A0A3Q0KS90_SCHMA Loading...

IL4_i_Ig domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KS90, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 197 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	56.1	Low	74.1	Confident	240 Å²	240	112 Å²	112	100%	1.182	62%	0.616	S	S	*	*				0	113.2	0	-75.4	176.5	151.2	0	0	107.3
2	S	68.2	Low	73.8	Confident	75 Å²	75	111.3 Å²	111.3	52%	0.524	61%	0.61	S	S	.	*			trans	-70.7	134.6	-168.8	-176.2	0	0	0	0	110.8	A4 F5	S2-A4 PolarHBondContact O-N 2.99Å; S2-F5 PolarHBondContact O-N 3.15Å
3	A	77.1	Confident	73.5	Confident	73 Å²	73	108.6 Å²	108.6	60%	0.603	60%	0.599	S	S	*	*	H	α-helix	trans	-52.8	-25.6	179	0	0	0	0	0	113.1	F5 I6 I7	A3-F5 VanDerWaalsContact C-N 3.29Å; A3-F5 PolarHBondContact O-N 3.19Å; A3-I6 PolarHBondContact O-N 3.36Å; A3-I7 PolarHBondContact O-N 2.9Å
4	A	77.9	Confident	73	Confident	64 Å²	64	107.1 Å²	107.1	53%	0.529	60%	0.599	S	S	.	*	H	α-helix	trans	-59.5	-34.6	173.9	0	0	0	0	0	113.6	S2 L8	S2-A4 PolarHBondContact O-N 2.99Å; A4-L8 PolarHBondContact O-N 3.34Å
5	F	76.3	Confident	72.1	Confident	147 Å²	147	110.4 Å²	110.4	65%	0.645	60%	0.604	S	S	*	*	H	α-helix	trans	-71.8	-32.8	179	-89.3	-83.3	0	0	0	112.9	S2 A3 F9	S2-F5 PolarHBondContact O-N 3.15Å; A3-F5 VanDerWaalsContact C-N 3.29Å; A3-F5 PolarHBondContact O-N 3.19Å; F5-F9 PolarHBondContact O-N 3.47Å; F5-F9 VanDerWaalsContact O-N 3.15Å
6	I	77	Confident	71.2	Confident	117 Å²	117	110.3 Å²	110.3	60%	0.6	61%	0.608	S	S	*	*	H	α-helix	trans	-70.6	-40.8	178	-63.3	-168.2	0	0	0	110.4	A3 L8 F9 V10	A3-I6 PolarHBondContact O-N 3.36Å; I6-L8 VanDerWaalsContact C-N 3.34Å; I6-L8 PolarHBondContact O-N 3.29Å; I6-F9 PolarHBondContact O-N 2.97Å; I6-V10 HydrophobicContact CG2-CG2 4.46Å; I6-V10 WeakPolarHBondContact O-CG2 3.43Å; I6-V10 PolarHBondContact O-N 3.47Å
7	I	78	Confident	70.3	Confident	113 Å²	113	113.9 Å²	113.9	58%	0.579	62%	0.62	S	S	*	*	H	α-helix	trans	-63.2	-42.8	177	-61.7	175.9	0	0	0	110.5	A3 F9 V10 V11	A3-I7 PolarHBondContact O-N 2.9Å; I7-F9 VanDerWaalsContact C-N 3.33Å; I7-F9 PolarHBondContact O-N 3.04Å; I7-V10 PolarHBondContact O-N 3.28Å; I7-V11 HydrophobicContact CG2-CG2 4.38Å; I7-V11 VanDerWaalsContact O-CG2 3.27Å; I7-V11 WeakPolarHBondContact O-CG2 3.46Å; I7-V11 PolarHBondContact O-N 3.4Å
8	L	78	Confident	69.2	Low	103 Å²	103	120.4 Å²	120.4	54%	0.539	63%	0.634	S	S	.	*	H	α-helix	trans	-59.9	-42.4	177	-163.1	93.5	0	0	0	111.9	A4 I6 V11 L12	A4-L8 PolarHBondContact O-N 3.34Å; I6-L8 VanDerWaalsContact C-N 3.34Å; I6-L8 PolarHBondContact O-N 3.29Å; L8-V11 PolarHBondContact O-N 3.32Å; L8-L12 HydrophobicContact CD2-CD1 4.04Å; L8-L12 HydrophobicContact CG-CD1 4.06Å; L8-L12 WeakPolarHBondContact O-CB 3.27Å; L8-L12 PolarHBondContact O-N 2.97Å
9	F	74.7	Confident	68	Low	145 Å²	145	119.8 Å²	119.8	64%	0.636	64%	0.64	S	S	*	*	H	α-helix	trans	-66.5	-42.5	179.2	-120	-84.9	0	0	0	112.4	F5 I6 I7 V11 L12 T13	F5-F9 PolarHBondContact O-N 3.47Å; F5-F9 VanDerWaalsContact O-N 3.15Å; I6-F9 PolarHBondContact O-N 2.97Å; I7-F9 VanDerWaalsContact C-N 3.33Å; I7-F9 PolarHBondContact O-N 3.04Å; F9-V11 VanDerWaalsContact C-N 3.33Å; F9-V11 PolarHBondContact O-N 3.36Å; F9-L12 PolarHBondContact O-N 3.43Å; F9-T13 HydrophobicContact CD1-CG2 4.36Å; F9-T13 WeakPolarHBondContact O-CG2 3.37Å; F9-T13 PolarHBondContact O-N 3.05Å; F9-T13 PolarHBondContact O-OG1 2.94Å; F9-T13 VanDerWaalsContact O-OG1 3.05Å
10	V	75.9	Confident	66.7	Low	84 Å²	84	121.8 Å²	121.8	51%	0.509	65%	0.65	S	S	.	*	H	α-helix	trans	-63.7	-40.1	177.7	173.1	0	0	0	0	111.2	I6 I7 T13 C14	I6-V10 HydrophobicContact CG2-CG2 4.46Å; I6-V10 WeakPolarHBondContact O-CG2 3.43Å; I6-V10 PolarHBondContact O-N 3.47Å; I7-V10 PolarHBondContact O-N 3.28Å; V10-T13 PolarHBondContact O-OG1 3.49Å; V10-C14 WeakPolarHBondContact O-CB 3.1Å; V10-C14 PolarHBondContact O-N 3.31Å; V10-C14 VanDerWaalsContact O-N 3.09Å
11	V	76	Confident	65.8	Low	71 Å²	71	124.4 Å²	124.4	43%	0.43	66%	0.659	S	S	.	*	H	α-helix	trans	-66.4	-45.2	176.4	176.6	0	0	0	0	110.6	I7 L8 F9 T13 C14 F15	I7-V11 HydrophobicContact CG2-CG2 4.38Å; I7-V11 VanDerWaalsContact O-CG2 3.27Å; I7-V11 WeakPolarHBondContact O-CG2 3.46Å; I7-V11 PolarHBondContact O-N 3.4Å; L8-V11 PolarHBondContact O-N 3.32Å; F9-V11 VanDerWaalsContact C-N 3.33Å; F9-V11 PolarHBondContact O-N 3.36Å; V11-T13 PolarHBondContact O-N 3.46Å; V11-C14 PolarHBondContact O-N 3.05Å; V11-F15 HydrophobicContact CG1-CD2 3.83Å; V11-F15 HydrophobicContact CG1-CE2 3.51Å; V11-F15 WeakPolarHBondContact O-CD2 3.46Å; V11-F15 PolarHBondContact O-N 3.34Å
12	L	70.1	Confident	65.2	Low	104 Å²	104	118.1 Å²	118.1	55%	0.545	63%	0.634	S	S	.	*	H	α-helix	trans	-61.3	-41.7	177.2	-90.5	153.5	0	0	0	112.9	L8 F9 F15	L8-L12 HydrophobicContact CD2-CD1 4.04Å; L8-L12 HydrophobicContact CG-CD1 4.06Å; L8-L12 WeakPolarHBondContact O-CB 3.27Å; L8-L12 PolarHBondContact O-N 2.97Å; F9-L12 PolarHBondContact O-N 3.43Å; L12-F15 PolarHBondContact O-N 3.46Å
13	T	70.8	Confident	63.9	Low	76 Å²	76	120.1 Å²	120.1	47%	0.466	64%	0.643	S	S	.	*	H	α-helix	trans	-74.8	-26.8	179.6	53.3	0	0	0	0	113.4	F9 V10 V11 T16	F9-T13 HydrophobicContact CD1-CG2 4.36Å; F9-T13 WeakPolarHBondContact O-CG2 3.37Å; F9-T13 PolarHBondContact O-N 3.05Å; F9-T13 PolarHBondContact O-OG1 2.94Å; F9-T13 VanDerWaalsContact O-OG1 3.05Å; V10-T13 PolarHBondContact O-OG1 3.49Å; V11-T13 PolarHBondContact O-N 3.46Å; T13-T16 PolarHBondContact O-OG1 3.2Å
14	C	65.3	Low	62.2	Low	88 Å²	88	121.7 Å²	121.7	60%	0.595	65%	0.645	S	S	*	*	H	α-helix	trans	-72.3	-28.9	175.1	-97.1	0	0	0	0	112.9	V10 V11	V10-C14 WeakPolarHBondContact O-CB 3.1Å; V10-C14 PolarHBondContact O-N 3.31Å; V10-C14 VanDerWaalsContact O-N 3.09Å; V11-C14 PolarHBondContact O-N 3.05Å
15	F	59.7	Low	60.4	Low	156 Å²	156	125.7 Å²	125.7	68%	0.684	66%	0.658	S	S	*	*	H	α-helix	trans	-81.4	-15.1	178.4	-75.5	-65.1	0	0	0	113.9	V11 L12 E17	V11-F15 HydrophobicContact CG1-CD2 3.83Å; V11-F15 HydrophobicContact CG1-CE2 3.51Å; V11-F15 WeakPolarHBondContact O-CD2 3.46Å; V11-F15 PolarHBondContact O-N 3.34Å; L12-F15 PolarHBondContact O-N 3.46Å; F15-E17 VanDerWaalsContact C-N 3.33Å; F15-E17 PolarHBondContact O-N 3.09Å
16	T	57.7	Low	58.9	Low	108 Å²	108	124.4 Å²	124.4	66%	0.663	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-4.9	-178.6	47.8	0	0	0	0	115.1	T13	T13-T16 PolarHBondContact O-OG1 3.2Å
17	E	56.3	Low	57.4	Low	173 Å²	173	125.2 Å²	125.2	81%	0.808	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	4.1	175.9	-67.1	-156.2	165	0	0	114.6	F15	F15-E17 VanDerWaalsContact C-N 3.33Å; F15-E17 PolarHBondContact O-N 3.09Å
18	W	50.9	Low	55.6	Low	231 Å²	231	128.3 Å²	128.3	88%	0.875	69%	0.685	S	S	*	*	S	Bend	trans	-119.8	67.9	-178.6	-73.4	63.1	0	0	0	111.1
19	S	45.2	Very low	53.8	Low	108 Å²	108	127.9 Å²	127.9	76%	0.755	69%	0.69	S	S	*	*			trans	-164.8	81.9	168.1	-174.2	0	0	0	0	111.1
20	L	43.7	Very low	52.1	Low	159 Å²	159	131.1 Å²	131.1	83%	0.832	70%	0.7	S	S	*	*			trans	-146.9	65.2	146.6	-155.5	81.6	0	0	0	108.3	T22	L20-T22 PolarHBondContact O-N 3.29Å
21	E	47.6	Very low	50.8	Low	178 Å²	178	133 Å²	133	83%	0.832	71%	0.706	S	S	*	*			trans	-83.1	92.4	162.8	-164.3	166.6	-153.2	0	0	106.3	T23	E21-T23 VanDerWaalsContact C-N 3.3Å; E21-T23 PolarHBondContact O-N 3.1Å; E21-T23 PolarHBondContact O-OG1 3.32Å
22	T	43.1	Very low	49	Very low	107 Å²	107	137.1 Å²	137.1	66%	0.656	73%	0.725	S	S	*	*			trans	-70	89.3	179	-35.4	0	0	0	0	108.8	L20 T24	L20-T22 PolarHBondContact O-N 3.29Å; T22-T24 HydrophobicContact CG2-CG2 4.28Å; T22-T24 PolarHBondContact O-N 2.88Å; T22-T24 VanDerWaalsContact O-N 3.1Å
23	T	41.6	Very low	47.6	Very low	117 Å²	117	135 Å²	135	72%	0.718	72%	0.72	S	S	*	*			trans	-74.1	88.3	168.7	-9.4	0	0	0	0	108.2	E21 N25	E21-T23 VanDerWaalsContact C-N 3.3Å; E21-T23 PolarHBondContact O-N 3.1Å; E21-T23 PolarHBondContact O-OG1 3.32Å; T23-N25 PolarHBondContact O-N 3.34Å
24	T	41.2	Very low	46.4	Very low	107 Å²	107	138.4 Å²	138.4	66%	0.656	74%	0.74	S	S	*	*			trans	-84.8	92.6	164.6	46.4	0	0	0	0	108.8	T22 T26	T22-T24 HydrophobicContact CG2-CG2 4.28Å; T22-T24 PolarHBondContact O-N 2.88Å; T22-T24 VanDerWaalsContact O-N 3.1Å; T24-T26 PolarHBondContact O-N 3.21Å; T24-T26 VanDerWaalsContact O-N 3.16Å
25	N	39.6	Very low	45.6	Very low	147 Å²	147	141.8 Å²	141.8	79%	0.786	75%	0.747	S	S	*	*			trans	-58.2	107.8	154.4	-72.5	-27.5	0	0	0	107.6	T23	T23-N25 PolarHBondContact O-N 3.34Å
26	T	43.8	Very low	44.9	Very low	121 Å²	121	141.5 Å²	141.5	74%	0.742	76%	0.759	S	S	*	*			trans	-120.8	106.2	164.3	12.3	0	0	0	0	108.4	T24	T24-T26 PolarHBondContact O-N 3.21Å; T24-T26 VanDerWaalsContact O-N 3.16Å
27	T	45.9	Very low	44.3	Very low	133 Å²	133	141.8 Å²	141.8	82%	0.816	75%	0.752	S	S	*	*			trans	-51.8	129.1	175.4	-36.3	0	0	0	0	111.2	S29	T27-S29 PolarHBondContact O-N 3.16Å
28	E	40.7	Very low	44.3	Very low	179 Å²	179	138.8 Å²	138.8	84%	0.836	75%	0.751	S	S	*	*			trans	-65.7	110	164.4	-66.7	-179.2	164.1	0	0	108.6
29	S	40.1	Very low	44.5	Very low	94 Å²	94	134.9 Å²	134.9	66%	0.657	75%	0.747	S	S	*	*			trans	-96.4	104	164.6	78.4	0	0	0	0	109.3	T27 I31	T27-S29 PolarHBondContact O-N 3.16Å; S29-I31 PolarHBondContact O-N 3.48Å
30	Y	40	Very low	45.2	Very low	213 Å²	213	137.3 Å²	137.3	84%	0.835	75%	0.75	S	S	*	*			trans	-64	113.2	160.5	-108.6	-98.4	0	0	0	108.5
31	I	46.8	Very low	46	Very low	124 Å²	124	137.7 Å²	137.7	64%	0.636	75%	0.752	S	S	*	*			trans	-124.5	106.5	165.7	-54.9	178.9	0	0	0	107.4	S29 S33	S29-I31 PolarHBondContact O-N 3.48Å; I31-S33 PolarHBondContact O-N 3.33Å
32	N	39.5	Very low	46.3	Very low	157 Å²	157	137.5 Å²	137.5	84%	0.84	75%	0.752	S	S	*	*			trans	-61.1	111.1	166.8	-80.7	-16.5	0	0	0	108.9
33	S	40.6	Very low	47.1	Very low	60 Å²	60	136.8 Å²	136.8	42%	0.42	76%	0.756	S	S	.	*			trans	-134.7	97.3	174.4	-124.2	0	0	0	0	108.9	I31 E35 Q37	I31-S33 PolarHBondContact O-N 3.33Å; S33-E35 VanDerWaalsContact C-N 3.33Å; S33-E35 PolarHBondContact O-N 3.31Å; S33-E35 VanDerWaalsContact O-N 3.1Å; S33-Q37 WeakPolarHBondContact O-CG 3.37Å; S33-Q37 PolarHBondContact O-OE1 3.49Å; S33-Q37 VanDerWaalsContact O-OE1 3.1Å
34	T	45.4	Very low	47.8	Very low	146 Å²	146	138.1 Å²	138.1	90%	0.896	76%	0.758	S	S	*	*			trans	-73.8	86.3	163.1	44.8	0	0	0	0	108.9
35	E	48.2	Very low	48.3	Very low	159 Å²	159	143.5 Å²	143.5	74%	0.743	77%	0.768	S	S	*	*	S	Bend	trans	-171.4	99.8	164.8	-116.1	177.3	-179.6	0	0	108.4	S33 Q37	S33-E35 VanDerWaalsContact C-N 3.33Å; S33-E35 PolarHBondContact O-N 3.31Å; S33-E35 VanDerWaalsContact O-N 3.1Å; E35-Q37 VanDerWaalsContact C-N 3.26Å; E35-Q37 WeakPolarHBondContact O-CA 3.45Å; E35-Q37 VanDerWaalsContact O-CG 3.29Å; E35-Q37 WeakPolarHBondContact O-CG 3.44Å; E35-Q37 PolarHBondContact O-N 3.29Å
36	T	44.9	Very low	49.1	Very low	151 Å²	151	143 Å²	143	93%	0.926	76%	0.76	S	S	*	*			trans	25.7	57	170.1	57.2	0	0	0	0	115.1	S38	T36-S38 PolarHBondContact O-N 3.08Å
