A0A089N3F1_MOUSE Loading...

ABPBG3

AlphaFold DB , UniProt , Accession A0A089N3F1, Species MOUSE (Mus musculus, Mouse), Gene Abpbg3, Length 110 aa.

						>A0A089N3F1_MOUSE|A0A089N3F1|Abpbg3
MKGTLLLLAFLVIGELGFQTKACASFFGVYLSTVSGKRLWLHHELSYFNPTDGETKSFKKIQDCYEEAGLKAKSQDVQFMASMFFSSECLKYYSNDTMTKILSVITKKWM
					

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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	37.9	Very low	52.4	Low	196 Å²	196	96.9 Å²	96.9	97%	0.966	51%	0.512	S	S	*	.				0	113.2	0	-66.9	157.2	61.7	0	0	107.1	T4	M1-T4 WeakPolarHBondContact CB-OG1 3.45Å; M1-T4 HydrophobicContact CE-CG2 4.28Å
2	K	44.1	Very low	52.6	Low	194 Å²	194	92.8 Å²	92.8	84%	0.843	49%	0.493	S	S	*	.			trans	-113.6	5.9	-161.3	-74.3	179	176	175.4	0	115.1
3	G	50.2	Low	52.9	Low	40 Å²	40	87.6 Å²	87.6	41%	0.412	47%	0.465	S	S	.	.	S	Bend	trans	-128.7	8.2	179.1	0	0	0	0	0	113.1	L7	G3-L7 WeakPolarHBondContact O-CB 3.47Å; G3-L7 PolarHBondContact O-N 2.96Å
4	T	55.1	Low	52.7	Low	58 Å²	58	85.9 Å²	85.9	36%	0.356	48%	0.479	S	S	.	.	H	α-helix	trans	-78.8	-28.9	-164	-46.2	0	0	0	0	112.3	M1 L8	M1-T4 WeakPolarHBondContact CB-OG1 3.45Å; M1-T4 HydrophobicContact CE-CG2 4.28Å; T4-L8 HydrophobicContact CG2-CD1 3.74Å; T4-L8 WeakPolarHBondContact O-CA 3.35Å; T4-L8 WeakPolarHBondContact O-CB 3.48Å; T4-L8 VanDerWaalsContact O-CD1 3.25Å; T4-L8 WeakPolarHBondContact O-CD1 3.13Å; T4-L8 PolarHBondContact O-N 3.42Å
5	L	57.7	Low	52.1	Low	58 Å²	58	91.1 Å²	91.1	30%	0.304	50%	0.498	S	S	.	.	H	α-helix	trans	-79.1	-40.3	-175.4	-149.2	89.7	0	0	0	113.2	L8 A9 F48 P50 E54	L5-L8 PolarHBondContact O-N 3.49Å; L5-A9 PolarHBondContact O-N 3.15Å; L5-F48 WeakPolarHBondContact CD1-O 3.42Å; L5-F48 HydrophobicContact CD2-CB 3.7Å; L5-F48 HydrophobicContact CG-CB 4.43Å; L5-P50 HydrophobicContact CD2-CB 4.46Å; L5-E54 WeakPolarHBondContact CB-OE1 3.39Å
6	L	58.2	Low	51.7	Low	81 Å²	81	91.6 Å²	91.6	42%	0.424	50%	0.499	S	S	.	.	H	α-helix	trans	-72.7	-41.6	178.9	-152.6	132	0	0	0	110.6	A9 F10 F58	L6-A9 PolarHBondContact O-N 2.97Å; L6-F10 HydrophobicContact CD2-CD2 3.94Å; L6-F10 HydrophobicContact CD2-CE2 3.66Å; L6-F10 HydrophobicContact CG-CE2 4.44Å; L6-F10 VanDerWaalsContact O-CD2 3.23Å; L6-F10 WeakPolarHBondContact O-CD2 3.49Å; L6-F10 PolarHBondContact O-N 2.78Å; L6-F10 VanDerWaalsContact O-N 3.08Å; L6-F58 HydrophobicContact CD1-CE1 4.5Å; L6-F58 HydrophobicContact CD1-CE2 3.73Å; L6-F58 HydrophobicContact CD1-CZ 3.54Å
7	L	53.5	Low	51.7	Low	107 Å²	107	88.4 Å²	88.4	56%	0.56	49%	0.493	S	S	*	.	H	α-helix	trans	-61.8	-40.4	166.6	-105.8	144.2	0	0	0	111.5	G3 F10 L11	G3-L7 WeakPolarHBondContact O-CB 3.47Å; G3-L7 PolarHBondContact O-N 2.96Å; L7-F10 PolarHBondContact O-N 3.42Å; L7-L11 HydrophobicContact CB-CD1 4.3Å; L7-L11 HydrophobicContact CD2-CD1 3.81Å; L7-L11 HydrophobicContact CD2-CG 4.25Å; L7-L11 WeakPolarHBondContact O-CB 3.41Å; L7-L11 WeakPolarHBondContact O-CD1 3.43Å; L7-L11 WeakPolarHBondContact O-CG 3.4Å; L7-L11 PolarHBondContact O-N 2.61Å
8	L	54.8	Low	51.7	Low	91 Å²	91	87.2 Å²	87.2	48%	0.476	48%	0.481	S	S	.	.	H	α-helix	trans	-63.4	-41	175	-116.9	96.1	0	0	0	111.6	T4 L5 L11 V12	T4-L8 HydrophobicContact CG2-CD1 3.74Å; T4-L8 WeakPolarHBondContact O-CA 3.35Å; T4-L8 WeakPolarHBondContact O-CB 3.48Å; T4-L8 VanDerWaalsContact O-CD1 3.25Å; T4-L8 WeakPolarHBondContact O-CD1 3.13Å; T4-L8 PolarHBondContact O-N 3.42Å; L5-L8 PolarHBondContact O-N 3.49Å; L8-L11 PolarHBondContact O-N 3.17Å; L8-V12 WeakPolarHBondContact O-CA 3.44Å; L8-V12 WeakPolarHBondContact O-CB 3.24Å; L8-V12 WeakPolarHBondContact O-CG2 3.31Å; L8-V12 PolarHBondContact O-N 3.34Å
9	A	56.8	Low	51.8	Low	42 Å²	42	88.5 Å²	88.5	35%	0.347	48%	0.483	S	S	.	.	H	α-helix	trans	-63.2	-43.4	178.6	0	0	0	0	0	111	L5 L6 I13	L5-A9 PolarHBondContact O-N 3.15Å; L6-A9 PolarHBondContact O-N 2.97Å; A9-I13 VanDerWaalsContact O-CD1 3.3Å; A9-I13 WeakPolarHBondContact O-CD1 3.25Å; A9-I13 WeakPolarHBondContact O-CG1 3.42Å; A9-I13 PolarHBondContact O-N 3.38Å
10	F	57.7	Low	52	Low	120 Å²	120	87.4 Å²	87.4	53%	0.526	48%	0.48	S	S	.	.	H	α-helix	trans	-68.8	-39.8	173.8	-79.6	-66.4	0	0	0	113.2	L6 L7 I13 G14 F26	L6-F10 HydrophobicContact CD2-CD2 3.94Å; L6-F10 HydrophobicContact CD2-CE2 3.66Å; L6-F10 HydrophobicContact CG-CE2 4.44Å; L6-F10 VanDerWaalsContact O-CD2 3.23Å; L6-F10 WeakPolarHBondContact O-CD2 3.49Å; L6-F10 PolarHBondContact O-N 2.78Å; L6-F10 VanDerWaalsContact O-N 3.08Å; L7-F10 PolarHBondContact O-N 3.42Å; F10-I13 PolarHBondContact O-N 3.07Å; F10-G14 PolarHBondContact O-N 3.47Å; F10-F26 HydrophobicContact CE1-CE2 4.3Å; F10-F26 HydrophobicContact CZ-CE2 4.31Å
11	L	51	Low	52.2	Low	79 Å²	79	91.1 Å²	91.1	41%	0.414	49%	0.491	S	S	.	.	H	α-helix	trans	-69	-37.4	177.2	-78.4	162.7	0	0	0	111.9	L7 L8 I13 G14 E15	L7-L11 HydrophobicContact CB-CD1 4.3Å; L7-L11 HydrophobicContact CD2-CD1 3.81Å; L7-L11 HydrophobicContact CD2-CG 4.25Å; L7-L11 WeakPolarHBondContact O-CB 3.41Å; L7-L11 WeakPolarHBondContact O-CD1 3.43Å; L7-L11 WeakPolarHBondContact O-CG 3.4Å; L7-L11 PolarHBondContact O-N 2.61Å; L8-L11 PolarHBondContact O-N 3.17Å; L11-I13 VanDerWaalsContact C-N 3.33Å; L11-G14 CarbonylContact O-C 3.59Å; L11-G14 PolarHBondContact O-N 3.29Å; L11-E15 WeakPolarHBondContact O-CB 3.5Å; L11-E15 PolarHBondContact O-N 2.57Å
12	V	53.9	Low	53.3	Low	47 Å²	47	82.8 Å²	82.8	29%	0.285	45%	0.453	S	S	.	.	H	α-helix	trans	-64.6	-39.4	174	160.6	0	0	0	0	110.3	L8 G14 L16 A22	L8-V12 WeakPolarHBondContact O-CA 3.44Å; L8-V12 WeakPolarHBondContact O-CB 3.24Å; L8-V12 WeakPolarHBondContact O-CG2 3.31Å; L8-V12 PolarHBondContact O-N 3.34Å; V12-G14 VanDerWaalsContact C-N 3.33Å; V12-L16 HydrophobicContact CB-CD1 4.29Å; V12-L16 HydrophobicContact CG1-CD1 3.77Å; V12-L16 HydrophobicContact CG2-CD1 4.22Å; V12-L16 WeakPolarHBondContact O-CB 3.33Å; V12-L16 PolarHBondContact O-N 3.39Å; V12-A22 HydrophobicContact CG1-CB 3.95Å
13	I	56.9	Low	54.5	Low	26 Å²	26	73.8 Å²	73.8	13%	0.133	42%	0.415	C	S	.	.	H	α-helix	trans	-66.5	-36.7	174.1	-66.7	163.5	0	0	0	111.1	A9 F10 L11 F18 A22 F26	A9-I13 VanDerWaalsContact O-CD1 3.3Å; A9-I13 WeakPolarHBondContact O-CD1 3.25Å; A9-I13 WeakPolarHBondContact O-CG1 3.42Å; A9-I13 PolarHBondContact O-N 3.38Å; F10-I13 PolarHBondContact O-N 3.07Å; L11-I13 VanDerWaalsContact C-N 3.33Å; I13-F18 HydrophobicContact CG2-CD1 3.95Å; I13-F18 HydrophobicContact CG2-CD2 4.44Å; I13-F18 HydrophobicContact CG2-CE1 3.45Å; I13-F18 VanDerWaalsContact CG2-CE1 3.45Å; I13-F18 HydrophobicContact CG2-CE2 3.98Å; I13-F18 HydrophobicContact CG2-CG 4.43Å; I13-F18 HydrophobicContact CG2-CZ 3.47Å; I13-F18 VanDerWaalsContact CG2-CZ 3.47Å; I13-A22 HydrophobicContact CG1-CB 4.12Å; I13-F26 HydrophobicContact CD1-CB 4.14Å; I13-F26 HydrophobicContact CD1-CD2 4.27Å; I13-F26 HydrophobicContact CD1-CG 4.38Å
14	G	50.4	Low	55.5	Low	64 Å²	64	74.9 Å²	74.9	66%	0.66	42%	0.42	S	S	*	.	H	α-helix	trans	-77.7	-41	179.5	0	0	0	0	0	115.4	F10 L11 V12	F10-G14 PolarHBondContact O-N 3.47Å; L11-G14 CarbonylContact O-C 3.59Å; L11-G14 PolarHBondContact O-N 3.29Å; V12-G14 VanDerWaalsContact C-N 3.33Å
15	E	43.6	Very low	56.5	Low	163 Å²	163	74.2 Å²	74.2	76%	0.762	42%	0.418	S	S	*	.	H	α-helix	trans	-91.6	-33.5	-172.7	-70.9	-168	159.3	0	0	113.9	L11 G17	L11-E15 WeakPolarHBondContact O-CB 3.5Å; L11-E15 PolarHBondContact O-N 2.57Å; E15-G17 VanDerWaalsContact C-N 3.3Å
16	L	45.5	Very low	57.6	Low	100 Å²	100	74.8 Å²	74.8	52%	0.524	42%	0.418	S	S	.	.	S	Bend	trans	-88.4	-0.3	-179.6	-75.4	150.6	0	0	0	113.1	V12	V12-L16 HydrophobicContact CB-CD1 4.29Å; V12-L16 HydrophobicContact CG1-CD1 3.77Å; V12-L16 HydrophobicContact CG2-CD1 4.22Å; V12-L16 WeakPolarHBondContact O-CB 3.33Å; V12-L16 PolarHBondContact O-N 3.39Å
17	G	52	Low	58.8	Low	37 Å²	37	73 Å²	73	38%	0.381	41%	0.407	S	S	.	.			trans	59.5	170	-158.3	0	0	0	0	0	110.5	E15 Q19	E15-G17 VanDerWaalsContact C-N 3.3Å; G17-Q19 PolarHBondContact O-N 3.47Å
