A0A5K4F9L0_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F9L0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 172 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	42.5	Very low	42.5	Very low	236 Å²	236	133.2 Å²	133.2	100%	1.163	80%	0.803	S	S	*	*				0	102.6	0	-72.1	174.3	172.8	0	0	106.5	N3	M1-N3 PolarHBondContact O-N 2.77Å
2	S	42.9	Very low	42.4	Very low	120 Å²	120	136.7 Å²	136.7	84%	0.839	80%	0.804	S	S	*	*			trans	-82	112.9	-171.2	-54.7	0	0	0	0	109.3	S4	S2-S4 PolarHBondContact O-N 3.06Å; S2-S4 VanDerWaalsContact O-N 3.11Å
3	N	39.1	Very low	42.3	Very low	149 Å²	149	135.3 Å²	135.3	80%	0.797	80%	0.798	S	S	*	*			trans	-69.9	104.1	175.4	-79	6.7	0	0	0	109.3	M1 N5	M1-N3 PolarHBondContact O-N 2.77Å; N3-N5 PolarHBondContact O-N 3.43Å
4	S	44.7	Very low	42.2	Very low	114 Å²	114	131 Å²	131	80%	0.797	79%	0.785	S	S	*	*			trans	-65.6	100.4	168.8	-60.1	0	0	0	0	109.3	S2 S6	S2-S4 PolarHBondContact O-N 3.06Å; S2-S4 VanDerWaalsContact O-N 3.11Å; S4-S6 VanDerWaalsContact C-N 3.27Å; S4-S6 PolarHBondContact O-N 3.15Å
5	N	43.2	Very low	42.6	Very low	154 Å²	154	126.9 Å²	126.9	82%	0.824	76%	0.763	S	S	*	*			trans	-65.9	86.4	165.7	-82.4	-10.2	0	0	0	108.7	N3 S7	N3-N5 PolarHBondContact O-N 3.43Å; N5-S7 VanDerWaalsContact C-N 3.3Å; N5-S7 PolarHBondContact O-N 3.07Å
6	S	41.2	Very low	42.4	Very low	96 Å²	96	124.8 Å²	124.8	67%	0.671	75%	0.751	S	S	*	*			trans	-75.7	90.5	163.7	72.4	0	0	0	0	107.6	S4 V8	S4-S6 VanDerWaalsContact C-N 3.27Å; S4-S6 PolarHBondContact O-N 3.15Å; S6-V8 PolarHBondContact O-N 2.99Å
7	S	44.4	Very low	42.3	Very low	112 Å²	112	125.5 Å²	125.5	78%	0.783	74%	0.742	S	S	*	*			trans	-63.3	92.6	162.3	56.2	0	0	0	0	107.1	N5 A9	N5-S7 VanDerWaalsContact C-N 3.3Å; N5-S7 PolarHBondContact O-N 3.07Å; S7-A9 PolarHBondContact O-N 3.46Å
8	V	43.8	Very low	42.2	Very low	123 Å²	123	127.8 Å²	127.8	75%	0.745	74%	0.741	S	S	*	*			trans	-64.2	95.8	167.9	-178.8	0	0	0	0	105	S6 S10	S6-V8 PolarHBondContact O-N 2.99Å; V8-S10 VanDerWaalsContact C-N 3.3Å; V8-S10 PolarHBondContact O-N 3.19Å
9	A	40.1	Very low	41.9	Very low	78 Å²	78	128.7 Å²	128.7	65%	0.645	74%	0.742	S	S	*	*			trans	-56.8	103.7	165.5	0	0	0	0	0	105.3	S7 H11	S7-A9 PolarHBondContact O-N 3.46Å; A9-H11 VanDerWaalsContact C-N 3.27Å; A9-H11 PolarHBondContact O-N 3.14Å
10	S	45	Very low	41.8	Very low	108 Å²	108	126.8 Å²	126.8	76%	0.755	73%	0.733	S	S	*	*			trans	-58	98.6	171.6	36.4	0	0	0	0	106.5	V8 Q12	V8-S10 VanDerWaalsContact C-N 3.3Å; V8-S10 PolarHBondContact O-N 3.19Å; S10-Q12 VanDerWaalsContact C-N 3.26Å; S10-Q12 PolarHBondContact O-N 3.4Å
11	H	41.1	Very low	41.9	Very low	175 Å²	175	130.2 Å²	130.2	81%	0.81	74%	0.742	S	S	*	*			trans	-56.5	98.9	167.8	-94.4	-88.1	0	0	0	106.4	A9 T13	A9-H11 VanDerWaalsContact C-N 3.27Å; A9-H11 PolarHBondContact O-N 3.14Å; H11-T13 PolarHBondContact O-N 3.23Å
12	Q	41.4	Very low	41.8	Very low	175 Å²	175	125.8 Å²	125.8	82%	0.818	72%	0.723	S	S	*	*			trans	-71.3	85.2	174.9	-167	173.9	49.7	0	0	106.2	S10 A14	S10-Q12 VanDerWaalsContact C-N 3.26Å; S10-Q12 PolarHBondContact O-N 3.4Å; Q12-A14 PolarHBondContact O-N 3.09Å
13	T	40.3	Very low	41.7	Very low	119 Å²	119	123.4 Å²	123.4	73%	0.73	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-53.5	126.1	173.7	-58.3	0	0	0	0	108.1	H11	H11-T13 PolarHBondContact O-N 3.23Å
14	A	41.9	Very low	41.7	Very low	75 Å²	75	121.6 Å²	121.6	62%	0.62	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-56.9	135.5	178.1	0	0	0	0	0	109.6	Q12 V16	Q12-A14 PolarHBondContact O-N 3.09Å; A14-V16 PolarHBondContact O-N 3.4Å; A14-V16 VanDerWaalsContact O-N 3.16Å
15	P	48.2	Very low	42	Very low	70 Å²	70	122 Å²	122	46%	0.455	69%	0.691	S	S	.	*	P	Polyproline II helix	trans	-61	121.8	179.6	22.1	-30.1	0	0	0	109.7	F17	P15-F17 HydrophobicContact CG-CE2 4.37Å; P15-F17 PolarHBondContact O-N 2.92Å
16	V	38.8	Very low	42.5	Very low	92 Å²	92	123.8 Å²	123.8	56%	0.558	70%	0.696	S	S	*	*			trans	-83.8	110.1	175.3	-180	0	0	0	0	107.4	A14 F18	A14-V16 PolarHBondContact O-N 3.4Å; A14-V16 VanDerWaalsContact O-N 3.16Å; V16-F18 HydrophobicContact CB-CE2 4.08Å; V16-F18 HydrophobicContact CB-CZ 4.47Å; V16-F18 HydrophobicContact CG1-CD2 4.14Å; V16-F18 HydrophobicContact CG1-CE1 4.16Å; V16-F18 HydrophobicContact CG1-CE2 3.64Å; V16-F18 HydrophobicContact CG1-CZ 3.65Å; V16-F18 PolarHBondContact O-N 3.25Å
17	F	40.9	Very low	43.6	Very low	138 Å²	138	121.3 Å²	121.3	61%	0.605	67%	0.674	S	S	*	*			trans	-77.2	106.7	173.1	-67.1	-85.6	0	0	0	109.2	P15 L19 W98	P15-F17 HydrophobicContact CG-CE2 4.37Å; P15-F17 PolarHBondContact O-N 2.92Å; F17-L19 PolarHBondContact O-N 3.36Å; F17-W98 AromaticContact CE1-CH2 3.64Å; F17-W98 HydrophobicContact CE1-CH2 3.64Å; F17-W98 AromaticContact CE1-CZ2 3.37Å; F17-W98 HydrophobicContact CE1-CZ2 3.37Å; F17-W98 AromaticContact CZ-CE2 3.93Å; F17-W98 HydrophobicContact CZ-CH2 4.18Å; F17-W98 AromaticContact CZ-CZ2 3.42Å; F17-W98 HydrophobicContact CZ-CZ2 3.42Å; F17-W98 VanDerWaalsContact CZ-CZ2 3.42Å
18	F	39.5	Very low	44.6	Very low	167 Å²	167	124.1 Å²	124.1	73%	0.732	68%	0.676	S	S	*	*			trans	-82.6	101.7	163.8	-65.3	-81.1	0	0	0	108.1	V16 T20	V16-F18 HydrophobicContact CB-CE2 4.08Å; V16-F18 HydrophobicContact CB-CZ 4.47Å; V16-F18 HydrophobicContact CG1-CD2 4.14Å; V16-F18 HydrophobicContact CG1-CE1 4.16Å; V16-F18 HydrophobicContact CG1-CE2 3.64Å; V16-F18 HydrophobicContact CG1-CZ 3.65Å; V16-F18 PolarHBondContact O-N 3.25Å; F18-T20 VanDerWaalsContact C-N 3.26Å; F18-T20 PolarHBondContact O-N 3.44Å
19	L	36.4	Very low	45.7	Very low	144 Å²	144	119.7 Å²	119.7	75%	0.754	65%	0.648	S	S	*	*			trans	-65.2	92.3	163.6	-75.9	146.8	0	0	0	107.2	F17	F17-L19 PolarHBondContact O-N 3.36Å
20	T	40.6	Very low	47.3	Very low	91 Å²	91	120.2 Å²	120.2	56%	0.558	64%	0.638	S	S	*	*			trans	-61.4	151	164.8	72.1	0	0	0	0	109.1	F18 N22 T23	F18-T20 VanDerWaalsContact C-N 3.26Å; F18-T20 PolarHBondContact O-N 3.44Å; T20-N22 PolarHBondContact O-N 2.9Å; T20-T23 VanDerWaalsContact CA-OG1 3.3Å; T20-T23 WeakPolarHBondContact CA-OG1 3.34Å; T20-T23 WeakPolarHBondContact CB-OG1 3.49Å; T20-T23 PolarHBondContact N-OG1 3.48Å; T20-T23 WeakPolarHBondContact O-CB 3.41Å; T20-T23 PolarHBondContact O-N 3.12Å; T20-T23 PolarHBondContact O-OG1 3.42Å; T20-T23 PolarHBondContact OG1-OG1 3.21Å
21	E	44.2	Very low	48.7	Very low	198 Å²	198	118.3 Å²	118.3	93%	0.925	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.2	-19.5	-178.9	-74.5	171.7	150.3	0	0	113.7
22	N	40.6	Very low	50.4	Low	144 Å²	144	114 Å²	114	77%	0.77	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	8.4	178.2	-58	-28.7	0	0	0	113.7	T20 T24	T20-N22 PolarHBondContact O-N 2.9Å; N22-T24 PolarHBondContact O-N 3.49Å
23	T	39.6	Very low	52.3	Low	70 Å²	70	110.5 Å²	110.5	43%	0.429	57%	0.574	S	S	.	*			trans	-80.8	56.7	177.3	-25.1	0	0	0	0	110	T20	T20-T23 VanDerWaalsContact CA-OG1 3.3Å; T20-T23 WeakPolarHBondContact CA-OG1 3.34Å; T20-T23 WeakPolarHBondContact CB-OG1 3.49Å; T20-T23 PolarHBondContact N-OG1 3.48Å; T20-T23 WeakPolarHBondContact O-CB 3.41Å; T20-T23 PolarHBondContact O-N 3.12Å; T20-T23 PolarHBondContact O-OG1 3.42Å; T20-T23 PolarHBondContact OG1-OG1 3.21Å
24	T	40.6	Very low	54.4	Low	111 Å²	111	105.3 Å²	105.3	68%	0.681	54%	0.541	S	S	*	.			trans	-68.5	142.8	165.4	-32.2	0	0	0	0	107.2	N22	N22-T24 PolarHBondContact O-N 3.49Å
25	L	50.2	Low	56.5	Low	123 Å²	123	105.2 Å²	105.2	64%	0.644	53%	0.53	S	S	*	.			trans	93.7	71.8	162.6	-47.3	159.6	0	0	0	115.1	F27	L25-F27 WeakPolarHBondContact O-CD1 3.39Å; L25-F27 PolarHBondContact O-N 3.21Å
26	M	54.8	Low	58.4	Low	190 Å²	190	106.8 Å²	106.8	94%	0.936	53%	0.532	S	S	*	.				-55.9	95.3	125.9	-91.2	-176.7	-75.2	0	0	106.4
27	F	62.8	Low	60.8	Low	44 Å²	44	103 Å²	103	19%	0.193	51%	0.508	C	S	.	.			trans	-82.5	123.7	172.4	54.4	-93.5	0	0	0	108.8	L25 L29 F80 Q89	L25-F27 WeakPolarHBondContact O-CD1 3.39Å; L25-F27 PolarHBondContact O-N 3.21Å; F27-L29 HydrophobicContact CD2-CB 4.09Å; F27-L29 HydrophobicContact CE2-CB 4.41Å; F27-L29 PolarHBondContact O-N 3.22Å; F27-L29 VanDerWaalsContact O-N 3.16Å; F27-F80 HydrophobicContact CE2-CB 4.01Å; F27-F80 HydrophobicContact CE2-CD1 4.1Å; F27-F80 AromaticContact CE2-CD2 3.79Å; F27-F80 HydrophobicContact CE2-CD2 3.79Å; F27-F80 HydrophobicContact CE2-CE1 4.49Å; F27-F80 HydrophobicContact CE2-CE2 4.21Å; F27-F80 AromaticContact CE2-CG 3.72Å; F27-F80 HydrophobicContact CE2-CG 3.72Å; F27-F80 HydrophobicContact CZ-CB 4.3Å; F27-F80 HydrophobicContact CZ-CD1 4.47Å; F27-F80 AromaticContact CZ-CD2 3.37Å; F27-F80 HydrophobicContact CZ-CD2 3.37Å; F27-F80 AromaticContact CZ-CE2 3.64Å; F27-F80 HydrophobicContact CZ-CE2 3.64Å; F27-F80 AromaticContact CZ-CG 3.82Å; F27-F80 HydrophobicContact CZ-CG 3.82Å; F27-F80 HydrophobicContact CZ-CZ 4.3Å; F27-Q89 HydrophobicContact CD1-CB 4.1Å; F27-Q89 HydrophobicContact CD2-CB 4.02Å; F27-Q89 HydrophobicContact CD2-CG 4.31Å; F27-Q89 HydrophobicContact CE1-CB 3.73Å; F27-Q89 HydrophobicContact CE2-CB 3.64Å; F27-Q89 HydrophobicContact CE2-CG 4.36Å; F27-Q89 HydrophobicContact CG-CB 4.24Å; F27-Q89 HydrophobicContact CZ-CB 3.48Å; F27-Q89 VanDerWaalsContact CZ-CB 3.48Å
