.93Å; L8-I88 HydrophobicContact CD2-CG2 3.94Å; L8-I88 HydrophobicContact CG-CG2 4.49Å
9	I	91.1	Very high	86.6	Confident	101 Å²	101	77.1 Å²	77.1	52%	0.518	40%	0.397	S	S	.	.			trans	-106.5	123.7	-176.4	-57.3	171.7	0	0	0	108.9	I88 V89 N90	I9-I88 WeakPolarHBondContact O-CA 3.23Å; I9-V89 HydrophobicContact CB-CG2 4.18Å; I9-V89 HydrophobicContact CG2-CG2 4.03Å; I9-V89 VanDerWaalsContact O-CG2 3.23Å; I9-V89 WeakPolarHBondContact O-CG2 3.3Å; I9-V89 PolarHBondContact O-N 3.2Å; I9-V89 VanDerWaalsContact O-N 3.07Å; I9-N90 PolarHBondContact N-OD1 2.71Å
10	F	92.5	Very high	87	Confident	43 Å²	43	73.2 Å²	73.2	19%	0.189	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-81.2	146.6	172.2	-64.8	-76.4	0	0	0	111.3	A2 R12 P86 K87 I88	A2-F10 HydrophobicContact CB-CE1 4.18Å; A2-F10 HydrophobicContact CB-CZ 3.77Å; F10-R12 HydrophobicContact CB-CG 3.96Å; F10-P86 HydrophobicContact CD1-CB 4.49Å; F10-P86 WeakPolarHBondContact CD1-O 3.39Å; F10-K87 CarbonylContact C-O 3.51Å; F10-I88 HydrophobicContact CD1-CG1 4.17Å; F10-I88 HydrophobicContact CE1-CD1 4.46Å; F10-I88 HydrophobicContact CE1-CG1 4.11Å
11	C	94.1	Very high	87.4	Confident	24 Å²	24	74.5 Å²	74.5	16%	0.162	38%	0.377	C	S	.	.			trans	-63	-46.1	179	-178.7	0	0	0	0	112.9	K13 C49 C85 K87 V89	C11-K13 PolarHBondContact O-N 2.89Å; C11-K13 VanDerWaalsContact SG-CG 3.56Å; C11-C49 VanDerWaalsContact SG-SG 3.61Å; C11-C85 HydrophobicContact CB-CB 4.22Å; C11-K87 HydrophobicContact CB-CB 4.27Å; C11-K87 WeakPolarHBondContact CB-O 3.42Å; C11-K87 PolarHBondContact N-O 3.39Å; C11-V89 HydrophobicContact CB-CG1 4.12Å
12	R	93.6	Very high	89.2	Confident	101 Å²	101	70.4 Å²	70.4	38%	0.381	36%	0.357	S	S	.	.			trans	56.2	11.3	179.4	-54.4	-60	-162	172.3	21.2	116.3	F10 D83 C85	F10-R12 HydrophobicContact CB-CG 3.96Å; R12-D83 VanDerWaalsContact CZ-CB 3.48Å; R12-D83 IonicContact CZ-OD2 2.58Å; R12-D83 IonicContact NH1-OD2 2.93Å; R12-D83 PolarHBondContact NH1-OD2 2.86Å; R12-D83 IonicContact NH2-OD2 3.2Å; R12-D83 PolarHBondContact NH2-OD2 3.38Å; R12-C85 PolarHBondContact N-O 2.92Å
13	K	95.3	Very high	90.9	Very high	91 Å²	91	70.5 Å²	70.5	40%	0.396	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-67.2	162.1	170	-68.2	-179.5	-177.9	-176.2	0	111.4	C11 C46 E48 C85	C11-K13 PolarHBondContact O-N 2.89Å; C11-K13 VanDerWaalsContact SG-CG 3.56Å; K13-C46 HydrophobicContact CB-CB 3.88Å; K13-E48 IonicContact NZ-OE1 2.81Å; K13-E48 PolarHBondContact NZ-OE1 2.8Å; K13-E48 IonicContact NZ-OE2 2.76Å; K13-E48 PolarHBondContact NZ-OE2 3.32Å; K13-C85 VanDerWaalsContact O-CB 3.3Å; K13-C85 WeakPolarHBondContact O-CB 3.42Å; K13-C85 PolarHBondContact O-N 2.71Å
14	Q	94.3	Very high	92.1	Very high	174 Å²	174	70.4 Å²	70.4	81%	0.813	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-55.8	124.9	178.8	-171.2	166.8	12.4	0	0	110.8	C46	Q14-C46 WeakPolarHBondContact O-CA 3.37Å; Q14-C46 WeakPolarHBondContact O-CB 3.47Å
15	P	94.8	Very high	92.6	Very high	61 Å²	61	72.4 Å²	72.4	40%	0.396	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-69.6	136.7	-179.8	27	-31.4	0	0	0	110.2	R44	P15-R44 HydrophobicContact CB-CB 3.8Å
16	G	93.5	Very high	93.1	Very high	17 Å²	17	70.2 Å²	70.2	18%	0.175	36%	0.356	C	S	.	.			trans	-94.4	-154.5	177.4	0	0	0	0	0	112.3	I45	G16-I45 PolarHBondContact N-O 3.24Å
17	V	94.2	Very high	93.4	Very high	119 Å²	119	68.1 Å²	68.1	72%	0.721	34%	0.338	S	S	*	.	S	Bend	trans	-84.7	-18.8	177.7	-65.8	0	0	0	0	113.3
18	A	94.7	Very high	93.6	Very high	14 Å²	14	67.9 Å²	67.9	12%	0.116	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-67.7	134.2	-175.5	0	0	0	0	0	112.4	R44 I45 N50	A18-R44 WeakPolarHBondContact O-CA 3.42Å; A18-I45 HydrophobicContact CB-CD1 4.21Å; A18-I45 HydrophobicContact CB-CG1 3.71Å; A18-I45 WeakPolarHBondContact O-CG1 3.44Å; A18-I45 PolarHBondContact O-N 3.06Å; A18-N50 HydrophobicContact CB-CB 3.92Å; A18-N50 WeakPolarHBondContact CB-ND2 3.2Å
19	I	95	Very high	93.8	Very high	69 Å²	69	68.3 Å²	68.3	35%	0.354	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-83.8	131.1	176.6	-59.9	174.6	0	0	0	109.1	L42 D68	I19-L42 HydrophobicContact CG2-CD2 4.21Å; I19-D68 HydrophobicContact CG2-CB 4.15Å
20	G	94.9	Very high	93.9	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-68.8	141.6	174	0	0	0	0	0	111.7	V43 A69	G20-V43 PolarHBondContact N-O 3.33Å; G20-A69 VanDerWaalsContact O-CB 3.27Å; G20-A69 WeakPolarHBondContact O-CB 3.47Å; G20-A69 PolarHBondContact O-N 3.19Å
21	R	95.7	Very high	94	Very high	101 Å²	101	61.6 Å²	61.6	38%	0.381	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	154.8	177.5	-60.2	-80	-111.5	-147.6	-5.9	111.3	C58 V59 S67 D68	R21-C58 CarbonylContact O-C 3.53Å; R21-C58 WeakPolarHBondContact O-CA 3.22Å; R21-V59 WeakPolarHBondContact O-CG2 3.32Å; R21-V59 PolarHBondContact O-N 3.32Å; R21-S67 CarbonylContact C-O 3.42Å; R21-S67 WeakPolarHBondContact CA-O 3.49Å; R21-D68 WeakPolarHBondContact CD-OD1 3.48Å; R21-D68 IonicContact CZ-OD1 3.67Å; R21-D68 IonicContact NE-OD1 3.82Å; R21-D68 IonicContact NH1-OD1 2.75Å; R21-D68 PolarHBondContact NH1-OD1 2.89Å
22	L	95.1	Very high	93.9	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	146.3	171.2	-65.9	171.5	0	0	0	109.8	C26 K29 V59 I60 G65 V66 S67 A69	L22-C26 HydrophobicContact CB-CB 4.36Å; L22-C26 WeakPolarHBondContact CD1-O 3.31Å; L22-C26 HydrophobicContact CD2-CB 4.2Å; L22-K29 WeakPolarHBondContact CD1-O 3.49Å; L22-V59 HydrophobicContact CD2-CB 4.46Å; L22-I60 HydrophobicContact CD2-CD1 3.77Å; L22-I60 HydrophobicContact CD2-CG1 3.85Å; L22-G65 CarbonylContact O-C 3.47Å; L22-G65 WeakPolarHBondContact O-CA 3.48Å; L22-V66 PolarHBondContact O-N 3.2Å; L22-S67 PolarHBondContact N-O 3.15Å; L22-S67 PolarHBondContact O-N 2.96Å; L22-A69 HydrophobicContact CD1-CB 4.03Å; L22-A69 HydrophobicContact CD2-CB 4.26Å; L22-A69 HydrophobicContact CG-CB 3.75Å