18	F	52.2	Low	60.3	Low	66 Å²	66	68.5 Å²	68.5	29%	0.289	39%	0.386	S	S	.	.			trans	-66.6	75.4	176.6	-77.3	-90.8	0	0	0	111.5	I13 T20 C23 Y93	I13-F18 HydrophobicContact CG2-CD1 3.95Å; I13-F18 HydrophobicContact CG2-CD2 4.44Å; I13-F18 HydrophobicContact CG2-CE1 3.45Å; I13-F18 VanDerWaalsContact CG2-CE1 3.45Å; I13-F18 HydrophobicContact CG2-CE2 3.98Å; I13-F18 HydrophobicContact CG2-CG 4.43Å; I13-F18 HydrophobicContact CG2-CZ 3.47Å; I13-F18 VanDerWaalsContact CG2-CZ 3.47Å; F18-T20 PolarHBondContact O-N 3.24Å; F18-C23 HydrophobicContact CD1-CB 4.09Å; F18-Y93 HydrophobicContact CB-CD1 4.32Å; F18-Y93 HydrophobicContact CB-CE1 4.38Å; F18-Y93 AromaticContact CD1-CE1 3.86Å; F18-Y93 HydrophobicContact CD1-CE1 3.86Å; F18-Y93 HydrophobicContact CD2-CD1 4.2Å; F18-Y93 AromaticContact CD2-CE1 3.76Å; F18-Y93 HydrophobicContact CD2-CE1 3.76Å; F18-Y93 AromaticContact CE1-CE1 3.96Å; F18-Y93 HydrophobicContact CE1-CE1 3.96Å; F18-Y93 AromaticContact CE2-CE1 3.88Å; F18-Y93 HydrophobicContact CE2-CE1 3.88Å; F18-Y93 HydrophobicContact CG-CD1 4.15Å; F18-Y93 AromaticContact CG-CE1 3.75Å; F18-Y93 HydrophobicContact CG-CE1 3.75Å; F18-Y93 AromaticContact CZ-CE1 3.97Å; F18-Y93 HydrophobicContact CZ-CE1 3.97Å
19	Q	52.8	Low	61.8	Low	112 Å²	112	64.9 Å²	64.9	52%	0.523	37%	0.367	S	S	.	.			trans	-60	128.1	158.2	-76.9	-169	-6.5	0	0	107	G17 K21 A22 C23	G17-Q19 PolarHBondContact O-N 3.47Å; Q19-K21 PolarHBondContact O-N 3.45Å; Q19-A22 PolarHBondContact O-N 3.48Å; Q19-C23 PolarHBondContact O-N 2.67Å
20	T	56	Low	63.4	Low	66 Å²	66	64.2 Å²	64.2	41%	0.405	36%	0.356	S	S	.	.	H	α-helix	trans	-47.5	-31.9	-177.2	42.9	0	0	0	0	113.4	F18 A24 T97 K100	F18-T20 PolarHBondContact O-N 3.24Å; T20-A24 VanDerWaalsContact O-CB 3.3Å; T20-A24 WeakPolarHBondContact O-CB 3.47Å; T20-A24 PolarHBondContact O-N 3.03Å; T20-T97 HydrophobicContact CG2-CG2 4.34Å; T20-K100 HydrophobicContact CG2-CD 4.26Å
21	K	56	Low	65	Low	167 Å²	167	61.8 Å²	61.8	73%	0.726	35%	0.348	S	S	*	.	H	α-helix	trans	-64.7	-45	175.8	-68.8	-175.8	178.2	179.2	0	113.5	Q19 A24 S25	Q19-K21 PolarHBondContact O-N 3.45Å; K21-A24 PolarHBondContact O-N 3.14Å; K21-S25 PolarHBondContact O-N 3Å; K21-S25 PolarHBondContact O-OG 3.42Å
22	A	62	Low	67	Low	20 Å²	20	58 Å²	58	17%	0.165	33%	0.329	C	S	.	.	H	α-helix	trans	-68.2	-39.6	-179.1	0	0	0	0	0	111.8	V12 I13 Q19 S25 F26	V12-A22 HydrophobicContact CG1-CB 3.95Å; I13-A22 HydrophobicContact CG1-CB 4.12Å; Q19-A22 PolarHBondContact O-N 3.48Å; A22-S25 PolarHBondContact O-N 3.35Å; A22-F26 WeakPolarHBondContact O-CB 3.46Å; A22-F26 PolarHBondContact O-N 2.8Å
23	C	69.3	Low	68.8	Low	5 Å²	5	56.1 Å²	56.1	3%	0.034	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-46.8	175.3	-167.1	0	0	0	0	111.6	F18 Q19 S25 F26 F27	F18-C23 HydrophobicContact CD1-CB 4.09Å; Q19-C23 PolarHBondContact O-N 2.67Å; C23-S25 PolarHBondContact O-N 3.45Å; C23-F26 PolarHBondContact O-N 3.11Å; C23-F27 WeakPolarHBondContact O-CD2 3.44Å; C23-F27 PolarHBondContact O-N 3.08Å; C23-F27 VanDerWaalsContact O-N 3.08Å; C23-F27 VanDerWaalsContact SG-CE2 3.52Å
24	A	70.9	Confident	70.6	Confident	64 Å²	64	55.2 Å²	55.2	53%	0.529	31%	0.313	S	S	.	.	H	α-helix	trans	-60.2	-44.3	177.8	0	0	0	0	0	112	T20 K21 F27 G28	T20-A24 VanDerWaalsContact O-CB 3.3Å; T20-A24 WeakPolarHBondContact O-CB 3.47Å; T20-A24 PolarHBondContact O-N 3.03Å; K21-A24 PolarHBondContact O-N 3.14Å; A24-F27 PolarHBondContact O-N 3.44Å; A24-G28 PolarHBondContact O-N 2.98Å
25	S	76.1	Confident	72.6	Confident	44 Å²	44	53.8 Å²	53.8	31%	0.308	29%	0.293	S	S	.	.	H	α-helix	trans	-71.9	-33.8	-179.5	-43.6	0	0	0	0	113	K21 A22 C23 G28 V29 F48	K21-S25 PolarHBondContact O-N 3Å; K21-S25 PolarHBondContact O-OG 3.42Å; A22-S25 PolarHBondContact O-N 3.35Å; C23-S25 PolarHBondContact O-N 3.45Å; S25-G28 PolarHBondContact O-N 2.98Å; S25-V29 WeakPolarHBondContact O-CG2 3.35Å; S25-V29 PolarHBondContact O-N 3.29Å; S25-F48 VanDerWaalsContact CB-CZ 3.46Å
26	F	80.4	Confident	74.9	Confident	69 Å²	69	46.7 Å²	46.7	30%	0.303	26%	0.264	S	S	.	.	H	α-helix	trans	-57.8	-50.9	170.1	171.4	-93.7	0	0	0	111.1	F10 I13 A22 C23 G28 V29 Y30 M80	F10-F26 HydrophobicContact CE1-CE2 4.3Å; F10-F26 HydrophobicContact CZ-CE2 4.31Å; I13-F26 HydrophobicContact CD1-CB 4.14Å; I13-F26 HydrophobicContact CD1-CD2 4.27Å; I13-F26 HydrophobicContact CD1-CG 4.38Å; A22-F26 WeakPolarHBondContact O-CB 3.46Å; A22-F26 PolarHBondContact O-N 2.8Å; C23-F26 PolarHBondContact O-N 3.11Å; F26-G28 VanDerWaalsContact C-N 3.31Å; F26-G28 PolarHBondContact O-N 3.35Å; F26-V29 PolarHBondContact O-N 3.06Å; F26-Y30 WeakPolarHBondContact O-CB 3Å; F26-Y30 PolarHBondContact O-N 2.84Å; F26-M80 HydrophobicContact CE1-SD 4.46Å
27	F	82.1	Confident	77.3	Confident	45 Å²	45	48.5 Å²	48.5	20%	0.197	27%	0.267	C	S	.	.	H	α-helix	trans	-65.9	-33.4	179.6	-77.9	-62.6	0	0	0	112.8	C23 A24 Y30 L31 M80 F84	C23-F27 WeakPolarHBondContact O-CD2 3.44Å; C23-F27 PolarHBondContact O-N 3.08Å; C23-F27 VanDerWaalsContact O-N 3.08Å; C23-F27 VanDerWaalsContact SG-CE2 3.52Å; A24-F27 PolarHBondContact O-N 3.44Å; F27-Y30 HydrophobicContact CD1-CD1 4.29Å; F27-L31 VanDerWaalsContact O-CB 3.24Å; F27-L31 WeakPolarHBondContact O-CB 3.27Å; F27-L31 WeakPolarHBondContact O-CG 3.22Å; F27-L31 PolarHBondContact O-N 3.2Å; F27-M80 HydrophobicContact CE1-CG 4.22Å; F27-F84 AromaticContact CE2-CD2 3.89Å; F27-F84 HydrophobicContact CE2-CD2 3.89Å; F27-F84 AromaticContact CE2-CE2 3.52Å; F27-F84 HydrophobicContact CE2-CE2 3.52Å; F27-F84 HydrophobicContact CE2-CG 4.49Å; F27-F84 AromaticContact CE2-CZ 3.88Å; F27-F84 HydrophobicContact CE2-CZ 3.88Å; F27-F84 HydrophobicContact CZ-CB 4.47Å; F27-F84 HydrophobicContact CZ-CD1 4.41Å; F27-F84 AromaticContact CZ-CD2 3.44Å; F27-F84 HydrophobicContact CZ-CD2 3.44Å; F27-F84 VanDerWaalsContact CZ-CD2 3.44Å; F27-F84 AromaticContact CZ-CE2 3.61Å; F27-F84 HydrophobicContact CZ-CE2 3.61Å; F27-F84 AromaticContact CZ-CG 3.85Å; F27-F84 HydrophobicContact CZ-CG 3.85Å; F27-F84 HydrophobicContact CZ-CZ 4.19Å
28	G	85.2	Confident	79.3	Confident	11 Å²	11	51.2 Å²	51.2	11%	0.113	27%	0.266	C	S	.	.	H	α-helix	trans	-58.5	-52	171.8	0	0	0	0	0	112.2	A24 S25 F26 S32	A24-G28 PolarHBondContact O-N 2.98Å; S25-G28 PolarHBondContact O-N 2.98Å; F26-G28 VanDerWaalsContact C-N 3.31Å; F26-G28 PolarHBondContact O-N 3.35Å; G28-S32 VanDerWaalsContact O-CB 3.31Å; G28-S32 WeakPolarHBondContact O-CB 3.28Å; G28-S32 PolarHBondContact O-N 3.18Å; G28-S32 PolarHBondContact O-OG 3.2Å
29	V	88.1	Confident	81.4	Confident	15 Å²	15	55.2 Å²	55.2	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-65.8	-42.5	178.1	176.4	0	0	0	0	111.7	S25 F26 S32 T33 E44 L45 F48 F58	S25-V29 WeakPolarHBondContact O-CG2 3.35Å; S25-V29 PolarHBondContact O-N 3.29Å; F26-V29 PolarHBondContact O-N 3.06Å; V29-S32 WeakPolarHBondContact CA-OG 3.35Å; V29-S32 PolarHBondContact O-OG 3.46Å; V29-T33 WeakPolarHBondContact O-CB 3.3Å; V29-T33 PolarHBondContact O-N 2.9Å; V29-T33 PolarHBondContact O-OG1 2.95Å; V29-E44 HydrophobicContact CG2-CB 4.14Å; V29-L45 HydrophobicContact CG1-CD2 4.01Å; V29-L45 HydrophobicContact CG2-CD2 4.35Å; V29-F48 HydrophobicContact CG2-CD2 4.45Å; V29-F48 HydrophobicContact CG2-CE2 3.65Å; V29-F48 HydrophobicContact CG2-CZ 4.3Å; V29-F58 HydrophobicContact CG1-CD1 4.06Å; V29-F58 HydrophobicContact CG1-CE1 3.43Å; V29-F58 VanDerWaalsContact CG1-CE1 3.43Å; V29-F58 HydrophobicContact CG1-CZ 3.72Å
30	Y	89.9	Confident	83.4	Confident	28 Å²	28	53.8 Å²	53.8	11%	0.11	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-54	176.8	167.4	-103.9	0	0	0	111.9	F26 F27 S32 T33 V34 D76 V77 M80	F26-Y30 WeakPolarHBondContact O-CB 3Å; F26-Y30 PolarHBondContact O-N 2.84Å; F27-Y30 HydrophobicContact CD1-CD1 4.29Å; Y30-S32 PolarHBondContact O-N 3.45Å; Y30-T33 WeakPolarHBondContact O-CB 3.4Å; Y30-T33 PolarHBondContact O-N 2.98Å; Y30-T33 VanDerWaalsContact O-N 3.13Å; Y30-V34 HydrophobicContact CD2-CG2 4.05Å; Y30-V34 HydrophobicContact CE1-CG2 4.32Å; Y30-V34 HydrophobicContact CE2-CG2 3.56Å; Y30-V34 WeakPolarHBondContact O-CG2 3.25Å; Y30-V34 PolarHBondContact O-N 3.49Å; Y30-D76 VanDerWaalsContact CE2-OD2 3.29Å; Y30-D76 WeakPolarHBondContact CE2-OD2 3.47Å; Y30-D76 PolarHBondContact OH-O 3.08Å; Y30-D76 PolarHBondContact OH-OD2 3.29Å; Y30-V77 WeakPolarHBondContact OH-CA 3.42Å; Y30-V77 PolarHBondContact OH-N 3.07Å; Y30-M80 HydrophobicContact CD1-CG 4.34Å; Y30-M80 HydrophobicContact CE1-CB 4.08Å; Y30-M80 HydrophobicContact CE1-CG 3.76Å; Y30-M80 HydrophobicContact CE2-CE 4.19Å; Y30-M80 HydrophobicContact CE2-CG 4.36Å; Y30-M80 WeakPolarHBondContact OH-CB 3.33Å
