A0A5K4F7B1_SCHMA Loading...

MCM_lid domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7B1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 120 aa.

						>A0A5K4F7B1_SCHMA|A0A5K4F7B1
MDGLLADFCLSATCNLETMKYSGKSSLPNMKIYSSLLDACKNAPTVKMEENASKLLQVYYMAMRRSSVRDRKTAPASALPTLFKLAKSNAKINGRIVANELDATIAIYIYDTFISNQTGR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.4	Very low	62	Low	190 Å²	190	77.4 Å²	77.4	94%	0.936	44%	0.441	S	S	*	.				0	-41.6	0	-138.1	-172.5	-72	0	0	110.4	G3	M1-G3 PolarHBondContact O-N 3.33Å
2	D	58.2	Low	62.3	Low	135 Å²	135	72.3 Å²	72.3	72%	0.722	42%	0.415	S	S	*	.	H	α-helix	trans	-66.8	-35	-177.6	-54.3	-38.4	0	0	0	115.1	L4 L5 A6	D2-L4 PolarHBondContact O-N 2.68Å; D2-L5 WeakPolarHBondContact O-CB 3.17Å; D2-L5 PolarHBondContact O-N 3.03Å; D2-L5 VanDerWaalsContact O-N 3.14Å; D2-A6 PolarHBondContact O-N 3Å
3	G	59.7	Low	62.2	Low	47 Å²	47	69.2 Å²	69.2	49%	0.485	40%	0.399	S	S	.	.	H	α-helix	trans	-61.2	-41.9	178.1	0	0	0	0	0	113.6	M1 L5 A6 D7	M1-G3 PolarHBondContact O-N 3.33Å; G3-L5 VanDerWaalsContact C-N 3.25Å; G3-L5 PolarHBondContact O-N 3.43Å; G3-A6 PolarHBondContact O-N 3.27Å; G3-D7 PolarHBondContact O-N 3Å
4	L	63.8	Low	61.7	Low	105 Å²	105	65.6 Å²	65.6	55%	0.55	38%	0.379	S	S	.	.	H	α-helix	trans	-63.9	-32.8	175.8	-78.4	163.2	0	0	0	112.2	D2 F8	D2-L4 PolarHBondContact O-N 2.68Å; L4-F8 WeakPolarHBondContact O-CB 3.04Å; L4-F8 PolarHBondContact O-N 2.67Å
5	L	64.9	Low	61.4	Low	48 Å²	48	70.5 Å²	70.5	25%	0.251	40%	0.403	S	S	.	.	H	α-helix	trans	-72.9	-41.8	177.3	-158.8	78.2	0	0	0	111.3	D2 G3 F8 C9 Y33	D2-L5 WeakPolarHBondContact O-CB 3.17Å; D2-L5 PolarHBondContact O-N 3.03Å; D2-L5 VanDerWaalsContact O-N 3.14Å; G3-L5 VanDerWaalsContact C-N 3.25Å; G3-L5 PolarHBondContact O-N 3.43Å; L5-F8 PolarHBondContact O-N 2.94Å; L5-C9 PolarHBondContact O-N 2.94Å; L5-C9 PolarHBondContact O-SG 3.19Å; L5-Y33 HydrophobicContact CD1-CD2 3.55Å; L5-Y33 HydrophobicContact CD1-CE2 3.55Å; L5-Y33 HydrophobicContact CD1-CG 4.25Å; L5-Y33 HydrophobicContact CD2-CD2 4.49Å; L5-Y33 HydrophobicContact CD2-CE1 4.25Å; L5-Y33 HydrophobicContact CD2-CE2 3.81Å; L5-Y33 HydrophobicContact CG-CD2 4.42Å; L5-Y33 HydrophobicContact CG-CE2 4.2Å
6	A	65.5	Low	60.3	Low	50 Å²	50	73.1 Å²	73.1	41%	0.413	42%	0.415	S	S	.	.	H	α-helix	trans	-60.9	-45.3	174.5	0	0	0	0	0	111.3	D2 G3 F8 C9 L10	D2-A6 PolarHBondContact O-N 3Å; G3-A6 PolarHBondContact O-N 3.27Å; A6-F8 PolarHBondContact O-N 3.27Å; A6-C9 PolarHBondContact O-N 3.22Å; A6-L10 WeakPolarHBondContact O-CB 3.11Å; A6-L10 WeakPolarHBondContact O-CG 3.31Å; A6-L10 PolarHBondContact O-N 2.69Å
7	D	62.7	Low	59.3	Low	94 Å²	94	80.2 Å²	80.2	50%	0.503	44%	0.444	S	S	.	.	H	α-helix	trans	-63.2	-40.4	176.5	-78.2	-19.9	0	0	0	112.3	G3 L10 S11	G3-D7 PolarHBondContact O-N 3Å; D7-L10 PolarHBondContact O-N 2.88Å; D7-S11 VanDerWaalsContact O-CB 3.28Å; D7-S11 WeakPolarHBondContact O-CB 3.4Å; D7-S11 PolarHBondContact O-N 3.13Å; D7-S11 PolarHBondContact O-OG 3.33Å
8	F	65.3	Low	58.6	Low	52 Å²	52	81.1 Å²	81.1	23%	0.228	45%	0.452	C	S	.	.	H	α-helix	trans	-62.4	-47.1	175	179.7	-103.4	0	0	0	112.1	L4 L5 A6 S11 A12 M30 L37	L4-F8 WeakPolarHBondContact O-CB 3.04Å; L4-F8 PolarHBondContact O-N 2.67Å; L5-F8 PolarHBondContact O-N 2.94Å; A6-F8 PolarHBondContact O-N 3.27Å; F8-S11 WeakPolarHBondContact CA-OG 3.41Å; F8-S11 PolarHBondContact O-OG 2.9Å; F8-A12 VanDerWaalsContact O-CB 3.28Å; F8-A12 WeakPolarHBondContact O-CB 3.37Å; F8-A12 PolarHBondContact O-N 3.34Å; F8-M30 HydrophobicContact CB-CE 3.86Å; F8-M30 HydrophobicContact CD1-CE 4.34Å; F8-M30 HydrophobicContact CD2-CE 3.78Å; F8-M30 HydrophobicContact CD2-SD 4.49Å; F8-M30 HydrophobicContact CE2-CE 4.44Å; F8-M30 HydrophobicContact CG-CE 3.73Å; F8-L37 HydrophobicContact CD1-CD1 3.77Å; F8-L37 HydrophobicContact CE1-CD1 3.39Å; F8-L37 HydrophobicContact CZ-CD1 4.17Å
9	C	63.4	Low	57.6	Low	34 Å²	34	85 Å²	85	23%	0.23	47%	0.468	C	S	.	.	H	α-helix	trans	-65.2	-41.1	178.1	-72.5	0	0	0	0	112.2	L5 A6 T13	L5-C9 PolarHBondContact O-N 2.94Å; L5-C9 PolarHBondContact O-SG 3.19Å; A6-C9 PolarHBondContact O-N 3.22Å; C9-T13 WeakPolarHBondContact O-CB 3.42Å; C9-T13 PolarHBondContact O-N 3.47Å; C9-T13 PolarHBondContact O-OG1 3.46Å
10	L	62.5	Low	56.7	Low	78 Å²	78	91.2 Å²	91.2	41%	0.408	49%	0.49	S	S	.	.	H	α-helix	trans	-65.6	-48.6	178	-83.4	164	0	0	0	111.8	A6 D7 A12 T13 C14	A6-L10 WeakPolarHBondContact O-CB 3.11Å; A6-L10 WeakPolarHBondContact O-CG 3.31Å; A6-L10 PolarHBondContact O-N 2.69Å; D7-L10 PolarHBondContact O-N 2.88Å; L10-A12 PolarHBondContact O-N 3.24Å; L10-T13 PolarHBondContact O-N 3.25Å; L10-T13 PolarHBondContact O-OG1 2.87Å; L10-C14 WeakPolarHBondContact O-CB 3.46Å; L10-C14 PolarHBondContact O-N 3.27Å
11	S	66.5	Low	56	Low	18 Å²	18	95 Å²	95	13%	0.126	50%	0.499	C	S	.	.	H	α-helix	trans	-61.5	-44.1	179.4	52.4	0	0	0	0	111.9	D7 F8 N15 L16 T18	D7-S11 VanDerWaalsContact O-CB 3.28Å; D7-S11 WeakPolarHBondContact O-CB 3.4Å; D7-S11 PolarHBondContact O-N 3.13Å; D7-S11 PolarHBondContact O-OG 3.33Å; F8-S11 WeakPolarHBondContact CA-OG 3.41Å; F8-S11 PolarHBondContact O-OG 2.9Å; S11-N15 PolarHBondContact O-N 3.13Å; S11-L16 PolarHBondContact O-N 3.46Å; S11-T18 WeakPolarHBondContact OG-CG2 3.29Å
12	A	65.4	Low	55.3	Low	16 Å²	16	92.2 Å²	92.2	13%	0.132	50%	0.498	C	S	.	.	H	α-helix	trans	-67.9	-37.4	178.8	0	0	0	0	0	113.7	F8 L10 L37 K41	F8-A12 VanDerWaalsContact O-CB 3.28Å; F8-A12 WeakPolarHBondContact O-CB 3.37Å; F8-A12 PolarHBondContact O-N 3.34Å; L10-A12 PolarHBondContact O-N 3.24Å; A12-L37 HydrophobicContact CB-CB 4.3Å; A12-L37 HydrophobicContact CB-CD1 3.63Å; A12-L37 HydrophobicContact CB-CD2 4.07Å; A12-L37 HydrophobicContact CB-CG 4.22Å; A12-K41 WeakPolarHBondContact O-CE 3.35Å; A12-K41 PolarHBondContact O-NZ 2.89Å
13	T	61.4	Low	54.4	Low	33 Å²	33	88.2 Å²	88.2	20%	0.202	49%	0.489	C	S	.	.	H	α-helix	trans	-83.2	-29.1	179.6	47.6	0	0	0	0	113.6	C9 L10 L37 I92	C9-T13 WeakPolarHBondContact O-CB 3.42Å; C9-T13 PolarHBondContact O-N 3.47Å; C9-T13 PolarHBondContact O-OG1 3.46Å; L10-T13 PolarHBondContact O-N 3.25Å; L10-T13 PolarHBondContact O-OG1 2.87Å; T13-L37 HydrophobicContact CG2-CD2 3.53Å; T13-I92 HydrophobicContact CG2-CD1 4.27Å
14	C	55.7	Low	53.3	Low	18 Å²	18	96.4 Å²	96.4	12%	0.122	51%	0.511	C	S	.	.	H	α-helix	trans	-100.4	-1.3	-172.9	-65.1	0	0	0	0	114.8	L10 L16 K84	L10-C14 WeakPolarHBondContact O-CB 3.46Å; L10-C14 PolarHBondContact O-N 3.27Å; C14-L16 HydrophobicContact CB-CD1 3.76Å; C14-L16 HydrophobicContact CB-CG 4.19Å; C14-L16 PolarHBondContact O-N 2.91Å; C14-K84 PolarHBondContact O-NZ 2.88Å
15	N	56.4	Low	52.3	Low	139 Å²	139	94.7 Å²	94.7	74%	0.743	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	36.1	-169.8	-70.6	-8.9	0	0	0	112.2	S11	S11-N15 PolarHBondContact O-N 3.13Å
16	L	43.7	Very low	51.4	Low	113 Å²	113	98.1 Å²	98.1	59%	0.592	54%	0.536	S	S	*	.			trans	-81.1	131.9	171.2	-81.6	153.3	0	0	0	107.7	S11 C14 T18	S11-L16 PolarHBondContact O-N 3.46Å; C14-L16 HydrophobicContact CB-CD1 3.76Å; C14-L16 HydrophobicContact CB-CG 4.19Å; C14-L16 PolarHBondContact O-N 2.91Å; L16-T18 PolarHBondContact O-N 2.84Å
17	E	43.8	Very low	50.7	Low	194 Å²	194	100 Å²	100	91%	0.907	54%	0.538	S	S	*	.			trans	-53.6	112.4	175.7	-73	-172.9	160.3	0	0	109	M19	E17-M19 PolarHBondContact O-N 2.89Å; E17-M19 VanDerWaalsContact O-N 3.08Å
18	T	45.7	Very low	50.5	Low	95 Å²	95	100 Å²	100	58%	0.583	54%	0.543	S	S	*	.			trans	-58.6	116.2	173.3	41.7	0	0	0	0	107.8	S11 L16 K20	S11-T18 WeakPolarHBondContact OG-CG2 3.29Å; L16-T18 PolarHBondContact O-N 2.84Å; T18-K20 PolarHBondContact O-N 3.41Å; T18-K20 VanDerWaalsContact O-N 3.07Å
19	M	41	Very low	50.2	Low	156 Å²	156	101.9 Å²	101.9	77%	0.768	56%	0.556	S	S	*	*			trans	-49.4	122.6	162.1	-88.1	-159.5	169.4	0	0	107.3	E17 Y21	E17-M19 PolarHBondContact O-N 2.89Å; E17-M19 VanDerWaalsContact O-N 3.08Å; M19-Y21 HydrophobicContact CB-CD2 4.26Å; M19-Y21 HydrophobicContact CB-CE2 4.19Å; M19-Y21 PolarHBondContact O-N 2.87Å
20	K	39.1	Very low	50.2	Low	208 Å²	208	102.9 Å²	102.9	90%	0.904	56%	0.558	S	S	*	*			trans	-61.7	87.3	179.1	-77.6	-178.9	177	175.2	0	109	T18 S22	T18-K20 PolarHBondContact O-N 3.41Å; T18-K20 VanDerWaalsContact O-N 3.07Å; K20-S22 PolarHBondContact O-N 3.43Å; K20-S22 VanDerWaalsContact O-N 3.11Å
21	Y	41.3	Very low	50.5	Low	173 Å²	173	106.9 Å²	106.9	68%	0.678	57%	0.572	S	S	*	*			trans	-75.4	100.4	167.5	-89.7	-84.9	0	0	0	107.8	M19 G23	M19-Y21 HydrophobicContact CB-CD2 4.26Å; M19-Y21 HydrophobicContact CB-CE2 4.19Å; M19-Y21 PolarHBondContact O-N 2.87Å; Y21-G23 PolarHBondContact O-N 3.23Å
