A0A5K4F4B5_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F4B5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 157 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.9	Very low	49.9	Very low	229 Å²	229	126.2 Å²	126.2	100%	1.128	65%	0.645	S	S	*	*				0	109.3	0	-72.8	-171.7	145.4	0	0	108.1	L3	M1-L3 PolarHBondContact O-N 3.21Å
2	P	43.9	Very low	50	Low	118 Å²	118	119.3 Å²	119.3	77%	0.766	62%	0.621	S	S	*	*			trans	-75.2	103.1	177.2	30	-26.2	0	0	0	106.9	I4	P2-I4 PolarHBondContact O-N 2.74Å
3	L	49.3	Very low	49.8	Very low	166 Å²	166	121.1 Å²	121.1	87%	0.869	62%	0.616	S	S	*	*			trans	-61.4	83.3	160.2	-76.7	157.7	0	0	0	106.1	M1 N5	M1-L3 PolarHBondContact O-N 3.21Å; L3-N5 VanDerWaalsContact C-N 3.26Å; L3-N5 PolarHBondContact O-N 3.42Å
4	I	52.1	Low	49.8	Very low	133 Å²	133	120.5 Å²	120.5	68%	0.682	61%	0.61	S	S	*	*			trans	-54.9	105.4	164.8	-68.2	172.6	0	0	0	104	P2 Y6	P2-I4 PolarHBondContact O-N 2.74Å; I4-Y6 PolarHBondContact O-N 3.01Å
5	N	55.7	Low	49.7	Very low	98 Å²	98	124.1 Å²	124.1	52%	0.524	61%	0.613	S	S	.	*			trans	-53.6	114.8	-167.5	-172.9	-16	0	0	0	107.1	L3 R7 T8 A9	L3-N5 VanDerWaalsContact C-N 3.26Å; L3-N5 PolarHBondContact O-N 3.42Å; N5-R7 CarbonylContact O-C 3.57Å; N5-R7 PolarHBondContact O-N 3.44Å; N5-T8 WeakPolarHBondContact O-CA 3.37Å; N5-T8 WeakPolarHBondContact O-CB 3.41Å; N5-T8 PolarHBondContact O-N 3.05Å; N5-T8 PolarHBondContact O-OG1 3.43Å; N5-A9 PolarHBondContact O-N 3.03Å
6	Y	51.9	Low	49.7	Very low	181 Å²	181	124.8 Å²	124.8	71%	0.71	61%	0.612	S	S	*	*	H	α-helix	trans	-49.7	-32	-174.6	177	-95.2	0	0	0	111.9	I4 A9 L10	I4-Y6 PolarHBondContact O-N 3.01Å; Y6-A9 PolarHBondContact O-N 3.24Å; Y6-L10 WeakPolarHBondContact O-CB 3.46Å; Y6-L10 PolarHBondContact O-N 3.39Å
7	R	47.8	Very low	49.5	Very low	196 Å²	196	125.2 Å²	125.2	74%	0.74	61%	0.612	S	S	*	*	H	α-helix	trans	-59.5	-43	171.2	-88.3	-177.7	168.9	175.2	-2.3	113.6	N5 L10 T11	N5-R7 CarbonylContact O-C 3.57Å; N5-R7 PolarHBondContact O-N 3.44Å; R7-L10 PolarHBondContact O-N 3.32Å; R7-T11 VanDerWaalsContact O-CB 3.29Å; R7-T11 WeakPolarHBondContact O-CB 3.48Å; R7-T11 PolarHBondContact O-N 3.11Å; R7-T11 PolarHBondContact O-OG1 2.68Å
8	T	60.4	Low	49.3	Very low	87 Å²	87	123.1 Å²	123.1	53%	0.534	61%	0.612	S	S	.	*	H	α-helix	trans	-65.4	-42.4	178.4	-47	0	0	0	0	110.8	N5 T11 A12	N5-T8 WeakPolarHBondContact O-CA 3.37Å; N5-T8 WeakPolarHBondContact O-CB 3.41Å; N5-T8 PolarHBondContact O-N 3.05Å; N5-T8 PolarHBondContact O-OG1 3.43Å; T8-T11 PolarHBondContact O-N 3.38Å; T8-A12 WeakPolarHBondContact O-CB 3.47Å; T8-A12 PolarHBondContact O-N 3.09Å
9	A	51.2	Low	49	Very low	49 Å²	49	119.1 Å²	119.1	41%	0.405	60%	0.595	S	S	.	*	H	α-helix	trans	-64.4	-45.2	176.3	0	0	0	0	0	111.9	N5 Y6 T11 A12 Y13	N5-A9 PolarHBondContact O-N 3.03Å; Y6-A9 PolarHBondContact O-N 3.24Å; A9-T11 PolarHBondContact O-N 3.48Å; A9-A12 PolarHBondContact O-N 3.04Å; A9-Y13 WeakPolarHBondContact O-CB 3.14Å; A9-Y13 PolarHBondContact O-N 3.23Å
10	L	46.4	Very low	49	Very low	73 Å²	73	117.5 Å²	117.5	38%	0.382	59%	0.592	S	S	.	*	H	α-helix	trans	-63.7	-41.3	176.7	-166.8	76.8	0	0	0	111.7	Y6 R7 A12 Y13 Q14	Y6-L10 WeakPolarHBondContact O-CB 3.46Å; Y6-L10 PolarHBondContact O-N 3.39Å; R7-L10 PolarHBondContact O-N 3.32Å; L10-A12 VanDerWaalsContact C-N 3.35Å; L10-Y13 PolarHBondContact O-N 3.41Å; L10-Q14 WeakPolarHBondContact O-CB 3.26Å; L10-Q14 WeakPolarHBondContact O-CG 3.33Å; L10-Q14 PolarHBondContact O-N 3.06Å
11	T	52.4	Low	48.8	Very low	58 Å²	58	115.6 Å²	115.6	36%	0.356	59%	0.589	S	S	.	*	H	α-helix	trans	-64.8	-40.5	177.1	-54.8	0	0	0	0	110.9	R7 T8 A9 R15	R7-T11 VanDerWaalsContact O-CB 3.29Å; R7-T11 WeakPolarHBondContact O-CB 3.48Å; R7-T11 PolarHBondContact O-N 3.11Å; R7-T11 PolarHBondContact O-OG1 2.68Å; T8-T11 PolarHBondContact O-N 3.38Å; A9-T11 PolarHBondContact O-N 3.48Å; T11-R15 WeakPolarHBondContact O-CB 3.47Å; T11-R15 VanDerWaalsContact O-CG 3.26Å; T11-R15 WeakPolarHBondContact O-CG 3.29Å; T11-R15 PolarHBondContact O-N 3.43Å
12	A	51.5	Low	49.2	Very low	43 Å²	43	109.9 Å²	109.9	36%	0.355	57%	0.567	S	S	.	*	H	α-helix	trans	-62.5	-46.4	174.3	0	0	0	0	0	110.8	T8 A9 L10 R15 F16	T8-A12 WeakPolarHBondContact O-CB 3.47Å; T8-A12 PolarHBondContact O-N 3.09Å; A9-A12 PolarHBondContact O-N 3.04Å; L10-A12 VanDerWaalsContact C-N 3.35Å; A12-R15 WeakPolarHBondContact O-CB 3.1Å; A12-R15 PolarHBondContact O-N 3.37Å; A12-F16 WeakPolarHBondContact O-CD2 3.4Å; A12-F16 PolarHBondContact O-N 3.5Å
13	Y	47.3	Very low	49.4	Very low	143 Å²	143	106.9 Å²	106.9	56%	0.561	55%	0.548	S	S	*	.	H	α-helix	trans	-62	-45.1	178.6	-171.8	-100.1	0	0	0	112.7	A9 L10 R15 F16 Q17	A9-Y13 WeakPolarHBondContact O-CB 3.14Å; A9-Y13 PolarHBondContact O-N 3.23Å; L10-Y13 PolarHBondContact O-N 3.41Å; Y13-R15 VanDerWaalsContact C-N 3.35Å; Y13-R15 PolarHBondContact O-N 3.01Å; Y13-F16 PolarHBondContact O-N 2.71Å; Y13-Q17 HydrophobicContact CD1-CG 4.42Å; Y13-Q17 HydrophobicContact CE1-CG 4.08Å; Y13-Q17 PolarHBondContact O-N 3.48Å; Y13-Q17 PolarHBondContact OH-NE2 2.86Å
14	Q	50	Low	49.1	Very low	113 Å²	113	100.6 Å²	100.6	53%	0.528	52%	0.515	S	S	.	.	H	α-helix	trans	-64	-39.6	175.3	-74.7	178.1	-22.6	0	0	111.9	L10 Q17 S18	L10-Q14 WeakPolarHBondContact O-CB 3.26Å; L10-Q14 WeakPolarHBondContact O-CG 3.33Å; L10-Q14 PolarHBondContact O-N 3.06Å; Q14-Q17 PolarHBondContact O-N 2.93Å; Q14-S18 PolarHBondContact O-N 3.5Å; Q14-S18 PolarHBondContact O-OG 3.25Å
15	R	48.4	Very low	48.6	Very low	174 Å²	174	99.3 Å²	99.3	66%	0.657	51%	0.51	S	S	*	.	H	α-helix	trans	-59.8	-48.2	172.3	-79.1	176.7	178.3	174.1	-0	110.3	T11 A12 Y13 Q17 S18 V19	T11-R15 WeakPolarHBondContact O-CB 3.47Å; T11-R15 VanDerWaalsContact O-CG 3.26Å; T11-R15 WeakPolarHBondContact O-CG 3.29Å; T11-R15 PolarHBondContact O-N 3.43Å; A12-R15 WeakPolarHBondContact O-CB 3.1Å; A12-R15 PolarHBondContact O-N 3.37Å; Y13-R15 VanDerWaalsContact C-N 3.35Å; Y13-R15 PolarHBondContact O-N 3.01Å; R15-Q17 PolarHBondContact O-N 3.48Å; R15-S18 PolarHBondContact O-N 2.66Å; R15-S18 PolarHBondContact O-OG 2.91Å; R15-V19 WeakPolarHBondContact O-CG2 3.35Å; R15-V19 PolarHBondContact O-N 3.38Å
16	F	48.9	Very low	47.9	Very low	136 Å²	136	105.2 Å²	105.2	60%	0.596	53%	0.525	S	S	*	.	H	α-helix	trans	-59.7	-41.1	177.5	-88.8	-71.4	0	0	0	113.1	A12 Y13 S18 V19	A12-F16 WeakPolarHBondContact O-CD2 3.4Å; A12-F16 PolarHBondContact O-N 3.5Å; Y13-F16 PolarHBondContact O-N 2.71Å; F16-S18 VanDerWaalsContact C-N 3.29Å; F16-S18 PolarHBondContact O-N 3.49Å; F16-V19 PolarHBondContact O-N 3.03Å
17	Q	46.5	Very low	47.5	Very low	131 Å²	131	104.3 Å²	104.3	61%	0.612	53%	0.527	S	S	*	.	H	α-helix	trans	-64.6	-33.5	174.4	-73.7	-168.9	-17.2	0	0	112.9	Y13 Q14 R15 V19	Y13-Q17 HydrophobicContact CD1-CG 4.42Å; Y13-Q17 HydrophobicContact CE1-CG 4.08Å; Y13-Q17 PolarHBondContact O-N 3.48Å; Y13-Q17 PolarHBondContact OH-NE2 2.86Å; Q14-Q17 PolarHBondContact O-N 2.93Å; R15-Q17 PolarHBondContact O-N 3.48Å; Q17-V19 VanDerWaalsContact C-N 3.33Å
18	S	46.3	Very low	47.3	Very low	88 Å²	88	101 Å²	101	62%	0.615	52%	0.515	S	S	*	.	H	α-helix	trans	-77.1	-17.8	177	73.1	0	0	0	0	113.7	Q14 R15 F16 T20	Q14-S18 PolarHBondContact O-N 3.5Å; Q14-S18 PolarHBondContact O-OG 3.25Å; R15-S18 PolarHBondContact O-N 2.66Å; R15-S18 PolarHBondContact O-OG 2.91Å; F16-S18 VanDerWaalsContact C-N 3.29Å; F16-S18 PolarHBondContact O-N 3.49Å; S18-T20 PolarHBondContact O-N 2.85Å; S18-T20 VanDerWaalsContact O-N 3.09Å
19	V	43.7	Very low	46.3	Very low	47 Å²	47	99.6 Å²	99.6	29%	0.285	52%	0.518	S	S	.	.	S	Bend	trans	-83.7	89.8	176.3	-160.7	0	0	0	0	108.5	R15 F16 Q17 C21 S23 L24	R15-V19 WeakPolarHBondContact O-CG2 3.35Å; R15-V19 PolarHBondContact O-N 3.38Å; F16-V19 PolarHBondContact O-N 3.03Å; Q17-V19 VanDerWaalsContact C-N 3.33Å; V19-C21 PolarHBondContact O-N 2.91Å; V19-S23 VanDerWaalsContact CG1-CB 3.5Å; V19-L24 HydrophobicContact CB-CD2 4.28Å; V19-L24 HydrophobicContact CB-CG 4.13Å; V19-L24 HydrophobicContact CG1-CB 4.4Å; V19-L24 HydrophobicContact CG1-CD2 3.74Å; V19-L24 HydrophobicContact CG1-CG 3.53Å
20	T	48.7	Very low	45.9	Very low	87 Å²	87	102.6 Å²	102.6	53%	0.534	54%	0.536	S	S	.	.			trans	-51.4	142	168.1	52.9	0	0	0	0	109.9	S18 V22 S23 L24	S18-T20 PolarHBondContact O-N 2.85Å; S18-T20 VanDerWaalsContact O-N 3.09Å; T20-V22 PolarHBondContact O-N 3.3Å; T20-S23 WeakPolarHBondContact O-CA 3.43Å; T20-S23 WeakPolarHBondContact O-CB 3.41Å; T20-S23 PolarHBondContact O-N 3.48Å; T20-S23 PolarHBondContact OG1-OG 2.91Å; T20-L24 PolarHBondContact O-N 3.29Å
21	C	44.6	Very low	46	Very low	77 Å²	77	103.6 Å²	103.6	52%	0.52	55%	0.549	S	S	.	.	H	α-helix	trans	-43.3	-36.7	-178.9	-177.6	0	0	0	0	113.8	V19 S23 L24 N25	V19-C21 PolarHBondContact O-N 2.91Å; C21-S23 PolarHBondContact O-N 3.42Å; C21-L24 PolarHBondContact O-N 3.22Å; C21-N25 PolarHBondContact O-N 2.71Å; C21-N25 VanDerWaalsContact O-N 3.11Å
22	V	47.1	Very low	46.1	Very low	110 Å²	110	103.3 Å²	103.3	67%	0.667	55%	0.545	S	S	*	.	H	α-helix	trans	-59.6	-40.8	175.1	-178.4	0	0	0	0	113	T20 R26	T20-V22 PolarHBondContact O-N 3.3Å; V22-R26 WeakPolarHBondContact O-CB 3.21Å; V22-R26 PolarHBondContact O-N 2.91Å
23	S	47.7	Very low	46.6	Very low	55 Å²	55	103.8 Å²	103.8	39%	0.385	55%	0.545	S	S	.	.	H	α-helix	trans	-73.2	-35.2	-178.8	-58.1	0	0	0	0	112	V19 T20 C21 R26 H27	V19-S23 VanDerWaalsContact CG1-CB 3.5Å; T20-S23 WeakPolarHBondContact O-CA 3.43Å; T20-S23 WeakPolarHBondContact O-CB 3.41Å; T20-S23 PolarHBondContact O-N 3.48Å; T20-S23 PolarHBondContact OG1-OG 2.91Å; C21-S23 PolarHBondContact O-N 3.42Å; S23-R26 PolarHBondContact O-N 3.42Å; S23-H27 WeakPolarHBondContact O-CB 3.34Å; S23-H27 PolarHBondContact O-N 2.99Å
24	L	43.2	Very low	47.2	Very low	33 Å²	33	97.7 Å²	97.7	17%	0.173	52%	0.522	C	S	.	.	H	α-helix	trans	-64.6	-47.1	172.7	-74.3	172.1	0	0	0	111	V19 T20 C21 R26 H27 Y28 L35	V19-L24 HydrophobicContact CB-CD2 4.28Å; V19-L24 HydrophobicContact CB-CG 4.13Å; V19-L24 HydrophobicContact CG1-CB 4.4Å; V19-L24 HydrophobicContact CG1-CD2 3.74Å; V19-L24 HydrophobicContact CG1-CG 3.53Å; T20-L24 PolarHBondContact O-N 3.29Å; C21-L24 PolarHBondContact O-N 3.22Å; L24-R26 VanDerWaalsContact C-N 3.26Å; L24-R26 PolarHBondContact O-N 3.24Å; L24-H27 PolarHBondContact O-N 3.49Å; L24-Y28 HydrophobicContact CD2-CD2 4.26Å; L24-Y28 HydrophobicContact CD2-CE2 3.97Å; L24-Y28 WeakPolarHBondContact O-CD2 3.48Å; L24-Y28 PolarHBondContact O-N 2.86Å; L24-L35 HydrophobicContact CD1-CD2 4.23Å
