A0A3Q0KTT1_SCHMA Loading...

Putative cellular nucleic acid binding protein

AlphaFold DB , UniProt , Accession A0A3Q0KTT1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 178 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	40.7	Very low	50.6	Low	245 Å²	245	145.2 Å²	145.2	100%	1.207	79%	0.788	S	S	*	*				0	108.5	0	-70.3	-138.9	170.7	0	0	107.6
2	L	41.9	Very low	50.6	Low	158 Å²	158	142.3 Å²	142.3	83%	0.827	78%	0.778	S	S	*	*			trans	-67	128.5	177.7	-92.9	74.2	0	0	0	109.8	I4	L2-I4 HydrophobicContact CD2-CD1 3.84Å; L2-I4 HydrophobicContact CD2-CG1 4.24Å
3	A	48.9	Very low	50.6	Low	97 Å²	97	139.2 Å²	139.2	80%	0.802	77%	0.766	S	S	*	*			trans	-120.6	76.3	161.5	0	0	0	0	0	107.4	A5	A3-A5 VanDerWaalsContact C-N 3.31Å; A3-A5 PolarHBondContact O-N 3.09Å
4	I	49.9	Very low	50.4	Low	147 Å²	147	142.4 Å²	142.4	75%	0.754	77%	0.773	S	S	*	*			trans	-72.2	98.7	165.6	-61.2	175.4	0	0	0	104.9	L2 K6	L2-I4 HydrophobicContact CD2-CD1 3.84Å; L2-I4 HydrophobicContact CD2-CG1 4.24Å; I4-K6 PolarHBondContact O-N 3.31Å
5	A	53.8	Low	50.2	Low	81 Å²	81	140.5 Å²	140.5	67%	0.669	77%	0.767	S	S	*	*			trans	-55.8	112.6	178	0	0	0	0	0	108.6	A3 L7	A3-A5 VanDerWaalsContact C-N 3.31Å; A3-A5 PolarHBondContact O-N 3.09Å; A5-L7 VanDerWaalsContact C-N 3.3Å; A5-L7 PolarHBondContact O-N 3.37Å
6	K	62.2	Low	50.2	Low	188 Å²	188	142.2 Å²	142.2	82%	0.817	77%	0.768	S	S	*	*			trans	-69.8	91.9	174.2	-158.4	147.4	-173.8	169	0	106.7	I4	I4-K6 PolarHBondContact O-N 3.31Å
7	L	51.5	Low	50.1	Low	148 Å²	148	138.6 Å²	138.6	78%	0.775	76%	0.763	S	S	*	*			trans	-57.4	133.4	171.7	-77.8	161.8	0	0	0	108	A5 Q9	A5-L7 VanDerWaalsContact C-N 3.3Å; A5-L7 PolarHBondContact O-N 3.37Å; L7-Q9 PolarHBondContact O-N 3.09Å
8	P	50.9	Low	50.3	Low	85 Å²	85	141.4 Å²	141.4	55%	0.552	77%	0.77	S	S	*	*			trans	-65.8	127.8	-170.6	26.2	-33.2	0	0	0	109.8	E10	P8-E10 PolarHBondContact O-N 3.26Å
9	Q	56.2	Low	50.2	Low	166 Å²	166	139.7 Å²	139.7	78%	0.776	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	19.5	175.8	-58.9	-178.2	-57.9	0	0	112.9	L7 V12	L7-Q9 PolarHBondContact O-N 3.09Å; Q9-V12 WeakPolarHBondContact O-CG2 3.32Å
10	E	48.6	Very low	50.2	Low	157 Å²	157	140.3 Å²	140.3	73%	0.734	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-15.1	-173.6	-147	169.9	166.8	0	0	112	P8 V12 V13	P8-E10 PolarHBondContact O-N 3.26Å; E10-V12 VanDerWaalsContact C-N 3.28Å; E10-V12 PolarHBondContact O-N 3.02Å; E10-V13 WeakPolarHBondContact O-CG2 3.38Å