28	M	65.4	Low	63.1	Low	171 Å²	171	99.2 Å²	99.2	84%	0.842	49%	0.49	S	S	*	.			trans	-79.6	97	170.6	-65.7	-168.5	-52.4	0	0	108.2
29	L	68.2	Low	65.6	Low	30 Å²	30	91.4 Å²	91.4	16%	0.157	46%	0.456	C	S	.	.			trans	-93	115.6	170	-169.4	68.1	0	0	0	109.5	F27 Y31 L34 F80 A82	F27-L29 HydrophobicContact CD2-CB 4.09Å; F27-L29 HydrophobicContact CE2-CB 4.41Å; F27-L29 PolarHBondContact O-N 3.22Å; F27-L29 VanDerWaalsContact O-N 3.16Å; L29-Y31 PolarHBondContact O-N 3.04Å; L29-L34 HydrophobicContact CD2-CB 4.2Å; L29-L34 HydrophobicContact CD2-CD1 3.48Å; L29-L34 VanDerWaalsContact CD2-CD1 3.48Å; L29-L34 HydrophobicContact CD2-CG 4.41Å; L29-F80 HydrophobicContact CD2-CB 3.93Å; L29-F80 HydrophobicContact CD2-CD1 4.37Å; L29-A82 HydrophobicContact CD1-CB 3.5Å; L29-A82 VanDerWaalsContact CD1-CB 3.5Å; L29-A82 HydrophobicContact CD2-CB 3.85Å; L29-A82 HydrophobicContact CG-CB 4.14Å
30	H	73.2	Confident	67.9	Low	90 Å²	90	85.1 Å²	85.1	42%	0.417	42%	0.423	S	S	.	.			trans	-64.8	133.5	177.2	-68.6	-89.1	0	0	0	110.7	H32 R33 L34	H30-H32 VanDerWaalsContact CB-CE1 3.46Å; H30-H32 WeakPolarHBondContact CB-CE1 3.37Å; H30-H32 AromaticContact CG-CE1 3.9Å; H30-H32 PolarHBondContact O-N 3.35Å; H30-H32 VanDerWaalsContact O-N 3.09Å; H30-R33 HydrophobicContact CB-CG 4.26Å; H30-R33 WeakPolarHBondContact O-CB 3.43Å; H30-R33 PolarHBondContact O-N 3.36Å; H30-L34 PolarHBondContact O-N 3.14Å
31	Y	74.8	Confident	70	Confident	67 Å²	67	83.1 Å²	83.1	26%	0.263	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-28.2	-177.1	-65.2	-65.1	0	0	0	114.5	L29 R33 L34 V106 A109 Q110 L164	L29-Y31 PolarHBondContact O-N 3.04Å; Y31-R33 VanDerWaalsContact C-N 3.26Å; Y31-R33 PolarHBondContact O-N 3.34Å; Y31-L34 PolarHBondContact O-N 3.11Å; Y31-V106 HydrophobicContact CE1-CG1 4.37Å; Y31-A109 HydrophobicContact CD1-CB 4.49Å; Y31-A109 HydrophobicContact CE1-CB 3.63Å; Y31-A109 HydrophobicContact CE2-CB 4.28Å; Y31-A109 VanDerWaalsContact CZ-CB 3.5Å; Y31-A109 WeakPolarHBondContact OH-CB 3.38Å; Y31-Q110 HydrophobicContact CD1-CB 4.1Å; Y31-L164 HydrophobicContact CD2-CD2 3.55Å; Y31-L164 HydrophobicContact CE2-CD2 3.47Å; Y31-L164 VanDerWaalsContact CE2-CD2 3.47Å
32	H	76.5	Confident	71.2	Confident	86 Å²	86	75.4 Å²	75.4	40%	0.398	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.6	176.6	71.1	-97.2	0	0	0	113.5	H30 F113 P168	H30-H32 VanDerWaalsContact CB-CE1 3.46Å; H30-H32 WeakPolarHBondContact CB-CE1 3.37Å; H30-H32 AromaticContact CG-CE1 3.9Å; H30-H32 PolarHBondContact O-N 3.35Å; H30-H32 VanDerWaalsContact O-N 3.09Å; H32-F113 HydrophobicContact CB-CE1 3.64Å; H32-F113 HydrophobicContact CB-CZ 3.88Å; H32-P168 HydrophobicContact CB-CG 4.1Å; H32-P168 VanDerWaalsContact CD2-CG 3.41Å; H32-P168 WeakPolarHBondContact CD2-CG 2.95Å
33	R	80.2	Confident	72.3	Confident	101 Å²	101	70.7 Å²	70.7	38%	0.381	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-20.3	178.6	-59.3	177	64.6	-179.7	0.5	112.1	H30 Y31 D35 A82 D83	H30-R33 HydrophobicContact CB-CG 4.26Å; H30-R33 WeakPolarHBondContact O-CB 3.43Å; H30-R33 PolarHBondContact O-N 3.36Å; Y31-R33 VanDerWaalsContact C-N 3.26Å; Y31-R33 PolarHBondContact O-N 3.34Å; R33-D35 PolarHBondContact O-N 3.25Å; R33-A82 HydrophobicContact CB-CB 4.2Å; R33-A82 CarbonylContact O-C 3.48Å; R33-A82 WeakPolarHBondContact O-CA 3.26Å; R33-A82 WeakPolarHBondContact O-CB 3.41Å; R33-D83 IonicContact CZ-OD1 3.44Å; R33-D83 IonicContact CZ-OD2 3.3Å; R33-D83 VanDerWaalsContact CZ-OD2 3.3Å; R33-D83 IonicContact NE-OD1 2.72Å; R33-D83 PolarHBondContact NE-OD1 2.96Å; R33-D83 IonicContact NE-OD2 3.25Å; R33-D83 PolarHBondContact NE-OD2 2.87Å; R33-D83 VanDerWaalsContact NH2-CG 3.31Å; R33-D83 IonicContact NH2-OD1 3.35Å; R33-D83 PolarHBondContact NH2-OD1 3.29Å; R33-D83 IonicContact NH2-OD2 2.64Å; R33-D83 PolarHBondContact NH2-OD2 3.38Å; R33-D83 PolarHBondContact O-N 3.25Å
34	L	84.9	Confident	72.9	Confident	10 Å²	10	75.5 Å²	75.5	5%	0.052	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	115.4	-176.3	-178.4	70	0	0	0	110.2	L29 H30 Y31 Q36 I37 F80 V106 Q110	L29-L34 HydrophobicContact CD2-CB 4.2Å; L29-L34 HydrophobicContact CD2-CD1 3.48Å; L29-L34 VanDerWaalsContact CD2-CD1 3.48Å; L29-L34 HydrophobicContact CD2-CG 4.41Å; H30-L34 PolarHBondContact O-N 3.14Å; Y31-L34 PolarHBondContact O-N 3.11Å; L34-Q36 WeakPolarHBondContact CD1-O 3.41Å; L34-I37 HydrophobicContact CD1-CB 4.46Å; L34-I37 HydrophobicContact CD2-CG2 4.4Å; L34-F80 HydrophobicContact CD1-CB 4.26Å; L34-F80 HydrophobicContact CD1-CD1 4.21Å; L34-V106 HydrophobicContact CD2-CG1 3.53Å; L34-Q110 PolarHBondContact O-NE2 3.04Å
35	D	85.8	Confident	73.4	Confident	72 Å²	72	74.4 Å²	74.4	39%	0.385	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-49.1	175.5	-47.7	-50.5	0	0	0	110.3	R33 S81 A82 D83 C84 G85	R33-D35 PolarHBondContact O-N 3.25Å; D35-S81 PolarHBondContact N-O 3.48Å; D35-A82 WeakPolarHBondContact OD2-CA 3.38Å; D35-A82 PolarHBondContact OD2-N 2.93Å; D35-D83 PolarHBondContact OD2-N 3.05Å; D35-C84 VanDerWaalsContact CG-N 3.33Å; D35-C84 PolarHBondContact OD1-N 3.12Å; D35-C84 VanDerWaalsContact OD2-CA 3.28Å; D35-C84 WeakPolarHBondContact OD2-CA 3.38Å; D35-C84 PolarHBondContact OD2-N 3.09Å; D35-G85 PolarHBondContact OD2-N 3.29Å
36	Q	88.5	Confident	73.3	Confident	104 Å²	104	76.5 Å²	76.5	49%	0.486	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	150.9	-176.2	59	177	-21.6	0	0	111.7	L34 Y38 S81	L34-Q36 WeakPolarHBondContact CD1-O 3.41Å; Q36-Y38 HydrophobicContact CG-CD1 4.4Å; Q36-Y38 HydrophobicContact CG-CE1 4.48Å; Q36-S81 PolarHBondContact N-O 3.41Å; Q36-S81 PolarHBondContact O-N 3.11Å
37	I	89.2	Confident	73	Confident	11 Å²	11	71.2 Å²	71.2	6%	0.056	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	128.8	172.2	-177.6	173.8	0	0	0	109.2	L34 V78 V79 F80 T103 V106 R107	L34-I37 HydrophobicContact CD1-CB 4.46Å; L34-I37 HydrophobicContact CD2-CG2 4.4Å; I37-V78 HydrophobicContact CD1-CG1 3.73Å; I37-V78 HydrophobicContact CG1-CG1 3.71Å; I37-V79 WeakPolarHBondContact CA-O 3.41Å; I37-F80 HydrophobicContact CD1-CD1 3.73Å; I37-F80 HydrophobicContact CD1-CE1 3.34Å; I37-F80 HydrophobicContact CD1-CE2 4.48Å; I37-F80 HydrophobicContact CD1-CG 4.46Å; I37-F80 HydrophobicContact CD1-CZ 3.76Å; I37-F80 HydrophobicContact CG1-CD1 4.2Å; I37-F80 HydrophobicContact CG1-CE1 4.24Å; I37-T103 HydrophobicContact CG1-CG2 4.15Å; I37-T103 HydrophobicContact CG2-CG2 4.16Å; I37-V106 HydrophobicContact CD1-CB 3.68Å; I37-V106 HydrophobicContact CD1-CG1 3.73Å; I37-V106 HydrophobicContact CD1-CG2 3.93Å; I37-V106 HydrophobicContact CG2-CG1 4.33Å; I37-R107 HydrophobicContact CG2-CG 3.63Å
38	Y	89.8	Confident	72.5	Confident	60 Å²	60	73.8 Å²	73.8	24%	0.235	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	154.7	-178.8	61.7	-89.9	0	0	0	112	Q36 M40 V79	Q36-Y38 HydrophobicContact CG-CD1 4.4Å; Q36-Y38 HydrophobicContact CG-CE1 4.48Å; Y38-M40 HydrophobicContact CD2-CB 4.48Å; Y38-M40 HydrophobicContact CE2-CB 4.33Å; Y38-M40 HydrophobicContact CE2-SD 4.5Å; Y38-V79 HydrophobicContact CD1-CB 4.43Å; Y38-V79 HydrophobicContact CD2-CB 4.25Å; Y38-V79 HydrophobicContact CD2-CG2 4.41Å; Y38-V79 HydrophobicContact CE1-CB 3.97Å; Y38-V79 HydrophobicContact CE1-CG1 4.01Å; Y38-V79 HydrophobicContact CE2-CB 3.78Å; Y38-V79 HydrophobicContact CE2-CG1 4.35Å; Y38-V79 HydrophobicContact CE2-CG2 3.81Å; Y38-V79 PolarHBondContact N-O 3.33Å; Y38-V79 VanDerWaalsContact N-O 3.14Å; Y38-V79 PolarHBondContact O-N 3.34Å
39	V	90.5	Very high	72.4	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.012	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	138.6	174.6	-177.3	0	0	0	0	108.8	S50 V51 V76 Y77 V78 L96 G99 L100 T103	V39-S50 WeakPolarHBondContact O-CA 3.37Å; V39-V51 HydrophobicContact CB-CB 4.35Å; V39-V51 PolarHBondContact O-N 2.85Å; V39-V76 HydrophobicContact CG1-CG1 3.8Å; V39-Y77 CarbonylContact C-O 3.58Å; V39-Y77 WeakPolarHBondContact CA-O 3.27Å; V39-V78 HydrophobicContact CG2-CG2 4.34Å; V39-L96 HydrophobicContact CG1-CD1 3.77Å; V39-G99 WeakPolarHBondContact CG2-O 3.45Å; V39-L100 HydrophobicContact CB-CD2 4.47Å; V39-L100 HydrophobicContact CG2-CD2 3.91Å; V39-L100 HydrophobicContact CG2-CG 4.32Å; V39-T103 WeakPolarHBondContact CG2-OG1 3.4Å
40	M	85.7	Confident	72.2	Confident	13 Å²	13	71.7 Å²	71.7	6%	0.064	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.8	-178.5	-171.7	176	66.7	0	0	108.9	Y38 L48 S49 Y77 V79	Y38-M40 HydrophobicContact CD2-CB 4.48Å; Y38-M40 HydrophobicContact CE2-CB 4.33Å; Y38-M40 HydrophobicContact CE2-SD 4.5Å; M40-L48 HydrophobicContact CE-CD2 3.15Å; M40-L48 HydrophobicContact CE-CG 4.46Å; M40-L48 HydrophobicContact CG-CB 3.78Å; M40-L48 HydrophobicContact CG-CD2 3.9Å; M40-L48 HydrophobicContact CG-CG 4.43Å; M40-L48 HydrophobicContact SD-CB 3.64Å; M40-L48 HydrophobicContact SD-CD2 3.26Å; M40-L48 WeakPolarHBondContact SD-CD2 3.41Å; M40-L48 HydrophobicContact SD-CG 4.06Å; M40-S49 WeakPolarHBondContact CA-O 3.34Å; M40-Y77 HydrophobicContact CE-CD2 4.15Å; M40-Y77 HydrophobicContact CE-CG 4.15Å; M40-Y77 PolarHBondContact N-O 2.9Å; M40-Y77 PolarHBondContact O-N 3.13Å; M40-V79 HydrophobicContact CB-CG2 4.04Å; M40-V79 HydrophobicContact CE-CG2 3.76Å; M40-V79 HydrophobicContact SD-CG2 4.02Å
