A0A077ZPS9_TRITR Loading...

Kunitz BPTI domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZPS9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 181 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.9	Very low	65.2	Low	210 Å²	210	99 Å²	99	100%	1.034	47%	0.474	S	S	*	.				0	120.3	0	-78	169.8	173.3	0	0	105.5	E3	M1-E3 PolarHBondContact O-N 3.28Å
2	D	57.9	Low	64.8	Low	92 Å²	92	102.6 Å²	102.6	49%	0.492	50%	0.498	S	S	.	.			trans	-87.9	92.5	-177.8	-59.2	-25.6	0	0	0	108.7	K174	D2-K174 HydrophobicContact CB-CD 3.88Å; D2-K174 HydrophobicContact CB-CG 4.07Å; D2-K174 WeakPolarHBondContact O-CE 3.43Å; D2-K174 IonicContact OD2-NZ 3.18Å; D2-K174 PolarHBondContact OD2-NZ 3.03Å
3	E	66.1	Low	64.5	Low	99 Å²	99	114 Å²	114	46%	0.463	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	139.5	-178.2	-172.2	177.9	-175	0	0	110.5	M1 H5 K174 K175	M1-E3 PolarHBondContact O-N 3.28Å; E3-H5 PolarHBondContact O-CD2 3.44Å; E3-H5 VanDerWaalsContact O-CD2 3.23Å; E3-H5 PolarHBondContact O-N 3.16Å; E3-H5 IonicContact OE2-CE1 2.81Å; E3-H5 PolarHBondContact OE2-CE1 2.96Å; E3-H5 IonicContact OE2-NE2 3.35Å; E3-K174 WeakPolarHBondContact O-CA 3.36Å; E3-K175 PolarHBondContact O-N 3.4Å
4	C	67.7	Low	64.4	Low	17 Å²	17	108.9 Å²	108.9	12%	0.115	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	111.7	171	-72.5	0	0	0	0	109.3	C25	C4-C25 HydrophobicContact CB-CB 3.82Å; C4-C25 WeakPolarHBondContact CB-SG 3.08Å; C4-C25 WeakPolarHBondContact SG-CB 3.13Å; C4-C25 CovalentContact SG-SG 2.02Å; C4-C25 PolarHBondContact SG-SG 3.42Å
5	H	70.3	Confident	64.5	Low	47 Å²	47	109.2 Å²	109.2	22%	0.218	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	144.4	175	-65.8	-80.1	0	0	0	110.8	E3 F172 V173 K175	E3-H5 PolarHBondContact O-CD2 3.44Å; E3-H5 VanDerWaalsContact O-CD2 3.23Å; E3-H5 PolarHBondContact O-N 3.16Å; E3-H5 IonicContact OE2-CE1 2.81Å; E3-H5 PolarHBondContact OE2-CE1 2.96Å; E3-H5 IonicContact OE2-NE2 3.35Å; H5-F172 CarbonylContact O-C 3.57Å; H5-F172 WeakPolarHBondContact O-CA 3.4Å; H5-V173 PolarHBondContact N-O 2.83Å; H5-V173 PolarHBondContact O-N 3.5Å; H5-K175 WeakPolarHBondContact CD2-CD 3.11Å; H5-K175 WeakPolarHBondContact CD2-CG 3.4Å
6	F	71.3	Confident	64.6	Low	112 Å²	112	112.6 Å²	112.6	49%	0.491	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	141.1	169.5	-173.3	-92.5	0	0	0	111.1	T170 S171 F172	F6-T170 HydrophobicContact CE1-CG2 3.8Å; F6-T170 HydrophobicContact CE2-CG2 3.88Å; F6-T170 WeakPolarHBondContact CE2-OG1 3.47Å; F6-T170 HydrophobicContact CZ-CG2 3.15Å; F6-S171 CarbonylContact C-O 3.58Å; F6-S171 WeakPolarHBondContact CA-O 2.76Å; F6-F172 HydrophobicContact CD2-CE1 4.43Å; F6-F172 HydrophobicContact CD2-CE2 4.41Å; F6-F172 HydrophobicContact CD2-CZ 4.2Å
7	F	68.3	Low	64.8	Low	59 Å²	59	107.9 Å²	107.9	26%	0.259	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	151	171.9	82.6	-66.3	0	0	0	110.8	Y9 N18 S171 V173	F7-Y9 AromaticContact CE2-CD2 3.87Å; F7-Y9 HydrophobicContact CE2-CD2 3.87Å; F7-Y9 HydrophobicContact CE2-CG 4.16Å; F7-Y9 HydrophobicContact CZ-CD2 4.16Å; F7-Y9 HydrophobicContact CZ-CG 4.22Å; F7-N18 HydrophobicContact CZ-CB 4.16Å; F7-S171 WeakPolarHBondContact CD1-O 3.32Å; F7-S171 WeakPolarHBondContact CD1-OG 3.35Å; F7-S171 WeakPolarHBondContact CE1-OG 3.36Å; F7-S171 VanDerWaalsContact CZ-OG 3.23Å; F7-S171 WeakPolarHBondContact CZ-OG 3.38Å; F7-S171 PolarHBondContact N-O 2.99Å; F7-S171 PolarHBondContact O-N 3.35Å; F7-S171 VanDerWaalsContact O-N 3.15Å; F7-S171 PolarHBondContact O-OG 2.62Å; F7-V173 HydrophobicContact CD1-CB 3.6Å; F7-V173 HydrophobicContact CD1-CG2 3.2Å; F7-V173 HydrophobicContact CD2-CG2 4.15Å; F7-V173 HydrophobicContact CE1-CB 3.85Å; F7-V173 HydrophobicContact CE1-CG2 2.99Å; F7-V173 HydrophobicContact CE2-CG2 3.93Å; F7-V173 HydrophobicContact CG-CB 4.24Å; F7-V173 HydrophobicContact CG-CG2 3.8Å; F7-V173 HydrophobicContact CZ-CG2 3.36Å
8	Q	68.9	Low	65.1	Low	118 Å²	118	104.5 Å²	104.5	55%	0.551	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	116.7	174.4	-168.3	176.9	38.2	0	0	109.5
9	Y	66.1	Low	65.7	Low	74 Å²	74	100 Å²	100	29%	0.29	49%	0.486	S	S	.	.			trans	-100.1	118.1	177.7	-178.6	-117.7	0	0	0	110.5	F7 G11 G14 N18 S171	F7-Y9 AromaticContact CE2-CD2 3.87Å; F7-Y9 HydrophobicContact CE2-CD2 3.87Å; F7-Y9 HydrophobicContact CE2-CG 4.16Å; F7-Y9 HydrophobicContact CZ-CD2 4.16Å; F7-Y9 HydrophobicContact CZ-CG 4.22Å; Y9-G11 PolarHBondContact O-N 3.22Å; Y9-G14 WeakPolarHBondContact OH-CA 3.34Å; Y9-G14 PolarHBondContact OH-N 3.18Å; Y9-N18 VanDerWaalsContact CD1-ND2 3.27Å; Y9-N18 WeakPolarHBondContact CD1-ND2 3.45Å; Y9-N18 VanDerWaalsContact CG-ND2 3.26Å; Y9-S171 WeakPolarHBondContact CB-OG 3.38Å
10	R	70.9	Confident	66	Low	212 Å²	212	103.8 Å²	103.8	80%	0.8	50%	0.5	S	S	*	.			trans	-92.8	18	-173.3	-63.6	-173.1	177.4	-163	-1.9	114.9
11	G	61	Low	66.3	Low	49 Å²	49	101.5 Å²	101.5	51%	0.505	49%	0.493	S	S	.	.	S	Bend	trans	90.9	-8.9	169	0	0	0	0	0	117.8	Y9	Y9-G11 PolarHBondContact O-N 3.22Å
12	D	60.4	Low	67.4	Low	142 Å²	142	96.3 Å²	96.3	76%	0.759	46%	0.464	S	S	*	.	S	Bend	trans	-126.2	133.6	-177.4	-76.9	-35.8	0	0	0	114
13	R	61.1	Low	67.8	Low	251 Å²	251	99.2 Å²	99.2	95%	0.947	48%	0.475	S	S	*	.	S	Bend	trans	61.2	36.5	173.7	-48.7	-175.2	-151.5	166.3	6.8	116.7
14	G	62.3	Low	68	Low	42 Å²	42	98.7 Å²	98.7	43%	0.433	47%	0.472	S	S	.	.			trans	-67	163.3	170.7	0	0	0	0	0	113.7	Y9	Y9-G14 WeakPolarHBondContact OH-CA 3.34Å; Y9-G14 PolarHBondContact OH-N 3.18Å
15	N	65.9	Low	68.2	Low	114 Å²	114	97.9 Å²	97.9	61%	0.61	47%	0.467	S	S	*	.			trans	-110.3	175.7	169.2	61	25.6	0	0	0	110.1	N17	N15-N17 PolarHBondContact O-N 3.07Å; N15-N17 WeakPolarHBondContact OD1-CB 3.41Å; N15-N17 PolarHBondContact OD1-N 2.74Å; N15-N17 VanDerWaalsContact OD1-N 3.12Å
16	E	66.6	Low	68.1	Low	164 Å²	164	100.5 Å²	100.5	77%	0.766	48%	0.479	S	S	*	.	S	Bend	trans	-66.5	-3	179.9	-63.7	-174.7	-168.3	0	0	114.4	N18 R28	E16-N18 PolarHBondContact O-N 2.92Å; E16-R28 IonicContact OE2-NH1 2.65Å
17	N	67.2	Low	67.9	Low	33 Å²	33	98.5 Å²	98.5	18%	0.176	48%	0.483	C	S	.	.			trans	-92.6	48.1	176.5	-173.1	19	0	0	0	110.7	N15 F19 V173 K174	N15-N17 PolarHBondContact O-N 3.07Å; N15-N17 WeakPolarHBondContact OD1-CB 3.41Å; N15-N17 PolarHBondContact OD1-N 2.74Å; N15-N17 VanDerWaalsContact OD1-N 3.12Å; N17-F19 WeakPolarHBondContact OD1-CE2 3.38Å; N17-V173 WeakPolarHBondContact O-CG2 3.14Å; N17-K174 PolarHBondContact ND2-O 3.07Å; N17-K174 VanDerWaalsContact OD1-CB 3.31Å; N17-K174 WeakPolarHBondContact OD1-CB 3.28Å; N17-K174 PolarHBondContact OD1-N 3.37Å
18	N	70.5	Confident	67.5	Low	46 Å²	46	103.1 Å²	103.1	25%	0.246	50%	0.499	C	S	.	.			trans	-135.6	115.8	-179.8	179.9	-8.9	0	0	0	109.1	F7 Y9 E16 S171	F7-N18 HydrophobicContact CZ-CB 4.16Å; Y9-N18 VanDerWaalsContact CD1-ND2 3.27Å; Y9-N18 WeakPolarHBondContact CD1-ND2 3.45Å; Y9-N18 VanDerWaalsContact CG-ND2 3.26Å; E16-N18 PolarHBondContact O-N 2.92Å; N18-S171 WeakPolarHBondContact OD1-CB 3.35Å
19	F	76.1	Confident	66.6	Low	19 Å²	19	99.9 Å²	99.9	8%	0.083	49%	0.489	C	S	.	.	B	Isolated β-bridge	trans	-125.5	142.5	-171.7	-50.6	-77.1	0	0	0	111.8	N17 Q24 C25 R28 F172	N17-F19 WeakPolarHBondContact OD1-CE2 3.38Å; F19-Q24 HydrophobicContact CB-CB 3.94Å; F19-Q24 HydrophobicContact CD1-CB 4.37Å; F19-C25 HydrophobicContact CB-CB 3.79Å; F19-C25 HydrophobicContact CD2-CB 3.34Å; F19-C25 VanDerWaalsContact CD2-SG 3.53Å; F19-C25 HydrophobicContact CE2-CB 4.08Å; F19-C25 HydrophobicContact CG-CB 3.71Å; F19-R28 HydrophobicContact CD1-CB 4.03Å; F19-R28 HydrophobicContact CD1-CG 4.46Å; F19-R28 HydrophobicContact CE1-CB 3.21Å; F19-R28 HydrophobicContact CE1-CG 3.63Å; F19-R28 HydrophobicContact CZ-CB 3.55Å; F19-R28 HydrophobicContact CZ-CG 4.3Å; F19-F172 HydrophobicContact CB-CB 4.43Å; F19-F172 WeakPolarHBondContact CD2-O 3.48Å; F19-F172 PolarHBondContact N-O 2.91Å; F19-F172 PolarHBondContact O-N 3.21Å
20	K	73.5	Confident	65.6	Low	175 Å²	175	102.8 Å²	102.8	76%	0.761	51%	0.508	S	S	*	.	S	Bend	trans	-74.9	-27.8	-179	-59.1	-175.6	174.1	-174.1	0	112.8	Q24	K20-Q24 VanDerWaalsContact CB-OE1 3.28Å
21	T	70.9	Confident	64.1	Low	57 Å²	57	100.2 Å²	100.2	35%	0.35	51%	0.509	S	S	.	.	S	Bend	trans	-129.7	153	179.3	67.7	0	0	0	0	110.6	Q23 Q24 C25	T21-Q23 PolarHBondContact O-N 3.2Å; T21-Q24 WeakPolarHBondContact O-CB 3.33Å; T21-Q24 PolarHBondContact O-N 3.07Å; T21-Q24 WeakPolarHBondContact OG1-CB 3.29Å; T21-Q24 VanDerWaalsContact OG1-CG 3.22Å; T21-Q24 WeakPolarHBondContact OG1-CG 3.39Å; T21-Q24 PolarHBondContact OG1-N 3.48Å; T21-C25 PolarHBondContact O-N 2.82Å
22	K	71.9	Confident	62.9	Low	100 Å²	100	102.7 Å²	102.7	44%	0.435	51%	0.514	S	S	.	.	H	α-helix	trans	-54	-43	170	-176.8	172	169.9	175.9	0	110.8	Q24 C25 E26 F172	K22-Q24 VanDerWaalsContact C-N 3.34Å; K22-Q24 PolarHBondContact O-N 2.91Å; K22-C25 WeakPolarHBondContact O-CB 3.4Å; K22-C25 PolarHBondContact O-N 2.77Å; K22-C25 VanDerWaalsContact O-N 3.1Å; K22-E26 WeakPolarHBondContact CE-OE1 3.41Å; K22-E26 HydrophobicContact CG-CG 4.3Å; K22-E26 WeakPolarHBondContact CG-OE1 3.14Å; K22-E26 IonicContact NZ-OE1 3.75Å; K22-E26 WeakPolarHBondContact O-CB 3.43Å; K22-E26 VanDerWaalsContact O-CG 3.31Å; K22-E26 WeakPolarHBondContact O-CG 3.26Å; K22-E26 PolarHBondContact O-N 3.41Å; K22-F172 HydrophobicContact CB-CD1 4.07Å; K22-F172 HydrophobicContact CB-CE1 3.72Å; K22-F172 HydrophobicContact CB-CE2 4.24Å; K22-F172 HydrophobicContact CB-CG 4.47Å; K22-F172 HydrophobicContact CB-CZ 3.82Å; K22-F172 HydrophobicContact CD-CE1 4.47Å; K22-F172 HydrophobicContact CG-CD1 4.49Å; K22-F172 HydrophobicContact CG-CE1 4.25Å
23	Q	67.9	Low	61.7	Low	153 Å²	153	100 Å²	100	72%	0.715	50%	0.504	S	S	*	.	H	α-helix	trans	-58.8	-40.2	175.2	-169.8	-176.9	14.9	0	0	112.7	T21 A27	T21-Q23 PolarHBondContact O-N 3.2Å; Q23-A27 WeakPolarHBondContact O-CB 3.5Å; Q23-A27 PolarHBondContact O-N 3.12Å
24	Q	69.4	Low	60.5	Low	88 Å²	88	92 Å²	92	41%	0.411	48%	0.481	S	S	.	.	H	α-helix	trans	-67	-41	174.4	-77.7	170.4	4.8	0	0	111.6	F19 K20 T21 K22 A27 R28	F19-Q24 HydrophobicContact CB-CB 3.94Å; F19-Q24 HydrophobicContact CD1-CB 4.37Å; K20-Q24 VanDerWaalsContact CB-OE1 3.28Å; T21-Q24 WeakPolarHBondContact O-CB 3.33Å; T21-Q24 PolarHBondContact O-N 3.07Å; T21-Q24 WeakPolarHBondContact OG1-CB 3.29Å; T21-Q24 VanDerWaalsContact OG1-CG 3.22Å; T21-Q24 WeakPolarHBondContact OG1-CG 3.39Å; T21-Q24 PolarHBondContact OG1-N 3.48Å; K22-Q24 VanDerWaalsContact C-N 3.34Å; K22-Q24 PolarHBondContact O-N 2.91Å; Q24-A27 PolarHBondContact O-N 3.44Å; Q24-R28 WeakPolarHBondContact O-CB 3.43Å; Q24-R28 PolarHBondContact O-N 3.26Å
25	C	71.6	Confident	59.6	Low	0 Å²	0	95 Å²	95	0%	0	49%	0.492	C	S	.	.	H	α-helix	trans	-63.2	-43.6	176.6	-178.1	0	0	0	0	112.5	C4 F19 T21 K22 R28 F172	C4-C25 HydrophobicContact CB-CB 3.82Å; C4-C25 WeakPolarHBondContact CB-SG 3.08Å; C4-C25 WeakPolarHBondContact SG-CB 3.13Å; C4-C25 CovalentContact SG-SG 2.02Å; C4-C25 PolarHBondContact SG-SG 3.42Å; F19-C25 HydrophobicContact CB-CB 3.79Å; F19-C25 HydrophobicContact CD2-CB 3.34Å; F19-C25 VanDerWaalsContact CD2-SG 3.53Å; F19-C25 HydrophobicContact CE2-CB 4.08Å; F19-C25 HydrophobicContact CG-CB 3.71Å; T21-C25 PolarHBondContact O-N 2.82Å; K22-C25 WeakPolarHBondContact O-CB 3.4Å; K22-C25 PolarHBondContact O-N 2.77Å; K22-C25 VanDerWaalsContact O-N 3.1Å; C25-R28 PolarHBondContact O-N 2.56Å; C25-F172 HydrophobicContact CB-CB 3.89Å