23	C	95.1	Very high	93.8	Very high	9 Å²	9	58 Å²	58	6%	0.061	30%	0.303	C	S	.	.			trans	-80	166.7	171.2	68.6	0	0	0	0	110.5	K25 C26 D27 C58 C61 P64	C23-K25 PolarHBondContact O-N 3.34Å; C23-K25 VanDerWaalsContact O-N 3.08Å; C23-C26 CarbonylContact O-C 3.59Å; C23-C26 WeakPolarHBondContact O-CA 3.37Å; C23-C26 PolarHBondContact O-N 2.86Å; C23-D27 PolarHBondContact O-N 3Å; C23-C58 HydrophobicContact CB-CB 3.82Å; C23-C58 PolarHBondContact N-SG 3.43Å; C23-C61 PolarHBondContact SG-SG 3.19Å; C23-P64 VanDerWaalsContact CA-O 3.3Å; C23-P64 WeakPolarHBondContact CA-O 3.01Å; C23-P64 WeakPolarHBondContact CB-O 3.26Å
24	E	94.7	Very high	93.6	Very high	154 Å²	154	54.2 Å²	54.2	72%	0.72	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-51.7	-36.1	178.5	-60.5	175.8	169.1	0	0	113.6	C26 V66	E24-C26 VanDerWaalsContact C-N 3.28Å; E24-C26 PolarHBondContact O-N 2.75Å; E24-V66 HydrophobicContact CG-CB 4.47Å; E24-V66 HydrophobicContact CG-CG2 3.83Å
25	K	91.4	Very high	93.4	Very high	184 Å²	184	47.3 Å²	47.3	80%	0.8	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-74.5	-19.4	179.5	-60.1	-177	-179	-178.6	0	113.8	C23 K29	C23-K25 PolarHBondContact O-N 3.34Å; C23-K25 VanDerWaalsContact O-N 3.08Å; K25-K29 PolarHBondContact O-NZ 3.24Å
26	C	91.3	Very high	93.3	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.034	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-110.7	5.2	-177.6	-69.9	0	0	0	0	112	L22 C23 E24 K29 I60	L22-C26 HydrophobicContact CB-CB 4.36Å; L22-C26 WeakPolarHBondContact CD1-O 3.31Å; L22-C26 HydrophobicContact CD2-CB 4.2Å; C23-C26 CarbonylContact O-C 3.59Å; C23-C26 WeakPolarHBondContact O-CA 3.37Å; C23-C26 PolarHBondContact O-N 2.86Å; E24-C26 VanDerWaalsContact C-N 3.28Å; E24-C26 PolarHBondContact O-N 2.75Å; C26-K29 HydrophobicContact CB-CD 4.48Å; C26-K29 WeakPolarHBondContact O-CB 3.47Å; C26-K29 WeakPolarHBondContact O-CG 3.49Å; C26-K29 PolarHBondContact O-N 3.36Å; C26-I60 HydrophobicContact CB-CD1 4.26Å
27	D	93.3	Very high	93.3	Very high	86 Å²	86	55.3 Å²	55.3	46%	0.46	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	144.5	-172.6	-164.1	16.4	0	0	0	112.2	C23 K29 S67	C23-D27 PolarHBondContact O-N 3Å; D27-K29 PolarHBondContact O-N 3.11Å; D27-K29 VanDerWaalsContact O-N 3.1Å; D27-S67 VanDerWaalsContact CG-OG 3.24Å; D27-S67 WeakPolarHBondContact OD1-CB 3.36Å; D27-S67 PolarHBondContact OD1-OG 3.48Å
28	G	91.5	Very high	93.2	Very high	45 Å²	45	58.1 Å²	58.1	46%	0.464	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	-3.9	-177.2	0	0	0	0	0	116.2	Y36	G28-Y36 WeakPolarHBondContact O-CA 3.42Å
29	K	93.5	Very high	93.2	Very high	35 Å²	35	61.7 Å²	61.7	15%	0.152	31%	0.306	C	S	.	.			trans	-77.9	134.2	-179.6	-67.6	175.7	-179.3	154.2	0	111.8	L22 K25 C26 D27 V31 S35 Y36 I60	L22-K29 WeakPolarHBondContact CD1-O 3.49Å; K25-K29 PolarHBondContact O-NZ 3.24Å; C26-K29 HydrophobicContact CB-CD 4.48Å; C26-K29 WeakPolarHBondContact O-CB 3.47Å; C26-K29 WeakPolarHBondContact O-CG 3.49Å; C26-K29 PolarHBondContact O-N 3.36Å; D27-K29 PolarHBondContact O-N 3.11Å; D27-K29 VanDerWaalsContact O-N 3.1Å; K29-V31 PolarHBondContact O-N 3.14Å; K29-S35 CarbonylContact C-O 3.44Å; K29-Y36 HydrophobicContact CD-CE1 4.14Å; K29-Y36 WeakPolarHBondContact CE-OH 3.17Å; K29-Y36 HydrophobicContact CG-CD1 3.87Å; K29-Y36 HydrophobicContact CG-CE1 3.35Å; K29-Y36 PolarHBondContact NZ-OH 2.77Å; K29-I60 HydrophobicContact CB-CD1 4.15Å
30	C	94.2	Very high	93.1	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.02	31%	0.313	C	S	.	.			trans	-62.3	130.9	162	-179.2	0	0	0	0	109.8	I32 D34 S35 Y70 C72	C30-I32 PolarHBondContact O-N 3.07Å; C30-D34 WeakPolarHBondContact O-CA 3.46Å; C30-D34 PolarHBondContact O-N 2.75Å; C30-S35 WeakPolarHBondContact CB-O 3.18Å; C30-S35 PolarHBondContact N-O 3.27Å; C30-Y70 WeakPolarHBondContact CA-O 3.28Å; C30-C72 HydrophobicContact CB-CB 3.89Å; C30-C72 PolarHBondContact SG-N 3.28Å
31	V	93.1	Very high	93.1	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-24.6	-174	-163	0	0	0	0	113.1	K29 V43 V59 I60 A69 P86	K29-V31 PolarHBondContact O-N 3.14Å; V31-V43 HydrophobicContact CG2-CB 4.4Å; V31-V43 HydrophobicContact CG2-CG1 4.33Å; V31-V43 HydrophobicContact CG2-CG2 3.49Å; V31-V43 VanDerWaalsContact CG2-CG2 3.49Å; V31-V59 HydrophobicContact CG1-CB 4.21Å; V31-V59 HydrophobicContact CG1-CG1 3.47Å; V31-V59 VanDerWaalsContact CG1-CG1 3.47Å; V31-I60 HydrophobicContact CG1-CG1 4.26Å; V31-A69 HydrophobicContact CG2-CB 4Å; V31-P86 HydrophobicContact CB-CB 4.35Å; V31-P86 HydrophobicContact CB-CG 4.49Å; V31-P86 HydrophobicContact CG1-CB 3.76Å; V31-P86 HydrophobicContact CG1-CG 4.01Å
32	I	92.5	Very high	93	Very high	19 Å²	19	62.5 Å²	62.5	10%	0.097	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-56.4	-175.5	-56.8	-178.4	0	0	0	111.1	C30 Y71 C75 K80	C30-I32 PolarHBondContact O-N 3.07Å; I32-Y71 HydrophobicContact CD1-CD1 3.81Å; I32-Y71 HydrophobicContact CD1-CE1 3.68Å; I32-Y71 HydrophobicContact CG1-CD1 4.05Å; I32-Y71 HydrophobicContact CG1-CE1 3.91Å; I32-C75 HydrophobicContact CD1-CB 4.36Å; I32-K80 HydrophobicContact CD1-CB 3.63Å; I32-K80 WeakPolarHBondContact CD1-O 3.21Å; I32-K80 HydrophobicContact CG2-CB 4.46Å; I32-K80 HydrophobicContact CG2-CD 4.09Å
33	C	90.9	Very high	93.1	Very high	29 Å²	29	62.4 Å²	62.4	20%	0.196	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-0.4	-172.6	67	0	0	0	0	114.6	S35 C72 C75	C33-S35 PolarHBondContact O-N 2.8Å; C33-S35 VanDerWaalsContact O-N 3.15Å; C33-S35 PolarHBondContact SG-OG 2.92Å; C33-C72 PolarHBondContact SG-SG 2.97Å; C33-C75 VanDerWaalsContact SG-SG 3.6Å
34	D	91.1	Very high	93.1	Very high	12 Å²	12	67.6 Å²	67.6	6%	0.064	35%	0.345	C	S	.	.			trans	59.6	14.2	-175.7	-62.7	-62.5	0	0	0	114.9	M1 A2 K3 H4 C30	M1-D34 VanDerWaalsContact C-OD2 3.3Å; M1-D34 PolarHBondContact N-OD1 2.76Å; M1-D34 PolarHBondContact N-OD2 3.42Å; A2-D34 PolarHBondContact N-OD1 3.2Å; A2-D34 PolarHBondContact N-OD2 2.75Å; K3-D34 PolarHBondContact N-OD2 2.55Å; H4-D34 IonicContact CD2-OD2 3.57Å; C30-D34 WeakPolarHBondContact O-CA 3.46Å; C30-D34 PolarHBondContact O-N 2.75Å