37	Q	45.9	Very low	49.5	Very low	114 Å²	114	140.9 Å²	140.9	53%	0.533	75%	0.751	S	S	.	*			trans	-78.3	113.5	-170.8	-70.8	-167.6	-57.4	0	0	109.8	S33 E35 N39	S33-Q37 WeakPolarHBondContact O-CG 3.37Å; S33-Q37 PolarHBondContact O-OE1 3.49Å; S33-Q37 VanDerWaalsContact O-OE1 3.1Å; E35-Q37 VanDerWaalsContact C-N 3.26Å; E35-Q37 WeakPolarHBondContact O-CA 3.45Å; E35-Q37 VanDerWaalsContact O-CG 3.29Å; E35-Q37 WeakPolarHBondContact O-CG 3.44Å; E35-Q37 PolarHBondContact O-N 3.29Å; Q37-N39 PolarHBondContact O-N 3.1Å; Q37-N39 VanDerWaalsContact O-N 3.1Å
38	S	56.1	Low	50.4	Low	110 Å²	110	140 Å²	140	77%	0.769	74%	0.741	S	S	*	*			trans	-53.8	116.6	159.8	53.7	0	0	0	0	108.1	T36 L40	T36-S38 PolarHBondContact O-N 3.08Å; S38-L40 PolarHBondContact O-N 3.1Å
39	N	54.2	Low	52.4	Low	149 Å²	149	132.1 Å²	132.1	80%	0.797	70%	0.704	S	S	*	*			trans	-59.6	109.5	173	-71.4	-36.6	0	0	0	108	Q37 L41	Q37-N39 PolarHBondContact O-N 3.1Å; Q37-N39 VanDerWaalsContact O-N 3.1Å; N39-L41 PolarHBondContact O-N 3.2Å
40	L	61	Low	54.9	Low	158 Å²	158	128.1 Å²	128.1	83%	0.827	68%	0.676	S	S	*	*			trans	-64.4	110.4	172.9	-161.3	121.9	0	0	0	106.8	S38 Q42	S38-L40 PolarHBondContact O-N 3.1Å; L40-Q42 PolarHBondContact O-N 3.29Å
41	L	60.2	Low	57.4	Low	167 Å²	167	118 Å²	118	87%	0.874	64%	0.636	S	S	*	*			trans	-70	96.5	175.9	-74.3	160.3	0	0	0	107.7	N39 A43	N39-L41 PolarHBondContact O-N 3.2Å; L41-A43 PolarHBondContact O-N 2.95Å
42	Q	54.3	Low	59.8	Low	175 Å²	175	116.1 Å²	116.1	82%	0.818	62%	0.621	S	S	*	*			trans	-72.1	114.2	171.7	-168.7	171.9	11.3	0	0	108.5	L40	L40-Q42 PolarHBondContact O-N 3.29Å
43	A	59.1	Low	62.5	Low	92 Å²	92	108.7 Å²	108.7	76%	0.76	58%	0.581	S	S	*	*			trans	-102.5	131.8	172.6	0	0	0	0	0	109.3	L41 Y45	L41-A43 PolarHBondContact O-N 2.95Å; A43-Y45 PolarHBondContact O-N 3.47Å
44	I	56.1	Low	65.2	Low	145 Å²	145	108.6 Å²	108.6	74%	0.744	57%	0.572	S	S	*	*			trans	-77.1	120.8	167.7	-60.1	174.5	0	0	0	106.9	Q46	I44-Q46 HydrophobicContact CG2-CG 4.02Å; I44-Q46 PolarHBondContact O-N 2.85Å
45	Y	52.2	Low	67.6	Low	220 Å²	220	101.7 Å²	101.7	86%	0.863	53%	0.53	S	S	*	.			trans	-70.3	83.4	171	-169.9	-93	0	0	0	108.9	A43	A43-Y45 PolarHBondContact O-N 3.47Å
46	Q	55	Low	69.8	Low	135 Å²	135	96.4 Å²	96.4	63%	0.631	51%	0.509	S	S	*	.			trans	-78.5	136.6	161.2	-68.6	-175	-7.3	0	0	107	I44 L48	I44-Q46 HydrophobicContact CG2-CG 4.02Å; I44-Q46 PolarHBondContact O-N 2.85Å; Q46-L48 VanDerWaalsContact C-N 3.28Å; Q46-L48 WeakPolarHBondContact O-CG 3.25Å; Q46-L48 PolarHBondContact O-N 3.04Å
47	S	54	Low	72	Confident	78 Å²	78	92.9 Å²	92.9	55%	0.545	48%	0.481	S	S	.	.			trans	-59.1	98.6	169.4	61.4	0	0	0	0	107.5	D49	S47-D49 PolarHBondContact O-N 2.76Å
48	L	64.6	Low	74	Confident	115 Å²	115	95.6 Å²	95.6	60%	0.602	49%	0.491	S	S	*	.			trans	-74.1	106.9	-174.7	-66.8	168	0	0	0	107.1	Q46 C50	Q46-L48 VanDerWaalsContact C-N 3.28Å; Q46-L48 WeakPolarHBondContact O-CG 3.25Å; Q46-L48 PolarHBondContact O-N 3.04Å; L48-C50 WeakPolarHBondContact CB-SG 3.36Å; L48-C50 PolarHBondContact O-N 2.7Å
49	D	82.8	Confident	75.4	Confident	12 Å²	12	94.2 Å²	94.2	6%	0.064	50%	0.495	C	S	.	.			trans	-66.5	90.9	166.3	-70.9	-37.1	0	0	0	107.2	S47 H87 S89 R94 W96	S47-D49 PolarHBondContact O-N 2.76Å; D49-H87 IonicContact OD1-ND1 3.88Å; D49-S89 VanDerWaalsContact OD1-CB 3.25Å; D49-S89 WeakPolarHBondContact OD1-CB 3.45Å; D49-S89 PolarHBondContact OD1-OG 3.31Å; D49-S89 WeakPolarHBondContact OD2-CB 3.47Å; D49-S89 PolarHBondContact OD2-OG 2.85Å; D49-R94 VanDerWaalsContact OD2-CD 3.31Å; D49-R94 WeakPolarHBondContact OD2-CD 3.37Å; D49-R94 IonicContact OD2-CZ 3.76Å; D49-R94 IonicContact OD2-NE 3.53Å; D49-R94 IonicContact OD2-NH1 2.7Å; D49-R94 PolarHBondContact OD2-NH1 2.91Å; D49-W96 VanDerWaalsContact O-CZ2 3.24Å; D49-W96 WeakPolarHBondContact O-CZ2 3.1Å
50	C	91.3	Very high	77.1	Confident	11 Å²	11	94.3 Å²	94.3	7%	0.074	48%	0.484	C	S	.	.			trans	-116.1	157.5	175.6	-45.9	0	0	0	0	110.5	L48 D65 V66 C67 H87	L48-C50 WeakPolarHBondContact CB-SG 3.36Å; L48-C50 PolarHBondContact O-N 2.7Å; C50-D65 HydrophobicContact CB-CB 4.05Å; C50-V66 WeakPolarHBondContact CA-O 3.31Å; C50-V66 WeakPolarHBondContact CB-O 3.08Å; C50-C67 HydrophobicContact CB-CB 3.97Å; C50-C67 WeakPolarHBondContact CB-SG 3.14Å; C50-C67 VanDerWaalsContact SG-CA 3.56Å; C50-C67 WeakPolarHBondContact SG-CB 3.49Å; C50-C67 CovalentContact SG-SG 2.03Å; C50-C67 PolarHBondContact SG-SG 3.38Å; C50-H87 PolarHBondContact O-N 2.79Å
51	V	93.8	Very high	78.4	Confident	0 Å²	0	93.3 Å²	93.3	0%	0	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	125.9	163.1	169.5	0	0	0	0	108.8	L53 D65 V66 I84 C85 A86 W96 L111 I131	V51-L53 HydrophobicContact CG1-CD2 3.86Å; V51-D65 CarbonylContact O-C 3.56Å; V51-D65 WeakPolarHBondContact O-CA 3.29Å; V51-V66 PolarHBondContact N-O 2.76Å; V51-V66 PolarHBondContact O-N 3.19Å; V51-I84 HydrophobicContact CG1-CG2 3.24Å; V51-C85 CarbonylContact C-O 3.56Å; V51-C85 WeakPolarHBondContact CA-O 3.15Å; V51-A86 HydrophobicContact CG2-CB 4.45Å; V51-W96 HydrophobicContact CB-CD2 4.36Å; V51-W96 HydrophobicContact CG2-CB 3.7Å; V51-W96 VanDerWaalsContact CG2-CD1 3.41Å; V51-W96 HydrophobicContact CG2-CD2 3.2Å; V51-W96 VanDerWaalsContact CG2-CE2 3.48Å; V51-W96 HydrophobicContact CG2-CE3 3.74Å; V51-W96 HydrophobicContact CG2-CG 3.16Å; V51-W96 HydrophobicContact CG2-CZ2 4.18Å; V51-W96 HydrophobicContact CG2-CZ3 4.37Å; V51-L111 HydrophobicContact CG1-CD2 4.28Å; V51-L111 HydrophobicContact CG2-CD2 4.08Å; V51-I131 HydrophobicContact CG1-CD1 4.35Å
52	R	95.7	Very high	80.1	Confident	85 Å²	85	87.9 Å²	87.9	32%	0.321	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	122.9	171.6	-171	164.6	-75.7	173.2	0.2	110.4	Y54 W63 T64 D65 I84 C85	R52-Y54 HydrophobicContact CB-CE2 4.03Å; R52-Y54 WeakPolarHBondContact CD-OH 3.46Å; R52-Y54 HydrophobicContact CG-CD2 4.11Å; R52-Y54 HydrophobicContact CG-CE1 4.2Å; R52-Y54 HydrophobicContact CG-CE2 3.58Å; R52-W63 HydrophobicContact CG-CB 3.85Å; R52-W63 HydrophobicContact CG-CG 4.33Å; R52-T64 WeakPolarHBondContact CA-O 3.31Å; R52-D65 WeakPolarHBondContact CA-OD1 3.08Å; R52-D65 WeakPolarHBondContact CB-OD1 3.49Å; R52-D65 VanDerWaalsContact CG-OD1 3.27Å; R52-D65 WeakPolarHBondContact CG-OD1 3.47Å; R52-D65 IonicContact CZ-OD1 3.54Å; R52-D65 IonicContact CZ-OD2 3.53Å; R52-D65 IonicContact NE-OD1 2.73Å; R52-D65 PolarHBondContact NE-OD1 3.22Å; R52-D65 IonicContact NE-OD2 3.44Å; R52-D65 PolarHBondContact NE-OD2 2.04Å; R52-D65 IonicContact NH2-OD1 3.5Å; R52-D65 IonicContact NH2-OD2 2.76Å; R52-D65 PolarHBondContact NH2-OD2 2.86Å; R52-I84 WeakPolarHBondContact O-CA 3.14Å; R52-C85 PolarHBondContact N-O 2.81Å; R52-C85 PolarHBondContact O-N 3.29Å
53	L	97	Very high	82	Confident	0 Å²	0	83 Å²	83	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.8	171.3	-51.7	-179.4	0	0	0	108.8	V51 W63 T64 V66 I73 F77 T81 I84 V128 I131	V51-L53 HydrophobicContact CG1-CD2 3.86Å; L53-W63 CarbonylContact O-C 3.44Å; L53-W63 WeakPolarHBondContact O-CA 3.02Å; L53-W63 VanDerWaalsContact O-CB 3.32Å; L53-W63 WeakPolarHBondContact O-CB 3.04Å; L53-T64 HydrophobicContact CB-CG2 4.01Å; L53-T64 HydrophobicContact CD1-CG2 4.02Å; L53-T64 HydrophobicContact CG-CG2 4.26Å; L53-T64 PolarHBondContact N-O 3.42Å; L53-T64 PolarHBondContact O-N 3.44Å; L53-V66 HydrophobicContact CD1-CG2 4.16Å; L53-V66 HydrophobicContact CG-CG2 4.47Å; L53-I73 HydrophobicContact CD1-CD1 4.43Å; L53-I73 HydrophobicContact CD1-CG2 3.95Å; L53-F77 HydrophobicContact CB-CD1 3.92Å; L53-F77 HydrophobicContact CB-CE1 4.45Å; L53-F77 HydrophobicContact CD1-CB 4.25Å; L53-T81 HydrophobicContact CB-CG2 3.98Å; L53-T81 HydrophobicContact CD2-CG2 4.22Å; L53-I84 HydrophobicContact CD2-CB 4.34Å; L53-I84 HydrophobicContact CD2-CD1 3.79Å; L53-I84 HydrophobicContact CD2-CG1 3.7Å; L53-I84 HydrophobicContact CD2-CG2 3.87Å; L53-V128 HydrophobicContact CD1-CG1 4.24Å; L53-V128 HydrophobicContact CD2-CG1 4.28Å; L53-I131 HydrophobicContact CD1-CD1 3.93Å; L53-I131 HydrophobicContact CD2-CD1 3.7Å; L53-I131 HydrophobicContact CG-CD1 4.2Å
54	Y	96.9	Very high	83.8	Confident	59 Å²	59	80.9 Å²	80.9	23%	0.231	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.2	175.1	-64.6	-91.5	0	0	0	110.3	R52 Y62 W63 T81 N82 T83 C85	R52-Y54 HydrophobicContact CB-CE2 4.03Å; R52-Y54 WeakPolarHBondContact CD-OH 3.46Å; R52-Y54 HydrophobicContact CG-CD2 4.11Å; R52-Y54 HydrophobicContact CG-CE1 4.2Å; R52-Y54 HydrophobicContact CG-CE2 3.58Å; Y54-Y62 WeakPolarHBondContact CA-O 3.42Å; Y54-W63 HydrophobicContact CD1-CB 3.68Å; Y54-W63 HydrophobicContact CE1-CB 3.83Å; Y54-W63 HydrophobicContact CE1-CG 4.33Å; Y54-W63 HydrophobicContact CG-CB 4.33Å; Y54-T81 WeakPolarHBondContact O-CA 3.39Å; Y54-N82 PolarHBondContact O-N 2.92Å; Y54-T83 HydrophobicContact CD2-CG2 4.08Å; Y54-T83 PolarHBondContact N-O 2.81Å; Y54-T83 PolarHBondContact O-N 2.75Å; Y54-C85 HydrophobicContact CE2-CB 4.24Å
55	A	96	Very high	85.6	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.4	178.1	0	0	0	0	0	109.7	Y62 Y76 F77 Y80	A55-Y62 PolarHBondContact N-O 3.48Å; A55-Y62 PolarHBondContact O-N 3.13Å; A55-Y76 HydrophobicContact CB-CD1 4.42Å; A55-Y76 HydrophobicContact CB-CE1 3.56Å; A55-Y76 WeakPolarHBondContact CB-OH 3.45Å; A55-Y76 PolarHBondContact O-OH 2.73Å; A55-F77 HydrophobicContact CB-CD1 3.76Å; A55-F77 HydrophobicContact CB-CE1 3.84Å; A55-Y80 WeakPolarHBondContact CA-O 3.32Å; A55-Y80 WeakPolarHBondContact CB-O 3.04Å
56	P	94.1	Very high	87.5	Confident	48 Å²	48	67.2 Å²	67.2	31%	0.312	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	145.3	175.4	32.4	-30.1	0	0	0	111.2	R60 Y61 Y76 Y80	P56-R60 CarbonylContact C-O 3.5Å; P56-R60 VanDerWaalsContact CA-O 3.28Å; P56-R60 WeakPolarHBondContact CA-O 3.04Å; P56-Y61 HydrophobicContact CB-CD1 4.32Å; P56-Y61 HydrophobicContact CB-CE1 4.09Å; P56-Y76 PolarHBondContact O-OH 3.23Å; P56-Y80 WeakPolarHBondContact CD-O 3.38Å
57	F	90.7	Very high	89.3	Confident	77 Å²	77	63 Å²	63	34%	0.338	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	124.4	170	-176.9	-110.1	0	0	0	109.3	G59 R60 Y62 Y76	F57-G59 VanDerWaalsContact C-N 3.28Å; F57-G59 PolarHBondContact O-N 2.8Å; F57-R60 PolarHBondContact N-O 3.25Å; F57-R60 PolarHBondContact O-N 3.17Å; F57-Y62 HydrophobicContact CB-CD2 3.66Å; F57-Y62 HydrophobicContact CB-CE2 3.58Å; F57-Y62 AromaticContact CD1-CE2 3.77Å; F57-Y62 HydrophobicContact CD1-CE2 3.77Å; F57-Y62 HydrophobicContact CG-CE2 4.15Å; F57-Y76 HydrophobicContact CB-CE2 4.28Å; F57-Y76 VanDerWaalsContact CB-OH 3.31Å; F57-Y76 WeakPolarHBondContact CB-OH 3.33Å; F57-Y76 HydrophobicContact CD2-CE2 4.13Å
58	F	88.9	Confident	91	Very high	171 Å²	171	63.7 Å²	63.7	75%	0.75	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.3	47.5	-176.8	-63	-62.8	0	0	0	114.7	R60	F58-R60 PolarHBondContact O-N 3.37Å