25	N	40.7	Very low	48.1	Very low	107 Å²	107	94.3 Å²	94.3	57%	0.572	51%	0.508	S	S	*	.	H	α-helix	trans	-61.7	-33.7	176.7	-80.7	-23.2	0	0	0	112.7	C21	C21-N25 PolarHBondContact O-N 2.71Å; C21-N25 VanDerWaalsContact O-N 3.11Å
26	R	41.6	Very low	49.5	Very low	221 Å²	221	90.3 Å²	90.3	83%	0.834	50%	0.497	S	S	*	.	H	α-helix	trans	-74.9	-34.7	177.4	-164.3	178.6	-165.7	172.1	5	113.1	V22 S23 L24	V22-R26 WeakPolarHBondContact O-CB 3.21Å; V22-R26 PolarHBondContact O-N 2.91Å; S23-R26 PolarHBondContact O-N 3.42Å; L24-R26 VanDerWaalsContact C-N 3.26Å; L24-R26 PolarHBondContact O-N 3.24Å
27	H	42.7	Very low	51	Low	162 Å²	162	85.1 Å²	85.1	75%	0.75	47%	0.473	S	S	*	.	H	α-helix	trans	-81	-36.4	-177.2	-121.2	33.6	0	0	0	113.1	S23 L24 G29	S23-H27 WeakPolarHBondContact O-CB 3.34Å; S23-H27 PolarHBondContact O-N 2.99Å; L24-H27 PolarHBondContact O-N 3.49Å; H27-G29 PolarHBondContact O-N 3.47Å
28	Y	45.1	Very low	52.5	Low	127 Å²	127	81.2 Å²	81.2	50%	0.498	45%	0.454	S	S	.	.	S	Bend	trans	-104.4	51.4	-175.9	-64	-76.4	0	0	0	111.8	L24 S30 L32	L24-Y28 HydrophobicContact CD2-CD2 4.26Å; L24-Y28 HydrophobicContact CD2-CE2 3.97Å; L24-Y28 WeakPolarHBondContact O-CD2 3.48Å; L24-Y28 PolarHBondContact O-N 2.86Å; Y28-S30 PolarHBondContact O-N 2.96Å; Y28-L32 HydrophobicContact CD1-CD1 3.96Å; Y28-L32 HydrophobicContact CG-CD1 4.02Å
29	G	37.5	Very low	54.2	Low	57 Å²	57	79.4 Å²	79.4	59%	0.588	44%	0.44	S	S	*	.			trans	-28.6	129.6	-176	0	0	0	0	0	114.5	H27	H27-G29 PolarHBondContact O-N 3.47Å
30	S	43.6	Very low	56.2	Low	113 Å²	113	78.8 Å²	78.8	79%	0.79	43%	0.433	S	S	*	.	S	Bend	trans	61.5	90.4	176.9	-58.7	0	0	0	0	114.2	Y28 L32	Y28-S30 PolarHBondContact O-N 2.96Å; S30-L32 PolarHBondContact O-N 3.04Å
31	S	49	Very low	57.8	Low	94 Å²	94	74.8 Å²	74.8	66%	0.657	41%	0.408	S	S	*	.			trans	43	72.6	152.8	64	0	0	0	0	114.6	P33	S31-P33 WeakPolarHBondContact O-CD 3.38Å
32	L	54.8	Low	59.7	Low	51 Å²	51	73.7 Å²	73.7	27%	0.267	40%	0.396	S	S	.	.			trans	-67.3	112.8	157.5	-87.5	167.9	0	0	0	106.9	Y28 S30 P34 L35 E36 I75	Y28-L32 HydrophobicContact CD1-CD1 3.96Å; Y28-L32 HydrophobicContact CG-CD1 4.02Å; S30-L32 PolarHBondContact O-N 3.04Å; L32-P34 VanDerWaalsContact O-N 3.09Å; L32-L35 HydrophobicContact CB-CD1 4.13Å; L32-L35 HydrophobicContact CD1-CD1 4.29Å; L32-L35 PolarHBondContact O-N 2.91Å; L32-E36 PolarHBondContact O-N 3.17Å; L32-I75 HydrophobicContact CD1-CD1 4.34Å; L32-I75 HydrophobicContact CD2-CD1 3.77Å; L32-I75 HydrophobicContact CD2-CG2 4.4Å
33	P	61	Low	61.5	Low	54 Å²	54	73.5 Å²	73.5	35%	0.351	39%	0.388	S	S	.	.	H	α-helix	trans	-49.4	-37.2	-179.7	-22	31.3	0	0	0	113.6	S31 L35 E36 Y37 T80	S31-P33 WeakPolarHBondContact O-CD 3.38Å; P33-L35 VanDerWaalsContact C-N 3.33Å; P33-L35 PolarHBondContact O-N 3.3Å; P33-E36 WeakPolarHBondContact O-CB 3.37Å; P33-E36 PolarHBondContact O-N 3.41Å; P33-Y37 HydrophobicContact CB-CD2 4.31Å; P33-Y37 HydrophobicContact CB-CE2 3.93Å; P33-Y37 WeakPolarHBondContact O-CD2 3.4Å; P33-Y37 PolarHBondContact O-N 2.89Å; P33-T80 HydrophobicContact CB-CG2 3.97Å
34	P	60.6	Low	63.2	Low	14 Å²	14	71.1 Å²	71.1	9%	0.091	37%	0.371	C	S	.	.	H	α-helix	trans	-56.2	-40.6	176.8	-32.2	40	0	0	0	115.1	L32 F38 I75 I78	L32-P34 VanDerWaalsContact O-N 3.09Å; P34-F38 WeakPolarHBondContact O-CB 3.4Å; P34-F38 PolarHBondContact O-N 2.69Å; P34-I75 HydrophobicContact CG-CG1 4.29Å; P34-I75 HydrophobicContact CG-CG2 4.3Å; P34-I78 HydrophobicContact CB-CD1 3.51Å; P34-I78 HydrophobicContact CG-CB 4.42Å; P34-I78 HydrophobicContact CG-CD1 3.37Å; P34-I78 HydrophobicContact CG-CG1 4.45Å; P34-I78 HydrophobicContact CG-CG2 4.26Å
35	L	69	Low	65.1	Low	43 Å²	43	69.6 Å²	69.6	23%	0.225	36%	0.363	C	S	.	.	H	α-helix	trans	-70.6	-36	-179.5	-84.2	158.7	0	0	0	110.9	L24 L32 P33 T39	L24-L35 HydrophobicContact CD1-CD2 4.23Å; L32-L35 HydrophobicContact CB-CD1 4.13Å; L32-L35 HydrophobicContact CD1-CD1 4.29Å; L32-L35 PolarHBondContact O-N 2.91Å; P33-L35 VanDerWaalsContact C-N 3.33Å; P33-L35 PolarHBondContact O-N 3.3Å; L35-T39 WeakPolarHBondContact O-CB 3.45Å; L35-T39 PolarHBondContact O-N 3.31Å; L35-T39 PolarHBondContact O-OG1 2.91Å
36	E	77.5	Confident	67.1	Low	90 Å²	90	68.6 Å²	68.6	42%	0.421	36%	0.357	S	S	.	.	H	α-helix	trans	-63	-50.5	174.8	-172.4	-174.5	156	0	0	110.9	L32 P33 F38 T39 K40	L32-E36 PolarHBondContact O-N 3.17Å; P33-E36 WeakPolarHBondContact O-CB 3.37Å; P33-E36 PolarHBondContact O-N 3.41Å; E36-F38 PolarHBondContact O-N 3.46Å; E36-T39 PolarHBondContact O-N 3.04Å; E36-K40 HydrophobicContact CG-CD 4.3Å; E36-K40 WeakPolarHBondContact O-CB 3.45Å; E36-K40 WeakPolarHBondContact O-CG 3Å; E36-K40 PolarHBondContact O-N 3.41Å; E36-K40 WeakPolarHBondContact OE1-CE 3.33Å; E36-K40 IonicContact OE1-NZ 2.69Å; E36-K40 PolarHBondContact OE1-NZ 2.77Å
37	Y	79.4	Confident	69	Low	26 Å²	26	64.3 Å²	64.3	10%	0.102	34%	0.341	C	S	.	.	H	α-helix	trans	-64.1	-39.7	178.9	-69.2	-59.6	0	0	0	112.8	P33 T39 K40 L41 T80 W83 E84	P33-Y37 HydrophobicContact CB-CD2 4.31Å; P33-Y37 HydrophobicContact CB-CE2 3.93Å; P33-Y37 WeakPolarHBondContact O-CD2 3.4Å; P33-Y37 PolarHBondContact O-N 2.89Å; Y37-T39 VanDerWaalsContact C-N 3.34Å; Y37-T39 PolarHBondContact O-N 2.96Å; Y37-K40 HydrophobicContact CD1-CD 4.34Å; Y37-K40 WeakPolarHBondContact O-CB 3.13Å; Y37-K40 PolarHBondContact O-N 3Å; Y37-L41 WeakPolarHBondContact O-CG 3.46Å; Y37-L41 PolarHBondContact O-N 3.05Å; Y37-T80 HydrophobicContact CE2-CG2 4.01Å; Y37-W83 HydrophobicContact CD1-CB 4.06Å; Y37-W83 HydrophobicContact CD2-CB 4.24Å; Y37-W83 HydrophobicContact CG-CB 3.91Å; Y37-E84 HydrophobicContact CE1-CB 3.79Å; Y37-E84 WeakPolarHBondContact CE1-OE2 3.18Å; Y37-E84 PolarHBondContact OH-OE2 3.05Å
38	F	79	Confident	70.7	Confident	49 Å²	49	57.3 Å²	57.3	22%	0.215	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-47	174.2	174.2	-104.9	0	0	0	111.4	P34 E36 K40 L41 Q42 G67 L70 I71	P34-F38 WeakPolarHBondContact O-CB 3.4Å; P34-F38 PolarHBondContact O-N 2.69Å; E36-F38 PolarHBondContact O-N 3.46Å; F38-K40 PolarHBondContact O-N 3.3Å; F38-L41 PolarHBondContact O-N 3.49Å; F38-Q42 WeakPolarHBondContact O-CB 3.35Å; F38-Q42 PolarHBondContact O-N 3.22Å; F38-G67 WeakPolarHBondContact CD2-O 3.32Å; F38-L70 HydrophobicContact CB-CD2 4.04Å; F38-I71 HydrophobicContact CB-CG2 3.84Å; F38-I71 HydrophobicContact CD1-CG2 4.18Å; F38-I71 HydrophobicContact CD2-CG2 3.4Å; F38-I71 HydrophobicContact CE2-CD1 4.21Å; F38-I71 HydrophobicContact CE2-CG2 3.94Å; F38-I71 HydrophobicContact CG-CG2 3.51Å; F38-I71 HydrophobicContact CZ-CD1 4.49Å
39	T	82.2	Confident	72	Confident	51 Å²	51	52.8 Å²	52.8	31%	0.313	29%	0.294	S	S	.	.	H	α-helix	trans	-61.3	-46.5	179.2	-55.5	0	0	0	0	110.6	L35 E36 Y37 L41 Q42 E43	L35-T39 WeakPolarHBondContact O-CB 3.45Å; L35-T39 PolarHBondContact O-N 3.31Å; L35-T39 PolarHBondContact O-OG1 2.91Å; E36-T39 PolarHBondContact O-N 3.04Å; Y37-T39 VanDerWaalsContact C-N 3.34Å; Y37-T39 PolarHBondContact O-N 2.96Å; T39-L41 PolarHBondContact O-N 3.37Å; T39-Q42 PolarHBondContact O-N 3.39Å; T39-E43 WeakPolarHBondContact O-CG 3.34Å; T39-E43 PolarHBondContact O-N 3.19Å
40	K	84.6	Confident	73.6	Confident	34 Å²	34	55.5 Å²	55.5	15%	0.148	30%	0.304	C	S	.	.	H	α-helix	trans	-55.7	-47.7	175	-81.9	177.5	-179.4	172	0	112.8	E36 Y37 F38 E43 V44 E84 Y87	E36-K40 HydrophobicContact CG-CD 4.3Å; E36-K40 WeakPolarHBondContact O-CB 3.45Å; E36-K40 WeakPolarHBondContact O-CG 3Å; E36-K40 PolarHBondContact O-N 3.41Å; E36-K40 WeakPolarHBondContact OE1-CE 3.33Å; E36-K40 IonicContact OE1-NZ 2.69Å; E36-K40 PolarHBondContact OE1-NZ 2.77Å; Y37-K40 HydrophobicContact CD1-CD 4.34Å; Y37-K40 WeakPolarHBondContact O-CB 3.13Å; Y37-K40 PolarHBondContact O-N 3Å; F38-K40 PolarHBondContact O-N 3.3Å; K40-E43 PolarHBondContact O-N 3.47Å; K40-V44 WeakPolarHBondContact O-CG2 3.05Å; K40-V44 PolarHBondContact O-N 2.82Å; K40-V44 VanDerWaalsContact O-N 3.09Å; K40-E84 IonicContact NZ-OE2 3.46Å; K40-E84 PolarHBondContact NZ-OE2 3.26Å; K40-Y87 HydrophobicContact CB-CD2 3.53Å; K40-Y87 HydrophobicContact CB-CE2 3.54Å; K40-Y87 HydrophobicContact CB-CG 4.05Å; K40-Y87 HydrophobicContact CD-CD1 3.83Å; K40-Y87 HydrophobicContact CD-CD2 4.28Å; K40-Y87 HydrophobicContact CD-CE1 3.82Å; K40-Y87 HydrophobicContact CD-CE2 4.24Å; K40-Y87 HydrophobicContact CD-CG 4.04Å; K40-Y87 HydrophobicContact CG-CD2 4.19Å; K40-Y87 HydrophobicContact CG-CE1 4.26Å; K40-Y87 HydrophobicContact CG-CE2 3.88Å; K40-Y87 HydrophobicContact CG-CG 4.46Å
41	L	83	Confident	74.6	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-65.8	-39.8	177.4	-72.7	174.7	0	0	0	112.2	Y37 F38 T39 V44 A45 I63 L70 W83 L90	Y37-L41 WeakPolarHBondContact O-CG 3.46Å; Y37-L41 PolarHBondContact O-N 3.05Å; F38-L41 PolarHBondContact O-N 3.49Å; T39-L41 PolarHBondContact O-N 3.37Å; L41-V44 PolarHBondContact O-N 3.3Å; L41-A45 WeakPolarHBondContact O-CB 3.5Å; L41-A45 PolarHBondContact O-N 2.65Å; L41-I63 HydrophobicContact CB-CG2 4.46Å; L41-I63 HydrophobicContact CD2-CG2 4.45Å; L41-I63 WeakPolarHBondContact O-CG2 3.21Å; L41-L70 HydrophobicContact CD1-CD2 4.29Å; L41-W83 HydrophobicContact CD1-CE3 3.71Å; L41-W83 HydrophobicContact CD1-CZ3 3.64Å; L41-L90 HydrophobicContact CD2-CD1 3.65Å
42	Q	83.4	Confident	75.1	Confident	54 Å²	54	53.1 Å²	53.1	25%	0.252	29%	0.29	S	S	.	.	H	α-helix	trans	-63.8	-43.3	177.4	-173.9	60.8	38	0	0	111.2	F38 T39 V44 A45 D46	F38-Q42 WeakPolarHBondContact O-CB 3.35Å; F38-Q42 PolarHBondContact O-N 3.22Å; T39-Q42 PolarHBondContact O-N 3.39Å; Q42-V44 VanDerWaalsContact C-N 3.34Å; Q42-V44 PolarHBondContact O-N 3.34Å; Q42-A45 PolarHBondContact O-N 2.93Å; Q42-D46 PolarHBondContact NE2-OD1 3.09Å; Q42-D46 PolarHBondContact NE2-OD2 3.48Å; Q42-D46 WeakPolarHBondContact O-CB 3.39Å; Q42-D46 VanDerWaalsContact O-CG 3.29Å; Q42-D46 PolarHBondContact O-N 3.44Å