31	L	90.8	Very high	85.1	Confident	69 Å²	69	50.8 Å²	50.8	36%	0.361	26%	0.261	S	S	.	.	H	α-helix	trans	-64.6	-39.6	-177.8	-70.5	173.7	0	0	0	111.9	F27 T33 V34 S35 W40	F27-L31 VanDerWaalsContact O-CB 3.24Å; F27-L31 WeakPolarHBondContact O-CB 3.27Å; F27-L31 WeakPolarHBondContact O-CG 3.22Å; F27-L31 PolarHBondContact O-N 3.2Å; L31-T33 VanDerWaalsContact C-N 3.32Å; L31-T33 PolarHBondContact O-N 3.13Å; L31-V34 PolarHBondContact O-N 3.34Å; L31-S35 WeakPolarHBondContact O-CB 3.49Å; L31-S35 PolarHBondContact O-N 2.89Å; L31-W40 HydrophobicContact CB-CH2 4.15Å; L31-W40 HydrophobicContact CB-CZ2 4.49Å
32	S	92.7	Very high	86.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-37.2	175.1	62.6	0	0	0	0	111.8	G28 V29 Y30 S35 Q62	G28-S32 VanDerWaalsContact O-CB 3.31Å; G28-S32 WeakPolarHBondContact O-CB 3.28Å; G28-S32 PolarHBondContact O-N 3.18Å; G28-S32 PolarHBondContact O-OG 3.2Å; V29-S32 WeakPolarHBondContact CA-OG 3.35Å; V29-S32 PolarHBondContact O-OG 3.46Å; Y30-S32 PolarHBondContact O-N 3.45Å; S32-S35 PolarHBondContact O-N 3.02Å; S32-S35 PolarHBondContact O-OG 2.72Å; S32-Q62 PolarHBondContact O-NE2 3.26Å
33	T	92.6	Very high	88.3	Confident	7 Å²	7	51.4 Å²	51.4	4%	0.043	26%	0.262	C	S	.	.	H	α-helix	trans	-62.4	-52.9	173.5	-58	0	0	0	0	111.4	V29 Y30 L31 S35 G36 L41 I61 Q62 Y65	V29-T33 WeakPolarHBondContact O-CB 3.3Å; V29-T33 PolarHBondContact O-N 2.9Å; V29-T33 PolarHBondContact O-OG1 2.95Å; Y30-T33 WeakPolarHBondContact O-CB 3.4Å; Y30-T33 PolarHBondContact O-N 2.98Å; Y30-T33 VanDerWaalsContact O-N 3.13Å; L31-T33 VanDerWaalsContact C-N 3.32Å; L31-T33 PolarHBondContact O-N 3.13Å; T33-S35 VanDerWaalsContact C-N 3.26Å; T33-S35 PolarHBondContact O-N 3.37Å; T33-G36 PolarHBondContact O-N 3.45Å; T33-L41 WeakPolarHBondContact OG1-CD1 3.38Å; T33-I61 HydrophobicContact CG2-CB 4.05Å; T33-I61 HydrophobicContact CG2-CG2 3.55Å; T33-Q62 HydrophobicContact CG2-CB 4.32Å; T33-Q62 WeakPolarHBondContact O-CG 3.46Å; T33-Y65 HydrophobicContact CG2-CD2 4.25Å; T33-Y65 HydrophobicContact CG2-CE2 4.26Å
34	V	94.5	Very high	89.1	Confident	7 Å²	7	52.7 Å²	52.7	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-63.9	-31.4	179.5	178.9	0	0	0	0	112.2	Y30 L31 G36 Y65 K73 V77	Y30-V34 HydrophobicContact CD2-CG2 4.05Å; Y30-V34 HydrophobicContact CE1-CG2 4.32Å; Y30-V34 HydrophobicContact CE2-CG2 3.56Å; Y30-V34 WeakPolarHBondContact O-CG2 3.25Å; Y30-V34 PolarHBondContact O-N 3.49Å; L31-V34 PolarHBondContact O-N 3.34Å; V34-G36 PolarHBondContact O-N 3.49Å; V34-Y65 HydrophobicContact CG1-CD1 4.24Å; V34-Y65 HydrophobicContact CG1-CE1 4.33Å; V34-Y65 HydrophobicContact CG2-CD1 4.48Å; V34-Y65 HydrophobicContact CG2-CD2 4.38Å; V34-Y65 HydrophobicContact CG2-CE1 4.03Å; V34-Y65 HydrophobicContact CG2-CE2 3.92Å; V34-K73 HydrophobicContact CG1-CB 3.82Å; V34-K73 HydrophobicContact CG1-CG 4Å; V34-K73 VanDerWaalsContact O-CD 3.3Å; V34-K73 WeakPolarHBondContact O-CD 3.49Å; V34-K73 WeakPolarHBondContact O-CE 3.42Å; V34-V77 HydrophobicContact CG1-CG2 3.99Å
35	S	92.8	Very high	89.8	Confident	35 Å²	35	50 Å²	50	25%	0.245	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-24.3	-175.6	76.1	0	0	0	0	114.7	L31 S32 T33 K37	L31-S35 WeakPolarHBondContact O-CB 3.49Å; L31-S35 PolarHBondContact O-N 2.89Å; S32-S35 PolarHBondContact O-N 3.02Å; S32-S35 PolarHBondContact O-OG 2.72Å; T33-S35 VanDerWaalsContact C-N 3.26Å; T33-S35 PolarHBondContact O-N 3.37Å; S35-K37 PolarHBondContact O-N 3.46Å; S35-K37 WeakPolarHBondContact OG-CB 3.48Å; S35-K37 PolarHBondContact OG-N 2.89Å; S35-K37 VanDerWaalsContact OG-N 3.07Å
36	G	92	Very high	90.4	Very high	14 Å²	14	50.5 Å²	50.5	14%	0.144	25%	0.248	C	C	.	.			trans	81.3	-11.7	-170	0	0	0	0	0	115.5	T33 V34 R38 Q62 E66	T33-G36 PolarHBondContact O-N 3.45Å; V34-G36 PolarHBondContact O-N 3.49Å; G36-R38 PolarHBondContact O-N 3.31Å; G36-R38 VanDerWaalsContact O-N 3.15Å; G36-Q62 VanDerWaalsContact C-CD 3.47Å; G36-Q62 VanDerWaalsContact C-NE2 3.27Å; G36-E66 WeakPolarHBondContact CA-OE1 3.48Å
37	K	94.8	Very high	90.5	Very high	137 Å²	137	54.3 Å²	54.3	60%	0.596	26%	0.262	S	S	*	.			trans	-79.7	103.9	-173.1	-63.7	-173.1	179.5	-176.5	0	111.2	S35 L39 W40 L41 Q62	S35-K37 PolarHBondContact O-N 3.46Å; S35-K37 WeakPolarHBondContact OG-CB 3.48Å; S35-K37 PolarHBondContact OG-N 2.89Å; S35-K37 VanDerWaalsContact OG-N 3.07Å; K37-L39 PolarHBondContact O-N 3.33Å; K37-W40 HydrophobicContact CB-CB 3.91Å; K37-W40 HydrophobicContact CD-CE3 4.42Å; K37-W40 PolarHBondContact O-N 3.39Å; K37-L41 PolarHBondContact O-N 3.2Å; K37-Q62 PolarHBondContact O-NE2 3.47Å
38	R	94.7	Very high	90.5	Very high	94 Å²	94	55.4 Å²	55.4	36%	0.355	27%	0.266	S	S	.	.	H	α-helix	trans	-53.6	-45.6	178.2	-71.1	-72.5	-171.7	-146.4	19.2	114	G36 W40 L41 H42 K59 Q62 D63	G36-R38 PolarHBondContact O-N 3.31Å; G36-R38 VanDerWaalsContact O-N 3.15Å; R38-W40 VanDerWaalsContact C-N 3.33Å; R38-W40 PolarHBondContact O-N 3.18Å; R38-L41 PolarHBondContact O-N 2.97Å; R38-H42 WeakPolarHBondContact O-CB 3.47Å; R38-H42 PolarHBondContact O-N 3.22Å; R38-K59 VanDerWaalsContact NH1-C 3.32Å; R38-K59 PolarHBondContact NH1-O 3.48Å; R38-K59 PolarHBondContact NH2-O 3.47Å; R38-Q62 VanDerWaalsContact CD-OE1 3.26Å; R38-D63 IonicContact CZ-OD1 3.33Å; R38-D63 IonicContact CZ-OD2 3.84Å; R38-D63 IonicContact NH1-OD1 3.79Å; R38-D63 IonicContact NH2-OD1 2.61Å; R38-D63 PolarHBondContact NH2-OD1 3.29Å; R38-D63 IonicContact NH2-OD2 2.78Å; R38-D63 PolarHBondContact NH2-OD2 3.28Å
39	L	96.1	Very high	90.3	Very high	150 Å²	150	61.7 Å²	61.7	79%	0.785	30%	0.297	S	S	*	.	H	α-helix	trans	-63.9	-41	-179.4	-176.2	65.5	0	0	0	111.4	K37 H42 H43	K37-L39 PolarHBondContact O-N 3.33Å; L39-H42 PolarHBondContact O-N 3.28Å; L39-H43 WeakPolarHBondContact O-CB 3.49Å; L39-H43 PolarHBondContact O-N 3.21Å
40	W	94.9	Very high	90	Very high	83 Å²	83	62.6 Å²	62.6	31%	0.314	30%	0.303	S	S	.	.	H	α-helix	trans	-68.2	-45	178.4	-171.2	11	0	0	0	111.1	L31 K37 R38 H42 H43 E44	L31-W40 HydrophobicContact CB-CH2 4.15Å; L31-W40 HydrophobicContact CB-CZ2 4.49Å; K37-W40 HydrophobicContact CB-CB 3.91Å; K37-W40 HydrophobicContact CD-CE3 4.42Å; K37-W40 PolarHBondContact O-N 3.39Å; R38-W40 VanDerWaalsContact C-N 3.33Å; R38-W40 PolarHBondContact O-N 3.18Å; W40-H42 VanDerWaalsContact C-N 3.3Å; W40-H42 PolarHBondContact O-N 2.98Å; W40-H43 WeakPolarHBondContact O-CB 3.38Å; W40-H43 PolarHBondContact O-N 3.33Å; W40-H43 VanDerWaalsContact O-N 3.14Å; W40-E44 PolarHBondContact NE1-OE1 2.95Å; W40-E44 WeakPolarHBondContact O-CG 3.47Å; W40-E44 PolarHBondContact O-N 3Å
41	L	92.5	Very high	89.9	Confident	2 Å²	2	64 Å²	64	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-58	-43.6	175.5	178.3	63	0	0	0	111.7	T33 K37 R38 H43 E44 L45 F58 K59 Q62	T33-L41 WeakPolarHBondContact OG1-CD1 3.38Å; K37-L41 PolarHBondContact O-N 3.2Å; R38-L41 PolarHBondContact O-N 2.97Å; L41-H43 VanDerWaalsContact C-N 3.35Å; L41-H43 PolarHBondContact O-N 3.1Å; L41-E44 PolarHBondContact O-N 3.3Å; L41-L45 HydrophobicContact CD1-CD1 3.89Å; L41-L45 HydrophobicContact CD1-CG 4.02Å; L41-L45 HydrophobicContact CG-CD1 3.91Å; L41-L45 HydrophobicContact CG-CG 4.4Å; L41-L45 WeakPolarHBondContact O-CB 3.48Å; L41-L45 VanDerWaalsContact O-CG 3.24Å; L41-L45 WeakPolarHBondContact O-CG 3.34Å; L41-L45 PolarHBondContact O-N 3.5Å; L41-F58 HydrophobicContact CD1-CB 4.18Å; L41-F58 HydrophobicContact CD1-CD1 4.45Å; L41-F58 HydrophobicContact CD2-CB 4.1Å; L41-K59 HydrophobicContact CD2-CG 4.33Å; L41-Q62 HydrophobicContact CD2-CB 4.14Å
42	H	92.4	Very high	89.8	Confident	112 Å²	112	68 Å²	68	52%	0.519	34%	0.337	S	S	.	.	H	α-helix	trans	-62.5	-42.3	176.7	-173.8	-86.2	0	0	0	112.3	R38 L39 W40 S46	R38-H42 WeakPolarHBondContact O-CB 3.47Å; R38-H42 PolarHBondContact O-N 3.22Å; L39-H42 PolarHBondContact O-N 3.28Å; W40-H42 VanDerWaalsContact C-N 3.3Å; W40-H42 PolarHBondContact O-N 2.98Å; H42-S46 WeakPolarHBondContact O-CB 3.22Å; H42-S46 PolarHBondContact O-N 3.01Å