59	G	85.5	Confident	92.4	Very high	81 Å²	81	58.9 Å²	58.9	84%	0.835	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	2	178.1	0	0	0	0	0	115.3	F57	F57-G59 VanDerWaalsContact C-N 3.28Å; F57-G59 PolarHBondContact O-N 2.8Å
60	R	90	Very high	92.9	Very high	152 Å²	152	61.3 Å²	61.3	57%	0.574	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	152.4	173.6	-60.6	-176.4	180	-143.4	-1	110.2	P56 F57 F58 Y62	P56-R60 CarbonylContact C-O 3.5Å; P56-R60 VanDerWaalsContact CA-O 3.28Å; P56-R60 WeakPolarHBondContact CA-O 3.04Å; F57-R60 PolarHBondContact N-O 3.25Å; F57-R60 PolarHBondContact O-N 3.17Å; F58-R60 PolarHBondContact O-N 3.37Å; R60-Y62 HydrophobicContact CB-CE2 4.07Å
61	Y	88.7	Confident	93.1	Very high	136 Å²	136	61.9 Å²	61.9	53%	0.533	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.6	171.1	-76.9	-88.2	0	0	0	109.9	P56	P56-Y61 HydrophobicContact CB-CD1 4.32Å; P56-Y61 HydrophobicContact CB-CE1 4.09Å
62	Y	94.9	Very high	93.1	Very high	53 Å²	53	66 Å²	66	21%	0.208	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	153.2	167.9	-67.5	-97.9	0	0	0	108.3	Y54 A55 F57 R60 L183	Y54-Y62 WeakPolarHBondContact CA-O 3.42Å; A55-Y62 PolarHBondContact N-O 3.48Å; A55-Y62 PolarHBondContact O-N 3.13Å; F57-Y62 HydrophobicContact CB-CD2 3.66Å; F57-Y62 HydrophobicContact CB-CE2 3.58Å; F57-Y62 AromaticContact CD1-CE2 3.77Å; F57-Y62 HydrophobicContact CD1-CE2 3.77Å; F57-Y62 HydrophobicContact CG-CE2 4.15Å; R60-Y62 HydrophobicContact CB-CE2 4.07Å; Y62-L183 HydrophobicContact CD1-CB 3.73Å; Y62-L183 HydrophobicContact CD1-CD1 4.12Å; Y62-L183 HydrophobicContact CE1-CB 4.21Å
63	W	95.6	Very high	93	Very high	73 Å²	73	62.2 Å²	62.2	28%	0.277	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	156.9	176.8	63.9	91.3	0	0	0	112.6	R52 L53 Y54 L183	R52-W63 HydrophobicContact CG-CB 3.85Å; R52-W63 HydrophobicContact CG-CG 4.33Å; L53-W63 CarbonylContact O-C 3.44Å; L53-W63 WeakPolarHBondContact O-CA 3.02Å; L53-W63 VanDerWaalsContact O-CB 3.32Å; L53-W63 WeakPolarHBondContact O-CB 3.04Å; Y54-W63 HydrophobicContact CD1-CB 3.68Å; Y54-W63 HydrophobicContact CE1-CB 3.83Å; Y54-W63 HydrophobicContact CE1-CG 4.33Å; Y54-W63 HydrophobicContact CG-CB 4.33Å; W63-L183 WeakPolarHBondContact O-CD2 3.24Å
64	T	95.4	Very high	92.9	Very high	48 Å²	48	65.8 Å²	65.8	29%	0.294	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	146.5	168.7	-171.6	0	0	0	0	109.2	R52 L53 F77	R52-T64 WeakPolarHBondContact CA-O 3.31Å; L53-T64 HydrophobicContact CB-CG2 4.01Å; L53-T64 HydrophobicContact CD1-CG2 4.02Å; L53-T64 HydrophobicContact CG-CG2 4.26Å; L53-T64 PolarHBondContact N-O 3.42Å; L53-T64 PolarHBondContact O-N 3.44Å; T64-F77 HydrophobicContact CG2-CB 4.39Å; T64-F77 HydrophobicContact CG2-CD1 3.75Å; T64-F77 HydrophobicContact CG2-CD2 3.53Å; T64-F77 HydrophobicContact CG2-CE1 3.82Å; T64-F77 HydrophobicContact CG2-CE2 3.6Å; T64-F77 HydrophobicContact CG2-CG 3.61Å; T64-F77 HydrophobicContact CG2-CZ 3.75Å
65	D	94.6	Very high	92.8	Very high	66 Å²	66	65.8 Å²	65.8	35%	0.353	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	129.1	178.9	-70.1	-33.7	0	0	0	110	C50 V51 R52	C50-D65 HydrophobicContact CB-CB 4.05Å; V51-D65 CarbonylContact O-C 3.56Å; V51-D65 WeakPolarHBondContact O-CA 3.29Å; R52-D65 WeakPolarHBondContact CA-OD1 3.08Å; R52-D65 WeakPolarHBondContact CB-OD1 3.49Å; R52-D65 VanDerWaalsContact CG-OD1 3.27Å; R52-D65 WeakPolarHBondContact CG-OD1 3.47Å; R52-D65 IonicContact CZ-OD1 3.54Å; R52-D65 IonicContact CZ-OD2 3.53Å; R52-D65 IonicContact NE-OD1 2.73Å; R52-D65 PolarHBondContact NE-OD1 3.22Å; R52-D65 IonicContact NE-OD2 3.44Å; R52-D65 PolarHBondContact NE-OD2 2.04Å; R52-D65 IonicContact NH2-OD1 3.5Å; R52-D65 IonicContact NH2-OD2 2.76Å; R52-D65 PolarHBondContact NH2-OD2 2.86Å
66	V	93.1	Very high	92.8	Very high	12 Å²	12	67.9 Å²	67.9	7%	0.073	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	104.5	176.6	-179.4	0	0	0	0	107.5	C50 V51 L53 D68 N70 I73 W96 I131	C50-V66 WeakPolarHBondContact CA-O 3.31Å; C50-V66 WeakPolarHBondContact CB-O 3.08Å; V51-V66 PolarHBondContact N-O 2.76Å; V51-V66 PolarHBondContact O-N 3.19Å; L53-V66 HydrophobicContact CD1-CG2 4.16Å; L53-V66 HydrophobicContact CG-CG2 4.47Å; V66-D68 VanDerWaalsContact CG1-O 3.24Å; V66-D68 WeakPolarHBondContact CG1-O 3.29Å; V66-N70 HydrophobicContact CG1-CB 4.01Å; V66-I73 HydrophobicContact CG2-CD1 4.08Å; V66-W96 WeakPolarHBondContact O-CH2 3.04Å; V66-I131 HydrophobicContact CB-CD1 4.33Å; V66-I131 HydrophobicContact CG1-CB 4.33Å; V66-I131 HydrophobicContact CG1-CD1 4.36Å; V66-I131 HydrophobicContact CG1-CG2 4.41Å; V66-I131 HydrophobicContact CG2-CD1 4.17Å
67	C	91	Very high	92.9	Very high	45 Å²	45	65.9 Å²	65.9	30%	0.304	34%	0.335	S	S	.	.			trans	-98.4	-9.4	-170.5	-54.7	0	0	0	0	113.9	C50 K133	C50-C67 HydrophobicContact CB-CB 3.97Å; C50-C67 WeakPolarHBondContact CB-SG 3.14Å; C50-C67 VanDerWaalsContact SG-CA 3.56Å; C50-C67 WeakPolarHBondContact SG-CB 3.49Å; C50-C67 CovalentContact SG-SG 2.03Å; C50-C67 PolarHBondContact SG-SG 3.38Å; C67-K133 PolarHBondContact O-NZ 3.47Å
68	D	90.6	Very high	93.2	Very high	94 Å²	94	63.4 Å²	63.4	50%	0.503	33%	0.325	S	S	.	.	S	Bend	trans	-140	169.8	175.5	-154.1	-3.9	0	0	0	111.1	V66 N70	V66-D68 VanDerWaalsContact CG1-O 3.24Å; V66-D68 WeakPolarHBondContact CG1-O 3.29Å; D68-N70 PolarHBondContact O-N 3.42Å
69	S	93.6	Very high	93.5	Very high	14 Å²	14	61.4 Å²	61.4	10%	0.098	31%	0.313	C	S	.	.			trans	-56.5	120.9	173.5	-70.6	0	0	0	0	110.7	I131 K133 H147	S69-I131 CarbonylContact C-O 3.53Å; S69-I131 VanDerWaalsContact CA-O 3.31Å; S69-I131 WeakPolarHBondContact CA-O 3.03Å; S69-K133 WeakPolarHBondContact OG-CB 3.45Å; S69-K133 PolarHBondContact OG-N 2.85Å; S69-H147 WeakPolarHBondContact CB-O 3.43Å; S69-H147 PolarHBondContact OG-O 2.71Å
70	N	93.9	Very high	93.9	Very high	62 Å²	62	63 Å²	63	33%	0.332	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-123.8	117.4	-179.3	-169.6	-13.2	0	0	0	110.2	V66 D68 Y72 I73 F104 S130 I131	V66-N70 HydrophobicContact CG1-CB 4.01Å; D68-N70 PolarHBondContact O-N 3.42Å; N70-Y72 VanDerWaalsContact CG-O 3.25Å; N70-Y72 PolarHBondContact ND2-O 3.1Å; N70-Y72 VanDerWaalsContact ND2-O 3.12Å; N70-Y72 PolarHBondContact O-N 3.24Å; N70-Y72 PolarHBondContact OD1-N 2.95Å; N70-Y72 PolarHBondContact OD1-O 3.04Å; N70-I73 HydrophobicContact CB-CD1 4.18Å; N70-F104 WeakPolarHBondContact O-CE1 3.27Å; N70-S130 CarbonylContact O-C 3.48Å; N70-S130 VanDerWaalsContact O-CA 3.32Å; N70-S130 WeakPolarHBondContact O-CA 3.2Å; N70-S130 VanDerWaalsContact O-CB 3.26Å; N70-S130 WeakPolarHBondContact O-CB 3.48Å; N70-I131 PolarHBondContact N-O 2.87Å; N70-I131 PolarHBondContact O-N 2.82Å
71	S	94.5	Very high	94.3	Very high	23 Å²	23	56.1 Å²	56.1	16%	0.161	27%	0.269	C	S	.	.	S	Bend	trans	-74.8	-10.6	177.9	56.5	0	0	0	0	113.3	H102 G103 S130	S71-H102 WeakPolarHBondContact O-CA 3.4Å; S71-G103 PolarHBondContact O-N 3.19Å; S71-S130 WeakPolarHBondContact O-CB 3.44Å
72	Y	94	Very high	94.5	Very high	88 Å²	88	51.6 Å²	51.6	35%	0.345	26%	0.255	S	S	.	.			trans	-148.9	113.8	-177.2	-174	-96.2	0	0	0	112.8	N70 H102 W154	N70-Y72 VanDerWaalsContact CG-O 3.25Å; N70-Y72 PolarHBondContact ND2-O 3.1Å; N70-Y72 VanDerWaalsContact ND2-O 3.12Å; N70-Y72 PolarHBondContact O-N 3.24Å; N70-Y72 PolarHBondContact OD1-N 2.95Å; N70-Y72 PolarHBondContact OD1-O 3.04Å; Y72-H102 HydrophobicContact CD2-CB 4.14Å; Y72-W154 HydrophobicContact CD1-CH2 4.1Å; Y72-W154 AromaticContact CD2-CH2 3.31Å; Y72-W154 HydrophobicContact CD2-CH2 3.31Å; Y72-W154 AromaticContact CD2-CZ2 3.58Å; Y72-W154 HydrophobicContact CD2-CZ2 3.58Å; Y72-W154 HydrophobicContact CD2-CZ3 4.25Å; Y72-W154 AromaticContact CE2-CH2 3.99Å; Y72-W154 HydrophobicContact CE2-CH2 3.99Å; Y72-W154 HydrophobicContact CE2-CZ2 4.41Å; Y72-W154 AromaticContact CG-CH2 3.37Å; Y72-W154 HydrophobicContact CG-CH2 3.37Å; Y72-W154 AromaticContact CG-CZ2 3.92Å; Y72-W154 HydrophobicContact CG-CZ2 3.92Å; Y72-W154 HydrophobicContact CG-CZ3 4.38Å
73	I	94.8	Very high	94.6	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.021	25%	0.251	C	S	.	.			trans	-89.8	141.1	171.9	-56.7	-58	0	0	0	109.3	L53 V66 N70 F77 M78 V128 G129 I131	L53-I73 HydrophobicContact CD1-CD1 4.43Å; L53-I73 HydrophobicContact CD1-CG2 3.95Å; V66-I73 HydrophobicContact CG2-CD1 4.08Å; N70-I73 HydrophobicContact CB-CD1 4.18Å; I73-F77 HydrophobicContact CG2-CB 3.71Å; I73-M78 HydrophobicContact CG2-CB 4.48Å; I73-V128 VanDerWaalsContact CB-O 3.23Å; I73-V128 WeakPolarHBondContact CB-O 3.32Å; I73-V128 HydrophobicContact CG1-CG1 4.21Å; I73-G129 PolarHBondContact N-O 2.89Å; I73-G129 VanDerWaalsContact N-O 3.08Å; I73-I131 HydrophobicContact CD1-CD1 3.93Å; I73-I131 HydrophobicContact CD1-CG1 4.1Å; I73-I131 HydrophobicContact CG1-CD1 4.39Å; I73-I131 HydrophobicContact CG1-CG1 4.31Å
74	T	93.4	Very high	94.7	Very high	76 Å²	76	46.8 Å²	46.8	47%	0.466	24%	0.238	S	C	.	.			trans	-53.5	142.9	178.8	58.6	0	0	0	0	111.2	Y76 F77 M78	T74-Y76 VanDerWaalsContact C-N 3.28Å; T74-Y76 PolarHBondContact O-N 2.82Å; T74-Y76 VanDerWaalsContact O-N 3.09Å; T74-F77 PolarHBondContact O-N 2.87Å; T74-F77 VanDerWaalsContact O-N 3.13Å; T74-M78 PolarHBondContact O-N 2.84Å
75	P	95.3	Very high	94.7	Very high	59 Å²	59	45.4 Å²	45.4	38%	0.383	23%	0.231	S	C	.	.	H	α-helix	trans	-50.3	-41.4	-174.2	-31.4	35.5	0	0	0	115.1	M78 W79	P75-M78 PolarHBondContact O-N 2.81Å; P75-W79 PolarHBondContact O-N 2.03Å; P75-W79 VanDerWaalsContact O-N 3.11Å
76	Y	95.6	Very high	94.6	Very high	44 Å²	44	42.5 Å²	42.5	17%	0.173	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-56.5	178.6	173.3	-105.1	0	0	0	111.9	A55 P56 F57 T74 M78 W79 Y80	A55-Y76 HydrophobicContact CB-CD1 4.42Å; A55-Y76 HydrophobicContact CB-CE1 3.56Å; A55-Y76 WeakPolarHBondContact CB-OH 3.45Å; A55-Y76 PolarHBondContact O-OH 2.73Å; P56-Y76 PolarHBondContact O-OH 3.23Å; F57-Y76 HydrophobicContact CB-CE2 4.28Å; F57-Y76 VanDerWaalsContact CB-OH 3.31Å; F57-Y76 WeakPolarHBondContact CB-OH 3.33Å; F57-Y76 HydrophobicContact CD2-CE2 4.13Å; T74-Y76 VanDerWaalsContact C-N 3.28Å; T74-Y76 PolarHBondContact O-N 2.82Å; T74-Y76 VanDerWaalsContact O-N 3.09Å; Y76-M78 VanDerWaalsContact C-N 3.26Å; Y76-M78 PolarHBondContact O-N 2.9Å; Y76-W79 PolarHBondContact O-N 3.44Å; Y76-Y80 AromaticContact CD2-CD2 3.52Å; Y76-Y80 HydrophobicContact CD2-CD2 3.52Å; Y76-Y80 HydrophobicContact CD2-CE2 4.18Å; Y76-Y80 HydrophobicContact CD2-CG 4.21Å; Y76-Y80 AromaticContact CE2-CD2 3.77Å; Y76-Y80 HydrophobicContact CE2-CD2 3.77Å; Y76-Y80 HydrophobicContact CE2-CG 4Å; Y76-Y80 HydrophobicContact CG-CD2 4.4Å; Y76-Y80 WeakPolarHBondContact O-CB 3.36Å; Y76-Y80 VanDerWaalsContact O-CD2 3.29Å; Y76-Y80 WeakPolarHBondContact O-CD2 3.37Å; Y76-Y80 PolarHBondContact O-N 2.91Å