22	S	36.3	Very low	50.8	Low	130 Å²	130	110.9 Å²	110.9	91%	0.909	59%	0.591	S	S	*	*			trans	-71.4	72.2	169.1	66.4	0	0	0	0	109.4	K20	K20-S22 PolarHBondContact O-N 3.43Å; K20-S22 VanDerWaalsContact O-N 3.11Å
23	G	39.2	Very low	51	Low	51 Å²	51	114.2 Å²	114.2	53%	0.526	60%	0.601	S	S	.	*			trans	-146.2	107.1	175.7	0	0	0	0	0	108.6	Y21 S25	Y21-G23 PolarHBondContact O-N 3.23Å; G23-S25 PolarHBondContact O-N 2.76Å
24	K	36.3	Very low	51.6	Low	220 Å²	220	114.4 Å²	114.4	96%	0.957	60%	0.604	S	S	*	*			trans	-58.4	87.6	169	-70.3	177.1	178	176.3	0	108.6
25	S	42.3	Very low	52.6	Low	68 Å²	68	117.1 Å²	117.1	48%	0.476	62%	0.622	S	S	.	*			trans	-109.2	81.4	165.8	73.1	0	0	0	0	108.5	G23 L27	G23-S25 PolarHBondContact O-N 2.76Å; S25-L27 PolarHBondContact O-N 3.39Å
26	S	46	Very low	53.5	Low	120 Å²	120	114.8 Å²	114.8	84%	0.839	61%	0.609	S	S	*	*			trans	-71.2	71.1	163.5	55.6	0	0	0	0	108.7
27	L	51.4	Low	55.1	Low	89 Å²	89	109.8 Å²	109.8	47%	0.466	58%	0.584	S	S	.	*			trans	-90.5	126.6	170.2	-88.9	148.4	0	0	0	108.2	S25 N29 M30	S25-L27 PolarHBondContact O-N 3.39Å; L27-N29 PolarHBondContact O-N 3.12Å; L27-M30 WeakPolarHBondContact O-CB 3.48Å; L27-M30 PolarHBondContact O-N 3.46Å
28	P	58.5	Low	56.8	Low	95 Å²	95	104.4 Å²	104.4	62%	0.617	56%	0.561	S	S	*	*	H	α-helix	trans	-49	-35.4	-179.7	-26.7	32.3	0	0	0	113.2	M30 K31 I32	P28-M30 VanDerWaalsContact C-N 3.31Å; P28-M30 PolarHBondContact O-N 3.13Å; P28-K31 PolarHBondContact O-N 3.26Å; P28-I32 PolarHBondContact O-N 2.91Å
29	N	57.8	Low	58.4	Low	92 Å²	92	102.9 Å²	102.9	49%	0.492	56%	0.558	S	S	.	*	H	α-helix	trans	-62.4	-34.5	178.4	-68.1	-9.3	0	0	0	112.8	L27 K31 I32 Y33	L27-N29 PolarHBondContact O-N 3.12Å; N29-K31 VanDerWaalsContact C-N 3.28Å; N29-K31 PolarHBondContact O-N 3.17Å; N29-I32 WeakPolarHBondContact O-CB 3.44Å; N29-I32 PolarHBondContact O-N 3.47Å; N29-I32 VanDerWaalsContact O-N 3.07Å; N29-Y33 HydrophobicContact CB-CD2 4.21Å; N29-Y33 HydrophobicContact CB-CE2 3.97Å; N29-Y33 WeakPolarHBondContact O-CD2 3.39Å; N29-Y33 PolarHBondContact O-N 3.33Å
30	M	63	Low	60.2	Low	55 Å²	55	96.1 Å²	96.1	27%	0.271	53%	0.526	S	S	.	.	H	α-helix	trans	-63.4	-33.2	177.4	-83.9	-148.1	148.9	0	0	112.7	F8 L27 P28 I32 S34	F8-M30 HydrophobicContact CB-CE 3.86Å; F8-M30 HydrophobicContact CD1-CE 4.34Å; F8-M30 HydrophobicContact CD2-CE 3.78Å; F8-M30 HydrophobicContact CD2-SD 4.49Å; F8-M30 HydrophobicContact CE2-CE 4.44Å; F8-M30 HydrophobicContact CG-CE 3.73Å; L27-M30 WeakPolarHBondContact O-CB 3.48Å; L27-M30 PolarHBondContact O-N 3.46Å; P28-M30 VanDerWaalsContact C-N 3.31Å; P28-M30 PolarHBondContact O-N 3.13Å; M30-I32 VanDerWaalsContact C-N 3.33Å; M30-S34 VanDerWaalsContact O-CB 3.26Å; M30-S34 WeakPolarHBondContact O-CB 3.44Å; M30-S34 PolarHBondContact O-N 2.94Å; M30-S34 PolarHBondContact O-OG 3.48Å
31	K	68.8	Low	62.1	Low	162 Å²	162	90.9 Å²	90.9	70%	0.704	50%	0.503	S	S	*	.	H	α-helix	trans	-66.5	-36.4	173.3	-74	-173	176.6	-177.6	0	112.1	P28 N29 S34 S35	P28-K31 PolarHBondContact O-N 3.26Å; N29-K31 VanDerWaalsContact C-N 3.28Å; N29-K31 PolarHBondContact O-N 3.17Å; K31-S34 WeakPolarHBondContact CA-OG 3.35Å; K31-S34 PolarHBondContact O-OG 3.05Å; K31-S35 WeakPolarHBondContact O-CB 3.41Å; K31-S35 PolarHBondContact O-N 3.4Å; K31-S35 PolarHBondContact O-OG 3.44Å
32	I	73.9	Confident	63.9	Low	102 Å²	102	89.4 Å²	89.4	52%	0.523	51%	0.507	S	S	.	.	H	α-helix	trans	-67.5	-50	177.2	-59.9	173.4	0	0	0	109.1	P28 N29 M30 S34 S35 L36	P28-I32 PolarHBondContact O-N 2.91Å; N29-I32 WeakPolarHBondContact O-CB 3.44Å; N29-I32 PolarHBondContact O-N 3.47Å; N29-I32 VanDerWaalsContact O-N 3.07Å; M30-I32 VanDerWaalsContact C-N 3.33Å; I32-S34 PolarHBondContact O-N 2.73Å; I32-S35 PolarHBondContact O-N 2.82Å; I32-L36 WeakPolarHBondContact O-CB 3.44Å; I32-L36 PolarHBondContact O-N 3.42Å
33	Y	68.7	Low	65.7	Low	85 Å²	85	85 Å²	85	33%	0.333	48%	0.478	S	S	.	.	H	α-helix	trans	-63.6	-41.3	178.3	-70	-67.1	0	0	0	112.6	L5 N29 S35 L36 L37	L5-Y33 HydrophobicContact CD1-CD2 3.55Å; L5-Y33 HydrophobicContact CD1-CE2 3.55Å; L5-Y33 HydrophobicContact CD1-CG 4.25Å; L5-Y33 HydrophobicContact CD2-CD2 4.49Å; L5-Y33 HydrophobicContact CD2-CE1 4.25Å; L5-Y33 HydrophobicContact CD2-CE2 3.81Å; L5-Y33 HydrophobicContact CG-CD2 4.42Å; L5-Y33 HydrophobicContact CG-CE2 4.2Å; N29-Y33 HydrophobicContact CB-CD2 4.21Å; N29-Y33 HydrophobicContact CB-CE2 3.97Å; N29-Y33 WeakPolarHBondContact O-CD2 3.39Å; N29-Y33 PolarHBondContact O-N 3.33Å; Y33-S35 VanDerWaalsContact C-N 3.33Å; Y33-S35 PolarHBondContact O-N 3.14Å; Y33-L36 PolarHBondContact O-N 3.33Å; Y33-L37 WeakPolarHBondContact O-CB 3.32Å; Y33-L37 VanDerWaalsContact O-CD1 3.32Å; Y33-L37 WeakPolarHBondContact O-CD1 3.4Å; Y33-L37 WeakPolarHBondContact O-CG 3.33Å; Y33-L37 PolarHBondContact O-N 3.41Å
34	S	74.3	Confident	67.6	Low	38 Å²	38	86.8 Å²	86.8	27%	0.266	48%	0.48	S	S	.	.	H	α-helix	trans	-60.3	-45	175.5	68	0	0	0	0	111.1	M30 K31 I32 L36 L37 D38	M30-S34 VanDerWaalsContact O-CB 3.26Å; M30-S34 WeakPolarHBondContact O-CB 3.44Å; M30-S34 PolarHBondContact O-N 2.94Å; M30-S34 PolarHBondContact O-OG 3.48Å; K31-S34 WeakPolarHBondContact CA-OG 3.35Å; K31-S34 PolarHBondContact O-OG 3.05Å; I32-S34 PolarHBondContact O-N 2.73Å; S34-L36 VanDerWaalsContact C-N 3.33Å; S34-L36 PolarHBondContact O-N 2.89Å; S34-L37 PolarHBondContact O-N 3.22Å; S34-D38 WeakPolarHBondContact O-CB 3.38Å; S34-D38 VanDerWaalsContact O-CG 3.26Å; S34-D38 PolarHBondContact O-N 2.91Å
35	S	76.5	Confident	69.9	Low	74 Å²	74	82.3 Å²	82.3	52%	0.517	47%	0.472	S	S	.	.	H	α-helix	trans	-63.1	-40.1	177.9	-56.7	0	0	0	0	111.9	K31 I32 Y33 D38 A39	K31-S35 WeakPolarHBondContact O-CB 3.41Å; K31-S35 PolarHBondContact O-N 3.4Å; K31-S35 PolarHBondContact O-OG 3.44Å; I32-S35 PolarHBondContact O-N 2.82Å; Y33-S35 VanDerWaalsContact C-N 3.33Å; Y33-S35 PolarHBondContact O-N 3.14Å; S35-D38 PolarHBondContact O-N 3.27Å; S35-A39 WeakPolarHBondContact O-CB 3.41Å; S35-A39 PolarHBondContact O-N 3.18Å
36	L	76.3	Confident	72.1	Confident	90 Å²	90	79.5 Å²	79.5	47%	0.471	45%	0.452	S	S	.	.	H	α-helix	trans	-68.1	-40.7	178.3	-154.6	146.3	0	0	0	111.1	I32 Y33 S34 A39 C40	I32-L36 WeakPolarHBondContact O-CB 3.44Å; I32-L36 PolarHBondContact O-N 3.42Å; Y33-L36 PolarHBondContact O-N 3.33Å; S34-L36 VanDerWaalsContact C-N 3.33Å; S34-L36 PolarHBondContact O-N 2.89Å; L36-A39 PolarHBondContact O-N 3.04Å; L36-C40 WeakPolarHBondContact O-CB 3.45Å; L36-C40 PolarHBondContact O-N 2.95Å; L36-C40 PolarHBondContact O-SG 3.27Å; L36-C40 VanDerWaalsContact O-SG 3.32Å
37	L	76.9	Confident	74.4	Confident	9 Å²	9	81.2 Å²	81.2	5%	0.047	44%	0.444	C	S	.	.	H	α-helix	trans	-65.8	-38.9	174.3	-72.9	160.2	0	0	0	112.1	F8 A12 T13 Y33 S34 C40 K41	F8-L37 HydrophobicContact CD1-CD1 3.77Å; F8-L37 HydrophobicContact CE1-CD1 3.39Å; F8-L37 HydrophobicContact CZ-CD1 4.17Å; A12-L37 HydrophobicContact CB-CB 4.3Å; A12-L37 HydrophobicContact CB-CD1 3.63Å; A12-L37 HydrophobicContact CB-CD2 4.07Å; A12-L37 HydrophobicContact CB-CG 4.22Å; T13-L37 HydrophobicContact CG2-CD2 3.53Å; Y33-L37 WeakPolarHBondContact O-CB 3.32Å; Y33-L37 VanDerWaalsContact O-CD1 3.32Å; Y33-L37 WeakPolarHBondContact O-CD1 3.4Å; Y33-L37 WeakPolarHBondContact O-CG 3.33Å; Y33-L37 PolarHBondContact O-N 3.41Å; S34-L37 PolarHBondContact O-N 3.22Å; L37-C40 CarbonylContact O-C 3.57Å; L37-C40 PolarHBondContact O-N 3.32Å; L37-K41 WeakPolarHBondContact O-CG 3.42Å; L37-K41 PolarHBondContact O-N 3.47Å
38	D	80.3	Confident	76.5	Confident	81 Å²	81	78.9 Å²	78.9	43%	0.433	43%	0.431	S	S	.	.	H	α-helix	trans	-67	-41.1	175.3	-72.7	-23.8	0	0	0	111.2	S34 S35 C40 K41 N42	S34-D38 WeakPolarHBondContact O-CB 3.38Å; S34-D38 VanDerWaalsContact O-CG 3.26Å; S34-D38 PolarHBondContact O-N 2.91Å; S35-D38 PolarHBondContact O-N 3.27Å; D38-C40 VanDerWaalsContact C-N 3.35Å; D38-C40 PolarHBondContact O-N 2.96Å; D38-K41 PolarHBondContact O-N 3.38Å; D38-N42 PolarHBondContact O-N 3.05Å; D38-N42 PolarHBondContact O-ND2 2.99Å
39	A	78.1	Confident	78.3	Confident	62 Å²	62	78.1 Å²	78.1	51%	0.512	42%	0.419	S	S	.	.	H	α-helix	trans	-60.1	-45.5	171.4	0	0	0	0	0	111.2	S35 L36 K41 N42 A43	S35-A39 WeakPolarHBondContact O-CB 3.41Å; S35-A39 PolarHBondContact O-N 3.18Å; L36-A39 PolarHBondContact O-N 3.04Å; A39-K41 PolarHBondContact O-N 3.46Å; A39-N42 PolarHBondContact O-N 3.28Å; A39-A43 PolarHBondContact O-N 3.37Å