41	L	84.1	Confident	71.6	Confident	49 Å²	49	68.6 Å²	68.6	26%	0.257	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.5	173.6	-73.5	166.3	0	0	0	108.8	S43 S49 V51 V76 L96	L41-S43 PolarHBondContact O-N 2.99Å; L41-S49 PolarHBondContact N-O 3Å; L41-S49 PolarHBondContact O-N 2.81Å; L41-V51 HydrophobicContact CB-CG2 4.34Å; L41-V51 HydrophobicContact CD1-CG2 3.24Å; L41-V51 HydrophobicContact CG-CG2 3.64Å; L41-V76 HydrophobicContact CD2-CG2 3.93Å; L41-L96 HydrophobicContact CD2-CD1 4.23Å
42	S	70.5	Confident	70.7	Confident	36 Å²	36	68.5 Å²	68.5	25%	0.252	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	114.3	165.1	-165.5	0	0	0	0	108.7	P74 P75	S42-P74 WeakPolarHBondContact O-CB 3.21Å; S42-P75 PolarHBondContact N-O 3.45Å
43	S	62.4	Low	69.7	Low	44 Å²	44	67.1 Å²	67.1	31%	0.308	38%	0.376	S	S	.	.			trans	-75.9	161.5	161	50.4	0	0	0	0	110.2	L41 T45 T47	L41-S43 PolarHBondContact O-N 2.99Å; S43-T45 CarbonylContact C-O 3.6Å; S43-T45 CarbonylContact O-C 3.51Å; S43-T45 PolarHBondContact O-N 3.2Å; S43-T45 PolarHBondContact OG-O 3.42Å; S43-T45 PolarHBondContact OG-OG1 2.87Å; S43-T45 VanDerWaalsContact OG-OG1 3.09Å; S43-T47 PolarHBondContact OG-O 2.91Å; S43-T47 PolarHBondContact OG-OG1 3.48Å; S43-T47 VanDerWaalsContact OG-OG1 3.12Å
44	N	53.4	Low	68.2	Low	172 Å²	172	66.8 Å²	66.8	92%	0.92	39%	0.389	S	S	*	.	S	Bend	trans	-62.1	-17.1	173.9	-90	10	0	0	0	113.3
45	T	49.8	Very low	66.4	Low	88 Å²	88	69.8 Å²	69.8	54%	0.54	41%	0.408	S	S	.	.	S	Bend	trans	-85.1	136.1	163	52	0	0	0	0	107.5	S43 T47	S43-T45 CarbonylContact C-O 3.6Å; S43-T45 CarbonylContact O-C 3.51Å; S43-T45 PolarHBondContact O-N 3.2Å; S43-T45 PolarHBondContact OG-O 3.42Å; S43-T45 PolarHBondContact OG-OG1 2.87Å; S43-T45 VanDerWaalsContact OG-OG1 3.09Å; T45-T47 PolarHBondContact O-N 3.37Å; T45-T47 PolarHBondContact O-OG1 3.07Å; T45-T47 PolarHBondContact OG1-OG1 3.38Å
46	N	48.5	Very low	64.7	Low	166 Å²	166	71.4 Å²	71.4	89%	0.888	42%	0.415	S	S	*	.	S	Bend	trans	-54.1	18	179	-70.1	-36.6	0	0	0	116.2
47	T	48	Very low	62.4	Low	79 Å²	79	73.7 Å²	73.7	49%	0.485	43%	0.431	S	S	.	.			trans	-97.1	111	177.4	52.2	0	0	0	0	109.3	S43 T45	S43-T47 PolarHBondContact OG-O 2.91Å; S43-T47 PolarHBondContact OG-OG1 3.48Å; S43-T47 VanDerWaalsContact OG-OG1 3.12Å; T45-T47 PolarHBondContact O-N 3.37Å; T45-T47 PolarHBondContact O-OG1 3.07Å; T45-T47 PolarHBondContact OG1-OG1 3.38Å
48	L	54.1	Low	60	Low	98 Å²	98	77 Å²	77	51%	0.513	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	129.3	174.1	-63.8	98.2	0	0	0	109.6	M40	M40-L48 HydrophobicContact CE-CD2 3.15Å; M40-L48 HydrophobicContact CE-CG 4.46Å; M40-L48 HydrophobicContact CG-CB 3.78Å; M40-L48 HydrophobicContact CG-CD2 3.9Å; M40-L48 HydrophobicContact CG-CG 4.43Å; M40-L48 HydrophobicContact SD-CB 3.64Å; M40-L48 HydrophobicContact SD-CD2 3.26Å; M40-L48 WeakPolarHBondContact SD-CD2 3.41Å; M40-L48 HydrophobicContact SD-CG 4.06Å
49	S	61.4	Low	57.6	Low	65 Å²	65	80.1 Å²	80.1	46%	0.455	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.9	179.8	-62.9	0	0	0	0	110.9	M40 L41	M40-S49 WeakPolarHBondContact CA-O 3.34Å; L41-S49 PolarHBondContact N-O 3Å; L41-S49 PolarHBondContact O-N 2.81Å
50	S	64.1	Low	55.3	Low	93 Å²	93	85.5 Å²	85.5	65%	0.65	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	133.6	172.8	58.3	0	0	0	0	110.1	V39	V39-S50 WeakPolarHBondContact O-CA 3.37Å
51	V	61.1	Low	52.9	Low	25 Å²	25	90.4 Å²	90.4	15%	0.152	54%	0.544	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	114.4	174.6	-177.8	0	0	0	0	108.3	V39 L41	V39-V51 HydrophobicContact CB-CB 4.35Å; V39-V51 PolarHBondContact O-N 2.85Å; L41-V51 HydrophobicContact CB-CG2 4.34Å; L41-V51 HydrophobicContact CD1-CG2 3.24Å; L41-V51 HydrophobicContact CG-CG2 3.64Å
52	S	55.9	Low	51	Low	64 Å²	64	94.8 Å²	94.8	45%	0.448	57%	0.567	S	S	.	*			trans	-78.6	141.9	167	-160.4	0	0	0	0	109.4	S54 T55	S52-S54 PolarHBondContact O-N 3.31Å; S52-S54 PolarHBondContact OG-OG 3.05Å; S52-T55 PolarHBondContact O-N 3Å; S52-T55 PolarHBondContact O-OG1 3.26Å
53	T	55.2	Low	49.3	Very low	58 Å²	58	98.9 Å²	98.9	36%	0.356	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-58	-19.8	179	43.4	0	0	0	0	112.9	T55 I56 L100	T53-T55 VanDerWaalsContact C-N 3.31Å; T53-T55 PolarHBondContact O-N 2.95Å; T53-I56 WeakPolarHBondContact O-CD1 3.41Å; T53-L100 HydrophobicContact CG2-CD2 4.04Å
54	S	48.3	Very low	48.1	Very low	93 Å²	93	102.3 Å²	102.3	65%	0.65	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-72.2	-18.3	176.5	54.9	0	0	0	0	114.4	S52 I56	S52-S54 PolarHBondContact O-N 3.31Å; S52-S54 PolarHBondContact OG-OG 3.05Å; S54-I56 VanDerWaalsContact C-N 3.29Å; S54-I56 PolarHBondContact O-N 3.43Å
55	T	47.4	Very low	47.2	Very low	74 Å²	74	99.7 Å²	99.7	45%	0.454	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-83.6	-2.4	-171.5	-44.4	0	0	0	0	113.3	S52 T53 N57 S58	S52-T55 PolarHBondContact O-N 3Å; S52-T55 PolarHBondContact O-OG1 3.26Å; T53-T55 VanDerWaalsContact C-N 3.31Å; T53-T55 PolarHBondContact O-N 2.95Å; T55-N57 PolarHBondContact O-N 2.92Å; T55-N57 VanDerWaalsContact O-N 3.13Å; T55-S58 PolarHBondContact O-N 3.11Å; T55-S58 VanDerWaalsContact O-N 3.17Å
56	I	50.5	Low	46.5	Very low	105 Å²	105	101.8 Å²	101.8	54%	0.538	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-65.9	-19.2	-173.1	-60.2	169.2	0	0	0	113	T53 S54 L100	T53-I56 WeakPolarHBondContact O-CD1 3.41Å; S54-I56 VanDerWaalsContact C-N 3.29Å; S54-I56 PolarHBondContact O-N 3.43Å; I56-L100 HydrophobicContact CD1-CD1 3.63Å; I56-L100 HydrophobicContact CD1-CD2 4.39Å; I56-L100 HydrophobicContact CG1-CD1 4.15Å
57	N	40	Very low	45.7	Very low	152 Å²	152	99.5 Å²	99.5	81%	0.813	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-83.2	-10.8	179	-70.6	8.4	0	0	0	114.2	T55 T59	T55-N57 PolarHBondContact O-N 2.92Å; T55-N57 VanDerWaalsContact O-N 3.13Å; N57-T59 PolarHBondContact O-N 3.13Å
58	S	38.5	Very low	45.3	Very low	82 Å²	82	101.8 Å²	101.8	57%	0.573	63%	0.626	S	S	*	*	S	Bend	trans	-92	95.8	174.6	-65.1	0	0	0	0	108	T55 T60	T55-S58 PolarHBondContact O-N 3.11Å; T55-S58 VanDerWaalsContact O-N 3.17Å; S58-T60 PolarHBondContact O-N 3.33Å; S58-T60 PolarHBondContact O-OG1 3.18Å
59	T	39.9	Very low	44.6	Very low	125 Å²	125	101.5 Å²	101.5	77%	0.767	63%	0.63	S	S	*	*			trans	-54.5	91.8	162.5	-35.5	0	0	0	0	107.3	N57 T61	N57-T59 PolarHBondContact O-N 3.13Å; T59-T61 PolarHBondContact O-N 3.39Å
60	T	42.3	Very low	43.7	Very low	114 Å²	114	103.3 Å²	103.3	70%	0.699	64%	0.64	S	S	*	*			trans	-71.1	91.3	172.3	-40.6	0	0	0	0	105.5	S58 I62	S58-T60 PolarHBondContact O-N 3.33Å; S58-T60 PolarHBondContact O-OG1 3.18Å; T60-I62 VanDerWaalsContact C-N 3.27Å; T60-I62 PolarHBondContact O-N 3.24Å
61	T	35.5	Very low	42.8	Very low	117 Å²	117	105.7 Å²	105.7	72%	0.718	65%	0.651	S	S	*	*			trans	-61.2	94.1	170.6	-48.4	0	0	0	0	106.8	T59 T63	T59-T61 PolarHBondContact O-N 3.39Å; T61-T63 VanDerWaalsContact C-N 3.33Å; T61-T63 PolarHBondContact O-N 3Å
62	I	43.9	Very low	42.5	Very low	141 Å²	141	109.8 Å²	109.8	72%	0.723	68%	0.676	S	S	*	*			trans	-72.3	97.3	173.9	-56.6	174.6	0	0	0	105.7	T60 S64	T60-I62 VanDerWaalsContact C-N 3.27Å; T60-I62 PolarHBondContact O-N 3.24Å; I62-S64 PolarHBondContact O-N 3.45Å; I62-S64 PolarHBondContact O-OG 2.86Å
63	T	35.7	Very low	42.8	Very low	121 Å²	121	112 Å²	112	74%	0.742	68%	0.683	S	S	*	*			trans	-55.4	112.4	177.2	-32.8	0	0	0	0	108.8	T61 T65	T61-T63 VanDerWaalsContact C-N 3.33Å; T61-T63 PolarHBondContact O-N 3Å; T63-T65 PolarHBondContact O-N 3.46Å
64	S	36	Very low	43.6	Very low	116 Å²	116	112.3 Å²	112.3	81%	0.811	69%	0.686	S	S	*	*			trans	-83.1	94.9	-167.7	-24.8	0	0	0	0	109.6	I62 T66	I62-S64 PolarHBondContact O-N 3.45Å; I62-S64 PolarHBondContact O-OG 2.86Å; S64-T66 PolarHBondContact O-N 3.36Å
65	T	34.7	Very low	45.1	Very low	117 Å²	117	109.7 Å²	109.7	72%	0.718	67%	0.667	S	S	*	*			trans	-89.3	102.1	170.6	51.8	0	0	0	0	110.3	T63 T67	T63-T65 PolarHBondContact O-N 3.46Å; T65-T67 PolarHBondContact O-N 2.85Å
66	T	35.6	Very low	46.9	Very low	132 Å²	132	106.4 Å²	106.4	81%	0.81	65%	0.647	S	S	*	*	S	Bend	trans	29.8	77.9	145.2	56.4	0	0	0	0	118.5	S64	S64-T66 PolarHBondContact O-N 3.36Å
67	T	32.2	Very low	48.7	Very low	119 Å²	119	104.2 Å²	104.2	73%	0.73	63%	0.632	S	S	*	*			trans	177.8	129.7	142	12.1	0	0	0	0	105.5	T65 P69	T65-T67 PolarHBondContact O-N 2.85Å; T67-P69 WeakPolarHBondContact O-CD 3.39Å
68	P	38	Very low	51	Low	127 Å²	127	97 Å²	97	83%	0.825	59%	0.593	S	S	*	*			trans	-71.8	103.6	-175.4	28.5	-29.6	0	0	0	108.2
69	P	40.5	Very low	53.4	Low	92 Å²	92	93.1 Å²	93.1	60%	0.597	57%	0.566	S	S	*	*			trans	-73	152.6	173.3	1.1	20.9	0	0	0	106.3	T67 T71	T67-P69 WeakPolarHBondContact O-CD 3.39Å; P69-T71 PolarHBondContact O-N 3.23Å
70	P	42.7	Very low	55.7	Low	102 Å²	102	88 Å²	88	66%	0.662	53%	0.533	S	S	*	.			trans	-48.7	127.6	168.4	23	-32.1	0	0	0	107.4	T72	P70-T72 PolarHBondContact O-N 2.91Å; P70-T72 PolarHBondContact O-OG1 2.88Å