43	H	91.5	Very high	89.6	Confident	88 Å²	88	69.9 Å²	69.9	41%	0.407	36%	0.357	S	S	.	.	H	α-helix	trans	-59.2	-51.1	175.8	176.7	-90.9	0	0	0	111.6	L39 W40 L41 L45 S46 Y47	L39-H43 WeakPolarHBondContact O-CB 3.49Å; L39-H43 PolarHBondContact O-N 3.21Å; W40-H43 WeakPolarHBondContact O-CB 3.38Å; W40-H43 PolarHBondContact O-N 3.33Å; W40-H43 VanDerWaalsContact O-N 3.14Å; L41-H43 VanDerWaalsContact C-N 3.35Å; L41-H43 PolarHBondContact O-N 3.1Å; H43-L45 PolarHBondContact O-N 3.23Å; H43-S46 WeakPolarHBondContact O-CB 3.37Å; H43-S46 PolarHBondContact O-N 3.14Å; H43-S46 PolarHBondContact O-OG 3.35Å; H43-Y47 AromaticContact CE1-CE2 3.55Å; H43-Y47 AromaticContact CE1-CZ 3.69Å; H43-Y47 PolarHBondContact CE1-OH 3.12Å; H43-Y47 AromaticContact ND1-CE2 3.82Å; H43-Y47 PolarHBondContact NE2-OH 3.45Å
44	E	85.8	Confident	89.2	Confident	32 Å²	32	70.5 Å²	70.5	15%	0.15	36%	0.359	C	S	.	.	H	α-helix	trans	-64.1	-40.7	-179.2	-64	-60.5	148.5	0	0	112.4	V29 W40 L41 S46 Y47 F48	V29-E44 HydrophobicContact CG2-CB 4.14Å; W40-E44 PolarHBondContact NE1-OE1 2.95Å; W40-E44 WeakPolarHBondContact O-CG 3.47Å; W40-E44 PolarHBondContact O-N 3Å; L41-E44 PolarHBondContact O-N 3.3Å; E44-S46 VanDerWaalsContact C-N 3.31Å; E44-S46 PolarHBondContact O-N 3.12Å; E44-Y47 WeakPolarHBondContact O-CD2 3.4Å; E44-F48 WeakPolarHBondContact O-CD2 3.24Å; E44-F48 WeakPolarHBondContact O-CE2 3.45Å
45	L	86.4	Confident	89	Confident	7 Å²	7	71.1 Å²	71.1	4%	0.037	36%	0.363	C	S	.	.	H	α-helix	trans	-68	-31.8	178.1	-67.6	175.9	0	0	0	112.2	V29 L41 H43 Y47 F48 P50 F58	V29-L45 HydrophobicContact CG1-CD2 4.01Å; V29-L45 HydrophobicContact CG2-CD2 4.35Å; L41-L45 HydrophobicContact CD1-CD1 3.89Å; L41-L45 HydrophobicContact CD1-CG 4.02Å; L41-L45 HydrophobicContact CG-CD1 3.91Å; L41-L45 HydrophobicContact CG-CG 4.4Å; L41-L45 WeakPolarHBondContact O-CB 3.48Å; L41-L45 VanDerWaalsContact O-CG 3.24Å; L41-L45 WeakPolarHBondContact O-CG 3.34Å; L41-L45 PolarHBondContact O-N 3.5Å; H43-L45 PolarHBondContact O-N 3.23Å; L45-Y47 PolarHBondContact O-N 3.02Å; L45-Y47 VanDerWaalsContact O-N 3.12Å; L45-F48 PolarHBondContact O-N 3.49Å; L45-P50 HydrophobicContact CB-CB 4.49Å; L45-P50 HydrophobicContact CB-CG 4.04Å; L45-P50 VanDerWaalsContact O-CD 3.27Å; L45-P50 WeakPolarHBondContact O-CD 3.37Å; L45-F58 HydrophobicContact CD1-CB 3.87Å; L45-F58 HydrophobicContact CD1-CD2 4.11Å; L45-F58 HydrophobicContact CD1-CG 4.14Å; L45-F58 HydrophobicContact CD2-CD2 3.66Å; L45-F58 HydrophobicContact CD2-CE2 3.81Å; L45-F58 HydrophobicContact CD2-CG 4.07Å; L45-F58 HydrophobicContact CD2-CZ 4.34Å
46	S	87.8	Confident	89	Confident	55 Å²	55	76 Å²	76	39%	0.385	38%	0.379	S	S	.	.	H	α-helix	trans	-58.2	-28.7	-176.6	75	0	0	0	0	113.9	H42 H43 E44 F48 N49	H42-S46 WeakPolarHBondContact O-CB 3.22Å; H42-S46 PolarHBondContact O-N 3.01Å; H43-S46 WeakPolarHBondContact O-CB 3.37Å; H43-S46 PolarHBondContact O-N 3.14Å; H43-S46 PolarHBondContact O-OG 3.35Å; E44-S46 VanDerWaalsContact C-N 3.31Å; E44-S46 PolarHBondContact O-N 3.12Å; S46-F48 PolarHBondContact O-N 3.36Å; S46-F48 VanDerWaalsContact O-N 3.1Å; S46-N49 PolarHBondContact O-N 2.95Å
47	Y	82.7	Confident	89	Confident	150 Å²	150	78.6 Å²	78.6	59%	0.588	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.5	176.2	-67.2	-65.3	0	0	0	113.9	H43 E44 L45	H43-Y47 AromaticContact CE1-CE2 3.55Å; H43-Y47 AromaticContact CE1-CZ 3.69Å; H43-Y47 PolarHBondContact CE1-OH 3.12Å; H43-Y47 AromaticContact ND1-CE2 3.82Å; H43-Y47 PolarHBondContact NE2-OH 3.45Å; E44-Y47 WeakPolarHBondContact O-CD2 3.4Å; L45-Y47 PolarHBondContact O-N 3.02Å; L45-Y47 VanDerWaalsContact O-N 3.12Å
48	F	81.4	Confident	88.8	Confident	68 Å²	68	73.8 Å²	73.8	30%	0.298	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	5.9	-174.7	-54.7	-87.7	0	0	0	113.9	L5 S25 V29 E44 L45 S46	L5-F48 WeakPolarHBondContact CD1-O 3.42Å; L5-F48 HydrophobicContact CD2-CB 3.7Å; L5-F48 HydrophobicContact CG-CB 4.43Å; S25-F48 VanDerWaalsContact CB-CZ 3.46Å; V29-F48 HydrophobicContact CG2-CD2 4.45Å; V29-F48 HydrophobicContact CG2-CE2 3.65Å; V29-F48 HydrophobicContact CG2-CZ 4.3Å; E44-F48 WeakPolarHBondContact O-CD2 3.24Å; E44-F48 WeakPolarHBondContact O-CE2 3.45Å; L45-F48 PolarHBondContact O-N 3.49Å; S46-F48 PolarHBondContact O-N 3.36Å; S46-F48 VanDerWaalsContact O-N 3.1Å
49	N	81.1	Confident	88.8	Confident	142 Å²	142	73.2 Å²	73.2	76%	0.759	38%	0.375	S	S	*	.			trans	48.6	59.6	-176.6	-59.5	-68.6	0	0	0	112.4	S46	S46-N49 PolarHBondContact O-N 2.95Å
50	P	81.9	Confident	88.7	Confident	34 Å²	34	72.2 Å²	72.2	22%	0.221	36%	0.364	C	S	.	.			trans	-70.8	147.5	-170.2	34	-36.3	0	0	0	110.1	L5 L45 E54	L5-P50 HydrophobicContact CD2-CB 4.46Å; L45-P50 HydrophobicContact CB-CB 4.49Å; L45-P50 HydrophobicContact CB-CG 4.04Å; L45-P50 VanDerWaalsContact O-CD 3.27Å; L45-P50 WeakPolarHBondContact O-CD 3.37Å; P50-E54 HydrophobicContact CB-CB 4.38Å
51	T	87.7	Confident	88.7	Confident	59 Å²	59	72 Å²	72	36%	0.362	37%	0.368	S	S	.	.			trans	-69.7	160	167.8	64.2	0	0	0	0	110.9	G53 E54 T55	T51-G53 PolarHBondContact O-N 2.97Å; T51-E54 WeakPolarHBondContact CB-OE2 3.45Å; T51-E54 WeakPolarHBondContact CG2-OE2 3.31Å; T51-E54 PolarHBondContact N-OE2 2.97Å; T51-E54 PolarHBondContact O-N 2.97Å; T51-E54 VanDerWaalsContact O-N 3.14Å; T51-E54 VanDerWaalsContact OG1-CD 3.23Å; T51-E54 WeakPolarHBondContact OG1-CG 3.38Å; T51-E54 PolarHBondContact OG1-N 3.33Å; T51-E54 PolarHBondContact OG1-OE2 3.41Å; T51-T55 PolarHBondContact O-N 3Å; T51-T55 PolarHBondContact O-OG1 2.89Å
52	D	89.4	Confident	88.8	Confident	151 Å²	151	72 Å²	72	81%	0.807	37%	0.368	S	S	*	.	H	α-helix	trans	-56.6	-35.6	173.8	-67.1	-29.6	0	0	0	112.2	K56	D52-K56 VanDerWaalsContact O-CB 3.28Å; D52-K56 WeakPolarHBondContact O-CB 3.47Å; D52-K56 PolarHBondContact O-N 2.98Å
53	G	88.7	Confident	89	Confident	41 Å²	41	69.3 Å²	69.3	42%	0.423	36%	0.358	S	S	.	.	H	α-helix	trans	-64.6	-44.8	177	0	0	0	0	0	112.6	T51 K56 S57	T51-G53 PolarHBondContact O-N 2.97Å; G53-K56 PolarHBondContact O-N 2.71Å; G53-S57 PolarHBondContact O-N 3.07Å; G53-S57 PolarHBondContact O-OG 3.08Å
54	E	84.9	Confident	89.2	Confident	19 Å²	19	68.8 Å²	68.8	9%	0.089	36%	0.363	C	S	.	.	H	α-helix	trans	-66.5	-45.1	178.1	-73.8	158.1	157.6	0	0	111.2	L5 P50 T51 K56 S57 F58	L5-E54 WeakPolarHBondContact CB-OE1 3.39Å; P50-E54 HydrophobicContact CB-CB 4.38Å; T51-E54 WeakPolarHBondContact CB-OE2 3.45Å; T51-E54 WeakPolarHBondContact CG2-OE2 3.31Å; T51-E54 PolarHBondContact N-OE2 2.97Å; T51-E54 PolarHBondContact O-N 2.97Å; T51-E54 VanDerWaalsContact O-N 3.14Å; T51-E54 VanDerWaalsContact OG1-CD 3.23Å; T51-E54 WeakPolarHBondContact OG1-CG 3.38Å; T51-E54 PolarHBondContact OG1-N 3.33Å; T51-E54 PolarHBondContact OG1-OE2 3.41Å; E54-K56 VanDerWaalsContact C-N 3.28Å; E54-K56 PolarHBondContact O-N 3.29Å; E54-S57 WeakPolarHBondContact O-CB 3.41Å; E54-S57 PolarHBondContact O-N 3.32Å; E54-S57 VanDerWaalsContact O-N 3.12Å; E54-F58 WeakPolarHBondContact O-CD2 3.44Å; E54-F58 PolarHBondContact O-N 3.41Å
55	T	88.9	Confident	89.7	Confident	21 Å²	21	69.4 Å²	69.4	13%	0.129	36%	0.364	C	S	.	.	H	α-helix	trans	-57.5	-44.3	174.9	-61.2	0	0	0	0	111	T51 S57 K59	T51-T55 PolarHBondContact O-N 3Å; T51-T55 PolarHBondContact O-OG1 2.89Å; T55-S57 VanDerWaalsContact C-N 3.35Å; T55-S57 PolarHBondContact O-N 3.2Å; T55-K59 HydrophobicContact CG2-CD 4.2Å; T55-K59 WeakPolarHBondContact O-CB 3.34Å; T55-K59 VanDerWaalsContact O-CG 3.25Å; T55-K59 WeakPolarHBondContact O-CG 3.03Å; T55-K59 PolarHBondContact O-N 3.42Å
56	K	92.6	Very high	90.1	Very high	136 Å²	136	73.8 Å²	73.8	59%	0.591	39%	0.385	S	S	*	.	H	α-helix	trans	-64.2	-38.9	177.2	-172.8	175.3	-176.6	175.3	0	112.1	D52 G53 E54 K59 K60	D52-K56 VanDerWaalsContact O-CB 3.28Å; D52-K56 WeakPolarHBondContact O-CB 3.47Å; D52-K56 PolarHBondContact O-N 2.98Å; G53-K56 PolarHBondContact O-N 2.71Å; E54-K56 VanDerWaalsContact C-N 3.28Å; E54-K56 PolarHBondContact O-N 3.29Å; K56-K59 PolarHBondContact O-N 3Å; K56-K60 WeakPolarHBondContact O-CG 3.2Å; K56-K60 PolarHBondContact O-N 2.81Å; K56-K60 VanDerWaalsContact O-N 3.08Å
57	S	92	Very high	90.5	Very high	69 Å²	69	78.9 Å²	78.9	48%	0.483	40%	0.402	S	S	.	.	H	α-helix	trans	-64.8	-49.7	177.9	-64.7	0	0	0	0	111.9	G53 E54 T55 K59 K60 I61	G53-S57 PolarHBondContact O-N 3.07Å; G53-S57 PolarHBondContact O-OG 3.08Å; E54-S57 WeakPolarHBondContact O-CB 3.41Å; E54-S57 PolarHBondContact O-N 3.32Å; E54-S57 VanDerWaalsContact O-N 3.12Å; T55-S57 VanDerWaalsContact C-N 3.35Å; T55-S57 PolarHBondContact O-N 3.2Å; S57-K59 VanDerWaalsContact C-N 3.25Å; S57-K59 PolarHBondContact O-N 2.87Å; S57-K60 WeakPolarHBondContact O-CB 3.3Å; S57-K60 PolarHBondContact O-N 3.15Å; S57-K60 VanDerWaalsContact O-N 3.11Å; S57-I61 WeakPolarHBondContact O-CG1 3.47Å; S57-I61 PolarHBondContact O-N 2.95Å; S57-I61 VanDerWaalsContact O-N 3.08Å