40	C	79.1	Confident	80.2	Confident	14 Å²	14	80 Å²	80	10%	0.095	43%	0.425	C	S	.	.	H	α-helix	trans	-61.1	-42	173.8	-72.5	0	0	0	0	111.4	L36 L37 D38 N42 A43 K91	L36-C40 WeakPolarHBondContact O-CB 3.45Å; L36-C40 PolarHBondContact O-N 2.95Å; L36-C40 PolarHBondContact O-SG 3.27Å; L36-C40 VanDerWaalsContact O-SG 3.32Å; L37-C40 CarbonylContact O-C 3.57Å; L37-C40 PolarHBondContact O-N 3.32Å; D38-C40 VanDerWaalsContact C-N 3.35Å; D38-C40 PolarHBondContact O-N 2.96Å; C40-N42 VanDerWaalsContact C-N 3.32Å; C40-N42 PolarHBondContact O-N 2.88Å; C40-A43 WeakPolarHBondContact O-CB 3.32Å; C40-A43 PolarHBondContact O-N 2.92Å; C40-K91 HydrophobicContact CB-CG 4.39Å; C40-K91 WeakPolarHBondContact O-CD 3.43Å; C40-K91 WeakPolarHBondContact O-CE 3.31Å; C40-K91 PolarHBondContact O-NZ 3.02Å
41	K	78.4	Confident	81.8	Confident	98 Å²	98	81.9 Å²	81.9	43%	0.426	44%	0.436	S	S	.	.	H	α-helix	trans	-59.4	-43.9	178.2	-80.7	174.7	-179	173.4	0	111.8	A12 L37 D38 A39 A43 K91	A12-K41 WeakPolarHBondContact O-CE 3.35Å; A12-K41 PolarHBondContact O-NZ 2.89Å; L37-K41 WeakPolarHBondContact O-CG 3.42Å; L37-K41 PolarHBondContact O-N 3.47Å; D38-K41 PolarHBondContact O-N 3.38Å; A39-K41 PolarHBondContact O-N 3.46Å; K41-A43 VanDerWaalsContact C-N 3.3Å; K41-A43 PolarHBondContact O-N 3.29Å; K41-K91 PolarHBondContact O-NZ 3.37Å
42	N	79	Confident	83.2	Confident	142 Å²	142	74.1 Å²	74.1	76%	0.759	40%	0.403	S	S	*	.	H	α-helix	trans	-76.8	-14.1	-179.8	-64.4	-30.8	0	0	0	113.8	D38 A39 C40	D38-N42 PolarHBondContact O-N 3.05Å; D38-N42 PolarHBondContact O-ND2 2.99Å; A39-N42 PolarHBondContact O-N 3.28Å; C40-N42 VanDerWaalsContact C-N 3.32Å; C40-N42 PolarHBondContact O-N 2.88Å
43	A	75.1	Confident	84.3	Confident	38 Å²	38	70.6 Å²	70.6	31%	0.314	39%	0.387	S	S	.	.	S	Bend	trans	-65.9	152.5	178.6	0	0	0	0	0	112.4	A39 C40 K41 K91	A39-A43 PolarHBondContact O-N 3.37Å; C40-A43 WeakPolarHBondContact O-CB 3.32Å; C40-A43 PolarHBondContact O-N 2.92Å; K41-A43 VanDerWaalsContact C-N 3.3Å; K41-A43 PolarHBondContact O-N 3.29Å; A43-K91 VanDerWaalsContact O-CE 3.23Å; A43-K91 WeakPolarHBondContact O-CE 3.27Å; A43-K91 PolarHBondContact O-NZ 2.99Å
44	P	77.8	Confident	85.7	Confident	88 Å²	88	71.3 Å²	71.3	57%	0.571	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-52.1	153.2	-176.6	-25.9	33.5	0	0	0	113.5	V46 I96	P44-V46 PolarHBondContact O-N 3.34Å; P44-I96 HydrophobicContact CB-CG2 4.37Å; P44-I96 HydrophobicContact CG-CG2 4.47Å
45	T	84.7	Confident	86.8	Confident	127 Å²	127	72.5 Å²	72.5	78%	0.779	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-60.3	121.3	177	-47.7	0	0	0	0	110.5	K47	T45-K47 PolarHBondContact O-N 3.43Å
46	V	89.7	Confident	87.8	Confident	8 Å²	8	69 Å²	69	5%	0.048	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-70.8	124.5	179.3	179.3	0	0	0	0	110.2	P44 K87 A90 K91 I96 A98	P44-V46 PolarHBondContact O-N 3.34Å; V46-K87 HydrophobicContact CB-CB 4.19Å; V46-K87 HydrophobicContact CB-CG 4.26Å; V46-K87 HydrophobicContact CG1-CB 4.26Å; V46-K87 HydrophobicContact CG1-CG 4.14Å; V46-K87 WeakPolarHBondContact O-CE 3.48Å; V46-K87 PolarHBondContact O-NZ 3.43Å; V46-A90 HydrophobicContact CG1-CB 3.86Å; V46-K91 HydrophobicContact CG2-CB 3.88Å; V46-K91 HydrophobicContact CG2-CD 4.43Å; V46-K91 HydrophobicContact CG2-CG 4.02Å; V46-I96 WeakPolarHBondContact CA-O 2.91Å; V46-A98 HydrophobicContact CG1-CB 3.93Å
47	K	94.4	Very high	88.7	Confident	157 Å²	157	68.9 Å²	68.9	68%	0.683	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	158	170.9	-65.3	-175.9	-179.8	179.4	0	110	T45 I96 V97 A98	T45-K47 PolarHBondContact O-N 3.43Å; K47-I96 PolarHBondContact N-O 3.04Å; K47-V97 WeakPolarHBondContact O-CA 3.42Å; K47-A98 PolarHBondContact O-N 3.45Å
48	M	95.5	Very high	89.6	Confident	39 Å²	39	73.1 Å²	73.1	19%	0.192	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.2	176.2	-171.3	64.5	72.2	0	0	108.8	A52 L56 F83 A86 K87 A98	M48-A52 HydrophobicContact CG-CB 4.21Å; M48-A52 HydrophobicContact SD-CB 3.59Å; M48-A52 VanDerWaalsContact SD-CB 3.59Å; M48-L56 HydrophobicContact CE-CD1 4.17Å; M48-F83 HydrophobicContact CE-CD1 3.77Å; M48-F83 HydrophobicContact CE-CE1 4.33Å; M48-F83 HydrophobicContact CG-CD1 4.28Å; M48-F83 HydrophobicContact CG-CE1 3.98Å; M48-A86 HydrophobicContact CE-CB 3.67Å; M48-K87 HydrophobicContact CE-CG 3.81Å; M48-A98 HydrophobicContact CE-CB 3.87Å; M48-A98 HydrophobicContact SD-CB 3.58Å; M48-A98 VanDerWaalsContact SD-CB 3.58Å
49	E	96.9	Very high	90.3	Very high	79 Å²	79	71.1 Å²	71.1	37%	0.369	38%	0.38	S	S	.	.			trans	-65.5	151	168.5	-85	170.2	-177.5	0	0	111.5	N51 A52 S53 V97 A98 N99	E49-N51 VanDerWaalsContact C-N 3.35Å; E49-N51 PolarHBondContact O-N 3.3Å; E49-A52 HydrophobicContact CB-CB 4.15Å; E49-A52 PolarHBondContact O-N 3.45Å; E49-S53 WeakPolarHBondContact O-CB 3.32Å; E49-S53 PolarHBondContact O-N 3.49Å; E49-V97 HydrophobicContact CG-CG1 3.57Å; E49-A98 PolarHBondContact N-O 3.03Å; E49-N99 VanDerWaalsContact OE2-CA 3.31Å; E49-N99 WeakPolarHBondContact OE2-CA 3.47Å; E49-N99 WeakPolarHBondContact OE2-CB 3.18Å
50	E	97.2	Very high	91.1	Very high	132 Å²	132	68.8 Å²	68.8	62%	0.617	36%	0.358	S	S	*	.	H	α-helix	trans	-63.4	-42.3	-176.5	-165.8	-176.6	156.7	0	0	111.8	S53 K54	E50-S53 WeakPolarHBondContact O-CB 3.44Å; E50-S53 PolarHBondContact O-N 2.85Å; E50-K54 HydrophobicContact CG-CD 4.47Å; E50-K54 WeakPolarHBondContact O-CG 3.23Å; E50-K54 PolarHBondContact O-N 2.94Å; E50-K54 WeakPolarHBondContact OE1-CE 3.31Å; E50-K54 IonicContact OE1-NZ 2.68Å; E50-K54 PolarHBondContact OE1-NZ 3.45Å
51	N	97.2	Very high	91.7	Very high	94 Å²	94	73.5 Å²	73.5	50%	0.503	38%	0.38	S	S	.	.	H	α-helix	trans	-65	-42.9	177.5	-70.2	-13.9	0	0	0	112.1	E49 S53 K54 L55 E100	E49-N51 VanDerWaalsContact C-N 3.35Å; E49-N51 PolarHBondContact O-N 3.3Å; N51-S53 VanDerWaalsContact C-N 3.33Å; N51-S53 PolarHBondContact O-N 2.94Å; N51-K54 PolarHBondContact O-N 2.88Å; N51-L55 WeakPolarHBondContact O-CB 3.31Å; N51-L55 PolarHBondContact O-N 3.2Å; N51-E100 HydrophobicContact CB-CG 3.86Å; N51-E100 WeakPolarHBondContact CB-OE1 3.21Å; N51-E100 PolarHBondContact ND2-OE1 3.07Å
52	A	97.5	Very high	92.3	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-60.5	-44.1	175.2	0	0	0	0	0	111.3	M48 E49 L55 L56 N99 A103	M48-A52 HydrophobicContact CG-CB 4.21Å; M48-A52 HydrophobicContact SD-CB 3.59Å; M48-A52 VanDerWaalsContact SD-CB 3.59Å; E49-A52 HydrophobicContact CB-CB 4.15Å; E49-A52 PolarHBondContact O-N 3.45Å; A52-L55 PolarHBondContact O-N 3Å; A52-L56 WeakPolarHBondContact O-CG 3.28Å; A52-L56 PolarHBondContact O-N 3.3Å; A52-L56 VanDerWaalsContact O-N 3.13Å; A52-N99 VanDerWaalsContact CB-C 3.4Å; A52-N99 WeakPolarHBondContact CB-O 3.36Å; A52-A103 HydrophobicContact CB-CB 4.14Å
53	S	97.2	Very high	92.7	Very high	27 Å²	27	65.4 Å²	65.4	19%	0.189	35%	0.348	C	S	.	.	H	α-helix	trans	-59.7	-47.3	174.5	-176.1	0	0	0	0	112	E49 E50 N51 L55 L56 Q57 F83	E49-S53 WeakPolarHBondContact O-CB 3.32Å; E49-S53 PolarHBondContact O-N 3.49Å; E50-S53 WeakPolarHBondContact O-CB 3.44Å; E50-S53 PolarHBondContact O-N 2.85Å; N51-S53 VanDerWaalsContact C-N 3.33Å; N51-S53 PolarHBondContact O-N 2.94Å; S53-L55 VanDerWaalsContact C-N 3.35Å; S53-L55 PolarHBondContact O-N 3.46Å; S53-L56 PolarHBondContact O-N 2.78Å; S53-Q57 VanDerWaalsContact O-CG 3.27Å; S53-Q57 WeakPolarHBondContact O-CG 3.12Å; S53-Q57 PolarHBondContact O-N 3.4Å; S53-Q57 PolarHBondContact OG-NE2 2.96Å; S53-Q57 VanDerWaalsContact OG-NE2 3.13Å; S53-F83 WeakPolarHBondContact OG-CZ 3.43Å
54	K	97.8	Very high	93.3	Very high	100 Å²	100	68.4 Å²	68.4	44%	0.435	35%	0.351	S	S	.	.	H	α-helix	trans	-60.5	-43.1	176.9	-75.2	172	-177.1	165.2	0	111.6	E50 N51 L56 Q57 V58	E50-K54 HydrophobicContact CG-CD 4.47Å; E50-K54 WeakPolarHBondContact O-CG 3.23Å; E50-K54 PolarHBondContact O-N 2.94Å; E50-K54 WeakPolarHBondContact OE1-CE 3.31Å; E50-K54 IonicContact OE1-NZ 2.68Å; E50-K54 PolarHBondContact OE1-NZ 3.45Å; N51-K54 PolarHBondContact O-N 2.88Å; K54-L56 PolarHBondContact O-N 3.25Å; K54-Q57 PolarHBondContact O-N 3Å; K54-V58 WeakPolarHBondContact O-CB 3.33Å; K54-V58 VanDerWaalsContact O-CG2 3.29Å; K54-V58 WeakPolarHBondContact O-CG2 3.49Å; K54-V58 PolarHBondContact O-N 2.66Å
55	L	97.4	Very high	93.6	Very high	64 Å²	64	74.2 Å²	74.2	34%	0.335	36%	0.362	S	S	.	.	H	α-helix	trans	-59	-47.4	178.6	-174.2	64.6	0	0	0	111.6	N51 A52 S53 Q57 V58 Y59 A103 I107	N51-L55 WeakPolarHBondContact O-CB 3.31Å; N51-L55 PolarHBondContact O-N 3.2Å; A52-L55 PolarHBondContact O-N 3Å; S53-L55 VanDerWaalsContact C-N 3.35Å; S53-L55 PolarHBondContact O-N 3.46Å; L55-Q57 PolarHBondContact O-N 3.34Å; L55-V58 PolarHBondContact O-N 3.32Å; L55-Y59 WeakPolarHBondContact O-CB 3.43Å; L55-Y59 PolarHBondContact O-N 2.84Å; L55-A103 HydrophobicContact CB-CB 4.47Å; L55-A103 HydrophobicContact CD2-CB 3.94Å; L55-I107 HydrophobicContact CD2-CD1 4.3Å; L55-I107 HydrophobicContact CG-CD1 3.96Å