71	T	44.2	Very low	57.8	Low	144 Å²	144	82.6 Å²	82.6	88%	0.883	50%	0.501	S	S	*	.			trans	-69.4	33	-173.7	54.7	0	0	0	0	112.3	P69 N73	P69-T71 PolarHBondContact O-N 3.23Å; T71-N73 PolarHBondContact O-N 3.48Å
72	T	55.2	Low	60.2	Low	110 Å²	110	77.1 Å²	77.1	68%	0.675	47%	0.467	S	S	*	.			trans	-74.9	105.9	169.7	51.5	0	0	0	0	106.5	P70	P70-T72 PolarHBondContact O-N 2.91Å; P70-T72 PolarHBondContact O-OG1 2.88Å
73	N	62.5	Low	62	Low	110 Å²	110	72.5 Å²	72.5	59%	0.588	44%	0.443	S	S	*	.			trans	-44	141.3	168.5	-68.8	-52.1	0	0	0	109.6	T71	T71-N73 PolarHBondContact O-N 3.48Å
74	P	72	Confident	64.3	Low	65 Å²	65	72.6 Å²	72.6	42%	0.422	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-54.4	139.4	177.5	23.6	-33.2	0	0	0	109.2	S42 V76	S42-P74 WeakPolarHBondContact O-CB 3.21Å; P74-V76 PolarHBondContact O-N 3.39Å
75	P	80.4	Confident	66.3	Low	39 Å²	39	68.5 Å²	68.5	25%	0.253	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-64.4	130.3	-175.7	27.1	-33.2	0	0	0	109.8	S42 Y77	S42-P75 PolarHBondContact N-O 3.45Å; P75-Y77 HydrophobicContact CB-CE2 3.67Å; P75-Y77 HydrophobicContact CG-CE2 3.97Å
76	V	84.3	Confident	68.4	Low	5 Å²	5	68.8 Å²	68.8	3%	0.03	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	135.6	177.9	-179.2	0	0	0	0	107.8	V39 L41 P74 R92 C93 L96	V39-V76 HydrophobicContact CG1-CG1 3.8Å; L41-V76 HydrophobicContact CD2-CG2 3.93Å; P74-V76 PolarHBondContact O-N 3.39Å; V76-R92 CarbonylContact O-C 3.37Å; V76-C93 HydrophobicContact CB-CB 3.85Å; V76-C93 HydrophobicContact CG1-CB 3.82Å; V76-C93 PolarHBondContact O-N 2.9Å; V76-L96 HydrophobicContact CG1-CD1 4.33Å; V76-L96 HydrophobicContact CG2-CB 4.18Å
77	Y	88.1	Confident	70.5	Confident	58 Å²	58	63.8 Å²	63.8	23%	0.227	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.6	175	-60.2	-86.9	0	0	0	110.1	V39 M40 P75 L91 R92	V39-Y77 CarbonylContact C-O 3.58Å; V39-Y77 WeakPolarHBondContact CA-O 3.27Å; M40-Y77 HydrophobicContact CE-CD2 4.15Å; M40-Y77 HydrophobicContact CE-CG 4.15Å; M40-Y77 PolarHBondContact N-O 2.9Å; M40-Y77 PolarHBondContact O-N 3.13Å; P75-Y77 HydrophobicContact CB-CE2 3.67Å; P75-Y77 HydrophobicContact CG-CE2 3.97Å; Y77-L91 CarbonylContact C-O 3.57Å; Y77-L91 WeakPolarHBondContact CA-O 3.34Å; Y77-R92 HydrophobicContact CD1-CB 3.97Å; Y77-R92 HydrophobicContact CD1-CG 4.33Å; Y77-R92 HydrophobicContact CE1-CB 3.79Å; Y77-R92 HydrophobicContact CE1-CG 3.9Å
78	V	88.5	Confident	73	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122.7	164.1	177.8	0	0	0	0	107.2	I37 V39 F80 Q90 L91 C93 G99 L102	I37-V78 HydrophobicContact CD1-CG1 3.73Å; I37-V78 HydrophobicContact CG1-CG1 3.71Å; V39-V78 HydrophobicContact CG2-CG2 4.34Å; V78-F80 HydrophobicContact CB-CE2 4.05Å; V78-F80 HydrophobicContact CG1-CD2 4.08Å; V78-F80 HydrophobicContact CG1-CE2 3.46Å; V78-F80 VanDerWaalsContact CG1-CE2 3.46Å; V78-F80 HydrophobicContact CG1-CZ 3.75Å; V78-Q90 WeakPolarHBondContact O-CA 3.36Å; V78-L91 PolarHBondContact N-O 2.9Å; V78-L91 PolarHBondContact O-N 2.94Å; V78-C93 VanDerWaalsContact CG2-SG 3.55Å; V78-G99 VanDerWaalsContact CG2-CA 3.48Å; V78-G99 WeakPolarHBondContact CG2-O 3.43Å; V78-L102 HydrophobicContact CB-CD2 4.43Å; V78-L102 HydrophobicContact CG1-CD2 4.4Å; V78-L102 HydrophobicContact CG2-CD2 4.29Å
79	V	88.4	Confident	75.3	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.006	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.9	-178.5	-173	0	0	0	0	109	I37 Y38 M40 Q90	I37-V79 WeakPolarHBondContact CA-O 3.41Å; Y38-V79 HydrophobicContact CD1-CB 4.43Å; Y38-V79 HydrophobicContact CD2-CB 4.25Å; Y38-V79 HydrophobicContact CD2-CG2 4.41Å; Y38-V79 HydrophobicContact CE1-CB 3.97Å; Y38-V79 HydrophobicContact CE1-CG1 4.01Å; Y38-V79 HydrophobicContact CE2-CB 3.78Å; Y38-V79 HydrophobicContact CE2-CG1 4.35Å; Y38-V79 HydrophobicContact CE2-CG2 3.81Å; Y38-V79 PolarHBondContact N-O 3.33Å; Y38-V79 VanDerWaalsContact N-O 3.14Å; Y38-V79 PolarHBondContact O-N 3.34Å; M40-V79 HydrophobicContact CB-CG2 4.04Å; M40-V79 HydrophobicContact CE-CG2 3.76Å; M40-V79 HydrophobicContact SD-CG2 4.02Å; V79-Q90 HydrophobicContact CB-CG 4.49Å; V79-Q90 HydrophobicContact CG1-CG 4.14Å; V79-Q90 HydrophobicContact CG2-CG 4.03Å
80	F	88.8	Confident	77.5	Confident	17 Å²	17	62.2 Å²	62.2	8%	0.075	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.3	175.8	-58.9	-107.4	0	0	0	107.4	F27 L29 L34 I37 V78 K88 Q89 L91 L102 V106	F27-F80 HydrophobicContact CE2-CB 4.01Å; F27-F80 HydrophobicContact CE2-CD1 4.1Å; F27-F80 AromaticContact CE2-CD2 3.79Å; F27-F80 HydrophobicContact CE2-CD2 3.79Å; F27-F80 HydrophobicContact CE2-CE1 4.49Å; F27-F80 HydrophobicContact CE2-CE2 4.21Å; F27-F80 AromaticContact CE2-CG 3.72Å; F27-F80 HydrophobicContact CE2-CG 3.72Å; F27-F80 HydrophobicContact CZ-CB 4.3Å; F27-F80 HydrophobicContact CZ-CD1 4.47Å; F27-F80 AromaticContact CZ-CD2 3.37Å; F27-F80 HydrophobicContact CZ-CD2 3.37Å; F27-F80 AromaticContact CZ-CE2 3.64Å; F27-F80 HydrophobicContact CZ-CE2 3.64Å; F27-F80 AromaticContact CZ-CG 3.82Å; F27-F80 HydrophobicContact CZ-CG 3.82Å; F27-F80 HydrophobicContact CZ-CZ 4.3Å; L29-F80 HydrophobicContact CD2-CB 3.93Å; L29-F80 HydrophobicContact CD2-CD1 4.37Å; L34-F80 HydrophobicContact CD1-CB 4.26Å; L34-F80 HydrophobicContact CD1-CD1 4.21Å; I37-F80 HydrophobicContact CD1-CD1 3.73Å; I37-F80 HydrophobicContact CD1-CE1 3.34Å; I37-F80 HydrophobicContact CD1-CE2 4.48Å; I37-F80 HydrophobicContact CD1-CG 4.46Å; I37-F80 HydrophobicContact CD1-CZ 3.76Å; I37-F80 HydrophobicContact CG1-CD1 4.2Å; I37-F80 HydrophobicContact CG1-CE1 4.24Å; V78-F80 HydrophobicContact CB-CE2 4.05Å; V78-F80 HydrophobicContact CG1-CD2 4.08Å; V78-F80 HydrophobicContact CG1-CE2 3.46Å; V78-F80 VanDerWaalsContact CG1-CE2 3.46Å; V78-F80 HydrophobicContact CG1-CZ 3.75Å; F80-K88 WeakPolarHBondContact O-CA 3.41Å; F80-Q89 PolarHBondContact N-O 3.21Å; F80-Q89 PolarHBondContact O-N 3.4Å; F80-L91 HydrophobicContact CE2-CB 4.12Å; F80-L102 HydrophobicContact CZ-CD2 4.24Å; F80-V106 HydrophobicContact CE1-CG1 4.41Å; F80-V106 HydrophobicContact CE1-CG2 4.13Å
81	S	87.4	Confident	79.6	Confident	2 Å²	2	60 Å²	60	1%	0.014	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132	173.1	-174	0	0	0	0	108.6	D35 Q36 S87	D35-S81 PolarHBondContact N-O 3.48Å; Q36-S81 PolarHBondContact N-O 3.41Å; Q36-S81 PolarHBondContact O-N 3.11Å; S81-S87 CarbonylContact C-O 3.55Å; S81-S87 WeakPolarHBondContact CA-O 3.49Å
82	A	84.4	Confident	81.6	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.008	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	166.8	-178.8	0	0	0	0	0	112.3	L29 R33 D35 G85 T86 S87	L29-A82 HydrophobicContact CD1-CB 3.5Å; L29-A82 VanDerWaalsContact CD1-CB 3.5Å; L29-A82 HydrophobicContact CD2-CB 3.85Å; L29-A82 HydrophobicContact CG-CB 4.14Å; R33-A82 HydrophobicContact CB-CB 4.2Å; R33-A82 CarbonylContact O-C 3.48Å; R33-A82 WeakPolarHBondContact O-CA 3.26Å; R33-A82 WeakPolarHBondContact O-CB 3.41Å; D35-A82 WeakPolarHBondContact OD2-CA 3.38Å; D35-A82 PolarHBondContact OD2-N 2.93Å; A82-G85 CarbonylContact O-C 3.57Å; A82-G85 PolarHBondContact O-N 3.03Å; A82-T86 PolarHBondContact O-N 3.04Å; A82-S87 PolarHBondContact N-O 2.98Å; A82-S87 PolarHBondContact O-N 3.06Å
83	D	83.2	Confident	82.9	Confident	44 Å²	44	55.7 Å²	55.7	24%	0.235	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	52.8	177.1	-53.6	-56.7	0	0	0	111.7	R33 D35 G85 T86 S87	R33-D83 IonicContact CZ-OD1 3.44Å; R33-D83 IonicContact CZ-OD2 3.3Å; R33-D83 VanDerWaalsContact CZ-OD2 3.3Å; R33-D83 IonicContact NE-OD1 2.72Å; R33-D83 PolarHBondContact NE-OD1 2.96Å; R33-D83 IonicContact NE-OD2 3.25Å; R33-D83 PolarHBondContact NE-OD2 2.87Å; R33-D83 VanDerWaalsContact NH2-CG 3.31Å; R33-D83 IonicContact NH2-OD1 3.35Å; R33-D83 PolarHBondContact NH2-OD1 3.29Å; R33-D83 IonicContact NH2-OD2 2.64Å; R33-D83 PolarHBondContact NH2-OD2 3.38Å; R33-D83 PolarHBondContact O-N 3.25Å; D35-D83 PolarHBondContact OD2-N 3.05Å; D83-G85 PolarHBondContact O-N 3.44Å; D83-T86 WeakPolarHBondContact CB-OG1 3.31Å; D83-T86 WeakPolarHBondContact O-CB 3.1Å; D83-T86 WeakPolarHBondContact O-CG2 3.49Å; D83-T86 PolarHBondContact O-N 3.48Å; D83-T86 VanDerWaalsContact O-N 3.13Å; D83-T86 PolarHBondContact O-OG1 3.45Å; D83-S87 WeakPolarHBondContact OD2-CB 3Å
84	C	82.7	Confident	83.9	Confident	123 Å²	123	55.3 Å²	55.3	83%	0.831	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	35.3	-177	-57.3	0	0	0	0	112.9	D35	D35-C84 VanDerWaalsContact CG-N 3.33Å; D35-C84 PolarHBondContact OD1-N 3.12Å; D35-C84 VanDerWaalsContact OD2-CA 3.28Å; D35-C84 WeakPolarHBondContact OD2-CA 3.38Å; D35-C84 PolarHBondContact OD2-N 3.09Å
85	G	77.5	Confident	84.4	Confident	30 Å²	30	58.8 Å²	58.8	31%	0.309	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	87	1.6	179	0	0	0	0	0	116.1	D35 A82 D83	D35-G85 PolarHBondContact OD2-N 3.29Å; A82-G85 CarbonylContact O-C 3.57Å; A82-G85 PolarHBondContact O-N 3.03Å; D83-G85 PolarHBondContact O-N 3.44Å