43	E	85.8	Confident	75.2	Confident	107 Å²	107	53 Å²	53	50%	0.5	29%	0.293	S	S	.	.	H	α-helix	trans	-59.7	-43.7	174.7	-75.1	176.8	-175.6	0	0	112.1	T39 K40 D46 R47	T39-E43 WeakPolarHBondContact O-CG 3.34Å; T39-E43 PolarHBondContact O-N 3.19Å; K40-E43 PolarHBondContact O-N 3.47Å; E43-D46 PolarHBondContact O-N 2.88Å; E43-R47 WeakPolarHBondContact O-CB 3.39Å; E43-R47 WeakPolarHBondContact O-CG 3.42Å; E43-R47 PolarHBondContact O-N 3.39Å
44	V	83.5	Confident	75	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.03	32%	0.315	C	S	.	.	H	α-helix	trans	-63.7	-44.2	176.3	171.3	0	0	0	0	110.9	K40 L41 Q42 D46 R47 W48 I63 Y87 L90 L94	K40-V44 WeakPolarHBondContact O-CG2 3.05Å; K40-V44 PolarHBondContact O-N 2.82Å; K40-V44 VanDerWaalsContact O-N 3.09Å; L41-V44 PolarHBondContact O-N 3.3Å; Q42-V44 VanDerWaalsContact C-N 3.34Å; Q42-V44 PolarHBondContact O-N 3.34Å; V44-D46 VanDerWaalsContact C-N 3.35Å; V44-D46 PolarHBondContact O-N 3.22Å; V44-R47 PolarHBondContact O-N 3.44Å; V44-W48 HydrophobicContact CG1-CE3 3.52Å; V44-W48 HydrophobicContact CG1-CZ3 3.51Å; V44-W48 WeakPolarHBondContact O-CB 3.38Å; V44-W48 PolarHBondContact O-N 3.26Å; V44-I63 HydrophobicContact CG1-CD1 4.41Å; V44-Y87 HydrophobicContact CG2-CD2 3.93Å; V44-Y87 HydrophobicContact CG2-CE2 3.65Å; V44-L90 HydrophobicContact CG1-CB 3.88Å; V44-L94 HydrophobicContact CG1-CD2 4.22Å
45	A	83.9	Confident	75.1	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63	-40	176.8	0	0	0	0	0	112.6	L41 Q42 W48 K60 I63 K64	L41-A45 WeakPolarHBondContact O-CB 3.5Å; L41-A45 PolarHBondContact O-N 2.65Å; Q42-A45 PolarHBondContact O-N 2.93Å; A45-W48 VanDerWaalsContact O-CB 3.28Å; A45-W48 WeakPolarHBondContact O-CB 3.15Å; A45-W48 PolarHBondContact O-N 3.37Å; A45-K60 WeakPolarHBondContact O-CD 3.44Å; A45-K60 WeakPolarHBondContact O-CE 3.28Å; A45-K60 WeakPolarHBondContact O-CG 3.35Å; A45-K60 PolarHBondContact O-NZ 3.07Å; A45-I63 HydrophobicContact CB-CB 4.05Å; A45-I63 HydrophobicContact CB-CG2 3.74Å; A45-K64 HydrophobicContact CB-CG 3.75Å
46	D	82.8	Confident	75.1	Confident	86 Å²	86	65.8 Å²	65.8	46%	0.46	36%	0.36	S	S	.	.	H	α-helix	trans	-70.1	-36	-177.9	-72.6	-26.6	0	0	0	111.7	Q42 E43 V44 W48 K60 K64	Q42-D46 PolarHBondContact NE2-OD1 3.09Å; Q42-D46 PolarHBondContact NE2-OD2 3.48Å; Q42-D46 WeakPolarHBondContact O-CB 3.39Å; Q42-D46 VanDerWaalsContact O-CG 3.29Å; Q42-D46 PolarHBondContact O-N 3.44Å; E43-D46 PolarHBondContact O-N 2.88Å; V44-D46 VanDerWaalsContact C-N 3.35Å; V44-D46 PolarHBondContact O-N 3.22Å; D46-W48 VanDerWaalsContact C-N 3.3Å; D46-K60 PolarHBondContact O-NZ 2.9Å; D46-K64 IonicContact OD1-NZ 3.98Å
47	R	80.8	Confident	74.6	Confident	131 Å²	131	65.1 Å²	65.1	49%	0.494	36%	0.362	S	S	.	.	H	α-helix	trans	-78.5	-10.2	172	-67.8	176	63.2	-164.7	-5.4	114	E43 V44 L94 Y98	E43-R47 WeakPolarHBondContact O-CB 3.39Å; E43-R47 WeakPolarHBondContact O-CG 3.42Å; E43-R47 PolarHBondContact O-N 3.39Å; V44-R47 PolarHBondContact O-N 3.44Å; R47-L94 HydrophobicContact CB-CD1 4.49Å; R47-L94 HydrophobicContact CB-CD2 3.68Å; R47-L94 WeakPolarHBondContact O-CD1 2.99Å; R47-Y98 PolarHBondContact O-OH 2.86Å
48	W	79.3	Confident	74.4	Confident	16 Å²	16	65.3 Å²	65.3	6%	0.061	37%	0.365	C	S	.	.	S	Bend	trans	-66.1	132.3	-176.6	-150.2	-89.4	0	0	0	110.8	V44 A45 D46 L59 K60 I63 L90 I93 L94	V44-W48 HydrophobicContact CG1-CE3 3.52Å; V44-W48 HydrophobicContact CG1-CZ3 3.51Å; V44-W48 WeakPolarHBondContact O-CB 3.38Å; V44-W48 PolarHBondContact O-N 3.26Å; A45-W48 VanDerWaalsContact O-CB 3.28Å; A45-W48 WeakPolarHBondContact O-CB 3.15Å; A45-W48 PolarHBondContact O-N 3.37Å; D46-W48 VanDerWaalsContact C-N 3.3Å; W48-L59 HydrophobicContact CH2-CD2 4.23Å; W48-L59 HydrophobicContact CZ2-CD2 3.24Å; W48-L59 HydrophobicContact CZ2-CG 3.89Å; W48-K60 HydrophobicContact CB-CB 4.21Å; W48-K60 HydrophobicContact CB-CD 4.49Å; W48-K60 HydrophobicContact CB-CG 4.43Å; W48-I63 HydrophobicContact CD2-CD1 3.52Å; W48-I63 HydrophobicContact CE3-CD1 3.38Å; W48-I63 HydrophobicContact CG-CD1 4.07Å; W48-I63 HydrophobicContact CH2-CD1 4.18Å; W48-I63 HydrophobicContact CZ2-CD1 4.35Å; W48-I63 HydrophobicContact CZ3-CD1 3.71Å; W48-L90 HydrophobicContact CH2-CD2 4.09Å; W48-L90 HydrophobicContact CZ3-CB 4.21Å; W48-L90 HydrophobicContact CZ3-CD2 4.27Å; W48-L90 WeakPolarHBondContact CZ3-O 3.41Å; W48-I93 HydrophobicContact CH2-CB 3.86Å; W48-I93 HydrophobicContact CH2-CG2 3.52Å; W48-I93 HydrophobicContact CZ2-CG2 3.7Å; W48-L94 HydrophobicContact CD2-CD1 4.32Å; W48-L94 HydrophobicContact CE3-CB 4.1Å; W48-L94 HydrophobicContact CE3-CD1 3.92Å; W48-L94 HydrophobicContact CE3-CG 4.42Å; W48-L94 HydrophobicContact CH2-CB 4.47Å; W48-L94 HydrophobicContact CZ3-CB 3.78Å; W48-L94 HydrophobicContact CZ3-CD1 4.42Å
49	P	71.8	Confident	74.1	Confident	32 Å²	32	66.1 Å²	66.1	21%	0.208	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-60.7	148.8	177.6	29	-40.1	0	0	0	111.2	D51 H97	P49-D51 PolarHBondContact O-N 2.92Å; P49-H97 WeakPolarHBondContact CB-NE2 3.43Å; P49-H97 VanDerWaalsContact CG-CD2 3.48Å; P49-H97 WeakPolarHBondContact CG-CD2 3.38Å; P49-H97 WeakPolarHBondContact CG-NE2 3.39Å
50	S	71.5	Confident	74	Confident	114 Å²	114	66 Å²	66	80%	0.797	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-65.3	129	172.5	-62.2	0	0	0	0	110.1	A52	S50-A52 PolarHBondContact O-N 3.31Å
51	D	64.2	Low	73.8	Confident	51 Å²	51	67.9 Å²	67.9	27%	0.273	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-65.2	116.3	175.6	-89.7	-39.7	0	0	0	110.6	P49 C53 T58 L59	P49-D51 PolarHBondContact O-N 2.92Å; D51-C53 PolarHBondContact O-N 3.22Å; D51-T58 HydrophobicContact CB-CG2 3.77Å; D51-T58 WeakPolarHBondContact OD2-CA 3.07Å; D51-T58 WeakPolarHBondContact OD2-CB 3.34Å; D51-L59 PolarHBondContact OD2-N 3.41Å
52	A	59.4	Low	73.7	Confident	106 Å²	106	68.7 Å²	68.7	88%	0.876	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-7.8	178	0	0	0	0	0	113.8	S50 G54	S50-A52 PolarHBondContact O-N 3.31Å; A52-G54 VanDerWaalsContact C-N 3.32Å; A52-G54 PolarHBondContact O-N 2.99Å
53	C	56.9	Low	73.6	Confident	49 Å²	49	66.2 Å²	66.2	33%	0.331	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	12.2	-165.2	52.5	0	0	0	0	115.1	D51 R55	D51-C53 PolarHBondContact O-N 3.22Å; C53-R55 HydrophobicContact CB-CG 4.14Å; C53-R55 PolarHBondContact O-N 3.38Å; C53-R55 WeakPolarHBondContact SG-CD 3.28Å; C53-R55 VanDerWaalsContact SG-CG 3.52Å; C53-R55 PolarHBondContact SG-NE 2.99Å
54	G	56.7	Low	73.5	Confident	78 Å²	78	64.5 Å²	64.5	80%	0.804	36%	0.361	S	S	*	.			trans	57.4	20.1	174.3	0	0	0	0	0	114.7	A52	A52-G54 VanDerWaalsContact C-N 3.32Å; A52-G54 PolarHBondContact O-N 2.99Å
55	R	62.3	Low	73.6	Confident	89 Å²	89	69 Å²	69	34%	0.336	38%	0.378	S	S	.	.			trans	-74.8	154.6	-177.6	-64.2	178.8	-160.8	160.9	11	110.4	C53 V57	C53-R55 HydrophobicContact CB-CG 4.14Å; C53-R55 PolarHBondContact O-N 3.38Å; C53-R55 WeakPolarHBondContact SG-CD 3.28Å; C53-R55 VanDerWaalsContact SG-CG 3.52Å; C53-R55 PolarHBondContact SG-NE 2.99Å; R55-V57 VanDerWaalsContact C-N 3.34Å
56	K	68.9	Low	73.5	Confident	212 Å²	212	70.8 Å²	70.8	92%	0.922	39%	0.385	S	S	*	.	S	Bend	trans	-68.6	-32	173.5	-69.5	-174.3	178.6	-178.8	0	113.4
57	V	68	Low	73.5	Confident	76 Å²	76	66.7 Å²	66.7	46%	0.461	36%	0.363	S	S	.	.	S	Bend	trans	-125.5	123.3	178.9	-178.5	0	0	0	0	107.6	R55 D61	R55-V57 VanDerWaalsContact C-N 3.34Å; V57-D61 HydrophobicContact CG1-CB 4.08Å
58	T	73.9	Confident	73.5	Confident	30 Å²	30	64.3 Å²	64.3	18%	0.184	36%	0.363	C	S	.	.			trans	-95.5	162.2	178.4	67.5	0	0	0	0	110.7	D51 K60 D61 E62	D51-T58 HydrophobicContact CB-CG2 3.77Å; D51-T58 WeakPolarHBondContact OD2-CA 3.07Å; D51-T58 WeakPolarHBondContact OD2-CB 3.34Å; T58-K60 PolarHBondContact O-N 3.5Å; T58-D61 WeakPolarHBondContact CB-OD2 3.44Å; T58-D61 PolarHBondContact N-OD2 3.43Å; T58-D61 WeakPolarHBondContact O-CB 3.46Å; T58-D61 PolarHBondContact O-N 3.26Å; T58-D61 VanDerWaalsContact O-N 3.08Å; T58-D61 PolarHBondContact OG1-N 2.81Å; T58-D61 VanDerWaalsContact OG1-N 3.1Å; T58-D61 PolarHBondContact OG1-OD2 2.98Å; T58-E62 PolarHBondContact O-N 3.06Å
59	L	73.3	Confident	73.5	Confident	65 Å²	65	66.4 Å²	66.4	34%	0.34	37%	0.374	S	S	.	.	H	α-helix	trans	-61.8	-34	172.9	-174.8	53.1	0	0	0	110.9	W48 D51 D61 E62 I63	W48-L59 HydrophobicContact CH2-CD2 4.23Å; W48-L59 HydrophobicContact CZ2-CD2 3.24Å; W48-L59 HydrophobicContact CZ2-CG 3.89Å; D51-L59 PolarHBondContact OD2-N 3.41Å; L59-D61 VanDerWaalsContact C-N 3.34Å; L59-D61 PolarHBondContact O-N 2.94Å; L59-E62 PolarHBondContact O-N 2.98Å; L59-I63 HydrophobicContact CG-CD1 4.22Å; L59-I63 VanDerWaalsContact O-CG1 3.25Å; L59-I63 WeakPolarHBondContact O-CG1 3.47Å; L59-I63 PolarHBondContact O-N 3.04Å
60	K	79.8	Confident	73.8	Confident	49 Å²	49	64.9 Å²	64.9	21%	0.213	36%	0.364	C	S	.	.	H	α-helix	trans	-57.5	-44.7	170.5	179.7	166.5	-174.9	150	0	112.2	A45 D46 W48 T58 E62 I63 K64	A45-K60 WeakPolarHBondContact O-CD 3.44Å; A45-K60 WeakPolarHBondContact O-CE 3.28Å; A45-K60 WeakPolarHBondContact O-CG 3.35Å; A45-K60 PolarHBondContact O-NZ 3.07Å; D46-K60 PolarHBondContact O-NZ 2.9Å; W48-K60 HydrophobicContact CB-CB 4.21Å; W48-K60 HydrophobicContact CB-CD 4.49Å; W48-K60 HydrophobicContact CB-CG 4.43Å; T58-K60 PolarHBondContact O-N 3.5Å; K60-E62 VanDerWaalsContact C-N 3.32Å; K60-E62 PolarHBondContact O-N 3.17Å; K60-I63 PolarHBondContact O-N 3.29Å; K60-K64 WeakPolarHBondContact O-CG 3.42Å; K60-K64 PolarHBondContact O-N 3.29Å; K60-K64 VanDerWaalsContact O-N 3.09Å
61	D	80.7	Confident	74.2	Confident	73 Å²	73	64 Å²	64	39%	0.39	35%	0.349	S	S	.	.	H	α-helix	trans	-64.5	-39.2	177	-58.6	-42.9	0	0	0	111.5	V57 T58 L59 K64 R65	V57-D61 HydrophobicContact CG1-CB 4.08Å; T58-D61 WeakPolarHBondContact CB-OD2 3.44Å; T58-D61 PolarHBondContact N-OD2 3.43Å; T58-D61 WeakPolarHBondContact O-CB 3.46Å; T58-D61 PolarHBondContact O-N 3.26Å; T58-D61 VanDerWaalsContact O-N 3.08Å; T58-D61 PolarHBondContact OG1-N 2.81Å; T58-D61 VanDerWaalsContact OG1-N 3.1Å; T58-D61 PolarHBondContact OG1-OD2 2.98Å; L59-D61 VanDerWaalsContact C-N 3.34Å; L59-D61 PolarHBondContact O-N 2.94Å; D61-K64 PolarHBondContact O-N 3.39Å; D61-R65 WeakPolarHBondContact O-CB 3.46Å; D61-R65 PolarHBondContact O-N 3.19Å