56	L	96.8	Very high	93.4	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-62.9	-40.9	177.4	-66.1	-177.3	0	0	0	112.4	M48 A52 S53 K54 Y60 L82 F83 A86 A103 A106 I107	M48-L56 HydrophobicContact CE-CD1 4.17Å; A52-L56 WeakPolarHBondContact O-CG 3.28Å; A52-L56 PolarHBondContact O-N 3.3Å; A52-L56 VanDerWaalsContact O-N 3.13Å; S53-L56 PolarHBondContact O-N 2.78Å; K54-L56 PolarHBondContact O-N 3.25Å; L56-Y60 WeakPolarHBondContact O-CB 3.5Å; L56-Y60 PolarHBondContact O-N 3.2Å; L56-L82 HydrophobicContact CD1-CB 4.42Å; L56-L82 HydrophobicContact CD2-CB 4.12Å; L56-L82 HydrophobicContact CD2-CD2 4.48Å; L56-F83 HydrophobicContact CB-CE2 4.18Å; L56-F83 HydrophobicContact CB-CZ 4.4Å; L56-F83 HydrophobicContact CD1-CD1 4.05Å; L56-F83 HydrophobicContact CD1-CD2 4.12Å; L56-F83 HydrophobicContact CD1-CE1 4.25Å; L56-F83 HydrophobicContact CD1-CE2 4.31Å; L56-F83 HydrophobicContact CD1-CG 3.98Å; L56-F83 HydrophobicContact CD1-CZ 4.36Å; L56-A86 HydrophobicContact CD1-CB 4.05Å; L56-A103 HydrophobicContact CD1-CB 4.42Å; L56-A103 HydrophobicContact CD2-CB 3.7Å; L56-A103 HydrophobicContact CG-CB 3.8Å; L56-A106 HydrophobicContact CD2-CB 4.39Å; L56-I107 HydrophobicContact CD2-CD1 4.14Å; L56-I107 HydrophobicContact CD2-CG1 3.89Å
57	Q	95.9	Very high	92.7	Very high	87 Å²	87	71.7 Å²	71.7	41%	0.407	35%	0.35	S	S	.	.	H	α-helix	trans	-64.7	-45.5	177.2	-69.9	172.9	28	0	0	111.8	S53 K54 L55 Y60 M61 L79 F83	S53-Q57 VanDerWaalsContact O-CG 3.27Å; S53-Q57 WeakPolarHBondContact O-CG 3.12Å; S53-Q57 PolarHBondContact O-N 3.4Å; S53-Q57 PolarHBondContact OG-NE2 2.96Å; S53-Q57 VanDerWaalsContact OG-NE2 3.13Å; K54-Q57 PolarHBondContact O-N 3Å; L55-Q57 PolarHBondContact O-N 3.34Å; Q57-Y60 PolarHBondContact O-N 3.2Å; Q57-M61 WeakPolarHBondContact O-CG 3.35Å; Q57-M61 PolarHBondContact O-N 3.04Å; Q57-L79 HydrophobicContact CG-CD1 4.4Å; Q57-F83 HydrophobicContact CG-CE2 4.46Å; Q57-F83 HydrophobicContact CG-CZ 4.43Å
58	V	96	Very high	91.2	Very high	98 Å²	98	70.1 Å²	70.1	59%	0.594	35%	0.353	S	S	*	.	H	α-helix	trans	-61.4	-46.2	177.8	169.9	0	0	0	0	110.5	K54 L55 Y60 M61 A62	K54-V58 WeakPolarHBondContact O-CB 3.33Å; K54-V58 VanDerWaalsContact O-CG2 3.29Å; K54-V58 WeakPolarHBondContact O-CG2 3.49Å; K54-V58 PolarHBondContact O-N 2.66Å; L55-V58 PolarHBondContact O-N 3.32Å; V58-Y60 PolarHBondContact O-N 3.33Å; V58-M61 PolarHBondContact O-N 2.86Å; V58-A62 WeakPolarHBondContact O-CB 2.8Å; V58-A62 PolarHBondContact O-N 3.49Å
59	Y	95	Very high	89.6	Confident	40 Å²	40	77.8 Å²	77.8	16%	0.157	38%	0.38	C	S	.	.	H	α-helix	trans	-58.5	-47.7	176	173	-103.2	0	0	0	112	L55 M61 A62 M63 L82 I107 Y110 D111	L55-Y59 WeakPolarHBondContact O-CB 3.43Å; L55-Y59 PolarHBondContact O-N 2.84Å; Y59-M61 VanDerWaalsContact C-N 3.33Å; Y59-M61 PolarHBondContact O-N 2.84Å; Y59-A62 PolarHBondContact O-N 3.27Å; Y59-M63 WeakPolarHBondContact O-CB 3.32Å; Y59-M63 PolarHBondContact O-N 3.46Å; Y59-L82 HydrophobicContact CD1-CD1 3.67Å; Y59-L82 HydrophobicContact CD1-CD2 4.17Å; Y59-L82 HydrophobicContact CE1-CD1 3.99Å; Y59-L82 HydrophobicContact CE1-CD2 4.07Å; Y59-I107 HydrophobicContact CD1-CD1 4.47Å; Y59-I107 HydrophobicContact CD1-CG1 3.8Å; Y59-I107 HydrophobicContact CD1-CG2 4.26Å; Y59-I107 HydrophobicContact CD2-CD1 4.44Å; Y59-I107 HydrophobicContact CD2-CG1 4.28Å; Y59-I107 HydrophobicContact CD2-CG2 3.62Å; Y59-I107 HydrophobicContact CE1-CG1 4.34Å; Y59-I107 HydrophobicContact CE1-CG2 4.2Å; Y59-I107 HydrophobicContact CE2-CG2 3.57Å; Y59-I107 HydrophobicContact CG-CB 4.47Å; Y59-I107 HydrophobicContact CG-CD1 3.97Å; Y59-I107 HydrophobicContact CG-CG1 3.75Å; Y59-I107 HydrophobicContact CG-CG2 3.97Å; Y59-Y110 HydrophobicContact CE1-CD1 4.17Å; Y59-D111 PolarHBondContact OH-OD1 3.41Å
60	Y	93.9	Very high	87.9	Confident	12 Å²	12	76.6 Å²	76.6	5%	0.047	38%	0.376	C	S	.	.	H	α-helix	trans	-60.1	-41.9	177.5	170.4	-105.1	0	0	0	112.6	L56 Q57 V58 M63 R64 A78 L79	L56-Y60 WeakPolarHBondContact O-CB 3.5Å; L56-Y60 PolarHBondContact O-N 3.2Å; Q57-Y60 PolarHBondContact O-N 3.2Å; V58-Y60 PolarHBondContact O-N 3.33Å; Y60-M63 HydrophobicContact CD2-CE 3.62Å; Y60-M63 HydrophobicContact CE2-CE 4.18Å; Y60-M63 PolarHBondContact O-N 3.26Å; Y60-R64 HydrophobicContact CD1-CG 4.37Å; Y60-R64 HydrophobicContact CD2-CG 4.2Å; Y60-R64 HydrophobicContact CE1-CG 4.01Å; Y60-R64 HydrophobicContact CE2-CG 3.8Å; Y60-R64 HydrophobicContact CG-CG 4.48Å; Y60-R64 WeakPolarHBondContact O-CB 3.36Å; Y60-R64 WeakPolarHBondContact O-CG 2.97Å; Y60-R64 PolarHBondContact O-N 3.3Å; Y60-R64 WeakPolarHBondContact OH-CD 3.47Å; Y60-R64 PolarHBondContact OH-NE 3.48Å; Y60-R64 PolarHBondContact OH-NH1 2.71Å; Y60-A78 HydrophobicContact CD2-CB 3.99Å; Y60-A78 HydrophobicContact CE2-CB 3.97Å; Y60-L79 HydrophobicContact CD1-CB 4.03Å; Y60-L79 HydrophobicContact CD1-CD1 4.34Å; Y60-L79 HydrophobicContact CD1-CD2 4.02Å; Y60-L79 HydrophobicContact CD1-CG 4.37Å; Y60-L79 HydrophobicContact CD2-CB 3.82Å; Y60-L79 HydrophobicContact CE1-CB 4.23Å; Y60-L79 HydrophobicContact CE1-CD2 4.29Å; Y60-L79 HydrophobicContact CE2-CB 4.06Å; Y60-L79 HydrophobicContact CG-CB 3.8Å; Y60-L79 HydrophobicContact CG-CD1 4.06Å; Y60-L79 HydrophobicContact CG-CD2 4.48Å; Y60-L79 HydrophobicContact CG-CG 4.34Å
61	M	92.4	Very high	85.9	Confident	113 Å²	113	81.6 Å²	81.6	56%	0.557	39%	0.389	S	S	*	.	H	α-helix	trans	-66.3	-41	176.7	-69	-61.4	-178.2	0	0	111.8	Q57 V58 Y59 R64 R65	Q57-M61 WeakPolarHBondContact O-CG 3.35Å; Q57-M61 PolarHBondContact O-N 3.04Å; V58-M61 PolarHBondContact O-N 2.86Å; Y59-M61 VanDerWaalsContact C-N 3.33Å; Y59-M61 PolarHBondContact O-N 2.84Å; M61-R64 PolarHBondContact O-N 3.38Å; M61-R65 WeakPolarHBondContact O-CB 3.41Å; M61-R65 PolarHBondContact O-N 2.91Å
62	A	90.7	Very high	84.4	Confident	50 Å²	50	83 Å²	83	41%	0.413	39%	0.391	S	S	.	.	H	α-helix	trans	-61.6	-46.3	174.8	0	0	0	0	0	111.3	V58 Y59 R65 S66	V58-A62 WeakPolarHBondContact O-CB 2.8Å; V58-A62 PolarHBondContact O-N 3.49Å; Y59-A62 PolarHBondContact O-N 3.27Å; A62-R65 WeakPolarHBondContact O-CB 3.49Å; A62-R65 PolarHBondContact O-N 2.93Å; A62-S66 PolarHBondContact O-N 3.43Å; A62-S66 PolarHBondContact O-OG 3.2Å
63	M	88.2	Confident	82.8	Confident	21 Å²	21	88.9 Å²	88.9	10%	0.103	43%	0.427	C	S	.	.	H	α-helix	trans	-59.7	-48.5	175.2	-178.8	-170.4	54.2	0	0	111.3	Y59 Y60 R65 S66 S67 A74 A78 Y110 I114	Y59-M63 WeakPolarHBondContact O-CB 3.32Å; Y59-M63 PolarHBondContact O-N 3.46Å; Y60-M63 HydrophobicContact CD2-CE 3.62Å; Y60-M63 HydrophobicContact CE2-CE 4.18Å; Y60-M63 PolarHBondContact O-N 3.26Å; M63-R65 VanDerWaalsContact C-N 3.29Å; M63-R65 PolarHBondContact O-N 2.92Å; M63-S66 PolarHBondContact O-N 3.07Å; M63-S66 VanDerWaalsContact O-N 3.17Å; M63-S67 VanDerWaalsContact O-CB 3.31Å; M63-S67 WeakPolarHBondContact O-CB 3.47Å; M63-S67 PolarHBondContact O-N 2.99Å; M63-S67 PolarHBondContact O-OG 3.44Å; M63-A74 HydrophobicContact CE-CB 3.57Å; M63-A74 HydrophobicContact CG-CB 4.08Å; M63-A74 HydrophobicContact SD-CB 4.09Å; M63-A78 HydrophobicContact CE-CB 3.69Å; M63-Y110 HydrophobicContact CE-CE1 4.15Å; M63-Y110 HydrophobicContact SD-CD1 4.38Å; M63-Y110 HydrophobicContact SD-CE1 3.77Å; M63-I114 HydrophobicContact SD-CD1 3.48Å; M63-I114 WeakPolarHBondContact SD-CD1 3.38Å
64	R	86.3	Confident	81.7	Confident	100 Å²	100	87.9 Å²	87.9	38%	0.377	42%	0.42	S	S	.	.	H	α-helix	trans	-56.9	-43.1	176.4	-73.2	-114.6	-78.1	-153.2	-5.6	111.8	Y60 M61 S67 V68 A74	Y60-R64 HydrophobicContact CD1-CG 4.37Å; Y60-R64 HydrophobicContact CD2-CG 4.2Å; Y60-R64 HydrophobicContact CE1-CG 4.01Å; Y60-R64 HydrophobicContact CE2-CG 3.8Å; Y60-R64 HydrophobicContact CG-CG 4.48Å; Y60-R64 WeakPolarHBondContact O-CB 3.36Å; Y60-R64 WeakPolarHBondContact O-CG 2.97Å; Y60-R64 PolarHBondContact O-N 3.3Å; Y60-R64 WeakPolarHBondContact OH-CD 3.47Å; Y60-R64 PolarHBondContact OH-NE 3.48Å; Y60-R64 PolarHBondContact OH-NH1 2.71Å; M61-R64 PolarHBondContact O-N 3.38Å; R64-S67 WeakPolarHBondContact O-CB 3.38Å; R64-S67 PolarHBondContact O-N 3.26Å; R64-V68 WeakPolarHBondContact O-CG2 3.48Å; R64-V68 PolarHBondContact O-N 3.05Å; R64-V68 VanDerWaalsContact O-N 3.17Å; R64-A74 HydrophobicContact CG-CB 3.91Å
65	R	85.1	Confident	81	Confident	211 Å²	211	86.1 Å²	86.1	80%	0.796	42%	0.419	S	S	*	.	H	α-helix	trans	-62.4	-43.6	177.6	-175.3	178	178.5	176.6	-0.4	111.7	M61 A62 M63	M61-R65 WeakPolarHBondContact O-CB 3.41Å; M61-R65 PolarHBondContact O-N 2.91Å; A62-R65 WeakPolarHBondContact O-CB 3.49Å; A62-R65 PolarHBondContact O-N 2.93Å; M63-R65 VanDerWaalsContact C-N 3.29Å; M63-R65 PolarHBondContact O-N 2.92Å