77	F	96.7	Very high	94.4	Very high	6 Å²	6	47 Å²	47	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-64.9	-31.5	176.8	-76.2	-76.9	0	0	0	112.3	L53 A55 T64 I73 T74 W79 T81 L183	L53-F77 HydrophobicContact CB-CD1 3.92Å; L53-F77 HydrophobicContact CB-CE1 4.45Å; L53-F77 HydrophobicContact CD1-CB 4.25Å; A55-F77 HydrophobicContact CB-CD1 3.76Å; A55-F77 HydrophobicContact CB-CE1 3.84Å; T64-F77 HydrophobicContact CG2-CB 4.39Å; T64-F77 HydrophobicContact CG2-CD1 3.75Å; T64-F77 HydrophobicContact CG2-CD2 3.53Å; T64-F77 HydrophobicContact CG2-CE1 3.82Å; T64-F77 HydrophobicContact CG2-CE2 3.6Å; T64-F77 HydrophobicContact CG2-CG 3.61Å; T64-F77 HydrophobicContact CG2-CZ 3.75Å; I73-F77 HydrophobicContact CG2-CB 3.71Å; T74-F77 PolarHBondContact O-N 2.87Å; T74-F77 VanDerWaalsContact O-N 3.13Å; F77-W79 VanDerWaalsContact C-N 3.34Å; F77-W79 PolarHBondContact O-N 2.78Å; F77-T81 WeakPolarHBondContact O-CB 3.5Å; F77-T81 PolarHBondContact O-N 3.04Å; F77-T81 VanDerWaalsContact O-N 3.1Å; F77-T81 PolarHBondContact O-OG1 3.19Å; F77-L183 HydrophobicContact CE2-CD1 4.34Å; F77-L183 HydrophobicContact CZ-CD1 4.3Å
78	M	96.3	Very high	94.2	Very high	25 Å²	25	52.1 Å²	52.1	12%	0.123	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-44.2	176.8	173.9	173.3	150.3	0	0	112.2	I73 T74 P75 Y76 S127 V128	I73-M78 HydrophobicContact CG2-CB 4.48Å; T74-M78 PolarHBondContact O-N 2.84Å; P75-M78 PolarHBondContact O-N 2.81Å; Y76-M78 VanDerWaalsContact C-N 3.26Å; Y76-M78 PolarHBondContact O-N 2.9Å; M78-S127 CarbonylContact O-C 3.51Å; M78-S127 WeakPolarHBondContact O-CA 3.49Å; M78-S127 WeakPolarHBondContact O-CB 3.24Å; M78-V128 VanDerWaalsContact CA-O 3.27Å; M78-V128 WeakPolarHBondContact CA-O 3.47Å; M78-V128 WeakPolarHBondContact CB-O 3.31Å; M78-V128 PolarHBondContact O-N 2.95Å
79	W	95.2	Very high	93.6	Very high	129 Å²	129	48.6 Å²	48.6	49%	0.489	23%	0.231	S	C	.	.	H	α-helix	trans	-92.8	-28.1	-175.1	-66	117.8	0	0	0	114.7	P75 Y76 F77	P75-W79 PolarHBondContact O-N 2.03Å; P75-W79 VanDerWaalsContact O-N 3.11Å; Y76-W79 PolarHBondContact O-N 3.44Å; F77-W79 VanDerWaalsContact C-N 3.34Å; F77-W79 PolarHBondContact O-N 2.78Å
80	Y	95.7	Very high	92.4	Very high	113 Å²	113	56.3 Å²	56.3	44%	0.443	26%	0.26	S	S	.	.	H	α-helix	trans	-109.4	-5.4	-171.3	-61.7	-77.5	0	0	0	114.1	A55 P56 Y76 N82	A55-Y80 WeakPolarHBondContact CA-O 3.32Å; A55-Y80 WeakPolarHBondContact CB-O 3.04Å; P56-Y80 WeakPolarHBondContact CD-O 3.38Å; Y76-Y80 AromaticContact CD2-CD2 3.52Å; Y76-Y80 HydrophobicContact CD2-CD2 3.52Å; Y76-Y80 HydrophobicContact CD2-CE2 4.18Å; Y76-Y80 HydrophobicContact CD2-CG 4.21Å; Y76-Y80 AromaticContact CE2-CD2 3.77Å; Y76-Y80 HydrophobicContact CE2-CD2 3.77Å; Y76-Y80 HydrophobicContact CE2-CG 4Å; Y76-Y80 HydrophobicContact CG-CD2 4.4Å; Y76-Y80 WeakPolarHBondContact O-CB 3.36Å; Y76-Y80 VanDerWaalsContact O-CD2 3.29Å; Y76-Y80 WeakPolarHBondContact O-CD2 3.37Å; Y76-Y80 PolarHBondContact O-N 2.91Å; Y80-N82 PolarHBondContact O-N 3.02Å
81	T	96.6	Very high	91.1	Very high	9 Å²	9	60.4 Å²	60.4	6%	0.055	28%	0.281	C	S	.	.			trans	-59.8	126.5	174.6	-64.1	0	0	0	0	110.3	L53 Y54 F77 T83 I84 L120 V128	L53-T81 HydrophobicContact CB-CG2 3.98Å; L53-T81 HydrophobicContact CD2-CG2 4.22Å; Y54-T81 WeakPolarHBondContact O-CA 3.39Å; F77-T81 WeakPolarHBondContact O-CB 3.5Å; F77-T81 PolarHBondContact O-N 3.04Å; F77-T81 VanDerWaalsContact O-N 3.1Å; F77-T81 PolarHBondContact O-OG1 3.19Å; T81-T83 WeakPolarHBondContact CG2-O 3.28Å; T81-I84 HydrophobicContact CG2-CD1 4.27Å; T81-I84 HydrophobicContact CG2-CG1 3.69Å; T81-L120 HydrophobicContact CG2-CD1 3.81Å; T81-V128 HydrophobicContact CG2-CG2 4.07Å
82	N	94.8	Very high	89.7	Confident	41 Å²	41	64.5 Å²	64.5	22%	0.219	30%	0.296	C	S	.	.			trans	-120	-22.1	179.3	-170.4	33.5	0	0	0	112.7	Y54 Y80 N119 L120	Y54-N82 PolarHBondContact O-N 2.92Å; Y80-N82 PolarHBondContact O-N 3.02Å; N82-N119 WeakPolarHBondContact O-CA 3.49Å; N82-N119 PolarHBondContact O-N 2.92Å; N82-N119 WeakPolarHBondContact OD1-CA 3.39Å; N82-L120 PolarHBondContact O-N 2.77Å; N82-L120 VanDerWaalsContact O-N 3.16Å
83	T	96.4	Very high	88.8	Confident	22 Å²	22	63 Å²	63	14%	0.135	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139.1	176.8	-63.5	0	0	0	0	109.4	Y54 T81 I117 R118	Y54-T83 HydrophobicContact CD2-CG2 4.08Å; Y54-T83 PolarHBondContact N-O 2.81Å; Y54-T83 PolarHBondContact O-N 2.75Å; T81-T83 WeakPolarHBondContact CG2-O 3.28Å; T83-I117 VanDerWaalsContact CA-O 3.3Å; T83-I117 WeakPolarHBondContact CA-O 3.18Å; T83-R118 HydrophobicContact CG2-CG 4.03Å
84	I	96.5	Very high	88.2	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.7	176.1	-57	-176.6	0	0	0	108.3	V51 R52 L53 T81 V98 L111 C116 I117 L120 V128	V51-I84 HydrophobicContact CG1-CG2 3.24Å; R52-I84 WeakPolarHBondContact O-CA 3.14Å; L53-I84 HydrophobicContact CD2-CB 4.34Å; L53-I84 HydrophobicContact CD2-CD1 3.79Å; L53-I84 HydrophobicContact CD2-CG1 3.7Å; L53-I84 HydrophobicContact CD2-CG2 3.87Å; T81-I84 HydrophobicContact CG2-CD1 4.27Å; T81-I84 HydrophobicContact CG2-CG1 3.69Å; I84-V98 HydrophobicContact CD1-CB 4.38Å; I84-V98 HydrophobicContact CD1-CG1 3.72Å; I84-V98 HydrophobicContact CD1-CG2 4.04Å; I84-L111 HydrophobicContact CB-CD2 4.48Å; I84-L111 HydrophobicContact CG2-CD2 3.49Å; I84-L111 VanDerWaalsContact CG2-CD2 3.49Å; I84-C116 CarbonylContact O-C 3.49Å; I84-C116 VanDerWaalsContact O-CA 3.29Å; I84-C116 WeakPolarHBondContact O-CA 3.35Å; I84-I117 PolarHBondContact N-O 2.94Å; I84-I117 PolarHBondContact O-N 3.26Å; I84-L120 HydrophobicContact CB-CD2 4.44Å; I84-L120 HydrophobicContact CD1-CD1 3.57Å; I84-L120 HydrophobicContact CD1-CD2 3.7Å; I84-L120 HydrophobicContact CD1-CG 4.18Å; I84-L120 HydrophobicContact CG1-CD1 3.74Å; I84-L120 HydrophobicContact CG1-CD2 3.87Å; I84-L120 HydrophobicContact CG1-CG 4.14Å; I84-V128 HydrophobicContact CD1-CG1 4.46Å; I84-V128 HydrophobicContact CD1-CG2 3.8Å
85	C	95.4	Very high	88	Confident	20 Å²	20	63 Å²	63	14%	0.135	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.2	176.5	-70.2	0	0	0	0	110.7	V51 R52 Y54 C116	V51-C85 CarbonylContact C-O 3.56Å; V51-C85 WeakPolarHBondContact CA-O 3.15Å; R52-C85 PolarHBondContact N-O 2.81Å; R52-C85 PolarHBondContact O-N 3.29Å; Y54-C85 HydrophobicContact CE2-CB 4.24Å; C85-C116 HydrophobicContact CB-CB 4.15Å; C85-C116 WeakPolarHBondContact CB-SG 3.36Å; C85-C116 WeakPolarHBondContact SG-CB 3.01Å; C85-C116 CovalentContact SG-SG 2.04Å; C85-C116 PolarHBondContact SG-SG 3.19Å
86	A	93.7	Very high	87.9	Confident	5 Å²	5	60.4 Å²	60.4	4%	0.041	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.7	166.3	0	0	0	0	0	108.9	V51 L111 T112 G114 V115	V51-A86 HydrophobicContact CG2-CB 4.45Å; A86-L111 HydrophobicContact CB-CD2 3.61Å; A86-L111 HydrophobicContact CB-CG 3.7Å; A86-T112 WeakPolarHBondContact CB-O 3.44Å; A86-G114 VanDerWaalsContact O-CA 3.31Å; A86-G114 WeakPolarHBondContact O-CA 3.28Å; A86-G114 PolarHBondContact O-N 2.98Å; A86-G114 VanDerWaalsContact O-N 3.13Å; A86-V115 PolarHBondContact N-O 2.8Å
87	H	89.4	Confident	87.8	Confident	106 Å²	106	59.1 Å²	59.1	49%	0.491	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-58.7	149.9	171.3	-165.4	-95.2	0	0	0	110.9	D49 C50 S89 G114	D49-H87 IonicContact OD1-ND1 3.88Å; C50-H87 PolarHBondContact O-N 2.79Å; H87-S89 PolarHBondContact O-N 2.9Å; H87-G114 PolarHBondContact O-N 3.44Å
88	R	85.4	Confident	87.8	Confident	152 Å²	152	58.9 Å²	58.9	57%	0.574	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-75.9	117.8	174.5	-172.4	171.7	-175.4	177.1	4.5	108.4	Y90	R88-Y90 WeakPolarHBondContact CD-OH 2.89Å; R88-Y90 HydrophobicContact CG-CE1 4.36Å; R88-Y90 HydrophobicContact CG-CE2 4.1Å; R88-Y90 PolarHBondContact NE-OH 3.21Å
89	S	78	Confident	87.8	Confident	20 Å²	20	59.4 Å²	59.4	14%	0.14	27%	0.266	C	S	.	.			trans	-105	131.2	173.9	-166.3	0	0	0	0	109.5	D49 H87 F92	D49-S89 VanDerWaalsContact OD1-CB 3.25Å; D49-S89 WeakPolarHBondContact OD1-CB 3.45Å; D49-S89 PolarHBondContact OD1-OG 3.31Å; D49-S89 WeakPolarHBondContact OD2-CB 3.47Å; D49-S89 PolarHBondContact OD2-OG 2.85Å; H87-S89 PolarHBondContact O-N 2.9Å; S89-F92 WeakPolarHBondContact CB-O 3.3Å; S89-F92 PolarHBondContact OG-O 2.78Å
90	Y	69.2	Low	87.9	Confident	177 Å²	177	54.9 Å²	54.9	69%	0.694	25%	0.25	S	S	*	.	S	Bend	trans	-99.2	-29.6	-179.2	-65.3	-85.3	0	0	0	112.7	R88	R88-Y90 WeakPolarHBondContact CD-OH 2.89Å; R88-Y90 HydrophobicContact CG-CE1 4.36Å; R88-Y90 HydrophobicContact CG-CE2 4.1Å; R88-Y90 PolarHBondContact NE-OH 3.21Å
91	L	65.5	Low	87.8	Confident	148 Å²	148	56.6 Å²	56.6	78%	0.775	26%	0.256	S	S	*	.	S	Bend	trans	-87	-33	-173.4	-62.2	175.5	0	0	0	112.7
92	F	67	Low	87.7	Confident	108 Å²	108	60.2 Å²	60.2	47%	0.474	27%	0.272	S	S	.	.	S	Bend	trans	-134.8	136.5	-177.4	-58.6	-75.2	0	0	0	109.6	S89 R94	S89-F92 WeakPolarHBondContact CB-O 3.3Å; S89-F92 PolarHBondContact OG-O 2.78Å; F92-R94 HydrophobicContact CB-CG 3.94Å; F92-R94 PolarHBondContact O-N 3.34Å
93	T	73.8	Confident	87.6	Confident	56 Å²	56	58.6 Å²	58.6	34%	0.344	27%	0.265	S	S	.	.			trans	-76.9	73.6	171	41.9	0	0	0	0	109	K136	T93-K136 PolarHBondContact O-N 3.41Å; T93-K136 WeakPolarHBondContact OG1-CB 3.24Å; T93-K136 PolarHBondContact OG1-O 2.88Å
94	R	82.2	Confident	87.5	Confident	65 Å²	65	58 Å²	58	25%	0.245	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	121.4	174.7	-73.6	173.8	178.7	168.8	-0.8	109.2	D49 F92 P113 C134	D49-R94 VanDerWaalsContact OD2-CD 3.31Å; D49-R94 WeakPolarHBondContact OD2-CD 3.37Å; D49-R94 IonicContact OD2-CZ 3.76Å; D49-R94 IonicContact OD2-NE 3.53Å; D49-R94 IonicContact OD2-NH1 2.7Å; D49-R94 PolarHBondContact OD2-NH1 2.91Å; F92-R94 HydrophobicContact CB-CG 3.94Å; F92-R94 PolarHBondContact O-N 3.34Å; R94-P113 WeakPolarHBondContact O-CD 3.5Å; R94-P113 WeakPolarHBondContact O-CG 3.15Å; R94-C134 VanDerWaalsContact CA-O 3.28Å; R94-C134 WeakPolarHBondContact CA-O 3.34Å
95	Y	89	Confident	87.2	Confident	16 Å²	16	62.3 Å²	62.3	6%	0.063	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	162.3	173	62.9	-79.7	0	0	0	108.5	I97 I110 L111 C134 K136 F144	Y95-I97 HydrophobicContact CD2-CG1 4.25Å; Y95-I97 HydrophobicContact CE2-CD1 4.19Å; Y95-I97 HydrophobicContact CE2-CG1 4.09Å; Y95-I110 HydrophobicContact CD2-CG2 4.1Å; Y95-L111 WeakPolarHBondContact CA-O 3.5Å; Y95-L111 WeakPolarHBondContact CB-O 3.22Å; Y95-C134 HydrophobicContact CD1-CB 4.14Å; Y95-C134 HydrophobicContact CD2-CB 3.86Å; Y95-C134 HydrophobicContact CE1-CB 3.53Å; Y95-C134 HydrophobicContact CE2-CB 3.26Å; Y95-C134 HydrophobicContact CG-CB 4.26Å; Y95-C134 PolarHBondContact N-O 2.86Å; Y95-C134 PolarHBondContact O-N 2.87Å; Y95-C134 VanDerWaalsContact O-O 3.07Å; Y95-C134 WeakPolarHBondContact OH-CB 3.39Å; Y95-K136 HydrophobicContact CD1-CB 4.36Å; Y95-K136 HydrophobicContact CE1-CB 4.13Å; Y95-F144 HydrophobicContact CD1-CD1 4.15Å; Y95-F144 HydrophobicContact CD1-CE1 4.2Å; Y95-F144 AromaticContact CE1-CD1 3.22Å; Y95-F144 HydrophobicContact CE1-CD1 3.22Å; Y95-F144 AromaticContact CE1-CE1 3.7Å; Y95-F144 HydrophobicContact CE1-CE1 3.7Å; Y95-F144 HydrophobicContact CE1-CG 4.18Å; Y95-F144 HydrophobicContact CE2-CD1 4.18Å; Y95-F144 AromaticContact CZ-CD1 3.22Å; Y95-F144 AromaticContact CZ-CE1 3.91Å; Y95-F144 AromaticContact CZ-CG 3.75Å; Y95-F144 WeakPolarHBondContact OH-CA 3.33Å; Y95-F144 WeakPolarHBondContact OH-CB 3.39Å; Y95-F144 WeakPolarHBondContact OH-CD1 3.32Å; Y95-F144 VanDerWaalsContact OH-CG 3.25Å; Y95-F144 WeakPolarHBondContact OH-CG 3.04Å