62	E	80.3	Confident	74.9	Confident	20 Å²	20	65.9 Å²	65.9	9%	0.093	37%	0.366	C	S	.	.	H	α-helix	trans	-66.3	-42.1	178.3	-173.6	57.1	-149.4	0	0	112.1	T58 L59 K60 K64 R65 R66 R137	T58-E62 PolarHBondContact O-N 3.06Å; L59-E62 PolarHBondContact O-N 2.98Å; K60-E62 VanDerWaalsContact C-N 3.32Å; K60-E62 PolarHBondContact O-N 3.17Å; E62-K64 VanDerWaalsContact C-N 3.33Å; E62-K64 PolarHBondContact O-N 3.47Å; E62-R65 WeakPolarHBondContact O-CB 3.38Å; E62-R65 PolarHBondContact O-N 3.25Å; E62-R65 IonicContact OE1-CZ 2.81Å; E62-R65 VanDerWaalsContact OE1-CZ 3.28Å; E62-R65 IonicContact OE1-NE 2.82Å; E62-R65 PolarHBondContact OE1-NE 3.46Å; E62-R65 IonicContact OE1-NH2 3.6Å; E62-R65 PolarHBondContact OE1-NH2 2.86Å; E62-R65 IonicContact OE2-NE 3.49Å; E62-R65 PolarHBondContact OE2-NE 3.23Å; E62-R66 WeakPolarHBondContact O-CG 3.47Å; E62-R66 PolarHBondContact O-N 2.94Å; E62-R66 IonicContact OE1-NE 3.17Å; E62-R66 PolarHBondContact OE1-NE 3.39Å; E62-R137 IonicContact OE1-NH2 2.98Å; E62-R137 IonicContact OE2-CZ 2.73Å; E62-R137 VanDerWaalsContact OE2-CZ 3.28Å; E62-R137 IonicContact OE2-NH1 3.58Å; E62-R137 PolarHBondContact OE2-NH1 2.83Å; E62-R137 IonicContact OE2-NH2 3.33Å; E62-R137 PolarHBondContact OE2-NH2 2.88Å
63	I	82.5	Confident	75.6	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-62	-43.6	175.6	-61.2	160.5	0	0	0	110	L41 V44 A45 W48 L59 K60 R65 R66 G67 L90	L41-I63 HydrophobicContact CB-CG2 4.46Å; L41-I63 HydrophobicContact CD2-CG2 4.45Å; L41-I63 WeakPolarHBondContact O-CG2 3.21Å; V44-I63 HydrophobicContact CG1-CD1 4.41Å; A45-I63 HydrophobicContact CB-CB 4.05Å; A45-I63 HydrophobicContact CB-CG2 3.74Å; W48-I63 HydrophobicContact CD2-CD1 3.52Å; W48-I63 HydrophobicContact CE3-CD1 3.38Å; W48-I63 HydrophobicContact CG-CD1 4.07Å; W48-I63 HydrophobicContact CH2-CD1 4.18Å; W48-I63 HydrophobicContact CZ2-CD1 4.35Å; W48-I63 HydrophobicContact CZ3-CD1 3.71Å; L59-I63 HydrophobicContact CG-CD1 4.22Å; L59-I63 VanDerWaalsContact O-CG1 3.25Å; L59-I63 WeakPolarHBondContact O-CG1 3.47Å; L59-I63 PolarHBondContact O-N 3.04Å; K60-I63 PolarHBondContact O-N 3.29Å; I63-R65 VanDerWaalsContact C-N 3.35Å; I63-R65 PolarHBondContact O-N 3.46Å; I63-R66 PolarHBondContact O-N 2.88Å; I63-G67 PolarHBondContact O-N 3.18Å; I63-L90 HydrophobicContact CD1-CD2 4.2Å; I63-L90 HydrophobicContact CG1-CD1 4.1Å; I63-L90 HydrophobicContact CG1-CD2 4.15Å; I63-L90 HydrophobicContact CG2-CD1 4.17Å
64	K	83.6	Confident	76.4	Confident	70 Å²	70	64.5 Å²	64.5	30%	0.304	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-40.9	175.4	-72	-176.5	178.1	-164.4	0	112.4	A45 D46 K60 D61 E62 G67 T68	A45-K64 HydrophobicContact CB-CG 3.75Å; D46-K64 IonicContact OD1-NZ 3.98Å; K60-K64 WeakPolarHBondContact O-CG 3.42Å; K60-K64 PolarHBondContact O-N 3.29Å; K60-K64 VanDerWaalsContact O-N 3.09Å; D61-K64 PolarHBondContact O-N 3.39Å; E62-K64 VanDerWaalsContact C-N 3.33Å; E62-K64 PolarHBondContact O-N 3.47Å; K64-G67 PolarHBondContact O-N 2.87Å; K64-T68 PolarHBondContact O-N 3.29Å; K64-T68 PolarHBondContact O-OG1 3.28Å
65	R	84.9	Confident	77.3	Confident	100 Å²	100	65.5 Å²	65.5	38%	0.377	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-45.7	175.6	-168.6	-159.3	67.8	70.5	1.1	110.8	D61 E62 I63 T68 E69	D61-R65 WeakPolarHBondContact O-CB 3.46Å; D61-R65 PolarHBondContact O-N 3.19Å; E62-R65 WeakPolarHBondContact O-CB 3.38Å; E62-R65 PolarHBondContact O-N 3.25Å; E62-R65 IonicContact OE1-CZ 2.81Å; E62-R65 VanDerWaalsContact OE1-CZ 3.28Å; E62-R65 IonicContact OE1-NE 2.82Å; E62-R65 PolarHBondContact OE1-NE 3.46Å; E62-R65 IonicContact OE1-NH2 3.6Å; E62-R65 PolarHBondContact OE1-NH2 2.86Å; E62-R65 IonicContact OE2-NE 3.49Å; E62-R65 PolarHBondContact OE2-NE 3.23Å; I63-R65 VanDerWaalsContact C-N 3.35Å; I63-R65 PolarHBondContact O-N 3.46Å; R65-T68 CarbonylContact O-C 3.59Å; R65-T68 WeakPolarHBondContact O-CB 3.32Å; R65-T68 PolarHBondContact O-N 3.36Å; R65-T68 VanDerWaalsContact O-N 3.14Å; R65-E69 IonicContact CZ-OE2 2.74Å; R65-E69 IonicContact NH1-OE2 3.85Å; R65-E69 PolarHBondContact NH1-OE2 3.44Å; R65-E69 IonicContact NH2-OE2 3.69Å; R65-E69 PolarHBondContact NH2-OE2 3.14Å; R65-E69 PolarHBondContact O-N 3.2Å
66	R	81.4	Confident	77.9	Confident	37 Å²	37	69.8 Å²	69.8	14%	0.14	35%	0.35	C	S	.	.	H	α-helix	trans	-62.5	-41.7	176.9	-73.1	-178.3	179.2	-126.2	-8.5	112.3	E62 I63 T68 E69 L70 W83 E86	E62-R66 WeakPolarHBondContact O-CG 3.47Å; E62-R66 PolarHBondContact O-N 2.94Å; E62-R66 IonicContact OE1-NE 3.17Å; E62-R66 PolarHBondContact OE1-NE 3.39Å; I63-R66 PolarHBondContact O-N 2.88Å; R66-T68 VanDerWaalsContact C-N 3.32Å; R66-T68 PolarHBondContact O-N 3.09Å; R66-E69 WeakPolarHBondContact O-CB 3.32Å; R66-E69 PolarHBondContact O-N 2.84Å; R66-L70 PolarHBondContact O-N 2.9Å; R66-W83 HydrophobicContact CB-CH2 4.26Å; R66-W83 HydrophobicContact CB-CZ3 4.19Å; R66-W83 WeakPolarHBondContact O-CH2 3.37Å; R66-E86 IonicContact CZ-OE1 3.81Å; R66-E86 IonicContact NE-OE1 3.28Å; R66-E86 IonicContact NH1-OE1 3.28Å; R66-E86 PolarHBondContact NH1-OE1 3.46Å; R66-E86 IonicContact NH1-OE2 2.63Å
67	G	83.5	Confident	78.4	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-59.5	-42.3	171.3	0	0	0	0	0	112.3	F38 I63 K64 E69 L70 I71	F38-G67 WeakPolarHBondContact CD2-O 3.32Å; I63-G67 PolarHBondContact O-N 3.18Å; K64-G67 PolarHBondContact O-N 2.87Å; G67-E69 VanDerWaalsContact C-N 3.33Å; G67-E69 PolarHBondContact O-N 3.46Å; G67-L70 WeakPolarHBondContact O-CB 3.39Å; G67-L70 PolarHBondContact O-N 2.81Å; G67-I71 PolarHBondContact O-N 3.49Å
68	T	81.7	Confident	78.8	Confident	81 Å²	81	63.2 Å²	63.2	50%	0.497	32%	0.318	S	S	.	.	H	α-helix	trans	-65.4	-37	176	-52.9	0	0	0	0	111.9	K64 R65 R66 I71 S72	K64-T68 PolarHBondContact O-N 3.29Å; K64-T68 PolarHBondContact O-OG1 3.28Å; R65-T68 CarbonylContact O-C 3.59Å; R65-T68 WeakPolarHBondContact O-CB 3.32Å; R65-T68 PolarHBondContact O-N 3.36Å; R65-T68 VanDerWaalsContact O-N 3.14Å; R66-T68 VanDerWaalsContact C-N 3.32Å; R66-T68 PolarHBondContact O-N 3.09Å; T68-I71 WeakPolarHBondContact O-CG1 3.49Å; T68-I71 PolarHBondContact O-N 3.06Å; T68-S72 PolarHBondContact O-N 2.94Å
69	E	79	Confident	79.2	Confident	60 Å²	60	66.2 Å²	66.2	28%	0.28	33%	0.333	S	S	.	.	H	α-helix	trans	-64.9	-44	175.5	-167.8	-170.8	140.4	0	0	111.3	R65 R66 G67 I71 S72 K73	R65-E69 IonicContact CZ-OE2 2.74Å; R65-E69 IonicContact NH1-OE2 3.85Å; R65-E69 PolarHBondContact NH1-OE2 3.44Å; R65-E69 IonicContact NH2-OE2 3.69Å; R65-E69 PolarHBondContact NH2-OE2 3.14Å; R65-E69 PolarHBondContact O-N 3.2Å; R66-E69 WeakPolarHBondContact O-CB 3.32Å; R66-E69 PolarHBondContact O-N 2.84Å; G67-E69 VanDerWaalsContact C-N 3.33Å; G67-E69 PolarHBondContact O-N 3.46Å; E69-I71 VanDerWaalsContact C-N 3.35Å; E69-I71 PolarHBondContact O-N 3.44Å; E69-S72 PolarHBondContact O-N 2.9Å; E69-S72 VanDerWaalsContact O-N 3.07Å; E69-S72 PolarHBondContact O-OG 3.35Å; E69-K73 PolarHBondContact O-N 2.82Å; E69-K73 WeakPolarHBondContact OE1-CE 3.21Å; E69-K73 IonicContact OE1-NZ 3.56Å; E69-K73 PolarHBondContact OE1-NZ 3.44Å
70	L	77.7	Confident	79.7	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-55.4	-46.8	175.8	168.4	64.9	0	0	0	112.1	F38 L41 R66 G67 S72 K73 I78 W83	F38-L70 HydrophobicContact CB-CD2 4.04Å; L41-L70 HydrophobicContact CD1-CD2 4.29Å; R66-L70 PolarHBondContact O-N 2.9Å; G67-L70 WeakPolarHBondContact O-CB 3.39Å; G67-L70 PolarHBondContact O-N 2.81Å; L70-S72 PolarHBondContact O-N 2.97Å; L70-K73 PolarHBondContact O-N 2.85Å; L70-I78 HydrophobicContact CD1-CB 4.44Å; L70-I78 HydrophobicContact CD1-CD1 3.78Å; L70-I78 HydrophobicContact CD1-CG1 3.99Å; L70-I78 HydrophobicContact CD1-CG2 3.6Å; L70-W83 HydrophobicContact CB-CH2 4Å; L70-W83 HydrophobicContact CB-CZ2 3.76Å; L70-W83 HydrophobicContact CB-CZ3 4.5Å; L70-W83 HydrophobicContact CD1-CD2 4.04Å; L70-W83 HydrophobicContact CD1-CG 4.05Å; L70-W83 HydrophobicContact CD1-CZ2 4.19Å; L70-W83 HydrophobicContact CD2-CD2 4.37Å; L70-W83 HydrophobicContact CG-CZ2 4.5Å
71	I	80.7	Confident	79.7	Confident	96 Å²	96	70.5 Å²	70.5	49%	0.492	35%	0.354	S	S	.	.	H	α-helix	trans	-72.8	-17.6	179.7	62.7	171.5	0	0	0	113.3	F38 G67 T68 E69	F38-I71 HydrophobicContact CB-CG2 3.84Å; F38-I71 HydrophobicContact CD1-CG2 4.18Å; F38-I71 HydrophobicContact CD2-CG2 3.4Å; F38-I71 HydrophobicContact CE2-CD1 4.21Å; F38-I71 HydrophobicContact CE2-CG2 3.94Å; F38-I71 HydrophobicContact CG-CG2 3.51Å; F38-I71 HydrophobicContact CZ-CD1 4.49Å; G67-I71 PolarHBondContact O-N 3.49Å; T68-I71 WeakPolarHBondContact O-CG1 3.49Å; T68-I71 PolarHBondContact O-N 3.06Å; E69-I71 VanDerWaalsContact C-N 3.35Å; E69-I71 PolarHBondContact O-N 3.44Å
72	S	76.9	Confident	79.9	Confident	89 Å²	89	70.2 Å²	70.2	62%	0.622	35%	0.35	S	S	*	.	H	α-helix	trans	-81.4	-19.1	175.9	75.3	0	0	0	0	113	T68 E69 L70	T68-S72 PolarHBondContact O-N 2.94Å; E69-S72 PolarHBondContact O-N 2.9Å; E69-S72 VanDerWaalsContact O-N 3.07Å; E69-S72 PolarHBondContact O-OG 3.35Å; L70-S72 PolarHBondContact O-N 2.97Å
73	K	74.5	Confident	80	Confident	70 Å²	70	69.7 Å²	69.7	30%	0.304	35%	0.347	S	S	.	.	S	Bend	trans	-79.3	139.9	179.5	-72.1	178.8	-177.1	172.1	0	110.9	E69 L70 I78	E69-K73 PolarHBondContact O-N 2.82Å; E69-K73 WeakPolarHBondContact OE1-CE 3.21Å; E69-K73 IonicContact OE1-NZ 3.56Å; E69-K73 PolarHBondContact OE1-NZ 3.44Å; L70-K73 PolarHBondContact O-N 2.85Å; K73-I78 HydrophobicContact CB-CD1 4.46Å; K73-I78 HydrophobicContact CB-CG1 3.96Å
74	P	75	Confident	80	Confident	57 Å²	57	72.2 Å²	72.2	37%	0.37	36%	0.358	S	S	.	.			trans	-56.2	144.2	167.5	-22.5	33.2	0	0	0	111	Q76 E77	P74-Q76 PolarHBondContact O-N 2.86Å; P74-E77 HydrophobicContact CB-CG 4.34Å; P74-E77 WeakPolarHBondContact CD-OE2 3.34Å; P74-E77 HydrophobicContact CG-CG 4.35Å; P74-E77 PolarHBondContact O-N 2.87Å
75	I	74.2	Confident	79.8	Confident	99 Å²	99	73.6 Å²	73.6	51%	0.508	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-54.2	-33.7	-177.5	-64.9	164.1	0	0	0	112.1	L32 P34 E77 I78	L32-I75 HydrophobicContact CD1-CD1 4.34Å; L32-I75 HydrophobicContact CD2-CD1 3.77Å; L32-I75 HydrophobicContact CD2-CG2 4.4Å; P34-I75 HydrophobicContact CG-CG1 4.29Å; P34-I75 HydrophobicContact CG-CG2 4.3Å; I75-E77 VanDerWaalsContact C-N 3.28Å; I75-E77 PolarHBondContact O-N 3.28Å; I75-I78 PolarHBondContact O-N 3.48Å