35	S	91.2	Very high	93.1	Very high	29 Å²	29	60.5 Å²	60.5	20%	0.203	31%	0.312	C	S	.	.			trans	-72.1	147.8	176.3	74.8	0	0	0	0	112	K29 C30 C33 C72	K29-S35 CarbonylContact C-O 3.44Å; C30-S35 WeakPolarHBondContact CB-O 3.18Å; C30-S35 PolarHBondContact N-O 3.27Å; C33-S35 PolarHBondContact O-N 2.8Å; C33-S35 VanDerWaalsContact O-N 3.15Å; C33-S35 PolarHBondContact SG-OG 2.92Å; S35-C72 WeakPolarHBondContact OG-CB 3.36Å; S35-C72 PolarHBondContact OG-SG 3.41Å
36	Y	91.8	Very high	93.4	Very high	151 Å²	151	51.9 Å²	51.9	59%	0.592	28%	0.275	S	S	*	.			trans	-98.3	0.3	179.3	-63.5	-88.3	0	0	0	114.1	G28 K29	G28-Y36 WeakPolarHBondContact O-CA 3.42Å; K29-Y36 HydrophobicContact CD-CE1 4.14Å; K29-Y36 WeakPolarHBondContact CE-OH 3.17Å; K29-Y36 HydrophobicContact CG-CD1 3.87Å; K29-Y36 HydrophobicContact CG-CE1 3.35Å; K29-Y36 PolarHBondContact NZ-OH 2.77Å
37	V	93.3	Very high	93.5	Very high	96 Å²	96	56.8 Å²	56.8	58%	0.582	30%	0.301	S	S	*	.	S	Bend	trans	-114.2	145.4	-167.7	-67.6	0	0	0	0	111.8
38	R	93.1	Very high	93.5	Very high	178 Å²	178	58.6 Å²	58.6	67%	0.672	31%	0.307	S	S	*	.			trans	56.4	60	173.2	-58.1	174.8	173.1	177.6	-3.2	113.3	C72 K73	R38-C72 CarbonylContact O-C 3.54Å; R38-C72 VanDerWaalsContact O-CA 3.31Å; R38-C72 WeakPolarHBondContact O-CA 3.27Å; R38-K73 HydrophobicContact CB-CB 4.15Å; R38-K73 PolarHBondContact O-N 3.44Å
39	P	94.6	Very high	93.6	Very high	88 Å²	88	57.2 Å²	57.2	57%	0.571	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	138.4	167.2	28.9	-34.1	0	0	0	109.6	Y70	P39-Y70 HydrophobicContact CB-CD1 4.18Å; P39-Y70 HydrophobicContact CB-CG 3.88Å
40	C	93.3	Very high	93.7	Very high	73 Å²	73	57.5 Å²	57.5	49%	0.493	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	-41.8	-170.5	-175.5	0	0	0	0	112.9	Y71 K73 I76	C40-Y71 PolarHBondContact N-O 2.95Å; C40-K73 HydrophobicContact CB-CB 4.02Å; C40-I76 HydrophobicContact CB-CD1 3.51Å
41	S	94	Very high	93.6	Very high	50 Å²	50	66 Å²	66	35%	0.35	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	147.6	177	-176.8	0	0	0	0	111.6	Y70 Y71	S41-Y70 CarbonylContact O-C 3.55Å; S41-Y70 WeakPolarHBondContact O-CA 3.47Å; S41-Y70 WeakPolarHBondContact O-CD1 3.21Å; S41-Y71 PolarHBondContact N-O 3.47Å; S41-Y71 PolarHBondContact O-N 2.8Å
42	L	94.9	Very high	93.6	Very high	64 Å²	64	67.7 Å²	67.7	34%	0.335	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	143.8	175.1	-79.6	163.9	0	0	0	111	I19 D68 Y70	I19-L42 HydrophobicContact CG2-CD2 4.21Å; L42-D68 HydrophobicContact CD2-CB 4.04Å; L42-Y70 HydrophobicContact CD2-CD1 4.02Å; L42-Y70 HydrophobicContact CD2-CE1 3.4Å; L42-Y70 VanDerWaalsContact CD2-CE1 3.4Å; L42-Y70 HydrophobicContact CD2-CE2 4.03Å; L42-Y70 HydrophobicContact CG-CD1 4.22Å; L42-Y70 HydrophobicContact CG-CE1 3.63Å
43	V	95.8	Very high	93.6	Very high	0 Å²	0	71 Å²	71	0%	0	37%	0.368	C	S	.	.			trans	-85.1	131.1	178.4	172.4	0	0	0	0	110.3	G20 V31 A69 Y71 P86	G20-V43 PolarHBondContact N-O 3.33Å; V31-V43 HydrophobicContact CG2-CB 4.4Å; V31-V43 HydrophobicContact CG2-CG1 4.33Å; V31-V43 HydrophobicContact CG2-CG2 3.49Å; V31-V43 VanDerWaalsContact CG2-CG2 3.49Å; V43-A69 HydrophobicContact CB-CB 3.84Å; V43-A69 WeakPolarHBondContact CB-O 3.35Å; V43-A69 HydrophobicContact CG1-CB 4.39Å; V43-A69 HydrophobicContact CG2-CB 3.93Å; V43-A69 WeakPolarHBondContact CG2-O 2.78Å; V43-A69 PolarHBondContact N-O 3.41Å; V43-Y71 HydrophobicContact CB-CE2 4.1Å; V43-Y71 HydrophobicContact CG1-CE2 4.36Å; V43-Y71 HydrophobicContact CG2-CD1 4Å; V43-Y71 HydrophobicContact CG2-CD2 3.74Å; V43-Y71 HydrophobicContact CG2-CE1 3.91Å; V43-Y71 HydrophobicContact CG2-CE2 3.69Å; V43-Y71 HydrophobicContact CG2-CG 3.92Å; V43-P86 HydrophobicContact CG1-CG 3.38Å
44	R	95.6	Very high	93.6	Very high	118 Å²	118	75.8 Å²	75.8	45%	0.445	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-104.1	137.2	172.4	-64	-71.1	-177.6	105.5	-4.5	110.5	P15 A18 P86	P15-R44 HydrophobicContact CB-CB 3.8Å; A18-R44 WeakPolarHBondContact O-CA 3.42Å; R44-P86 WeakPolarHBondContact O-CD 3.49Å
45	I	95.8	Very high	93.6	Very high	5 Å²	5	81 Å²	81	3%	0.026	41%	0.407	C	S	.	.			trans	-111.1	152	177.2	51.6	175.4	0	0	0	110.7	G16 A18 N50 V59	G16-I45 PolarHBondContact N-O 3.24Å; A18-I45 HydrophobicContact CB-CD1 4.21Å; A18-I45 HydrophobicContact CB-CG1 3.71Å; A18-I45 WeakPolarHBondContact O-CG1 3.44Å; A18-I45 PolarHBondContact O-N 3.06Å; I45-N50 HydrophobicContact CD1-CB 3.67Å; I45-N50 HydrophobicContact CG1-CB 4.21Å; I45-V59 HydrophobicContact CG2-CG2 4.04Å
46	C	96.1	Very high	93.7	Very high	4 Å²	4	81.2 Å²	81.2	3%	0.027	41%	0.413	C	S	.	.			trans	-70	156.9	175.7	67.2	0	0	0	0	110.9	K13 Q14 E48 C49 N50 C85	K13-C46 HydrophobicContact CB-CB 3.88Å; Q14-C46 WeakPolarHBondContact O-CA 3.37Å; Q14-C46 WeakPolarHBondContact O-CB 3.47Å; C46-E48 VanDerWaalsContact C-N 3.26Å; C46-E48 PolarHBondContact O-N 3.23Å; C46-C49 PolarHBondContact O-N 3.16Å; C46-C49 VanDerWaalsContact O-N 3.16Å; C46-C49 VanDerWaalsContact SG-CB 3.55Å; C46-C49 PolarHBondContact SG-SG 2.81Å; C46-N50 PolarHBondContact O-N 2.93Å; C46-C85 HydrophobicContact CB-CB 3.91Å; C46-C85 PolarHBondContact N-SG 3.45Å
47	D	93.6	Very high	93.8	Very high	108 Å²	108	78.7 Å²	78.7	58%	0.578	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-34.6	-174.7	-61	-37.7	0	0	0	112.3	C49 N50 Y51	D47-C49 PolarHBondContact O-N 3.29Å; D47-N50 CarbonylContact O-C 3.58Å; D47-N50 PolarHBondContact O-N 2.81Å; D47-N50 VanDerWaalsContact O-N 3.15Å; D47-Y51 PolarHBondContact O-N 3.34Å
48	E	93.8	Very high	93.9	Very high	124 Å²	124	74.1 Å²	74.1	58%	0.579	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-65.8	-38.4	177.6	-165.2	-179.1	141.8	0	0	112.6	K13 C46 N50 Y51	K13-E48 IonicContact NZ-OE1 2.81Å; K13-E48 PolarHBondContact NZ-OE1 2.8Å; K13-E48 IonicContact NZ-OE2 2.76Å; K13-E48 PolarHBondContact NZ-OE2 3.32Å; C46-E48 VanDerWaalsContact C-N 3.26Å; C46-E48 PolarHBondContact O-N 3.23Å; E48-N50 PolarHBondContact O-N 2.76Å; E48-Y51 PolarHBondContact O-N 2.78Å