66	S	81.2	Confident	80.3	Confident	61 Å²	61	86.5 Å²	86.5	43%	0.427	43%	0.431	S	S	.	.	H	α-helix	trans	-68	-39	177	-62.3	0	0	0	0	112.3	A62 M63 V68 R69 D70	A62-S66 PolarHBondContact O-N 3.43Å; A62-S66 PolarHBondContact O-OG 3.2Å; M63-S66 PolarHBondContact O-N 3.07Å; M63-S66 VanDerWaalsContact O-N 3.17Å; S66-V68 VanDerWaalsContact C-N 3.35Å; S66-V68 PolarHBondContact O-N 3.49Å; S66-R69 WeakPolarHBondContact O-CA 3.41Å; S66-R69 VanDerWaalsContact O-CB 3.23Å; S66-R69 WeakPolarHBondContact O-CB 3.43Å; S66-R69 PolarHBondContact O-N 2.94Å; S66-D70 PolarHBondContact O-N 3.39Å
67	S	73.6	Confident	79.9	Confident	20 Å²	20	89.9 Å²	89.9	14%	0.14	46%	0.455	C	S	.	.	H	α-helix	trans	-59.9	-37.8	177	-85.5	0	0	0	0	114.3	M63 R64 R69 D70 R71 K72 A74	M63-S67 VanDerWaalsContact O-CB 3.31Å; M63-S67 WeakPolarHBondContact O-CB 3.47Å; M63-S67 PolarHBondContact O-N 2.99Å; M63-S67 PolarHBondContact O-OG 3.44Å; R64-S67 WeakPolarHBondContact O-CB 3.38Å; R64-S67 PolarHBondContact O-N 3.26Å; S67-R69 PolarHBondContact O-N 3.39Å; S67-D70 PolarHBondContact O-N 2.88Å; S67-D70 VanDerWaalsContact O-N 3.16Å; S67-R71 PolarHBondContact O-N 2.95Å; S67-K72 WeakPolarHBondContact CA-O 3.46Å; S67-K72 WeakPolarHBondContact CB-O 3.42Å; S67-K72 PolarHBondContact OG-O 2.84Å; S67-A74 PolarHBondContact OG-N 3.22Å
68	V	64.4	Low	79.7	Confident	124 Å²	124	85.8 Å²	85.8	75%	0.752	44%	0.436	S	S	*	.	H	α-helix	trans	-60.1	-32.6	174.3	172.1	0	0	0	0	110.8	R64 S66	R64-V68 WeakPolarHBondContact O-CG2 3.48Å; R64-V68 PolarHBondContact O-N 3.05Å; R64-V68 VanDerWaalsContact O-N 3.17Å; S66-V68 VanDerWaalsContact C-N 3.35Å; S66-V68 PolarHBondContact O-N 3.49Å
69	R	60.9	Low	79.5	Confident	200 Å²	200	83 Å²	83	76%	0.755	42%	0.418	S	S	*	.	H	α-helix	trans	-74.8	-34.7	176.8	-159.9	178.5	71	-169.4	3.8	112.6	S66 S67	S66-R69 WeakPolarHBondContact O-CA 3.41Å; S66-R69 VanDerWaalsContact O-CB 3.23Å; S66-R69 WeakPolarHBondContact O-CB 3.43Å; S66-R69 PolarHBondContact O-N 2.94Å; S67-R69 PolarHBondContact O-N 3.39Å
70	D	61.5	Low	79.5	Confident	55 Å²	55	85 Å²	85	29%	0.294	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	8.5	-171	-70.7	-2.2	0	0	0	114.2	S66 S67 K72 R120	S66-D70 PolarHBondContact O-N 3.39Å; S67-D70 PolarHBondContact O-N 2.88Å; S67-D70 VanDerWaalsContact O-N 3.16Å; D70-K72 PolarHBondContact O-N 3.14Å; D70-R120 IonicContact OD2-CZ 3.28Å; D70-R120 VanDerWaalsContact OD2-CZ 3.28Å; D70-R120 IonicContact OD2-NH1 2.81Å; D70-R120 PolarHBondContact OD2-NH1 3.46Å; D70-R120 IonicContact OD2-NH2 2.8Å; D70-R120 PolarHBondContact OD2-NH2 3.39Å
71	R	55.6	Low	79.5	Confident	237 Å²	237	87.1 Å²	87.1	89%	0.894	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	8.4	-176.9	-61.2	-177.3	178.5	177.5	-0.3	115.7	S67	S67-R71 PolarHBondContact O-N 2.95Å
72	K	64.7	Low	79.6	Confident	122 Å²	122	81.7 Å²	81.7	53%	0.53	42%	0.423	S	S	.	.			trans	-108.5	101.1	172.6	-72.1	-171.9	179.1	-178.3	0	109	S67 D70 A74 T118	S67-K72 WeakPolarHBondContact CA-O 3.46Å; S67-K72 WeakPolarHBondContact CB-O 3.42Å; S67-K72 PolarHBondContact OG-O 2.84Å; D70-K72 PolarHBondContact O-N 3.14Å; K72-A74 PolarHBondContact O-N 3.17Å; K72-T118 HydrophobicContact CD-CG2 4.07Å
73	T	65.1	Low	79.8	Confident	124 Å²	124	81.4 Å²	81.4	76%	0.761	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-67.9	121.4	-177.6	-36.9	0	0	0	0	110.8	P75	T73-P75 WeakPolarHBondContact O-CD 3.37Å
74	A	73.8	Confident	80.1	Confident	6 Å²	6	85.1 Å²	85.1	5%	0.05	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-61.1	121.4	169.3	0	0	0	0	0	110	M63 R64 S67 K72	M63-A74 HydrophobicContact CE-CB 3.57Å; M63-A74 HydrophobicContact CG-CB 4.08Å; M63-A74 HydrophobicContact SD-CB 4.09Å; R64-A74 HydrophobicContact CG-CB 3.91Å; S67-A74 PolarHBondContact OG-N 3.22Å; K72-A74 PolarHBondContact O-N 3.17Å
75	P	82.3	Confident	80.5	Confident	64 Å²	64	81.7 Å²	81.7	42%	0.416	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-70.2	147.5	-174.6	29.1	-34.5	0	0	0	110.7	T73 S77 A78	T73-P75 WeakPolarHBondContact O-CD 3.37Å; P75-S77 PolarHBondContact O-N 3.22Å; P75-S77 VanDerWaalsContact O-N 3.13Å; P75-A78 HydrophobicContact CG-CB 4.41Å; P75-A78 WeakPolarHBondContact O-CB 3.46Å; P75-A78 PolarHBondContact O-N 3.42Å
76	A	84.1	Confident	81.1	Confident	71 Å²	71	71.6 Å²	71.6	59%	0.587	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.8	177.6	0	0	0	0	0	113	A78 P80	A76-A78 PolarHBondContact O-N 2.88Å; A76-P80 WeakPolarHBondContact O-CD 3.4Å
77	S	88.2	Confident	81.7	Confident	72 Å²	72	72.2 Å²	72.2	50%	0.503	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.5	174.6	56.1	0	0	0	0	113.9	P75 L79 P80 T81	P75-S77 PolarHBondContact O-N 3.22Å; P75-S77 VanDerWaalsContact O-N 3.13Å; S77-L79 PolarHBondContact O-N 3.14Å; S77-P80 WeakPolarHBondContact O-CD 3.2Å; S77-T81 WeakPolarHBondContact O-CB 3.31Å; S77-T81 PolarHBondContact O-N 3.44Å; S77-T81 VanDerWaalsContact O-N 3.07Å; S77-T81 PolarHBondContact O-OG1 2.92Å
78	A	89.9	Confident	82.5	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-61.3	-44.2	-179.9	0	0	0	0	0	112.1	Y60 M63 P75 A76 T81 L82 Y110	Y60-A78 HydrophobicContact CD2-CB 3.99Å; Y60-A78 HydrophobicContact CE2-CB 3.97Å; M63-A78 HydrophobicContact CE-CB 3.69Å; P75-A78 HydrophobicContact CG-CB 4.41Å; P75-A78 WeakPolarHBondContact O-CB 3.46Å; P75-A78 PolarHBondContact O-N 3.42Å; A76-A78 PolarHBondContact O-N 2.88Å; A78-T81 WeakPolarHBondContact O-CB 3.46Å; A78-T81 PolarHBondContact O-N 3.47Å; A78-L82 WeakPolarHBondContact O-CG 3.42Å; A78-L82 PolarHBondContact O-N 2.97Å; A78-Y110 HydrophobicContact CB-CE1 3.92Å; A78-Y110 WeakPolarHBondContact CB-OH 3.39Å
79	L	93.3	Very high	83.9	Confident	40 Å²	40	68 Å²	68	21%	0.209	35%	0.347	C	S	.	.	H	α-helix	trans	-64	-53	-178.7	-177.3	64.9	0	0	0	111.9	Q57 Y60 S77 T81 L82 F83	Q57-L79 HydrophobicContact CG-CD1 4.4Å; Y60-L79 HydrophobicContact CD1-CB 4.03Å; Y60-L79 HydrophobicContact CD1-CD1 4.34Å; Y60-L79 HydrophobicContact CD1-CD2 4.02Å; Y60-L79 HydrophobicContact CD1-CG 4.37Å; Y60-L79 HydrophobicContact CD2-CB 3.82Å; Y60-L79 HydrophobicContact CE1-CB 4.23Å; Y60-L79 HydrophobicContact CE1-CD2 4.29Å; Y60-L79 HydrophobicContact CE2-CB 4.06Å; Y60-L79 HydrophobicContact CG-CB 3.8Å; Y60-L79 HydrophobicContact CG-CD1 4.06Å; Y60-L79 HydrophobicContact CG-CD2 4.48Å; Y60-L79 HydrophobicContact CG-CG 4.34Å; S77-L79 PolarHBondContact O-N 3.14Å; L79-T81 PolarHBondContact O-N 3.21Å; L79-L82 WeakPolarHBondContact O-CB 2.85Å; L79-L82 PolarHBondContact O-N 3.48Å; L79-F83 HydrophobicContact CD1-CD2 4.01Å; L79-F83 HydrophobicContact CD1-CE2 3.65Å; L79-F83 HydrophobicContact CG-CD2 4.18Å; L79-F83 HydrophobicContact CG-CE2 4.02Å; L79-F83 WeakPolarHBondContact O-CD2 3.26Å; L79-F83 PolarHBondContact O-N 2.99Å; L79-F83 VanDerWaalsContact O-N 3.14Å
80	P	94.4	Very high	85.4	Confident	82 Å²	82	58.5 Å²	58.5	53%	0.532	31%	0.311	S	S	.	.	H	α-helix	trans	-54.1	-37.3	171.9	-26.4	33.2	0	0	0	113.8	A76 S77 F83 K84	A76-P80 WeakPolarHBondContact O-CD 3.4Å; S77-P80 WeakPolarHBondContact O-CD 3.2Å; P80-F83 PolarHBondContact O-N 3.49Å; P80-K84 WeakPolarHBondContact O-CB 3.39Å; P80-K84 PolarHBondContact O-N 2.84Å
81	T	93.4	Very high	86.8	Confident	56 Å²	56	58.2 Å²	58.2	34%	0.344	31%	0.308	S	S	.	.	H	α-helix	trans	-64.3	-44.9	178.3	-57.2	0	0	0	0	111.5	S77 A78 L79 F83 K84 L85 Y110	S77-T81 WeakPolarHBondContact O-CB 3.31Å; S77-T81 PolarHBondContact O-N 3.44Å; S77-T81 VanDerWaalsContact O-N 3.07Å; S77-T81 PolarHBondContact O-OG1 2.92Å; A78-T81 WeakPolarHBondContact O-CB 3.46Å; A78-T81 PolarHBondContact O-N 3.47Å; L79-T81 PolarHBondContact O-N 3.21Å; T81-F83 PolarHBondContact O-N 2.88Å; T81-K84 WeakPolarHBondContact O-CB 3.28Å; T81-K84 PolarHBondContact O-N 3.19Å; T81-K84 VanDerWaalsContact O-N 3.14Å; T81-L85 HydrophobicContact CG2-CD1 4.24Å; T81-L85 HydrophobicContact CG2-CG 4.48Å; T81-L85 WeakPolarHBondContact O-CG 3.33Å; T81-L85 PolarHBondContact O-N 3Å; T81-Y110 HydrophobicContact CG2-CD2 4.23Å; T81-Y110 HydrophobicContact CG2-CE2 4.09Å