26	E	68.5	Low	58.6	Low	102 Å²	102	94.4 Å²	94.4	48%	0.477	48%	0.482	S	S	.	.	H	α-helix	trans	-68.9	-40	176.8	-69.7	170.7	161.9	0	0	111.3	K22 R28	K22-E26 WeakPolarHBondContact CE-OE1 3.41Å; K22-E26 HydrophobicContact CG-CG 4.3Å; K22-E26 WeakPolarHBondContact CG-OE1 3.14Å; K22-E26 IonicContact NZ-OE1 3.75Å; K22-E26 WeakPolarHBondContact O-CB 3.43Å; K22-E26 VanDerWaalsContact O-CG 3.31Å; K22-E26 WeakPolarHBondContact O-CG 3.26Å; K22-E26 PolarHBondContact O-N 3.41Å; E26-R28 VanDerWaalsContact C-N 3.31Å; E26-R28 PolarHBondContact O-N 2.93Å
27	A	66.1	Low	57.6	Low	70 Å²	70	90 Å²	90	58%	0.579	47%	0.469	S	S	*	.	H	α-helix	trans	-66.6	-30.5	176.4	0	0	0	0	0	112.7	Q23 Q24 C29	Q23-A27 WeakPolarHBondContact O-CB 3.5Å; Q23-A27 PolarHBondContact O-N 3.12Å; Q24-A27 PolarHBondContact O-N 3.44Å; A27-C29 PolarHBondContact O-N 3.27Å
28	R	60.9	Low	56.6	Low	157 Å²	157	95.2 Å²	95.2	59%	0.592	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	21.7	-176.9	-115.6	-78.5	169.4	124.5	-5.8	114.9	E16 F19 Q24 C25 E26	E16-R28 IonicContact OE2-NH1 2.65Å; F19-R28 HydrophobicContact CD1-CB 4.03Å; F19-R28 HydrophobicContact CD1-CG 4.46Å; F19-R28 HydrophobicContact CE1-CB 3.21Å; F19-R28 HydrophobicContact CE1-CG 3.63Å; F19-R28 HydrophobicContact CZ-CB 3.55Å; F19-R28 HydrophobicContact CZ-CG 4.3Å; Q24-R28 WeakPolarHBondContact O-CB 3.43Å; Q24-R28 PolarHBondContact O-N 3.26Å; C25-R28 PolarHBondContact O-N 2.56Å; E26-R28 VanDerWaalsContact C-N 3.31Å; E26-R28 PolarHBondContact O-N 2.93Å
29	C	49.4	Very low	55.7	Low	50 Å²	50	96.7 Å²	96.7	34%	0.338	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.9	50	-179.9	-116.1	0	0	0	0	112.8	A27 I31 K174	A27-C29 PolarHBondContact O-N 3.27Å; C29-I31 VanDerWaalsContact C-N 3.27Å; C29-I31 PolarHBondContact O-N 3.31Å; C29-K174 HydrophobicContact CB-CD 3.58Å; C29-K174 WeakPolarHBondContact SG-CD 3.46Å; C29-K174 PolarHBondContact SG-NZ 2.84Å; C29-K174 VanDerWaalsContact SG-NZ 3.36Å
30	I	44.8	Very low	54.2	Low	135 Å²	135	101.9 Å²	101.9	69%	0.692	54%	0.537	S	S	*	.			trans	-88.5	74.1	153.7	-47.2	177.5	0	0	0	107.3
31	I	40.7	Very low	53.2	Low	157 Å²	157	98.1 Å²	98.1	81%	0.805	52%	0.524	S	S	*	.			trans	-115.1	59.6	137.1	-43.3	177.7	0	0	0	105.4	C29	C29-I31 VanDerWaalsContact C-N 3.27Å; C29-I31 PolarHBondContact O-N 3.31Å
32	T	34.7	Very low	52.1	Low	101 Å²	101	99.2 Å²	99.2	62%	0.62	53%	0.528	S	S	*	.	S	Bend		-77.5	125.4	128.3	50	0	0	0	0	102.8	N34	T32-N34 VanDerWaalsContact C-N 3.29Å; T32-N34 PolarHBondContact O-N 3.17Å
33	P	35	Very low	51.4	Low	86 Å²	86	100.6 Å²	100.6	56%	0.558	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-52.8	119.1	151.3	24.1	-23.8	0	0	0	102.3	P35	P33-P35 VanDerWaalsContact C-N 3.26Å; P33-P35 WeakPolarHBondContact O-CD 3.34Å
34	N	37	Very low	50.8	Low	83 Å²	83	99 Å²	99	44%	0.444	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-47.5	119.2	141.9	166.1	7.1	0	0	0	101.7	T32 W36 S37	T32-N34 VanDerWaalsContact C-N 3.29Å; T32-N34 PolarHBondContact O-N 3.17Å; N34-W36 PolarHBondContact O-N 2.88Å; N34-W36 WeakPolarHBondContact OD1-CB 3.22Å; N34-W36 PolarHBondContact OD1-N 3.45Å; N34-S37 WeakPolarHBondContact CB-OG 3.4Å; N34-S37 WeakPolarHBondContact ND2-CA 3.31Å; N34-S37 VanDerWaalsContact ND2-CB 3.32Å; N34-S37 WeakPolarHBondContact ND2-CB 3.33Å; N34-S37 PolarHBondContact ND2-N 2.88Å; N34-S37 PolarHBondContact O-N 3.26Å
35	P	42.9	Very low	50.1	Low	105 Å²	105	101.9 Å²	101.9	68%	0.682	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	1.3	-174	-12.9	25.2	0	0	0	111.4	P33	P33-P35 VanDerWaalsContact C-N 3.26Å; P33-P35 WeakPolarHBondContact O-CD 3.34Å
36	W	45.1	Very low	49.4	Very low	102 Å²	102	108.4 Å²	108.4	39%	0.386	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-138.1	3.9	-173	-56.6	71.2	0	0	0	115.1	N34 D38 L39 P55	N34-W36 PolarHBondContact O-N 2.88Å; N34-W36 WeakPolarHBondContact OD1-CB 3.22Å; N34-W36 PolarHBondContact OD1-N 3.45Å; W36-D38 VanDerWaalsContact C-N 3.29Å; W36-D38 PolarHBondContact O-N 2.62Å; W36-L39 HydrophobicContact CB-CD1 4.16Å; W36-L39 HydrophobicContact CD2-CD1 3.76Å; W36-L39 HydrophobicContact CE3-CD1 3.25Å; W36-L39 HydrophobicContact CG-CD1 4.21Å; W36-L39 HydrophobicContact CZ3-CD1 3.81Å; W36-L39 PolarHBondContact O-N 3.17Å; W36-P55 HydrophobicContact CH2-CB 3.92Å; W36-P55 HydrophobicContact CH2-CG 3.6Å; W36-P55 HydrophobicContact CZ2-CB 3.8Å; W36-P55 HydrophobicContact CZ2-CG 3.93Å; W36-P55 HydrophobicContact CZ3-CG 3.94Å
37	S	45.9	Very low	48.7	Very low	71 Å²	71	107.9 Å²	107.9	50%	0.497	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.5	-15.5	177.8	58.4	0	0	0	0	113.4	N34	N34-S37 WeakPolarHBondContact CB-OG 3.4Å; N34-S37 WeakPolarHBondContact ND2-CA 3.31Å; N34-S37 VanDerWaalsContact ND2-CB 3.32Å; N34-S37 WeakPolarHBondContact ND2-CB 3.33Å; N34-S37 PolarHBondContact ND2-N 2.88Å; N34-S37 PolarHBondContact O-N 3.26Å
38	D	46.5	Very low	48.3	Very low	142 Å²	142	108.9 Å²	108.9	76%	0.759	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	12.9	174.5	-66.1	-21.7	0	0	0	112.5	W36 V40	W36-D38 VanDerWaalsContact C-N 3.29Å; W36-D38 PolarHBondContact O-N 2.62Å; D38-V40 PolarHBondContact O-N 2.84Å
39	L	50.9	Low	48.3	Very low	77 Å²	77	110.9 Å²	110.9	40%	0.403	62%	0.617	S	S	.	*			trans	-80.7	56.1	165.9	-75.2	168.9	0	0	0	110.5	W36 I41	W36-L39 HydrophobicContact CB-CD1 4.16Å; W36-L39 HydrophobicContact CD2-CD1 3.76Å; W36-L39 HydrophobicContact CE3-CD1 3.25Å; W36-L39 HydrophobicContact CG-CD1 4.21Å; W36-L39 HydrophobicContact CZ3-CD1 3.81Å; W36-L39 PolarHBondContact O-N 3.17Å; L39-I41 HydrophobicContact CD2-CG1 4.19Å; L39-I41 PolarHBondContact O-N 3.31Å
40	V	44.8	Very low	48.4	Very low	129 Å²	129	113 Å²	113	78%	0.782	63%	0.628	S	S	*	*			trans	-79.2	86.8	150	-164.7	0	0	0	0	104.4	D38 D42	D38-V40 PolarHBondContact O-N 2.84Å; V40-D42 PolarHBondContact O-N 2.84Å
41	I	52.2	Low	48.6	Very low	95 Å²	95	116.5 Å²	116.5	49%	0.487	64%	0.638	S	S	.	*			trans	-64	111.3	171.9	-61.7	173.3	0	0	0	105.3	L39 P43 T47	L39-I41 HydrophobicContact CD2-CG1 4.19Å; L39-I41 PolarHBondContact O-N 3.31Å; I41-P43 WeakPolarHBondContact O-CD 3.5Å; I41-P43 VanDerWaalsContact O-N 3.15Å; I41-T47 HydrophobicContact CG2-CG2 4.4Å
42	D	47.9	Very low	49.3	Very low	80 Å²	80	114.8 Å²	114.8	43%	0.428	63%	0.625	S	S	.	*			trans	-50.5	118.6	167.1	-173.6	-30.4	0	0	0	107.4	V40 T44 E45	V40-D42 PolarHBondContact O-N 2.84Å; D42-T44 VanDerWaalsContact CG-OG1 3.25Å; D42-T44 PolarHBondContact O-N 2.94Å; D42-T44 WeakPolarHBondContact OD1-CB 3.03Å; D42-T44 PolarHBondContact OD1-N 3.44Å; D42-T44 PolarHBondContact OD1-OG1 3.05Å; D42-T44 PolarHBondContact OD2-OG1 3.02Å; D42-E45 HydrophobicContact CB-CG 4.46Å; D42-E45 PolarHBondContact O-N 3.3Å
43	P	57.3	Low	50	Low	130 Å²	130	117 Å²	117	84%	0.844	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-5.6	-179.9	-20.6	31	0	0	0	114	I41	I41-P43 WeakPolarHBondContact O-CD 3.5Å; I41-P43 VanDerWaalsContact O-N 3.15Å
44	T	56.1	Low	50.7	Low	118 Å²	118	116.5 Å²	116.5	72%	0.724	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	-2.7	-175	69.8	0	0	0	0	114.9	D42	D42-T44 VanDerWaalsContact CG-OG1 3.25Å; D42-T44 PolarHBondContact O-N 2.94Å; D42-T44 WeakPolarHBondContact OD1-CB 3.03Å; D42-T44 PolarHBondContact OD1-N 3.44Å; D42-T44 PolarHBondContact OD1-OG1 3.05Å; D42-T44 PolarHBondContact OD2-OG1 3.02Å
45	E	54.5	Low	51.8	Low	150 Å²	150	114.3 Å²	114.3	70%	0.701	62%	0.621	S	S	*	*	S	Bend	trans	-90.3	123.3	174.1	-73.5	-156.2	150.6	0	0	112.5	D42 T47	D42-E45 HydrophobicContact CB-CG 4.46Å; D42-E45 PolarHBondContact O-N 3.3Å; E45-T47 PolarHBondContact O-N 3.28Å
46	D	55.9	Low	53	Low	137 Å²	137	113.2 Å²	113.2	73%	0.733	61%	0.607	S	S	*	*			trans	-60	93.6	177.8	-177.8	3.7	0	0	0	111.4	S48	D46-S48 VanDerWaalsContact CG-OG 3.31Å; D46-S48 PolarHBondContact O-N 2.85Å; D46-S48 WeakPolarHBondContact OD1-CB 3.23Å; D46-S48 PolarHBondContact OD1-N 2.8Å; D46-S48 PolarHBondContact OD1-OG 2.99Å; D46-S48 PolarHBondContact OD2-OG 2.71Å
47	T	55.1	Low	54.8	Low	90 Å²	90	114.5 Å²	114.5	55%	0.552	61%	0.612	S	S	*	*			trans	-80.4	15.3	179.5	51.7	0	0	0	0	113.8	I41 E45 F49	I41-T47 HydrophobicContact CG2-CG2 4.4Å; E45-T47 PolarHBondContact O-N 3.28Å; T47-F49 PolarHBondContact O-N 3.46Å
48	S	57.2	Low	56.7	Low	92 Å²	92	113.6 Å²	113.6	64%	0.643	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-5	-175.1	62.5	0	0	0	0	115.7	D46	D46-S48 VanDerWaalsContact CG-OG 3.31Å; D46-S48 PolarHBondContact O-N 2.85Å; D46-S48 WeakPolarHBondContact OD1-CB 3.23Å; D46-S48 PolarHBondContact OD1-N 2.8Å; D46-S48 PolarHBondContact OD1-OG 2.99Å; D46-S48 PolarHBondContact OD2-OG 2.71Å
49	F	59.7	Low	58.5	Low	198 Å²	198	108.1 Å²	108.1	87%	0.868	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.6	-0.4	-176.2	-132.8	-96.3	0	0	0	117	T47	T47-F49 PolarHBondContact O-N 3.46Å
50	V	52.2	Low	60	Low	96 Å²	96	108.4 Å²	108.4	58%	0.582	56%	0.563	S	S	*	*			trans	-112.7	100.7	176.9	-164	0	0	0	0	109.8	K52	V50-K52 HydrophobicContact CB-CG 4.08Å; V50-K52 HydrophobicContact CG1-CB 4.38Å; V50-K52 HydrophobicContact CG1-CG 3.43Å; V50-K52 VanDerWaalsContact CG1-CG 3.43Å; V50-K52 PolarHBondContact O-N 2.98Å
51	K	49.2	Very low	61.8	Low	207 Å²	207	104 Å²	104	90%	0.9	53%	0.532	S	S	*	.			trans	-63.7	76	156	-79.6	-177.4	177.3	177.8	0	107.9	Q53	K51-Q53 VanDerWaalsContact C-N 3.33Å; K51-Q53 PolarHBondContact O-N 2.77Å
52	K	54.5	Low	63.1	Low	122 Å²	122	101.2 Å²	101.2	53%	0.53	52%	0.52	S	S	.	.			trans	-64.8	98	170	-75.1	-174.2	179	173.2	0	105.7	V50 A54	V50-K52 HydrophobicContact CB-CG 4.08Å; V50-K52 HydrophobicContact CG1-CB 4.38Å; V50-K52 HydrophobicContact CG1-CG 3.43Å; V50-K52 VanDerWaalsContact CG1-CG 3.43Å; V50-K52 PolarHBondContact O-N 2.98Å; K52-A54 PolarHBondContact O-N 2.84Å; K52-A54 VanDerWaalsContact O-N 3.07Å
53	Q	50.2	Low	64.3	Low	147 Å²	147	104.5 Å²	104.5	69%	0.687	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-53.2	118.9	167.2	-82.4	175	-9	0	0	106.7	K51	K51-Q53 VanDerWaalsContact C-N 3.33Å; K51-Q53 PolarHBondContact O-N 2.77Å
54	A	49.3	Very low	64.6	Low	75 Å²	75	103.7 Å²	103.7	62%	0.62	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-53.6	139.5	176.8	0	0	0	0	0	108.5	K52 H56	K52-A54 PolarHBondContact O-N 2.84Å; K52-A54 VanDerWaalsContact O-N 3.07Å; A54-H56 PolarHBondContact O-N 2.91Å
55	P	59.7	Low	65.2	Low	37 Å²	37	101 Å²	101	24%	0.24	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-60	127.4	-176.5	24.8	-30.5	0	0	0	109.2	W36 R57 H72 Y73	W36-P55 HydrophobicContact CH2-CB 3.92Å; W36-P55 HydrophobicContact CH2-CG 3.6Å; W36-P55 HydrophobicContact CZ2-CB 3.8Å; W36-P55 HydrophobicContact CZ2-CG 3.93Å; W36-P55 HydrophobicContact CZ3-CG 3.94Å; P55-R57 PolarHBondContact O-N 3.28Å; P55-H72 HydrophobicContact CB-CB 3.94Å; P55-H72 HydrophobicContact CG-CB 4.32Å; P55-Y73 CarbonylContact C-O 3.56Å; P55-Y73 WeakPolarHBondContact CA-O 3.14Å