86	T	79.4	Confident	84.7	Confident	124 Å²	124	60 Å²	60	76%	0.761	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-25.1	179	62	0	0	0	0	113.1	A82 D83	A82-T86 PolarHBondContact O-N 3.04Å; D83-T86 WeakPolarHBondContact CB-OG1 3.31Å; D83-T86 WeakPolarHBondContact O-CB 3.1Å; D83-T86 WeakPolarHBondContact O-CG2 3.49Å; D83-T86 PolarHBondContact O-N 3.48Å; D83-T86 VanDerWaalsContact O-N 3.13Å; D83-T86 PolarHBondContact O-OG1 3.45Å
87	S	80.8	Confident	84.8	Confident	27 Å²	27	64.1 Å²	64.1	19%	0.189	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.1	172.6	-171.9	0	0	0	0	110.3	S81 A82 D83	S81-S87 CarbonylContact C-O 3.55Å; S81-S87 WeakPolarHBondContact CA-O 3.49Å; A82-S87 PolarHBondContact N-O 2.98Å; A82-S87 PolarHBondContact O-N 3.06Å; D83-S87 WeakPolarHBondContact OD2-CB 3Å
88	K	84.4	Confident	84.7	Confident	137 Å²	137	64.1 Å²	64.1	60%	0.596	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	127.1	174.6	-69.3	-175.7	-177	178.1	0	110.3	F80	F80-K88 WeakPolarHBondContact O-CA 3.41Å
89	Q	86.1	Confident	84.5	Confident	53 Å²	53	64.1 Å²	64.1	25%	0.248	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.4	-179.1	-52.7	-164.7	44.7	0	0	108.7	F27 F80	F27-Q89 HydrophobicContact CD1-CB 4.1Å; F27-Q89 HydrophobicContact CD2-CB 4.02Å; F27-Q89 HydrophobicContact CD2-CG 4.31Å; F27-Q89 HydrophobicContact CE1-CB 3.73Å; F27-Q89 HydrophobicContact CE2-CB 3.64Å; F27-Q89 HydrophobicContact CE2-CG 4.36Å; F27-Q89 HydrophobicContact CG-CB 4.24Å; F27-Q89 HydrophobicContact CZ-CB 3.48Å; F27-Q89 VanDerWaalsContact CZ-CB 3.48Å; F80-Q89 PolarHBondContact N-O 3.21Å; F80-Q89 PolarHBondContact O-N 3.4Å
90	Q	87.2	Confident	84.5	Confident	115 Å²	115	64.9 Å²	64.9	54%	0.537	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.6	-175.4	-61.8	-171.3	-25.9	0	0	109.2	V78 V79	V78-Q90 WeakPolarHBondContact O-CA 3.36Å; V79-Q90 HydrophobicContact CB-CG 4.49Å; V79-Q90 HydrophobicContact CG1-CG 4.14Å; V79-Q90 HydrophobicContact CG2-CG 4.03Å
91	L	86.1	Confident	84.5	Confident	56 Å²	56	67.8 Å²	67.8	29%	0.293	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.9	174.1	-178.2	63.8	0	0	0	108.8	Y77 V78 F80 W98 L102	Y77-L91 CarbonylContact C-O 3.57Å; Y77-L91 WeakPolarHBondContact CA-O 3.34Å; V78-L91 PolarHBondContact N-O 2.9Å; V78-L91 PolarHBondContact O-N 2.94Å; F80-L91 HydrophobicContact CE2-CB 4.12Å; L91-W98 HydrophobicContact CD2-CH2 3.81Å; L91-W98 HydrophobicContact CD2-CZ3 4.26Å; L91-W98 HydrophobicContact CG-CH2 4.43Å; L91-L102 HydrophobicContact CD2-CD2 3.54Å
92	R	86.1	Confident	84.4	Confident	161 Å²	161	69.4 Å²	69.4	61%	0.608	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	136.9	172.2	-174.3	175.5	173.1	177.3	-0.9	109.8	V76 Y77	V76-R92 CarbonylContact O-C 3.37Å; Y77-R92 HydrophobicContact CD1-CB 3.97Å; Y77-R92 HydrophobicContact CD1-CG 4.33Å; Y77-R92 HydrophobicContact CE1-CB 3.79Å; Y77-R92 HydrophobicContact CE1-CG 3.9Å
93	C	83.3	Confident	84.6	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.014	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.1	-179.6	-62.3	0	0	0	0	108.8	V76 V78 W98	V76-C93 HydrophobicContact CB-CB 3.85Å; V76-C93 HydrophobicContact CG1-CB 3.82Å; V76-C93 PolarHBondContact O-N 2.9Å; V78-C93 VanDerWaalsContact CG2-SG 3.55Å; C93-W98 HydrophobicContact CB-CE3 3.53Å; C93-W98 HydrophobicContact CB-CZ3 3.85Å; C93-W98 WeakPolarHBondContact SG-CZ3 3.41Å
94	D	82.8	Confident	84.8	Confident	102 Å²	102	71.4 Å²	71.4	55%	0.545	37%	0.369	S	S	.	.	S	Bend	trans	-77.5	-30.8	176.4	-65.6	-30.2	0	0	0	112.1
95	Y	83.5	Confident	85.1	Confident	138 Å²	138	71.1 Å²	71.1	54%	0.541	36%	0.358	S	S	.	.			trans	-127.6	139.8	-175.6	-55.9	-80.1	0	0	0	111.1	T97 W98 G99	Y95-T97 VanDerWaalsContact C-N 3.31Å; Y95-T97 PolarHBondContact O-N 3.08Å; Y95-W98 PolarHBondContact O-N 3.49Å; Y95-G99 PolarHBondContact O-N 3.47Å; Y95-G99 VanDerWaalsContact O-N 3.16Å
96	L	85.7	Confident	85.5	Confident	65 Å²	65	70.7 Å²	70.7	34%	0.34	35%	0.349	S	S	.	.	H	α-helix	trans	-60.5	-42.4	176.5	175.5	58.8	0	0	0	111.6	V39 L41 V76 W98 G99 L100	V39-L96 HydrophobicContact CG1-CD1 3.77Å; L41-L96 HydrophobicContact CD2-CD1 4.23Å; V76-L96 HydrophobicContact CG1-CD1 4.33Å; V76-L96 HydrophobicContact CG2-CB 4.18Å; L96-W98 VanDerWaalsContact C-N 3.28Å; L96-W98 PolarHBondContact O-N 3.45Å; L96-G99 PolarHBondContact O-N 3.25Å; L96-L100 HydrophobicContact CD1-CD1 4.1Å; L96-L100 HydrophobicContact CD1-CG 4.12Å; L96-L100 HydrophobicContact CG-CD1 3.89Å; L96-L100 HydrophobicContact CG-CG 4.4Å; L96-L100 WeakPolarHBondContact O-CG 3.29Å; L96-L100 PolarHBondContact O-N 2.84Å
97	T	87.1	Confident	85.8	Confident	90 Å²	90	69.2 Å²	69.2	55%	0.552	33%	0.33	S	S	*	.	H	α-helix	trans	-55.5	-44.9	176.5	47.7	0	0	0	0	111.3	Y95 G99 L100 D101	Y95-T97 VanDerWaalsContact C-N 3.31Å; Y95-T97 PolarHBondContact O-N 3.08Å; T97-G99 PolarHBondContact O-N 2.81Å; T97-L100 PolarHBondContact O-N 3.03Å; T97-D101 WeakPolarHBondContact O-CB 3.46Å; T97-D101 VanDerWaalsContact O-CG 3.29Å; T97-D101 PolarHBondContact O-N 3.32Å
98	W	84.9	Confident	86	Confident	58 Å²	58	71.5 Å²	71.5	22%	0.22	34%	0.34	C	S	.	.	H	α-helix	trans	-64	-43.5	178.3	-171.7	66.4	0	0	0	112.6	F17 L91 C93 Y95 L96 L100 D101 L102	F17-W98 AromaticContact CE1-CH2 3.64Å; F17-W98 HydrophobicContact CE1-CH2 3.64Å; F17-W98 AromaticContact CE1-CZ2 3.37Å; F17-W98 HydrophobicContact CE1-CZ2 3.37Å; F17-W98 AromaticContact CZ-CE2 3.93Å; F17-W98 HydrophobicContact CZ-CH2 4.18Å; F17-W98 AromaticContact CZ-CZ2 3.42Å; F17-W98 HydrophobicContact CZ-CZ2 3.42Å; F17-W98 VanDerWaalsContact CZ-CZ2 3.42Å; L91-W98 HydrophobicContact CD2-CH2 3.81Å; L91-W98 HydrophobicContact CD2-CZ3 4.26Å; L91-W98 HydrophobicContact CG-CH2 4.43Å; C93-W98 HydrophobicContact CB-CE3 3.53Å; C93-W98 HydrophobicContact CB-CZ3 3.85Å; C93-W98 WeakPolarHBondContact SG-CZ3 3.41Å; Y95-W98 PolarHBondContact O-N 3.49Å; L96-W98 VanDerWaalsContact C-N 3.28Å; L96-W98 PolarHBondContact O-N 3.45Å; W98-L100 VanDerWaalsContact C-N 3.31Å; W98-L100 PolarHBondContact O-N 2.92Å; W98-D101 PolarHBondContact O-N 3.28Å; W98-L102 HydrophobicContact CH2-CD2 4.36Å; W98-L102 WeakPolarHBondContact O-CB 3.49Å; W98-L102 PolarHBondContact O-N 3.02Å
99	G	85.7	Confident	86	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-62.2	-37.7	175.8	0	0	0	0	0	113.1	V39 V78 Y95 L96 T97 T103	V39-G99 WeakPolarHBondContact CG2-O 3.45Å; V78-G99 VanDerWaalsContact CG2-CA 3.48Å; V78-G99 WeakPolarHBondContact CG2-O 3.43Å; Y95-G99 PolarHBondContact O-N 3.47Å; Y95-G99 VanDerWaalsContact O-N 3.16Å; L96-G99 PolarHBondContact O-N 3.25Å; T97-G99 PolarHBondContact O-N 2.81Å; G99-T103 WeakPolarHBondContact O-CB 3.07Å; G99-T103 PolarHBondContact O-N 3.48Å; G99-T103 PolarHBondContact O-OG1 3.11Å
100	L	88.2	Confident	85.9	Confident	17 Å²	17	65.5 Å²	65.5	9%	0.089	32%	0.317	C	S	.	.	H	α-helix	trans	-68.7	-46.1	175.9	-69.7	166.9	0	0	0	112	V39 T53 I56 L96 T97 W98 T103 L104	V39-L100 HydrophobicContact CB-CD2 4.47Å; V39-L100 HydrophobicContact CG2-CD2 3.91Å; V39-L100 HydrophobicContact CG2-CG 4.32Å; T53-L100 HydrophobicContact CG2-CD2 4.04Å; I56-L100 HydrophobicContact CD1-CD1 3.63Å; I56-L100 HydrophobicContact CD1-CD2 4.39Å; I56-L100 HydrophobicContact CG1-CD1 4.15Å; L96-L100 HydrophobicContact CD1-CD1 4.1Å; L96-L100 HydrophobicContact CD1-CG 4.12Å; L96-L100 HydrophobicContact CG-CD1 3.89Å; L96-L100 HydrophobicContact CG-CG 4.4Å; L96-L100 WeakPolarHBondContact O-CG 3.29Å; L96-L100 PolarHBondContact O-N 2.84Å; T97-L100 PolarHBondContact O-N 3.03Å; W98-L100 VanDerWaalsContact C-N 3.31Å; W98-L100 PolarHBondContact O-N 2.92Å; L100-T103 WeakPolarHBondContact O-CB 3.48Å; L100-T103 PolarHBondContact O-N 3.17Å; L100-L104 WeakPolarHBondContact O-CB 3.47Å; L100-L104 PolarHBondContact O-N 2.91Å
101	D	87.3	Confident	85.7	Confident	79 Å²	79	66.3 Å²	66.3	42%	0.422	32%	0.319	S	S	.	.	H	α-helix	trans	-61.7	-45.1	178	-72.5	-23.4	0	0	0	111	T97 W98 T103 L104 L105	T97-D101 WeakPolarHBondContact O-CB 3.46Å; T97-D101 VanDerWaalsContact O-CG 3.29Å; T97-D101 PolarHBondContact O-N 3.32Å; W98-D101 PolarHBondContact O-N 3.28Å; D101-T103 VanDerWaalsContact C-N 3.33Å; D101-T103 PolarHBondContact O-N 3.13Å; D101-L104 PolarHBondContact O-N 3.39Å; D101-L105 WeakPolarHBondContact O-CB 3.3Å; D101-L105 VanDerWaalsContact O-CG 3.29Å; D101-L105 WeakPolarHBondContact O-CG 3.44Å; D101-L105 PolarHBondContact O-N 2.84Å
102	L	87	Confident	85.5	Confident	36 Å²	36	71.2 Å²	71.2	19%	0.188	33%	0.333	C	S	.	.	H	α-helix	trans	-58.8	-46.7	174.7	178.8	60.8	0	0	0	111.2	V78 F80 L91 W98 L104 L105 V106	V78-L102 HydrophobicContact CB-CD2 4.43Å; V78-L102 HydrophobicContact CG1-CD2 4.4Å; V78-L102 HydrophobicContact CG2-CD2 4.29Å; F80-L102 HydrophobicContact CZ-CD2 4.24Å; L91-L102 HydrophobicContact CD2-CD2 3.54Å; W98-L102 HydrophobicContact CH2-CD2 4.36Å; W98-L102 WeakPolarHBondContact O-CB 3.49Å; W98-L102 PolarHBondContact O-N 3.02Å; L102-L104 VanDerWaalsContact C-N 3.3Å; L102-L104 PolarHBondContact O-N 3.34Å; L102-L105 PolarHBondContact O-N 2.9Å; L102-V106 HydrophobicContact CD1-CG2 4.09Å; L102-V106 HydrophobicContact CG-CG2 4.49Å; L102-V106 VanDerWaalsContact O-CG2 3.3Å; L102-V106 WeakPolarHBondContact O-CG2 3.41Å; L102-V106 PolarHBondContact O-N 2.8Å