82	L	95.3	Very high	88.3	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.4	-45.8	175.3	-73.9	163.9	0	0	0	111.8	L56 Y59 A78 L79 K84 L85 A86 I107 Y110	L56-L82 HydrophobicContact CD1-CB 4.42Å; L56-L82 HydrophobicContact CD2-CB 4.12Å; L56-L82 HydrophobicContact CD2-CD2 4.48Å; Y59-L82 HydrophobicContact CD1-CD1 3.67Å; Y59-L82 HydrophobicContact CD1-CD2 4.17Å; Y59-L82 HydrophobicContact CE1-CD1 3.99Å; Y59-L82 HydrophobicContact CE1-CD2 4.07Å; A78-L82 WeakPolarHBondContact O-CG 3.42Å; A78-L82 PolarHBondContact O-N 2.97Å; L79-L82 WeakPolarHBondContact O-CB 2.85Å; L79-L82 PolarHBondContact O-N 3.48Å; L82-K84 VanDerWaalsContact C-N 3.31Å; L82-K84 PolarHBondContact O-N 3.41Å; L82-L85 PolarHBondContact O-N 2.78Å; L82-A86 PolarHBondContact O-N 2.67Å; L82-I107 HydrophobicContact CD2-CG1 4.38Å; L82-Y110 HydrophobicContact CD2-CD1 4.2Å; L82-Y110 HydrophobicContact CD2-CG 3.87Å; L82-Y110 HydrophobicContact CG-CG 4.35Å
83	F	95.4	Very high	89.5	Confident	44 Å²	44	49.4 Å²	49.4	19%	0.193	28%	0.283	C	S	.	.	H	α-helix	trans	-62	-39.9	175.6	-85.8	-88.6	0	0	0	112.2	M48 S53 L56 Q57 L79 P80 T81 K87	M48-F83 HydrophobicContact CE-CD1 3.77Å; M48-F83 HydrophobicContact CE-CE1 4.33Å; M48-F83 HydrophobicContact CG-CD1 4.28Å; M48-F83 HydrophobicContact CG-CE1 3.98Å; S53-F83 WeakPolarHBondContact OG-CZ 3.43Å; L56-F83 HydrophobicContact CB-CE2 4.18Å; L56-F83 HydrophobicContact CB-CZ 4.4Å; L56-F83 HydrophobicContact CD1-CD1 4.05Å; L56-F83 HydrophobicContact CD1-CD2 4.12Å; L56-F83 HydrophobicContact CD1-CE1 4.25Å; L56-F83 HydrophobicContact CD1-CE2 4.31Å; L56-F83 HydrophobicContact CD1-CG 3.98Å; L56-F83 HydrophobicContact CD1-CZ 4.36Å; Q57-F83 HydrophobicContact CG-CE2 4.46Å; Q57-F83 HydrophobicContact CG-CZ 4.43Å; L79-F83 HydrophobicContact CD1-CD2 4.01Å; L79-F83 HydrophobicContact CD1-CE2 3.65Å; L79-F83 HydrophobicContact CG-CD2 4.18Å; L79-F83 HydrophobicContact CG-CE2 4.02Å; L79-F83 WeakPolarHBondContact O-CD2 3.26Å; L79-F83 PolarHBondContact O-N 2.99Å; L79-F83 VanDerWaalsContact O-N 3.14Å; P80-F83 PolarHBondContact O-N 3.49Å; T81-F83 PolarHBondContact O-N 2.88Å; F83-K87 WeakPolarHBondContact O-CB 3.41Å; F83-K87 WeakPolarHBondContact O-CG 3.47Å; F83-K87 PolarHBondContact O-N 3.03Å
84	K	94.5	Very high	90.5	Very high	99 Å²	99	46.9 Å²	46.9	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-45.4	177.7	-164.2	177.1	-174.7	-179	0	110.8	C14 P80 T81 L82 K87 S88	C14-K84 PolarHBondContact O-NZ 2.88Å; P80-K84 WeakPolarHBondContact O-CB 3.39Å; P80-K84 PolarHBondContact O-N 2.84Å; T81-K84 WeakPolarHBondContact O-CB 3.28Å; T81-K84 PolarHBondContact O-N 3.19Å; T81-K84 VanDerWaalsContact O-N 3.14Å; L82-K84 VanDerWaalsContact C-N 3.31Å; L82-K84 PolarHBondContact O-N 3.41Å; K84-K87 PolarHBondContact O-N 3.4Å; K84-S88 WeakPolarHBondContact O-CB 3.39Å; K84-S88 PolarHBondContact O-N 3.46Å; K84-S88 PolarHBondContact O-OG 3.49Å
85	L	94.7	Very high	91.3	Very high	27 Å²	27	50 Å²	50	14%	0.141	29%	0.292	C	S	.	.	H	α-helix	trans	-60.2	-48.8	177.1	-73.7	172	0	0	0	111.8	T81 L82 K87 S88 N89 A106 I109 Y110	T81-L85 HydrophobicContact CG2-CD1 4.24Å; T81-L85 HydrophobicContact CG2-CG 4.48Å; T81-L85 WeakPolarHBondContact O-CG 3.33Å; T81-L85 PolarHBondContact O-N 3Å; L82-L85 PolarHBondContact O-N 2.78Å; L85-K87 PolarHBondContact O-N 3.48Å; L85-S88 PolarHBondContact O-N 3.34Å; L85-N89 PolarHBondContact O-N 3.27Å; L85-A106 HydrophobicContact CB-CB 3.7Å; L85-I109 HydrophobicContact CD1-CG2 4.22Å; L85-I109 HydrophobicContact CD2-CG2 4.47Å; L85-Y110 HydrophobicContact CD1-CD2 4.46Å
86	A	95.9	Very high	91.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.6	-44.8	179.7	0	0	0	0	0	111.7	M48 L56 L82 N89 A90 D102 A106	M48-A86 HydrophobicContact CE-CB 3.67Å; L56-A86 HydrophobicContact CD1-CB 4.05Å; L82-A86 PolarHBondContact O-N 2.67Å; A86-N89 PolarHBondContact O-N 3.37Å; A86-A90 PolarHBondContact O-N 2.93Å; A86-D102 HydrophobicContact CB-CB 4.19Å; A86-A106 HydrophobicContact CB-CB 3.87Å
87	K	94.4	Very high	92.3	Very high	74 Å²	74	51.2 Å²	51.2	32%	0.322	29%	0.286	S	S	.	.	H	α-helix	trans	-64.4	-41.2	175.7	-72.6	-177.2	180	-169.1	0	112.5	V46 M48 F83 K84 L85 N89 A90 K91	V46-K87 HydrophobicContact CB-CB 4.19Å; V46-K87 HydrophobicContact CB-CG 4.26Å; V46-K87 HydrophobicContact CG1-CB 4.26Å; V46-K87 HydrophobicContact CG1-CG 4.14Å; V46-K87 WeakPolarHBondContact O-CE 3.48Å; V46-K87 PolarHBondContact O-NZ 3.43Å; M48-K87 HydrophobicContact CE-CG 3.81Å; F83-K87 WeakPolarHBondContact O-CB 3.41Å; F83-K87 WeakPolarHBondContact O-CG 3.47Å; F83-K87 PolarHBondContact O-N 3.03Å; K84-K87 PolarHBondContact O-N 3.4Å; L85-K87 PolarHBondContact O-N 3.48Å; K87-N89 VanDerWaalsContact C-N 3.33Å; K87-A90 PolarHBondContact O-N 3.17Å; K87-K91 WeakPolarHBondContact O-CB 3.49Å; K87-K91 PolarHBondContact O-N 3.33Å
88	S	91.3	Very high	92.7	Very high	22 Å²	22	47.8 Å²	47.8	15%	0.154	26%	0.262	C	S	.	.	H	α-helix	trans	-62.6	-41.1	176.2	-70	0	0	0	0	111.4	K84 L85 K91 I92	K84-S88 WeakPolarHBondContact O-CB 3.39Å; K84-S88 PolarHBondContact O-N 3.46Å; K84-S88 PolarHBondContact O-OG 3.49Å; L85-S88 PolarHBondContact O-N 3.34Å; S88-K91 WeakPolarHBondContact O-CB 3.21Å; S88-K91 PolarHBondContact O-N 3.2Å; S88-I92 VanDerWaalsContact O-CG1 3.31Å; S88-I92 WeakPolarHBondContact O-CG1 3.44Å; S88-I92 PolarHBondContact O-N 2.92Å
89	N	92.6	Very high	93	Very high	33 Å²	33	49.9 Å²	49.9	18%	0.176	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-45.4	176.6	-169.6	70.1	0	0	0	111.8	L85 A86 K87 K91 I92 N93 D102 I105	L85-N89 PolarHBondContact O-N 3.27Å; A86-N89 PolarHBondContact O-N 3.37Å; K87-N89 VanDerWaalsContact C-N 3.33Å; N89-K91 VanDerWaalsContact C-N 3.3Å; N89-K91 PolarHBondContact O-N 2.95Å; N89-I92 PolarHBondContact O-N 3.34Å; N89-N93 PolarHBondContact ND2-ND2 2.82Å; N89-N93 PolarHBondContact O-N 3.44Å; N89-N93 VanDerWaalsContact O-N 3.14Å; N89-N93 PolarHBondContact O-ND2 2.97Å; N89-D102 PolarHBondContact ND2-OD1 2.75Å; N89-I105 WeakPolarHBondContact ND2-CD1 3.23Å
90	A	92.4	Very high	93.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.7	-42.9	173.6	0	0	0	0	0	111.5	V46 A86 K87 N93 G94 R95 A98 D102	V46-A90 HydrophobicContact CG1-CB 3.86Å; A86-A90 PolarHBondContact O-N 2.93Å; K87-A90 PolarHBondContact O-N 3.17Å; A90-N93 CarbonylContact O-C 3.59Å; A90-N93 PolarHBondContact O-N 3.14Å; A90-G94 PolarHBondContact O-N 3.44Å; A90-R95 CarbonylContact C-O 3.41Å; A90-R95 HydrophobicContact CB-CB 4.36Å; A90-R95 PolarHBondContact O-N 2.81Å; A90-A98 HydrophobicContact CB-CB 3.72Å; A90-D102 PolarHBondContact N-OD1 2.85Å
91	K	90.4	Very high	93.4	Very high	50 Å²	50	52.6 Å²	52.6	22%	0.217	28%	0.28	C	S	.	.	H	α-helix	trans	-63.7	-43.3	-179.7	-154.3	175.6	-147.5	-158	0	112.8	C40 K41 A43 V46 K87 S88 N89 N93 G94	C40-K91 HydrophobicContact CB-CG 4.39Å; C40-K91 WeakPolarHBondContact O-CD 3.43Å; C40-K91 WeakPolarHBondContact O-CE 3.31Å; C40-K91 PolarHBondContact O-NZ 3.02Å; K41-K91 PolarHBondContact O-NZ 3.37Å; A43-K91 VanDerWaalsContact O-CE 3.23Å; A43-K91 WeakPolarHBondContact O-CE 3.27Å; A43-K91 PolarHBondContact O-NZ 2.99Å; V46-K91 HydrophobicContact CG2-CB 3.88Å; V46-K91 HydrophobicContact CG2-CD 4.43Å; V46-K91 HydrophobicContact CG2-CG 4.02Å; K87-K91 WeakPolarHBondContact O-CB 3.49Å; K87-K91 PolarHBondContact O-N 3.33Å; S88-K91 WeakPolarHBondContact O-CB 3.21Å; S88-K91 PolarHBondContact O-N 3.2Å; N89-K91 VanDerWaalsContact C-N 3.3Å; N89-K91 PolarHBondContact O-N 2.95Å; K91-N93 PolarHBondContact O-N 3.37Å; K91-G94 PolarHBondContact O-N 2.87Å
92	I	88.3	Confident	93.6	Very high	81 Å²	81	50 Å²	50	42%	0.415	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-35.7	176.1	-70.1	166.1	0	0	0	110.4	T13 S88 N89 G94	T13-I92 HydrophobicContact CG2-CD1 4.27Å; S88-I92 VanDerWaalsContact O-CG1 3.31Å; S88-I92 WeakPolarHBondContact O-CG1 3.44Å; S88-I92 PolarHBondContact O-N 2.92Å; N89-I92 PolarHBondContact O-N 3.34Å; I92-G94 PolarHBondContact O-N 3.24Å
93	N	88.7	Confident	93.7	Very high	93 Å²	93	50 Å²	50	50%	0.497	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	12.3	174.9	-69.9	-60.9	0	0	0	113.7	N89 A90 K91 R95	N89-N93 PolarHBondContact ND2-ND2 2.82Å; N89-N93 PolarHBondContact O-N 3.44Å; N89-N93 VanDerWaalsContact O-N 3.14Å; N89-N93 PolarHBondContact O-ND2 2.97Å; A90-N93 CarbonylContact O-C 3.59Å; A90-N93 PolarHBondContact O-N 3.14Å; K91-N93 PolarHBondContact O-N 3.37Å; N93-R95 PolarHBondContact O-N 3.29Å
94	G	86.9	Confident	93.8	Very high	70 Å²	70	51.3 Å²	51.3	72%	0.722	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	15.6	177.5	0	0	0	0	0	114.8	A90 K91 I92	A90-G94 PolarHBondContact O-N 3.44Å; K91-G94 PolarHBondContact O-N 2.87Å; I92-G94 PolarHBondContact O-N 3.24Å