49	C	94.5	Very high	93.9	Very high	15 Å²	15	65.7 Å²	65.7	10%	0.101	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-72.8	-12.7	176.1	-77.6	0	0	0	0	113.4	C11 C46 D47 Y54 K87	C11-C49 VanDerWaalsContact SG-SG 3.61Å; C46-C49 PolarHBondContact O-N 3.16Å; C46-C49 VanDerWaalsContact O-N 3.16Å; C46-C49 VanDerWaalsContact SG-CB 3.55Å; C46-C49 PolarHBondContact SG-SG 2.81Å; D47-C49 PolarHBondContact O-N 3.29Å; C49-Y54 WeakPolarHBondContact O-CB 3.43Å; C49-K87 HydrophobicContact CB-CB 4.1Å; C49-K87 HydrophobicContact CB-CG 3.95Å
50	N	93.8	Very high	93.8	Very high	42 Å²	42	62 Å²	62	23%	0.225	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-115.1	22.1	179	-163.8	45.5	0	0	0	113	A18 I45 C46 D47 E48 Q55	A18-N50 HydrophobicContact CB-CB 3.92Å; A18-N50 WeakPolarHBondContact CB-ND2 3.2Å; I45-N50 HydrophobicContact CD1-CB 3.67Å; I45-N50 HydrophobicContact CG1-CB 4.21Å; C46-N50 PolarHBondContact O-N 2.93Å; D47-N50 CarbonylContact O-C 3.58Å; D47-N50 PolarHBondContact O-N 2.81Å; D47-N50 VanDerWaalsContact O-N 3.15Å; E48-N50 PolarHBondContact O-N 2.76Å; N50-Q55 WeakPolarHBondContact O-CG 3.46Å; N50-Q55 WeakPolarHBondContact OD1-CA 3.47Å
51	Y	93.2	Very high	93.6	Very high	181 Å²	181	60.4 Å²	60.4	71%	0.71	31%	0.308	S	S	*	.	S	Bend	trans	-92.9	135	-178	-175.2	-106.7	0	0	0	112.9	D47 E48 S53 Y54	D47-Y51 PolarHBondContact O-N 3.34Å; E48-Y51 PolarHBondContact O-N 2.78Å; Y51-S53 PolarHBondContact O-N 2.87Å; Y51-Y54 WeakPolarHBondContact O-CB 3.43Å; Y51-Y54 PolarHBondContact O-N 3.1Å
52	G	93.2	Very high	93.4	Very high	36 Å²	36	59.5 Å²	59.5	37%	0.371	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	52.9	-122.2	172.4	0	0	0	0	0	113.9	Y54 Q55	G52-Y54 PolarHBondContact O-N 3.03Å; G52-Y54 VanDerWaalsContact O-N 3.08Å; G52-Q55 VanDerWaalsContact O-CB 3.26Å; G52-Q55 WeakPolarHBondContact O-CB 3.08Å; G52-Q55 VanDerWaalsContact O-CG 3.25Å; G52-Q55 WeakPolarHBondContact O-CG 3.47Å; G52-Q55 PolarHBondContact O-N 3.03Å
53	S	91.3	Very high	93.2	Very high	87 Å²	87	57.5 Å²	57.5	61%	0.608	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-63.9	-12.6	-179.3	57.6	0	0	0	0	115	Y51 Q55 R57	Y51-S53 PolarHBondContact O-N 2.87Å; S53-Q55 VanDerWaalsContact C-N 3.33Å; S53-R57 PolarHBondContact O-NE 3.08Å; S53-R57 PolarHBondContact O-NH2 3.31Å
54	Y	91.1	Very high	93.2	Very high	131 Å²	131	62.6 Å²	62.6	51%	0.514	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-83.9	-9.4	175	-64.2	-67.3	0	0	0	113.3	C49 Y51 G52 R57	C49-Y54 WeakPolarHBondContact O-CB 3.43Å; Y51-Y54 WeakPolarHBondContact O-CB 3.43Å; Y51-Y54 PolarHBondContact O-N 3.1Å; G52-Y54 PolarHBondContact O-N 3.03Å; G52-Y54 VanDerWaalsContact O-N 3.08Å; Y54-R57 WeakPolarHBondContact O-CB 3.44Å; Y54-R57 WeakPolarHBondContact O-CG 3.3Å; Y54-R57 PolarHBondContact O-N 3.09Å
55	Q	92.4	Very high	93.1	Very high	122 Å²	122	57.9 Å²	57.9	57%	0.57	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	138.3	176.9	-74.4	177.8	-5.8	0	0	112.1	N50 G52 S53 R57	N50-Q55 WeakPolarHBondContact O-CG 3.46Å; N50-Q55 WeakPolarHBondContact OD1-CA 3.47Å; G52-Q55 VanDerWaalsContact O-CB 3.26Å; G52-Q55 WeakPolarHBondContact O-CB 3.08Å; G52-Q55 VanDerWaalsContact O-CG 3.25Å; G52-Q55 WeakPolarHBondContact O-CG 3.47Å; G52-Q55 PolarHBondContact O-N 3.03Å; S53-Q55 VanDerWaalsContact C-N 3.33Å; Q55-R57 PolarHBondContact O-N 3.29Å; Q55-R57 VanDerWaalsContact O-N 3.09Å
56	G	91.8	Very high	93.1	Very high	32 Å²	32	61.8 Å²	61.8	33%	0.33	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	14.7	176.8	0	0	0	0	0	114.4	G65	G56-G65 WeakPolarHBondContact O-CA 3.18Å; G56-G65 PolarHBondContact O-N 3.34Å
57	R	94.7	Very high	93	Very high	99 Å²	99	62.9 Å²	62.9	37%	0.374	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-84.1	143.6	177.7	-68.2	-164.9	-175.8	-162.8	4.2	112.5	S53 Y54 Q55 V59 G62 G63 K87	S53-R57 PolarHBondContact O-NE 3.08Å; S53-R57 PolarHBondContact O-NH2 3.31Å; Y54-R57 WeakPolarHBondContact O-CB 3.44Å; Y54-R57 WeakPolarHBondContact O-CG 3.3Å; Y54-R57 PolarHBondContact O-N 3.09Å; Q55-R57 PolarHBondContact O-N 3.29Å; Q55-R57 VanDerWaalsContact O-N 3.09Å; R57-V59 PolarHBondContact O-N 2.86Å; R57-G62 WeakPolarHBondContact CD-O 3.27Å; R57-G63 CarbonylContact C-O 3.44Å; R57-G63 WeakPolarHBondContact CA-O 3.35Å; R57-K87 PolarHBondContact O-NZ 3.34Å
58	C	94.6	Very high	93.1	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-51.8	127.2	176.1	-178.7	0	0	0	0	111.9	R21 C23 I60 C61 G62 G63 K87	R21-C58 CarbonylContact O-C 3.53Å; R21-C58 WeakPolarHBondContact O-CA 3.22Å; C23-C58 HydrophobicContact CB-CB 3.82Å; C23-C58 PolarHBondContact N-SG 3.43Å; C58-I60 VanDerWaalsContact C-N 3.26Å; C58-I60 PolarHBondContact O-N 2.85Å; C58-C61 PolarHBondContact SG-SG 3.49Å; C58-G62 WeakPolarHBondContact O-CA 3.46Å; C58-G62 PolarHBondContact O-N 3.25Å; C58-G63 WeakPolarHBondContact CB-O 3.25Å; C58-G63 PolarHBondContact N-O 3.15Å; C58-K87 VanDerWaalsContact C-NZ 3.33Å; C58-K87 PolarHBondContact O-NZ 2.77Å
59	V	93.8	Very high	93.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-30.3	-177	-177.2	0	0	0	0	112.5	R21 L22 V31 I45 R57 A69 P86 K87 I88	R21-V59 WeakPolarHBondContact O-CG2 3.32Å; R21-V59 PolarHBondContact O-N 3.32Å; L22-V59 HydrophobicContact CD2-CB 4.46Å; V31-V59 HydrophobicContact CG1-CB 4.21Å; V31-V59 HydrophobicContact CG1-CG1 3.47Å; V31-V59 VanDerWaalsContact CG1-CG1 3.47Å; I45-V59 HydrophobicContact CG2-CG2 4.04Å; R57-V59 PolarHBondContact O-N 2.86Å; V59-A69 HydrophobicContact CG2-CB 4.43Å; V59-P86 HydrophobicContact CG1-CG 4.19Å; V59-P86 VanDerWaalsContact CG1-O 3.28Å; V59-P86 WeakPolarHBondContact CG1-O 3.33Å; V59-K87 HydrophobicContact CB-CD 4.32Å; V59-K87 HydrophobicContact CG1-CB 4.35Å; V59-K87 HydrophobicContact CG1-CD 4.18Å; V59-I88 PolarHBondContact O-N 3.28Å; V59-I88 VanDerWaalsContact O-N 3.1Å