11	V	52.7	Low	50.2	Low	125 Å²	125	138.5 Å²	138.5	76%	0.758	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-8.2	178.7	-171.5	0	0	0	0	112.5
12	V	50.3	Low	51.1	Low	110 Å²	110	129.8 Å²	129.8	67%	0.667	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-4	-177.3	-94.2	0	0	0	0	115.4	Q9 E10	Q9-V12 WeakPolarHBondContact O-CG2 3.32Å; E10-V12 VanDerWaalsContact C-N 3.28Å; E10-V12 PolarHBondContact O-N 3.02Å
13	V	50.9	Low	52.5	Low	103 Å²	103	127.8 Å²	127.8	62%	0.624	73%	0.726	S	S	*	*	S	Bend	trans	-101	-9.8	-172.5	-88.3	0	0	0	0	116.5	E10	E10-V13 WeakPolarHBondContact O-CG2 3.38Å
14	E	47.4	Very low	53.7	Low	184 Å²	184	131.2 Å²	131.2	86%	0.86	73%	0.725	S	S	*	*	S	Bend	trans	-97.4	2.3	-175.9	-64.7	-160.2	158.5	0	0	115.7
15	V	48.1	Very low	54.8	Low	113 Å²	113	127 Å²	127	69%	0.685	71%	0.712	S	S	*	*	S	Bend	trans	-91.8	-4.6	179.6	-144.8	0	0	0	0	113.6	A17	V15-A17 PolarHBondContact O-N 3.34Å
16	E	49.6	Very low	56	Low	168 Å²	168	125.7 Å²	125.7	79%	0.785	70%	0.701	S	S	*	*	S	Bend	trans	-81.2	-6.8	-172.8	-65.2	-165.8	150.9	0	0	115.1
17	A	48.5	Very low	56.9	Low	82 Å²	82	118.8 Å²	118.8	68%	0.678	68%	0.675	S	S	*	*	S	Bend	trans	-99.1	-14.6	-167.7	0	0	0	0	0	116.7	V15	V15-A17 PolarHBondContact O-N 3.34Å
18	E	53.1	Low	58.3	Low	189 Å²	189	115.7 Å²	115.7	88%	0.883	66%	0.662	S	S	*	*	S	Bend	trans	-111.3	5.5	-174.3	-144	168.7	-175.8	0	0	114.9	I20	E18-I20 VanDerWaalsContact C-N 3.26Å; E18-I20 PolarHBondContact O-N 3.08Å
19	V	49.6	Very low	59.8	Low	109 Å²	109	118 Å²	118	66%	0.661	67%	0.665	S	S	*	*			trans	-90.2	23.9	179.6	-146	0	0	0	0	113.3
20	I	48.7	Very low	61.2	Low	150 Å²	150	115.9 Å²	115.9	77%	0.769	66%	0.655	S	S	*	*	S	Bend	trans	-98.5	109.3	177.5	6.1	174.3	0	0	0	109.4	E18	E18-I20 VanDerWaalsContact C-N 3.26Å; E18-I20 PolarHBondContact O-N 3.08Å
21	A	51.2	Low	63.1	Low	104 Å²	104	113 Å²	113	86%	0.86	64%	0.644	S	S	*	*	S	Bend	trans	90.1	27.8	169.6	0	0	0	0	0	119
22	A	58.9	Low	64.8	Low	62 Å²	62	110.2 Å²	110.2	51%	0.512	63%	0.627	S	S	.	*	S	Bend	trans	-77.7	130.5	151.3	0	0	0	0	0	108.5	E24 V27	A22-E24 PolarHBondContact O-N 3.31Å; A22-E24 VanDerWaalsContact O-N 3.15Å; A22-V27 HydrophobicContact CB-CG2 3.62Å
23	D	72.3	Confident	66.6	Low	116 Å²	116	108.5 Å²	108.5	62%	0.62	62%	0.617	S	S	*	*			trans	-44.1	119.8	172.3	179.1	24.2	0	0	0	109.6	A25 A26 V27	D23-A25 PolarHBondContact O-N 3.22Å; D23-A26 HydrophobicContact CB-CB 4.24Å; D23-A26 WeakPolarHBondContact O-CB 3.35Å; D23-A26 PolarHBondContact O-N 3.45Å; D23-V27 PolarHBondContact O-N 3.28Å