56	H	69	Low	66.2	Low	82 Å²	82	94.2 Å²	94.2	38%	0.38	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	126.6	179.7	-67.1	-87.4	0	0	0	108.6	A54 R58 Y73	A54-H56 PolarHBondContact O-N 2.91Å; H56-R58 PolarHBondContact O-N 2.79Å; H56-Y73 PolarHBondContact N-O 2.83Å; H56-Y73 WeakPolarHBondContact O-CB 3.4Å; H56-Y73 PolarHBondContact O-N 3.38Å
57	R	83.2	Confident	67.3	Low	130 Å²	130	92.6 Å²	92.6	49%	0.491	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	126.8	168.7	-174.9	177.3	175.1	-174.9	-0.1	108.1	P55 Y59 F70	P55-R57 PolarHBondContact O-N 3.28Å; R57-Y59 VanDerWaalsContact CZ-OH 3.29Å; R57-Y59 PolarHBondContact NE-OH 2.95Å; R57-Y59 PolarHBondContact NH2-OH 2.76Å; R57-F70 HydrophobicContact CG-CB 4.12Å; R57-F70 HydrophobicContact CG-CD2 4.08Å; R57-F70 HydrophobicContact CG-CG 4.4Å
58	R	84.3	Confident	68.6	Low	52 Å²	52	89.1 Å²	89.1	20%	0.196	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	162.4	177.9	-65.9	-63.2	178.2	124.6	-10	109.7	H56 F70 F71 Y73 R82 F83 E84	H56-R58 PolarHBondContact O-N 2.79Å; R58-F70 CarbonylContact O-C 3.49Å; R58-F70 WeakPolarHBondContact O-CA 3.33Å; R58-F70 WeakPolarHBondContact O-CB 3.07Å; R58-F71 HydrophobicContact CB-CD1 3.89Å; R58-F71 HydrophobicContact CB-CE1 3.42Å; R58-F71 VanDerWaalsContact CB-CE1 3.42Å; R58-F71 HydrophobicContact CB-CE2 4.49Å; R58-F71 HydrophobicContact CB-CZ 3.77Å; R58-F71 PolarHBondContact N-O 3.41Å; R58-F71 WeakPolarHBondContact O-CD1 3.5Å; R58-F71 PolarHBondContact O-N 3.36Å; R58-Y73 HydrophobicContact CG-CD1 4.22Å; R58-Y73 HydrophobicContact CG-CG 4.12Å; R58-R82 HydrophobicContact CB-CG 3.88Å; R58-R82 HydrophobicContact CG-CG 3.91Å; R58-F83 CarbonylContact C-O 3.55Å; R58-F83 WeakPolarHBondContact CA-O 3.26Å; R58-F83 WeakPolarHBondContact CD-O 3.47Å; R58-E84 IonicContact CZ-OE2 2.8Å; R58-E84 IonicContact NE-OE2 3.16Å; R58-E84 PolarHBondContact NE-OE2 2.79Å; R58-E84 VanDerWaalsContact NE-OE2 3.17Å; R58-E84 IonicContact NH1-OE2 3.2Å; R58-E84 PolarHBondContact NH1-OE2 3.23Å; R58-E84 IonicContact NH2-OE2 2.77Å; R58-E84 PolarHBondContact NH2-OE2 3.47Å
59	Y	85.2	Confident	69.8	Low	26 Å²	26	88.1 Å²	88.1	10%	0.102	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	150.9	177.5	-67	-100.4	0	0	0	111	R57 H69 F70 R82 F83 Q86	R57-Y59 VanDerWaalsContact CZ-OH 3.29Å; R57-Y59 PolarHBondContact NE-OH 2.95Å; R57-Y59 PolarHBondContact NH2-OH 2.76Å; Y59-H69 CarbonylContact C-O 3.52Å; Y59-H69 WeakPolarHBondContact CA-O 3.2Å; Y59-F70 HydrophobicContact CD1-CB 4Å; Y59-F70 HydrophobicContact CE1-CB 3.88Å; Y59-F70 HydrophobicContact CG-CB 4.47Å; Y59-R82 CarbonylContact O-C 3.44Å; Y59-R82 VanDerWaalsContact O-CA 3.29Å; Y59-R82 WeakPolarHBondContact O-CA 3.15Å; Y59-F83 PolarHBondContact N-O 2.03Å; Y59-F83 WeakPolarHBondContact O-CD2 3.27Å; Y59-F83 PolarHBondContact O-N 2.79Å; Y59-Q86 HydrophobicContact CD1-CB 3.78Å; Y59-Q86 HydrophobicContact CD1-CG 4.08Å; Y59-Q86 VanDerWaalsContact CD2-N 3.32Å; Y59-Q86 HydrophobicContact CE1-CB 3.42Å; Y59-Q86 VanDerWaalsContact CE1-CB 3.42Å; Y59-Q86 HydrophobicContact CE1-CG 3.87Å; Y59-Q86 HydrophobicContact CE2-CB 4.31Å; Y59-Q86 HydrophobicContact CG-CB 4.33Å
60	Y	83.4	Confident	70.9	Confident	84 Å²	84	83.8 Å²	83.8	33%	0.329	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	146.5	174.6	73.3	-72.1	0	0	0	109.2	V62 C68 H69 F71 N81	Y60-V62 HydrophobicContact CD2-CG2 4.03Å; Y60-V62 HydrophobicContact CE2-CG2 3.44Å; Y60-V62 VanDerWaalsContact CE2-CG2 3.44Å; Y60-C68 CarbonylContact O-C 3.5Å; Y60-C68 WeakPolarHBondContact O-CA 3.26Å; Y60-H69 HydrophobicContact CD1-CB 4.19Å; Y60-H69 VanDerWaalsContact CD1-O 3.26Å; Y60-H69 WeakPolarHBondContact CD1-O 3.26Å; Y60-H69 HydrophobicContact CE1-CB 3.54Å; Y60-H69 PolarHBondContact N-O 3.45Å; Y60-H69 PolarHBondContact O-N 3.4Å; Y60-F71 HydrophobicContact CD1-CB 4.29Å; Y60-F71 AromaticContact CD1-CD1 3.62Å; Y60-F71 HydrophobicContact CD1-CD1 3.62Å; Y60-F71 HydrophobicContact CD1-CE1 4.3Å; Y60-F71 HydrophobicContact CD1-CG 4.27Å; Y60-F71 HydrophobicContact CE1-CB 4.23Å; Y60-F71 HydrophobicContact CE1-CD1 4.39Å; Y60-F71 HydrophobicContact CG-CD1 4.32Å; Y60-N81 WeakPolarHBondContact CA-OD1 3.41Å; Y60-N81 VanDerWaalsContact CB-O 3.26Å; Y60-N81 WeakPolarHBondContact CB-O 3.48Å
61	Y	80.9	Confident	72.2	Confident	36 Å²	36	82.1 Å²	82.1	14%	0.141	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	129.2	179.1	169.8	-116.8	0	0	0	110.6	Q63 D66 E67 N81 C93 L94	Y61-Q63 HydrophobicContact CD1-CB 4.42Å; Y61-Q63 HydrophobicContact CE1-CB 3.76Å; Y61-Q63 HydrophobicContact CE1-CG 4.06Å; Y61-D66 PolarHBondContact OH-OD1 3.03Å; Y61-E67 CarbonylContact C-O 3.48Å; Y61-E67 WeakPolarHBondContact CA-O 3Å; Y61-N81 PolarHBondContact N-OD1 2.72Å; Y61-N81 PolarHBondContact O-ND2 3.36Å; Y61-C93 VanDerWaalsContact CB-SG 3.54Å; Y61-C93 HydrophobicContact CD1-CB 3.66Å; Y61-C93 HydrophobicContact CD2-CB 3.62Å; Y61-C93 HydrophobicContact CE1-CB 4.14Å; Y61-C93 HydrophobicContact CE2-CB 4.14Å; Y61-C93 HydrophobicContact CG-CB 3.35Å; Y61-L94 HydrophobicContact CD2-CD2 3.83Å; Y61-L94 HydrophobicContact CE2-CD2 3.31Å; Y61-L94 HydrophobicContact CE2-CG 4.4Å
62	V	80.6	Confident	73.7	Confident	37 Å²	37	77.9 Å²	77.9	22%	0.224	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	106.4	172.3	-175	0	0	0	0	107.6	Y60 D64 V65 D66 E67	Y60-V62 HydrophobicContact CD2-CG2 4.03Å; Y60-V62 HydrophobicContact CE2-CG2 3.44Å; Y60-V62 VanDerWaalsContact CE2-CG2 3.44Å; V62-D64 VanDerWaalsContact C-N 3.28Å; V62-D64 PolarHBondContact O-N 2.83Å; V62-V65 HydrophobicContact CB-CG2 3.7Å; V62-V65 HydrophobicContact CG1-CG2 3.61Å; V62-V65 PolarHBondContact O-N 2.96Å; V62-D66 PolarHBondContact O-N 3.28Å; V62-E67 PolarHBondContact N-O 3.05Å; V62-E67 PolarHBondContact O-N 3.12Å
63	Q	72.5	Confident	74.5	Confident	149 Å²	149	73.6 Å²	73.6	70%	0.696	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-32.5	-173.4	-173.9	176.1	-15.7	0	0	113.6	Y61 V65	Y61-Q63 HydrophobicContact CD1-CB 4.42Å; Y61-Q63 HydrophobicContact CE1-CB 3.76Å; Y61-Q63 HydrophobicContact CE1-CG 4.06Å; Q63-V65 VanDerWaalsContact C-N 3.34Å; Q63-V65 PolarHBondContact O-N 3.04Å
64	D	64.5	Low	75.6	Confident	112 Å²	112	69 Å²	69	60%	0.599	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-26.3	-175	-62.3	-35.3	0	0	0	113.8	V62	V62-D64 VanDerWaalsContact C-N 3.28Å; V62-D64 PolarHBondContact O-N 2.83Å
65	V	68.9	Low	76.5	Confident	63 Å²	63	67.2 Å²	67.2	38%	0.382	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	0.9	179.1	-65.7	0	0	0	0	112.5	V62 Q63 E67	V62-V65 HydrophobicContact CB-CG2 3.7Å; V62-V65 HydrophobicContact CG1-CG2 3.61Å; V62-V65 PolarHBondContact O-N 2.96Å; Q63-V65 VanDerWaalsContact C-N 3.34Å; Q63-V65 PolarHBondContact O-N 3.04Å; V65-E67 HydrophobicContact CB-CG 4.5Å; V65-E67 HydrophobicContact CG2-CB 3.83Å; V65-E67 HydrophobicContact CG2-CG 4.23Å; V65-E67 PolarHBondContact O-N 3.35Å
66	D	74.7	Confident	76.9	Confident	7 Å²	7	69.5 Å²	69.5	4%	0.037	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	41	-175.2	-76.1	-43.8	0	0	0	113.4	Y61 V62 L94 K97 I154	Y61-D66 PolarHBondContact OH-OD1 3.03Å; V62-D66 PolarHBondContact O-N 3.28Å; D66-L94 HydrophobicContact CB-CD2 4.16Å; D66-L94 WeakPolarHBondContact O-CD2 3.2Å; D66-K97 VanDerWaalsContact OD1-CE 3.3Å; D66-K97 WeakPolarHBondContact OD1-CE 3.29Å; D66-K97 IonicContact OD1-NZ 3.54Å; D66-K97 WeakPolarHBondContact OD2-CD 3.27Å; D66-K97 VanDerWaalsContact OD2-CE 3.22Å; D66-K97 WeakPolarHBondContact OD2-CE 3.45Å; D66-K97 IonicContact OD2-NZ 3.65Å; D66-K97 PolarHBondContact OD2-NZ 3.35Å; D66-I154 WeakPolarHBondContact OD2-CD1 3.35Å
67	E	79.1	Confident	76.7	Confident	103 Å²	103	74.4 Å²	74.4	48%	0.481	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	151.5	-175.9	-74.5	-179.4	-155.9	0	0	113.3	Y61 V62 V65 H69	Y61-E67 CarbonylContact C-O 3.48Å; Y61-E67 WeakPolarHBondContact CA-O 3Å; V62-E67 PolarHBondContact N-O 3.05Å; V62-E67 PolarHBondContact O-N 3.12Å; V65-E67 HydrophobicContact CB-CG 4.5Å; V65-E67 HydrophobicContact CG2-CB 3.83Å; V65-E67 HydrophobicContact CG2-CG 4.23Å; V65-E67 PolarHBondContact O-N 3.35Å; E67-H69 IonicContact OE2-CE1 3.17Å; E67-H69 PolarHBondContact OE2-CE1 2.88Å; E67-H69 IonicContact OE2-NE2 3.26Å; E67-H69 PolarHBondContact OE2-NE2 3.19Å
68	C	81.6	Confident	76	Confident	16 Å²	16	71.4 Å²	71.4	11%	0.108	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	106.6	173	-77.6	0	0	0	0	110.5	Y60 Q86 C89 E90	Y60-C68 CarbonylContact O-C 3.5Å; Y60-C68 WeakPolarHBondContact O-CA 3.26Å; C68-Q86 HydrophobicContact CB-CG 4.47Å; C68-C89 HydrophobicContact CB-CB 3.73Å; C68-C89 WeakPolarHBondContact CB-SG 3.44Å; C68-C89 WeakPolarHBondContact SG-CB 3.32Å; C68-C89 CovalentContact SG-SG 2.03Å; C68-C89 PolarHBondContact SG-SG 3.47Å; C68-E90 HydrophobicContact CB-CG 4.03Å; C68-E90 PolarHBondContact SG-N 3.29Å; C68-E90 VanDerWaalsContact SG-N 3.39Å
69	H	83.9	Confident	75.7	Confident	71 Å²	71	74.3 Å²	74.3	33%	0.329	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	157.3	177.4	-67.2	-101.7	0	0	0	110.9	Y59 Y60 E67	Y59-H69 CarbonylContact C-O 3.52Å; Y59-H69 WeakPolarHBondContact CA-O 3.2Å; Y60-H69 HydrophobicContact CD1-CB 4.19Å; Y60-H69 VanDerWaalsContact CD1-O 3.26Å; Y60-H69 WeakPolarHBondContact CD1-O 3.26Å; Y60-H69 HydrophobicContact CE1-CB 3.54Å; Y60-H69 PolarHBondContact N-O 3.45Å; Y60-H69 PolarHBondContact O-N 3.4Å; E67-H69 IonicContact OE2-CE1 3.17Å; E67-H69 PolarHBondContact OE2-CE1 2.88Å; E67-H69 IonicContact OE2-NE2 3.26Å; E67-H69 PolarHBondContact OE2-NE2 3.19Å
70	F	82.9	Confident	75.5	Confident	107 Å²	107	81.2 Å²	81.2	47%	0.469	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	154.8	172.2	79.6	-88.1	0	0	0	111.9	R57 R58 Y59	R57-F70 HydrophobicContact CG-CB 4.12Å; R57-F70 HydrophobicContact CG-CD2 4.08Å; R57-F70 HydrophobicContact CG-CG 4.4Å; R58-F70 CarbonylContact O-C 3.49Å; R58-F70 WeakPolarHBondContact O-CA 3.33Å; R58-F70 WeakPolarHBondContact O-CB 3.07Å; Y59-F70 HydrophobicContact CD1-CB 4Å; Y59-F70 HydrophobicContact CE1-CB 3.88Å; Y59-F70 HydrophobicContact CG-CB 4.47Å
71	F	79.6	Confident	75.5	Confident	62 Å²	62	79.5 Å²	79.5	27%	0.272	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	160.8	170.4	74.8	-73.4	0	0	0	110.5	R58 Y60 Y73 R82	R58-F71 HydrophobicContact CB-CD1 3.89Å; R58-F71 HydrophobicContact CB-CE1 3.42Å; R58-F71 VanDerWaalsContact CB-CE1 3.42Å; R58-F71 HydrophobicContact CB-CE2 4.49Å; R58-F71 HydrophobicContact CB-CZ 3.77Å; R58-F71 PolarHBondContact N-O 3.41Å; R58-F71 WeakPolarHBondContact O-CD1 3.5Å; R58-F71 PolarHBondContact O-N 3.36Å; Y60-F71 HydrophobicContact CD1-CB 4.29Å; Y60-F71 AromaticContact CD1-CD1 3.62Å; Y60-F71 HydrophobicContact CD1-CD1 3.62Å; Y60-F71 HydrophobicContact CD1-CE1 4.3Å; Y60-F71 HydrophobicContact CD1-CG 4.27Å; Y60-F71 HydrophobicContact CE1-CB 4.23Å; Y60-F71 HydrophobicContact CE1-CD1 4.39Å; Y60-F71 HydrophobicContact CG-CD1 4.32Å; F71-Y73 AromaticContact CE2-CD2 3.98Å; F71-Y73 HydrophobicContact CE2-CD2 3.98Å; F71-Y73 HydrophobicContact CE2-CG 4.32Å; F71-Y73 HydrophobicContact CZ-CD2 4.43Å; F71-R82 HydrophobicContact CE1-CG 4.11Å; F71-R82 HydrophobicContact CZ-CB 4.28Å; F71-R82 HydrophobicContact CZ-CG 3.75Å