60	I	91.9	Very high	93.2	Very high	11 Å²	11	58.1 Å²	58.1	6%	0.056	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-47.3	-176.6	-56.9	175.5	0	0	0	112.1	M1 L22 C26 K29 V31 C58 I88	M1-I60 HydrophobicContact CB-CG2 4.03Å; L22-I60 HydrophobicContact CD2-CD1 3.77Å; L22-I60 HydrophobicContact CD2-CG1 3.85Å; C26-I60 HydrophobicContact CB-CD1 4.26Å; K29-I60 HydrophobicContact CB-CD1 4.15Å; V31-I60 HydrophobicContact CG1-CG1 4.26Å; C58-I60 VanDerWaalsContact C-N 3.26Å; C58-I60 PolarHBondContact O-N 2.85Å; I60-I88 HydrophobicContact CG2-CD1 4.13Å; I60-I88 WeakPolarHBondContact O-CD1 3.14Å
61	C	89.5	Confident	93.3	Very high	39 Å²	39	56.6 Å²	56.6	26%	0.264	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-6.6	-167.8	75.6	0	0	0	0	115.2	C23 C58 G63 K95	C23-C61 PolarHBondContact SG-SG 3.19Å; C58-C61 PolarHBondContact SG-SG 3.49Å; C61-G63 VanDerWaalsContact C-N 3.26Å; C61-G63 PolarHBondContact O-N 3.35Å; C61-G63 PolarHBondContact SG-N 3.32Å; C61-K95 PolarHBondContact O-NZ 3.44Å
62	G	90.1	Very high	93.4	Very high	32 Å²	32	48.2 Å²	48.2	33%	0.33	28%	0.284	S	S	.	.			trans	73.3	4.8	-178.2	0	0	0	0	0	116	R57 C58	R57-G62 WeakPolarHBondContact CD-O 3.27Å; C58-G62 WeakPolarHBondContact O-CA 3.46Å; C58-G62 PolarHBondContact O-N 3.25Å
63	G	91.5	Very high	93.5	Very high	21 Å²	21	51.7 Å²	51.7	22%	0.216	29%	0.289	C	S	.	.	S	Bend	trans	-72	179	173.6	0	0	0	0	0	113.8	R57 C58 C61 G65	R57-G63 CarbonylContact C-O 3.44Å; R57-G63 WeakPolarHBondContact CA-O 3.35Å; C58-G63 WeakPolarHBondContact CB-O 3.25Å; C58-G63 PolarHBondContact N-O 3.15Å; C61-G63 VanDerWaalsContact C-N 3.26Å; C61-G63 PolarHBondContact O-N 3.35Å; C61-G63 PolarHBondContact SG-N 3.32Å; G63-G65 PolarHBondContact O-N 2.72Å
64	P	95	Very high	93.7	Very high	108 Å²	108	53.3 Å²	53.3	70%	0.701	29%	0.287	S	S	*	.	B	Isolated β-bridge	trans	-64.1	125.2	175.2	27.4	-33.4	0	0	0	110.3	C23	C23-P64 VanDerWaalsContact CA-O 3.3Å; C23-P64 WeakPolarHBondContact CA-O 3.01Å; C23-P64 WeakPolarHBondContact CB-O 3.26Å
65	G	94.1	Very high	93.9	Very high	19 Å²	19	47.3 Å²	47.3	20%	0.196	26%	0.264	C	S	.	.			trans	-85.7	135.9	179.9	0	0	0	0	0	111.7	L22 G56 G63	L22-G65 CarbonylContact O-C 3.47Å; L22-G65 WeakPolarHBondContact O-CA 3.48Å; G56-G65 WeakPolarHBondContact O-CA 3.18Å; G56-G65 PolarHBondContact O-N 3.34Å; G63-G65 PolarHBondContact O-N 2.72Å
66	V	94.6	Very high	94	Very high	87 Å²	87	43.5 Å²	43.5	53%	0.527	25%	0.247	S	C	.	.			trans	-115.9	-52.8	-177.5	-177.3	0	0	0	0	109.9	L22 E24	L22-V66 PolarHBondContact O-N 3.2Å; E24-V66 HydrophobicContact CG-CB 4.47Å; E24-V66 HydrophobicContact CG-CG2 3.83Å
67	S	95.1	Very high	94.2	Very high	26 Å²	26	47.8 Å²	47.8	18%	0.182	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	159.2	-178.1	55.5	0	0	0	0	112.4	R21 L22 D27	R21-S67 CarbonylContact C-O 3.42Å; R21-S67 WeakPolarHBondContact CA-O 3.49Å; L22-S67 PolarHBondContact N-O 3.15Å; L22-S67 PolarHBondContact O-N 2.96Å; D27-S67 VanDerWaalsContact CG-OG 3.24Å; D27-S67 WeakPolarHBondContact OD1-CB 3.36Å; D27-S67 PolarHBondContact OD1-OG 3.48Å
68	D	95.1	Very high	94.3	Very high	54 Å²	54	47 Å²	47	29%	0.289	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	142.8	174.8	-64.3	-27.6	0	0	0	111.1	I19 R21 L42 Y70	I19-D68 HydrophobicContact CG2-CB 4.15Å; R21-D68 WeakPolarHBondContact CD-OD1 3.48Å; R21-D68 IonicContact CZ-OD1 3.67Å; R21-D68 IonicContact NE-OD1 3.82Å; R21-D68 IonicContact NH1-OD1 2.75Å; R21-D68 PolarHBondContact NH1-OD1 2.89Å; L42-D68 HydrophobicContact CD2-CB 4.04Å; D68-Y70 HydrophobicContact CB-CE2 4.2Å; D68-Y70 WeakPolarHBondContact O-CD2 3.38Å
69	A	95.3	Very high	94.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-86.5	141	-178.2	0	0	0	0	0	111.3	G20 L22 V31 V43 V59	G20-A69 VanDerWaalsContact O-CB 3.27Å; G20-A69 WeakPolarHBondContact O-CB 3.47Å; G20-A69 PolarHBondContact O-N 3.19Å; L22-A69 HydrophobicContact CD1-CB 4.03Å; L22-A69 HydrophobicContact CD2-CB 4.26Å; L22-A69 HydrophobicContact CG-CB 3.75Å; V31-A69 HydrophobicContact CG2-CB 4Å; V43-A69 HydrophobicContact CB-CB 3.84Å; V43-A69 WeakPolarHBondContact CB-O 3.35Å; V43-A69 HydrophobicContact CG1-CB 4.39Å; V43-A69 HydrophobicContact CG2-CB 3.93Å; V43-A69 WeakPolarHBondContact CG2-O 2.78Å; V43-A69 PolarHBondContact N-O 3.41Å; V59-A69 HydrophobicContact CG2-CB 4.43Å
70	Y	95.6	Very high	94.1	Very high	93 Å²	93	56.5 Å²	56.5	37%	0.365	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	150.9	-179.8	-70.9	-90.7	0	0	0	112.5	C30 P39 S41 L42 D68	C30-Y70 WeakPolarHBondContact CA-O 3.28Å; P39-Y70 HydrophobicContact CB-CD1 4.18Å; P39-Y70 HydrophobicContact CB-CG 3.88Å; S41-Y70 CarbonylContact O-C 3.55Å; S41-Y70 WeakPolarHBondContact O-CA 3.47Å; S41-Y70 WeakPolarHBondContact O-CD1 3.21Å; L42-Y70 HydrophobicContact CD2-CD1 4.02Å; L42-Y70 HydrophobicContact CD2-CE1 3.4Å; L42-Y70 VanDerWaalsContact CD2-CE1 3.4Å; L42-Y70 HydrophobicContact CD2-CE2 4.03Å; L42-Y70 HydrophobicContact CG-CD1 4.22Å; L42-Y70 HydrophobicContact CG-CE1 3.63Å; D68-Y70 HydrophobicContact CB-CE2 4.2Å; D68-Y70 WeakPolarHBondContact O-CD2 3.38Å
71	Y	95.6	Very high	94.2	Very high	11 Å²	11	57.7 Å²	57.7	4%	0.043	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	136.1	161.8	-61.8	-67	0	0	0	109.6	I32 C40 S41 V43 D81 P86	I32-Y71 HydrophobicContact CD1-CD1 3.81Å; I32-Y71 HydrophobicContact CD1-CE1 3.68Å; I32-Y71 HydrophobicContact CG1-CD1 4.05Å; I32-Y71 HydrophobicContact CG1-CE1 3.91Å; C40-Y71 PolarHBondContact N-O 2.95Å; S41-Y71 PolarHBondContact N-O 3.47Å; S41-Y71 PolarHBondContact O-N 2.8Å; V43-Y71 HydrophobicContact CB-CE2 4.1Å; V43-Y71 HydrophobicContact CG1-CE2 4.36Å; V43-Y71 HydrophobicContact CG2-CD1 4Å; V43-Y71 HydrophobicContact CG2-CD2 3.74Å; V43-Y71 HydrophobicContact CG2-CE1 3.91Å; V43-Y71 HydrophobicContact CG2-CE2 3.69Å; V43-Y71 HydrophobicContact CG2-CG 3.92Å; Y71-D81 HydrophobicContact CD1-CB 4.26Å; Y71-D81 HydrophobicContact CD2-CB 3.72Å; Y71-D81 HydrophobicContact CE1-CB 4.41Å; Y71-D81 HydrophobicContact CE2-CB 3.84Å; Y71-D81 HydrophobicContact CG-CB 3.9Å; Y71-P86 HydrophobicContact CE1-CB 4.38Å; Y71-P86 HydrophobicContact CE1-CG 4.21Å; Y71-P86 WeakPolarHBondContact OH-CD 3.44Å; Y71-P86 VanDerWaalsContact OH-CG 3.27Å; Y71-P86 WeakPolarHBondContact OH-CG 3.39Å