58	F	91.9	Very high	91.1	Very high	36 Å²	36	74.6 Å²	74.6	16%	0.158	40%	0.398	C	S	.	.	H	α-helix	trans	-61.3	-36.5	175.6	-85.1	-74.9	0	0	0	112.3	L6 V29 L41 L45 E54 K60 I61 Q62	L6-F58 HydrophobicContact CD1-CE1 4.5Å; L6-F58 HydrophobicContact CD1-CE2 3.73Å; L6-F58 HydrophobicContact CD1-CZ 3.54Å; V29-F58 HydrophobicContact CG1-CD1 4.06Å; V29-F58 HydrophobicContact CG1-CE1 3.43Å; V29-F58 VanDerWaalsContact CG1-CE1 3.43Å; V29-F58 HydrophobicContact CG1-CZ 3.72Å; L41-F58 HydrophobicContact CD1-CB 4.18Å; L41-F58 HydrophobicContact CD1-CD1 4.45Å; L41-F58 HydrophobicContact CD2-CB 4.1Å; L45-F58 HydrophobicContact CD1-CB 3.87Å; L45-F58 HydrophobicContact CD1-CD2 4.11Å; L45-F58 HydrophobicContact CD1-CG 4.14Å; L45-F58 HydrophobicContact CD2-CD2 3.66Å; L45-F58 HydrophobicContact CD2-CE2 3.81Å; L45-F58 HydrophobicContact CD2-CG 4.07Å; L45-F58 HydrophobicContact CD2-CZ 4.34Å; E54-F58 WeakPolarHBondContact O-CD2 3.44Å; E54-F58 PolarHBondContact O-N 3.41Å; F58-K60 VanDerWaalsContact C-N 3.33Å; F58-K60 PolarHBondContact O-N 3.02Å; F58-I61 PolarHBondContact O-N 3.13Å; F58-Q62 WeakPolarHBondContact O-CB 3.29Å; F58-Q62 PolarHBondContact O-N 3.34Å
59	K	93.8	Very high	91.7	Very high	83 Å²	83	72.5 Å²	72.5	36%	0.361	40%	0.396	S	S	.	.	H	α-helix	trans	-60.3	-42.7	174.6	-78.6	175.9	-179.9	175.8	0	112.2	R38 L41 T55 K56 S57 Q62 D63	R38-K59 VanDerWaalsContact NH1-C 3.32Å; R38-K59 PolarHBondContact NH1-O 3.48Å; R38-K59 PolarHBondContact NH2-O 3.47Å; L41-K59 HydrophobicContact CD2-CG 4.33Å; T55-K59 HydrophobicContact CG2-CD 4.2Å; T55-K59 WeakPolarHBondContact O-CB 3.34Å; T55-K59 VanDerWaalsContact O-CG 3.25Å; T55-K59 WeakPolarHBondContact O-CG 3.03Å; T55-K59 PolarHBondContact O-N 3.42Å; K56-K59 PolarHBondContact O-N 3Å; S57-K59 VanDerWaalsContact C-N 3.25Å; S57-K59 PolarHBondContact O-N 2.87Å; K59-Q62 WeakPolarHBondContact O-CB 3.44Å; K59-Q62 PolarHBondContact O-N 2.93Å; K59-D63 VanDerWaalsContact O-CG 3.27Å; K59-D63 PolarHBondContact O-N 2.85Å
60	K	95.3	Very high	92.3	Very high	128 Å²	128	72.7 Å²	72.7	56%	0.557	40%	0.396	S	S	*	.	H	α-helix	trans	-65.3	-40.7	176.5	-73.9	-176.7	170.5	-164.6	0	112.9	K56 S57 F58 Q62 D63 C64	K56-K60 WeakPolarHBondContact O-CG 3.2Å; K56-K60 PolarHBondContact O-N 2.81Å; K56-K60 VanDerWaalsContact O-N 3.08Å; S57-K60 WeakPolarHBondContact O-CB 3.3Å; S57-K60 PolarHBondContact O-N 3.15Å; S57-K60 VanDerWaalsContact O-N 3.11Å; F58-K60 VanDerWaalsContact C-N 3.33Å; F58-K60 PolarHBondContact O-N 3.02Å; K60-Q62 VanDerWaalsContact C-N 3.29Å; K60-Q62 PolarHBondContact O-N 3.46Å; K60-D63 WeakPolarHBondContact O-CB 3.42Å; K60-D63 PolarHBondContact O-N 3.43Å; K60-C64 PolarHBondContact O-N 3.47Å; K60-C64 VanDerWaalsContact O-N 3.08Å; K60-C64 PolarHBondContact O-SG 3.41Å; K60-C64 VanDerWaalsContact O-SG 3.37Å
61	I	94.3	Very high	92.8	Very high	79 Å²	79	78.7 Å²	78.7	41%	0.405	42%	0.419	S	S	.	.	H	α-helix	trans	-61.7	-43.2	176	-62.4	168	0	0	0	110	T33 S57 F58 D63 C64 Y65	T33-I61 HydrophobicContact CG2-CB 4.05Å; T33-I61 HydrophobicContact CG2-CG2 3.55Å; S57-I61 WeakPolarHBondContact O-CG1 3.47Å; S57-I61 PolarHBondContact O-N 2.95Å; S57-I61 VanDerWaalsContact O-N 3.08Å; F58-I61 PolarHBondContact O-N 3.13Å; I61-D63 VanDerWaalsContact C-N 3.32Å; I61-D63 PolarHBondContact O-N 3.09Å; I61-C64 WeakPolarHBondContact O-CB 3.35Å; I61-C64 PolarHBondContact O-N 3.05Å; I61-Y65 HydrophobicContact CG2-CD2 4.18Å; I61-Y65 HydrophobicContact CG2-CE2 3.91Å; I61-Y65 WeakPolarHBondContact O-CD2 3.49Å; I61-Y65 PolarHBondContact O-N 2.56Å
62	Q	94.9	Very high	93	Very high	1 Å²	1	77.5 Å²	77.5	1%	0.005	42%	0.415	C	S	.	.	H	α-helix	trans	-62.6	-37.3	175.5	179.2	174	72.7	0	0	112.4	S32 T33 G36 K37 R38 L41 F58 K59 K60 C64 Y65 E66	S32-Q62 PolarHBondContact O-NE2 3.26Å; T33-Q62 HydrophobicContact CG2-CB 4.32Å; T33-Q62 WeakPolarHBondContact O-CG 3.46Å; G36-Q62 VanDerWaalsContact C-CD 3.47Å; G36-Q62 VanDerWaalsContact C-NE2 3.27Å; K37-Q62 PolarHBondContact O-NE2 3.47Å; R38-Q62 VanDerWaalsContact CD-OE1 3.26Å; L41-Q62 HydrophobicContact CD2-CB 4.14Å; F58-Q62 WeakPolarHBondContact O-CB 3.29Å; F58-Q62 PolarHBondContact O-N 3.34Å; K59-Q62 WeakPolarHBondContact O-CB 3.44Å; K59-Q62 PolarHBondContact O-N 2.93Å; K60-Q62 VanDerWaalsContact C-N 3.29Å; K60-Q62 PolarHBondContact O-N 3.46Å; Q62-C64 VanDerWaalsContact C-N 3.33Å; Q62-C64 PolarHBondContact O-N 3.31Å; Q62-Y65 PolarHBondContact O-N 3.27Å; Q62-E66 PolarHBondContact O-N 2.93Å
63	D	96.3	Very high	93.2	Very high	57 Å²	57	71.5 Å²	71.5	31%	0.305	38%	0.381	S	S	.	.	H	α-helix	trans	-61.7	-40.7	173.7	-65.6	-39.6	0	0	0	111.4	R38 K59 K60 I61 Y65 E66 E67	R38-D63 IonicContact CZ-OD1 3.33Å; R38-D63 IonicContact CZ-OD2 3.84Å; R38-D63 IonicContact NH1-OD1 3.79Å; R38-D63 IonicContact NH2-OD1 2.61Å; R38-D63 PolarHBondContact NH2-OD1 3.29Å; R38-D63 IonicContact NH2-OD2 2.78Å; R38-D63 PolarHBondContact NH2-OD2 3.28Å; K59-D63 VanDerWaalsContact O-CG 3.27Å; K59-D63 PolarHBondContact O-N 2.85Å; K60-D63 WeakPolarHBondContact O-CB 3.42Å; K60-D63 PolarHBondContact O-N 3.43Å; I61-D63 VanDerWaalsContact C-N 3.32Å; I61-D63 PolarHBondContact O-N 3.09Å; D63-Y65 VanDerWaalsContact C-N 3.29Å; D63-Y65 PolarHBondContact O-N 3.42Å; D63-E66 WeakPolarHBondContact O-CB 3.45Å; D63-E66 PolarHBondContact O-N 3.15Å; D63-E66 VanDerWaalsContact O-N 3.13Å; D63-E67 WeakPolarHBondContact O-CG 3.4Å; D63-E67 PolarHBondContact O-N 3.2Å
64	C	96.1	Very high	93.4	Very high	76 Å²	76	72.6 Å²	72.6	51%	0.514	38%	0.383	S	S	.	.	H	α-helix	trans	-60.4	-37.4	174.4	-61.7	0	0	0	0	112.7	K60 I61 Q62 A68	K60-C64 PolarHBondContact O-N 3.47Å; K60-C64 VanDerWaalsContact O-N 3.08Å; K60-C64 PolarHBondContact O-SG 3.41Å; K60-C64 VanDerWaalsContact O-SG 3.37Å; I61-C64 WeakPolarHBondContact O-CB 3.35Å; I61-C64 PolarHBondContact O-N 3.05Å; Q62-C64 VanDerWaalsContact C-N 3.33Å; Q62-C64 PolarHBondContact O-N 3.31Å; C64-A68 VanDerWaalsContact O-CB 3.25Å; C64-A68 WeakPolarHBondContact O-CB 3.43Å; C64-A68 PolarHBondContact O-N 3.25Å
65	Y	94.9	Very high	93.9	Very high	45 Å²	45	76.9 Å²	76.9	18%	0.176	40%	0.403	C	S	.	.	H	α-helix	trans	-69.5	-37.4	174.5	-80.4	-69.9	0	0	0	112.5	T33 V34 I61 Q62 D63 G69 K73 D76	T33-Y65 HydrophobicContact CG2-CD2 4.25Å; T33-Y65 HydrophobicContact CG2-CE2 4.26Å; V34-Y65 HydrophobicContact CG1-CD1 4.24Å; V34-Y65 HydrophobicContact CG1-CE1 4.33Å; V34-Y65 HydrophobicContact CG2-CD1 4.48Å; V34-Y65 HydrophobicContact CG2-CD2 4.38Å; V34-Y65 HydrophobicContact CG2-CE1 4.03Å; V34-Y65 HydrophobicContact CG2-CE2 3.92Å; I61-Y65 HydrophobicContact CG2-CD2 4.18Å; I61-Y65 HydrophobicContact CG2-CE2 3.91Å; I61-Y65 WeakPolarHBondContact O-CD2 3.49Å; I61-Y65 PolarHBondContact O-N 2.56Å; Q62-Y65 PolarHBondContact O-N 3.27Å; D63-Y65 VanDerWaalsContact C-N 3.29Å; D63-Y65 PolarHBondContact O-N 3.42Å; Y65-G69 PolarHBondContact O-N 3.03Å; Y65-K73 VanDerWaalsContact C-CE 3.49Å; Y65-K73 HydrophobicContact CD1-CG 3.98Å; Y65-K73 WeakPolarHBondContact O-CE 3.5Å; Y65-D76 HydrophobicContact CE1-CB 3.95Å; Y65-D76 PolarHBondContact OH-OD1 3.33Å; Y65-D76 PolarHBondContact OH-OD2 2.97Å
66	E	95.7	Very high	94	Very high	99 Å²	99	78 Å²	78	46%	0.463	41%	0.408	S	S	.	.	H	α-helix	trans	-61.6	-47.4	172.9	-74.6	-62.2	107.1	0	0	111.3	G36 Q62 D63 A68 G69 K73	G36-E66 WeakPolarHBondContact CA-OE1 3.48Å; Q62-E66 PolarHBondContact O-N 2.93Å; D63-E66 WeakPolarHBondContact O-CB 3.45Å; D63-E66 PolarHBondContact O-N 3.15Å; D63-E66 VanDerWaalsContact O-N 3.13Å; E66-A68 PolarHBondContact O-N 2.86Å; E66-G69 PolarHBondContact O-N 2.65Å; E66-K73 IonicContact OE1-NZ 2.57Å; E66-K73 PolarHBondContact OE1-NZ 3.47Å
67	E	96.6	Very high	94	Very high	162 Å²	162	74.2 Å²	74.2	76%	0.757	40%	0.396	S	S	*	.	H	α-helix	trans	-62.8	-38.9	178.1	-71.2	171.9	-169.9	0	0	112.5	D63 G69	D63-E67 WeakPolarHBondContact O-CG 3.4Å; D63-E67 PolarHBondContact O-N 3.2Å; E67-G69 VanDerWaalsContact C-N 3.31Å; E67-G69 PolarHBondContact O-N 2.97Å