72	H	79.9	Confident	75.6	Confident	117 Å²	117	81 Å²	81	54%	0.542	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	115.4	175.4	-72.7	105.9	0	0	0	109.8	P55	P55-H72 HydrophobicContact CB-CB 3.94Å; P55-H72 HydrophobicContact CG-CB 4.32Å
73	Y	72.1	Confident	75.9	Confident	32 Å²	32	79.4 Å²	79.4	13%	0.125	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	119.2	-177.7	179.1	-118	0	0	0	111.4	P55 H56 R58 F71 G75 S76 K77	P55-Y73 CarbonylContact C-O 3.56Å; P55-Y73 WeakPolarHBondContact CA-O 3.14Å; H56-Y73 PolarHBondContact N-O 2.83Å; H56-Y73 WeakPolarHBondContact O-CB 3.4Å; H56-Y73 PolarHBondContact O-N 3.38Å; R58-Y73 HydrophobicContact CG-CD1 4.22Å; R58-Y73 HydrophobicContact CG-CG 4.12Å; F71-Y73 AromaticContact CE2-CD2 3.98Å; F71-Y73 HydrophobicContact CE2-CD2 3.98Å; F71-Y73 HydrophobicContact CE2-CG 4.32Å; F71-Y73 HydrophobicContact CZ-CD2 4.43Å; Y73-G75 PolarHBondContact O-N 3.16Å; Y73-S76 WeakPolarHBondContact OH-CA 3.49Å; Y73-S76 PolarHBondContact OH-N 3.39Å; Y73-K77 WeakPolarHBondContact CE2-O 3.39Å; Y73-K77 VanDerWaalsContact CZ-O 3.24Å; Y73-K77 PolarHBondContact OH-N 3.24Å; Y73-K77 PolarHBondContact OH-O 2.86Å
74	G	73.2	Confident	76.6	Confident	52 Å²	52	76.8 Å²	76.8	54%	0.536	42%	0.415	S	S	.	.			trans	-73.5	12	-177.8	0	0	0	0	0	116.1	S76	G74-S76 PolarHBondContact O-N 2.89Å
75	G	67.7	Low	77.7	Confident	36 Å²	36	74.2 Å²	74.2	37%	0.371	40%	0.404	S	S	.	.	S	Bend	trans	87.1	-1.8	169.7	0	0	0	0	0	116.9	Y73	Y73-G75 PolarHBondContact O-N 3.16Å
76	S	67.9	Low	78.6	Confident	86 Å²	86	74.6 Å²	74.6	60%	0.601	40%	0.401	S	S	*	.	S	Bend	trans	-146.6	149.6	176.2	60.6	0	0	0	0	113.2	Y73 G74	Y73-S76 WeakPolarHBondContact OH-CA 3.49Å; Y73-S76 PolarHBondContact OH-N 3.39Å; G74-S76 PolarHBondContact O-N 2.89Å
77	K	65.7	Low	79.2	Confident	185 Å²	185	80.2 Å²	80.2	80%	0.804	43%	0.427	S	S	*	.			trans	66.1	-179.6	-177.7	-54.7	179.9	179.9	176.8	0	114.8	Y73	Y73-K77 WeakPolarHBondContact CE2-O 3.39Å; Y73-K77 VanDerWaalsContact CZ-O 3.24Å; Y73-K77 PolarHBondContact OH-N 3.24Å; Y73-K77 PolarHBondContact OH-O 2.86Å
78	G	68.3	Low	79.6	Confident	67 Å²	67	79.6 Å²	79.6	69%	0.691	42%	0.424	S	S	*	.			trans	120.6	179.1	176.3	0	0	0	0	0	114.3
79	N	77	Confident	79.9	Confident	113 Å²	113	78.8 Å²	78.8	60%	0.604	42%	0.419	S	S	*	.			trans	-105.9	-177	178.6	62.9	22.3	0	0	0	111.5	N81 R82	N79-N81 VanDerWaalsContact C-N 3.26Å; N79-N81 PolarHBondContact O-N 3.5Å; N79-N81 WeakPolarHBondContact OD1-CB 3.46Å; N79-N81 PolarHBondContact OD1-N 3.05Å; N79-N81 VanDerWaalsContact OD1-N 3.12Å; N79-R82 PolarHBondContact O-NH1 2.89Å
80	E	81.8	Confident	80	Confident	170 Å²	170	77.5 Å²	77.5	79%	0.794	41%	0.413	S	S	*	.	S	Bend	trans	-74.3	-10.7	179.7	-62.2	-174	166	0	0	114.1	R82	E80-R82 PolarHBondContact O-N 2.77Å
81	N	84.2	Confident	80.1	Confident	49 Å²	49	75.4 Å²	75.4	26%	0.262	42%	0.415	S	S	.	.			trans	-81.4	59.7	175.7	-167.2	8.4	0	0	0	110.3	Y60 Y61 N79 F83	Y60-N81 WeakPolarHBondContact CA-OD1 3.41Å; Y60-N81 VanDerWaalsContact CB-O 3.26Å; Y60-N81 WeakPolarHBondContact CB-O 3.48Å; Y61-N81 PolarHBondContact N-OD1 2.72Å; Y61-N81 PolarHBondContact O-ND2 3.36Å; N79-N81 VanDerWaalsContact C-N 3.26Å; N79-N81 PolarHBondContact O-N 3.5Å; N79-N81 WeakPolarHBondContact OD1-CB 3.46Å; N79-N81 PolarHBondContact OD1-N 3.05Å; N79-N81 VanDerWaalsContact OD1-N 3.12Å; N81-F83 WeakPolarHBondContact OD1-CE2 3Å
82	R	83.1	Confident	80.3	Confident	66 Å²	66	78.8 Å²	78.8	25%	0.249	43%	0.43	C	S	.	.			trans	-148.9	114.7	-177.8	-177.3	171.3	68.1	-93.6	0.5	109.6	R58 Y59 F71 N79 E80	R58-R82 HydrophobicContact CB-CG 3.88Å; R58-R82 HydrophobicContact CG-CG 3.91Å; Y59-R82 CarbonylContact O-C 3.44Å; Y59-R82 VanDerWaalsContact O-CA 3.29Å; Y59-R82 WeakPolarHBondContact O-CA 3.15Å; F71-R82 HydrophobicContact CE1-CG 4.11Å; F71-R82 HydrophobicContact CZ-CB 4.28Å; F71-R82 HydrophobicContact CZ-CG 3.75Å; N79-R82 PolarHBondContact O-NH1 2.89Å; E80-R82 PolarHBondContact O-N 2.77Å
83	F	85.1	Confident	80.6	Confident	4 Å²	4	75 Å²	75	2%	0.018	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-119.7	149.3	-175.1	-53.5	-72.8	0	0	0	110.5	R58 Y59 N81 E88 C89 K92	R58-F83 CarbonylContact C-O 3.55Å; R58-F83 WeakPolarHBondContact CA-O 3.26Å; R58-F83 WeakPolarHBondContact CD-O 3.47Å; Y59-F83 PolarHBondContact N-O 2.03Å; Y59-F83 WeakPolarHBondContact O-CD2 3.27Å; Y59-F83 PolarHBondContact O-N 2.79Å; N81-F83 WeakPolarHBondContact OD1-CE2 3Å; F83-E88 HydrophobicContact CB-CB 4.19Å; F83-E88 HydrophobicContact CB-CG 4.27Å; F83-E88 HydrophobicContact CD1-CG 3.86Å; F83-E88 HydrophobicContact CG-CG 4.47Å; F83-C89 HydrophobicContact CB-CB 3.84Å; F83-C89 VanDerWaalsContact CD2-CA 3.42Å; F83-C89 HydrophobicContact CD2-CB 3.25Å; F83-C89 WeakPolarHBondContact CD2-SG 3.28Å; F83-C89 HydrophobicContact CE2-CB 3.93Å; F83-C89 VanDerWaalsContact CG-CA 3.45Å; F83-C89 HydrophobicContact CG-CB 3.6Å; F83-K92 HydrophobicContact CD1-CD 4.48Å; F83-K92 HydrophobicContact CE1-CB 4.09Å; F83-K92 HydrophobicContact CE1-CD 3.38Å; F83-K92 HydrophobicContact CE1-CG 4.35Å; F83-K92 HydrophobicContact CZ-CB 4.36Å; F83-K92 HydrophobicContact CZ-CD 3.85Å
84	E	87	Confident	80.9	Confident	95 Å²	95	74 Å²	74	44%	0.444	41%	0.413	S	S	.	.	S	Bend	trans	-73.5	-37.6	177.9	-166.9	67.2	-149.2	0	0	110.7	R58 E88	R58-E84 IonicContact CZ-OE2 2.8Å; R58-E84 IonicContact NE-OE2 3.16Å; R58-E84 PolarHBondContact NE-OE2 2.79Å; R58-E84 VanDerWaalsContact NE-OE2 3.17Å; R58-E84 IonicContact NH1-OE2 3.2Å; R58-E84 PolarHBondContact NH1-OE2 3.23Å; R58-E84 IonicContact NH2-OE2 2.77Å; R58-E84 PolarHBondContact NH2-OE2 3.47Å; E84-E88 PolarHBondContact N-OE2 3.05Å
85	T	88	Confident	80.9	Confident	58 Å²	58	77.9 Å²	77.9	36%	0.356	42%	0.415	S	S	.	.	S	Bend	trans	-125.1	158.2	-177.9	70.7	0	0	0	0	111.9	Q87 E88 C89	T85-Q87 VanDerWaalsContact C-N 3.25Å; T85-Q87 PolarHBondContact O-N 2.91Å; T85-E88 PolarHBondContact O-N 3.06Å; T85-E88 WeakPolarHBondContact OG1-CB 3.44Å; T85-E88 PolarHBondContact OG1-N 2.55Å; T85-C89 PolarHBondContact O-N 3.42Å
86	Q	87.9	Confident	81.1	Confident	71 Å²	71	82.1 Å²	82.1	33%	0.332	43%	0.429	S	S	.	.	H	α-helix	trans	-58.4	-43.8	172	-170.8	171	-23.8	0	0	110.4	Y59 C68 E88 C89 E90	Y59-Q86 HydrophobicContact CD1-CB 3.78Å; Y59-Q86 HydrophobicContact CD1-CG 4.08Å; Y59-Q86 VanDerWaalsContact CD2-N 3.32Å; Y59-Q86 HydrophobicContact CE1-CB 3.42Å; Y59-Q86 VanDerWaalsContact CE1-CB 3.42Å; Y59-Q86 HydrophobicContact CE1-CG 3.87Å; Y59-Q86 HydrophobicContact CE2-CB 4.31Å; Y59-Q86 HydrophobicContact CG-CB 4.33Å; C68-Q86 HydrophobicContact CB-CG 4.47Å; Q86-E88 VanDerWaalsContact C-N 3.31Å; Q86-E88 PolarHBondContact O-N 3.32Å; Q86-C89 WeakPolarHBondContact O-CB 3.39Å; Q86-C89 PolarHBondContact O-N 3.31Å; Q86-C89 VanDerWaalsContact O-N 3.16Å; Q86-E90 HydrophobicContact CG-CG 4.22Å; Q86-E90 VanDerWaalsContact CG-OE1 3.29Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.22Å; Q86-E90 PolarHBondContact NE2-OE1 2.85Å; Q86-E90 WeakPolarHBondContact O-CB 3.3Å; Q86-E90 VanDerWaalsContact O-CG 3.26Å; Q86-E90 WeakPolarHBondContact O-CG 3.38Å; Q86-E90 PolarHBondContact O-N 3.43Å
87	Q	87.8	Confident	81.1	Confident	125 Å²	125	81.6 Å²	81.6	58%	0.584	42%	0.416	S	S	*	.	H	α-helix	trans	-63.4	-36.1	-178.3	-63.4	79	11.6	0	0	112.1	T85 A91	T85-Q87 VanDerWaalsContact C-N 3.25Å; T85-Q87 PolarHBondContact O-N 2.91Å; Q87-A91 WeakPolarHBondContact O-CB 3.31Å; Q87-A91 PolarHBondContact O-N 3.44Å
88	E	88.2	Confident	81.2	Confident	89 Å²	89	77 Å²	77	42%	0.416	40%	0.399	S	S	.	.	H	α-helix	trans	-66.3	-44.2	175.3	-174.4	-166.3	174.9	0	0	111.3	F83 E84 T85 Q86 K92	F83-E88 HydrophobicContact CB-CB 4.19Å; F83-E88 HydrophobicContact CB-CG 4.27Å; F83-E88 HydrophobicContact CD1-CG 3.86Å; F83-E88 HydrophobicContact CG-CG 4.47Å; E84-E88 PolarHBondContact N-OE2 3.05Å; T85-E88 PolarHBondContact O-N 3.06Å; T85-E88 WeakPolarHBondContact OG1-CB 3.44Å; T85-E88 PolarHBondContact OG1-N 2.55Å; Q86-E88 VanDerWaalsContact C-N 3.31Å; Q86-E88 PolarHBondContact O-N 3.32Å; E88-K92 WeakPolarHBondContact O-CB 2.99Å; E88-K92 PolarHBondContact O-N 2.95Å
89	C	87.2	Confident	81.4	Confident	0 Å²	0	80.5 Å²	80.5	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-58.3	-51.7	174.8	-180	0	0	0	0	111.1	C68 F83 T85 Q86 K92 C93	C68-C89 HydrophobicContact CB-CB 3.73Å; C68-C89 WeakPolarHBondContact CB-SG 3.44Å; C68-C89 WeakPolarHBondContact SG-CB 3.32Å; C68-C89 CovalentContact SG-SG 2.03Å; C68-C89 PolarHBondContact SG-SG 3.47Å; F83-C89 HydrophobicContact CB-CB 3.84Å; F83-C89 VanDerWaalsContact CD2-CA 3.42Å; F83-C89 HydrophobicContact CD2-CB 3.25Å; F83-C89 WeakPolarHBondContact CD2-SG 3.28Å; F83-C89 HydrophobicContact CE2-CB 3.93Å; F83-C89 VanDerWaalsContact CG-CA 3.45Å; F83-C89 HydrophobicContact CG-CB 3.6Å; T85-C89 PolarHBondContact O-N 3.42Å; Q86-C89 WeakPolarHBondContact O-CB 3.39Å; Q86-C89 PolarHBondContact O-N 3.31Å; Q86-C89 VanDerWaalsContact O-N 3.16Å; C89-K92 PolarHBondContact O-N 2.02Å; C89-C93 VanDerWaalsContact O-CB 3.28Å; C89-C93 WeakPolarHBondContact O-CB 2.98Å; C89-C93 PolarHBondContact O-N 2.83Å
90	E	85.5	Confident	81.8	Confident	43 Å²	43	76.5 Å²	76.5	20%	0.201	38%	0.376	C	S	.	.	H	α-helix	trans	-63.8	-45.1	-178.9	-69.5	175.6	171.2	0	0	111.6	C68 Q86 K92 L94 K95 M98	C68-E90 HydrophobicContact CB-CG 4.03Å; C68-E90 PolarHBondContact SG-N 3.29Å; C68-E90 VanDerWaalsContact SG-N 3.39Å; Q86-E90 HydrophobicContact CG-CG 4.22Å; Q86-E90 VanDerWaalsContact CG-OE1 3.29Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.22Å; Q86-E90 PolarHBondContact NE2-OE1 2.85Å; Q86-E90 WeakPolarHBondContact O-CB 3.3Å; Q86-E90 VanDerWaalsContact O-CG 3.26Å; Q86-E90 WeakPolarHBondContact O-CG 3.38Å; Q86-E90 PolarHBondContact O-N 3.43Å; E90-K92 VanDerWaalsContact C-N 3.26Å; E90-K92 PolarHBondContact O-N 2.74Å; E90-L94 HydrophobicContact CB-CD1 4.16Å; E90-L94 HydrophobicContact CG-CD1 3.83Å; E90-L94 CarbonylContact O-C 3.58Å; E90-L94 VanDerWaalsContact O-CA 3.27Å; E90-L94 WeakPolarHBondContact O-CA 3.43Å; E90-L94 VanDerWaalsContact O-CB 3.26Å; E90-L94 WeakPolarHBondContact O-CB 3.43Å; E90-L94 PolarHBondContact O-N 2.8Å; E90-K95 PolarHBondContact O-N 3Å; E90-M98 HydrophobicContact CB-CE 3.64Å; E90-M98 HydrophobicContact CG-CE 4.13Å
91	A	84.4	Confident	82.3	Confident	63 Å²	63	70 Å²	70	52%	0.521	35%	0.348	S	S	.	.	H	α-helix	trans	-65.1	-29	178.9	0	0	0	0	0	113	Q87 K95	Q87-A91 WeakPolarHBondContact O-CB 3.31Å; Q87-A91 PolarHBondContact O-N 3.44Å; A91-K95 WeakPolarHBondContact O-CB 3.35Å
92	K	84.4	Confident	82.6	Confident	134 Å²	134	68.1 Å²	68.1	58%	0.583	34%	0.339	S	S	*	.	H	α-helix	trans	-87.8	-40.1	178.9	-161.5	-175.8	-175	-179	0	112.6	F83 E88 C89 E90	F83-K92 HydrophobicContact CD1-CD 4.48Å; F83-K92 HydrophobicContact CE1-CB 4.09Å; F83-K92 HydrophobicContact CE1-CD 3.38Å; F83-K92 HydrophobicContact CE1-CG 4.35Å; F83-K92 HydrophobicContact CZ-CB 4.36Å; F83-K92 HydrophobicContact CZ-CD 3.85Å; E88-K92 WeakPolarHBondContact O-CB 2.99Å; E88-K92 PolarHBondContact O-N 2.95Å; C89-K92 PolarHBondContact O-N 2.02Å; E90-K92 VanDerWaalsContact C-N 3.26Å; E90-K92 PolarHBondContact O-N 2.74Å