76	Q	75.4	Confident	79.7	Confident	179 Å²	179	69 Å²	69	84%	0.836	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-71.8	-19.6	179.3	-57.3	105.2	0.2	0	0	114.1	P74	P74-Q76 PolarHBondContact O-N 2.86Å
77	E	78.8	Confident	79.8	Confident	134 Å²	134	69.5 Å²	69.5	63%	0.626	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-94.6	-3.3	179.9	-65	179.6	-163.2	0	0	112.4	P74 I75 D79	P74-E77 HydrophobicContact CB-CG 4.34Å; P74-E77 WeakPolarHBondContact CD-OE2 3.34Å; P74-E77 HydrophobicContact CG-CG 4.35Å; P74-E77 PolarHBondContact O-N 2.87Å; I75-E77 VanDerWaalsContact C-N 3.28Å; I75-E77 PolarHBondContact O-N 3.28Å; E77-D79 PolarHBondContact O-N 3.45Å
78	I	77.9	Confident	79.6	Confident	15 Å²	15	74.2 Å²	74.2	8%	0.077	37%	0.373	C	S	.	.			trans	-81.8	105.7	-177.9	-66.1	175.6	0	0	0	109	P34 L70 K73 I75 T80	P34-I78 HydrophobicContact CB-CD1 3.51Å; P34-I78 HydrophobicContact CG-CB 4.42Å; P34-I78 HydrophobicContact CG-CD1 3.37Å; P34-I78 HydrophobicContact CG-CG1 4.45Å; P34-I78 HydrophobicContact CG-CG2 4.26Å; L70-I78 HydrophobicContact CD1-CB 4.44Å; L70-I78 HydrophobicContact CD1-CD1 3.78Å; L70-I78 HydrophobicContact CD1-CG1 3.99Å; L70-I78 HydrophobicContact CD1-CG2 3.6Å; K73-I78 HydrophobicContact CB-CD1 4.46Å; K73-I78 HydrophobicContact CB-CG1 3.96Å; I75-I78 PolarHBondContact O-N 3.48Å; I78-T80 HydrophobicContact CG2-CG2 4.47Å; I78-T80 PolarHBondContact O-N 2.96Å
79	D	82.5	Confident	79.5	Confident	94 Å²	94	70.7 Å²	70.7	50%	0.503	35%	0.352	S	S	.	.			trans	-72	94	168.6	-175.3	-15.2	0	0	0	110	E77 K81 F82 W83	E77-D79 PolarHBondContact O-N 3.45Å; D79-K81 PolarHBondContact O-N 3.45Å; D79-K81 WeakPolarHBondContact OD1-CB 3.34Å; D79-K81 PolarHBondContact OD1-N 3.4Å; D79-F82 HydrophobicContact CB-CB 3.93Å; D79-F82 PolarHBondContact O-N 3.26Å; D79-F82 PolarHBondContact OD1-N 3.48Å; D79-W83 PolarHBondContact O-N 3.35Å
80	T	81.8	Confident	79.6	Confident	63 Å²	63	68.1 Å²	68.1	39%	0.387	34%	0.34	S	S	.	.	H	α-helix	trans	-60.4	-30.9	-179.6	54.8	0	0	0	0	112.7	P33 Y37 I78 W83 E84	P33-T80 HydrophobicContact CB-CG2 3.97Å; Y37-T80 HydrophobicContact CE2-CG2 4.01Å; I78-T80 HydrophobicContact CG2-CG2 4.47Å; I78-T80 PolarHBondContact O-N 2.96Å; T80-W83 PolarHBondContact O-N 3.13Å; T80-E84 WeakPolarHBondContact O-CB 3.32Å; T80-E84 PolarHBondContact O-N 2.92Å
81	K	80.9	Confident	79.7	Confident	141 Å²	141	68.8 Å²	68.8	61%	0.613	35%	0.345	S	S	*	.	H	α-helix	trans	-69.8	-46	-179.8	-177.8	-178.5	171.5	-173.9	0	110.1	D79 W83 E84 E85	D79-K81 PolarHBondContact O-N 3.45Å; D79-K81 WeakPolarHBondContact OD1-CB 3.34Å; D79-K81 PolarHBondContact OD1-N 3.4Å; K81-W83 VanDerWaalsContact C-N 3.32Å; K81-W83 PolarHBondContact O-N 3.43Å; K81-E84 PolarHBondContact O-N 3.31Å; K81-E85 WeakPolarHBondContact CE-OE1 3.46Å; K81-E85 IonicContact NZ-OE1 3.48Å; K81-E85 WeakPolarHBondContact O-CG 3.42Å; K81-E85 PolarHBondContact O-N 2.91Å
82	F	83.8	Confident	79.4	Confident	66 Å²	66	68.5 Å²	68.5	29%	0.289	34%	0.337	S	S	.	.	H	α-helix	trans	-56.3	-46.4	174.3	172.7	-93.4	0	0	0	111.8	D79 E85 E86	D79-F82 HydrophobicContact CB-CB 3.93Å; D79-F82 PolarHBondContact O-N 3.26Å; D79-F82 PolarHBondContact OD1-N 3.48Å; F82-E85 PolarHBondContact O-N 3.17Å; F82-E86 WeakPolarHBondContact O-CB 3.41Å; F82-E86 PolarHBondContact O-N 2.86Å
83	W	83.2	Confident	79.2	Confident	9 Å²	9	66 Å²	66	3%	0.034	32%	0.316	C	S	.	.	H	α-helix	trans	-72.2	-31.4	-177.2	-69.7	112.4	0	0	0	114	Y37 L41 R66 L70 D79 T80 K81 E86 Y87	Y37-W83 HydrophobicContact CD1-CB 4.06Å; Y37-W83 HydrophobicContact CD2-CB 4.24Å; Y37-W83 HydrophobicContact CG-CB 3.91Å; L41-W83 HydrophobicContact CD1-CE3 3.71Å; L41-W83 HydrophobicContact CD1-CZ3 3.64Å; R66-W83 HydrophobicContact CB-CH2 4.26Å; R66-W83 HydrophobicContact CB-CZ3 4.19Å; R66-W83 WeakPolarHBondContact O-CH2 3.37Å; L70-W83 HydrophobicContact CB-CH2 4Å; L70-W83 HydrophobicContact CB-CZ2 3.76Å; L70-W83 HydrophobicContact CB-CZ3 4.5Å; L70-W83 HydrophobicContact CD1-CD2 4.04Å; L70-W83 HydrophobicContact CD1-CG 4.05Å; L70-W83 HydrophobicContact CD1-CZ2 4.19Å; L70-W83 HydrophobicContact CD2-CD2 4.37Å; L70-W83 HydrophobicContact CG-CZ2 4.5Å; D79-W83 PolarHBondContact O-N 3.35Å; T80-W83 PolarHBondContact O-N 3.13Å; K81-W83 VanDerWaalsContact C-N 3.32Å; K81-W83 PolarHBondContact O-N 3.43Å; W83-E86 HydrophobicContact CE3-CB 4.46Å; W83-E86 HydrophobicContact CE3-CG 4.45Å; W83-Y87 WeakPolarHBondContact O-CB 3.44Å; W83-Y87 PolarHBondContact O-N 2.89Å
84	E	82.6	Confident	79.2	Confident	55 Å²	55	62.7 Å²	62.7	26%	0.257	30%	0.302	S	S	.	.	H	α-helix	trans	-64.9	-48.7	169.5	-176.4	64.3	-135.8	0	0	110.7	Y37 K40 T80 K81 E86 Y87 Q88	Y37-E84 HydrophobicContact CE1-CB 3.79Å; Y37-E84 WeakPolarHBondContact CE1-OE2 3.18Å; Y37-E84 PolarHBondContact OH-OE2 3.05Å; K40-E84 IonicContact NZ-OE2 3.46Å; K40-E84 PolarHBondContact NZ-OE2 3.26Å; T80-E84 WeakPolarHBondContact O-CB 3.32Å; T80-E84 PolarHBondContact O-N 2.92Å; K81-E84 PolarHBondContact O-N 3.31Å; E84-E86 VanDerWaalsContact C-N 3.34Å; E84-E86 PolarHBondContact O-N 3.09Å; E84-Y87 PolarHBondContact O-N 3.5Å; E84-Q88 VanDerWaalsContact O-CG 3.28Å; E84-Q88 WeakPolarHBondContact O-CG 3.18Å; E84-Q88 PolarHBondContact O-N 2.74Å; E84-Q88 PolarHBondContact OE1-NE2 3.33Å
85	E	80	Confident	79	Confident	100 Å²	100	63.8 Å²	63.8	47%	0.467	31%	0.305	S	S	.	.	H	α-helix	trans	-58.6	-46.3	177.3	-73.1	175.7	-173.8	0	0	111.3	K81 F82 Y87 Q88 S89	K81-E85 WeakPolarHBondContact CE-OE1 3.46Å; K81-E85 IonicContact NZ-OE1 3.48Å; K81-E85 WeakPolarHBondContact O-CG 3.42Å; K81-E85 PolarHBondContact O-N 2.91Å; F82-E85 PolarHBondContact O-N 3.17Å; E85-Y87 PolarHBondContact O-N 3.05Å; E85-Q88 PolarHBondContact O-N 2.73Å; E85-S89 PolarHBondContact O-N 2.98Å; E85-S89 PolarHBondContact O-OG 2.82Å; E85-S89 VanDerWaalsContact O-OG 3.09Å
86	E	81.9	Confident	78.4	Confident	3 Å²	3	60.1 Å²	60.1	1%	0.014	29%	0.286	C	S	.	.	H	α-helix	trans	-59.2	-46.5	176.9	-174.3	75.5	172.2	0	0	111.9	R66 F82 W83 E84 Q88 S89 L90 R132	R66-E86 IonicContact CZ-OE1 3.81Å; R66-E86 IonicContact NE-OE1 3.28Å; R66-E86 IonicContact NH1-OE1 3.28Å; R66-E86 PolarHBondContact NH1-OE1 3.46Å; R66-E86 IonicContact NH1-OE2 2.63Å; F82-E86 WeakPolarHBondContact O-CB 3.41Å; F82-E86 PolarHBondContact O-N 2.86Å; W83-E86 HydrophobicContact CE3-CB 4.46Å; W83-E86 HydrophobicContact CE3-CG 4.45Å; E84-E86 VanDerWaalsContact C-N 3.34Å; E84-E86 PolarHBondContact O-N 3.09Å; E86-Q88 PolarHBondContact O-N 3.26Å; E86-S89 PolarHBondContact O-N 3.1Å; E86-L90 HydrophobicContact CG-CD1 4.12Å; E86-L90 WeakPolarHBondContact O-CB 3.4Å; E86-L90 WeakPolarHBondContact O-CG 3.2Å; E86-L90 PolarHBondContact O-N 3.08Å; E86-R132 IonicContact OE2-NH2 2.83Å; E86-R132 PolarHBondContact OE2-NH2 3.45Å; E86-R132 VanDerWaalsContact OE2-NH2 3.17Å
87	Y	83.3	Confident	77.8	Confident	47 Å²	47	55.6 Å²	55.6	18%	0.184	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-43.4	177.1	167.9	-108	0	0	0	112.2	K40 V44 W83 E84 E85 L90 S91	K40-Y87 HydrophobicContact CB-CD2 3.53Å; K40-Y87 HydrophobicContact CB-CE2 3.54Å; K40-Y87 HydrophobicContact CB-CG 4.05Å; K40-Y87 HydrophobicContact CD-CD1 3.83Å; K40-Y87 HydrophobicContact CD-CD2 4.28Å; K40-Y87 HydrophobicContact CD-CE1 3.82Å; K40-Y87 HydrophobicContact CD-CE2 4.24Å; K40-Y87 HydrophobicContact CD-CG 4.04Å; K40-Y87 HydrophobicContact CG-CD2 4.19Å; K40-Y87 HydrophobicContact CG-CE1 4.26Å; K40-Y87 HydrophobicContact CG-CE2 3.88Å; K40-Y87 HydrophobicContact CG-CG 4.46Å; V44-Y87 HydrophobicContact CG2-CD2 3.93Å; V44-Y87 HydrophobicContact CG2-CE2 3.65Å; W83-Y87 WeakPolarHBondContact O-CB 3.44Å; W83-Y87 PolarHBondContact O-N 2.89Å; E84-Y87 PolarHBondContact O-N 3.5Å; E85-Y87 PolarHBondContact O-N 3.05Å; Y87-L90 PolarHBondContact O-N 3.21Å; Y87-S91 WeakPolarHBondContact CE2-OG 3.25Å; Y87-S91 WeakPolarHBondContact O-CB 3.5Å; Y87-S91 PolarHBondContact O-N 3.26Å; Y87-S91 PolarHBondContact O-OG 3.44Å
88	Q	80.8	Confident	76.6	Confident	101 Å²	101	53.3 Å²	53.3	47%	0.472	25%	0.251	S	S	.	.	H	α-helix	trans	-64.3	-44	178.4	-68.1	-64.2	-21.8	0	0	111.2	E84 E85 E86 S91 R92	E84-Q88 VanDerWaalsContact O-CG 3.28Å; E84-Q88 WeakPolarHBondContact O-CG 3.18Å; E84-Q88 PolarHBondContact O-N 2.74Å; E84-Q88 PolarHBondContact OE1-NE2 3.33Å; E85-Q88 PolarHBondContact O-N 2.73Å; E86-Q88 PolarHBondContact O-N 3.26Å; Q88-S91 PolarHBondContact O-N 3.44Å; Q88-R92 WeakPolarHBondContact O-CB 3.05Å; Q88-R92 PolarHBondContact O-N 2.74Å
89	S	78	Confident	75.2	Confident	7 Å²	7	60.6 Å²	60.6	5%	0.049	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-48.5	176.4	-60.1	0	0	0	0	111.3	E85 E86 R92 I93 E129	E85-S89 PolarHBondContact O-N 2.98Å; E85-S89 PolarHBondContact O-OG 2.82Å; E85-S89 VanDerWaalsContact O-OG 3.09Å; E86-S89 PolarHBondContact O-N 3.1Å; S89-R92 PolarHBondContact O-N 3.45Å; S89-I93 VanDerWaalsContact O-CG1 3.31Å; S89-I93 WeakPolarHBondContact O-CG1 2.89Å; S89-I93 PolarHBondContact O-N 3.24Å; S89-E129 VanDerWaalsContact OG-CD 3.32Å; S89-E129 PolarHBondContact OG-OE1 2.94Å
90	L	81.1	Confident	73.5	Confident	6 Å²	6	60.5 Å²	60.5	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-41.2	179.1	-67.8	172.1	0	0	0	112.3	L41 V44 W48 I63 E86 Y87 R92 I93 L94	L41-L90 HydrophobicContact CD2-CD1 3.65Å; V44-L90 HydrophobicContact CG1-CB 3.88Å; W48-L90 HydrophobicContact CH2-CD2 4.09Å; W48-L90 HydrophobicContact CZ3-CB 4.21Å; W48-L90 HydrophobicContact CZ3-CD2 4.27Å; W48-L90 WeakPolarHBondContact CZ3-O 3.41Å; I63-L90 HydrophobicContact CD1-CD2 4.2Å; I63-L90 HydrophobicContact CG1-CD1 4.1Å; I63-L90 HydrophobicContact CG1-CD2 4.15Å; I63-L90 HydrophobicContact CG2-CD1 4.17Å; E86-L90 HydrophobicContact CG-CD1 4.12Å; E86-L90 WeakPolarHBondContact O-CB 3.4Å; E86-L90 WeakPolarHBondContact O-CG 3.2Å; E86-L90 PolarHBondContact O-N 3.08Å; Y87-L90 PolarHBondContact O-N 3.21Å; L90-R92 VanDerWaalsContact C-N 3.31Å; L90-R92 PolarHBondContact O-N 3.48Å; L90-I93 PolarHBondContact O-N 3.16Å; L90-L94 WeakPolarHBondContact O-CB 3.37Å; L90-L94 PolarHBondContact O-N 3.28Å