68	A	94.6	Very high	94	Very high	60 Å²	60	76.9 Å²	76.9	50%	0.496	40%	0.401	S	S	.	.	H	α-helix	trans	-73.9	-20.7	179.7	0	0	0	0	0	113.8	C64 E66 A72	C64-A68 VanDerWaalsContact O-CB 3.25Å; C64-A68 WeakPolarHBondContact O-CB 3.43Å; C64-A68 PolarHBondContact O-N 3.25Å; E66-A68 PolarHBondContact O-N 2.86Å; A68-A72 HydrophobicContact CB-CB 3.6Å
69	G	94.7	Very high	93.9	Very high	25 Å²	25	81.6 Å²	81.6	26%	0.258	42%	0.422	S	S	.	.	H	α-helix	trans	78.4	178.4	174.5	0	0	0	0	0	115.8	Y65 E66 E67 K71 A72 K73	Y65-G69 PolarHBondContact O-N 3.03Å; E66-G69 PolarHBondContact O-N 2.65Å; E67-G69 VanDerWaalsContact C-N 3.31Å; E67-G69 PolarHBondContact O-N 2.97Å; G69-K71 VanDerWaalsContact C-N 3.34Å; G69-K71 PolarHBondContact O-N 2.8Å; G69-A72 PolarHBondContact O-N 2.81Å; G69-K73 WeakPolarHBondContact O-CG 3.47Å; G69-K73 PolarHBondContact O-N 3.39Å
70	L	93.4	Very high	93.6	Very high	145 Å²	145	79 Å²	79	76%	0.759	41%	0.411	S	S	*	.	H	α-helix	trans	-61	-36.3	-168.7	-70.3	173.2	0	0	0	114.2	K73 S74	L70-K73 PolarHBondContact O-N 3.08Å; L70-S74 PolarHBondContact O-N 3.02Å
71	K	92.7	Very high	93.1	Very high	161 Å²	161	74.9 Å²	74.9	70%	0.7	40%	0.401	S	S	*	.	H	α-helix	trans	-63.2	-48.6	179.9	-176.3	178.8	177.2	-177.7	0	110.9	G69 K73 S74 Q75	G69-K71 VanDerWaalsContact C-N 3.34Å; G69-K71 PolarHBondContact O-N 2.8Å; K71-K73 PolarHBondContact O-N 3.37Å; K71-S74 PolarHBondContact O-N 2.86Å; K71-Q75 WeakPolarHBondContact O-CG 3.26Å; K71-Q75 PolarHBondContact O-N 2.94Å
72	A	91.8	Very high	92.8	Very high	33 Å²	33	75.1 Å²	75.1	27%	0.273	41%	0.41	S	S	.	.	H	α-helix	trans	-62	-44.3	179.4	0	0	0	0	0	111.4	A68 G69 S74 Q75 D76	A68-A72 HydrophobicContact CB-CB 3.6Å; G69-A72 PolarHBondContact O-N 2.81Å; A72-S74 PolarHBondContact O-N 3.36Å; A72-Q75 PolarHBondContact O-N 3.06Å; A72-D76 WeakPolarHBondContact O-CB 3.25Å; A72-D76 PolarHBondContact O-N 3.45Å
73	K	93.4	Very high	92.3	Very high	25 Å²	25	79.4 Å²	79.4	11%	0.109	43%	0.431	C	S	.	.	H	α-helix	trans	-57.1	-47.3	174.6	-66.8	175.4	-178.3	-174.7	0	112.6	V34 Y65 E66 G69 L70 K71 Q75 D76 V77	V34-K73 HydrophobicContact CG1-CB 3.82Å; V34-K73 HydrophobicContact CG1-CG 4Å; V34-K73 VanDerWaalsContact O-CD 3.3Å; V34-K73 WeakPolarHBondContact O-CD 3.49Å; V34-K73 WeakPolarHBondContact O-CE 3.42Å; Y65-K73 VanDerWaalsContact C-CE 3.49Å; Y65-K73 HydrophobicContact CD1-CG 3.98Å; Y65-K73 WeakPolarHBondContact O-CE 3.5Å; E66-K73 IonicContact OE1-NZ 2.57Å; E66-K73 PolarHBondContact OE1-NZ 3.47Å; G69-K73 WeakPolarHBondContact O-CG 3.47Å; G69-K73 PolarHBondContact O-N 3.39Å; L70-K73 PolarHBondContact O-N 3.08Å; K71-K73 PolarHBondContact O-N 3.37Å; K73-Q75 VanDerWaalsContact C-N 3.32Å; K73-Q75 PolarHBondContact O-N 2.99Å; K73-D76 PolarHBondContact O-N 3.44Å; K73-V77 WeakPolarHBondContact O-CG2 3.23Å; K73-V77 PolarHBondContact O-N 2.93Å
74	S	92.3	Very high	91.5	Very high	65 Å²	65	77.5 Å²	77.5	46%	0.455	42%	0.42	S	S	.	.	H	α-helix	trans	-64.3	-38.6	179.7	-175.1	0	0	0	0	112.1	L70 K71 A72 Q78	L70-S74 PolarHBondContact O-N 3.02Å; K71-S74 PolarHBondContact O-N 2.86Å; A72-S74 PolarHBondContact O-N 3.36Å; S74-Q78 WeakPolarHBondContact O-CG 3.17Å; S74-Q78 PolarHBondContact O-N 3.03Å
75	Q	94.9	Very high	90.7	Very high	108 Å²	108	77.6 Å²	77.6	51%	0.505	41%	0.411	S	S	.	.	H	α-helix	trans	-67.5	-40.2	177.5	-71.9	178.2	-58.3	0	0	111.5	K71 A72 K73 Q78 F79	K71-Q75 WeakPolarHBondContact O-CG 3.26Å; K71-Q75 PolarHBondContact O-N 2.94Å; A72-Q75 PolarHBondContact O-N 3.06Å; K73-Q75 VanDerWaalsContact C-N 3.32Å; K73-Q75 PolarHBondContact O-N 2.99Å; Q75-Q78 PolarHBondContact O-N 3.27Å; Q75-F79 WeakPolarHBondContact O-CB 3.5Å; Q75-F79 PolarHBondContact O-N 3.21Å
76	D	92.8	Very high	90.1	Very high	45 Å²	45	77 Å²	77	24%	0.241	41%	0.414	C	S	.	.	H	α-helix	trans	-63.2	-45.3	176.4	-168.8	104.9	0	0	0	111.6	Y30 Y65 A72 K73 Q78 F79 M80	Y30-D76 VanDerWaalsContact CE2-OD2 3.29Å; Y30-D76 WeakPolarHBondContact CE2-OD2 3.47Å; Y30-D76 PolarHBondContact OH-O 3.08Å; Y30-D76 PolarHBondContact OH-OD2 3.29Å; Y65-D76 HydrophobicContact CE1-CB 3.95Å; Y65-D76 PolarHBondContact OH-OD1 3.33Å; Y65-D76 PolarHBondContact OH-OD2 2.97Å; A72-D76 WeakPolarHBondContact O-CB 3.25Å; A72-D76 PolarHBondContact O-N 3.45Å; K73-D76 PolarHBondContact O-N 3.44Å; D76-Q78 VanDerWaalsContact C-N 3.34Å; D76-Q78 PolarHBondContact O-N 3.42Å; D76-F79 PolarHBondContact O-N 2.69Å; D76-M80 WeakPolarHBondContact O-CB 3.19Å; D76-M80 PolarHBondContact O-N 3.32Å
77	V	91.8	Very high	89.3	Confident	57 Å²	57	76.7 Å²	76.7	35%	0.345	42%	0.423	S	S	.	.	H	α-helix	trans	-61.3	-41.6	175	172.6	0	0	0	0	111.7	Y30 V34 K73 A81	Y30-V77 WeakPolarHBondContact OH-CA 3.42Å; Y30-V77 PolarHBondContact OH-N 3.07Å; V34-V77 HydrophobicContact CG1-CG2 3.99Å; K73-V77 WeakPolarHBondContact O-CG2 3.23Å; K73-V77 PolarHBondContact O-N 2.93Å; V77-A81 WeakPolarHBondContact O-CB 3.4Å; V77-A81 PolarHBondContact O-N 3.28Å
78	Q	91.1	Very high	88.5	Confident	124 Å²	124	75.6 Å²	75.6	58%	0.579	42%	0.417	S	S	*	.	H	α-helix	trans	-62.9	-46.1	174.9	-80.3	179.3	-3.6	0	0	111.5	S74 Q75 D76 M80 A81 S82	S74-Q78 WeakPolarHBondContact O-CG 3.17Å; S74-Q78 PolarHBondContact O-N 3.03Å; Q75-Q78 PolarHBondContact O-N 3.27Å; D76-Q78 VanDerWaalsContact C-N 3.34Å; D76-Q78 PolarHBondContact O-N 3.42Å; Q78-M80 PolarHBondContact O-N 3.26Å; Q78-A81 PolarHBondContact O-N 3.47Å; Q78-S82 PolarHBondContact O-N 2.82Å; Q78-S82 PolarHBondContact O-OG 2.86Å; Q78-S82 VanDerWaalsContact O-OG 3.12Å
79	F	91.3	Very high	87.6	Confident	136 Å²	136	74.3 Å²	74.3	60%	0.596	41%	0.405	S	S	*	.	H	α-helix	trans	-60.1	-46.3	178.3	-179.7	-96.3	0	0	0	111.5	Q75 D76 A81 S82 M83	Q75-F79 WeakPolarHBondContact O-CB 3.5Å; Q75-F79 PolarHBondContact O-N 3.21Å; D76-F79 PolarHBondContact O-N 2.69Å; F79-A81 VanDerWaalsContact C-N 3.34Å; F79-A81 PolarHBondContact O-N 2.9Å; F79-S82 PolarHBondContact O-N 3.44Å; F79-M83 WeakPolarHBondContact O-CB 3.3Å; F79-M83 PolarHBondContact O-N 3.44Å
80	M	86.9	Confident	86.5	Confident	29 Å²	29	75.6 Å²	75.6	14%	0.143	41%	0.405	C	S	.	.	H	α-helix	trans	-59.7	-44.3	176.4	-170.5	58.2	44.4	0	0	111.7	F26 F27 Y30 D76 Q78 M83 F84	F26-M80 HydrophobicContact CE1-SD 4.46Å; F27-M80 HydrophobicContact CE1-CG 4.22Å; Y30-M80 HydrophobicContact CD1-CG 4.34Å; Y30-M80 HydrophobicContact CE1-CB 4.08Å; Y30-M80 HydrophobicContact CE1-CG 3.76Å; Y30-M80 HydrophobicContact CE2-CE 4.19Å; Y30-M80 HydrophobicContact CE2-CG 4.36Å; Y30-M80 WeakPolarHBondContact OH-CB 3.33Å; D76-M80 WeakPolarHBondContact O-CB 3.19Å; D76-M80 PolarHBondContact O-N 3.32Å; Q78-M80 PolarHBondContact O-N 3.26Å; M80-M83 HydrophobicContact CE-CE 4Å; M80-M83 PolarHBondContact O-N 3.45Å; M80-M83 HydrophobicContact SD-CE 3.52Å; M80-M83 VanDerWaalsContact SD-CE 3.52Å; M80-F84 VanDerWaalsContact O-CB 3.26Å; M80-F84 WeakPolarHBondContact O-CB 3.39Å; M80-F84 PolarHBondContact O-N 2.9Å
81	A	84.9	Confident	85.5	Confident	40 Å²	40	76.6 Å²	76.6	33%	0.331	40%	0.404	S	S	.	.	H	α-helix	trans	-63.3	-45.6	176.1	0	0	0	0	0	111.9	V77 Q78 F79 M83 F84 F85	V77-A81 WeakPolarHBondContact O-CB 3.4Å; V77-A81 PolarHBondContact O-N 3.28Å; Q78-A81 PolarHBondContact O-N 3.47Å; F79-A81 VanDerWaalsContact C-N 3.34Å; F79-A81 PolarHBondContact O-N 2.9Å; A81-M83 VanDerWaalsContact C-N 3.34Å; A81-M83 PolarHBondContact O-N 3.12Å; A81-F84 PolarHBondContact O-N 3.29Å; A81-F85 HydrophobicContact CB-CD2 4.45Å; A81-F85 WeakPolarHBondContact O-CD2 3.49Å; A81-F85 PolarHBondContact O-N 3.17Å
82	S	87.5	Confident	84.3	Confident	85 Å²	85	77.4 Å²	77.4	59%	0.594	40%	0.403	S	S	*	.	H	α-helix	trans	-61.5	-41.4	177.4	-64.2	0	0	0	0	112.4	Q78 F79 S86	Q78-S82 PolarHBondContact O-N 2.82Å; Q78-S82 PolarHBondContact O-OG 2.86Å; Q78-S82 VanDerWaalsContact O-OG 3.12Å; F79-S82 PolarHBondContact O-N 3.44Å; S82-S86 PolarHBondContact O-N 2.93Å; S82-S86 VanDerWaalsContact O-N 3.08Å
83	M	84.8	Confident	83.2	Confident	91 Å²	91	76.8 Å²	76.8	45%	0.448	39%	0.394	S	S	.	.	H	α-helix	trans	-63.6	-47	174.5	-175.2	-177.4	72.6	0	0	110.7	F79 M80 A81 F85 S86 C89	F79-M83 WeakPolarHBondContact O-CB 3.3Å; F79-M83 PolarHBondContact O-N 3.44Å; M80-M83 HydrophobicContact CE-CE 4Å; M80-M83 PolarHBondContact O-N 3.45Å; M80-M83 HydrophobicContact SD-CE 3.52Å; M80-M83 VanDerWaalsContact SD-CE 3.52Å; A81-M83 VanDerWaalsContact C-N 3.34Å; A81-M83 PolarHBondContact O-N 3.12Å; M83-F85 PolarHBondContact O-N 2.89Å; M83-S86 VanDerWaalsContact O-CB 3.24Å; M83-S86 WeakPolarHBondContact O-CB 2.97Å; M83-S86 PolarHBondContact O-N 3.34Å; M83-S86 PolarHBondContact O-OG 2.83Å; M83-C89 PolarHBondContact O-SG 3.08Å