93	C	85.9	Confident	82.8	Confident	38 Å²	38	67.4 Å²	67.4	26%	0.257	34%	0.338	S	S	.	.	H	α-helix	trans	-103.3	-30.3	-170.1	-64.1	0	0	0	0	113.6	Y61 C89	Y61-C93 VanDerWaalsContact CB-SG 3.54Å; Y61-C93 HydrophobicContact CD1-CB 3.66Å; Y61-C93 HydrophobicContact CD2-CB 3.62Å; Y61-C93 HydrophobicContact CE1-CB 4.14Å; Y61-C93 HydrophobicContact CE2-CB 4.14Å; Y61-C93 HydrophobicContact CG-CB 3.35Å; C89-C93 VanDerWaalsContact O-CB 3.28Å; C89-C93 WeakPolarHBondContact O-CB 2.98Å; C89-C93 PolarHBondContact O-N 2.83Å
94	L	79.6	Confident	83.1	Confident	9 Å²	9	68.9 Å²	68.9	5%	0.047	35%	0.345	C	S	.	.	S	Bend	trans	-102.8	1.3	-177.9	-54.7	-176.6	0	0	0	113.6	Y61 D66 E90 D96 K97 M98	Y61-L94 HydrophobicContact CD2-CD2 3.83Å; Y61-L94 HydrophobicContact CE2-CD2 3.31Å; Y61-L94 HydrophobicContact CE2-CG 4.4Å; D66-L94 HydrophobicContact CB-CD2 4.16Å; D66-L94 WeakPolarHBondContact O-CD2 3.2Å; E90-L94 HydrophobicContact CB-CD1 4.16Å; E90-L94 HydrophobicContact CG-CD1 3.83Å; E90-L94 CarbonylContact O-C 3.58Å; E90-L94 VanDerWaalsContact O-CA 3.27Å; E90-L94 WeakPolarHBondContact O-CA 3.43Å; E90-L94 VanDerWaalsContact O-CB 3.26Å; E90-L94 WeakPolarHBondContact O-CB 3.43Å; E90-L94 PolarHBondContact O-N 2.8Å; L94-D96 PolarHBondContact O-N 3.46Å; L94-K97 HydrophobicContact CB-CB 4.35Å; L94-K97 HydrophobicContact CD2-CB 4.35Å; L94-K97 CarbonylContact O-C 3.41Å; L94-K97 WeakPolarHBondContact O-CA 3.36Å; L94-K97 WeakPolarHBondContact O-CB 3.48Å; L94-K97 PolarHBondContact O-N 2.91Å; L94-M98 HydrophobicContact CB-CE 4.31Å; L94-M98 HydrophobicContact CB-CG 3.97Å; L94-M98 HydrophobicContact CD1-CE 4.32Å; L94-M98 WeakPolarHBondContact O-CB 3.1Å; L94-M98 WeakPolarHBondContact O-CG 2.97Å; L94-M98 PolarHBondContact O-N 3.15Å
95	K	72.7	Confident	83.3	Confident	135 Å²	135	69 Å²	69	59%	0.587	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-42.4	-172.7	-168.8	175.7	179.8	180	0	114.5	E90 A91	E90-K95 PolarHBondContact O-N 3Å; A91-K95 WeakPolarHBondContact O-CB 3.35Å
96	D	71.1	Confident	83.7	Confident	124 Å²	124	70.2 Å²	70.2	66%	0.663	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-27.5	178.8	-63.3	-38.9	0	0	0	112	L94 K99 S100	L94-D96 PolarHBondContact O-N 3.46Å; D96-K99 PolarHBondContact O-N 3.5Å; D96-S100 PolarHBondContact O-N 3.25Å
97	K	69.3	Low	84.1	Confident	75 Å²	75	69.9 Å²	69.9	33%	0.326	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-36.3	174.8	-63.3	-70.6	-171.9	149.8	0	112.5	D66 L94 K99 S100 H103	D66-K97 VanDerWaalsContact OD1-CE 3.3Å; D66-K97 WeakPolarHBondContact OD1-CE 3.29Å; D66-K97 IonicContact OD1-NZ 3.54Å; D66-K97 WeakPolarHBondContact OD2-CD 3.27Å; D66-K97 VanDerWaalsContact OD2-CE 3.22Å; D66-K97 WeakPolarHBondContact OD2-CE 3.45Å; D66-K97 IonicContact OD2-NZ 3.65Å; D66-K97 PolarHBondContact OD2-NZ 3.35Å; L94-K97 HydrophobicContact CB-CB 4.35Å; L94-K97 HydrophobicContact CD2-CB 4.35Å; L94-K97 CarbonylContact O-C 3.41Å; L94-K97 WeakPolarHBondContact O-CA 3.36Å; L94-K97 WeakPolarHBondContact O-CB 3.48Å; L94-K97 PolarHBondContact O-N 2.91Å; K97-K99 PolarHBondContact O-N 2.79Å; K97-S100 WeakPolarHBondContact O-CA 3.12Å; K97-S100 WeakPolarHBondContact O-CB 3.41Å; K97-S100 PolarHBondContact O-N 3.33Å; K97-S100 PolarHBondContact O-OG 3.31Å; K97-H103 PolarHBondContact O-CD2 3.05Å
98	M	66.1	Low	84.6	Confident	89 Å²	89	67.6 Å²	67.6	44%	0.438	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.8	173.1	-74.4	-172.7	164.3	0	0	112.7	E90 L94	E90-M98 HydrophobicContact CB-CE 3.64Å; E90-M98 HydrophobicContact CG-CE 4.13Å; L94-M98 HydrophobicContact CB-CE 4.31Å; L94-M98 HydrophobicContact CB-CG 3.97Å; L94-M98 HydrophobicContact CD1-CE 4.32Å; L94-M98 WeakPolarHBondContact O-CB 3.1Å; L94-M98 WeakPolarHBondContact O-CG 2.97Å; L94-M98 PolarHBondContact O-N 3.15Å
99	K	73.3	Confident	85	Confident	141 Å²	141	64 Å²	64	61%	0.613	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-13.5	170.9	-64.1	176.9	-178.6	171.6	0	112.8	D96 K97	D96-K99 PolarHBondContact O-N 3.5Å; K97-K99 PolarHBondContact O-N 2.79Å
100	S	85.6	Confident	85.4	Confident	29 Å²	29	73.1 Å²	73.1	20%	0.203	37%	0.371	C	S	.	.	S	Bend	trans	-62.2	144.2	175.4	78.8	0	0	0	0	109.3	D96 K97 C102 H103	D96-S100 PolarHBondContact O-N 3.25Å; K97-S100 WeakPolarHBondContact O-CA 3.12Å; K97-S100 WeakPolarHBondContact O-CB 3.41Å; K97-S100 PolarHBondContact O-N 3.33Å; K97-S100 PolarHBondContact O-OG 3.31Å; S100-C102 PolarHBondContact O-N 3.41Å; S100-C102 PolarHBondContact OG-N 3.49Å; S100-H103 PolarHBondContact O-N 2.65Å; S100-H103 PolarHBondContact OG-CD2 2.85Å
101	P	91.3	Very high	85.9	Confident	32 Å²	32	73.1 Å²	73.1	21%	0.208	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-49	-32.5	172.6	-32	38.7	0	0	0	113.4	H103 Q104 E139 N140 F142	P101-H103 VanDerWaalsContact C-N 3.34Å; P101-H103 PolarHBondContact O-N 3.47Å; P101-Q104 WeakPolarHBondContact O-CB 3.22Å; P101-Q104 PolarHBondContact O-N 3.12Å; P101-E139 HydrophobicContact CB-CB 3.9Å; P101-E139 WeakPolarHBondContact CB-O 3.37Å; P101-E139 HydrophobicContact CG-CB 3.76Å; P101-N140 WeakPolarHBondContact O-CB 2.82Å; P101-N140 VanDerWaalsContact O-CG 3.31Å; P101-F142 HydrophobicContact CB-CE1 4.26Å; P101-F142 HydrophobicContact CB-CZ 3.77Å
102	C	90.9	Very high	86.4	Confident	11 Å²	11	79.2 Å²	79.2	7%	0.074	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-72.5	-26.3	-170.5	-46.5	0	0	0	0	113.6	S100 Y120 R151 C152	S100-C102 PolarHBondContact O-N 3.41Å; S100-C102 PolarHBondContact OG-N 3.49Å; C102-Y120 HydrophobicContact CB-CD1 4.01Å; C102-Y120 WeakPolarHBondContact O-CD1 3.06Å; C102-R151 PolarHBondContact SG-O 3.19Å; C102-R151 VanDerWaalsContact SG-O 3.34Å; C102-C152 WeakPolarHBondContact CA-SG 3.48Å; C102-C152 HydrophobicContact CB-CB 3.53Å; C102-C152 WeakPolarHBondContact CB-SG 3.45Å; C102-C152 WeakPolarHBondContact SG-CA 3.22Å; C102-C152 WeakPolarHBondContact SG-CB 3.48Å; C102-C152 CovalentContact SG-SG 2.03Å; C102-C152 PolarHBondContact SG-SG 2.88Å
103	H	87.4	Confident	86.9	Confident	51 Å²	51	74.4 Å²	74.4	24%	0.236	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-90.8	-5	177.1	-75.9	-85.4	0	0	0	113.4	K97 S100 P101 Q122	K97-H103 PolarHBondContact O-CD2 3.05Å; S100-H103 PolarHBondContact O-N 2.65Å; S100-H103 PolarHBondContact OG-CD2 2.85Å; P101-H103 VanDerWaalsContact C-N 3.34Å; P101-H103 PolarHBondContact O-N 3.47Å; H103-Q122 PolarHBondContact ND1-OE1 3.42Å; H103-Q122 PolarHBondContact O-NE2 3.33Å
104	Q	90.8	Very high	87.5	Confident	35 Å²	35	77.7 Å²	77.7	16%	0.164	41%	0.41	C	S	.	.	S	Bend	trans	-80	148	179.5	-61.9	179.1	-3.6	0	0	111.6	P101 N138 E139 N140	P101-Q104 WeakPolarHBondContact O-CB 3.22Å; P101-Q104 PolarHBondContact O-N 3.12Å; Q104-N138 VanDerWaalsContact OE1-CG 3.26Å; Q104-E139 VanDerWaalsContact CD-OE2 3.29Å; Q104-E139 PolarHBondContact NE2-OE2 2.8Å; Q104-E139 PolarHBondContact OE1-OE2 2.98Å; Q104-N140 HydrophobicContact CB-CB 4.21Å; Q104-N140 PolarHBondContact O-ND2 2.7Å
105	P	92.7	Very high	88.3	Confident	97 Å²	97	80.3 Å²	80.3	63%	0.63	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-65.5	160.5	179.3	28.7	-35.9	0	0	0	111.8	D107 N138	P105-D107 PolarHBondContact O-N 3.3Å; P105-N138 PolarHBondContact O-ND2 3.34Å
106	L	95.3	Very high	89.5	Confident	83 Å²	83	79.2 Å²	79.2	44%	0.435	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-65.1	120.3	169.5	-177.2	71.2	0	0	0	109.8	L108 A119 F130	L106-L108 HydrophobicContact CD2-CD2 4.43Å; L106-A119 HydrophobicContact CD1-CB 3.46Å; L106-A119 VanDerWaalsContact CD1-CB 3.46Å; L106-F130 HydrophobicContact CD1-CB 3.99Å; L106-F130 HydrophobicContact CD1-CD1 3.71Å; L106-F130 HydrophobicContact CD1-CD2 3.83Å; L106-F130 HydrophobicContact CD1-CE1 4.05Å; L106-F130 HydrophobicContact CD1-CE2 4.15Å; L106-F130 HydrophobicContact CD1-CG 3.59Å; L106-F130 HydrophobicContact CD1-CZ 4.25Å; L106-F130 HydrophobicContact CD2-CB 4.46Å
107	D	97	Very high	90.8	Very high	64 Å²	64	75.7 Å²	75.7	34%	0.342	40%	0.4	S	S	.	.			trans	-119.4	115.9	175.7	-167.5	-16.7	0	0	0	110.7	P105 G109 F130 G137	P105-D107 PolarHBondContact O-N 3.3Å; D107-G109 PolarHBondContact O-N 3.41Å; D107-G109 WeakPolarHBondContact OD1-CA 3.46Å; D107-G109 PolarHBondContact OD1-N 2.65Å; D107-F130 WeakPolarHBondContact O-CE2 3.39Å; D107-G137 WeakPolarHBondContact OD2-CA 3.37Å
108	L	97.7	Very high	92.2	Very high	77 Å²	77	75.4 Å²	75.4	40%	0.403	40%	0.398	S	S	.	.			trans	-69.5	-13	178.2	-55.6	-176.8	0	0	0	112.4	L106 F130 Y132 R133	L106-L108 HydrophobicContact CD2-CD2 4.43Å; L108-F130 HydrophobicContact CD2-CD2 3.81Å; L108-F130 HydrophobicContact CD2-CE2 4.46Å; L108-Y132 WeakPolarHBondContact O-CD2 3.4Å; L108-R133 VanDerWaalsContact O-CB 3.28Å; L108-R133 WeakPolarHBondContact O-CB 3.18Å; L108-R133 WeakPolarHBondContact O-CG 3.17Å; L108-R133 PolarHBondContact O-N 2.86Å
109	G	97.1	Very high	93.7	Very high	14 Å²	14	71.1 Å²	71.1	14%	0.144	38%	0.377	C	S	.	.			trans	72.6	-157.8	-173.5	0	0	0	0	0	112.7	D107 R133 D135	D107-G109 PolarHBondContact O-N 3.41Å; D107-G109 WeakPolarHBondContact OD1-CA 3.46Å; D107-G109 PolarHBondContact OD1-N 2.65Å; G109-R133 WeakPolarHBondContact O-CD 3.48Å; G109-D135 CarbonylContact C-O 3.59Å; G109-D135 WeakPolarHBondContact CA-O 3.36Å
110	R	95.9	Very high	94.7	Very high	192 Å²	192	65.9 Å²	65.9	73%	0.725	35%	0.353	S	S	*	.	B	Isolated β-bridge	trans	-125.5	161.9	179.8	-56.1	177.6	-162.1	172	6	108.5	R133 D135	R110-R133 VanDerWaalsContact C-CB 3.48Å; R110-R133 CarbonylContact O-C 3.32Å; R110-R133 WeakPolarHBondContact O-CB 3.46Å; R110-D135 PolarHBondContact N-O 3.03Å; R110-D135 WeakPolarHBondContact O-CB 3.4Å; R110-D135 PolarHBondContact O-N 3.14Å
111	G	95.3	Very high	95.1	Very high	42 Å²	42	65.2 Å²	65.2	43%	0.433	35%	0.349	S	S	.	.	S	Bend	trans	105.7	-167.9	-175.3	0	0	0	0	0	113.9	R133	G111-R133 PolarHBondContact O-NH1 3.19Å
112	M	95.4	Very high	94.7	Very high	191 Å²	191	68.3 Å²	68.3	94%	0.941	36%	0.361	S	S	*	.	S	Bend	trans	-127.9	11.8	-173.6	-59.4	-176.8	-177.5	0	0	112.7	R133	M112-R133 PolarHBondContact N-O 3.35Å
113	G	95.2	Very high	94.5	Very high	33 Å²	33	76.9 Å²	76.9	34%	0.34	40%	0.4	S	S	.	.			trans	-72.1	155.6	176.4	0	0	0	0	0	112.2	R133	G113-R133 WeakPolarHBondContact CA-O 3.46Å; G113-R133 PolarHBondContact N-O 2.81Å; G113-R133 WeakPolarHBondContact O-CA 3.31Å
114	V	97.1	Very high	94.5	Very high	107 Å²	107	80.6 Å²	80.6	65%	0.648	41%	0.411	S	S	*	.			trans	-119.3	81.9	168.9	-177.4	0	0	0	0	106.9	Q131	V114-Q131 HydrophobicContact CG1-CG 4.17Å
115	I	97.5	Very high	94.3	Very high	65 Å²	65	81.2 Å²	81.2	33%	0.333	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.9	-178	-51.2	178.4	0	0	0	108.3	R117 Y132	I115-R117 HydrophobicContact CG2-CG 4.29Å; I115-R117 PolarHBondContact O-N 2.83Å; I115-Y132 HydrophobicContact CD1-CD1 4.48Å; I115-Y132 PolarHBondContact N-O 3.34Å; I115-Y132 PolarHBondContact O-N 3.34Å
116	L	97.8	Very high	94.3	Very high	111 Å²	111	80.6 Å²	80.6	58%	0.581	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	124.9	175.7	-66.8	177.5	0	0	0	110.1	F129 Q131	L116-F129 HydrophobicContact CD2-CD2 4.14Å; L116-Q131 HydrophobicContact CD2-CG 4.17Å