91	S	81.1	Confident	71.6	Confident	14 Å²	14	63.1 Å²	63.1	10%	0.098	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-39.4	176.2	-66.9	0	0	0	0	111.8	Y87 Q88 L94 N95	Y87-S91 WeakPolarHBondContact CE2-OG 3.25Å; Y87-S91 WeakPolarHBondContact O-CB 3.5Å; Y87-S91 PolarHBondContact O-N 3.26Å; Y87-S91 PolarHBondContact O-OG 3.44Å; Q88-S91 PolarHBondContact O-N 3.44Å; S91-L94 PolarHBondContact O-N 3.32Å; S91-N95 WeakPolarHBondContact O-CB 3.33Å; S91-N95 VanDerWaalsContact O-CG 3.24Å; S91-N95 PolarHBondContact O-N 3Å; S91-N95 PolarHBondContact O-ND2 3.17Å; S91-N95 VanDerWaalsContact O-ND2 3.13Å
92	R	73.9	Confident	69.6	Low	89 Å²	89	64.7 Å²	64.7	34%	0.336	29%	0.291	S	S	.	.	H	α-helix	trans	-62.1	-48.5	174.4	-179.2	171	63.8	175	-8.2	111.1	Q88 S89 L90 L94 N95 N96 G124 E129	Q88-R92 WeakPolarHBondContact O-CB 3.05Å; Q88-R92 PolarHBondContact O-N 2.74Å; S89-R92 PolarHBondContact O-N 3.45Å; L90-R92 VanDerWaalsContact C-N 3.31Å; L90-R92 PolarHBondContact O-N 3.48Å; R92-L94 VanDerWaalsContact C-N 3.33Å; R92-L94 PolarHBondContact O-N 3.49Å; R92-N95 PolarHBondContact O-N 3.03Å; R92-N96 WeakPolarHBondContact O-CB 3.39Å; R92-N96 PolarHBondContact O-N 2.63Å; R92-N96 PolarHBondContact O-ND2 2.84Å; R92-G124 PolarHBondContact NH1-O 2.68Å; R92-E129 IonicContact CZ-OE2 2.71Å; R92-E129 IonicContact NH2-OE1 3.39Å; R92-E129 PolarHBondContact NH2-OE1 3.16Å; R92-E129 IonicContact NH2-OE2 3.91Å; R92-E129 PolarHBondContact NH2-OE2 2.93Å
93	I	72.6	Confident	67.7	Low	37 Å²	37	72.7 Å²	72.7	19%	0.19	32%	0.319	C	S	.	.	H	α-helix	trans	-58.9	-46.9	177.4	-66	163.4	0	0	0	110.5	W48 S89 L90 N96 H97 I133	W48-I93 HydrophobicContact CH2-CB 3.86Å; W48-I93 HydrophobicContact CH2-CG2 3.52Å; W48-I93 HydrophobicContact CZ2-CG2 3.7Å; S89-I93 VanDerWaalsContact O-CG1 3.31Å; S89-I93 WeakPolarHBondContact O-CG1 2.89Å; S89-I93 PolarHBondContact O-N 3.24Å; L90-I93 PolarHBondContact O-N 3.16Å; I93-N96 PolarHBondContact O-N 3.34Å; I93-H97 PolarHBondContact O-N 2.83Å; I93-I133 HydrophobicContact CD1-CD1 4.12Å
94	L	74.9	Confident	65.8	Low	1 Å²	1	75.2 Å²	75.2	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-61.4	-50.7	179.9	-178.9	63.7	0	0	0	112	V44 R47 W48 L90 S91 R92 N96 H97 Y98	V44-L94 HydrophobicContact CG1-CD2 4.22Å; R47-L94 HydrophobicContact CB-CD1 4.49Å; R47-L94 HydrophobicContact CB-CD2 3.68Å; R47-L94 WeakPolarHBondContact O-CD1 2.99Å; W48-L94 HydrophobicContact CD2-CD1 4.32Å; W48-L94 HydrophobicContact CE3-CB 4.1Å; W48-L94 HydrophobicContact CE3-CD1 3.92Å; W48-L94 HydrophobicContact CE3-CG 4.42Å; W48-L94 HydrophobicContact CH2-CB 4.47Å; W48-L94 HydrophobicContact CZ3-CB 3.78Å; W48-L94 HydrophobicContact CZ3-CD1 4.42Å; L90-L94 WeakPolarHBondContact O-CB 3.37Å; L90-L94 PolarHBondContact O-N 3.28Å; S91-L94 PolarHBondContact O-N 3.32Å; R92-L94 VanDerWaalsContact C-N 3.33Å; R92-L94 PolarHBondContact O-N 3.49Å; L94-N96 PolarHBondContact O-N 2.91Å; L94-H97 WeakPolarHBondContact O-CB 3.39Å; L94-H97 PolarHBondContact O-N 3.11Å; L94-H97 VanDerWaalsContact O-N 3.16Å; L94-Y98 HydrophobicContact CD1-CD2 4.3Å; L94-Y98 HydrophobicContact CD1-CE2 3.62Å; L94-Y98 HydrophobicContact CG-CD2 4.31Å; L94-Y98 HydrophobicContact CG-CE2 3.89Å; L94-Y98 WeakPolarHBondContact O-CD2 3.04Å; L94-Y98 PolarHBondContact O-N 3.29Å
95	N	69.9	Low	63.9	Low	80 Å²	80	76.4 Å²	76.4	43%	0.428	35%	0.349	S	S	.	.	H	α-helix	trans	-62	-31.3	179.6	-73	-32	0	0	0	111.9	S91 R92 Y98 R99	S91-N95 WeakPolarHBondContact O-CB 3.33Å; S91-N95 VanDerWaalsContact O-CG 3.24Å; S91-N95 PolarHBondContact O-N 3Å; S91-N95 PolarHBondContact O-ND2 3.17Å; S91-N95 VanDerWaalsContact O-ND2 3.13Å; R92-N95 PolarHBondContact O-N 3.03Å; N95-Y98 PolarHBondContact O-N 3.39Å; N95-R99 PolarHBondContact O-N 3.36Å
96	N	62.3	Low	62.3	Low	21 Å²	21	77.6 Å²	77.6	11%	0.112	37%	0.368	C	S	.	.	H	α-helix	trans	-77.7	-32	176.5	-69.5	-19.6	0	0	0	112.8	R92 I93 L94 Y98 R99 D100 A122 T123	R92-N96 WeakPolarHBondContact O-CB 3.39Å; R92-N96 PolarHBondContact O-N 2.63Å; R92-N96 PolarHBondContact O-ND2 2.84Å; I93-N96 PolarHBondContact O-N 3.34Å; L94-N96 PolarHBondContact O-N 2.91Å; N96-Y98 PolarHBondContact O-N 2.65Å; N96-R99 WeakPolarHBondContact O-CA 3.05Å; N96-R99 WeakPolarHBondContact O-CB 3.31Å; N96-R99 PolarHBondContact O-N 2.71Å; N96-D100 PolarHBondContact O-N 2.74Å; N96-D100 VanDerWaalsContact O-N 3.11Å; N96-A122 WeakPolarHBondContact CB-O 3.33Å; N96-A122 VanDerWaalsContact CG-O 3.22Å; N96-A122 PolarHBondContact ND2-O 2.68Å; N96-T123 PolarHBondContact ND2-O 3Å
97	H	61.7	Low	60.4	Low	85 Å²	85	83.8 Å²	83.8	39%	0.394	41%	0.406	S	S	.	.	H	α-helix	trans	-57.9	-39.4	169.2	-175.7	75.2	0	0	0	111.7	P49 I93 L94 R99 D100	P49-H97 WeakPolarHBondContact CB-NE2 3.43Å; P49-H97 VanDerWaalsContact CG-CD2 3.48Å; P49-H97 WeakPolarHBondContact CG-CD2 3.38Å; P49-H97 WeakPolarHBondContact CG-NE2 3.39Å; I93-H97 PolarHBondContact O-N 2.83Å; L94-H97 WeakPolarHBondContact O-CB 3.39Å; L94-H97 PolarHBondContact O-N 3.11Å; L94-H97 VanDerWaalsContact O-N 3.16Å; H97-R99 VanDerWaalsContact C-N 3.27Å; H97-R99 PolarHBondContact O-N 3.39Å; H97-D100 PolarHBondContact O-N 3.18Å
98	Y	54.9	Low	58.4	Low	86 Å²	86	87.7 Å²	87.7	34%	0.337	43%	0.43	S	S	.	.	H	α-helix	trans	-73.1	-14.8	172	-68.2	-75.8	0	0	0	113.4	R47 L94 N95 N96 I101 Y102	R47-Y98 PolarHBondContact O-OH 2.86Å; L94-Y98 HydrophobicContact CD1-CD2 4.3Å; L94-Y98 HydrophobicContact CD1-CE2 3.62Å; L94-Y98 HydrophobicContact CG-CD2 4.31Å; L94-Y98 HydrophobicContact CG-CE2 3.89Å; L94-Y98 WeakPolarHBondContact O-CD2 3.04Å; L94-Y98 PolarHBondContact O-N 3.29Å; N95-Y98 PolarHBondContact O-N 3.39Å; N96-Y98 PolarHBondContact O-N 2.65Å; Y98-I101 HydrophobicContact CD1-CD1 3.75Å; Y98-I101 HydrophobicContact CG-CD1 4.49Å; Y98-I101 WeakPolarHBondContact O-CG1 3.41Å; Y98-Y102 WeakPolarHBondContact O-CD2 3.36Å; Y98-Y102 WeakPolarHBondContact O-CE2 3.46Å
99	R	47.7	Very low	56.4	Low	168 Å²	168	85 Å²	85	63%	0.634	43%	0.429	S	S	*	.	H	α-helix	trans	-77	-35.8	170.7	-77.6	-175.9	176.7	-106	0.8	112	N95 N96 H97 I101 Y102	N95-R99 PolarHBondContact O-N 3.36Å; N96-R99 WeakPolarHBondContact O-CA 3.05Å; N96-R99 WeakPolarHBondContact O-CB 3.31Å; N96-R99 PolarHBondContact O-N 2.71Å; H97-R99 VanDerWaalsContact C-N 3.27Å; H97-R99 PolarHBondContact O-N 3.39Å; R99-I101 PolarHBondContact O-N 2.77Å; R99-Y102 WeakPolarHBondContact O-CA 3.36Å; R99-Y102 WeakPolarHBondContact O-CB 3.48Å; R99-Y102 PolarHBondContact O-N 2.89Å
100	D	46.9	Very low	54.7	Low	92 Å²	92	90.5 Å²	90.5	49%	0.492	46%	0.458	S	S	.	.	H	α-helix	trans	-68.8	-19.5	-179.1	-65.6	-24.3	0	0	0	113.3	N96 H97 Y102	N96-D100 PolarHBondContact O-N 2.74Å; N96-D100 VanDerWaalsContact O-N 3.11Å; H97-D100 PolarHBondContact O-N 3.18Å; D100-Y102 VanDerWaalsContact C-N 3.33Å
101	I	42.9	Very low	53	Low	118 Å²	118	93 Å²	93	61%	0.605	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-16.6	168.2	52.6	170.5	0	0	0	113.1	Y98 R99	Y98-I101 HydrophobicContact CD1-CD1 3.75Å; Y98-I101 HydrophobicContact CG-CD1 4.49Å; Y98-I101 WeakPolarHBondContact O-CG1 3.41Å; R99-I101 PolarHBondContact O-N 2.77Å
102	Y	38.7	Very low	51	Low	173 Å²	173	96.4 Å²	96.4	68%	0.678	50%	0.498	S	S	*	.	S	Bend	trans	-78.8	124.7	168.4	-68.8	-84.5	0	0	0	108.3	Y98 R99 D100 P104	Y98-Y102 WeakPolarHBondContact O-CD2 3.36Å; Y98-Y102 WeakPolarHBondContact O-CE2 3.46Å; R99-Y102 WeakPolarHBondContact O-CA 3.36Å; R99-Y102 WeakPolarHBondContact O-CB 3.48Å; R99-Y102 PolarHBondContact O-N 2.89Å; D100-Y102 VanDerWaalsContact C-N 3.33Å; Y102-P104 WeakPolarHBondContact O-CD 3.47Å; Y102-P104 VanDerWaalsContact O-N 3.13Å
103	R	44.4	Very low	49.7	Very low	235 Å²	235	97.1 Å²	97.1	89%	0.887	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-51.2	124.7	172.2	-161.3	-178.7	-138.1	-178.4	3.7	107.7
104	P	42.6	Very low	48.4	Very low	61 Å²	61	99.4 Å²	99.4	40%	0.396	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-50.3	139.8	178.1	8.7	-22	0	0	0	109.8	Y102 S106 C112	Y102-P104 WeakPolarHBondContact O-CD 3.47Å; Y102-P104 VanDerWaalsContact O-N 3.13Å; P104-S106 PolarHBondContact O-N 3.19Å; P104-S106 VanDerWaalsContact O-N 3.16Å; P104-C112 VanDerWaalsContact CB-SG 3.57Å; P104-C112 HydrophobicContact CG-CB 3.9Å; P104-C112 WeakPolarHBondContact CG-SG 3.42Å
105	P	42.6	Very low	47	Very low	81 Å²	81	105.5 Å²	105.5	53%	0.526	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-49.5	126.1	-178.8	-24.7	28.6	0	0	0	110.1	V107 L108	P105-V107 PolarHBondContact O-N 3.31Å; P105-L108 HydrophobicContact CB-CD1 4.27Å; P105-L108 HydrophobicContact CB-CG 4.49Å; P105-L108 HydrophobicContact CG-CD1 4Å; P105-L108 PolarHBondContact O-N 3.13Å
106	S	46.3	Very low	45.6	Very low	124 Å²	124	105.6 Å²	105.6	87%	0.867	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-56.2	-16.5	-176.6	49.2	0	0	0	0	113.8	P104	P104-S106 PolarHBondContact O-N 3.19Å; P104-S106 VanDerWaalsContact O-N 3.16Å
107	V	42.8	Very low	44.4	Very low	134 Å²	134	105.8 Å²	105.8	81%	0.812	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-80.6	-15.9	179.3	-139.5	0	0	0	0	113.5	P105 G109	P105-V107 PolarHBondContact O-N 3.31Å; V107-G109 PolarHBondContact O-N 3.26Å
108	L	40.8	Very low	43.2	Very low	128 Å²	128	106.9 Å²	106.9	67%	0.67	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-83.2	12	-178.2	-75.4	170.3	0	0	0	114	P105	P105-L108 HydrophobicContact CB-CD1 4.27Å; P105-L108 HydrophobicContact CB-CG 4.49Å; P105-L108 HydrophobicContact CG-CD1 4Å; P105-L108 PolarHBondContact O-N 3.13Å
109	G	38.4	Very low	42.4	Very low	44 Å²	44	108.4 Å²	108.4	45%	0.454	63%	0.63	S	S	.	*			trans	75.7	157.8	172.5	0	0	0	0	0	113.6	V107 S111	V107-G109 PolarHBondContact O-N 3.26Å; G109-S111 PolarHBondContact O-N 3.45Å; G109-S111 PolarHBondContact O-OG 3.43Å
110	D	43.3	Very low	41.9	Very low	124 Å²	124	107.3 Å²	107.3	66%	0.663	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-58.6	11.3	-169.9	-78	-18.1	0	0	0	116.7	C112 T113 V114	D110-C112 PolarHBondContact O-N 2.89Å; D110-T113 WeakPolarHBondContact CA-OG1 3.42Å; D110-T113 VanDerWaalsContact CB-OG1 3.29Å; D110-T113 WeakPolarHBondContact CB-OG1 3.24Å; D110-T113 CarbonylContact O-C 3.52Å; D110-T113 WeakPolarHBondContact O-CA 3.43Å; D110-T113 PolarHBondContact O-N 3.28Å; D110-T113 PolarHBondContact O-OG1 3.42Å; D110-V114 HydrophobicContact CB-CG2 4.3Å; D110-V114 WeakPolarHBondContact O-CG2 3.32Å; D110-V114 PolarHBondContact O-N 2.76Å