72	C	95.3	Very high	94.2	Very high	4 Å²	4	64.2 Å²	64.2	3%	0.027	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	156.8	172.9	71.4	0	0	0	0	111.3	C30 C33 S35 R38 E74 C75 I76	C30-C72 HydrophobicContact CB-CB 3.89Å; C30-C72 PolarHBondContact SG-N 3.28Å; C33-C72 PolarHBondContact SG-SG 2.97Å; S35-C72 WeakPolarHBondContact OG-CB 3.36Å; S35-C72 PolarHBondContact OG-SG 3.41Å; R38-C72 CarbonylContact O-C 3.54Å; R38-C72 VanDerWaalsContact O-CA 3.31Å; R38-C72 WeakPolarHBondContact O-CA 3.27Å; C72-E74 PolarHBondContact O-N 2.58Å; C72-C75 PolarHBondContact O-N 2.76Å; C72-C75 PolarHBondContact SG-SG 3.25Å; C72-I76 PolarHBondContact O-N 2.85Å
73	K	95.9	Very high	94.3	Very high	109 Å²	109	66.5 Å²	66.5	47%	0.474	34%	0.341	S	S	.	.	H	α-helix	trans	-53.8	-38.7	-178.6	-171	171.7	-177.2	174	0	113.2	R38 C40 I76 I77	R38-K73 HydrophobicContact CB-CB 4.15Å; R38-K73 PolarHBondContact O-N 3.44Å; C40-K73 HydrophobicContact CB-CB 4.02Å; K73-I76 PolarHBondContact O-N 3.32Å; K73-I77 HydrophobicContact CG-CD1 3.88Å; K73-I77 HydrophobicContact CG-CG1 4.48Å; K73-I77 VanDerWaalsContact O-CG1 3.27Å; K73-I77 WeakPolarHBondContact O-CG1 3.41Å; K73-I77 PolarHBondContact O-N 3.28Å
74	E	95.1	Very high	94.4	Very high	122 Å²	122	65.9 Å²	65.9	57%	0.57	33%	0.334	S	S	*	.	H	α-helix	trans	-67.1	-38.7	178.7	-67.9	175.8	178.6	0	0	112.8	C72 I76 I77 T78	C72-E74 PolarHBondContact O-N 2.58Å; E74-I76 VanDerWaalsContact C-N 3.27Å; E74-I76 PolarHBondContact O-N 3.48Å; E74-I77 PolarHBondContact O-N 2.77Å; E74-T78 WeakPolarHBondContact O-CB 3.07Å; E74-T78 WeakPolarHBondContact O-CG2 3.3Å; E74-T78 PolarHBondContact O-N 2.99Å; E74-T78 PolarHBondContact O-OG1 3.21Å
75	C	94.7	Very high	94.4	Very high	4 Å²	4	60.7 Å²	60.7	3%	0.027	30%	0.3	C	S	.	.	H	α-helix	trans	-65.4	-34.3	176.8	-73.7	0	0	0	0	111.5	I32 C33 C72 T78 E79 K80	I32-C75 HydrophobicContact CD1-CB 4.36Å; C33-C75 VanDerWaalsContact SG-SG 3.6Å; C72-C75 PolarHBondContact O-N 2.76Å; C72-C75 PolarHBondContact SG-SG 3.25Å; C75-T78 WeakPolarHBondContact CA-OG1 3.43Å; C75-T78 CarbonylContact O-C 3.56Å; C75-T78 PolarHBondContact O-OG1 2.81Å; C75-E79 PolarHBondContact O-N 3.08Å; C75-K80 HydrophobicContact CB-CB 4.41Å; C75-K80 PolarHBondContact O-N 2.75Å
76	I	95.2	Very high	94.4	Very high	42 Å²	42	59.8 Å²	59.8	22%	0.215	29%	0.291	C	S	.	.	H	α-helix	trans	-73.4	-42.8	176.7	-60.6	176.4	0	0	0	111.4	C40 C72 K73 E74 T78 E79 D81	C40-I76 HydrophobicContact CB-CD1 3.51Å; C72-I76 PolarHBondContact O-N 2.85Å; K73-I76 PolarHBondContact O-N 3.32Å; E74-I76 VanDerWaalsContact C-N 3.27Å; E74-I76 PolarHBondContact O-N 3.48Å; I76-T78 PolarHBondContact O-N 3.45Å; I76-E79 WeakPolarHBondContact O-CA 3.48Å; I76-E79 PolarHBondContact O-N 3.04Å; I76-D81 HydrophobicContact CG1-CB 4.26Å
77	I	95.8	Very high	94.4	Very high	122 Å²	122	56.3 Å²	56.3	63%	0.626	27%	0.269	S	S	*	.	H	α-helix	trans	-61.5	-34.3	176.8	-68.3	164.9	0	0	0	110.8	K73 E74 E79	K73-I77 HydrophobicContact CG-CD1 3.88Å; K73-I77 HydrophobicContact CG-CG1 4.48Å; K73-I77 VanDerWaalsContact O-CG1 3.27Å; K73-I77 WeakPolarHBondContact O-CG1 3.41Å; K73-I77 PolarHBondContact O-N 3.28Å; E74-I77 PolarHBondContact O-N 2.77Å; I77-E79 PolarHBondContact O-N 3.04Å
78	T	95.6	Very high	94.2	Very high	82 Å²	82	55.9 Å²	55.9	50%	0.503	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	9.4	174.7	54	0	0	0	0	113.5	E74 C75 I76 K80	E74-T78 WeakPolarHBondContact O-CB 3.07Å; E74-T78 WeakPolarHBondContact O-CG2 3.3Å; E74-T78 PolarHBondContact O-N 2.99Å; E74-T78 PolarHBondContact O-OG1 3.21Å; C75-T78 WeakPolarHBondContact CA-OG1 3.43Å; C75-T78 CarbonylContact O-C 3.56Å; C75-T78 PolarHBondContact O-OG1 2.81Å; I76-T78 PolarHBondContact O-N 3.45Å; T78-K80 PolarHBondContact O-N 3.1Å
79	E	94	Very high	94	Very high	104 Å²	104	57.6 Å²	57.6	49%	0.486	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	18.9	178.3	-54.3	-164.9	139.4	0	0	115.8	C75 I76 I77 D81 R82	C75-E79 PolarHBondContact O-N 3.08Å; I76-E79 WeakPolarHBondContact O-CA 3.48Å; I76-E79 PolarHBondContact O-N 3.04Å; I77-E79 PolarHBondContact O-N 3.04Å; E79-D81 PolarHBondContact O-N 3.34Å; E79-R82 VanDerWaalsContact CD-NH1 3.34Å; E79-R82 WeakPolarHBondContact O-CB 3.35Å; E79-R82 PolarHBondContact O-N 2.92Å; E79-R82 VanDerWaalsContact O-N 3.14Å; E79-R82 IonicContact OE1-CZ 3.38Å; E79-R82 IonicContact OE1-NH1 2.75Å; E79-R82 PolarHBondContact OE1-NH1 3.29Å; E79-R82 IonicContact OE1-NH2 3.62Å; E79-R82 IonicContact OE2-NH1 3.72Å
80	K	91.9	Very high	93.7	Very high	96 Å²	96	60 Å²	60	42%	0.417	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-70.3	-17.4	-179.8	-62.7	-175.1	179.1	-177.2	0	113.2	I32 C75 T78 R82	I32-K80 HydrophobicContact CD1-CB 3.63Å; I32-K80 WeakPolarHBondContact CD1-O 3.21Å; I32-K80 HydrophobicContact CG2-CB 4.46Å; I32-K80 HydrophobicContact CG2-CD 4.09Å; C75-K80 HydrophobicContact CB-CB 4.41Å; C75-K80 PolarHBondContact O-N 2.75Å; T78-K80 PolarHBondContact O-N 3.1Å; K80-R82 PolarHBondContact O-N 3.24Å
81	D	92.1	Very high	93.2	Very high	36 Å²	36	61.4 Å²	61.4	19%	0.193	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-68	-16.1	173.2	62.9	-48.3	0	0	0	112.9	Y71 I76 E79	Y71-D81 HydrophobicContact CD1-CB 4.26Å; Y71-D81 HydrophobicContact CD2-CB 3.72Å; Y71-D81 HydrophobicContact CE1-CB 4.41Å; Y71-D81 HydrophobicContact CE2-CB 3.84Å; Y71-D81 HydrophobicContact CG-CB 3.9Å; I76-D81 HydrophobicContact CG1-CB 4.26Å; E79-D81 PolarHBondContact O-N 3.34Å
82	R	91.4	Very high	92.7	Very high	177 Å²	177	61.3 Å²	61.3	67%	0.668	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-92.7	-6	-178.1	-58.7	-173.1	179.9	162.1	6	115	E79 K80 G84	E79-R82 VanDerWaalsContact CD-NH1 3.34Å; E79-R82 WeakPolarHBondContact O-CB 3.35Å; E79-R82 PolarHBondContact O-N 2.92Å; E79-R82 VanDerWaalsContact O-N 3.14Å; E79-R82 IonicContact OE1-CZ 3.38Å; E79-R82 IonicContact OE1-NH1 2.75Å; E79-R82 PolarHBondContact OE1-NH1 3.29Å; E79-R82 IonicContact OE1-NH2 3.62Å; E79-R82 IonicContact OE2-NH1 3.72Å; K80-R82 PolarHBondContact O-N 3.24Å; R82-G84 PolarHBondContact O-N 3.43Å; R82-G84 VanDerWaalsContact O-N 3.11Å