84	F	79.1	Confident	81.7	Confident	16 Å²	16	78.5 Å²	78.5	7%	0.07	41%	0.41	C	S	.	.	H	α-helix	trans	-63.2	-40.2	-178.2	-172.5	-99.9	0	0	0	113.2	F27 M80 A81 S86 C89 Y93 I101	F27-F84 AromaticContact CE2-CD2 3.89Å; F27-F84 HydrophobicContact CE2-CD2 3.89Å; F27-F84 AromaticContact CE2-CE2 3.52Å; F27-F84 HydrophobicContact CE2-CE2 3.52Å; F27-F84 HydrophobicContact CE2-CG 4.49Å; F27-F84 AromaticContact CE2-CZ 3.88Å; F27-F84 HydrophobicContact CE2-CZ 3.88Å; F27-F84 HydrophobicContact CZ-CB 4.47Å; F27-F84 HydrophobicContact CZ-CD1 4.41Å; F27-F84 AromaticContact CZ-CD2 3.44Å; F27-F84 HydrophobicContact CZ-CD2 3.44Å; F27-F84 VanDerWaalsContact CZ-CD2 3.44Å; F27-F84 AromaticContact CZ-CE2 3.61Å; F27-F84 HydrophobicContact CZ-CE2 3.61Å; F27-F84 AromaticContact CZ-CG 3.85Å; F27-F84 HydrophobicContact CZ-CG 3.85Å; F27-F84 HydrophobicContact CZ-CZ 4.19Å; M80-F84 VanDerWaalsContact O-CB 3.26Å; M80-F84 WeakPolarHBondContact O-CB 3.39Å; M80-F84 PolarHBondContact O-N 2.9Å; A81-F84 PolarHBondContact O-N 3.29Å; F84-S86 VanDerWaalsContact C-N 3.33Å; F84-C89 WeakPolarHBondContact O-CB 3.16Å; F84-Y93 HydrophobicContact CD2-CE2 4.38Å; F84-Y93 AromaticContact CD2-CZ 3.95Å; F84-Y93 WeakPolarHBondContact CD2-OH 3.37Å; F84-Y93 HydrophobicContact CE1-CE2 4.33Å; F84-Y93 HydrophobicContact CE2-CE1 4.05Å; F84-Y93 HydrophobicContact CE2-CE2 4.04Å; F84-Y93 AromaticContact CE2-CZ 3.44Å; F84-Y93 VanDerWaalsContact CE2-CZ 3.44Å; F84-Y93 WeakPolarHBondContact CE2-OH 3.33Å; F84-Y93 HydrophobicContact CZ-CE1 4.23Å; F84-Y93 HydrophobicContact CZ-CE2 4Å; F84-Y93 AromaticContact CZ-CZ 3.75Å; F84-Y93 WeakPolarHBondContact O-CE2 3.47Å; F84-I101 HydrophobicContact CE1-CD1 4.04Å; F84-I101 HydrophobicContact CE1-CG2 3.82Å; F84-I101 HydrophobicContact CZ-CD1 3.6Å; F84-I101 HydrophobicContact CZ-CG2 4.3Å
85	F	79.9	Confident	80.3	Confident	78 Å²	78	82 Å²	82	34%	0.342	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	9.6	177.6	-65.6	-65	0	0	0	113.8	A81 M83 L102 I105	A81-F85 HydrophobicContact CB-CD2 4.45Å; A81-F85 WeakPolarHBondContact O-CD2 3.49Å; A81-F85 PolarHBondContact O-N 3.17Å; M83-F85 PolarHBondContact O-N 2.89Å; F85-L102 HydrophobicContact CE1-CD2 4.11Å; F85-L102 HydrophobicContact CZ-CD2 4.37Å; F85-I105 HydrophobicContact CE2-CD1 4.31Å; F85-I105 HydrophobicContact CZ-CD1 3.74Å
86	S	82.4	Confident	78.8	Confident	34 Å²	34	81 Å²	81	24%	0.238	42%	0.421	C	S	.	.	S	Bend	trans	-65	147.6	175.3	68.7	0	0	0	0	111.3	S82 M83 F84 E88 C89 L90	S82-S86 PolarHBondContact O-N 2.93Å; S82-S86 VanDerWaalsContact O-N 3.08Å; M83-S86 VanDerWaalsContact O-CB 3.24Å; M83-S86 WeakPolarHBondContact O-CB 2.97Å; M83-S86 PolarHBondContact O-N 3.34Å; M83-S86 PolarHBondContact O-OG 2.83Å; F84-S86 VanDerWaalsContact C-N 3.33Å; S86-E88 PolarHBondContact O-N 3.33Å; S86-C89 PolarHBondContact O-N 3.4Å; S86-C89 VanDerWaalsContact O-N 3.1Å; S86-C89 PolarHBondContact OG-N 2.67Å; S86-L90 VanDerWaalsContact O-CG 3.29Å; S86-L90 WeakPolarHBondContact O-CG 3.43Å; S86-L90 PolarHBondContact O-N 3.39Å
87	S	79.4	Confident	77.3	Confident	91 Å²	91	79.5 Å²	79.5	64%	0.636	41%	0.414	S	S	*	.	H	α-helix	trans	-58.7	-22.8	177.9	58.9	0	0	0	0	113.3	K91	S87-K91 WeakPolarHBondContact O-CG 3.43Å
88	E	78.9	Confident	75.9	Confident	139 Å²	139	78.9 Å²	78.9	65%	0.65	41%	0.407	S	S	*	.	H	α-helix	trans	-74.2	-49.3	173.6	-64.5	-169.9	149.9	0	0	112.2	S86 L90 K91 Y92	S86-E88 PolarHBondContact O-N 3.33Å; E88-L90 VanDerWaalsContact C-N 3.33Å; E88-L90 PolarHBondContact O-N 3.35Å; E88-K91 WeakPolarHBondContact O-CB 3.35Å; E88-K91 PolarHBondContact O-N 3.47Å; E88-Y92 VanDerWaalsContact O-CD2 3.31Å; E88-Y92 WeakPolarHBondContact O-CD2 3.5Å
89	C	75	Confident	74.6	Confident	33 Å²	33	77.4 Å²	77.4	22%	0.223	41%	0.407	C	S	.	.	H	α-helix	trans	-66.1	-36.6	177.1	-80.8	0	0	0	0	111.9	M83 F84 S86 K91 Y92 Y93	M83-C89 PolarHBondContact O-SG 3.08Å; F84-C89 WeakPolarHBondContact O-CB 3.16Å; S86-C89 PolarHBondContact O-N 3.4Å; S86-C89 VanDerWaalsContact O-N 3.1Å; S86-C89 PolarHBondContact OG-N 2.67Å; C89-K91 PolarHBondContact O-N 3.33Å; C89-Y92 PolarHBondContact O-N 3.07Å; C89-Y93 HydrophobicContact CB-CE2 3.97Å; C89-Y93 WeakPolarHBondContact O-CD2 3.16Å; C89-Y93 VanDerWaalsContact O-CE2 3.3Å; C89-Y93 WeakPolarHBondContact O-CE2 3.24Å
90	L	73.1	Confident	73.2	Confident	53 Å²	53	75.7 Å²	75.7	28%	0.277	40%	0.399	S	S	.	.	H	α-helix	trans	-60.2	-27	178.8	-68.9	-174.1	0	0	0	113.5	S86 E88 Y92 Y93 M98	S86-L90 VanDerWaalsContact O-CG 3.29Å; S86-L90 WeakPolarHBondContact O-CG 3.43Å; S86-L90 PolarHBondContact O-N 3.39Å; E88-L90 VanDerWaalsContact C-N 3.33Å; E88-L90 PolarHBondContact O-N 3.35Å; L90-Y92 PolarHBondContact O-N 3.35Å; L90-Y93 HydrophobicContact CD2-CD2 3.71Å; L90-Y93 HydrophobicContact CD2-CE2 4.13Å; L90-Y93 PolarHBondContact O-N 3.1Å; L90-M98 HydrophobicContact CD1-CE 4.32Å; L90-M98 HydrophobicContact CD1-SD 4.29Å; L90-M98 HydrophobicContact CD2-CE 3.65Å; L90-M98 HydrophobicContact CD2-CG 4.11Å; L90-M98 HydrophobicContact CD2-SD 3.46Å; L90-M98 WeakPolarHBondContact CD2-SD 3.17Å; L90-M98 HydrophobicContact CG-SD 4.33Å
91	K	72.1	Confident	72	Confident	166 Å²	166	75.5 Å²	75.5	72%	0.722	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.6	174.9	-69.1	166.4	-172.4	176.9	0	113.2	S87 E88 C89	S87-K91 WeakPolarHBondContact O-CG 3.43Å; E88-K91 WeakPolarHBondContact O-CB 3.35Å; E88-K91 PolarHBondContact O-N 3.47Å; C89-K91 PolarHBondContact O-N 3.33Å
92	Y	68.1	Low	70.8	Confident	177 Å²	177	77.4 Å²	77.4	69%	0.694	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-4.5	-179.5	-62.2	-80.3	0	0	0	113	E88 C89 L90	E88-Y92 VanDerWaalsContact O-CD2 3.31Å; E88-Y92 WeakPolarHBondContact O-CD2 3.5Å; C89-Y92 PolarHBondContact O-N 3.07Å; L90-Y92 PolarHBondContact O-N 3.35Å
93	Y	66.9	Low	69.4	Low	20 Å²	20	75.9 Å²	75.9	8%	0.078	39%	0.393	C	S	.	.	S	Bend	trans	-101.6	134.5	176.1	-53	-48.4	0	0	0	110.9	F18 F84 C89 L90 T97 M98	F18-Y93 HydrophobicContact CB-CD1 4.32Å; F18-Y93 HydrophobicContact CB-CE1 4.38Å; F18-Y93 AromaticContact CD1-CE1 3.86Å; F18-Y93 HydrophobicContact CD1-CE1 3.86Å; F18-Y93 HydrophobicContact CD2-CD1 4.2Å; F18-Y93 AromaticContact CD2-CE1 3.76Å; F18-Y93 HydrophobicContact CD2-CE1 3.76Å; F18-Y93 AromaticContact CE1-CE1 3.96Å; F18-Y93 HydrophobicContact CE1-CE1 3.96Å; F18-Y93 AromaticContact CE2-CE1 3.88Å; F18-Y93 HydrophobicContact CE2-CE1 3.88Å; F18-Y93 HydrophobicContact CG-CD1 4.15Å; F18-Y93 AromaticContact CG-CE1 3.75Å; F18-Y93 HydrophobicContact CG-CE1 3.75Å; F18-Y93 AromaticContact CZ-CE1 3.97Å; F18-Y93 HydrophobicContact CZ-CE1 3.97Å; F84-Y93 HydrophobicContact CD2-CE2 4.38Å; F84-Y93 AromaticContact CD2-CZ 3.95Å; F84-Y93 WeakPolarHBondContact CD2-OH 3.37Å; F84-Y93 HydrophobicContact CE1-CE2 4.33Å; F84-Y93 HydrophobicContact CE2-CE1 4.05Å; F84-Y93 HydrophobicContact CE2-CE2 4.04Å; F84-Y93 AromaticContact CE2-CZ 3.44Å; F84-Y93 VanDerWaalsContact CE2-CZ 3.44Å; F84-Y93 WeakPolarHBondContact CE2-OH 3.33Å; F84-Y93 HydrophobicContact CZ-CE1 4.23Å; F84-Y93 HydrophobicContact CZ-CE2 4Å; F84-Y93 AromaticContact CZ-CZ 3.75Å; F84-Y93 WeakPolarHBondContact O-CE2 3.47Å; C89-Y93 HydrophobicContact CB-CE2 3.97Å; C89-Y93 WeakPolarHBondContact O-CD2 3.16Å; C89-Y93 VanDerWaalsContact O-CE2 3.3Å; C89-Y93 WeakPolarHBondContact O-CE2 3.24Å; L90-Y93 HydrophobicContact CD2-CD2 3.71Å; L90-Y93 HydrophobicContact CD2-CE2 4.13Å; L90-Y93 PolarHBondContact O-N 3.1Å; Y93-T97 HydrophobicContact CD1-CG2 4.4Å; Y93-M98 HydrophobicContact CD2-CG 4.5Å
94	S	62.6	Low	68	Low	62 Å²	62	76.1 Å²	76.1	43%	0.434	40%	0.399	S	S	.	.			trans	-67.9	152.1	164.6	80.5	0	0	0	0	110	D96 T97 M98	S94-D96 PolarHBondContact O-N 3.05Å; S94-D96 VanDerWaalsContact O-N 3.15Å; S94-T97 WeakPolarHBondContact O-CB 3.1Å; S94-T97 PolarHBondContact O-N 3.44Å; S94-T97 PolarHBondContact OG-N 3.25Å; S94-T97 VanDerWaalsContact OG-N 3.11Å; S94-T97 PolarHBondContact OG-OG1 3.45Å; S94-M98 PolarHBondContact O-N 2.69Å