111	S	43.7	Very low	41.6	Very low	58 Å²	58	104.7 Å²	104.7	41%	0.406	63%	0.627	S	S	.	*	G	3₁₀ helix	trans	-55	-18.7	172.8	59.7	0	0	0	0	113.8	G109	G109-S111 PolarHBondContact O-N 3.45Å; G109-S111 PolarHBondContact O-OG 3.43Å
112	C	40.1	Very low	41.4	Very low	85 Å²	85	101.3 Å²	101.3	57%	0.574	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-85.5	-14.4	174.9	-56.2	0	0	0	0	113.6	P104 D110	P104-C112 VanDerWaalsContact CB-SG 3.57Å; P104-C112 HydrophobicContact CG-CB 3.9Å; P104-C112 WeakPolarHBondContact CG-SG 3.42Å; D110-C112 PolarHBondContact O-N 2.89Å
113	T	45.7	Very low	41.6	Very low	104 Å²	104	95.2 Å²	95.2	64%	0.638	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	-12.5	175.5	45.3	0	0	0	0	112.9	D110	D110-T113 WeakPolarHBondContact CA-OG1 3.42Å; D110-T113 VanDerWaalsContact CB-OG1 3.29Å; D110-T113 WeakPolarHBondContact CB-OG1 3.24Å; D110-T113 CarbonylContact O-C 3.52Å; D110-T113 WeakPolarHBondContact O-CA 3.43Å; D110-T113 PolarHBondContact O-N 3.28Å; D110-T113 PolarHBondContact O-OG1 3.42Å
114	V	44.8	Very low	41.3	Very low	85 Å²	85	86.2 Å²	86.2	52%	0.515	58%	0.578	S	S	.	*	S	Bend	trans	-100.9	114.7	176.2	-173.4	0	0	0	0	110.1	D110 G116 G117	D110-V114 HydrophobicContact CB-CG2 4.3Å; D110-V114 WeakPolarHBondContact O-CG2 3.32Å; D110-V114 PolarHBondContact O-N 2.76Å; V114-G116 PolarHBondContact O-N 3.43Å; V114-G117 PolarHBondContact O-N 3.46Å; V114-G117 VanDerWaalsContact O-N 3.17Å
115	P	45.6	Very low	41.2	Very low	129 Å²	129	83.9 Å²	83.9	84%	0.838	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.5	127.2	170.9	-22.9	32.7	0	0	0	110.7
116	G	41.4	Very low	41.4	Very low	82 Å²	82	84.1 Å²	84.1	85%	0.845	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	95.5	1.2	-178.4	0	0	0	0	0	115.5	V114 S118	V114-G116 PolarHBondContact O-N 3.43Å; G116-S118 PolarHBondContact O-N 3.01Å
117	G	36.7	Very low	41.3	Very low	26 Å²	26	83.5 Å²	83.5	27%	0.268	55%	0.547	S	S	.	.			trans	-58.2	136.2	164.6	0	0	0	0	0	110.3	V114 V119	V114-G117 PolarHBondContact O-N 3.46Å; V114-G117 VanDerWaalsContact O-N 3.17Å; G117-V119 VanDerWaalsContact C-N 3.32Å; G117-V119 PolarHBondContact O-N 3.15Å
118	S	36.2	Very low	41.6	Very low	108 Å²	108	83 Å²	83	76%	0.755	54%	0.538	S	S	*	.			trans	-60.1	98.1	174.9	-59.5	0	0	0	0	108.8	G116 I120	G116-S118 PolarHBondContact O-N 3.01Å; S118-I120 PolarHBondContact O-N 2.74Å
119	V	38.8	Very low	42.1	Very low	118 Å²	118	78.5 Å²	78.5	72%	0.715	51%	0.514	S	S	*	.			trans	-64.1	86.5	153.9	-174.6	0	0	0	0	103	G117 A121	G117-V119 VanDerWaalsContact C-N 3.32Å; G117-V119 PolarHBondContact O-N 3.15Å; V119-A121 PolarHBondContact O-N 3.38Å
120	I	36.8	Very low	42.6	Very low	144 Å²	144	78.3 Å²	78.3	74%	0.738	51%	0.505	S	S	*	.			trans	-52.5	102.8	153	-61.5	175.3	0	0	0	100.5	S118 A122	S118-I120 PolarHBondContact O-N 2.74Å; I120-A122 PolarHBondContact O-N 3.21Å
121	A	40.6	Very low	43	Very low	38 Å²	38	77.2 Å²	77.2	31%	0.314	49%	0.492	S	S	.	.			trans	-50.5	105.6	172.6	0	0	0	0	0	102.5	V119 T123	V119-A121 PolarHBondContact O-N 3.38Å; A121-T123 HydrophobicContact CB-CG2 3.82Å; A121-T123 WeakPolarHBondContact CB-OG1 3.37Å; A121-T123 PolarHBondContact O-N 2.79Å; A121-T123 PolarHBondContact O-OG1 3.16Å; A121-T123 VanDerWaalsContact O-OG1 3.1Å
122	A	39.8	Very low	43.7	Very low	47 Å²	47	78.6 Å²	78.6	39%	0.388	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	14	-177.4	0	0	0	0	0	109.6	N96 I120 G124	N96-A122 WeakPolarHBondContact CB-O 3.33Å; N96-A122 VanDerWaalsContact CG-O 3.22Å; N96-A122 PolarHBondContact ND2-O 2.68Å; I120-A122 PolarHBondContact O-N 3.21Å; A122-G124 PolarHBondContact O-N 3.26Å; A122-G124 VanDerWaalsContact O-N 3.16Å
123	T	43.3	Very low	44.4	Very low	45 Å²	45	76.2 Å²	76.2	28%	0.276	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-25.3	172.2	55.1	0	0	0	0	112.1	N96 A121 A125	N96-T123 PolarHBondContact ND2-O 3Å; A121-T123 HydrophobicContact CB-CG2 3.82Å; A121-T123 WeakPolarHBondContact CB-OG1 3.37Å; A121-T123 PolarHBondContact O-N 2.79Å; A121-T123 PolarHBondContact O-OG1 3.16Å; A121-T123 VanDerWaalsContact O-OG1 3.1Å; T123-A125 PolarHBondContact O-N 3.1Å
124	G	37.1	Very low	44.8	Very low	46 Å²	46	72.6 Å²	72.6	47%	0.474	45%	0.446	S	S	.	.			trans	56.8	-3.3	179	0	0	0	0	0	114.9	R92 A122	R92-G124 PolarHBondContact NH1-O 2.68Å; A122-G124 PolarHBondContact O-N 3.26Å; A122-G124 VanDerWaalsContact O-N 3.16Å
125	A	41.2	Very low	45.3	Very low	12 Å²	12	75.3 Å²	75.3	10%	0.099	45%	0.448	C	S	.	.			trans	-76.2	122.4	164.6	0	0	0	0	0	105.2	T123 E129	T123-A125 PolarHBondContact O-N 3.1Å; A125-E129 HydrophobicContact CB-CB 4.36Å
126	D	46.1	Very low	45.7	Very low	85 Å²	85	73.8 Å²	73.8	46%	0.455	43%	0.432	S	S	.	.			trans	-59.8	153.6	165.1	62.6	32.2	0	0	0	108.2	I128 E129 C130	D126-I128 PolarHBondContact O-N 3.07Å; D126-I128 WeakPolarHBondContact OD1-CA 3.4Å; D126-I128 VanDerWaalsContact OD1-CB 3.24Å; D126-I128 WeakPolarHBondContact OD1-CB 3.39Å; D126-I128 PolarHBondContact OD1-N 2.7Å; D126-I128 VanDerWaalsContact OD1-N 3.09Å; D126-E129 PolarHBondContact O-N 2.93Å; D126-E129 VanDerWaalsContact O-N 3.07Å; D126-E129 PolarHBondContact OD1-N 3.09Å; D126-C130 PolarHBondContact O-N 2.87Å
127	L	44.3	Very low	46.1	Very low	112 Å²	112	74.1 Å²	74.1	59%	0.586	41%	0.408	S	S	*	.	H	α-helix	trans	-57.1	-13.3	176.2	-114.3	146.5	0	0	0	112.6	R131	L127-R131 VanDerWaalsContact O-CB 3.25Å; L127-R131 WeakPolarHBondContact O-CB 3.07Å; L127-R131 WeakPolarHBondContact O-CG 3.42Å; L127-R131 PolarHBondContact O-N 3.3Å; L127-R131 PolarHBondContact O-NE 3.42Å; L127-R131 VanDerWaalsContact O-NE 3.16Å
128	I	48.4	Very low	46.7	Very low	122 Å²	122	75.7 Å²	75.7	63%	0.626	41%	0.409	S	S	*	.	H	α-helix	trans	-79.7	-40.2	179.1	-60.4	166.5	0	0	0	109.9	D126 R131 R132	D126-I128 PolarHBondContact O-N 3.07Å; D126-I128 WeakPolarHBondContact OD1-CA 3.4Å; D126-I128 VanDerWaalsContact OD1-CB 3.24Å; D126-I128 WeakPolarHBondContact OD1-CB 3.39Å; D126-I128 PolarHBondContact OD1-N 2.7Å; D126-I128 VanDerWaalsContact OD1-N 3.09Å; I128-R131 CarbonylContact O-C 3.52Å; I128-R131 WeakPolarHBondContact O-CB 3.39Å; I128-R131 PolarHBondContact O-N 3.17Å; I128-R132 WeakPolarHBondContact O-CB 3.05Å; I128-R132 PolarHBondContact O-N 3.05Å
129	E	51.3	Low	47.3	Very low	34 Å²	34	79.5 Å²	79.5	16%	0.159	42%	0.415	C	S	.	.	H	α-helix	trans	-69.5	-46.5	178.8	-116.6	-162.8	-160.7	0	0	111.8	S89 R92 A125 D126 R131 R132 I133	S89-E129 VanDerWaalsContact OG-CD 3.32Å; S89-E129 PolarHBondContact OG-OE1 2.94Å; R92-E129 IonicContact CZ-OE2 2.71Å; R92-E129 IonicContact NH2-OE1 3.39Å; R92-E129 PolarHBondContact NH2-OE1 3.16Å; R92-E129 IonicContact NH2-OE2 3.91Å; R92-E129 PolarHBondContact NH2-OE2 2.93Å; A125-E129 HydrophobicContact CB-CB 4.36Å; D126-E129 PolarHBondContact O-N 2.93Å; D126-E129 VanDerWaalsContact O-N 3.07Å; D126-E129 PolarHBondContact OD1-N 3.09Å; E129-R131 PolarHBondContact O-N 2.98Å; E129-R132 PolarHBondContact O-N 3.26Å; E129-R132 VanDerWaalsContact O-N 3.15Å; E129-I133 WeakPolarHBondContact O-CG1 3.5Å; E129-I133 PolarHBondContact O-N 3.39Å
130	C	50.5	Low	47.7	Very low	40 Å²	40	81.1 Å²	81.1	27%	0.27	41%	0.414	S	S	.	.	H	α-helix	trans	-57.2	-43.6	171.4	-71.2	0	0	0	0	109.7	D126 L134	D126-C130 PolarHBondContact O-N 2.87Å; C130-L134 WeakPolarHBondContact O-CB 3.3Å; C130-L134 WeakPolarHBondContact O-CD1 3.34Å; C130-L134 WeakPolarHBondContact O-CG 3.49Å; C130-L134 PolarHBondContact O-N 3.26Å
131	R	50.6	Low	48.1	Very low	102 Å²	102	79.2 Å²	79.2	39%	0.385	41%	0.405	S	S	.	.	H	α-helix	trans	-61.5	-45.2	174.6	-86.8	-176.2	-111.7	-151.9	-3.2	112.4	L127 I128 E129 I133 L134 Y135	L127-R131 VanDerWaalsContact O-CB 3.25Å; L127-R131 WeakPolarHBondContact O-CB 3.07Å; L127-R131 WeakPolarHBondContact O-CG 3.42Å; L127-R131 PolarHBondContact O-N 3.3Å; L127-R131 PolarHBondContact O-NE 3.42Å; L127-R131 VanDerWaalsContact O-NE 3.16Å; I128-R131 CarbonylContact O-C 3.52Å; I128-R131 WeakPolarHBondContact O-CB 3.39Å; I128-R131 PolarHBondContact O-N 3.17Å; E129-R131 PolarHBondContact O-N 2.98Å; R131-I133 PolarHBondContact O-N 3.08Å; R131-L134 CarbonylContact O-C 3.6Å; R131-L134 PolarHBondContact O-N 2.75Å; R131-L134 VanDerWaalsContact O-N 3.13Å; R131-Y135 HydrophobicContact CB-CD2 4.12Å; R131-Y135 HydrophobicContact CB-CE2 4.5Å; R131-Y135 HydrophobicContact CG-CD2 4.41Å; R131-Y135 HydrophobicContact CG-CE2 4.36Å; R131-Y135 VanDerWaalsContact O-CB 3.32Å; R131-Y135 WeakPolarHBondContact O-CB 3.19Å; R131-Y135 WeakPolarHBondContact O-CD2 3.25Å; R131-Y135 PolarHBondContact O-N 2.73Å
132	R	57.7	Low	48.3	Very low	87 Å²	87	85.9 Å²	85.9	33%	0.328	43%	0.43	S	S	.	.	H	α-helix	trans	-57.6	-50	-180	-172.3	-172.2	73	82.5	-4.9	111.4	E86 I128 E129 L134 Y135 D136	E86-R132 IonicContact OE2-NH2 2.83Å; E86-R132 PolarHBondContact OE2-NH2 3.45Å; E86-R132 VanDerWaalsContact OE2-NH2 3.17Å; I128-R132 WeakPolarHBondContact O-CB 3.05Å; I128-R132 PolarHBondContact O-N 3.05Å; E129-R132 PolarHBondContact O-N 3.26Å; E129-R132 VanDerWaalsContact O-N 3.15Å; R132-L134 PolarHBondContact O-N 3.16Å; R132-Y135 PolarHBondContact O-N 3.27Å; R132-D136 PolarHBondContact O-N 2.77Å
133	I	55.7	Low	48.6	Very low	34 Å²	34	93 Å²	93	17%	0.174	45%	0.453	C	S	.	.	H	α-helix	trans	-61.7	-32.6	179.8	-64.9	168.4	0	0	0	111.2	I93 E129 R131	I93-I133 HydrophobicContact CD1-CD1 4.12Å; E129-I133 WeakPolarHBondContact O-CG1 3.5Å; E129-I133 PolarHBondContact O-N 3.39Å; R131-I133 PolarHBondContact O-N 3.08Å
134	L	54.8	Low	48.7	Very low	28 Å²	28	93.4 Å²	93.4	15%	0.147	47%	0.465	C	S	.	.	H	α-helix	trans	-84.8	-38.1	-178.3	-65.8	176.1	0	0	0	113.5	C130 R131 R132 R137 L147 L151	C130-L134 WeakPolarHBondContact O-CB 3.3Å; C130-L134 WeakPolarHBondContact O-CD1 3.34Å; C130-L134 WeakPolarHBondContact O-CG 3.49Å; C130-L134 PolarHBondContact O-N 3.26Å; R131-L134 CarbonylContact O-C 3.6Å; R131-L134 PolarHBondContact O-N 2.75Å; R131-L134 VanDerWaalsContact O-N 3.13Å; R132-L134 PolarHBondContact O-N 3.16Å; L134-R137 PolarHBondContact O-N 3.27Å; L134-L147 HydrophobicContact CD1-CB 4.43Å; L134-L147 HydrophobicContact CD2-CB 3.65Å; L134-L147 HydrophobicContact CD2-CD1 3.83Å; L134-L147 HydrophobicContact CD2-CD2 4.03Å; L134-L147 HydrophobicContact CD2-CG 4.04Å; L134-L147 HydrophobicContact CG-CB 4.49Å; L134-L151 HydrophobicContact CD1-CD1 3.65Å