117	R	98.3	Very high	94.4	Very high	51 Å²	51	77 Å²	77	19%	0.192	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	168.1	177.7	-65.2	-68.1	177.2	73.9	0.2	109.4	I115 F129 F130 Y132 N141 F142 N143	I115-R117 HydrophobicContact CG2-CG 4.29Å; I115-R117 PolarHBondContact O-N 2.83Å; R117-F129 CarbonylContact O-C 3.42Å; R117-F129 WeakPolarHBondContact O-CA 3.43Å; R117-F130 HydrophobicContact CB-CD1 4.1Å; R117-F130 HydrophobicContact CB-CE1 3.58Å; R117-F130 HydrophobicContact CB-CZ 3.92Å; R117-F130 PolarHBondContact N-O 2.84Å; R117-F130 PolarHBondContact O-N 2.03Å; R117-Y132 HydrophobicContact CG-CD1 4.33Å; R117-Y132 HydrophobicContact CG-CG 4.34Å; R117-N141 WeakPolarHBondContact CB-OD1 2.98Å; R117-N141 VanDerWaalsContact CD-OD1 3.22Å; R117-N141 WeakPolarHBondContact CD-OD1 3.38Å; R117-N141 WeakPolarHBondContact CG-OD1 2.98Å; R117-N141 PolarHBondContact NH1-OD1 2.89Å; R117-F142 CarbonylContact C-O 3.5Å; R117-F142 WeakPolarHBondContact CA-O 3.39Å; R117-N143 PolarHBondContact NE-OD1 3.27Å
118	Y	98.2	Very high	94.3	Very high	68 Å²	68	75.6 Å²	75.6	27%	0.267	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	144.2	174	-71.2	-94.4	0	0	0	110.5	H128 F129 N141 F142 K145	Y118-H128 CarbonylContact C-O 3.55Å; Y118-H128 VanDerWaalsContact CA-O 3.28Å; Y118-H128 WeakPolarHBondContact CA-O 3.01Å; Y118-F129 HydrophobicContact CD1-CB 4.24Å; Y118-F129 HydrophobicContact CE1-CB 4Å; Y118-N141 WeakPolarHBondContact O-CA 3.31Å; Y118-F142 PolarHBondContact N-O 2.86Å; Y118-F142 VanDerWaalsContact O-CD2 3.31Å; Y118-F142 WeakPolarHBondContact O-CD2 3.37Å; Y118-F142 PolarHBondContact O-N 3.42Å; Y118-K145 HydrophobicContact CD1-CB 3.76Å; Y118-K145 HydrophobicContact CD1-CG 4.09Å; Y118-K145 HydrophobicContact CD2-CB 4.48Å; Y118-K145 HydrophobicContact CE1-CB 3.48Å; Y118-K145 VanDerWaalsContact CE1-CB 3.48Å; Y118-K145 HydrophobicContact CE1-CD 4.18Å; Y118-K145 HydrophobicContact CE1-CG 3.94Å; Y118-K145 HydrophobicContact CE2-CB 4.24Å; Y118-K145 HydrophobicContact CG-CB 4.25Å
119	A	97.4	Very high	94.3	Very high	0 Å²	0	78.5 Å²	78.5	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	146.2	171.9	0	0	0	0	0	109.1	L106 C127 H128 F130 N140	L106-A119 HydrophobicContact CD1-CB 3.46Å; L106-A119 VanDerWaalsContact CD1-CB 3.46Å; A119-C127 WeakPolarHBondContact O-CA 3.48Å; A119-H128 PolarHBondContact N-O 3.21Å; A119-H128 PolarHBondContact O-CE1 3.24Å; A119-H128 PolarHBondContact O-N 3.01Å; A119-H128 PolarHBondContact O-ND1 3.15Å; A119-H128 VanDerWaalsContact O-ND1 3.11Å; A119-F130 HydrophobicContact CB-CD1 3.75Å; A119-F130 HydrophobicContact CB-CE1 3.7Å; A119-N140 VanDerWaalsContact CA-OD1 3.31Å; A119-N140 WeakPolarHBondContact CA-OD1 3.45Å; A119-N140 WeakPolarHBondContact CB-O 3.31Å
120	Y	95.7	Very high	94.3	Very high	30 Å²	30	78.5 Å²	78.5	12%	0.118	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	133.4	173.7	-179.8	-104.6	0	0	0	110.2	C102 Q122 D125 N140 C148 C152 V153	C102-Y120 HydrophobicContact CB-CD1 4.01Å; C102-Y120 WeakPolarHBondContact O-CD1 3.06Å; Y120-Q122 HydrophobicContact CD1-CG 4.22Å; Y120-Q122 HydrophobicContact CE1-CB 4.43Å; Y120-Q122 HydrophobicContact CE1-CG 3.87Å; Y120-D125 PolarHBondContact OH-OD1 2.93Å; Y120-N140 PolarHBondContact N-OD1 3.3Å; Y120-N140 PolarHBondContact O-ND2 3.5Å; Y120-C148 PolarHBondContact N-SG 3.23Å; Y120-C152 HydrophobicContact CD1-CB 3.93Å; Y120-C152 HydrophobicContact CD2-CB 3.6Å; Y120-C152 HydrophobicContact CE2-CB 4.26Å; Y120-C152 HydrophobicContact CG-CB 3.4Å; Y120-C152 VanDerWaalsContact CG-CB 3.4Å; Y120-V153 HydrophobicContact CD2-CG2 4.17Å; Y120-V153 HydrophobicContact CE2-CG2 3.92Å
121	S	92.2	Very high	94.4	Very high	16 Å²	16	75 Å²	75	11%	0.112	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	111.8	172.9	178.1	0	0	0	0	108.6	E123 R124 D125 E126	S121-E123 VanDerWaalsContact C-N 3.28Å; S121-E123 PolarHBondContact O-N 3.1Å; S121-R124 PolarHBondContact O-N 3.37Å; S121-R124 PolarHBondContact OG-N 3.06Å; S121-R124 PolarHBondContact OG-NE 2.83Å; S121-D125 WeakPolarHBondContact O-CA 3.15Å; S121-D125 PolarHBondContact O-N 3Å; S121-E126 PolarHBondContact N-O 3.34Å; S121-E126 PolarHBondContact O-N 2.95Å
122	Q	84.7	Confident	94.5	Very high	97 Å²	97	74.1 Å²	74.1	45%	0.453	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-41.7	173.8	-71.4	171.2	83.5	0	0	111.4	H103 Y120 R124 D125	H103-Q122 PolarHBondContact ND1-OE1 3.42Å; H103-Q122 PolarHBondContact O-NE2 3.33Å; Y120-Q122 HydrophobicContact CD1-CG 4.22Å; Y120-Q122 HydrophobicContact CE1-CB 4.43Å; Y120-Q122 HydrophobicContact CE1-CG 3.87Å; Q122-R124 VanDerWaalsContact C-N 3.27Å; Q122-R124 PolarHBondContact O-N 3.11Å; Q122-D125 PolarHBondContact O-N 2.77Å
123	E	85.6	Confident	94.7	Very high	191 Å²	191	70.7 Å²	70.7	89%	0.893	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-33.8	-179.4	-63.3	178.5	177	0	0	113.7	S121	S121-E123 VanDerWaalsContact C-N 3.28Å; S121-E123 PolarHBondContact O-N 3.1Å
124	R	88.2	Confident	94.7	Very high	128 Å²	128	70.9 Å²	70.9	48%	0.483	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-5.4	-177.8	-67.3	-176.9	-74.4	162.4	-15.7	113.3	S121 Q122 E126 H128	S121-R124 PolarHBondContact O-N 3.37Å; S121-R124 PolarHBondContact OG-N 3.06Å; S121-R124 PolarHBondContact OG-NE 2.83Å; Q122-R124 VanDerWaalsContact C-N 3.27Å; Q122-R124 PolarHBondContact O-N 3.11Å; R124-E126 HydrophobicContact CB-CG 3.65Å; R124-E126 VanDerWaalsContact CD-OE1 3.29Å; R124-E126 WeakPolarHBondContact CD-OE1 2.95Å; R124-E126 IonicContact CZ-OE1 3.9Å; R124-E126 IonicContact NE-OE1 2.7Å; R124-E126 IonicContact NH1-OE1 3.22Å; R124-E126 PolarHBondContact NH1-OE1 3.09Å; R124-E126 PolarHBondContact O-N 2.76Å; R124-H128 PolarHBondContact NH2-CD2 2.81Å; R124-H128 VanDerWaalsContact NH2-CD2 3.34Å; R124-H128 PolarHBondContact NH2-CE1 3.02Å; R124-H128 PolarHBondContact NH2-ND1 3.4Å; R124-H128 PolarHBondContact NH2-NE2 3.18Å
125	D	86.8	Confident	94.8	Very high	49 Å²	49	70.9 Å²	70.9	26%	0.262	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	43.2	-171	-169.6	21.8	0	0	0	112.4	Y120 S121 Q122 R156	Y120-D125 PolarHBondContact OH-OD1 2.93Å; S121-D125 WeakPolarHBondContact O-CA 3.15Å; S121-D125 PolarHBondContact O-N 3Å; Q122-D125 PolarHBondContact O-N 2.77Å; D125-R156 IonicContact OD2-CZ 3.51Å; D125-R156 IonicContact OD2-NE 3.31Å; D125-R156 PolarHBondContact OD2-NE 3.48Å; D125-R156 IonicContact OD2-NH2 3.43Å; D125-R156 PolarHBondContact OD2-NH2 2.96Å
126	E	92.7	Very high	94.7	Very high	84 Å²	84	69.9 Å²	69.9	39%	0.393	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	150.4	-174.7	79.5	-178.5	174	0	0	113.5	S121 R124	S121-E126 PolarHBondContact N-O 3.34Å; S121-E126 PolarHBondContact O-N 2.95Å; R124-E126 HydrophobicContact CB-CG 3.65Å; R124-E126 VanDerWaalsContact CD-OE1 3.29Å; R124-E126 WeakPolarHBondContact CD-OE1 2.95Å; R124-E126 IonicContact CZ-OE1 3.9Å; R124-E126 IonicContact NE-OE1 2.7Å; R124-E126 IonicContact NH1-OE1 3.22Å; R124-E126 PolarHBondContact NH1-OE1 3.09Å; R124-E126 PolarHBondContact O-N 2.76Å
127	C	95.9	Very high	94.6	Very high	6 Å²	6	66 Å²	66	4%	0.041	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	119.4	169.4	-72.1	0	0	0	0	111	A119 K145 C148 E149	A119-C127 WeakPolarHBondContact O-CA 3.48Å; C127-K145 HydrophobicContact CB-CG 4.31Å; C127-C148 HydrophobicContact CB-CB 3.67Å; C127-C148 WeakPolarHBondContact CB-SG 3.27Å; C127-C148 WeakPolarHBondContact SG-CB 3.2Å; C127-C148 CovalentContact SG-SG 2.03Å; C127-C148 PolarHBondContact SG-SG 3.2Å; C127-E149 HydrophobicContact CB-CG 3.95Å; C127-E149 PolarHBondContact SG-N 3.25Å
128	H	96	Very high	94.5	Very high	35 Å²	35	65.2 Å²	65.2	16%	0.162	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	155	178.8	64.1	-77.7	0	0	0	110.7	Y118 A119 R124	Y118-H128 CarbonylContact C-O 3.55Å; Y118-H128 VanDerWaalsContact CA-O 3.28Å; Y118-H128 WeakPolarHBondContact CA-O 3.01Å; A119-H128 PolarHBondContact N-O 3.21Å; A119-H128 PolarHBondContact O-CE1 3.24Å; A119-H128 PolarHBondContact O-N 3.01Å; A119-H128 PolarHBondContact O-ND1 3.15Å; A119-H128 VanDerWaalsContact O-ND1 3.11Å; R124-H128 PolarHBondContact NH2-CD2 2.81Å; R124-H128 VanDerWaalsContact NH2-CD2 3.34Å; R124-H128 PolarHBondContact NH2-CE1 3.02Å; R124-H128 PolarHBondContact NH2-ND1 3.4Å; R124-H128 PolarHBondContact NH2-NE2 3.18Å
129	F	96.7	Very high	94.4	Very high	139 Å²	139	67.6 Å²	67.6	61%	0.61	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	150.8	176.2	69.5	-90.6	0	0	0	111.4	L116 R117 Y118	L116-F129 HydrophobicContact CD2-CD2 4.14Å; R117-F129 CarbonylContact O-C 3.42Å; R117-F129 WeakPolarHBondContact O-CA 3.43Å; Y118-F129 HydrophobicContact CD1-CB 4.24Å; Y118-F129 HydrophobicContact CE1-CB 4Å
130	F	97.3	Very high	94.3	Very high	13 Å²	13	67.6 Å²	67.6	6%	0.057	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	166.2	173.4	76.8	-79.9	0	0	0	111.1	L106 D107 L108 R117 A119 Y132 N141	L106-F130 HydrophobicContact CD1-CB 3.99Å; L106-F130 HydrophobicContact CD1-CD1 3.71Å; L106-F130 HydrophobicContact CD1-CD2 3.83Å; L106-F130 HydrophobicContact CD1-CE1 4.05Å; L106-F130 HydrophobicContact CD1-CE2 4.15Å; L106-F130 HydrophobicContact CD1-CG 3.59Å; L106-F130 HydrophobicContact CD1-CZ 4.25Å; L106-F130 HydrophobicContact CD2-CB 4.46Å; D107-F130 WeakPolarHBondContact O-CE2 3.39Å; L108-F130 HydrophobicContact CD2-CD2 3.81Å; L108-F130 HydrophobicContact CD2-CE2 4.46Å; R117-F130 HydrophobicContact CB-CD1 4.1Å; R117-F130 HydrophobicContact CB-CE1 3.58Å; R117-F130 HydrophobicContact CB-CZ 3.92Å; R117-F130 PolarHBondContact N-O 2.84Å; R117-F130 PolarHBondContact O-N 2.03Å; A119-F130 HydrophobicContact CB-CD1 3.75Å; A119-F130 HydrophobicContact CB-CE1 3.7Å; F130-Y132 HydrophobicContact CE2-CD2 4.36Å; F130-Y132 HydrophobicContact CE2-CG 4.5Å; F130-N141 HydrophobicContact CZ-CB 4.2Å
131	Q	98	Very high	94.4	Very high	120 Å²	120	67.5 Å²	67.5	56%	0.561	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	104	176.2	-66.1	-178.6	19.2	0	0	110.5	V114 L116	V114-Q131 HydrophobicContact CG1-CG 4.17Å; L116-Q131 HydrophobicContact CD2-CG 4.17Å
132	Y	98.3	Very high	94.7	Very high	22 Å²	22	66.8 Å²	66.8	9%	0.086	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	133.7	173.2	175.7	-118.9	0	0	0	110.8	L108 I115 R117 F130 G134 D135 G136 N141	L108-Y132 WeakPolarHBondContact O-CD2 3.4Å; I115-Y132 HydrophobicContact CD1-CD1 4.48Å; I115-Y132 PolarHBondContact N-O 3.34Å; I115-Y132 PolarHBondContact O-N 3.34Å; R117-Y132 HydrophobicContact CG-CD1 4.33Å; R117-Y132 HydrophobicContact CG-CG 4.34Å; F130-Y132 HydrophobicContact CE2-CD2 4.36Å; F130-Y132 HydrophobicContact CE2-CG 4.5Å; Y132-G134 VanDerWaalsContact C-N 3.28Å; Y132-G134 VanDerWaalsContact CE1-C 3.45Å; Y132-G134 PolarHBondContact O-N 3.22Å; Y132-G134 PolarHBondContact OH-O 3.23Å; Y132-D135 VanDerWaalsContact OH-CA 3.27Å; Y132-D135 WeakPolarHBondContact OH-CA 3.39Å; Y132-D135 PolarHBondContact OH-N 2.93Å; Y132-D135 PolarHBondContact OH-O 3.04Å; Y132-G136 PolarHBondContact OH-N 2.75Å; Y132-G136 PolarHBondContact OH-O 3.25Å; Y132-N141 WeakPolarHBondContact CD2-ND2 3.49Å; Y132-N141 VanDerWaalsContact CG-ND2 3.34Å