83	D	91.7	Very high	92.2	Very high	80 Å²	80	63.6 Å²	63.6	43%	0.428	32%	0.321	S	S	.	.	S	Bend	trans	-65.3	-13.2	-178.7	-71.8	-16.5	0	0	0	114.4	R12	R12-D83 VanDerWaalsContact CZ-CB 3.48Å; R12-D83 IonicContact CZ-OD2 2.58Å; R12-D83 IonicContact NH1-OD2 2.93Å; R12-D83 PolarHBondContact NH1-OD2 2.86Å; R12-D83 IonicContact NH2-OD2 3.2Å; R12-D83 PolarHBondContact NH2-OD2 3.38Å
84	G	93.5	Very high	91.7	Very high	7 Å²	7	60.2 Å²	60.2	7%	0.072	31%	0.313	C	S	.	.	S	Bend	trans	113.1	-163	-178.1	0	0	0	0	0	113.6	R82 P86	R82-G84 PolarHBondContact O-N 3.43Å; R82-G84 VanDerWaalsContact O-N 3.11Å; G84-P86 WeakPolarHBondContact O-CD 3.45Å
85	C	95	Very high	91.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.308	C	S	.	.			trans	-62.1	120	-173.9	-179.9	0	0	0	0	112.1	C11 R12 K13 C46 K87	C11-C85 HydrophobicContact CB-CB 4.22Å; R12-C85 PolarHBondContact N-O 2.92Å; K13-C85 VanDerWaalsContact O-CB 3.3Å; K13-C85 WeakPolarHBondContact O-CB 3.42Å; K13-C85 PolarHBondContact O-N 2.71Å; C46-C85 HydrophobicContact CB-CB 3.91Å; C46-C85 PolarHBondContact N-SG 3.45Å; C85-K87 VanDerWaalsContact C-N 3.25Å; C85-K87 PolarHBondContact O-N 3.07Å
86	P	93.9	Very high	90.8	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.321	C	S	.	.			trans	-89.2	19.1	-176.1	39.4	-40.7	0	0	0	113.1	F10 V31 V43 R44 V59 Y71 G84	F10-P86 HydrophobicContact CD1-CB 4.49Å; F10-P86 WeakPolarHBondContact CD1-O 3.39Å; V31-P86 HydrophobicContact CB-CB 4.35Å; V31-P86 HydrophobicContact CB-CG 4.49Å; V31-P86 HydrophobicContact CG1-CB 3.76Å; V31-P86 HydrophobicContact CG1-CG 4.01Å; V43-P86 HydrophobicContact CG1-CG 3.38Å; R44-P86 WeakPolarHBondContact O-CD 3.49Å; V59-P86 HydrophobicContact CG1-CG 4.19Å; V59-P86 VanDerWaalsContact CG1-O 3.28Å; V59-P86 WeakPolarHBondContact CG1-O 3.33Å; Y71-P86 HydrophobicContact CE1-CB 4.38Å; Y71-P86 HydrophobicContact CE1-CG 4.21Å; Y71-P86 WeakPolarHBondContact OH-CD 3.44Å; Y71-P86 VanDerWaalsContact OH-CG 3.27Å; Y71-P86 WeakPolarHBondContact OH-CG 3.39Å; G84-P86 WeakPolarHBondContact O-CD 3.45Å
87	K	93.6	Very high	90.4	Very high	14 Å²	14	64 Å²	64	6%	0.061	33%	0.334	C	S	.	.			trans	-70	130.2	176.5	-175.1	67.8	162	-169.7	0	110.3	F10 C11 C49 R57 C58 V59 C85	F10-K87 CarbonylContact C-O 3.51Å; C11-K87 HydrophobicContact CB-CB 4.27Å; C11-K87 WeakPolarHBondContact CB-O 3.42Å; C11-K87 PolarHBondContact N-O 3.39Å; C49-K87 HydrophobicContact CB-CB 4.1Å; C49-K87 HydrophobicContact CB-CG 3.95Å; R57-K87 PolarHBondContact O-NZ 3.34Å; C58-K87 VanDerWaalsContact C-NZ 3.33Å; C58-K87 PolarHBondContact O-NZ 2.77Å; V59-K87 HydrophobicContact CB-CD 4.32Å; V59-K87 HydrophobicContact CG1-CB 4.35Å; V59-K87 HydrophobicContact CG1-CD 4.18Å; C85-K87 VanDerWaalsContact C-N 3.25Å; C85-K87 PolarHBondContact O-N 3.07Å
88	I	92.7	Very high	90	Very high	17 Å²	17	62.2 Å²	62.2	9%	0.087	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-79.7	123.5	173.7	-56.9	-172.5	0	0	0	108.6	A2 L8 I9 F10 V59 I60 N90	A2-I88 HydrophobicContact CB-CD1 3.88Å; L8-I88 HydrophobicContact CB-CD1 4.3Å; L8-I88 HydrophobicContact CB-CG2 4.17Å; L8-I88 HydrophobicContact CD1-CD1 3.93Å; L8-I88 HydrophobicContact CD2-CG2 3.94Å; L8-I88 HydrophobicContact CG-CG2 4.49Å; I9-I88 WeakPolarHBondContact O-CA 3.23Å; F10-I88 HydrophobicContact CD1-CG1 4.17Å; F10-I88 HydrophobicContact CE1-CD1 4.46Å; F10-I88 HydrophobicContact CE1-CG1 4.11Å; V59-I88 PolarHBondContact O-N 3.28Å; V59-I88 VanDerWaalsContact O-N 3.1Å; I60-I88 HydrophobicContact CG2-CD1 4.13Å; I60-I88 WeakPolarHBondContact O-CD1 3.14Å; I88-N90 WeakPolarHBondContact CG2-O 3.39Å
89	V	91.1	Very high	89.5	Confident	90 Å²	90	64.4 Å²	64.4	55%	0.545	33%	0.328	S	S	.	.			trans	-94	-33.7	-174.7	-86.3	0	0	0	0	113.1	I9 C11	I9-V89 HydrophobicContact CB-CG2 4.18Å; I9-V89 HydrophobicContact CG2-CG2 4.03Å; I9-V89 VanDerWaalsContact O-CG2 3.23Å; I9-V89 WeakPolarHBondContact O-CG2 3.3Å; I9-V89 PolarHBondContact O-N 3.2Å; I9-V89 VanDerWaalsContact O-N 3.07Å; C11-V89 HydrophobicContact CB-CG1 4.12Å
90	N	88.8	Confident	89.2	Confident	50 Å²	50	66.5 Å²	66.5	27%	0.267	33%	0.333	S	S	.	.	S	Bend	trans	-94.1	152.9	179.3	66.7	-35.7	0	0	0	112.3	D7 I9 I88	D7-N90 PolarHBondContact O-ND2 3.2Å; I9-N90 PolarHBondContact N-OD1 2.71Å; I88-N90 WeakPolarHBondContact CG2-O 3.39Å
91	L	83.9	Confident	88.9	Confident	123 Å²	123	67.5 Å²	67.5	64%	0.644	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-83.3	119.7	163.4	-92.6	104.8	0	0	0	108.8	K95	L91-K95 HydrophobicContact CD2-CD 4.12Å
92	G	84.7	Confident	88.5	Confident	9 Å²	9	73.6 Å²	73.6	9%	0.093	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-66.2	150.1	177.5	0	0	0	0	0	113.8	D7 A94 K95 T96	D7-G92 VanDerWaalsContact OD2-CA 3.26Å; D7-G92 WeakPolarHBondContact OD2-CA 3.26Å; G92-A94 VanDerWaalsContact C-N 3.29Å; G92-A94 PolarHBondContact O-N 3.36Å; G92-K95 PolarHBondContact O-N 3.06Å; G92-T96 PolarHBondContact O-N 2.7Å
93	S	85.8	Confident	88.1	Confident	52 Å²	52	72.1 Å²	72.1	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-47	-46.8	177.5	50.4	0	0	0	0	113	D7 K95 T96 D97	D7-S93 WeakPolarHBondContact OD2-CB 3.33Å; D7-S93 PolarHBondContact OD2-N 3.05Å; D7-S93 PolarHBondContact OD2-OG 3.07Å; S93-K95 PolarHBondContact O-N 2.81Å; S93-K95 VanDerWaalsContact O-N 3.07Å; S93-T96 WeakPolarHBondContact CA-OG1 3.44Å; S93-T96 PolarHBondContact O-N 3.18Å; S93-T96 PolarHBondContact O-OG1 3.28Å; S93-D97 WeakPolarHBondContact O-CB 3.23Å; S93-D97 PolarHBondContact O-N 3.33Å
94	A	85.6	Confident	87.5	Confident	37 Å²	37	76.8 Å²	76.8	31%	0.306	37%	0.374	S	S	.	.	H	α-helix	trans	-56.3	-33.7	-179.2	0	0	0	0	0	113.5	H5 G92 L98	H5-A94 WeakPolarHBondContact CE1-CB 3.27Å; G92-A94 VanDerWaalsContact C-N 3.29Å; G92-A94 PolarHBondContact O-N 3.36Å; A94-L98 WeakPolarHBondContact O-CB 3.39Å; A94-L98 PolarHBondContact O-N 3.39Å