96	W	93.5	Very high	87.2	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.015	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.2	-176.3	-60.2	88.4	0	0	0	109.2	D49 V51 V66 I110 L111 I131 L132 K133	D49-W96 VanDerWaalsContact O-CZ2 3.24Å; D49-W96 WeakPolarHBondContact O-CZ2 3.1Å; V51-W96 HydrophobicContact CB-CD2 4.36Å; V51-W96 HydrophobicContact CG2-CB 3.7Å; V51-W96 VanDerWaalsContact CG2-CD1 3.41Å; V51-W96 HydrophobicContact CG2-CD2 3.2Å; V51-W96 VanDerWaalsContact CG2-CE2 3.48Å; V51-W96 HydrophobicContact CG2-CE3 3.74Å; V51-W96 HydrophobicContact CG2-CG 3.16Å; V51-W96 HydrophobicContact CG2-CZ2 4.18Å; V51-W96 HydrophobicContact CG2-CZ3 4.37Å; V66-W96 WeakPolarHBondContact O-CH2 3.04Å; W96-I110 WeakPolarHBondContact O-CA 3.36Å; W96-L111 HydrophobicContact CB-CB 4.22Å; W96-L111 PolarHBondContact N-O 2.99Å; W96-L111 PolarHBondContact O-N 3.32Å; W96-I131 HydrophobicContact CE3-CG2 3.62Å; W96-I131 HydrophobicContact CZ3-CG2 4.14Å; W96-L132 WeakPolarHBondContact CA-O 3.27Å; W96-K133 HydrophobicContact CD2-CG 4.45Å; W96-K133 HydrophobicContact CE3-CB 3.81Å; W96-K133 HydrophobicContact CE3-CG 4.12Å; W96-K133 HydrophobicContact CH2-CB 3.91Å; W96-K133 HydrophobicContact CH2-CD 3.6Å; W96-K133 HydrophobicContact CH2-CG 3.66Å; W96-K133 HydrophobicContact CZ2-CD 4.05Å; W96-K133 HydrophobicContact CZ2-CG 3.94Å; W96-K133 HydrophobicContact CZ3-CB 3.47Å; W96-K133 VanDerWaalsContact CZ3-CB 3.47Å; W96-K133 HydrophobicContact CZ3-CD 4.06Å; W96-K133 HydrophobicContact CZ3-CG 3.74Å
97	I	94.6	Very high	87.2	Confident	18 Å²	18	67.9 Å²	67.9	9%	0.092	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.1	171.6	-50	179.3	0	0	0	107.3	Y95 Y99 H108 I109 I131 L132	Y95-I97 HydrophobicContact CD2-CG1 4.25Å; Y95-I97 HydrophobicContact CE2-CD1 4.19Å; Y95-I97 HydrophobicContact CE2-CG1 4.09Å; I97-Y99 HydrophobicContact CB-CD2 4.46Å; I97-Y99 HydrophobicContact CB-CE2 3.8Å; I97-Y99 HydrophobicContact CG2-CD2 3.96Å; I97-Y99 HydrophobicContact CG2-CE1 4.34Å; I97-Y99 HydrophobicContact CG2-CE2 3.36Å; I97-H108 HydrophobicContact CG2-CB 3.86Å; I97-I109 WeakPolarHBondContact CA-O 3.47Å; I97-I131 CarbonylContact O-C 3.34Å; I97-I131 WeakPolarHBondContact O-CA 3.23Å; I97-L132 HydrophobicContact CB-CB 4.27Å; I97-L132 PolarHBondContact N-O 3.1Å; I97-L132 PolarHBondContact O-N 3.32Å
98	V	95.8	Very high	87.5	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.006	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	118.6	-179.9	-177.6	0	0	0	0	108	I84 H108 I109 V128 I131	I84-V98 HydrophobicContact CD1-CB 4.38Å; I84-V98 HydrophobicContact CD1-CG1 3.72Å; I84-V98 HydrophobicContact CD1-CG2 4.04Å; V98-H108 CarbonylContact O-C 3.57Å; V98-H108 WeakPolarHBondContact O-CA 3.25Å; V98-H108 WeakPolarHBondContact O-CB 2.94Å; V98-I109 HydrophobicContact CB-CG2 3.91Å; V98-I109 PolarHBondContact N-O 2.96Å; V98-I109 PolarHBondContact O-N 2.9Å; V98-V128 HydrophobicContact CG1-CB 4.3Å; V98-V128 HydrophobicContact CG1-CG1 3.58Å; V98-V128 HydrophobicContact CG1-CG2 4.06Å; V98-I131 HydrophobicContact CG1-CG1 4.27Å; V98-I131 HydrophobicContact CG2-CG1 4.34Å
99	Y	96.6	Very high	88	Confident	35 Å²	35	61.5 Å²	61.5	14%	0.137	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	144.8	-178.3	-70.5	-93	0	0	0	111.2	I97 R101 F104 H108 G129 S130 L132	I97-Y99 HydrophobicContact CB-CD2 4.46Å; I97-Y99 HydrophobicContact CB-CE2 3.8Å; I97-Y99 HydrophobicContact CG2-CD2 3.96Å; I97-Y99 HydrophobicContact CG2-CE1 4.34Å; I97-Y99 HydrophobicContact CG2-CE2 3.36Å; Y99-R101 PolarHBondContact O-N 2.03Å; Y99-F104 VanDerWaalsContact CD1-C 3.42Å; Y99-F104 HydrophobicContact CD2-CB 3.94Å; Y99-F104 HydrophobicContact CD2-CD1 4.04Å; Y99-F104 HydrophobicContact CE1-CB 4.47Å; Y99-F104 WeakPolarHBondContact CE1-O 3.31Å; Y99-F104 HydrophobicContact CE2-CB 3.87Å; Y99-F104 HydrophobicContact CE2-CD1 4.2Å; Y99-F104 HydrophobicContact CG-CB 4.28Å; Y99-H108 HydrophobicContact CD1-CB 3.66Å; Y99-H108 HydrophobicContact CE1-CB 3.83Å; Y99-H108 HydrophobicContact CG-CB 4.1Å; Y99-G129 PolarHBondContact O-N 3.18Å; Y99-S130 WeakPolarHBondContact CB-OG 3.35Å; Y99-S130 PolarHBondContact N-O 2.81Å; Y99-S130 PolarHBondContact O-N 3.33Å; Y99-L132 HydrophobicContact CE2-CB 4.04Å; Y99-L132 HydrophobicContact CE2-CD2 4.42Å
100	M	96.4	Very high	88.7	Confident	34 Å²	34	65.3 Å²	65.3	17%	0.167	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	-35.8	-178.6	-170.5	177.3	73.3	0	0	112.7	Q107 W126 S127 G129	M100-Q107 HydrophobicContact CB-CB 4.47Å; M100-Q107 WeakPolarHBondContact CB-O 3.49Å; M100-Q107 PolarHBondContact N-O 2.84Å; M100-W126 HydrophobicContact SD-CB 4.41Å; M100-S127 WeakPolarHBondContact CA-O 3.39Å; M100-S127 WeakPolarHBondContact CG-OG 3.26Å; M100-S127 PolarHBondContact O-OG 3.33Å; M100-G129 PolarHBondContact O-N 3.13Å
101	R	94.9	Very high	89.9	Confident	149 Å²	149	57 Å²	57	56%	0.562	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	164.3	-178.3	-57.2	-178.1	-179	-179.5	0.6	111.6	Y99 L105 G129 S130	Y99-R101 PolarHBondContact O-N 2.03Å; R101-L105 HydrophobicContact CB-CB 4.2Å; R101-L105 WeakPolarHBondContact CB-O 3.15Å; R101-L105 PolarHBondContact N-O 2.55Å; R101-L105 VanDerWaalsContact N-O 3.1Å; R101-G129 CarbonylContact O-C 3.4Å; R101-S130 PolarHBondContact O-N 3.34Å; R101-S130 PolarHBondContact O-OG 2.82Å
102	H	93.6	Very high	91	Very high	85 Å²	85	53.3 Å²	53.3	39%	0.394	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-61.9	162.7	171.4	58.8	-103.6	0	0	0	111	S71 Y72 F104	S71-H102 WeakPolarHBondContact O-CA 3.4Å; Y72-H102 HydrophobicContact CD2-CB 4.14Å; H102-F104 VanDerWaalsContact C-N 3.26Å; H102-F104 PolarHBondContact O-N 2.88Å
103	G	92.5	Very high	92.1	Very high	7 Å²	7	50.1 Å²	50.1	7%	0.072	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	68.3	19.5	175	0	0	0	0	0	115.3	S71 R148	S71-G103 PolarHBondContact O-N 3.19Å; G103-R148 PolarHBondContact O-NH2 3.27Å
104	F	93.8	Very high	92.9	Very high	10 Å²	10	49.5 Å²	49.5	4%	0.044	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	65	46.5	-179.4	-40.9	-74.3	0	0	0	112.8	N70 Y99 H102 S130 I131 L132 R148 P149 I151	N70-F104 WeakPolarHBondContact O-CE1 3.27Å; Y99-F104 VanDerWaalsContact CD1-C 3.42Å; Y99-F104 HydrophobicContact CD2-CB 3.94Å; Y99-F104 HydrophobicContact CD2-CD1 4.04Å; Y99-F104 HydrophobicContact CE1-CB 4.47Å; Y99-F104 WeakPolarHBondContact CE1-O 3.31Å; Y99-F104 HydrophobicContact CE2-CB 3.87Å; Y99-F104 HydrophobicContact CE2-CD1 4.2Å; Y99-F104 HydrophobicContact CG-CB 4.28Å; H102-F104 VanDerWaalsContact C-N 3.26Å; H102-F104 PolarHBondContact O-N 2.88Å; F104-S130 WeakPolarHBondContact CA-OG 3.17Å; F104-S130 PolarHBondContact N-OG 2.94Å; F104-I131 WeakPolarHBondContact CE1-O 3.43Å; F104-L132 HydrophobicContact CD1-CB 3.88Å; F104-L132 HydrophobicContact CD1-CD1 3.88Å; F104-L132 HydrophobicContact CD1-CG 4.4Å; F104-L132 HydrophobicContact CE1-CB 4Å; F104-L132 HydrophobicContact CE1-CD1 3.64Å; F104-L132 HydrophobicContact CE1-CG 4.43Å; F104-L132 HydrophobicContact CE2-CD1 4.34Å; F104-L132 HydrophobicContact CG-CD1 4.32Å; F104-L132 HydrophobicContact CZ-CD1 3.87Å; F104-R148 HydrophobicContact CD2-CG 3.73Å; F104-R148 VanDerWaalsContact CD2-NE 3.33Å; F104-R148 HydrophobicContact CE2-CG 3.67Å; F104-P149 HydrophobicContact CE2-CG 4.07Å; F104-P149 HydrophobicContact CZ-CG 3.86Å; F104-I151 HydrophobicContact CD2-CD1 4.11Å; F104-I151 HydrophobicContact CE2-CD1 4.18Å; F104-I151 HydrophobicContact CE2-CG1 4.47Å
105	L	92.1	Very high	93.3	Very high	93 Å²	93	49.2 Å²	49.2	49%	0.487	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	157.7	-175	-61.4	176.9	0	0	0	112.7	R101	R101-L105 HydrophobicContact CB-CB 4.2Å; R101-L105 WeakPolarHBondContact CB-O 3.15Å; R101-L105 PolarHBondContact N-O 2.55Å; R101-L105 VanDerWaalsContact N-O 3.1Å
106	G	93.7	Very high	93.6	Very high	43 Å²	43	51.6 Å²	51.6	44%	0.443	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	82.5	-162.9	176.3	0	0	0	0	0	113.8
107	Q	95.3	Very high	93.7	Very high	98 Å²	98	52.2 Å²	52.2	46%	0.458	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	145.2	176.6	-170.5	170.8	-2.3	0	0	110.5	M100 G124 I125	M100-Q107 HydrophobicContact CB-CB 4.47Å; M100-Q107 WeakPolarHBondContact CB-O 3.49Å; M100-Q107 PolarHBondContact N-O 2.84Å; Q107-G124 PolarHBondContact OE1-O 3.4Å; Q107-G124 VanDerWaalsContact OE1-O 3.08Å; Q107-I125 HydrophobicContact CB-CD1 4.3Å; Q107-I125 HydrophobicContact CG-CD1 3.87Å
108	H	95.6	Very high	93.7	Very high	97 Å²	97	60.5 Å²	60.5	45%	0.449	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	161.3	-178.1	65.6	-84.8	0	0	0	111.7	I97 V98 Y99	I97-H108 HydrophobicContact CG2-CB 3.86Å; V98-H108 CarbonylContact O-C 3.57Å; V98-H108 WeakPolarHBondContact O-CA 3.25Å; V98-H108 WeakPolarHBondContact O-CB 2.94Å; Y99-H108 HydrophobicContact CD1-CB 3.66Å; Y99-H108 HydrophobicContact CE1-CB 3.83Å; Y99-H108 HydrophobicContact CG-CB 4.1Å
109	I	95.4	Very high	93.6	Very high	28 Å²	28	62.9 Å²	62.9	14%	0.144	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.8	170.8	-168.5	156.8	0	0	0	109.7	I97 V98 I117 H123 I125	I97-I109 WeakPolarHBondContact CA-O 3.47Å; V98-I109 HydrophobicContact CB-CG2 3.91Å; V98-I109 PolarHBondContact N-O 2.96Å; V98-I109 PolarHBondContact O-N 2.9Å; I109-I117 HydrophobicContact CD1-CD1 3.53Å; I109-I117 HydrophobicContact CG1-CD1 3.9Å; I109-H123 HydrophobicContact CD1-CB 3.74Å; I109-I125 HydrophobicContact CB-CD1 4.45Å; I109-I125 HydrophobicContact CB-CG1 4.12Å; I109-I125 HydrophobicContact CG2-CG1 3.99Å
110	I	93.2	Very high	93.5	Very high	99 Å²	99	61.3 Å²	61.3	51%	0.508	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.1	176.2	-58.8	174.5	0	0	0	108.3	Y95 W96	Y95-I110 HydrophobicContact CD2-CG2 4.1Å; W96-I110 WeakPolarHBondContact O-CA 3.36Å