95	R	90.8	Very high	93.9	Very high	73 Å²	73	49.1 Å²	49.1	28%	0.275	27%	0.269	S	S	.	.			trans	-96.4	142.1	-179.3	-68.1	-174.2	-74.5	129	0.6	111.5	A90 N93 N99 D102	A90-R95 CarbonylContact C-O 3.41Å; A90-R95 HydrophobicContact CB-CB 4.36Å; A90-R95 PolarHBondContact O-N 2.81Å; N93-R95 PolarHBondContact O-N 3.29Å; R95-N99 VanDerWaalsContact NH1-CG 3.3Å; R95-N99 PolarHBondContact NH1-ND2 3.34Å; R95-N99 PolarHBondContact NH1-OD1 3.17Å; R95-D102 IonicContact CZ-OD1 3.65Å; R95-D102 IonicContact CZ-OD2 3.22Å; R95-D102 IonicContact NH1-OD1 3.88Å; R95-D102 IonicContact NH1-OD2 2.69Å; R95-D102 PolarHBondContact NH1-OD2 3.38Å; R95-D102 IonicContact NH2-OD1 2.67Å; R95-D102 PolarHBondContact NH2-OD1 2.84Å; R95-D102 IonicContact NH2-OD2 3Å; R95-D102 PolarHBondContact NH2-OD2 3.4Å
96	I	92.5	Very high	93.9	Very high	108 Å²	108	47.9 Å²	47.9	55%	0.554	26%	0.262	S	S	*	.	S	Bend	trans	-94.4	-5.2	176	58.3	163.4	0	0	0	113.4	P44 V46 K47	P44-I96 HydrophobicContact CB-CG2 4.37Å; P44-I96 HydrophobicContact CG-CG2 4.47Å; V46-I96 WeakPolarHBondContact CA-O 2.91Å; K47-I96 PolarHBondContact N-O 3.04Å
97	V	95.2	Very high	93.9	Very high	51 Å²	51	49.2 Å²	49.2	31%	0.309	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	125.2	176	-177.7	0	0	0	0	108.4	K47 E49	K47-V97 WeakPolarHBondContact O-CA 3.42Å; E49-V97 HydrophobicContact CG-CG1 3.57Å
98	A	95.9	Very high	93.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	130.3	172.8	0	0	0	0	0	110.2	V46 K47 M48 E49 A90 D102	V46-A98 HydrophobicContact CG1-CB 3.93Å; K47-A98 PolarHBondContact O-N 3.45Å; M48-A98 HydrophobicContact CE-CB 3.87Å; M48-A98 HydrophobicContact SD-CB 3.58Å; M48-A98 VanDerWaalsContact SD-CB 3.58Å; E49-A98 PolarHBondContact N-O 3.03Å; A90-A98 HydrophobicContact CB-CB 3.72Å; A98-D102 WeakPolarHBondContact CA-OD2 3.39Å; A98-D102 HydrophobicContact CB-CB 4.15Å
99	N	97.5	Very high	94	Very high	44 Å²	44	55.8 Å²	55.8	24%	0.235	29%	0.294	C	S	.	.			trans	-113.2	-173.9	-174.8	67	10.2	0	0	0	112.1	E49 A52 R95 L101 D102 A103	E49-N99 VanDerWaalsContact OE2-CA 3.31Å; E49-N99 WeakPolarHBondContact OE2-CA 3.47Å; E49-N99 WeakPolarHBondContact OE2-CB 3.18Å; A52-N99 VanDerWaalsContact CB-C 3.4Å; A52-N99 WeakPolarHBondContact CB-O 3.36Å; R95-N99 VanDerWaalsContact NH1-CG 3.3Å; R95-N99 PolarHBondContact NH1-ND2 3.34Å; R95-N99 PolarHBondContact NH1-OD1 3.17Å; N99-L101 PolarHBondContact O-N 3.02Å; N99-L101 WeakPolarHBondContact OD1-CB 3.39Å; N99-L101 PolarHBondContact OD1-N 2.8Å; N99-D102 PolarHBondContact N-OD2 3.2Å; N99-D102 WeakPolarHBondContact O-CB 3.1Å; N99-D102 PolarHBondContact O-N 3.17Å; N99-D102 VanDerWaalsContact O-N 3.13Å; N99-D102 PolarHBondContact OD1-N 2.96Å; N99-D102 PolarHBondContact OD1-OD2 3.13Å; N99-A103 PolarHBondContact O-N 2.85Å; N99-A103 VanDerWaalsContact O-N 3.12Å
100	E	97.7	Very high	93.9	Very high	72 Å²	72	55.1 Å²	55.1	34%	0.336	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-29.4	-176.9	-59.5	92.7	155.9	0	0	112.9	N51 A103 T104	N51-E100 HydrophobicContact CB-CG 3.86Å; N51-E100 WeakPolarHBondContact CB-OE1 3.21Å; N51-E100 PolarHBondContact ND2-OE1 3.07Å; E100-A103 PolarHBondContact O-N 3.32Å; E100-T104 WeakPolarHBondContact O-CB 3.43Å; E100-T104 PolarHBondContact O-N 3.43Å; E100-T104 PolarHBondContact O-OG1 2.72Å
101	L	97.5	Very high	93.7	Very high	108 Å²	108	59 Å²	59	57%	0.565	31%	0.31	S	S	*	.	H	α-helix	trans	-66.4	-42.7	175.4	-177.2	64.1	0	0	0	110.9	N99 A103 T104 I105	N99-L101 PolarHBondContact O-N 3.02Å; N99-L101 WeakPolarHBondContact OD1-CB 3.39Å; N99-L101 PolarHBondContact OD1-N 2.8Å; L101-A103 VanDerWaalsContact C-N 3.32Å; L101-A103 PolarHBondContact O-N 3.38Å; L101-T104 PolarHBondContact O-N 3.07Å; L101-I105 HydrophobicContact CD1-CD1 4.43Å; L101-I105 HydrophobicContact CG-CD1 4.1Å; L101-I105 WeakPolarHBondContact O-CG1 3.48Å; L101-I105 PolarHBondContact O-N 3.47Å
102	D	97.1	Very high	93.6	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.4	-40.7	175	-62.6	-58.7	0	0	0	112.2	A86 N89 A90 R95 A98 N99 T104 I105 A106	A86-D102 HydrophobicContact CB-CB 4.19Å; N89-D102 PolarHBondContact ND2-OD1 2.75Å; A90-D102 PolarHBondContact N-OD1 2.85Å; R95-D102 IonicContact CZ-OD1 3.65Å; R95-D102 IonicContact CZ-OD2 3.22Å; R95-D102 IonicContact NH1-OD1 3.88Å; R95-D102 IonicContact NH1-OD2 2.69Å; R95-D102 PolarHBondContact NH1-OD2 3.38Å; R95-D102 IonicContact NH2-OD1 2.67Å; R95-D102 PolarHBondContact NH2-OD1 2.84Å; R95-D102 IonicContact NH2-OD2 3Å; R95-D102 PolarHBondContact NH2-OD2 3.4Å; A98-D102 WeakPolarHBondContact CA-OD2 3.39Å; A98-D102 HydrophobicContact CB-CB 4.15Å; N99-D102 PolarHBondContact N-OD2 3.2Å; N99-D102 WeakPolarHBondContact O-CB 3.1Å; N99-D102 PolarHBondContact O-N 3.17Å; N99-D102 VanDerWaalsContact O-N 3.13Å; N99-D102 PolarHBondContact OD1-N 2.96Å; N99-D102 PolarHBondContact OD1-OD2 3.13Å; D102-T104 VanDerWaalsContact C-N 3.35Å; D102-I105 PolarHBondContact O-N 3.29Å; D102-A106 WeakPolarHBondContact O-CB 3.49Å; D102-A106 PolarHBondContact O-N 2.81Å
103	A	97.6	Very high	93.5	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.5	-42.2	175.1	0	0	0	0	0	111.4	A52 L55 L56 N99 E100 L101 A106 I107	A52-A103 HydrophobicContact CB-CB 4.14Å; L55-A103 HydrophobicContact CB-CB 4.47Å; L55-A103 HydrophobicContact CD2-CB 3.94Å; L56-A103 HydrophobicContact CD1-CB 4.42Å; L56-A103 HydrophobicContact CD2-CB 3.7Å; L56-A103 HydrophobicContact CG-CB 3.8Å; N99-A103 PolarHBondContact O-N 2.85Å; N99-A103 VanDerWaalsContact O-N 3.12Å; E100-A103 PolarHBondContact O-N 3.32Å; L101-A103 VanDerWaalsContact C-N 3.32Å; L101-A103 PolarHBondContact O-N 3.38Å; A103-A106 PolarHBondContact O-N 3.26Å; A103-I107 VanDerWaalsContact O-CG1 3.28Å; A103-I107 WeakPolarHBondContact O-CG1 3.45Å; A103-I107 PolarHBondContact O-N 2.96Å
104	T	97.4	Very high	93.2	Very high	73 Å²	73	57.6 Å²	57.6	45%	0.448	30%	0.303	S	S	.	.	H	α-helix	trans	-63.7	-44	177.4	-57.3	0	0	0	0	111.4	E100 L101 D102 A106 I107 Y108	E100-T104 WeakPolarHBondContact O-CB 3.43Å; E100-T104 PolarHBondContact O-N 3.43Å; E100-T104 PolarHBondContact O-OG1 2.72Å; L101-T104 PolarHBondContact O-N 3.07Å; D102-T104 VanDerWaalsContact C-N 3.35Å; T104-A106 VanDerWaalsContact C-N 3.34Å; T104-A106 PolarHBondContact O-N 3.44Å; T104-I107 PolarHBondContact O-N 3.22Å; T104-Y108 PolarHBondContact O-N 3.33Å
105	I	96.5	Very high	92.9	Very high	53 Å²	53	55.7 Å²	55.7	27%	0.272	28%	0.278	S	S	.	.	H	α-helix	trans	-61.9	-43.6	175.3	-69.6	166.8	0	0	0	110.6	N89 L101 D102 I107 Y108 I109	N89-I105 WeakPolarHBondContact ND2-CD1 3.23Å; L101-I105 HydrophobicContact CD1-CD1 4.43Å; L101-I105 HydrophobicContact CG-CD1 4.1Å; L101-I105 WeakPolarHBondContact O-CG1 3.48Å; L101-I105 PolarHBondContact O-N 3.47Å; D102-I105 PolarHBondContact O-N 3.29Å; I105-I107 VanDerWaalsContact C-N 3.34Å; I105-I107 PolarHBondContact O-N 2.97Å; I105-Y108 PolarHBondContact O-N 3.46Å; I105-I109 HydrophobicContact CG2-CD1 3.76Å; I105-I109 HydrophobicContact CG2-CG1 4.41Å; I105-I109 VanDerWaalsContact O-CG1 3.31Å; I105-I109 WeakPolarHBondContact O-CG1 3.38Å; I105-I109 PolarHBondContact O-N 3.36Å
106	A	95.9	Very high	92.3	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-61.4	-41.8	176.9	0	0	0	0	0	112.5	L56 L85 A86 D102 A103 T104 Y110	L56-A106 HydrophobicContact CD2-CB 4.39Å; L85-A106 HydrophobicContact CB-CB 3.7Å; A86-A106 HydrophobicContact CB-CB 3.87Å; D102-A106 WeakPolarHBondContact O-CB 3.49Å; D102-A106 PolarHBondContact O-N 2.81Å; A103-A106 PolarHBondContact O-N 3.26Å; T104-A106 VanDerWaalsContact C-N 3.34Å; T104-A106 PolarHBondContact O-N 3.44Å; A106-Y110 VanDerWaalsContact O-CB 3.31Å; A106-Y110 WeakPolarHBondContact O-CB 3.4Å; A106-Y110 PolarHBondContact O-N 2.9Å
107	I	95.7	Very high	91.3	Very high	28 Å²	28	59.7 Å²	59.7	14%	0.144	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-50.6	174.8	-71.7	165.5	0	0	0	110.1	L55 L56 Y59 L82 A103 T104 I105 I109 Y110 D111	L55-I107 HydrophobicContact CD2-CD1 4.3Å; L55-I107 HydrophobicContact CG-CD1 3.96Å; L56-I107 HydrophobicContact CD2-CD1 4.14Å; L56-I107 HydrophobicContact CD2-CG1 3.89Å; Y59-I107 HydrophobicContact CD1-CD1 4.47Å; Y59-I107 HydrophobicContact CD1-CG1 3.8Å; Y59-I107 HydrophobicContact CD1-CG2 4.26Å; Y59-I107 HydrophobicContact CD2-CD1 4.44Å; Y59-I107 HydrophobicContact CD2-CG1 4.28Å; Y59-I107 HydrophobicContact CD2-CG2 3.62Å; Y59-I107 HydrophobicContact CE1-CG1 4.34Å; Y59-I107 HydrophobicContact CE1-CG2 4.2Å; Y59-I107 HydrophobicContact CE2-CG2 3.57Å; Y59-I107 HydrophobicContact CG-CB 4.47Å; Y59-I107 HydrophobicContact CG-CD1 3.97Å; Y59-I107 HydrophobicContact CG-CG1 3.75Å; Y59-I107 HydrophobicContact CG-CG2 3.97Å; L82-I107 HydrophobicContact CD2-CG1 4.38Å; A103-I107 VanDerWaalsContact O-CG1 3.28Å; A103-I107 WeakPolarHBondContact O-CG1 3.45Å; A103-I107 PolarHBondContact O-N 2.96Å; T104-I107 PolarHBondContact O-N 3.22Å; I105-I107 VanDerWaalsContact C-N 3.34Å; I105-I107 PolarHBondContact O-N 2.97Å; I107-I109 PolarHBondContact O-N 3.01Å; I107-Y110 PolarHBondContact O-N 3.06Å; I107-D111 WeakPolarHBondContact O-CB 3.42Å; I107-D111 PolarHBondContact O-N 3.35Å