135	Y	54.6	Low	49.5	Very low	142 Å²	142	95.4 Å²	95.4	56%	0.557	47%	0.468	S	S	*	.	H	α-helix	trans	-67.6	-35.8	-175.4	-104.4	-82.2	0	0	0	112.7	R131 R132 R137 E138	R131-Y135 HydrophobicContact CB-CD2 4.12Å; R131-Y135 HydrophobicContact CB-CE2 4.5Å; R131-Y135 HydrophobicContact CG-CD2 4.41Å; R131-Y135 HydrophobicContact CG-CE2 4.36Å; R131-Y135 VanDerWaalsContact O-CB 3.32Å; R131-Y135 WeakPolarHBondContact O-CB 3.19Å; R131-Y135 WeakPolarHBondContact O-CD2 3.25Å; R131-Y135 PolarHBondContact O-N 2.73Å; R132-Y135 PolarHBondContact O-N 3.27Å; Y135-R137 PolarHBondContact O-N 2.85Å; Y135-E138 PolarHBondContact O-N 3.17Å; Y135-E138 VanDerWaalsContact O-N 3.08Å
136	D	54.8	Low	49.9	Very low	97 Å²	97	97.1 Å²	97.1	52%	0.519	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-11.8	178.2	-74	-8.9	0	0	0	113.1	R132	R132-D136 PolarHBondContact O-N 2.77Å
137	R	50	Low	49.9	Very low	90 Å²	90	96.2 Å²	96.2	34%	0.34	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-10.1	177.6	-122	-163.6	-173.7	164.8	16.2	115.6	E62 L134 Y135 E139 E140 N141	E62-R137 IonicContact OE1-NH2 2.98Å; E62-R137 IonicContact OE2-CZ 2.73Å; E62-R137 VanDerWaalsContact OE2-CZ 3.28Å; E62-R137 IonicContact OE2-NH1 3.58Å; E62-R137 PolarHBondContact OE2-NH1 2.83Å; E62-R137 IonicContact OE2-NH2 3.33Å; E62-R137 PolarHBondContact OE2-NH2 2.88Å; L134-R137 PolarHBondContact O-N 3.27Å; Y135-R137 PolarHBondContact O-N 2.85Å; R137-E139 VanDerWaalsContact C-N 3.32Å; R137-E140 PolarHBondContact O-N 3.05Å; R137-N141 PolarHBondContact O-N 3.19Å; R137-N141 PolarHBondContact O-ND2 2.95Å
138	E	48.1	Very low	50.2	Low	59 Å²	59	95.3 Å²	95.3	28%	0.276	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-28.5	179.4	-80.3	-173.7	179.1	0	0	111.8	Y135 E140 S146	Y135-E138 PolarHBondContact O-N 3.17Å; Y135-E138 VanDerWaalsContact O-N 3.08Å; E138-E140 VanDerWaalsContact C-N 3.26Å; E138-E140 PolarHBondContact O-N 3.11Å; E138-S146 WeakPolarHBondContact OE1-CB 3.33Å
139	E	48.6	Very low	50.5	Low	188 Å²	188	93.3 Å²	93.3	88%	0.879	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.8	171	-99.2	-173	165.2	0	0	113	R137	R137-E139 VanDerWaalsContact C-N 3.32Å
140	E	48.4	Very low	50.6	Low	151 Å²	151	96.3 Å²	96.3	71%	0.706	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-25.7	-176.7	-69.3	-172.9	159.3	0	0	114	R137 E138	R137-E140 PolarHBondContact O-N 3.05Å; E138-E140 VanDerWaalsContact C-N 3.26Å; E138-E140 PolarHBondContact O-N 3.11Å
141	N	44.2	Very low	50.5	Low	104 Å²	104	97.8 Å²	97.8	56%	0.556	47%	0.466	S	S	*	.			trans	-111.7	60.9	-171.7	-72.1	-70.8	0	0	0	112.4	R137 K143	R137-N141 PolarHBondContact O-N 3.19Å; R137-N141 PolarHBondContact O-ND2 2.95Å; N141-K143 PolarHBondContact O-N 3.4Å
142	E	44.5	Very low	50.4	Low	178 Å²	178	94.5 Å²	94.5	83%	0.832	46%	0.458	S	S	*	.			trans	-59.6	4.7	179.8	-112.3	-171.7	177.8	0	0	116.3
143	K	46.2	Very low	50.2	Low	198 Å²	198	93.5 Å²	93.5	86%	0.861	46%	0.459	S	S	*	.	S	Bend	trans	-142.7	93	-176.6	-66	-174.8	-177.4	174.3	0	113	N141	N141-K143 PolarHBondContact O-N 3.4Å
144	G	46.4	Very low	50	Low	53 Å²	53	99.1 Å²	99.1	55%	0.546	48%	0.482	S	S	.	.	S	Bend	trans	130.5	90.6	157.2	0	0	0	0	0	113.7	R150	G144-R150 PolarHBondContact O-NH2 2.91Å
145	V	52.4	Low	49.5	Very low	87 Å²	87	102.4 Å²	102.4	53%	0.527	50%	0.499	S	S	.	.			trans	44.6	99.6	168.4	-167.8	0	0	0	0	113.3	Q149 R150	V145-Q149 HydrophobicContact CG1-CB 4.12Å; V145-Q149 HydrophobicContact CG1-CG 4.23Å; V145-R150 HydrophobicContact CG1-CG 3.78Å; V145-R150 PolarHBondContact O-NE 3.05Å; V145-R150 PolarHBondContact O-NH2 2.82Å
146	S	49.7	Very low	48.9	Very low	48 Å²	48	103.6 Å²	103.6	34%	0.336	51%	0.507	S	S	.	.			trans	-49	141.7	180	61.2	0	0	0	0	111.7	E138 Y148 Q149 R150	E138-S146 WeakPolarHBondContact OE1-CB 3.33Å; S146-Y148 PolarHBondContact O-N 3.05Å; S146-Q149 WeakPolarHBondContact O-CB 3.4Å; S146-Q149 PolarHBondContact O-N 3.28Å; S146-Q149 VanDerWaalsContact OG-CB 3.3Å; S146-Q149 WeakPolarHBondContact OG-CB 3.46Å; S146-Q149 PolarHBondContact OG-N 3.27Å; S146-Q149 VanDerWaalsContact OG-N 3.16Å; S146-R150 PolarHBondContact O-N 3Å; S146-R150 VanDerWaalsContact O-N 3.09Å
147	L	47.2	Very low	48.2	Very low	66 Å²	66	107.8 Å²	107.8	35%	0.346	53%	0.53	S	S	.	.	H	α-helix	trans	-57.6	-33.6	175.5	-107.3	151.5	0	0	0	110.7	L134 R150 L151	L134-L147 HydrophobicContact CD1-CB 4.43Å; L134-L147 HydrophobicContact CD2-CB 3.65Å; L134-L147 HydrophobicContact CD2-CD1 3.83Å; L134-L147 HydrophobicContact CD2-CD2 4.03Å; L134-L147 HydrophobicContact CD2-CG 4.04Å; L134-L147 HydrophobicContact CG-CB 4.49Å; L147-R150 PolarHBondContact O-N 3.24Å; L147-L151 WeakPolarHBondContact O-CB 3.46Å; L147-L151 PolarHBondContact O-N 2.88Å
148	Y	50.7	Low	48.1	Very low	93 Å²	93	108.7 Å²	108.7	37%	0.365	54%	0.539	S	S	.	.	H	α-helix	trans	-53.6	-54.4	169.3	178.4	-98.8	0	0	0	111.9	S146 R150 L151 V152	S146-Y148 PolarHBondContact O-N 3.05Å; Y148-R150 VanDerWaalsContact C-N 3.25Å; Y148-R150 PolarHBondContact O-N 2.98Å; Y148-L151 WeakPolarHBondContact O-CB 3.48Å; Y148-L151 PolarHBondContact O-N 2.96Å; Y148-V152 HydrophobicContact CD1-CG2 4.14Å; Y148-V152 HydrophobicContact CE1-CG2 3.69Å; Y148-V152 HydrophobicContact CE2-CG2 4.14Å; Y148-V152 WeakPolarHBondContact O-CG2 3.21Å; Y148-V152 PolarHBondContact O-N 2.77Å
149	Q	53.4	Low	48.1	Very low	81 Å²	81	111.3 Å²	111.3	38%	0.379	55%	0.553	S	S	.	*	H	α-helix	trans	-58.7	-39.9	179.9	-170.8	60.7	48	0	0	111.2	V145 S146 L151 V152 D153	V145-Q149 HydrophobicContact CG1-CB 4.12Å; V145-Q149 HydrophobicContact CG1-CG 4.23Å; S146-Q149 WeakPolarHBondContact O-CB 3.4Å; S146-Q149 PolarHBondContact O-N 3.28Å; S146-Q149 VanDerWaalsContact OG-CB 3.3Å; S146-Q149 WeakPolarHBondContact OG-CB 3.46Å; S146-Q149 PolarHBondContact OG-N 3.27Å; S146-Q149 VanDerWaalsContact OG-N 3.16Å; Q149-L151 VanDerWaalsContact C-N 3.32Å; Q149-L151 PolarHBondContact O-N 2.88Å; Q149-V152 WeakPolarHBondContact O-CB 3.29Å; Q149-V152 PolarHBondContact O-N 3.09Å; Q149-D153 PolarHBondContact NE2-OD1 2.81Å; Q149-D153 WeakPolarHBondContact O-CB 3.44Å; Q149-D153 PolarHBondContact O-N 3.16Å
150	R	53.3	Low	48.1	Very low	96 Å²	96	107 Å²	107	36%	0.362	54%	0.535	S	S	.	.	H	α-helix	trans	-68.2	-30.5	178	-58.9	179.4	-160.8	-169.7	2.7	113.5	G144 V145 S146 L147 Y148 K154	G144-R150 PolarHBondContact O-NH2 2.91Å; V145-R150 HydrophobicContact CG1-CG 3.78Å; V145-R150 PolarHBondContact O-NE 3.05Å; V145-R150 PolarHBondContact O-NH2 2.82Å; S146-R150 PolarHBondContact O-N 3Å; S146-R150 VanDerWaalsContact O-N 3.09Å; L147-R150 PolarHBondContact O-N 3.24Å; Y148-R150 VanDerWaalsContact C-N 3.25Å; Y148-R150 PolarHBondContact O-N 2.98Å; R150-K154 PolarHBondContact O-N 3.29Å
151	L	48.4	Very low	48.1	Very low	71 Å²	71	104.4 Å²	104.4	37%	0.372	53%	0.525	S	S	.	.	H	α-helix	trans	-73	-43.1	175.5	-119.3	149.8	0	0	0	110.3	L134 L147 Y148 Q149 K154 L155	L134-L151 HydrophobicContact CD1-CD1 3.65Å; L147-L151 WeakPolarHBondContact O-CB 3.46Å; L147-L151 PolarHBondContact O-N 2.88Å; Y148-L151 WeakPolarHBondContact O-CB 3.48Å; Y148-L151 PolarHBondContact O-N 2.96Å; Q149-L151 VanDerWaalsContact C-N 3.32Å; Q149-L151 PolarHBondContact O-N 2.88Å; L151-K154 PolarHBondContact O-N 2.93Å; L151-L155 HydrophobicContact CD2-CD1 4.04Å; L151-L155 HydrophobicContact CD2-CG 4.46Å; L151-L155 WeakPolarHBondContact O-CG 3.28Å; L151-L155 PolarHBondContact O-N 3.32Å
152	V	50	Low	48.3	Very low	34 Å²	34	104.4 Å²	104.4	21%	0.206	52%	0.523	C	S	.	.	H	α-helix	trans	-57.2	-50.8	170.9	172.4	0	0	0	0	109.7	Y148 Q149 K154 L155 F156	Y148-V152 HydrophobicContact CD1-CG2 4.14Å; Y148-V152 HydrophobicContact CE1-CG2 3.69Å; Y148-V152 HydrophobicContact CE2-CG2 4.14Å; Y148-V152 WeakPolarHBondContact O-CG2 3.21Å; Y148-V152 PolarHBondContact O-N 2.77Å; Q149-V152 WeakPolarHBondContact O-CB 3.29Å; Q149-V152 PolarHBondContact O-N 3.09Å; V152-K154 PolarHBondContact O-N 2.81Å; V152-K154 VanDerWaalsContact O-N 3.11Å; V152-L155 PolarHBondContact O-N 3Å; V152-F156 HydrophobicContact CB-CD2 4.46Å; V152-F156 HydrophobicContact CG1-CD2 3.75Å; V152-F156 HydrophobicContact CG1-CE2 4.21Å; V152-F156 VanDerWaalsContact O-CD2 3.28Å; V152-F156 WeakPolarHBondContact O-CD2 3.38Å; V152-F156 PolarHBondContact O-N 3.29Å
153	D	53.6	Low	48.6	Very low	65 Å²	65	99.5 Å²	99.5	35%	0.348	50%	0.503	S	S	.	.	H	α-helix	trans	-59.7	-28.1	179.7	-63.1	-15.8	0	0	0	112.5	Q149 N157	Q149-D153 PolarHBondContact NE2-OD1 2.81Å; Q149-D153 WeakPolarHBondContact O-CB 3.44Å; Q149-D153 PolarHBondContact O-N 3.16Å; D153-N157 WeakPolarHBondContact O-CB 3.48Å; D153-N157 PolarHBondContact O-N 3.49Å; D153-N157 PolarHBondContact O-ND2 3.17Å
154	K	50.2	Low	48.8	Very low	152 Å²	152	92.5 Å²	92.5	66%	0.661	48%	0.477	S	S	*	.	H	α-helix	trans	-84.6	-26.9	176.3	-98.8	-166	171.4	-162.7	0	114.5	R150 L151 V152	R150-K154 PolarHBondContact O-N 3.29Å; L151-K154 PolarHBondContact O-N 2.93Å; V152-K154 PolarHBondContact O-N 2.81Å; V152-K154 VanDerWaalsContact O-N 3.11Å
155	L	44	Very low	48.9	Very low	98 Å²	98	95.5 Å²	95.5	51%	0.513	47%	0.472	S	S	.	.	H	α-helix	trans	-85.1	-24	-180	-71.9	170.9	0	0	0	111.6	L151 V152	L151-L155 HydrophobicContact CD2-CD1 4.04Å; L151-L155 HydrophobicContact CD2-CG 4.46Å; L151-L155 WeakPolarHBondContact O-CG 3.28Å; L151-L155 PolarHBondContact O-N 3.32Å; V152-L155 PolarHBondContact O-N 3Å
156	F	43.7	Very low	48.6	Very low	166 Å²	166	96.3 Å²	96.3	73%	0.728	47%	0.467	S	S	*	.	H	α-helix	trans	-117.3	2.8	-174.7	-61.9	-75.4	0	0	0	114.9	V152	V152-F156 HydrophobicContact CB-CD2 4.46Å; V152-F156 HydrophobicContact CG1-CD2 3.75Å; V152-F156 HydrophobicContact CG1-CE2 4.21Å; V152-F156 VanDerWaalsContact O-CD2 3.28Å; V152-F156 WeakPolarHBondContact O-CD2 3.38Å; V152-F156 PolarHBondContact O-N 3.29Å
157	N	39.5	Very low	48.6	Very low	185 Å²	185	100.6 Å²	100.6	99%	0.989	48%	0.479	S	S	*	.			trans	-115.6	0	164.1	-62.7	-56.9	0	0	0	110.2	D153	D153-N157 WeakPolarHBondContact O-CB 3.48Å; D153-N157 PolarHBondContact O-N 3.49Å; D153-N157 PolarHBondContact O-ND2 3.17Å

Retrieved 157 of 157 residues in 52.6 ms (Link to these results)

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