111	L	92.7	Very high	93.3	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.01	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.3	179.6	-173.9	70.8	0	0	0	109.2	V51 I84 A86 Y95 W96 V115 I117	V51-L111 HydrophobicContact CG1-CD2 4.28Å; V51-L111 HydrophobicContact CG2-CD2 4.08Å; I84-L111 HydrophobicContact CB-CD2 4.48Å; I84-L111 HydrophobicContact CG2-CD2 3.49Å; I84-L111 VanDerWaalsContact CG2-CD2 3.49Å; A86-L111 HydrophobicContact CB-CD2 3.61Å; A86-L111 HydrophobicContact CB-CG 3.7Å; Y95-L111 WeakPolarHBondContact CA-O 3.5Å; Y95-L111 WeakPolarHBondContact CB-O 3.22Å; W96-L111 HydrophobicContact CB-CB 4.22Å; W96-L111 PolarHBondContact N-O 2.99Å; W96-L111 PolarHBondContact O-N 3.32Å; L111-V115 HydrophobicContact CD1-CB 4.26Å; L111-V115 HydrophobicContact CD1-CG1 4.09Å; L111-V115 WeakPolarHBondContact CD1-O 3.47Å; L111-I117 HydrophobicContact CD1-CD1 3.72Å; L111-I117 HydrophobicContact CD1-CG1 3.69Å
112	T	89.9	Confident	93.3	Very high	72 Å²	72	65.7 Å²	65.7	44%	0.442	35%	0.345	S	S	.	.			trans	-81.3	155.3	178.5	50	0	0	0	0	111.3	A86 G114 V115	A86-T112 WeakPolarHBondContact CB-O 3.44Å; T112-G114 PolarHBondContact O-N 2.9Å; T112-V115 WeakPolarHBondContact O-CB 3.39Å; T112-V115 PolarHBondContact O-N 3.16Å; T112-V115 WeakPolarHBondContact OG1-CG2 3.47Å
113	P	89.3	Confident	93.1	Very high	40 Å²	40	66.1 Å²	66.1	26%	0.26	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	136.1	-179.4	1.2	-4	0	0	0	112.1	R94 V115	R94-P113 WeakPolarHBondContact O-CD 3.5Å; R94-P113 WeakPolarHBondContact O-CG 3.15Å; P113-V115 PolarHBondContact O-N 3.17Å
114	G	90	Very high	93.1	Very high	44 Å²	44	66.7 Å²	66.7	45%	0.454	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	2.2	179.7	0	0	0	0	0	115.2	A86 H87 T112	A86-G114 VanDerWaalsContact O-CA 3.31Å; A86-G114 WeakPolarHBondContact O-CA 3.28Å; A86-G114 PolarHBondContact O-N 2.98Å; A86-G114 VanDerWaalsContact O-N 3.13Å; H87-G114 PolarHBondContact O-N 3.44Å; T112-G114 PolarHBondContact O-N 2.9Å
115	V	92.4	Very high	93.1	Very high	58 Å²	58	66.2 Å²	66.2	35%	0.352	35%	0.35	S	S	.	.			trans	-93.3	139.6	176.9	174.2	0	0	0	0	110.9	A86 L111 T112 P113 I117	A86-V115 PolarHBondContact N-O 2.8Å; L111-V115 HydrophobicContact CD1-CB 4.26Å; L111-V115 HydrophobicContact CD1-CG1 4.09Å; L111-V115 WeakPolarHBondContact CD1-O 3.47Å; T112-V115 WeakPolarHBondContact O-CB 3.39Å; T112-V115 PolarHBondContact O-N 3.16Å; T112-V115 WeakPolarHBondContact OG1-CG2 3.47Å; P113-V115 PolarHBondContact O-N 3.17Å; V115-I117 HydrophobicContact CG1-CG1 4.27Å
116	C	95	Very high	93.2	Very high	66 Å²	66	69.5 Å²	69.5	45%	0.446	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.4	168.2	-72.7	0	0	0	0	109.8	I84 C85	I84-C116 CarbonylContact O-C 3.49Å; I84-C116 VanDerWaalsContact O-CA 3.29Å; I84-C116 WeakPolarHBondContact O-CA 3.35Å; C85-C116 HydrophobicContact CB-CB 4.15Å; C85-C116 WeakPolarHBondContact CB-SG 3.36Å; C85-C116 WeakPolarHBondContact SG-CB 3.01Å; C85-C116 CovalentContact SG-SG 2.04Å; C85-C116 PolarHBondContact SG-SG 3.19Å
117	I	95.7	Very high	93.3	Very high	18 Å²	18	67.9 Å²	67.9	9%	0.092	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	112.5	171.8	-59.4	178.3	0	0	0	107.5	T83 I84 I109 L111 V115 L120	T83-I117 VanDerWaalsContact CA-O 3.3Å; T83-I117 WeakPolarHBondContact CA-O 3.18Å; I84-I117 PolarHBondContact N-O 2.94Å; I84-I117 PolarHBondContact O-N 3.26Å; I109-I117 HydrophobicContact CD1-CD1 3.53Å; I109-I117 HydrophobicContact CG1-CD1 3.9Å; L111-I117 HydrophobicContact CD1-CD1 3.72Å; L111-I117 HydrophobicContact CD1-CG1 3.69Å; V115-I117 HydrophobicContact CG1-CG1 4.27Å; I117-L120 HydrophobicContact CB-CD2 4.38Å; I117-L120 HydrophobicContact CG2-CD2 3.96Å
118	R	94.8	Very high	93.4	Very high	191 Å²	191	63.2 Å²	63.2	72%	0.721	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	144.9	172	-60.8	179.9	-176.1	-177.1	1.1	108.6	T83	T83-R118 HydrophobicContact CG2-CG 4.03Å
119	N	93.7	Very high	93.4	Very high	52 Å²	52	58.6 Å²	58.6	28%	0.278	30%	0.295	S	S	.	.			trans	56.5	70.4	-179.4	-160	-13.4	0	0	0	113	N82 R121 Q122 H123	N82-N119 WeakPolarHBondContact O-CA 3.49Å; N82-N119 PolarHBondContact O-N 2.92Å; N82-N119 WeakPolarHBondContact OD1-CA 3.39Å; N119-R121 PolarHBondContact O-N 3.09Å; N119-R121 VanDerWaalsContact O-N 3.09Å; N119-Q122 HydrophobicContact CB-CB 4.46Å; N119-Q122 HydrophobicContact CB-CG 4.21Å; N119-Q122 WeakPolarHBondContact ND2-CG 3.33Å; N119-Q122 PolarHBondContact ND2-NE2 3.26Å; N119-Q122 VanDerWaalsContact ND2-NE2 3.17Å; N119-Q122 PolarHBondContact ND2-OE1 3.35Å; N119-Q122 WeakPolarHBondContact O-CB 3.41Å; N119-Q122 PolarHBondContact O-N 3.16Å; N119-H123 PolarHBondContact O-ND1 3.12Å
120	L	93.6	Very high	93.5	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.01	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-51.7	-33.2	177.8	-71.2	179	0	0	0	113.8	T81 N82 I84 I117 Q122 H123 G124 I125 V128	T81-L120 HydrophobicContact CG2-CD1 3.81Å; N82-L120 PolarHBondContact O-N 2.77Å; N82-L120 VanDerWaalsContact O-N 3.16Å; I84-L120 HydrophobicContact CB-CD2 4.44Å; I84-L120 HydrophobicContact CD1-CD1 3.57Å; I84-L120 HydrophobicContact CD1-CD2 3.7Å; I84-L120 HydrophobicContact CD1-CG 4.18Å; I84-L120 HydrophobicContact CG1-CD1 3.74Å; I84-L120 HydrophobicContact CG1-CD2 3.87Å; I84-L120 HydrophobicContact CG1-CG 4.14Å; I117-L120 HydrophobicContact CB-CD2 4.38Å; I117-L120 HydrophobicContact CG2-CD2 3.96Å; L120-Q122 VanDerWaalsContact C-N 3.27Å; L120-Q122 PolarHBondContact O-N 3.42Å; L120-H123 CarbonylContact O-C 3.48Å; L120-H123 WeakPolarHBondContact O-CA 3.41Å; L120-H123 WeakPolarHBondContact O-CB 3.44Å; L120-H123 PolarHBondContact O-N 2.83Å; L120-G124 PolarHBondContact O-N 3.36Å; L120-I125 CarbonylContact C-O 3.5Å; L120-I125 HydrophobicContact CB-CB 4.27Å; L120-I125 HydrophobicContact CD1-CG2 4.43Å; L120-I125 PolarHBondContact O-N 3.04Å; L120-I125 VanDerWaalsContact O-N 3.16Å; L120-V128 HydrophobicContact CD1-CG2 3.51Å
121	R	93.1	Very high	93.6	Very high	125 Å²	125	52.6 Å²	52.6	47%	0.472	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-64.3	-33.5	-178.6	-62.5	-179.3	179.7	175.4	-0.6	112	N119 H123 G124 I125 W126	N119-R121 PolarHBondContact O-N 3.09Å; N119-R121 VanDerWaalsContact O-N 3.09Å; R121-H123 PolarHBondContact O-N 2.87Å; R121-G124 PolarHBondContact O-N 2.88Å; R121-G124 VanDerWaalsContact O-N 3.07Å; R121-I125 PolarHBondContact N-O 2.66Å; R121-W126 HydrophobicContact CB-CE3 4.45Å; R121-W126 HydrophobicContact CB-CZ3 4.38Å; R121-W126 HydrophobicContact CG-CE3 4.09Å; R121-W126 HydrophobicContact CG-CZ3 4.33Å
122	Q	93.2	Very high	93.7	Very high	150 Å²	150	53 Å²	53	70%	0.701	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-65	-21	172.7	-73.7	175.6	-19.9	0	0	112.8	N119 L120	N119-Q122 HydrophobicContact CB-CB 4.46Å; N119-Q122 HydrophobicContact CB-CG 4.21Å; N119-Q122 WeakPolarHBondContact ND2-CG 3.33Å; N119-Q122 PolarHBondContact ND2-NE2 3.26Å; N119-Q122 VanDerWaalsContact ND2-NE2 3.17Å; N119-Q122 PolarHBondContact ND2-OE1 3.35Å; N119-Q122 WeakPolarHBondContact O-CB 3.41Å; N119-Q122 PolarHBondContact O-N 3.16Å; L120-Q122 VanDerWaalsContact C-N 3.27Å; L120-Q122 PolarHBondContact O-N 3.42Å
123	H	91	Very high	93.8	Very high	93 Å²	93	51.4 Å²	51.4	43%	0.431	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-96.5	10.8	176.4	-59.5	77	0	0	0	112.5	I109 N119 L120 R121 I125	I109-H123 HydrophobicContact CD1-CB 3.74Å; N119-H123 PolarHBondContact O-ND1 3.12Å; L120-H123 CarbonylContact O-C 3.48Å; L120-H123 WeakPolarHBondContact O-CA 3.41Å; L120-H123 WeakPolarHBondContact O-CB 3.44Å; L120-H123 PolarHBondContact O-N 2.83Å; R121-H123 PolarHBondContact O-N 2.87Å; H123-I125 VanDerWaalsContact C-N 3.29Å; H123-I125 PolarHBondContact O-N 2.79Å
124	G	92	Very high	93.9	Very high	19 Å²	19	49.5 Å²	49.5	20%	0.196	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	5.2	179.8	0	0	0	0	0	115	Q107 L120 R121	Q107-G124 PolarHBondContact OE1-O 3.4Å; Q107-G124 VanDerWaalsContact OE1-O 3.08Å; L120-G124 PolarHBondContact O-N 3.36Å; R121-G124 PolarHBondContact O-N 2.88Å; R121-G124 VanDerWaalsContact O-N 3.07Å
125	I	94.3	Very high	93.7	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	23%	0.233	C	C	.	.			trans	-95.4	105	177.3	-58.8	-62.7	0	0	0	109	Q107 I109 L120 R121 H123 S127	Q107-I125 HydrophobicContact CB-CD1 4.3Å; Q107-I125 HydrophobicContact CG-CD1 3.87Å; I109-I125 HydrophobicContact CB-CD1 4.45Å; I109-I125 HydrophobicContact CB-CG1 4.12Å; I109-I125 HydrophobicContact CG2-CG1 3.99Å; L120-I125 CarbonylContact C-O 3.5Å; L120-I125 HydrophobicContact CB-CB 4.27Å; L120-I125 HydrophobicContact CD1-CG2 4.43Å; L120-I125 PolarHBondContact O-N 3.04Å; L120-I125 VanDerWaalsContact O-N 3.16Å; R121-I125 PolarHBondContact N-O 2.66Å; H123-I125 VanDerWaalsContact C-N 3.29Å; H123-I125 PolarHBondContact O-N 2.79Å; I125-S127 WeakPolarHBondContact CG2-O 3.37Å
126	W	94.3	Very high	93	Very high	162 Å²	162	49.7 Å²	49.7	61%	0.614	23%	0.228	S	C	*	.			trans	-86.6	-21.5	-177.2	-65.2	95.2	0	0	0	114	M100 R121	M100-W126 HydrophobicContact SD-CB 4.41Å; R121-W126 HydrophobicContact CB-CE3 4.45Å; R121-W126 HydrophobicContact CB-CZ3 4.38Å; R121-W126 HydrophobicContact CG-CE3 4.09Å; R121-W126 HydrophobicContact CG-CZ3 4.33Å
127	S	95.6	Very high	92.1	Very high	9 Å²	9	52.3 Å²	52.3	6%	0.063	24%	0.237	C	C	.	.			trans	-149.1	161.3	178.9	56.9	0	0	0	0	110.1	M78 M100 I125	M78-S127 CarbonylContact O-C 3.51Å; M78-S127 WeakPolarHBondContact O-CA 3.49Å; M78-S127 WeakPolarHBondContact O-CB 3.24Å; M100-S127 WeakPolarHBondContact CA-O 3.39Å; M100-S127 WeakPolarHBondContact CG-OG 3.26Å; M100-S127 PolarHBondContact O-OG 3.33Å; I125-S127 WeakPolarHBondContact CG2-O 3.37Å
128	V	97	Very high	90.8	Very high	0 Å²	0	53 Å²	53	0%	0	24%	0.244	C	C	.	.			trans	-118.4	88.4	176.9	178.8	0	0	0	0	108.3	L53 I73 M78 T81 I84 V98 L120 I131	L53-V128 HydrophobicContact CD1-CG1 4.24Å; L53-V128 HydrophobicContact CD2-CG1 4.28Å; I73-V128 VanDerWaalsContact CB-O 3.23Å; I73-V128 WeakPolarHBondContact CB-O 3.32Å; I73-V128 HydrophobicContact CG1-CG1 4.21Å; M78-V128 VanDerWaalsContact CA-O 3.27Å; M78-V128 WeakPolarHBondContact CA-O 3.47Å; M78-V128 WeakPolarHBondContact CB-O 3.31Å; M78-V128 PolarHBondContact O-N 2.95Å; T81-V128 HydrophobicContact CG2-CG2 4.07Å; I84-V128 HydrophobicContact CD1-CG1 4.46Å; I84-V128 HydrophobicContact CD1-CG2 3.8Å; V98-V128 HydrophobicContact CG1-CB 4.3Å; V98-V128 HydrophobicContact CG1-CG1 3.58Å; V98-V128 HydrophobicContact CG1-CG2 4.06Å; L120-V128 HydrophobicContact CD1-CG2 3.51Å; V128-I131 HydrophobicContact CG1-CD1 3.93Å; V128-I131 HydrophobicContact CG1-CG1 4.01Å
129	G	96.4	Very high	89.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.24	C	C	.	.			trans	-88.3	-31.4	-172.9	0	0	0	0	0	114	I73 Y99 M100 R101	I73-G129 PolarHBondContact N-O 2.89Å; I73-G129 VanDerWaalsContact N-O 3.08Å; Y99-G129 PolarHBondContact O-N 3.18Å; M100-G129 PolarHBondContact O-N 3.13Å; R101-G129 CarbonylContact O-C 3.4Å