133	R	98.3	Very high	95.3	Very high	119 Å²	119	67.2 Å²	67.2	45%	0.449	34%	0.342	S	S	.	.			trans	-77.8	-9	-173.4	-70.4	175.6	176.7	-96.3	0.6	114.8	L108 G109 R110 G111 M112 G113	L108-R133 VanDerWaalsContact O-CB 3.28Å; L108-R133 WeakPolarHBondContact O-CB 3.18Å; L108-R133 WeakPolarHBondContact O-CG 3.17Å; L108-R133 PolarHBondContact O-N 2.86Å; G109-R133 WeakPolarHBondContact O-CD 3.48Å; R110-R133 VanDerWaalsContact C-CB 3.48Å; R110-R133 CarbonylContact O-C 3.32Å; R110-R133 WeakPolarHBondContact O-CB 3.46Å; G111-R133 PolarHBondContact O-NH1 3.19Å; M112-R133 PolarHBondContact N-O 3.35Å; G113-R133 WeakPolarHBondContact CA-O 3.46Å; G113-R133 PolarHBondContact N-O 2.81Å; G113-R133 WeakPolarHBondContact O-CA 3.31Å
134	G	96.7	Very high	95.8	Very high	38 Å²	38	61.5 Å²	61.5	39%	0.392	32%	0.32	S	S	.	.	S	Bend	trans	104.7	-17.9	171.3	0	0	0	0	0	115.4	Y132	Y132-G134 VanDerWaalsContact C-N 3.28Å; Y132-G134 VanDerWaalsContact CE1-C 3.45Å; Y132-G134 PolarHBondContact O-N 3.22Å; Y132-G134 PolarHBondContact OH-O 3.23Å
135	D	97.6	Very high	96.2	Very high	107 Å²	107	60 Å²	60	57%	0.572	32%	0.317	S	S	*	.	B	Isolated β-bridge	trans	-134	154.7	178.8	-175	37.3	0	0	0	112.3	G109 R110 Y132	G109-D135 CarbonylContact C-O 3.59Å; G109-D135 WeakPolarHBondContact CA-O 3.36Å; R110-D135 PolarHBondContact N-O 3.03Å; R110-D135 WeakPolarHBondContact O-CB 3.4Å; R110-D135 PolarHBondContact O-N 3.14Å; Y132-D135 VanDerWaalsContact OH-CA 3.27Å; Y132-D135 WeakPolarHBondContact OH-CA 3.39Å; Y132-D135 PolarHBondContact OH-N 2.93Å; Y132-D135 PolarHBondContact OH-O 3.04Å
136	G	96.7	Very high	96.6	Very high	43 Å²	43	67.5 Å²	67.5	44%	0.443	34%	0.342	S	S	.	.	S	Bend	trans	63.2	-137.8	-177.2	0	0	0	0	0	114.3	Y132	Y132-G136 PolarHBondContact OH-N 2.75Å; Y132-G136 PolarHBondContact OH-O 3.25Å
137	G	95.2	Very high	96.7	Very high	31 Å²	31	65.9 Å²	65.9	32%	0.32	33%	0.334	S	S	.	.			trans	83.3	-162.9	-176.5	0	0	0	0	0	113.5	D107	D107-G137 WeakPolarHBondContact OD2-CA 3.37Å
138	N	96	Very high	96.7	Very high	33 Å²	33	65.6 Å²	65.6	18%	0.176	33%	0.332	C	S	.	.			trans	-135.4	-177.5	175.2	69.7	24.6	0	0	0	110.9	Q104 P105 N140 N141	Q104-N138 VanDerWaalsContact OE1-CG 3.26Å; P105-N138 PolarHBondContact O-ND2 3.34Å; N138-N140 VanDerWaalsContact C-N 3.27Å; N138-N140 PolarHBondContact O-N 2.91Å; N138-N140 WeakPolarHBondContact OD1-CB 3.43Å; N138-N140 PolarHBondContact OD1-N 2.78Å; N138-N141 WeakPolarHBondContact O-CB 3.39Å
139	E	95.8	Very high	96.6	Very high	118 Å²	118	67.4 Å²	67.4	55%	0.551	34%	0.34	S	S	*	.	S	Bend	trans	-73.8	-12.2	-173.7	-63.7	88.6	161.2	0	0	114.3	P101 Q104 N141	P101-E139 HydrophobicContact CB-CB 3.9Å; P101-E139 WeakPolarHBondContact CB-O 3.37Å; P101-E139 HydrophobicContact CG-CB 3.76Å; Q104-E139 VanDerWaalsContact CD-OE2 3.29Å; Q104-E139 PolarHBondContact NE2-OE2 2.8Å; Q104-E139 PolarHBondContact OE1-OE2 2.98Å; E139-N141 PolarHBondContact O-N 3.31Å
140	N	96.5	Very high	96.3	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.005	35%	0.345	C	S	.	.			trans	-72.9	55.7	171.7	-159.1	-3	0	0	0	111.6	P101 Q104 A119 Y120 N138 F142	P101-N140 WeakPolarHBondContact O-CB 2.82Å; P101-N140 VanDerWaalsContact O-CG 3.31Å; Q104-N140 HydrophobicContact CB-CB 4.21Å; Q104-N140 PolarHBondContact O-ND2 2.7Å; A119-N140 VanDerWaalsContact CA-OD1 3.31Å; A119-N140 WeakPolarHBondContact CA-OD1 3.45Å; A119-N140 WeakPolarHBondContact CB-O 3.31Å; Y120-N140 PolarHBondContact N-OD1 3.3Å; Y120-N140 PolarHBondContact O-ND2 3.5Å; N138-N140 VanDerWaalsContact C-N 3.27Å; N138-N140 PolarHBondContact O-N 2.91Å; N138-N140 WeakPolarHBondContact OD1-CB 3.43Å; N138-N140 PolarHBondContact OD1-N 2.78Å; N140-F142 WeakPolarHBondContact OD1-CE2 3.39Å
141	N	97.9	Very high	95.9	Very high	28 Å²	28	71.1 Å²	71.1	15%	0.15	37%	0.369	C	S	.	.			trans	-151.6	95.4	-169.8	-173.7	-30.5	0	0	0	109	R117 Y118 F130 Y132 N138 E139	R117-N141 WeakPolarHBondContact CB-OD1 2.98Å; R117-N141 VanDerWaalsContact CD-OD1 3.22Å; R117-N141 WeakPolarHBondContact CD-OD1 3.38Å; R117-N141 WeakPolarHBondContact CG-OD1 2.98Å; R117-N141 PolarHBondContact NH1-OD1 2.89Å; Y118-N141 WeakPolarHBondContact O-CA 3.31Å; F130-N141 HydrophobicContact CZ-CB 4.2Å; Y132-N141 WeakPolarHBondContact CD2-ND2 3.49Å; Y132-N141 VanDerWaalsContact CG-ND2 3.34Å; N138-N141 WeakPolarHBondContact O-CB 3.39Å; E139-N141 PolarHBondContact O-N 3.31Å
142	F	98	Very high	95.5	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-110.1	148.9	-174.8	-50.3	-77	0	0	0	111	P101 R117 Y118 N140 T144 E147 C148 R151	P101-F142 HydrophobicContact CB-CE1 4.26Å; P101-F142 HydrophobicContact CB-CZ 3.77Å; R117-F142 CarbonylContact C-O 3.5Å; R117-F142 WeakPolarHBondContact CA-O 3.39Å; Y118-F142 PolarHBondContact N-O 2.86Å; Y118-F142 VanDerWaalsContact O-CD2 3.31Å; Y118-F142 WeakPolarHBondContact O-CD2 3.37Å; Y118-F142 PolarHBondContact O-N 3.42Å; N140-F142 WeakPolarHBondContact OD1-CE2 3.39Å; F142-T144 VanDerWaalsContact C-N 3.35Å; F142-E147 HydrophobicContact CB-CB 4.25Å; F142-E147 HydrophobicContact CB-CG 4.21Å; F142-E147 HydrophobicContact CD1-CG 3.91Å; F142-E147 HydrophobicContact CG-CG 4.44Å; F142-C148 HydrophobicContact CB-CB 3.9Å; F142-C148 HydrophobicContact CD2-CB 3.3Å; F142-C148 WeakPolarHBondContact CD2-SG 3.37Å; F142-C148 HydrophobicContact CE2-CB 3.94Å; F142-C148 HydrophobicContact CG-CB 3.69Å; F142-R151 HydrophobicContact CE1-CB 4.26Å; F142-R151 HydrophobicContact CE1-CG 4.49Å; F142-R151 HydrophobicContact CZ-CB 4.46Å
143	N	97	Very high	94.9	Very high	106 Å²	106	67.1 Å²	67.1	57%	0.567	36%	0.355	S	S	*	.	S	Bend	trans	-76.3	-26.6	-179.3	-70.7	-52.6	0	0	0	112.3	R117 E147	R117-N143 PolarHBondContact NE-OD1 3.27Å; N143-E147 PolarHBondContact N-OE2 3.29Å
144	T	96.9	Very high	93.5	Very high	71 Å²	71	65.6 Å²	65.6	44%	0.436	35%	0.354	S	S	.	.	S	Bend	trans	-137.1	152.8	-177	67.9	0	0	0	0	111.3	F142 R146 E147 C148	F142-T144 VanDerWaalsContact C-N 3.35Å; T144-R146 VanDerWaalsContact C-N 3.26Å; T144-R146 PolarHBondContact O-N 2.03Å; T144-E147 PolarHBondContact O-N 3.47Å; T144-E147 WeakPolarHBondContact OG1-CB 3.47Å; T144-E147 PolarHBondContact OG1-N 3.17Å; T144-E147 VanDerWaalsContact OG1-N 3.15Å; T144-C148 PolarHBondContact O-N 3.25Å
145	K	96.3	Very high	91.6	Very high	98 Å²	98	67.9 Å²	67.9	43%	0.426	36%	0.361	S	S	.	.	H	α-helix	trans	-54.9	-44.5	173.9	-170.9	169.8	164.2	170.3	0	111.4	Y118 C127 E147 C148 E149	Y118-K145 HydrophobicContact CD1-CB 3.76Å; Y118-K145 HydrophobicContact CD1-CG 4.09Å; Y118-K145 HydrophobicContact CD2-CB 4.48Å; Y118-K145 HydrophobicContact CE1-CB 3.48Å; Y118-K145 VanDerWaalsContact CE1-CB 3.48Å; Y118-K145 HydrophobicContact CE1-CD 4.18Å; Y118-K145 HydrophobicContact CE1-CG 3.94Å; Y118-K145 HydrophobicContact CE2-CB 4.24Å; Y118-K145 HydrophobicContact CG-CB 4.25Å; C127-K145 HydrophobicContact CB-CG 4.31Å; K145-E147 PolarHBondContact O-N 3.33Å; K145-C148 WeakPolarHBondContact O-CB 3.43Å; K145-C148 PolarHBondContact O-N 2.55Å; K145-E149 WeakPolarHBondContact CE-OE1 3.22Å; K145-E149 HydrophobicContact CG-CG 4.21Å; K145-E149 IonicContact NZ-OE1 2.75Å; K145-E149 WeakPolarHBondContact O-CG 3.09Å; K145-E149 PolarHBondContact O-N 3.39Å
146	R	95.2	Very high	89.4	Confident	206 Å²	206	71.8 Å²	71.8	78%	0.777	37%	0.368	S	S	*	.	H	α-helix	trans	-59.3	-41.3	178.7	-179.2	-179.5	170.7	-178.8	-1.4	112.8	T144 A150	T144-R146 VanDerWaalsContact C-N 3.26Å; T144-R146 PolarHBondContact O-N 2.03Å; R146-A150 WeakPolarHBondContact O-CB 3.34Å; R146-A150 PolarHBondContact O-N 2.91Å
147	E	95.4	Very high	86.7	Confident	49 Å²	49	73 Å²	73	23%	0.229	36%	0.364	C	S	.	.	H	α-helix	trans	-64.2	-43.7	176.8	-178.3	-174.5	-170.7	0	0	111.1	F142 N143 T144 K145 R151	F142-E147 HydrophobicContact CB-CB 4.25Å; F142-E147 HydrophobicContact CB-CG 4.21Å; F142-E147 HydrophobicContact CD1-CG 3.91Å; F142-E147 HydrophobicContact CG-CG 4.44Å; N143-E147 PolarHBondContact N-OE2 3.29Å; T144-E147 PolarHBondContact O-N 3.47Å; T144-E147 WeakPolarHBondContact OG1-CB 3.47Å; T144-E147 PolarHBondContact OG1-N 3.17Å; T144-E147 VanDerWaalsContact OG1-N 3.15Å; K145-E147 PolarHBondContact O-N 3.33Å; E147-R151 PolarHBondContact O-N 2.86Å; E147-R151 IonicContact OE1-CZ 3.41Å; E147-R151 IonicContact OE1-NH1 3.78Å; E147-R151 PolarHBondContact OE1-NH1 2.81Å; E147-R151 IonicContact OE1-NH2 3.49Å; E147-R151 PolarHBondContact OE1-NH2 3.45Å
148	C	95.7	Very high	84.3	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-60.8	-51.3	175.6	179.6	0	0	0	0	111.2	Y120 C127 F142 T144 K145 A150 R151 C152	Y120-C148 PolarHBondContact N-SG 3.23Å; C127-C148 HydrophobicContact CB-CB 3.67Å; C127-C148 WeakPolarHBondContact CB-SG 3.27Å; C127-C148 WeakPolarHBondContact SG-CB 3.2Å; C127-C148 CovalentContact SG-SG 2.03Å; C127-C148 PolarHBondContact SG-SG 3.2Å; F142-C148 HydrophobicContact CB-CB 3.9Å; F142-C148 HydrophobicContact CD2-CB 3.3Å; F142-C148 WeakPolarHBondContact CD2-SG 3.37Å; F142-C148 HydrophobicContact CE2-CB 3.94Å; F142-C148 HydrophobicContact CG-CB 3.69Å; T144-C148 PolarHBondContact O-N 3.25Å; K145-C148 WeakPolarHBondContact O-CB 3.43Å; K145-C148 PolarHBondContact O-N 2.55Å; C148-A150 PolarHBondContact O-N 2.65Å; C148-R151 PolarHBondContact O-N 3.15Å; C148-C152 VanDerWaalsContact O-CB 3.31Å; C148-C152 WeakPolarHBondContact O-CB 3.33Å; C148-C152 PolarHBondContact O-N 3.34Å
149	E	93.7	Very high	81.8	Confident	73 Å²	73	81.6 Å²	81.6	34%	0.341	40%	0.398	S	S	.	.	H	α-helix	trans	-63.1	-44.5	-178.1	-69.8	174.7	150	0	0	111.4	C127 K145 R151 C152 V153	C127-E149 HydrophobicContact CB-CG 3.95Å; C127-E149 PolarHBondContact SG-N 3.25Å; K145-E149 WeakPolarHBondContact CE-OE1 3.22Å; K145-E149 HydrophobicContact CG-CG 4.21Å; K145-E149 IonicContact NZ-OE1 2.75Å; K145-E149 WeakPolarHBondContact O-CG 3.09Å; K145-E149 PolarHBondContact O-N 3.39Å; E149-R151 PolarHBondContact O-N 3.17Å; E149-C152 PolarHBondContact O-N 2.7Å; E149-V153 HydrophobicContact CB-CB 4.31Å; E149-V153 HydrophobicContact CB-CG2 4.12Å; E149-V153 HydrophobicContact CG-CG2 4Å; E149-V153 WeakPolarHBondContact O-CA 3.41Å; E149-V153 WeakPolarHBondContact O-CB 3.42Å; E149-V153 PolarHBondContact O-N 3.24Å
150	A	89.8	Confident	79.5	Confident	86 Å²	86	78 Å²	78	71%	0.711	39%	0.386	S	S	*	.	H	α-helix	trans	-62.5	-25.9	178.3	0	0	0	0	0	113.4	R146 C148	R146-A150 WeakPolarHBondContact O-CB 3.34Å; R146-A150 PolarHBondContact O-N 2.91Å; C148-A150 PolarHBondContact O-N 2.65Å
151	R	88.9	Confident	77.2	Confident	145 Å²	145	85.6 Å²	85.6	55%	0.547	43%	0.427	S	S	.	.	H	α-helix	trans	-93.5	-32.3	177.8	-74.5	-173.3	-177.5	152.5	20.1	113.6	C102 F142 E147 C148 E149	C102-R151 PolarHBondContact SG-O 3.19Å; C102-R151 VanDerWaalsContact SG-O 3.34Å; F142-R151 HydrophobicContact CE1-CB 4.26Å; F142-R151 HydrophobicContact CE1-CG 4.49Å; F142-R151 HydrophobicContact CZ-CB 4.46Å; E147-R151 PolarHBondContact O-N 2.86Å; E147-R151 IonicContact OE1-CZ 3.41Å; E147-R151 IonicContact OE1-NH1 3.78Å; E147-R151 PolarHBondContact OE1-NH1 2.81Å; E147-R151 IonicContact OE1-NH2 3.49Å; E147-R151 PolarHBondContact OE1-NH2 3.45Å; C148-R151 PolarHBondContact O-N 3.15Å; E149-R151 PolarHBondContact O-N 3.17Å