108	Y	94.7	Very high	90.2	Very high	160 Å²	160	59.4 Å²	59.4	63%	0.627	30%	0.3	S	S	*	.	H	α-helix	trans	-57.1	-47.1	179.5	171.7	-101.2	0	0	0	112.5	T104 I105 Y110 D111 T112	T104-Y108 PolarHBondContact O-N 3.33Å; I105-Y108 PolarHBondContact O-N 3.46Å; Y108-Y110 VanDerWaalsContact C-N 3.34Å; Y108-Y110 PolarHBondContact O-N 2.94Å; Y108-D111 PolarHBondContact O-N 2.92Å; Y108-T112 WeakPolarHBondContact O-CB 3.43Å; Y108-T112 PolarHBondContact O-N 3.3Å; Y108-T112 PolarHBondContact O-OG1 3.07Å
109	I	92.3	Very high	88.7	Confident	74 Å²	74	63 Å²	63	38%	0.379	34%	0.337	S	S	.	.	H	α-helix	trans	-61.5	-45.2	177.9	-68.6	168.7	0	0	0	110.5	L85 I105 I107 T112 F113	L85-I109 HydrophobicContact CD1-CG2 4.22Å; L85-I109 HydrophobicContact CD2-CG2 4.47Å; I105-I109 HydrophobicContact CG2-CD1 3.76Å; I105-I109 HydrophobicContact CG2-CG1 4.41Å; I105-I109 VanDerWaalsContact O-CG1 3.31Å; I105-I109 WeakPolarHBondContact O-CG1 3.38Å; I105-I109 PolarHBondContact O-N 3.36Å; I107-I109 PolarHBondContact O-N 3.01Å; I109-T112 PolarHBondContact O-N 3.34Å; I109-F113 WeakPolarHBondContact O-CB 3.18Å; I109-F113 PolarHBondContact O-N 2.69Å
110	Y	91.1	Very high	86.7	Confident	18 Å²	18	71.4 Å²	71.4	7%	0.071	37%	0.366	C	S	.	.	H	α-helix	trans	-69.1	-39.4	-177.1	-164.9	-100.1	0	0	0	112.5	Y59 M63 A78 T81 L82 L85 A106 I107 Y108 F113 I114	Y59-Y110 HydrophobicContact CE1-CD1 4.17Å; M63-Y110 HydrophobicContact CE-CE1 4.15Å; M63-Y110 HydrophobicContact SD-CD1 4.38Å; M63-Y110 HydrophobicContact SD-CE1 3.77Å; A78-Y110 HydrophobicContact CB-CE1 3.92Å; A78-Y110 WeakPolarHBondContact CB-OH 3.39Å; T81-Y110 HydrophobicContact CG2-CD2 4.23Å; T81-Y110 HydrophobicContact CG2-CE2 4.09Å; L82-Y110 HydrophobicContact CD2-CD1 4.2Å; L82-Y110 HydrophobicContact CD2-CG 3.87Å; L82-Y110 HydrophobicContact CG-CG 4.35Å; L85-Y110 HydrophobicContact CD1-CD2 4.46Å; A106-Y110 VanDerWaalsContact O-CB 3.31Å; A106-Y110 WeakPolarHBondContact O-CB 3.4Å; A106-Y110 PolarHBondContact O-N 2.9Å; I107-Y110 PolarHBondContact O-N 3.06Å; Y108-Y110 VanDerWaalsContact C-N 3.34Å; Y108-Y110 PolarHBondContact O-N 2.94Å; Y110-F113 WeakPolarHBondContact O-CB 3.45Å; Y110-F113 PolarHBondContact O-N 3.49Å; Y110-I114 HydrophobicContact CD1-CD1 3.74Å; Y110-I114 HydrophobicContact CD1-CG1 4.33Å; Y110-I114 HydrophobicContact CE1-CD1 3.33Å; Y110-I114 HydrophobicContact CE1-CG1 4.05Å; Y110-I114 WeakPolarHBondContact O-CG1 3.28Å; Y110-I114 PolarHBondContact O-N 2.83Å
111	D	88.7	Confident	86.2	Confident	81 Å²	81	71.4 Å²	71.4	43%	0.433	37%	0.367	S	S	.	.	H	α-helix	trans	-66.8	-40.5	176.7	-162.1	45.4	0	0	0	111.5	Y59 I107 Y108 F113 I114 S115	Y59-D111 PolarHBondContact OH-OD1 3.41Å; I107-D111 WeakPolarHBondContact O-CB 3.42Å; I107-D111 PolarHBondContact O-N 3.35Å; Y108-D111 PolarHBondContact O-N 2.92Å; D111-F113 VanDerWaalsContact C-N 3.31Å; D111-F113 PolarHBondContact O-N 3.16Å; D111-I114 PolarHBondContact O-N 2.92Å; D111-S115 WeakPolarHBondContact O-CB 3.32Å; D111-S115 PolarHBondContact O-N 3.46Å; D111-S115 PolarHBondContact O-OG 2.88Å
112	T	87.4	Confident	85.6	Confident	50 Å²	50	69.4 Å²	69.4	31%	0.307	36%	0.357	S	S	.	.	H	α-helix	trans	-60.8	-42	172.5	-55.9	0	0	0	0	111.2	Y108 I109 S115 N116	Y108-T112 WeakPolarHBondContact O-CB 3.43Å; Y108-T112 PolarHBondContact O-N 3.3Å; Y108-T112 PolarHBondContact O-OG1 3.07Å; I109-T112 PolarHBondContact O-N 3.34Å; T112-S115 PolarHBondContact O-N 3.28Å; T112-N116 WeakPolarHBondContact O-CB 3.41Å; T112-N116 VanDerWaalsContact O-CG 3.27Å; T112-N116 PolarHBondContact O-N 3.28Å; T112-N116 PolarHBondContact O-ND2 2.99Å
113	F	86	Confident	85	Confident	103 Å²	103	73.3 Å²	73.3	45%	0.452	38%	0.376	S	S	.	.	H	α-helix	trans	-61.8	-45.5	175.6	172.6	-98.1	0	0	0	112.1	I109 Y110 D111 N116 Q117	I109-F113 WeakPolarHBondContact O-CB 3.18Å; I109-F113 PolarHBondContact O-N 2.69Å; Y110-F113 WeakPolarHBondContact O-CB 3.45Å; Y110-F113 PolarHBondContact O-N 3.49Å; D111-F113 VanDerWaalsContact C-N 3.31Å; D111-F113 PolarHBondContact O-N 3.16Å; F113-N116 PolarHBondContact O-N 3.2Å; F113-Q117 HydrophobicContact CE1-CG 4.4Å; F113-Q117 HydrophobicContact CE2-CG 4.45Å; F113-Q117 HydrophobicContact CZ-CG 4.28Å; F113-Q117 WeakPolarHBondContact O-CG 3.5Å; F113-Q117 PolarHBondContact O-N 3.39Å
114	I	82.3	Confident	84.2	Confident	42 Å²	42	77.6 Å²	77.6	22%	0.215	40%	0.399	C	S	.	.	H	α-helix	trans	-63.2	-44.2	176.3	-72.4	179.1	0	0	0	111.1	M63 Y110 D111 N116 Q117 T118	M63-I114 HydrophobicContact SD-CD1 3.48Å; M63-I114 WeakPolarHBondContact SD-CD1 3.38Å; Y110-I114 HydrophobicContact CD1-CD1 3.74Å; Y110-I114 HydrophobicContact CD1-CG1 4.33Å; Y110-I114 HydrophobicContact CE1-CD1 3.33Å; Y110-I114 HydrophobicContact CE1-CG1 4.05Å; Y110-I114 WeakPolarHBondContact O-CG1 3.28Å; Y110-I114 PolarHBondContact O-N 2.83Å; D111-I114 PolarHBondContact O-N 2.92Å; I114-N116 VanDerWaalsContact C-N 3.35Å; I114-N116 PolarHBondContact O-N 3.05Å; I114-Q117 PolarHBondContact O-N 3.14Å; I114-Q117 VanDerWaalsContact O-N 3.14Å; I114-T118 HydrophobicContact CG2-CG2 4.18Å; I114-T118 WeakPolarHBondContact O-CB 3.49Å; I114-T118 WeakPolarHBondContact O-CG2 3.43Å; I114-T118 PolarHBondContact O-N 2.98Å; I114-T118 PolarHBondContact O-OG1 3.07Å
115	S	81.2	Confident	83.4	Confident	31 Å²	31	77.9 Å²	77.9	22%	0.217	40%	0.396	C	S	.	.	H	α-helix	trans	-58.5	-48.1	179.4	-60.4	0	0	0	0	110.5	D111 T112 Q117 T118 G119 R120	D111-S115 WeakPolarHBondContact O-CB 3.32Å; D111-S115 PolarHBondContact O-N 3.46Å; D111-S115 PolarHBondContact O-OG 2.88Å; T112-S115 PolarHBondContact O-N 3.28Å; S115-Q117 VanDerWaalsContact C-N 3.31Å; S115-Q117 PolarHBondContact O-N 3.08Å; S115-T118 PolarHBondContact O-N 2.77Å; S115-T118 PolarHBondContact O-OG1 2.73Å; S115-G119 PolarHBondContact O-N 3.11Å; S115-R120 WeakPolarHBondContact CB-O 3.34Å; S115-R120 PolarHBondContact O-N 2.87Å
116	N	77.9	Confident	82.5	Confident	130 Å²	130	79.5 Å²	79.5	70%	0.695	40%	0.404	S	S	*	.	H	α-helix	trans	-60.4	-34.5	175.1	-72.7	-22.2	0	0	0	113.8	T112 F113 I114	T112-N116 WeakPolarHBondContact O-CB 3.41Å; T112-N116 VanDerWaalsContact O-CG 3.27Å; T112-N116 PolarHBondContact O-N 3.28Å; T112-N116 PolarHBondContact O-ND2 2.99Å; F113-N116 PolarHBondContact O-N 3.2Å; I114-N116 VanDerWaalsContact C-N 3.35Å; I114-N116 PolarHBondContact O-N 3.05Å
117	Q	72.9	Confident	81.6	Confident	135 Å²	135	85.1 Å²	85.1	63%	0.631	43%	0.432	S	S	*	.	H	α-helix	trans	-77.7	-24.5	175.8	-73.2	-157.9	-11.4	0	0	113.8	F113 I114 S115	F113-Q117 HydrophobicContact CE1-CG 4.4Å; F113-Q117 HydrophobicContact CE2-CG 4.45Å; F113-Q117 HydrophobicContact CZ-CG 4.28Å; F113-Q117 WeakPolarHBondContact O-CG 3.5Å; F113-Q117 PolarHBondContact O-N 3.39Å; I114-Q117 PolarHBondContact O-N 3.14Å; I114-Q117 VanDerWaalsContact O-N 3.14Å; S115-Q117 VanDerWaalsContact C-N 3.31Å; S115-Q117 PolarHBondContact O-N 3.08Å
118	T	71.5	Confident	80.5	Confident	44 Å²	44	89.5 Å²	89.5	27%	0.27	45%	0.454	S	S	.	.	H	α-helix	trans	-103.1	-8.6	-174	58.6	0	0	0	0	113.7	K72 I114 S115	K72-T118 HydrophobicContact CD-CG2 4.07Å; I114-T118 HydrophobicContact CG2-CG2 4.18Å; I114-T118 WeakPolarHBondContact O-CB 3.49Å; I114-T118 WeakPolarHBondContact O-CG2 3.43Å; I114-T118 PolarHBondContact O-N 2.98Å; I114-T118 PolarHBondContact O-OG1 3.07Å; S115-T118 PolarHBondContact O-N 2.77Å; S115-T118 PolarHBondContact O-OG1 2.73Å
119	G	64.7	Low	79.3	Confident	75 Å²	75	83.7 Å²	83.7	77%	0.773	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	25.7	-176.4	0	0	0	0	0	112.8	S115	S115-G119 PolarHBondContact O-N 3.11Å
120	R	55.8	Low	78.1	Confident	221 Å²	221	84.5 Å²	84.5	83%	0.834	45%	0.445	S	S	*	.			trans	-94.7	0	172.4	-75.8	-174.1	176.1	168.8	0.1	110.5	D70 S115	D70-R120 IonicContact OD2-CZ 3.28Å; D70-R120 VanDerWaalsContact OD2-CZ 3.28Å; D70-R120 IonicContact OD2-NH1 2.81Å; D70-R120 PolarHBondContact OD2-NH1 3.46Å; D70-R120 IonicContact OD2-NH2 2.8Å; D70-R120 PolarHBondContact OD2-NH2 3.39Å; S115-R120 WeakPolarHBondContact CB-O 3.34Å; S115-R120 PolarHBondContact O-N 2.87Å

Retrieved 120 of 120 residues in 31.3 ms (Link to these results)

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