103	T	88	Confident	85.3	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.8	-42.9	178	-63.7	0	0	0	0	111.5	I37 V39 G99 L100 D101 R107	I37-T103 HydrophobicContact CG1-CG2 4.15Å; I37-T103 HydrophobicContact CG2-CG2 4.16Å; V39-T103 WeakPolarHBondContact CG2-OG1 3.4Å; G99-T103 WeakPolarHBondContact O-CB 3.07Å; G99-T103 PolarHBondContact O-N 3.48Å; G99-T103 PolarHBondContact O-OG1 3.11Å; L100-T103 WeakPolarHBondContact O-CB 3.48Å; L100-T103 PolarHBondContact O-N 3.17Å; D101-T103 VanDerWaalsContact C-N 3.33Å; D101-T103 PolarHBondContact O-N 3.13Å; T103-R107 WeakPolarHBondContact O-CG 3.03Å; T103-R107 PolarHBondContact O-N 3.02Å; T103-R107 VanDerWaalsContact O-N 3.08Å
104	L	88.3	Confident	85	Confident	87 Å²	87	66 Å²	66	46%	0.455	32%	0.323	S	S	.	.	H	α-helix	trans	-66	-45.4	177.7	178.8	63.1	0	0	0	111.8	L100 D101 L102 V106 R107 N108	L100-L104 WeakPolarHBondContact O-CB 3.47Å; L100-L104 PolarHBondContact O-N 2.91Å; D101-L104 PolarHBondContact O-N 3.39Å; L102-L104 VanDerWaalsContact C-N 3.3Å; L102-L104 PolarHBondContact O-N 3.34Å; L104-V106 PolarHBondContact O-N 3.38Å; L104-R107 PolarHBondContact O-N 2.87Å; L104-N108 WeakPolarHBondContact O-CB 3.33Å; L104-N108 VanDerWaalsContact O-CG 3.32Å; L104-N108 PolarHBondContact O-N 2.92Å; L104-N108 PolarHBondContact O-ND2 3.16Å
105	L	87.2	Confident	84.9	Confident	117 Å²	117	64.2 Å²	64.2	61%	0.613	31%	0.311	S	S	*	.	H	α-helix	trans	-60.7	-44.5	178.5	-73.9	170.6	0	0	0	111.7	D101 L102 N108 A109	D101-L105 WeakPolarHBondContact O-CB 3.3Å; D101-L105 VanDerWaalsContact O-CG 3.29Å; D101-L105 WeakPolarHBondContact O-CG 3.44Å; D101-L105 PolarHBondContact O-N 2.84Å; L102-L105 PolarHBondContact O-N 2.9Å; L105-N108 PolarHBondContact O-N 3.44Å; L105-A109 WeakPolarHBondContact O-CB 3.34Å; L105-A109 PolarHBondContact O-N 2.88Å
106	V	86.8	Confident	84.5	Confident	20 Å²	20	58.2 Å²	58.2	12%	0.121	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-45.1	178.3	172.8	0	0	0	0	111.1	Y31 L34 I37 F80 L102 L104 N108 A109 Q110	Y31-V106 HydrophobicContact CE1-CG1 4.37Å; L34-V106 HydrophobicContact CD2-CG1 3.53Å; I37-V106 HydrophobicContact CD1-CB 3.68Å; I37-V106 HydrophobicContact CD1-CG1 3.73Å; I37-V106 HydrophobicContact CD1-CG2 3.93Å; I37-V106 HydrophobicContact CG2-CG1 4.33Å; F80-V106 HydrophobicContact CE1-CG1 4.41Å; F80-V106 HydrophobicContact CE1-CG2 4.13Å; L102-V106 HydrophobicContact CD1-CG2 4.09Å; L102-V106 HydrophobicContact CG-CG2 4.49Å; L102-V106 VanDerWaalsContact O-CG2 3.3Å; L102-V106 WeakPolarHBondContact O-CG2 3.41Å; L102-V106 PolarHBondContact O-N 2.8Å; L104-V106 PolarHBondContact O-N 3.38Å; V106-N108 VanDerWaalsContact C-N 3.34Å; V106-N108 PolarHBondContact O-N 3.23Å; V106-A109 PolarHBondContact O-N 3.22Å; V106-Q110 WeakPolarHBondContact O-CB 3.33Å; V106-Q110 PolarHBondContact O-N 3.49Å
107	R	86.3	Confident	83.7	Confident	94 Å²	94	56.2 Å²	56.2	36%	0.355	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-42.4	175.6	-75.9	-167.8	-118.3	165.5	-1.3	112.1	I37 T103 L104 A109 Q110 F111	I37-R107 HydrophobicContact CG2-CG 3.63Å; T103-R107 WeakPolarHBondContact O-CG 3.03Å; T103-R107 PolarHBondContact O-N 3.02Å; T103-R107 VanDerWaalsContact O-N 3.08Å; L104-R107 PolarHBondContact O-N 2.87Å; R107-A109 VanDerWaalsContact C-N 3.34Å; R107-A109 PolarHBondContact O-N 3.26Å; R107-Q110 PolarHBondContact O-N 2.76Å; R107-F111 WeakPolarHBondContact O-CB 3.45Å; R107-F111 PolarHBondContact O-N 2.64Å
108	N	84.5	Confident	83	Confident	74 Å²	74	57.7 Å²	57.7	40%	0.396	28%	0.282	S	S	.	.	H	α-helix	trans	-63	-40.9	176.1	-78.8	-26.9	0	0	0	111.9	L104 L105 V106 F111 R112	L104-N108 WeakPolarHBondContact O-CB 3.33Å; L104-N108 VanDerWaalsContact O-CG 3.32Å; L104-N108 PolarHBondContact O-N 2.92Å; L104-N108 PolarHBondContact O-ND2 3.16Å; L105-N108 PolarHBondContact O-N 3.44Å; V106-N108 VanDerWaalsContact C-N 3.34Å; V106-N108 PolarHBondContact O-N 3.23Å; N108-F111 PolarHBondContact O-N 3.25Å; N108-R112 WeakPolarHBondContact O-CG 3.48Å; N108-R112 PolarHBondContact O-N 3.14Å
109	A	83.9	Confident	82	Confident	17 Å²	17	61.7 Å²	61.7	14%	0.14	30%	0.297	C	S	.	.	H	α-helix	trans	-66.4	-43.1	175.9	0	0	0	0	0	112	Y31 L105 V106 R107 F111 R112 F113	Y31-A109 HydrophobicContact CD1-CB 4.49Å; Y31-A109 HydrophobicContact CE1-CB 3.63Å; Y31-A109 HydrophobicContact CE2-CB 4.28Å; Y31-A109 VanDerWaalsContact CZ-CB 3.5Å; Y31-A109 WeakPolarHBondContact OH-CB 3.38Å; L105-A109 WeakPolarHBondContact O-CB 3.34Å; L105-A109 PolarHBondContact O-N 2.88Å; V106-A109 PolarHBondContact O-N 3.22Å; R107-A109 VanDerWaalsContact C-N 3.34Å; R107-A109 PolarHBondContact O-N 3.26Å; A109-F111 VanDerWaalsContact C-N 3.33Å; A109-F111 PolarHBondContact O-N 3.35Å; A109-R112 PolarHBondContact O-N 2.93Å; A109-F113 WeakPolarHBondContact O-CB 3.42Å; A109-F113 PolarHBondContact O-N 2.97Å
110	Q	84.4	Confident	80.6	Confident	48 Å²	48	63.7 Å²	63.7	22%	0.224	31%	0.309	C	S	.	.	H	α-helix	trans	-61.6	-40.7	174.7	-171.8	-177.8	16.2	0	0	111.8	Y31 L34 V106 R107 F113 A114	Y31-Q110 HydrophobicContact CD1-CB 4.1Å; L34-Q110 PolarHBondContact O-NE2 3.04Å; V106-Q110 WeakPolarHBondContact O-CB 3.33Å; V106-Q110 PolarHBondContact O-N 3.49Å; R107-Q110 PolarHBondContact O-N 2.76Å; Q110-F113 WeakPolarHBondContact O-CB 3.46Å; Q110-F113 PolarHBondContact O-N 3.36Å; Q110-A114 PolarHBondContact O-N 3.18Å
111	F	82.6	Confident	79.1	Confident	131 Å²	131	67.9 Å²	67.9	58%	0.575	33%	0.331	S	S	*	.	H	α-helix	trans	-62.2	-45.9	174.1	177	-97.8	0	0	0	111.7	R107 N108 A109 F113 A114 Q115	R107-F111 WeakPolarHBondContact O-CB 3.45Å; R107-F111 PolarHBondContact O-N 2.64Å; N108-F111 PolarHBondContact O-N 3.25Å; A109-F111 VanDerWaalsContact C-N 3.33Å; A109-F111 PolarHBondContact O-N 3.35Å; F111-F113 VanDerWaalsContact C-N 3.31Å; F111-F113 PolarHBondContact O-N 2.72Å; F111-A114 PolarHBondContact O-N 2.89Å; F111-Q115 WeakPolarHBondContact O-CB 3.47Å; F111-Q115 PolarHBondContact O-N 2.79Å
112	R	81.4	Confident	77.4	Confident	159 Å²	159	73 Å²	73	60%	0.6	35%	0.345	S	S	*	.	H	α-helix	trans	-61.5	-39.7	175.8	-71.8	176.5	-174.6	-166.2	2.7	112	N108 A109 Q115 A116	N108-R112 WeakPolarHBondContact O-CG 3.48Å; N108-R112 PolarHBondContact O-N 3.14Å; A109-R112 PolarHBondContact O-N 2.93Å; R112-Q115 PolarHBondContact O-N 2.94Å; R112-A116 WeakPolarHBondContact O-CB 3.35Å; R112-A116 PolarHBondContact O-N 2.78Å
113	F	82.2	Confident	75.7	Confident	13 Å²	13	77 Å²	77	6%	0.057	37%	0.365	C	S	.	.	H	α-helix	trans	-58.1	-53.2	172.9	177.6	-103.4	0	0	0	111.1	H32 A109 Q110 F111 Q115 A116 N117 L164 Y166	H32-F113 HydrophobicContact CB-CE1 3.64Å; H32-F113 HydrophobicContact CB-CZ 3.88Å; A109-F113 WeakPolarHBondContact O-CB 3.42Å; A109-F113 PolarHBondContact O-N 2.97Å; Q110-F113 WeakPolarHBondContact O-CB 3.46Å; Q110-F113 PolarHBondContact O-N 3.36Å; F111-F113 VanDerWaalsContact C-N 3.31Å; F111-F113 PolarHBondContact O-N 2.72Å; F113-Q115 VanDerWaalsContact C-N 3.33Å; F113-Q115 PolarHBondContact O-N 2.78Å; F113-A116 PolarHBondContact O-N 3.38Å; F113-N117 VanDerWaalsContact CD1-ND2 3.31Å; F113-N117 WeakPolarHBondContact CD1-ND2 3.39Å; F113-N117 WeakPolarHBondContact CE1-ND2 3.2Å; F113-N117 WeakPolarHBondContact CE2-ND2 3.28Å; F113-N117 WeakPolarHBondContact CZ-ND2 3.13Å; F113-N117 PolarHBondContact O-N 2.93Å; F113-N117 PolarHBondContact O-ND2 3.19Å; F113-L164 HydrophobicContact CB-CD2 3.83Å; F113-L164 HydrophobicContact CD2-CB 4.44Å; F113-L164 HydrophobicContact CD2-CD2 4.24Å; F113-L164 WeakPolarHBondContact CD2-O 3.39Å; F113-L164 WeakPolarHBondContact CE2-O 3.43Å; F113-L164 HydrophobicContact CG-CD2 4.5Å; F113-Y166 WeakPolarHBondContact CE2-O 3.3Å; F113-Y166 WeakPolarHBondContact CZ-O 3.4Å
114	A	78.5	Confident	73.8	Confident	42 Å²	42	82.6 Å²	82.6	35%	0.347	39%	0.393	S	S	.	.	H	α-helix	trans	-59.6	-42.5	178	0	0	0	0	0	112.2	Q110 F111 A116 N117 M118	Q110-A114 PolarHBondContact O-N 3.18Å; F111-A114 PolarHBondContact O-N 2.89Å; A114-A116 PolarHBondContact O-N 2.83Å; A114-N117 PolarHBondContact O-N 3.42Å; A114-M118 WeakPolarHBondContact O-CG 3.44Å; A114-M118 PolarHBondContact O-N 2.82Å
115	Q	80.8	Confident	71.8	Confident	64 Å²	64	83.1 Å²	83.1	30%	0.299	40%	0.396	S	S	.	.	H	α-helix	trans	-62.1	-41.7	176.5	-172.7	-178.5	2.9	0	0	112.3	F111 R112 F113 M118 R119	F111-Q115 WeakPolarHBondContact O-CB 3.47Å; F111-Q115 PolarHBondContact O-N 2.79Å; R112-Q115 PolarHBondContact O-N 2.94Å; F113-Q115 VanDerWaalsContact C-N 3.33Å; F113-Q115 PolarHBondContact O-N 2.78Å; Q115-M118 PolarHBondContact O-N 3.13Å; Q115-R119 VanDerWaalsContact NE2-NH2 3.14Å; Q115-R119 WeakPolarHBondContact O-CG 3.29Å; Q115-R119 PolarHBondContact O-N 3.22Å; Q115-R119 VanDerWaalsContact O-N 3.12Å
116	A	74.5	Confident	70	Confident	11 Å²	11	82 Å²	82	9%	0.091	39%	0.39	C	S	.	.	H	α-helix	trans	-61.7	-47.9	175.1	0	0	0	0	0	110.8	R112 F113 A114 M118 R119 V120	R112-A116 WeakPolarHBondContact O-CB 3.35Å; R112-A116 PolarHBondContact O-N 2.78Å; F113-A116 PolarHBondContact O-N 3.38Å; A114-A116 PolarHBondContact O-N 2.83Å; A116-M118 VanDerWaalsContact C-N 3.34Å; A116-M118 PolarHBondContact O-N 2.85Å; A116-R119 WeakPolarHBondContact O-CB 3.44Å; A116-R119 PolarHBondContact O-N 2.81Å; A116-V120 WeakPolarHBondContact O-CG2 3.33Å; A116-V120 PolarHBondContact O-N 3.38Å; A116-V120 VanDerWaalsContact O-N 3.11Å