152	C	90.6	Very high	74.7	Confident	8 Å²	8	90 Å²	90	5%	0.054	45%	0.45	C	S	.	.	H	α-helix	trans	-120.5	-25.6	-165.5	-61.5	0	0	0	0	115.3	C102 Y120 C148 E149 I154	C102-C152 WeakPolarHBondContact CA-SG 3.48Å; C102-C152 HydrophobicContact CB-CB 3.53Å; C102-C152 WeakPolarHBondContact CB-SG 3.45Å; C102-C152 WeakPolarHBondContact SG-CA 3.22Å; C102-C152 WeakPolarHBondContact SG-CB 3.48Å; C102-C152 CovalentContact SG-SG 2.03Å; C102-C152 PolarHBondContact SG-SG 2.88Å; Y120-C152 HydrophobicContact CD1-CB 3.93Å; Y120-C152 HydrophobicContact CD2-CB 3.6Å; Y120-C152 HydrophobicContact CE2-CB 4.26Å; Y120-C152 HydrophobicContact CG-CB 3.4Å; Y120-C152 VanDerWaalsContact CG-CB 3.4Å; C148-C152 VanDerWaalsContact O-CB 3.31Å; C148-C152 WeakPolarHBondContact O-CB 3.33Å; C148-C152 PolarHBondContact O-N 3.34Å; E149-C152 PolarHBondContact O-N 2.7Å; C152-I154 PolarHBondContact O-N 3.45Å
153	V	85.5	Confident	72.2	Confident	50 Å²	50	95.2 Å²	95.2	30%	0.303	48%	0.481	S	S	.	.			trans	-88	95.4	174.6	179.4	0	0	0	0	106.9	Y120 E149 T155	Y120-V153 HydrophobicContact CD2-CG2 4.17Å; Y120-V153 HydrophobicContact CE2-CG2 3.92Å; E149-V153 HydrophobicContact CB-CB 4.31Å; E149-V153 HydrophobicContact CB-CG2 4.12Å; E149-V153 HydrophobicContact CG-CG2 4Å; E149-V153 WeakPolarHBondContact O-CA 3.41Å; E149-V153 WeakPolarHBondContact O-CB 3.42Å; E149-V153 PolarHBondContact O-N 3.24Å; V153-T155 PolarHBondContact O-N 2.85Å; V153-T155 VanDerWaalsContact O-N 3.14Å
154	I	68.6	Low	69.6	Low	86 Å²	86	96.2 Å²	96.2	44%	0.441	49%	0.491	S	S	.	.			trans	-69.4	110.1	166.3	-58	176.2	0	0	0	105.2	D66 C152 R156	D66-I154 WeakPolarHBondContact OD2-CD1 3.35Å; C152-I154 PolarHBondContact O-N 3.45Å; I154-R156 PolarHBondContact O-N 3.43Å
155	T	56.8	Low	66.9	Low	86 Å²	86	100.6 Å²	100.6	53%	0.528	51%	0.506	S	S	.	.			trans	-54.8	115.1	169.5	50.1	0	0	0	0	106.2	V153 N157 S160	V153-T155 PolarHBondContact O-N 2.85Å; V153-T155 VanDerWaalsContact O-N 3.14Å; T155-N157 PolarHBondContact O-N 3.39Å; T155-S160 WeakPolarHBondContact CB-OG 3.29Å; T155-S160 PolarHBondContact OG1-OG 3.22Å
156	R	51.8	Low	64.3	Low	189 Å²	189	100.7 Å²	100.7	71%	0.713	52%	0.517	S	S	*	.	S	Bend	trans	-63.3	56.3	-175.4	-65.1	-178.5	179.3	154.9	-2.7	112.3	D125 I154	D125-R156 IonicContact OD2-CZ 3.51Å; D125-R156 IonicContact OD2-NE 3.31Å; D125-R156 PolarHBondContact OD2-NE 3.48Å; D125-R156 IonicContact OD2-NH2 3.43Å; D125-R156 PolarHBondContact OD2-NH2 2.96Å; I154-R156 PolarHBondContact O-N 3.43Å
157	N	39.8	Very low	61.9	Low	69 Å²	69	95.7 Å²	95.7	37%	0.369	51%	0.509	S	S	.	.			trans	-178.8	125.5	168.9	-145	-0.2	0	0	0	110.4	T155 W159 S160	T155-N157 PolarHBondContact O-N 3.39Å; N157-W159 PolarHBondContact O-N 2.93Å; N157-W159 VanDerWaalsContact OD1-CD1 3.26Å; N157-S160 PolarHBondContact O-N 3.11Å; N157-S160 PolarHBondContact O-OG 3.38Å
158	P	44.5	Very low	59.7	Low	106 Å²	106	103.2 Å²	103.2	69%	0.688	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	2.3	160.3	-21.4	33.3	0	0	0	114.2
159	W	44	Very low	57.5	Low	139 Å²	139	108.6 Å²	108.6	53%	0.527	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118.7	5.4	-179	-52.8	82.5	0	0	0	113.7	N157 D161 L162	N157-W159 PolarHBondContact O-N 2.93Å; N157-W159 VanDerWaalsContact OD1-CD1 3.26Å; W159-D161 VanDerWaalsContact C-N 3.28Å; W159-D161 PolarHBondContact O-N 3.46Å; W159-L162 HydrophobicContact CE3-CD1 3.94Å; W159-L162 HydrophobicContact CZ3-CD1 4.23Å; W159-L162 PolarHBondContact O-N 3.3Å; W159-L162 VanDerWaalsContact O-N 3.11Å
160	S	45.9	Very low	55.5	Low	42 Å²	42	106.8 Å²	106.8	29%	0.294	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.4	-15.5	-179.4	51.7	0	0	0	0	114.1	T155 N157 V163	T155-S160 WeakPolarHBondContact CB-OG 3.29Å; T155-S160 PolarHBondContact OG1-OG 3.22Å; N157-S160 PolarHBondContact O-N 3.11Å; N157-S160 PolarHBondContact O-OG 3.38Å; S160-V163 WeakPolarHBondContact O-CG2 3.45Å
161	D	48.3	Very low	53.8	Low	161 Å²	161	103 Å²	103	86%	0.861	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	1.6	168.5	-70.4	-26.8	0	0	0	112.9	W159	W159-D161 VanDerWaalsContact C-N 3.28Å; W159-D161 PolarHBondContact O-N 3.46Å
162	L	46.5	Very low	52	Low	121 Å²	121	98.2 Å²	98.2	63%	0.634	52%	0.519	S	S	*	.			trans	-112	22.9	176.2	-85.6	170	0	0	0	112.9	W159 V164	W159-L162 HydrophobicContact CE3-CD1 3.94Å; W159-L162 HydrophobicContact CZ3-CD1 4.23Å; W159-L162 PolarHBondContact O-N 3.3Å; W159-L162 VanDerWaalsContact O-N 3.11Å; L162-V164 VanDerWaalsContact C-N 3.27Å; L162-V164 PolarHBondContact O-N 3.03Å
163	V	44.3	Very low	50.2	Low	109 Å²	109	99.4 Å²	99.4	66%	0.661	53%	0.526	S	S	*	.			trans	-71.8	84.4	176	-169.4	0	0	0	0	109.3	S160	S160-V163 WeakPolarHBondContact O-CG2 3.45Å
164	V	43.3	Very low	48.7	Very low	126 Å²	126	98.2 Å²	98.2	76%	0.764	52%	0.517	S	S	*	.			trans	-73.7	119.8	152.8	-178.9	0	0	0	0	105.4	L162	L162-V164 VanDerWaalsContact C-N 3.27Å; L162-V164 PolarHBondContact O-N 3.03Å
165	E	40.8	Very low	48.2	Very low	163 Å²	163	100 Å²	100	76%	0.762	52%	0.521	S	S	*	.			trans	-51.5	134.9	178.4	-63	-157.1	152.8	0	0	110.5	T167	E165-T167 PolarHBondContact O-N 2.82Å
166	P	41.8	Very low	47.8	Very low	101 Å²	101	102.9 Å²	102.9	66%	0.656	53%	0.529	S	S	*	.			trans	-66.1	111.5	179.9	-11.4	25.2	0	0	0	109.1
167	T	44	Very low	47.6	Very low	100 Å²	100	96.4 Å²	96.4	61%	0.613	52%	0.516	S	S	*	.			trans	-72.1	153	161.3	57.1	0	0	0	0	108.8	E165 D169 T170	E165-T167 PolarHBondContact O-N 2.82Å; T167-D169 PolarHBondContact O-N 2.79Å; T167-T170 WeakPolarHBondContact O-CG2 3.28Å; T167-T170 PolarHBondContact O-OG1 2.88Å; T167-T170 VanDerWaalsContact O-OG1 3.09Å
168	E	49.9	Very low	47.7	Very low	207 Å²	207	99 Å²	99	97%	0.967	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	4.7	-167.6	-62.4	-170.2	134.3	0	0	116.4
169	D	48.5	Very low	47.6	Very low	114 Å²	114	102.6 Å²	102.6	61%	0.61	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	28.8	-168.4	-121.6	-1.2	0	0	0	113.5	T167	T167-D169 PolarHBondContact O-N 2.79Å
170	T	51.1	Low	47.6	Very low	34 Å²	34	107.5 Å²	107.5	21%	0.209	56%	0.562	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.4	142.6	-166.4	63.4	0	0	0	0	113.2	F6 T167	F6-T170 HydrophobicContact CE1-CG2 3.8Å; F6-T170 HydrophobicContact CE2-CG2 3.88Å; F6-T170 WeakPolarHBondContact CE2-OG1 3.47Å; F6-T170 HydrophobicContact CZ-CG2 3.15Å; T167-T170 WeakPolarHBondContact O-CG2 3.28Å; T167-T170 PolarHBondContact O-OG1 2.88Å; T167-T170 VanDerWaalsContact O-OG1 3.09Å
171	S	55.2	Low	47.8	Very low	7 Å²	7	120.7 Å²	120.7	5%	0.049	61%	0.605	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-142.9	159.3	-169.4	45.1	0	0	0	0	112.2	F6 F7 Y9 N18	F6-S171 CarbonylContact C-O 3.58Å; F6-S171 WeakPolarHBondContact CA-O 2.76Å; F7-S171 WeakPolarHBondContact CD1-O 3.32Å; F7-S171 WeakPolarHBondContact CD1-OG 3.35Å; F7-S171 WeakPolarHBondContact CE1-OG 3.36Å; F7-S171 VanDerWaalsContact CZ-OG 3.23Å; F7-S171 WeakPolarHBondContact CZ-OG 3.38Å; F7-S171 PolarHBondContact N-O 2.99Å; F7-S171 PolarHBondContact O-N 3.35Å; F7-S171 VanDerWaalsContact O-N 3.15Å; F7-S171 PolarHBondContact O-OG 2.62Å; Y9-S171 WeakPolarHBondContact CB-OG 3.38Å; N18-S171 WeakPolarHBondContact OD1-CB 3.35Å
172	F	50.4	Low	47.8	Very low	44 Å²	44	118.7 Å²	118.7	19%	0.193	59%	0.592	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.6	136.6	177.9	-68.4	-95.7	0	0	0	111.1	H5 F6 F19 K22 C25	H5-F172 CarbonylContact O-C 3.57Å; H5-F172 WeakPolarHBondContact O-CA 3.4Å; F6-F172 HydrophobicContact CD2-CE1 4.43Å; F6-F172 HydrophobicContact CD2-CE2 4.41Å; F6-F172 HydrophobicContact CD2-CZ 4.2Å; F19-F172 HydrophobicContact CB-CB 4.43Å; F19-F172 WeakPolarHBondContact CD2-O 3.48Å; F19-F172 PolarHBondContact N-O 2.91Å; F19-F172 PolarHBondContact O-N 3.21Å; K22-F172 HydrophobicContact CB-CD1 4.07Å; K22-F172 HydrophobicContact CB-CE1 3.72Å; K22-F172 HydrophobicContact CB-CE2 4.24Å; K22-F172 HydrophobicContact CB-CG 4.47Å; K22-F172 HydrophobicContact CB-CZ 3.82Å; K22-F172 HydrophobicContact CD-CE1 4.47Å; K22-F172 HydrophobicContact CG-CD1 4.49Å; K22-F172 HydrophobicContact CG-CE1 4.25Å; C25-F172 HydrophobicContact CB-CB 3.89Å
173	V	53.4	Low	47.9	Very low	34 Å²	34	118.5 Å²	118.5	21%	0.206	59%	0.59	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.9	133.1	174.2	153.9	0	0	0	0	109.2	H5 F7 N17 K175	H5-V173 PolarHBondContact N-O 2.83Å; H5-V173 PolarHBondContact O-N 3.5Å; F7-V173 HydrophobicContact CD1-CB 3.6Å; F7-V173 HydrophobicContact CD1-CG2 3.2Å; F7-V173 HydrophobicContact CD2-CG2 4.15Å; F7-V173 HydrophobicContact CE1-CB 3.85Å; F7-V173 HydrophobicContact CE1-CG2 2.99Å; F7-V173 HydrophobicContact CE2-CG2 3.93Å; F7-V173 HydrophobicContact CG-CB 4.24Å; F7-V173 HydrophobicContact CG-CG2 3.8Å; F7-V173 HydrophobicContact CZ-CG2 3.36Å; N17-V173 WeakPolarHBondContact O-CG2 3.14Å; V173-K175 PolarHBondContact O-N 3.03Å
174	K	54.5	Low	48.1	Very low	25 Å²	25	119.1 Å²	119.1	11%	0.109	59%	0.586	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.3	119.1	170.3	-153.2	-176.6	-160.7	-146	0	109.9	D2 E3 N17 C29 Q176	D2-K174 HydrophobicContact CB-CD 3.88Å; D2-K174 HydrophobicContact CB-CG 4.07Å; D2-K174 WeakPolarHBondContact O-CE 3.43Å; D2-K174 IonicContact OD2-NZ 3.18Å; D2-K174 PolarHBondContact OD2-NZ 3.03Å; E3-K174 WeakPolarHBondContact O-CA 3.36Å; N17-K174 PolarHBondContact ND2-O 3.07Å; N17-K174 VanDerWaalsContact OD1-CB 3.31Å; N17-K174 WeakPolarHBondContact OD1-CB 3.28Å; N17-K174 PolarHBondContact OD1-N 3.37Å; C29-K174 HydrophobicContact CB-CD 3.58Å; C29-K174 WeakPolarHBondContact SG-CD 3.46Å; C29-K174 PolarHBondContact SG-NZ 2.84Å; C29-K174 VanDerWaalsContact SG-NZ 3.36Å; K174-Q176 PolarHBondContact O-N 2.82Å
175	K	57.4	Low	48.3	Very low	123 Å²	123	118.6 Å²	118.6	54%	0.535	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.4	112.9	170.2	-76.4	-176.6	-163	163.1	0	108.4	E3 H5 V173	E3-K175 PolarHBondContact O-N 3.4Å; H5-K175 WeakPolarHBondContact CD2-CD 3.11Å; H5-K175 WeakPolarHBondContact CD2-CG 3.4Å; V173-K175 PolarHBondContact O-N 3.03Å
176	Q	48.9	Very low	48.8	Very low	147 Å²	147	115.9 Å²	115.9	69%	0.687	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-73.8	134.3	169.1	-65.8	-179.3	5.8	0	0	108.7	K174	K174-Q176 PolarHBondContact O-N 2.82Å
177	A	46.5	Very low	49.3	Very low	53 Å²	53	116.9 Å²	116.9	44%	0.438	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-59.7	141.8	169.5	0	0	0	0	0	109.3	H179	A177-H179 PolarHBondContact O-N 3.34Å; A177-H179 VanDerWaalsContact O-N 3.16Å
178	P	42.6	Very low	49.7	Very low	123 Å²	123	118.1 Å²	118.1	80%	0.799	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-59	124.4	176.3	23.3	-31.7	0	0	0	109.5	R180	P178-R180 PolarHBondContact O-N 2.75Å
179	H	42.1	Very low	49.6	Very low	182 Å²	182	111.2 Å²	111.2	84%	0.843	52%	0.522	S	S	*	.			trans	-55.8	112	168	-102.1	-80.3	0	0	0	108.2	A177 R181	A177-H179 PolarHBondContact O-N 3.34Å; A177-H179 VanDerWaalsContact O-N 3.16Å; H179-R181 PolarHBondContact O-N 3.32Å
180	R	44.9	Very low	49.7	Very low	241 Å²	241	111 Å²	111	91%	0.909	52%	0.515	S	S	*	.			trans	-65.6	119.9	158.5	-87.5	-171.1	178.7	-161.9	-0.2	106.5	P178	P178-R180 PolarHBondContact O-N 2.75Å
181	R	49.9	Very low	49.6	Very low	319 Å²	319	118 Å²	118	100%	1.204	54%	0.543	S	S	*	.			trans	-56.8	0	166.1	-79	-174.7	179.4	-164.9	0	110.8	H179	H179-R181 PolarHBondContact O-N 3.32Å

Retrieved 181 of 181 residues in 136.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).