130	S	96.3	Very high	88.1	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	156.6	176.5	54	0	0	0	0	111.7	N70 S71 Y99 R101 F104	N70-S130 CarbonylContact O-C 3.48Å; N70-S130 VanDerWaalsContact O-CA 3.32Å; N70-S130 WeakPolarHBondContact O-CA 3.2Å; N70-S130 VanDerWaalsContact O-CB 3.26Å; N70-S130 WeakPolarHBondContact O-CB 3.48Å; S71-S130 WeakPolarHBondContact O-CB 3.44Å; Y99-S130 WeakPolarHBondContact CB-OG 3.35Å; Y99-S130 PolarHBondContact N-O 2.81Å; Y99-S130 PolarHBondContact O-N 3.33Å; R101-S130 PolarHBondContact O-N 3.34Å; R101-S130 PolarHBondContact O-OG 2.82Å; F104-S130 WeakPolarHBondContact CA-OG 3.17Å; F104-S130 PolarHBondContact N-OG 2.94Å
131	I	95.7	Very high	86.7	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	123.5	-175.3	-61.2	177.9	0	0	0	108.6	V51 L53 V66 S69 N70 I73 W96 I97 V98 F104 V128	V51-I131 HydrophobicContact CG1-CD1 4.35Å; L53-I131 HydrophobicContact CD1-CD1 3.93Å; L53-I131 HydrophobicContact CD2-CD1 3.7Å; L53-I131 HydrophobicContact CG-CD1 4.2Å; V66-I131 HydrophobicContact CB-CD1 4.33Å; V66-I131 HydrophobicContact CG1-CB 4.33Å; V66-I131 HydrophobicContact CG1-CD1 4.36Å; V66-I131 HydrophobicContact CG1-CG2 4.41Å; V66-I131 HydrophobicContact CG2-CD1 4.17Å; S69-I131 CarbonylContact C-O 3.53Å; S69-I131 VanDerWaalsContact CA-O 3.31Å; S69-I131 WeakPolarHBondContact CA-O 3.03Å; N70-I131 PolarHBondContact N-O 2.87Å; N70-I131 PolarHBondContact O-N 2.82Å; I73-I131 HydrophobicContact CD1-CD1 3.93Å; I73-I131 HydrophobicContact CD1-CG1 4.1Å; I73-I131 HydrophobicContact CG1-CD1 4.39Å; I73-I131 HydrophobicContact CG1-CG1 4.31Å; W96-I131 HydrophobicContact CE3-CG2 3.62Å; W96-I131 HydrophobicContact CZ3-CG2 4.14Å; I97-I131 CarbonylContact O-C 3.34Å; I97-I131 WeakPolarHBondContact O-CA 3.23Å; V98-I131 HydrophobicContact CG1-CG1 4.27Å; V98-I131 HydrophobicContact CG2-CG1 4.34Å; F104-I131 WeakPolarHBondContact CE1-O 3.43Å; V128-I131 HydrophobicContact CG1-CD1 3.93Å; V128-I131 HydrophobicContact CG1-CG1 4.01Å
132	L	94.3	Very high	85.3	Confident	10 Å²	10	59 Å²	59	5%	0.052	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127	180	-164.4	70	0	0	0	109.8	W96 I97 Y99 F104 C146 H147 R148	W96-L132 WeakPolarHBondContact CA-O 3.27Å; I97-L132 HydrophobicContact CB-CB 4.27Å; I97-L132 PolarHBondContact N-O 3.1Å; I97-L132 PolarHBondContact O-N 3.32Å; Y99-L132 HydrophobicContact CE2-CB 4.04Å; Y99-L132 HydrophobicContact CE2-CD2 4.42Å; F104-L132 HydrophobicContact CD1-CB 3.88Å; F104-L132 HydrophobicContact CD1-CD1 3.88Å; F104-L132 HydrophobicContact CD1-CG 4.4Å; F104-L132 HydrophobicContact CE1-CB 4Å; F104-L132 HydrophobicContact CE1-CD1 3.64Å; F104-L132 HydrophobicContact CE1-CG 4.43Å; F104-L132 HydrophobicContact CE2-CD1 4.34Å; F104-L132 HydrophobicContact CG-CD1 4.32Å; F104-L132 HydrophobicContact CZ-CD1 3.87Å; L132-C146 HydrophobicContact CD2-CB 3.47Å; L132-C146 VanDerWaalsContact CD2-CB 3.47Å; L132-C146 HydrophobicContact CG-CB 3.88Å; L132-H147 WeakPolarHBondContact CD1-O 3.2Å; L132-R148 HydrophobicContact CD1-CB 4.16Å; L132-R148 HydrophobicContact CD1-CG 4.32Å
133	K	92.6	Very high	84.3	Confident	39 Å²	39	56.6 Å²	56.6	17%	0.17	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.7	172.9	-169.9	175.4	-172.5	169.3	0	109.7	C67 S69 W96 H147	C67-K133 PolarHBondContact O-NZ 3.47Å; S69-K133 WeakPolarHBondContact OG-CB 3.45Å; S69-K133 PolarHBondContact OG-N 2.85Å; W96-K133 HydrophobicContact CD2-CG 4.45Å; W96-K133 HydrophobicContact CE3-CB 3.81Å; W96-K133 HydrophobicContact CE3-CG 4.12Å; W96-K133 HydrophobicContact CH2-CB 3.91Å; W96-K133 HydrophobicContact CH2-CD 3.6Å; W96-K133 HydrophobicContact CH2-CG 3.66Å; W96-K133 HydrophobicContact CZ2-CD 4.05Å; W96-K133 HydrophobicContact CZ2-CG 3.94Å; W96-K133 HydrophobicContact CZ3-CB 3.47Å; W96-K133 VanDerWaalsContact CZ3-CB 3.47Å; W96-K133 HydrophobicContact CZ3-CD 4.06Å; W96-K133 HydrophobicContact CZ3-CG 3.74Å; K133-H147 PolarHBondContact O-N 3.4Å
134	C	90.3	Very high	83.6	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.007	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	155.4	-178.9	-51.1	0	0	0	0	112.6	R94 Y95 Y145 C146	R94-C134 VanDerWaalsContact CA-O 3.28Å; R94-C134 WeakPolarHBondContact CA-O 3.34Å; Y95-C134 HydrophobicContact CD1-CB 4.14Å; Y95-C134 HydrophobicContact CD2-CB 3.86Å; Y95-C134 HydrophobicContact CE1-CB 3.53Å; Y95-C134 HydrophobicContact CE2-CB 3.26Å; Y95-C134 HydrophobicContact CG-CB 4.26Å; Y95-C134 PolarHBondContact N-O 2.86Å; Y95-C134 PolarHBondContact O-N 2.87Å; Y95-C134 VanDerWaalsContact O-O 3.07Å; Y95-C134 WeakPolarHBondContact OH-CB 3.39Å; C134-Y145 CarbonylContact C-O 3.59Å; C134-Y145 VanDerWaalsContact CA-O 3.22Å; C134-Y145 WeakPolarHBondContact CA-O 3.38Å; C134-Y145 WeakPolarHBondContact CB-O 3.16Å; C134-C146 HydrophobicContact CB-CB 3.97Å; C134-C146 WeakPolarHBondContact CB-SG 3.46Å; C134-C146 WeakPolarHBondContact SG-CB 3.29Å; C134-C146 CovalentContact SG-SG 2.03Å; C134-C146 PolarHBondContact SG-SG 2.84Å
135	T	86.3	Confident	83.4	Confident	47 Å²	47	63.8 Å²	63.8	29%	0.288	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128	-179.8	-55.1	0	0	0	0	109	Y145	T135-Y145 PolarHBondContact N-O 2.95Å; T135-Y145 PolarHBondContact O-N 3.47Å
136	K	77.3	Confident	83.1	Confident	58 Å²	58	65.6 Å²	65.6	25%	0.252	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	125.1	172.5	-172.9	-172.3	-169.6	-164.9	0	108.1	T93 Y95 S138 Q139 F144	T93-K136 PolarHBondContact O-N 3.41Å; T93-K136 WeakPolarHBondContact OG1-CB 3.24Å; T93-K136 PolarHBondContact OG1-O 2.88Å; Y95-K136 HydrophobicContact CD1-CB 4.36Å; Y95-K136 HydrophobicContact CE1-CB 4.13Å; K136-S138 WeakPolarHBondContact CD-O 3.2Å; K136-S138 WeakPolarHBondContact CE-O 3.09Å; K136-S138 WeakPolarHBondContact CG-O 3.38Å; K136-Q139 PolarHBondContact NZ-O 3.09Å; K136-F144 HydrophobicContact CB-CD1 3.95Å; K136-F144 HydrophobicContact CB-CE1 3.91Å; K136-F144 HydrophobicContact CD-CE1 3.89Å; K136-F144 HydrophobicContact CG-CD1 3.92Å; K136-F144 HydrophobicContact CG-CE1 3.65Å
137	I	76.6	Confident	82.4	Confident	122 Å²	122	62.7 Å²	62.7	63%	0.626	31%	0.311	S	S	*	.	S	Bend	trans	-75.4	-35.4	-171.9	-61	174.1	0	0	0	111.1	N143	I137-N143 HydrophobicContact CD1-CB 4.49Å; I137-N143 PolarHBondContact N-O 3.08Å
138	S	68.4	Low	82	Confident	33 Å²	33	68.8 Å²	68.8	23%	0.231	33%	0.332	C	S	.	.			trans	-143.3	145.9	-177.3	170.1	0	0	0	0	109.9	K136 Y140 I141	K136-S138 WeakPolarHBondContact CD-O 3.2Å; K136-S138 WeakPolarHBondContact CE-O 3.09Å; K136-S138 WeakPolarHBondContact CG-O 3.38Å; S138-Y140 PolarHBondContact O-N 3.08Å; S138-Y140 PolarHBondContact OG-N 3.07Å; S138-I141 PolarHBondContact OG-N 3.38Å
139	Q	66.8	Low	81.3	Confident	137 Å²	137	70.5 Å²	70.5	64%	0.64	34%	0.344	S	S	*	.	S	Bend	trans	-67.3	-30.5	174.8	-66.8	-175	-7.5	0	0	112	K136	K136-Q139 PolarHBondContact NZ-O 3.09Å
140	Y	64.9	Low	80.3	Confident	213 Å²	213	82.5 Å²	82.5	84%	0.835	39%	0.389	S	S	*	.	S	Bend	trans	-90.7	-30.9	-173.7	-56.9	-75.5	0	0	0	113.8	S138	S138-Y140 PolarHBondContact O-N 3.08Å; S138-Y140 PolarHBondContact OG-N 3.07Å
141	I	63.7	Low	79	Confident	95 Å²	95	85.5 Å²	85.5	49%	0.487	40%	0.404	S	S	.	.	S	Bend	trans	-103.3	122.8	-179.3	-52.9	176.9	0	0	0	107.1	S138 N143	S138-I141 PolarHBondContact OG-N 3.38Å; I141-N143 HydrophobicContact CG2-CB 4.03Å; I141-N143 WeakPolarHBondContact CG2-ND2 3.12Å; I141-N143 PolarHBondContact O-N 3.11Å
142	G	64.4	Low	77.2	Confident	51 Å²	51	89.1 Å²	89.1	53%	0.526	43%	0.434	S	S	.	.			trans	-67.5	29	178.3	0	0	0	0	0	114.6	F144	G142-F144 WeakPolarHBondContact O-CD2 3.12Å; G142-F144 WeakPolarHBondContact O-CE2 3.37Å
143	N	72.2	Confident	75.3	Confident	98 Å²	98	93.3 Å²	93.3	52%	0.524	46%	0.462	S	S	.	.			trans	-85.7	132	178.5	-72.2	-7.1	0	0	0	110.1	I137 I141	I137-N143 HydrophobicContact CD1-CB 4.49Å; I137-N143 PolarHBondContact N-O 3.08Å; I141-N143 HydrophobicContact CG2-CB 4.03Å; I141-N143 WeakPolarHBondContact CG2-ND2 3.12Å; I141-N143 PolarHBondContact O-N 3.11Å
144	F	76.4	Confident	73.5	Confident	121 Å²	121	95.1 Å²	95.1	53%	0.531	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	116.3	-160.7	-82.5	-44.6	0	0	0	106.7	Y95 K136 G142	Y95-F144 HydrophobicContact CD1-CD1 4.15Å; Y95-F144 HydrophobicContact CD1-CE1 4.2Å; Y95-F144 AromaticContact CE1-CD1 3.22Å; Y95-F144 HydrophobicContact CE1-CD1 3.22Å; Y95-F144 AromaticContact CE1-CE1 3.7Å; Y95-F144 HydrophobicContact CE1-CE1 3.7Å; Y95-F144 HydrophobicContact CE1-CG 4.18Å; Y95-F144 HydrophobicContact CE2-CD1 4.18Å; Y95-F144 AromaticContact CZ-CD1 3.22Å; Y95-F144 AromaticContact CZ-CE1 3.91Å; Y95-F144 AromaticContact CZ-CG 3.75Å; Y95-F144 WeakPolarHBondContact OH-CA 3.33Å; Y95-F144 WeakPolarHBondContact OH-CB 3.39Å; Y95-F144 WeakPolarHBondContact OH-CD1 3.32Å; Y95-F144 VanDerWaalsContact OH-CG 3.25Å; Y95-F144 WeakPolarHBondContact OH-CG 3.04Å; K136-F144 HydrophobicContact CB-CD1 3.95Å; K136-F144 HydrophobicContact CB-CE1 3.91Å; K136-F144 HydrophobicContact CD-CE1 3.89Å; K136-F144 HydrophobicContact CG-CD1 3.92Å; K136-F144 HydrophobicContact CG-CE1 3.65Å; G142-F144 WeakPolarHBondContact O-CD2 3.12Å; G142-F144 WeakPolarHBondContact O-CE2 3.37Å
145	Y	86.7	Confident	71.5	Confident	142 Å²	142	100.1 Å²	100.1	56%	0.557	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.3	178.5	-176.3	-96	0	0	0	109.8	C134 T135	C134-Y145 CarbonylContact C-O 3.59Å; C134-Y145 VanDerWaalsContact CA-O 3.22Å; C134-Y145 WeakPolarHBondContact CA-O 3.38Å; C134-Y145 WeakPolarHBondContact CB-O 3.16Å; T135-Y145 PolarHBondContact N-O 2.95Å; T135-Y145 PolarHBondContact O-N 3.47Å
146	C	88.5	Confident	69.8	Low	40 Å²	40	107.2 Å²	107.2	27%	0.27	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.6	177.5	-60.4	0	0	0	0	109.7	L132 C134 R148	L132-C146 HydrophobicContact CD2-CB 3.47Å; L132-C146 VanDerWaalsContact CD2-CB 3.47Å; L132-C146 HydrophobicContact CG-CB 3.88Å; C134-C146 HydrophobicContact CB-CB 3.97Å; C134-C146 WeakPolarHBondContact CB-SG 3.46Å; C134-C146 WeakPolarHBondContact SG-CB 3.29Å; C134-C146 CovalentContact SG-SG 2.03Å; C134-C146 PolarHBondContact SG-SG 2.84Å; C146-R148 PolarHBondContact O-N 3.29Å
147	H	79.7	Confident	68.4	Low	101 Å²	101	109.8 Å²	109.8	47%	0.468	54%	0.54	S	S	.	.			trans	-85.1	104.3	173.3	-172.7	69	0	0	0	108.9	S69 L132 K133 P149	S69-H147 WeakPolarHBondContact CB-O 3.43Å; S69-H147 PolarHBondContact OG-O 2.71Å; L132-H147 WeakPolarHBondContact CD1-O 3.2Å; K133-H147 PolarHBondContact O-N 3.4Å; H147-P149 WeakPolarHBondContact O-CD 3.39Å
148	R	86.6	Confident	66.6	Low	137 Å²	137	111.2 Å²	111.2	52%	0.517	54%	0.544	S	S	.	.			trans	-91.3	111.8	174.4	-166.6	-179.1	-164.2	179	5.2	108.8	G103 F104 L132 C146	G103-R148 PolarHBondContact O-NH2 3.27Å; F104-R148 HydrophobicContact CD2-CG 3.73Å; F104-R148 VanDerWaalsContact CD2-NE 3.33Å; F104-R148 HydrophobicContact CE2-CG 3.67Å; L132-R148 HydrophobicContact CD1-CB 4.16Å; L132-R148 HydrophobicContact CD1-CG 4.32Å; C146-R148 PolarHBondContact O-N 3.29Å