117	N	69.5	Low	68.2	Low	24 Å²	24	85.2 Å²	85.2	13%	0.128	41%	0.414	C	S	.	.	H	α-helix	trans	-60.9	-40.6	178.7	-66.8	-37	0	0	0	112.6	F113 A114 R119 V120 N121 S167	F113-N117 VanDerWaalsContact CD1-ND2 3.31Å; F113-N117 WeakPolarHBondContact CD1-ND2 3.39Å; F113-N117 WeakPolarHBondContact CE1-ND2 3.2Å; F113-N117 WeakPolarHBondContact CE2-ND2 3.28Å; F113-N117 WeakPolarHBondContact CZ-ND2 3.13Å; F113-N117 PolarHBondContact O-N 2.93Å; F113-N117 PolarHBondContact O-ND2 3.19Å; A114-N117 PolarHBondContact O-N 3.42Å; N117-R119 VanDerWaalsContact C-N 3.31Å; N117-R119 PolarHBondContact O-N 2.85Å; N117-V120 PolarHBondContact O-N 3.41Å; N117-N121 PolarHBondContact O-N 3.2Å; N117-N121 VanDerWaalsContact O-N 3.13Å; N117-N121 PolarHBondContact O-ND2 3.16Å; N117-S167 VanDerWaalsContact OD1-CB 3.27Å; N117-S167 WeakPolarHBondContact OD1-CB 3.49Å
118	M	71	Confident	66.2	Low	120 Å²	120	85.6 Å²	85.6	59%	0.591	43%	0.427	S	S	*	.	H	α-helix	trans	-64.3	-33.7	174.9	-72.2	-171.4	-69	0	0	113	A114 Q115 A116 R122	A114-M118 WeakPolarHBondContact O-CG 3.44Å; A114-M118 PolarHBondContact O-N 2.82Å; Q115-M118 PolarHBondContact O-N 3.13Å; A116-M118 VanDerWaalsContact C-N 3.34Å; A116-M118 PolarHBondContact O-N 2.85Å; M118-R122 PolarHBondContact O-N 3.37Å
119	R	63.8	Low	64.2	Low	142 Å²	142	87.2 Å²	87.2	54%	0.536	43%	0.434	S	S	.	.	H	α-helix	trans	-68.4	-41.9	175.8	-74.7	173	170.7	162.7	-3.5	111.9	Q115 A116 N117 N121 R122 L123	Q115-R119 VanDerWaalsContact NE2-NH2 3.14Å; Q115-R119 WeakPolarHBondContact O-CG 3.29Å; Q115-R119 PolarHBondContact O-N 3.22Å; Q115-R119 VanDerWaalsContact O-N 3.12Å; A116-R119 WeakPolarHBondContact O-CB 3.44Å; A116-R119 PolarHBondContact O-N 2.81Å; N117-R119 VanDerWaalsContact C-N 3.31Å; N117-R119 PolarHBondContact O-N 2.85Å; R119-N121 VanDerWaalsContact C-N 3.35Å; R119-R122 PolarHBondContact O-N 3.26Å; R119-L123 PolarHBondContact O-N 3.22Å
120	V	57.8	Low	62	Low	43 Å²	43	91.3 Å²	91.3	26%	0.261	46%	0.457	S	S	.	.	H	α-helix	trans	-61.6	-44.4	177	-178	0	0	0	0	110.8	A116 N117 R122 L123 M124 P155	A116-V120 WeakPolarHBondContact O-CG2 3.33Å; A116-V120 PolarHBondContact O-N 3.38Å; A116-V120 VanDerWaalsContact O-N 3.11Å; N117-V120 PolarHBondContact O-N 3.41Å; V120-R122 PolarHBondContact O-N 3.44Å; V120-L123 PolarHBondContact O-N 2.86Å; V120-M124 PolarHBondContact O-N 2.76Å; V120-P155 HydrophobicContact CB-CG 4.37Å; V120-P155 HydrophobicContact CG1-CG 3.88Å; V120-P155 HydrophobicContact CG2-CB 4.4Å; V120-P155 HydrophobicContact CG2-CG 3.69Å
121	N	55.5	Low	59.9	Low	104 Å²	104	95.1 Å²	95.1	56%	0.556	48%	0.484	S	S	*	.	H	α-helix	trans	-62.8	-29.8	178.9	-68.5	-20.8	0	0	0	113	N117 R119 N125	N117-N121 PolarHBondContact O-N 3.2Å; N117-N121 VanDerWaalsContact O-N 3.13Å; N117-N121 PolarHBondContact O-ND2 3.16Å; R119-N121 VanDerWaalsContact C-N 3.35Å; N121-N125 PolarHBondContact O-N 2.9Å
122	R	52.2	Low	57.7	Low	186 Å²	186	93.9 Å²	93.9	70%	0.702	49%	0.492	S	S	*	.	H	α-helix	trans	-71.2	-41.6	176.7	-166.9	-177.5	-76.3	-172.1	-4.3	112.2	M118 R119 V120 M124 N125 I126	M118-R122 PolarHBondContact O-N 3.37Å; R119-R122 PolarHBondContact O-N 3.26Å; V120-R122 PolarHBondContact O-N 3.44Å; R122-M124 VanDerWaalsContact C-N 3.32Å; R122-M124 PolarHBondContact O-N 2.9Å; R122-N125 PolarHBondContact O-N 2.86Å; R122-I126 HydrophobicContact CG-CD1 4.09Å; R122-I126 WeakPolarHBondContact O-CG1 3.44Å; R122-I126 PolarHBondContact O-N 2.98Å; R122-I126 VanDerWaalsContact O-N 3.12Å
123	L	51.6	Low	55.5	Low	120 Å²	120	91.7 Å²	91.7	63%	0.628	50%	0.501	S	S	*	.	H	α-helix	trans	-65.1	-38.2	177.6	-94.7	75.2	0	0	0	111.8	R119 V120 S127	R119-L123 PolarHBondContact O-N 3.22Å; V120-L123 PolarHBondContact O-N 2.86Å; L123-S127 PolarHBondContact O-N 2.75Å; L123-S127 PolarHBondContact O-OG 3.3Å
124	M	48.3	Very low	53.2	Low	118 Å²	118	96.6 Å²	96.6	58%	0.581	54%	0.537	S	S	*	.	H	α-helix	trans	-66.2	-40.6	179	-151.8	163.5	-171.7	0	0	111.4	V120 R122 S127 T128	V120-M124 PolarHBondContact O-N 2.76Å; R122-M124 VanDerWaalsContact C-N 3.32Å; R122-M124 PolarHBondContact O-N 2.9Å; M124-S127 PolarHBondContact O-N 2.84Å; M124-T128 PolarHBondContact O-OG1 2.81Å
125	N	45.5	Very low	51	Low	98 Å²	98	99.8 Å²	99.8	52%	0.524	56%	0.557	S	S	.	*	H	α-helix	trans	-69.3	-39.3	178.3	-162.6	1.2	0	0	0	112.8	N121 R122 S127 T128 I129	N121-N125 PolarHBondContact O-N 2.9Å; R122-N125 PolarHBondContact O-N 2.86Å; N125-S127 VanDerWaalsContact C-N 3.3Å; N125-S127 PolarHBondContact O-N 3.28Å; N125-T128 PolarHBondContact O-N 3.49Å; N125-T128 PolarHBondContact O-OG1 3.06Å; N125-I129 WeakPolarHBondContact O-CG1 3.33Å; N125-I129 PolarHBondContact O-N 3.25Å; N125-I129 WeakPolarHBondContact OD1-CD1 3.45Å
126	I	50.2	Low	48.5	Very low	95 Å²	95	101.6 Å²	101.6	49%	0.487	58%	0.576	S	S	.	*	H	α-helix	trans	-62.9	-39.9	177.4	-67.4	167.5	0	0	0	110.8	R122 T128 I129 T130	R122-I126 HydrophobicContact CG-CD1 4.09Å; R122-I126 WeakPolarHBondContact O-CG1 3.44Å; R122-I126 PolarHBondContact O-N 2.98Å; R122-I126 VanDerWaalsContact O-N 3.12Å; I126-T128 PolarHBondContact O-N 3.16Å; I126-I129 PolarHBondContact O-N 3.45Å; I126-I129 VanDerWaalsContact O-N 3.09Å; I126-T130 PolarHBondContact O-N 3.27Å; I126-T130 PolarHBondContact O-OG1 2.96Å; I126-T130 VanDerWaalsContact O-OG1 3.14Å
127	S	47.3	Very low	46.4	Very low	87 Å²	87	107.9 Å²	107.9	61%	0.608	61%	0.614	S	S	*	*	H	α-helix	trans	-63.5	-27.4	-179.3	-55.8	0	0	0	0	113	L123 M124 N125	L123-S127 PolarHBondContact O-N 2.75Å; L123-S127 PolarHBondContact O-OG 3.3Å; M124-S127 PolarHBondContact O-N 2.84Å; N125-S127 VanDerWaalsContact C-N 3.3Å; N125-S127 PolarHBondContact O-N 3.28Å
128	T	45.3	Very low	44.5	Very low	102 Å²	102	110.3 Å²	110.3	63%	0.626	64%	0.644	S	S	*	*	H	α-helix	trans	-82.6	-18.9	174.7	21.8	0	0	0	0	114.9	M124 N125 I126	M124-T128 PolarHBondContact O-OG1 2.81Å; N125-T128 PolarHBondContact O-N 3.49Å; N125-T128 PolarHBondContact O-OG1 3.06Å; I126-T128 PolarHBondContact O-N 3.16Å
129	I	41.7	Very low	42.5	Very low	108 Å²	108	109.8 Å²	109.8	55%	0.554	65%	0.653	S	S	*	*	H	α-helix	trans	-94.9	-18.5	-174.5	-63.5	171.3	0	0	0	112.4	N125 I126 T131	N125-I129 WeakPolarHBondContact O-CG1 3.33Å; N125-I129 PolarHBondContact O-N 3.25Å; N125-I129 WeakPolarHBondContact OD1-CD1 3.45Å; I126-I129 PolarHBondContact O-N 3.45Å; I126-I129 VanDerWaalsContact O-N 3.09Å; I129-T131 VanDerWaalsContact C-N 3.3Å; I129-T131 PolarHBondContact O-N 3.05Å; I129-T131 VanDerWaalsContact O-N 3.15Å
130	T	39.1	Very low	40.8	Very low	102 Å²	102	108.8 Å²	108.8	63%	0.626	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	20.8	-176.4	31.8	0	0	0	0	117.1	I126	I126-T130 PolarHBondContact O-N 3.27Å; I126-T130 PolarHBondContact O-OG1 2.96Å; I126-T130 VanDerWaalsContact O-OG1 3.14Å
131	T	39.2	Very low	39.5	Very low	128 Å²	128	115.3 Å²	115.3	79%	0.785	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.1	27.4	175.6	44.8	0	0	0	0	115.1	I129	I129-T131 VanDerWaalsContact C-N 3.3Å; I129-T131 PolarHBondContact O-N 3.05Å; I129-T131 VanDerWaalsContact O-N 3.15Å
132	S	37.3	Very low	38.5	Very low	106 Å²	106	118.1 Å²	118.1	74%	0.741	71%	0.707	S	S	*	*	S	Bend	trans	-132.3	55.2	169.3	45.2	0	0	0	0	112.8
133	S	34.4	Very low	37.6	Very low	112 Å²	112	115 Å²	115	78%	0.783	70%	0.704	S	S	*	*			trans	-164	65.5	165.1	37.8	0	0	0	0	113.2
134	S	34.8	Very low	36.6	Very low	117 Å²	117	119.2 Å²	119.2	82%	0.818	72%	0.717	S	S	*	*			trans	-162.5	104.4	150.3	53.5	0	0	0	0	109.5
135	S	30.9	Very low	35.9	Very low	109 Å²	109	120.7 Å²	120.7	76%	0.762	72%	0.723	S	S	*	*			trans	-58.7	144.6	175.9	46.3	0	0	0	0	113.6
136	S	29.7	Very low	35.3	Very low	101 Å²	101	123.5 Å²	123.5	71%	0.706	73%	0.733	S	S	*	*			trans	73.2	127.4	143.7	57.8	0	0	0	0	121
137	T	30.3	Very low	34.6	Very low	144 Å²	144	127.4 Å²	127.4	88%	0.883	75%	0.754	S	S	*	*			trans	74.2	93.8	150.5	38.5	0	0	0	0	118.4
138	G	28.1	Very low	34	Very low	75 Å²	75	128.2 Å²	128.2	77%	0.773	76%	0.755	S	S	*	*			trans	171.7	81.5	161.2	0	0	0	0	0	115.5
139	S	29	Very low	33.8	Very low	109 Å²	109	127.7 Å²	127.7	76%	0.762	75%	0.752	S	S	*	*			trans	57.9	105.8	150.4	-157	0	0	0	0	119	K141	S139-K141 PolarHBondContact O-N 3.19Å
140	S	28.7	Very low	33.8	Very low	120 Å²	120	126.4 Å²	126.4	84%	0.839	76%	0.758	S	S	*	*			trans	-45.4	107	161	-60.5	0	0	0	0	112.5
141	K	31.4	Very low	33.8	Very low	180 Å²	180	126.8 Å²	126.8	78%	0.783	76%	0.763	S	S	*	*			trans	-121	120.4	154.4	-78.3	-175.1	179.9	173.7	0	108.6	S139 N143	S139-K141 PolarHBondContact O-N 3.19Å; K141-N143 VanDerWaalsContact C-N 3.27Å; K141-N143 PolarHBondContact O-N 2.98Å
142	N	33.3	Very low	33.8	Very low	164 Å²	164	129.7 Å²	129.7	88%	0.877	76%	0.761	S	S	*	*			trans	-55.2	80.2	179.4	-65.5	-50.6	0	0	0	111.9	K144	N142-K144 VanDerWaalsContact C-N 3.26Å; N142-K144 PolarHBondContact O-N 2.62Å