95	K	84.5	Confident	86.4	Confident	108 Å²	108	85.8 Å²	85.8	47%	0.47	41%	0.407	S	S	.	.	H	α-helix	trans	-82.7	-34.3	179.9	-165.7	172.9	177.7	-172.2	0	111.7	C61 L91 G92 S93 F99	C61-K95 PolarHBondContact O-NZ 3.44Å; L91-K95 HydrophobicContact CD2-CD 4.12Å; G92-K95 PolarHBondContact O-N 3.06Å; S93-K95 PolarHBondContact O-N 2.81Å; S93-K95 VanDerWaalsContact O-N 3.07Å; K95-F99 PolarHBondContact O-N 3.29Å
96	T	86.1	Confident	84.7	Confident	50 Å²	50	88.1 Å²	88.1	31%	0.307	43%	0.431	S	S	.	.	H	α-helix	trans	-69.2	-43.1	176.2	52.4	0	0	0	0	111.1	G92 S93 F99 Y100	G92-T96 PolarHBondContact O-N 2.7Å; S93-T96 WeakPolarHBondContact CA-OG1 3.44Å; S93-T96 PolarHBondContact O-N 3.18Å; S93-T96 PolarHBondContact O-OG1 3.28Å; T96-F99 WeakPolarHBondContact O-CB 3.39Å; T96-F99 PolarHBondContact O-N 2.85Å; T96-Y100 WeakPolarHBondContact O-CD2 3.47Å; T96-Y100 PolarHBondContact O-N 3.05Å; T96-Y100 VanDerWaalsContact O-N 3.14Å
97	D	87	Confident	83.1	Confident	91 Å²	91	96.1 Å²	96.1	49%	0.487	47%	0.467	S	S	.	.	H	α-helix	trans	-65.3	-45.1	-178.6	-64.1	-13.3	0	0	0	110.7	S93 F99 Y100 E101	S93-D97 WeakPolarHBondContact O-CB 3.23Å; S93-D97 PolarHBondContact O-N 3.33Å; D97-F99 PolarHBondContact O-N 2.79Å; D97-Y100 PolarHBondContact O-N 3.18Å; D97-E101 WeakPolarHBondContact O-CG 3.45Å; D97-E101 PolarHBondContact O-N 2.92Å
98	L	86.5	Confident	81.3	Confident	84 Å²	84	105.2 Å²	105.2	44%	0.44	51%	0.506	S	S	.	.	H	α-helix	trans	-60.4	-31.2	176.8	-148.4	106.6	0	0	0	112.9	A94 R102	A94-L98 WeakPolarHBondContact O-CB 3.39Å; A94-L98 PolarHBondContact O-N 3.39Å; L98-R102 WeakPolarHBondContact O-CD 3.27Å; L98-R102 VanDerWaalsContact O-CG 3.23Å; L98-R102 WeakPolarHBondContact O-CG 3.46Å; L98-R102 PolarHBondContact O-N 3.19Å
99	F	86.2	Confident	79.6	Confident	127 Å²	127	113 Å²	113	56%	0.557	54%	0.539	S	S	*	.	H	α-helix	trans	-69.5	-45.5	174.8	172.8	-95.9	0	0	0	111.2	K95 T96 D97 R102 K103	K95-F99 PolarHBondContact O-N 3.29Å; T96-F99 WeakPolarHBondContact O-CB 3.39Å; T96-F99 PolarHBondContact O-N 2.85Å; D97-F99 PolarHBondContact O-N 2.79Å; F99-R102 PolarHBondContact O-N 3.05Å; F99-K103 PolarHBondContact O-N 3.06Å; F99-K103 VanDerWaalsContact O-N 3.1Å
100	Y	86.4	Confident	77.9	Confident	148 Å²	148	123.6 Å²	123.6	58%	0.58	57%	0.569	S	S	*	*	H	α-helix	trans	-71.2	-36.3	179.9	-74.8	-67.5	0	0	0	112.9	T96 D97 R102 K103 K104	T96-Y100 WeakPolarHBondContact O-CD2 3.47Å; T96-Y100 PolarHBondContact O-N 3.05Å; T96-Y100 VanDerWaalsContact O-N 3.14Å; D97-Y100 PolarHBondContact O-N 3.18Å; Y100-R102 PolarHBondContact O-N 3.1Å; Y100-K103 PolarHBondContact O-N 3.45Å; Y100-K104 PolarHBondContact O-N 3.34Å
101	E	87	Confident	77.3	Confident	118 Å²	118	127.3 Å²	127.3	55%	0.551	59%	0.585	S	S	*	*	H	α-helix	trans	-59.2	-46.5	172.5	-74.6	-173.9	157	0	0	111.5	D97 K103 K104 Y105	D97-E101 WeakPolarHBondContact O-CG 3.45Å; D97-E101 PolarHBondContact O-N 2.92Å; E101-K103 VanDerWaalsContact C-N 3.27Å; E101-K103 PolarHBondContact O-N 3.42Å; E101-K104 PolarHBondContact O-N 3.49Å; E101-Y105 VanDerWaalsContact O-CD2 3.27Å; E101-Y105 WeakPolarHBondContact O-CD2 3.19Å; E101-Y105 PolarHBondContact O-N 3.14Å
102	R	83.9	Confident	77	Confident	163 Å²	163	127.5 Å²	127.5	62%	0.615	58%	0.581	S	S	*	*	H	α-helix	trans	-62.8	-33.5	176.2	-73.6	174.4	-177.2	-159.9	-1.1	112.8	L98 F99 Y100	L98-R102 WeakPolarHBondContact O-CD 3.27Å; L98-R102 VanDerWaalsContact O-CG 3.23Å; L98-R102 WeakPolarHBondContact O-CG 3.46Å; L98-R102 PolarHBondContact O-N 3.19Å; F99-R102 PolarHBondContact O-N 3.05Å; Y100-R102 PolarHBondContact O-N 3.1Å
103	K	82.9	Confident	76.6	Confident	147 Å²	147	134.1 Å²	134.1	64%	0.639	61%	0.609	S	S	*	*	H	α-helix	trans	-70.9	-38	176	-167.9	176.4	-178.8	-179.4	0	111.6	F99 Y100 E101 Y105 G106	F99-K103 PolarHBondContact O-N 3.06Å; F99-K103 VanDerWaalsContact O-N 3.1Å; Y100-K103 PolarHBondContact O-N 3.45Å; E101-K103 VanDerWaalsContact C-N 3.27Å; E101-K103 PolarHBondContact O-N 3.42Å; K103-Y105 VanDerWaalsContact C-N 3.33Å; K103-Y105 PolarHBondContact O-N 3.19Å; K103-G106 PolarHBondContact O-N 2.85Å
104	K	78.8	Confident	76	Confident	177 Å²	177	138.9 Å²	138.9	77%	0.77	62%	0.623	S	S	*	*	H	α-helix	trans	-62.9	-36.4	-177.3	-165.1	176.8	-178.5	-178.5	0	112.9	Y100 E101	Y100-K104 PolarHBondContact O-N 3.34Å; E101-K104 PolarHBondContact O-N 3.49Å
105	Y	69.9	Low	75.4	Confident	197 Å²	197	145.3 Å²	145.3	77%	0.773	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	4.8	-177.4	-68.5	-70.5	0	0	0	115.3	E101 K103	E101-Y105 VanDerWaalsContact O-CD2 3.27Å; E101-Y105 WeakPolarHBondContact O-CD2 3.19Å; E101-Y105 PolarHBondContact O-N 3.14Å; K103-Y105 VanDerWaalsContact C-N 3.33Å; K103-Y105 PolarHBondContact O-N 3.19Å
106	G	60.1	Low	74.8	Confident	49 Å²	49	147.8 Å²	147.8	51%	0.505	65%	0.654	S	S	.	*			trans	70.7	123.7	-179.9	0	0	0	0	0	111.7	K103 K108	K103-G106 PolarHBondContact O-N 2.85Å; G106-K108 PolarHBondContact O-N 2.81Å
107	F	59.3	Low	74	Confident	168 Å²	168	154.8 Å²	154.8	74%	0.737	68%	0.679	S	S	*	*			trans	-68.2	89.1	-179	-135	-90.3	0	0	0	109.9	K109	F107-K109 HydrophobicContact CD1-CB 4.3Å; F107-K109 HydrophobicContact CD1-CG 4.45Å; F107-K109 HydrophobicContact CE1-CG 4.44Å; F107-K109 PolarHBondContact O-N 3.37Å
108	K	56.9	Low	73	Confident	204 Å²	204	159.7 Å²	159.7	89%	0.887	69%	0.694	S	S	*	*			trans	-72.9	92.4	153.3	-94.1	-174.2	177.9	178	0	106.2	G106 R110	G106-K108 PolarHBondContact O-N 2.81Å; K108-R110 PolarHBondContact O-N 3.41Å
109	K	56.7	Low	71.9	Confident	182 Å²	182	166 Å²	166	79%	0.791	72%	0.715	S	S	*	*			trans	-57.3	111.9	164.1	-148.2	178.7	-174.2	-176.2	0	105.3	F107	F107-K109 HydrophobicContact CD1-CB 4.3Å; F107-K109 HydrophobicContact CD1-CG 4.45Å; F107-K109 HydrophobicContact CE1-CG 4.44Å; F107-K109 PolarHBondContact O-N 3.37Å
110	R	54.7	Low	70.6	Confident	312 Å²	312	169.5 Å²	169.5	100%	1.177	73%	0.73	S	S	*	*			trans	-68.1	0	171.3	-153.8	-179.8	-168	173.4	3.3	108.8	K108	K108-R110 PolarHBondContact O-N 3.41Å

Retrieved 110 of 110 residues in 356.9 ms (Link to these results)

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