95	N	63.7	Low	67	Low	139 Å²	139	79.2 Å²	79.2	74%	0.743	42%	0.415	S	S	*	.	H	α-helix	trans	-54.4	-33	174.7	-81.7	-14.3	0	0	0	112.4	T99	N95-T99 PolarHBondContact O-N 3.43Å; N95-T99 VanDerWaalsContact O-N 3.1Å; N95-T99 PolarHBondContact O-OG1 2.78Å
96	D	61.8	Low	65.5	Low	85 Å²	85	79.9 Å²	79.9	46%	0.455	43%	0.426	S	S	.	.	H	α-helix	trans	-68.2	-41.9	175.8	177.6	73.5	0	0	0	112	S94 T99 K100	S94-D96 PolarHBondContact O-N 3.05Å; S94-D96 VanDerWaalsContact O-N 3.15Å; D96-T99 PolarHBondContact O-N 2.9Å; D96-K100 WeakPolarHBondContact O-CG 3.13Å; D96-K100 PolarHBondContact O-N 3.08Å; D96-K100 WeakPolarHBondContact OD1-CE 3.36Å; D96-K100 IonicContact OD1-NZ 3.33Å; D96-K100 PolarHBondContact OD1-NZ 2.73Å; D96-K100 WeakPolarHBondContact OD2-CE 3.32Å; D96-K100 IonicContact OD2-NZ 2.67Å; D96-K100 PolarHBondContact OD2-NZ 3.39Å
97	T	62.5	Low	63.7	Low	14 Å²	14	86.7 Å²	86.7	9%	0.086	45%	0.451	C	S	.	.	H	α-helix	trans	-62.4	-45.6	176.1	-53.6	0	0	0	0	111.1	T20 Y93 S94 T99 K100 I101	T20-T97 HydrophobicContact CG2-CG2 4.34Å; Y93-T97 HydrophobicContact CD1-CG2 4.4Å; S94-T97 WeakPolarHBondContact O-CB 3.1Å; S94-T97 PolarHBondContact O-N 3.44Å; S94-T97 PolarHBondContact OG-N 3.25Å; S94-T97 VanDerWaalsContact OG-N 3.11Å; S94-T97 PolarHBondContact OG-OG1 3.45Å; T97-T99 PolarHBondContact O-N 3.18Å; T97-K100 PolarHBondContact O-N 2.71Å; T97-I101 HydrophobicContact CG2-CD1 3.75Å; T97-I101 WeakPolarHBondContact O-CD1 3.12Å; T97-I101 WeakPolarHBondContact O-CG1 3.3Å; T97-I101 PolarHBondContact O-N 3.2Å
98	M	63	Low	61.8	Low	44 Å²	44	90 Å²	90	22%	0.217	45%	0.454	C	S	.	.	H	α-helix	trans	-59	-46.4	175.3	-86.3	-155.6	71.6	0	0	112.5	L90 Y93 S94 K100 I101 L102	L90-M98 HydrophobicContact CD1-CE 4.32Å; L90-M98 HydrophobicContact CD1-SD 4.29Å; L90-M98 HydrophobicContact CD2-CE 3.65Å; L90-M98 HydrophobicContact CD2-CG 4.11Å; L90-M98 HydrophobicContact CD2-SD 3.46Å; L90-M98 WeakPolarHBondContact CD2-SD 3.17Å; L90-M98 HydrophobicContact CG-SD 4.33Å; Y93-M98 HydrophobicContact CD2-CG 4.5Å; S94-M98 PolarHBondContact O-N 2.69Å; M98-K100 VanDerWaalsContact C-N 3.3Å; M98-K100 PolarHBondContact O-N 3.36Å; M98-I101 PolarHBondContact O-N 3.01Å; M98-L102 HydrophobicContact CE-CD1 4.18Å; M98-L102 WeakPolarHBondContact O-CB 3.49Å; M98-L102 WeakPolarHBondContact O-CG 3.39Å; M98-L102 PolarHBondContact O-N 3.37Å
99	T	62.4	Low	59.7	Low	94 Å²	94	94.7 Å²	94.7	58%	0.577	47%	0.466	S	S	*	.	H	α-helix	trans	-61.7	-40.5	-178.6	-56.4	0	0	0	0	111.1	N95 D96 T97 S103	N95-T99 PolarHBondContact O-N 3.43Å; N95-T99 VanDerWaalsContact O-N 3.1Å; N95-T99 PolarHBondContact O-OG1 2.78Å; D96-T99 PolarHBondContact O-N 2.9Å; T97-T99 PolarHBondContact O-N 3.18Å; T99-S103 WeakPolarHBondContact O-CB 3.46Å; T99-S103 PolarHBondContact O-N 3.18Å; T99-S103 VanDerWaalsContact O-N 3.07Å
100	K	62	Low	57.6	Low	99 Å²	99	104.1 Å²	104.1	43%	0.43	51%	0.51	S	S	.	.	H	α-helix	trans	-66.5	-44.5	176.4	-75.8	169.5	-179.4	162.2	0	112.4	T20 D96 T97 M98 S103 V104	T20-K100 HydrophobicContact CG2-CD 4.26Å; D96-K100 WeakPolarHBondContact O-CG 3.13Å; D96-K100 PolarHBondContact O-N 3.08Å; D96-K100 WeakPolarHBondContact OD1-CE 3.36Å; D96-K100 IonicContact OD1-NZ 3.33Å; D96-K100 PolarHBondContact OD1-NZ 2.73Å; D96-K100 WeakPolarHBondContact OD2-CE 3.32Å; D96-K100 IonicContact OD2-NZ 2.67Å; D96-K100 PolarHBondContact OD2-NZ 3.39Å; T97-K100 PolarHBondContact O-N 2.71Å; M98-K100 VanDerWaalsContact C-N 3.3Å; M98-K100 PolarHBondContact O-N 3.36Å; K100-S103 PolarHBondContact O-N 2.74Å; K100-S103 PolarHBondContact O-OG 3.11Å; K100-V104 WeakPolarHBondContact O-CG2 3.29Å; K100-V104 PolarHBondContact O-N 3Å
101	I	61.8	Low	56.8	Low	26 Å²	26	106.7 Å²	106.7	13%	0.133	52%	0.521	C	S	.	.	H	α-helix	trans	-64.2	-45.8	178.7	-69	155	0	0	0	111.2	F84 T97 M98 S103 V104 I105	F84-I101 HydrophobicContact CE1-CD1 4.04Å; F84-I101 HydrophobicContact CE1-CG2 3.82Å; F84-I101 HydrophobicContact CZ-CD1 3.6Å; F84-I101 HydrophobicContact CZ-CG2 4.3Å; T97-I101 HydrophobicContact CG2-CD1 3.75Å; T97-I101 WeakPolarHBondContact O-CD1 3.12Å; T97-I101 WeakPolarHBondContact O-CG1 3.3Å; T97-I101 PolarHBondContact O-N 3.2Å; M98-I101 PolarHBondContact O-N 3.01Å; I101-S103 VanDerWaalsContact C-N 3.26Å; I101-S103 PolarHBondContact O-N 2.66Å; I101-V104 PolarHBondContact O-N 3.17Å; I101-V104 VanDerWaalsContact O-N 3.15Å; I101-I105 HydrophobicContact CG2-CD1 3.78Å; I101-I105 HydrophobicContact CG2-CG1 4.48Å; I101-I105 WeakPolarHBondContact O-CG1 3.42Å; I101-I105 PolarHBondContact O-N 3.48Å; I101-I105 VanDerWaalsContact O-N 3.09Å
102	L	60.9	Low	56	Low	79 Å²	79	103.5 Å²	103.5	41%	0.414	51%	0.511	S	S	.	.	H	α-helix	trans	-58.9	-38.7	176.6	-73.4	168.9	0	0	0	111.9	F85 M98 V104 I105 T106	F85-L102 HydrophobicContact CE1-CD2 4.11Å; F85-L102 HydrophobicContact CZ-CD2 4.37Å; M98-L102 HydrophobicContact CE-CD1 4.18Å; M98-L102 WeakPolarHBondContact O-CB 3.49Å; M98-L102 WeakPolarHBondContact O-CG 3.39Å; M98-L102 PolarHBondContact O-N 3.37Å; L102-V104 PolarHBondContact O-N 3.23Å; L102-I105 PolarHBondContact O-N 2.92Å; L102-T106 WeakPolarHBondContact O-CB 3.31Å; L102-T106 PolarHBondContact O-N 2.98Å; L102-T106 PolarHBondContact O-OG1 3.17Å
103	S	57.3	Low	55.3	Low	54 Å²	54	99.4 Å²	99.4	38%	0.378	50%	0.5	S	S	.	.	H	α-helix	trans	-65.3	-34.1	177.4	79.8	0	0	0	0	113.7	T99 K100 I101 T106 K107	T99-S103 WeakPolarHBondContact O-CB 3.46Å; T99-S103 PolarHBondContact O-N 3.18Å; T99-S103 VanDerWaalsContact O-N 3.07Å; K100-S103 PolarHBondContact O-N 2.74Å; K100-S103 PolarHBondContact O-OG 3.11Å; I101-S103 VanDerWaalsContact C-N 3.26Å; I101-S103 PolarHBondContact O-N 2.66Å; S103-T106 WeakPolarHBondContact CA-OG1 3.39Å; S103-T106 PolarHBondContact O-OG1 2.85Å; S103-K107 VanDerWaalsContact O-CB 3.31Å; S103-K107 WeakPolarHBondContact O-CB 3.37Å; S103-K107 PolarHBondContact O-N 3.15Å
104	V	56.3	Low	54.6	Low	96 Å²	96	104.1 Å²	104.1	58%	0.582	53%	0.525	S	S	*	.	H	α-helix	trans	-74.1	-39.2	177.9	172.5	0	0	0	0	111	K100 I101 L102 K108	K100-V104 WeakPolarHBondContact O-CG2 3.29Å; K100-V104 PolarHBondContact O-N 3Å; I101-V104 PolarHBondContact O-N 3.17Å; I101-V104 VanDerWaalsContact O-N 3.15Å; L102-V104 PolarHBondContact O-N 3.23Å; V104-K108 WeakPolarHBondContact O-CB 3.47Å; V104-K108 PolarHBondContact O-N 3.1Å
105	I	56.5	Low	54.1	Low	80 Å²	80	106.8 Å²	106.8	41%	0.41	53%	0.531	S	S	.	.	H	α-helix	trans	-68.6	-43.1	178	-64.7	171.4	0	0	0	110.5	F85 I101 L102 K108	F85-I105 HydrophobicContact CE2-CD1 4.31Å; F85-I105 HydrophobicContact CZ-CD1 3.74Å; I101-I105 HydrophobicContact CG2-CD1 3.78Å; I101-I105 HydrophobicContact CG2-CG1 4.48Å; I101-I105 WeakPolarHBondContact O-CG1 3.42Å; I101-I105 PolarHBondContact O-N 3.48Å; I101-I105 VanDerWaalsContact O-N 3.09Å; L102-I105 PolarHBondContact O-N 2.92Å; I105-K108 PolarHBondContact O-N 3.24Å
106	T	48.9	Very low	53.5	Low	93 Å²	93	104.6 Å²	104.6	57%	0.571	52%	0.517	S	S	*	.	H	α-helix	trans	-71.5	-40	179.8	42.4	0	0	0	0	113.5	L102 S103 K108 W109	L102-T106 WeakPolarHBondContact O-CB 3.31Å; L102-T106 PolarHBondContact O-N 2.98Å; L102-T106 PolarHBondContact O-OG1 3.17Å; S103-T106 WeakPolarHBondContact CA-OG1 3.39Å; S103-T106 PolarHBondContact O-OG1 2.85Å; T106-K108 PolarHBondContact O-N 3.06Å; T106-W109 PolarHBondContact O-N 3.35Å
107	K	45.2	Very low	52.9	Low	176 Å²	176	106 Å²	106	77%	0.765	52%	0.521	S	S	*	.	H	α-helix	trans	-66.8	-21.1	175.9	-88.2	-174	173.1	-179.3	0	114.5	S103	S103-K107 VanDerWaalsContact O-CB 3.31Å; S103-K107 WeakPolarHBondContact O-CB 3.37Å; S103-K107 PolarHBondContact O-N 3.15Å
108	K	38.6	Very low	52.2	Low	161 Å²	161	113.1 Å²	113.1	70%	0.7	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-4.3	-178.7	-158.7	161.1	-177.9	174.4	0	113	V104 I105 T106	V104-K108 WeakPolarHBondContact O-CB 3.47Å; V104-K108 PolarHBondContact O-N 3.1Å; I105-K108 PolarHBondContact O-N 3.24Å; T106-K108 PolarHBondContact O-N 3.06Å
109	W	34.8	Very low	51.3	Low	238 Å²	238	118.8 Å²	118.8	90%	0.902	58%	0.583	S	S	*	*			trans	-108.4	2.5	178.1	-101.2	78.9	0	0	0	113.9	T106	T106-W109 PolarHBondContact O-N 3.35Å
110	M	30.7	Very low	50.3	Low	230 Å²	230	121.1 Å²	121.1	100%	1.133	58%	0.583	S	S	*	*			trans	-113.9	0	169	-174.5	178.5	-75.7	0	0	108.9

Retrieved 110 of 110 residues in 237.5 ms (Link to these results)

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