149	P	83.7	Confident	65.3	Low	36 Å²	36	115.8 Å²	115.8	23%	0.234	56%	0.564	C	S	.	*			trans	-62	146.5	176.3	26.7	-34.2	0	0	0	109.5	F104 H147 I151	F104-P149 HydrophobicContact CE2-CG 4.07Å; F104-P149 HydrophobicContact CZ-CG 3.86Å; H147-P149 WeakPolarHBondContact O-CD 3.39Å; P149-I151 PolarHBondContact O-N 3.3Å; P149-I151 VanDerWaalsContact O-N 3.13Å
150	R	75.5	Confident	63.9	Low	252 Å²	252	114 Å²	114	95%	0.951	57%	0.565	S	S	*	*			trans	-64	116.1	171.3	-70.3	-174.9	179.7	178.4	0.3	107.8	A152	R150-A152 PolarHBondContact O-N 3.28Å
151	I	67.7	Low	62.9	Low	62 Å²	62	113.4 Å²	113.4	32%	0.318	57%	0.569	S	S	.	*			trans	-78.8	112.3	174.6	-57.7	166.3	0	0	0	105.7	F104 P149	F104-I151 HydrophobicContact CD2-CD1 4.11Å; F104-I151 HydrophobicContact CE2-CD1 4.18Å; F104-I151 HydrophobicContact CE2-CG1 4.47Å; P149-I151 PolarHBondContact O-N 3.3Å; P149-I151 VanDerWaalsContact O-N 3.13Å
152	A	57.5	Low	61.8	Low	77 Å²	77	116.1 Å²	116.1	64%	0.636	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-62.8	136.4	163.5	0	0	0	0	0	107.4	R150 W154	R150-A152 PolarHBondContact O-N 3.28Å; A152-W154 PolarHBondContact O-N 2.84Å
153	P	56.2	Low	60.5	Low	98 Å²	98	118 Å²	118	64%	0.636	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-49.4	135.6	172.6	-21.7	30.7	0	0	0	109
154	W	53.9	Low	58.5	Low	77 Å²	77	118.3 Å²	118.3	29%	0.292	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-61	145.4	179.2	-67.9	94	0	0	0	108.7	Y72 A152 Y156 D157	Y72-W154 HydrophobicContact CD1-CH2 4.1Å; Y72-W154 AromaticContact CD2-CH2 3.31Å; Y72-W154 HydrophobicContact CD2-CH2 3.31Å; Y72-W154 AromaticContact CD2-CZ2 3.58Å; Y72-W154 HydrophobicContact CD2-CZ2 3.58Å; Y72-W154 HydrophobicContact CD2-CZ3 4.25Å; Y72-W154 AromaticContact CE2-CH2 3.99Å; Y72-W154 HydrophobicContact CE2-CH2 3.99Å; Y72-W154 HydrophobicContact CE2-CZ2 4.41Å; Y72-W154 AromaticContact CG-CH2 3.37Å; Y72-W154 HydrophobicContact CG-CH2 3.37Å; Y72-W154 AromaticContact CG-CZ2 3.92Å; Y72-W154 HydrophobicContact CG-CZ2 3.92Å; Y72-W154 HydrophobicContact CG-CZ3 4.38Å; A152-W154 PolarHBondContact O-N 2.84Å; W154-Y156 PolarHBondContact O-N 2.79Å; W154-D157 WeakPolarHBondContact CB-OD2 3.44Å; W154-D157 PolarHBondContact N-OD2 3.1Å; W154-D157 PolarHBondContact O-N 3.2Å
155	P	48.6	Very low	56.5	Low	106 Å²	106	120.2 Å²	120.2	69%	0.688	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-54.2	-23	173.7	-23.9	32.3	0	0	0	112.8
156	Y	50.2	Low	53.8	Low	196 Å²	196	118.2 Å²	118.2	77%	0.769	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-85.7	-9.8	178	-66.3	-76.8	0	0	0	114.9	W154 Q158	W154-Y156 PolarHBondContact O-N 2.79Å; Y156-Q158 PolarHBondContact O-N 2.73Å
157	D	48	Very low	51.1	Low	112 Å²	112	125.4 Å²	125.4	60%	0.599	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-82.3	-1	175.9	-65.9	-31.6	0	0	0	112.3	W154	W154-D157 WeakPolarHBondContact CB-OD2 3.44Å; W154-D157 PolarHBondContact N-OD2 3.1Å; W154-D157 PolarHBondContact O-N 3.2Å
158	Q	39.9	Very low	48.8	Very low	152 Å²	152	126.6 Å²	126.6	71%	0.71	67%	0.671	S	S	*	*			trans	-100.4	34.9	177.4	-64.5	-171.6	-16	0	0	113.3	Y156 P160	Y156-Q158 PolarHBondContact O-N 2.73Å; Q158-P160 VanDerWaalsContact O-CD 3.24Å; Q158-P160 WeakPolarHBondContact O-CD 3.36Å
159	I	41.1	Very low	46.2	Very low	129 Å²	129	127.8 Å²	127.8	66%	0.662	68%	0.683	S	S	*	*			trans	-68.5	119.2	170.1	-58.6	172.5	0	0	0	107.7	Q161	I159-Q161 PolarHBondContact O-N 2.84Å
160	P	36	Very low	43.6	Very low	100 Å²	100	131.8 Å²	131.8	65%	0.649	71%	0.708	S	S	*	*			trans	-59.8	132.7	175.1	-18.1	31.1	0	0	0	109.5	Q158 D162	Q158-P160 VanDerWaalsContact O-CD 3.24Å; Q158-P160 WeakPolarHBondContact O-CD 3.36Å; P160-D162 PolarHBondContact O-N 3.33Å
161	Q	44.1	Very low	41.4	Very low	199 Å²	199	126.7 Å²	126.7	93%	0.93	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	17.9	-177.7	-89.8	173.4	-23.7	0	0	115.6	I159	I159-Q161 PolarHBondContact O-N 2.84Å
162	D	40.4	Very low	39.8	Very low	152 Å²	152	132.9 Å²	132.9	81%	0.813	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	6.9	-173.4	-75.1	-30.4	0	0	0	115.5	P160 S164	P160-D162 PolarHBondContact O-N 3.33Å; D162-S164 PolarHBondContact O-N 3.34Å
163	A	38.1	Very low	38.7	Very low	92 Å²	92	137.8 Å²	137.8	76%	0.76	74%	0.735	S	S	*	*			trans	-92.6	78.8	174.8	0	0	0	0	0	111.8	L165	A163-L165 PolarHBondContact O-N 3.13Å
164	S	30.5	Very low	38.1	Very low	104 Å²	104	137.8 Å²	137.8	73%	0.727	74%	0.735	S	S	*	*			trans	-69.7	116	157.2	54.7	0	0	0	0	108.9	D162	D162-S164 PolarHBondContact O-N 3.34Å
165	L	33.2	Very low	37.4	Very low	160 Å²	160	140 Å²	140	84%	0.838	76%	0.759	S	S	*	*			trans	170.4	120.8	145.3	-97.3	140.7	0	0	0	111.9	A163	A163-L165 PolarHBondContact O-N 3.13Å
166	S	31.5	Very low	36.7	Very low	100 Å²	100	144.1 Å²	144.1	70%	0.699	77%	0.769	S	S	*	*			trans	72.2	94.9	147.4	-58	0	0	0	0	119.8	T168	S166-T168 PolarHBondContact O-N 2.89Å
167	Q	30.5	Very low	35.9	Very low	192 Å²	192	138.1 Å²	138.1	90%	0.897	77%	0.767	S	S	*	*			trans	0.1	113.6	131.4	-62.3	174.8	-4.5	0	0	115.7
168	T	32.7	Very low	35.6	Very low	125 Å²	125	140.5 Å²	140.5	77%	0.767	78%	0.779	S	S	*	*			trans	-161	105.2	133.9	-43.2	0	0	0	0	110.5	S166	S166-T168 PolarHBondContact O-N 2.89Å
169	Q	30.3	Very low	35.8	Very low	163 Å²	163	138.2 Å²	138.2	76%	0.762	78%	0.775	S	S	*	*			trans	51.6	118.5	138.6	-145.3	169.7	0.2	0	0	121.1
170	P	29.5	Very low	35.8	Very low	119 Å²	119	135 Å²	135	77%	0.773	76%	0.763	S	S	*	*			trans	-90.6	106.2	169.1	33.6	-24.2	0	0	0	109.3
171	N	29.3	Very low	36	Very low	145 Å²	145	135.6 Å²	135.6	78%	0.775	77%	0.77	S	S	*	*			trans	-169.1	83.2	161.3	-93.4	-20.6	0	0	0	109.2
172	Q	34.3	Very low	35.7	Very low	192 Å²	192	133.6 Å²	133.6	90%	0.897	77%	0.765	S	S	*	*			trans	-143.4	99.3	166.3	-107.8	157.1	-26.6	0	0	108.8
173	F	34.7	Very low	35.8	Very low	181 Å²	181	128.9 Å²	128.9	79%	0.794	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-50	136.2	155	-81.8	-96.9	0	0	0	108.1
174	P	42.3	Very low	35.6	Very low	97 Å²	97	133.5 Å²	133.5	63%	0.63	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-68.9	138.2	174.5	25.4	-25.8	0	0	0	109.3
175	P	39.2	Very low	36.1	Very low	123 Å²	123	129.6 Å²	129.6	80%	0.799	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-69.8	154.1	-179.5	30.1	-33.3	0	0	0	111.2	G177	P175-G177 PolarHBondContact O-N 2.96Å
176	E	34.1	Very low	36.4	Very low	193 Å²	193	127 Å²	127	90%	0.902	72%	0.715	S	S	*	*	S	Bend	trans	-46.7	122	175.3	-58.4	170.6	130	0	0	111.3
177	G	34.1	Very low	36.3	Very low	71 Å²	71	130 Å²	130	73%	0.732	72%	0.718	S	S	*	*			trans	174.1	3.1	176.9	0	0	0	0	0	120.7	P175	P175-G177 PolarHBondContact O-N 2.96Å
178	L	41.5	Very low	36.6	Very low	161 Å²	161	127.2 Å²	127.2	84%	0.843	71%	0.709	S	S	*	*			trans	-125.7	81.5	179.9	-70.7	167.3	0	0	0	111	P180	L178-P180 WeakPolarHBondContact O-CD 3.48Å
179	V	43.6	Very low	36.5	Very low	104 Å²	104	130.4 Å²	130.4	63%	0.63	72%	0.715	S	S	*	*			trans	-75.9	117.6	161.7	178.2	0	0	0	0	107.2	S181	V179-S181 PolarHBondContact O-N 3.27Å
180	P	41.6	Very low	36.3	Very low	62 Å²	62	126.1 Å²	126.1	40%	0.403	72%	0.715	S	S	.	*			trans	-72.8	120.2	174.9	-10.5	26.5	0	0	0	109.4	L178 N182 L183	L178-P180 WeakPolarHBondContact O-CD 3.48Å; P180-N182 PolarHBondContact O-N 3.43Å; P180-L183 HydrophobicContact CB-CD1 4.17Å; P180-L183 HydrophobicContact CG-CD1 4.17Å
181	S	40.5	Very low	36.3	Very low	113 Å²	113	130.3 Å²	130.3	79%	0.79	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	15.5	-169.9	-45.3	0	0	0	0	116.9	V179	V179-S181 PolarHBondContact O-N 3.27Å
182	N	37.5	Very low	36.2	Very low	157 Å²	157	129 Å²	129	84%	0.84	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.1	29.4	-174	-75.1	-41	0	0	0	114.7	P180	P180-N182 PolarHBondContact O-N 3.43Å
183	L	42.3	Very low	36	Very low	52 Å²	52	125.5 Å²	125.5	27%	0.272	71%	0.712	S	S	.	*			trans	-119.7	75.9	-179.4	-73.9	164.1	0	0	0	112.4	Y62 W63 F77 P180	Y62-L183 HydrophobicContact CD1-CB 3.73Å; Y62-L183 HydrophobicContact CD1-CD1 4.12Å; Y62-L183 HydrophobicContact CE1-CB 4.21Å; W63-L183 WeakPolarHBondContact O-CD2 3.24Å; F77-L183 HydrophobicContact CE2-CD1 4.34Å; F77-L183 HydrophobicContact CZ-CD1 4.3Å; P180-L183 HydrophobicContact CB-CD1 4.17Å; P180-L183 HydrophobicContact CG-CD1 4.17Å
184	Q	35.1	Very low	35.8	Very low	189 Å²	189	124 Å²	124	88%	0.883	71%	0.711	S	S	*	*			trans	-115.9	91.8	165.6	-159.6	144.8	-12.3	0	0	109.4
185	G	39.3	Very low	34.8	Very low	23 Å²	23	125.6 Å²	125.6	24%	0.237	72%	0.719	C	S	.	*			trans	-63.8	145.8	166.5	0	0	0	0	0	112.5	Q187	G185-Q187 PolarHBondContact O-N 3.38Å
186	P	39.5	Very low	34.5	Very low	105 Å²	105	127.2 Å²	127.2	68%	0.682	72%	0.72	S	S	*	*			trans	-60.9	128.9	173.6	24.9	-31	0	0	0	110	N188	P186-N188 PolarHBondContact O-N 2.81Å; P186-N188 VanDerWaalsContact O-N 3.08Å
187	Q	31	Very low	34.3	Very low	163 Å²	163	133.2 Å²	133.2	76%	0.762	74%	0.735	S	S	*	*			trans	-66.8	101.7	165.3	-70	-166.7	11.4	0	0	107.8	G185	G185-Q187 PolarHBondContact O-N 3.38Å
188	N	36.2	Very low	34.3	Very low	134 Å²	134	136.3 Å²	136.3	72%	0.717	74%	0.735	S	S	*	*			trans	-134.4	96.6	168.7	-86.9	-28.5	0	0	0	110.6	P186	P186-N188 PolarHBondContact O-N 2.81Å; P186-N188 VanDerWaalsContact O-N 3.08Å
189	Q	29.8	Very low	33.9	Very low	191 Å²	191	135 Å²	135	89%	0.893	73%	0.729	S	S	*	*			trans	8.3	125.2	138.7	-57.1	179.1	-1.7	0	0	117.2
190	G	26.1	Very low	33.4	Very low	73 Å²	73	136.7 Å²	136.7	75%	0.753	74%	0.735	S	S	*	*			trans	78.2	75.5	148	0	0	0	0	0	117.4
191	F	30	Very low	32.9	Very low	207 Å²	207	141.1 Å²	141.1	91%	0.908	75%	0.754	S	S	*	*			trans	-99.9	95.1	154.9	-100.7	-87.6	0	0	0	109.7
192	T	27.7	Very low	32.4	Very low	118 Å²	118	142.9 Å²	142.9	72%	0.724	75%	0.752	S	S	*	*			trans	-70.1	129.9	159.2	32.3	0	0	0	0	109.3	I194	T192-I194 PolarHBondContact O-N 3.44Å
193	P	30	Very low	32.1	Very low	118 Å²	118	141.9 Å²	141.9	77%	0.766	75%	0.746	S	S	*	*			trans	-67.5	123.5	173	26.5	-30.5	0	0	0	109.8	T195	P193-T195 PolarHBondContact O-N 3.46Å
194	I	29.9	Very low	31.4	Very low	151 Å²	151	148.4 Å²	148.4	77%	0.774	78%	0.78	S	S	*	*			trans	-76.6	109.5	167.2	-60.7	174.8	0	0	0	107.2	T192 L196	T192-I194 PolarHBondContact O-N 3.44Å; I194-L196 HydrophobicContact CG2-CG 4.32Å; I194-L196 PolarHBondContact O-N 3.24Å
195	T	22.6	Very low	31.1	Very low	129 Å²	129	145.2 Å²	145.2	79%	0.791	77%	0.772	S	S	*	*			trans	-73.3	113.7	161.3	-51.9	0	0	0	0	107.7	P193	P193-T195 PolarHBondContact O-N 3.46Å
196	L	31.4	Very low	30.4	Very low	158 Å²	158	155.4 Å²	155.4	83%	0.827	82%	0.816	S	S	*	*			trans	-87.5	128.7	162.9	-79.8	161.7	0	0	0	107.9	I194	I194-L196 HydrophobicContact CG2-CG 4.32Å; I194-L196 PolarHBondContact O-N 3.24Å
197	R	30.4	Very low	29.6	Very low	318 Å²	318	160 Å²	160	100%	1.2	83%	0.829	S	S	*	*			trans	-57	0	172.7	-92	-177.7	174.6	177.1	-1.7	111.9

Retrieved 197 of 197 residues in 438.9 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).