143	N	33.4	Very low	34	Very low	119 Å²	119	131.2 Å²	131.2	64%	0.636	76%	0.761	S	S	*	*			trans	-82.9	78.5	167.7	-86.4	-23.5	0	0	0	108.9	K141 Q145	K141-N143 VanDerWaalsContact C-N 3.27Å; K141-N143 PolarHBondContact O-N 2.98Å; N143-Q145 HydrophobicContact CB-CB 4.43Å; N143-Q145 HydrophobicContact CB-CG 4.46Å; N143-Q145 PolarHBondContact O-N 3.26Å; N143-Q145 PolarHBondContact OD1-NE2 3.09Å
144	K	31.6	Very low	34.5	Very low	209 Å²	209	130.2 Å²	130.2	91%	0.909	75%	0.75	S	S	*	*			trans	-71.3	49	148.7	-79	-173	174.9	-178.1	0	109.5	N142 Q146	N142-K144 VanDerWaalsContact C-N 3.26Å; N142-K144 PolarHBondContact O-N 2.62Å; K144-Q146 PolarHBondContact O-N 2.86Å
145	Q	33	Very low	34.9	Very low	149 Å²	149	127 Å²	127	70%	0.696	73%	0.726	S	S	*	*			trans	-91.5	94.5	173.5	-74.1	-169.3	10.9	0	0	108.3	N143 L147	N143-Q145 HydrophobicContact CB-CB 4.43Å; N143-Q145 HydrophobicContact CB-CG 4.46Å; N143-Q145 PolarHBondContact O-N 3.26Å; N143-Q145 PolarHBondContact OD1-NE2 3.09Å; Q145-L147 PolarHBondContact O-N 3.12Å
146	Q	31.9	Very low	35.4	Very low	158 Å²	158	129 Å²	129	74%	0.738	72%	0.723	S	S	*	*			trans	55.2	69.1	131.7	-99.5	171.2	12.1	0	0	116	K144 T148	K144-Q146 PolarHBondContact O-N 2.86Å; Q146-T148 PolarHBondContact O-N 2.82Å
147	L	35.8	Very low	36.2	Very low	176 Å²	176	128.5 Å²	128.5	92%	0.921	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	28.3	160.7	-156.8	78.3	0	0	0	112.4	Q145	Q145-L147 PolarHBondContact O-N 3.12Å
148	T	36	Very low	36.7	Very low	105 Å²	105	129.8 Å²	129.8	64%	0.644	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.9	12.1	-167.1	55.7	0	0	0	0	115.3	Q146	Q146-T148 PolarHBondContact O-N 2.82Å
149	T	40.5	Very low	37.5	Very low	90 Å²	90	133.9 Å²	133.9	55%	0.552	71%	0.709	S	S	*	*	S	Bend	trans	-142.8	12.6	178.5	-28.4	0	0	0	0	115.5
150	A	40.5	Very low	38	Very low	82 Å²	82	132.3 Å²	132.3	68%	0.678	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-79.3	-18.9	173.1	0	0	0	0	0	113.4	Y152	A150-Y152 VanDerWaalsContact C-N 3.31Å; A150-Y152 PolarHBondContact O-N 3.28Å
151	C	40.3	Very low	38.7	Very low	109 Å²	109	130.6 Å²	130.6	74%	0.736	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-80.4	-1.3	-174.9	-64.5	0	0	0	0	115.3
152	Y	39.9	Very low	39.2	Very low	189 Å²	189	125.6 Å²	125.6	74%	0.741	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-113.1	1.3	-176.4	-66.8	-75.6	0	0	0	115	A150 V154	A150-Y152 VanDerWaalsContact C-N 3.31Å; A150-Y152 PolarHBondContact O-N 3.28Å; Y152-V154 PolarHBondContact O-N 3.33Å
153	N	41.6	Very low	39.8	Very low	139 Å²	139	121.2 Å²	121.2	74%	0.743	65%	0.646	S	S	*	*			trans	-80.1	68.6	174	-79.2	9.4	0	0	0	110.4	P155	N153-P155 VanDerWaalsContact O-CD 3.26Å; N153-P155 WeakPolarHBondContact O-CD 3.26Å
154	V	44.3	Very low	40.2	Very low	91 Å²	91	116.4 Å²	116.4	55%	0.552	62%	0.62	S	S	*	*			trans	-59	119.5	161	178.6	0	0	0	0	106.3	Y152 H156	Y152-V154 PolarHBondContact O-N 3.33Å; V154-H156 PolarHBondContact O-N 2.92Å
155	P	42.8	Very low	40.8	Very low	49 Å²	49	108.1 Å²	108.1	32%	0.318	59%	0.591	S	S	.	*			trans	-62.9	101.5	-178.6	-25.9	38.2	0	0	0	109.8	V120 N153 F157	V120-P155 HydrophobicContact CB-CG 4.37Å; V120-P155 HydrophobicContact CG1-CG 3.88Å; V120-P155 HydrophobicContact CG2-CB 4.4Å; V120-P155 HydrophobicContact CG2-CG 3.69Å; N153-P155 VanDerWaalsContact O-CD 3.26Å; N153-P155 WeakPolarHBondContact O-CD 3.26Å; P155-F157 VanDerWaalsContact C-N 3.31Å; P155-F157 HydrophobicContact CB-CD2 4.41Å; P155-F157 HydrophobicContact CB-CE2 3.95Å; P155-F157 HydrophobicContact CB-CZ 4.19Å; P155-F157 WeakPolarHBondContact O-CD2 3.49Å; P155-F157 PolarHBondContact O-N 2.69Å
156	H	41.8	Very low	41.3	Very low	151 Å²	151	108.1 Å²	108.1	70%	0.699	59%	0.586	S	S	*	*			trans	-75.6	90.6	173.2	-153.8	-81	0	0	0	106.9	V154 Q158	V154-H156 PolarHBondContact O-N 2.92Å; H156-Q158 PolarHBondContact O-N 2.91Å
157	F	45.8	Very low	41.9	Very low	91 Å²	91	103.3 Å²	103.3	40%	0.399	57%	0.57	S	S	.	*			trans	-66.9	104.5	172.9	-67.8	-80.3	0	0	0	107.9	P155 N159 H160	P155-F157 VanDerWaalsContact C-N 3.31Å; P155-F157 HydrophobicContact CB-CD2 4.41Å; P155-F157 HydrophobicContact CB-CE2 3.95Å; P155-F157 HydrophobicContact CB-CZ 4.19Å; P155-F157 WeakPolarHBondContact O-CD2 3.49Å; P155-F157 PolarHBondContact O-N 2.69Å; F157-N159 PolarHBondContact O-N 3.23Å; F157-N159 VanDerWaalsContact O-N 3.13Å; F157-H160 HydrophobicContact CB-CB 3.47Å; F157-H160 VanDerWaalsContact CB-CB 3.47Å; F157-H160 HydrophobicContact CG-CB 4.44Å; F157-H160 PolarHBondContact O-N 2.71Å
158	Q	41.2	Very low	42.2	Very low	171 Å²	171	97.8 Å²	97.8	80%	0.799	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	120.9	170.9	-165	170.8	0.3	0	0	107.4	H156	H156-Q158 PolarHBondContact O-N 2.91Å
159	N	44.1	Very low	42.7	Very low	160 Å²	160	98.2 Å²	98.2	86%	0.856	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	9.7	-173.4	-42.9	-48.3	0	0	0	117.6	F157	F157-N159 PolarHBondContact O-N 3.23Å; F157-N159 VanDerWaalsContact O-N 3.13Å
160	H	39.7	Very low	42.7	Very low	76 Å²	76	99.7 Å²	99.7	35%	0.352	56%	0.559	S	S	.	*	S	Bend	trans	-99.8	130	170.6	-137	-72.7	0	0	0	109.6	F157 V162 L164	F157-H160 HydrophobicContact CB-CB 3.47Å; F157-H160 VanDerWaalsContact CB-CB 3.47Å; F157-H160 HydrophobicContact CG-CB 4.44Å; F157-H160 PolarHBondContact O-N 2.71Å; H160-V162 PolarHBondContact O-N 3.48Å; H160-V162 VanDerWaalsContact O-N 3.11Å; H160-L164 VanDerWaalsContact CE1-CD1 3.41Å; H160-L164 WeakPolarHBondContact CE1-CD1 3.34Å
161	P	44.9	Very low	42.7	Very low	84 Å²	84	103.9 Å²	103.9	55%	0.545	57%	0.565	S	S	.	*			trans	-57.8	123.5	178.4	21.5	-31.6	0	0	0	109.2	A163 L164	P161-A163 PolarHBondContact O-N 2.82Å; P161-L164 HydrophobicContact CG-CD1 4.15Å; P161-L164 PolarHBondContact O-N 3.34Å
162	V	41.5	Very low	42.5	Very low	75 Å²	75	111.9 Å²	111.9	46%	0.455	59%	0.587	S	S	.	*	G	3₁₀ helix	trans	-49.7	-26.6	-176.2	171.8	0	0	0	0	112.4	H160 L164 A165 Y166	H160-V162 PolarHBondContact O-N 3.48Å; H160-V162 VanDerWaalsContact O-N 3.11Å; V162-L164 PolarHBondContact O-N 3.18Å; V162-A165 PolarHBondContact O-N 2.79Å; V162-Y166 HydrophobicContact CG1-CE2 3.8Å
163	A	45.2	Very low	42.7	Very low	73 Å²	73	108.1 Å²	108.1	60%	0.603	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-55.1	-23.1	175.5	0	0	0	0	0	114.7	P161	P161-A163 PolarHBondContact O-N 2.82Å
164	L	42.7	Very low	42.7	Very low	17 Å²	17	106.4 Å²	106.4	9%	0.089	57%	0.571	C	S	.	*	G	3₁₀ helix	trans	-96.2	-7	179.6	-64	172.1	0	0	0	113.9	Y31 F113 H160 P161 V162	Y31-L164 HydrophobicContact CD2-CD2 3.55Å; Y31-L164 HydrophobicContact CE2-CD2 3.47Å; Y31-L164 VanDerWaalsContact CE2-CD2 3.47Å; F113-L164 HydrophobicContact CB-CD2 3.83Å; F113-L164 HydrophobicContact CD2-CB 4.44Å; F113-L164 HydrophobicContact CD2-CD2 4.24Å; F113-L164 WeakPolarHBondContact CD2-O 3.39Å; F113-L164 WeakPolarHBondContact CE2-O 3.43Å; F113-L164 HydrophobicContact CG-CD2 4.5Å; H160-L164 VanDerWaalsContact CE1-CD1 3.41Å; H160-L164 WeakPolarHBondContact CE1-CD1 3.34Å; P161-L164 HydrophobicContact CG-CD1 4.15Å; P161-L164 PolarHBondContact O-N 3.34Å; V162-L164 PolarHBondContact O-N 3.18Å
165	A	42.8	Very low	42.6	Very low	36 Å²	36	107.3 Å²	107.3	30%	0.298	57%	0.572	S	S	.	*			trans	-84.1	-14.3	-172.1	0	0	0	0	0	114.2	V162 S167	V162-A165 PolarHBondContact O-N 2.79Å; A165-S167 PolarHBondContact O-N 2.91Å
166	Y	43.9	Very low	42.6	Very low	148 Å²	148	110.7 Å²	110.7	58%	0.58	59%	0.587	S	S	*	*			trans	-89.5	83.4	-177.8	-57.7	-76.8	0	0	0	111.2	F113 V162	F113-Y166 WeakPolarHBondContact CE2-O 3.3Å; F113-Y166 WeakPolarHBondContact CZ-O 3.4Å; V162-Y166 HydrophobicContact CG1-CE2 3.8Å
167	S	43.8	Very low	42.7	Very low	58 Å²	58	108.2 Å²	108.2	41%	0.406	58%	0.579	S	S	.	*			trans	-66.4	136	150.8	-165.6	0	0	0	0	108.1	N117 A165 V169	N117-S167 VanDerWaalsContact OD1-CB 3.27Å; N117-S167 WeakPolarHBondContact OD1-CB 3.49Å; A165-S167 PolarHBondContact O-N 2.91Å; S167-V169 PolarHBondContact O-N 2.72Å
168	P	42.9	Very low	42.5	Very low	60 Å²	60	109.3 Å²	109.3	39%	0.39	59%	0.592	S	S	.	*			trans	-57.1	136.2	168.2	-19.6	30.8	0	0	0	109.9	H32 C170	H32-P168 HydrophobicContact CB-CG 4.1Å; H32-P168 VanDerWaalsContact CD2-CG 3.41Å; H32-P168 WeakPolarHBondContact CD2-CG 2.95Å; P168-C170 PolarHBondContact O-N 3.07Å
169	V	46.8	Very low	42.6	Very low	113 Å²	113	104.9 Å²	104.9	69%	0.685	58%	0.577	S	S	*	*			trans	-70.6	108.3	165.8	-177.5	0	0	0	0	106.3	S167 H171	S167-V169 PolarHBondContact O-N 2.72Å; V169-H171 PolarHBondContact O-N 3.3Å; V169-H171 VanDerWaalsContact O-N 3.11Å
170	C	40.5	Very low	42.5	Very low	122 Å²	122	100.7 Å²	100.7	82%	0.824	56%	0.555	S	S	*	*			trans	-70.9	104.1	171.9	-66.4	0	0	0	0	108.6	P168	P168-C170 PolarHBondContact O-N 3.07Å
171	H	41.1	Very low	42.7	Very low	170 Å²	170	102.8 Å²	102.8	79%	0.787	57%	0.572	S	S	*	*			trans	-75.7	120.7	161.3	-61.4	-76.6	0	0	0	107.4	V169	V169-H171 PolarHBondContact O-N 3.3Å; V169-H171 VanDerWaalsContact O-N 3.11Å
172	K	36.2	Very low	42.5	Very low	277 Å²	277	104.5 Å²	104.5	100%	1.204	58%	0.575	S	S	*	*			trans	-80	0	171.6	-175.5	175.9	178.1	176.9	0	110.1

Retrieved 172 of 172 residues in 64.9 ms (Link to these results)

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