24	E	73.2	Confident	68.4	Low	169 Å²	169	107.9 Å²	107.9	79%	0.79	61%	0.609	S	S	*	*	H	α-helix	trans	-52.9	-32.3	-175.3	-67.7	-177.7	160.3	0	0	111.1	A22 V27 V28	A22-E24 PolarHBondContact O-N 3.31Å; A22-E24 VanDerWaalsContact O-N 3.15Å; E24-V27 PolarHBondContact O-N 3.44Å; E24-V28 VanDerWaalsContact O-CG2 3.24Å; E24-V28 WeakPolarHBondContact O-CG2 3.48Å; E24-V28 PolarHBondContact O-N 3.01Å
25	A	73.8	Confident	70.6	Confident	57 Å²	57	102.3 Å²	102.3	47%	0.471	59%	0.588	S	S	.	*	H	α-helix	trans	-64.7	-40.7	175.6	0	0	0	0	0	113.1	D23 V28 E29	D23-A25 PolarHBondContact O-N 3.22Å; A25-V28 PolarHBondContact O-N 3.19Å; A25-E29 WeakPolarHBondContact O-CG 3.28Å; A25-E29 PolarHBondContact O-N 3.41Å
26	A	78.3	Confident	72.7	Confident	54 Å²	54	102.3 Å²	102.3	45%	0.446	58%	0.582	S	S	.	*	H	α-helix	trans	-68.2	-38.3	179.3	0	0	0	0	0	111.9	D23 E29 E30	D23-A26 HydrophobicContact CB-CB 4.24Å; D23-A26 WeakPolarHBondContact O-CB 3.35Å; D23-A26 PolarHBondContact O-N 3.45Å; A26-E29 PolarHBondContact O-N 3.07Å; A26-E30 PolarHBondContact O-N 3.14Å
27	V	80.6	Confident	74.8	Confident	43 Å²	43	99.2 Å²	99.2	26%	0.261	57%	0.574	S	S	.	*	H	α-helix	trans	-66.8	-38.7	175.9	-177.5	0	0	0	0	110.7	A22 D23 E24 E30 I31	A22-V27 HydrophobicContact CB-CG2 3.62Å; D23-V27 PolarHBondContact O-N 3.28Å; E24-V27 PolarHBondContact O-N 3.44Å; V27-E30 PolarHBondContact O-N 2.83Å; V27-I31 HydrophobicContact CG1-CD1 3.78Å; V27-I31 HydrophobicContact CG1-CG1 4.33Å; V27-I31 WeakPolarHBondContact O-CB 3.45Å; V27-I31 VanDerWaalsContact O-CG1 3.22Å; V27-I31 WeakPolarHBondContact O-CG1 3.25Å; V27-I31 PolarHBondContact O-N 2.63Å
28	V	82.1	Confident	76.9	Confident	83 Å²	83	99.1 Å²	99.1	50%	0.503	57%	0.565	S	S	.	*	H	α-helix	trans	-64.2	-44.7	175.9	172.4	0	0	0	0	111.3	E24 A25 E30 I31 V32	E24-V28 VanDerWaalsContact O-CG2 3.24Å; E24-V28 WeakPolarHBondContact O-CG2 3.48Å; E24-V28 PolarHBondContact O-N 3.01Å; A25-V28 PolarHBondContact O-N 3.19Å; V28-E30 VanDerWaalsContact C-N 3.34Å; V28-E30 PolarHBondContact O-N 2.6Å; V28-I31 PolarHBondContact O-N 2.71Å; V28-V32 HydrophobicContact CG1-CG2 4.28Å; V28-V32 WeakPolarHBondContact O-CB 3.27Å; V28-V32 VanDerWaalsContact O-CG2 3.25Å; V28-V32 WeakPolarHBondContact O-CG2 3.26Å; V28-V32 PolarHBondContact O-N 2.71Å
29	E	82.5	Confident	78.9	Confident	133 Å²	133	96.3 Å²	96.3	62%	0.621	55%	0.552	S	S	*	*	H	α-helix	trans	-61.7	-40.6	175.8	-69.5	-70.8	157.3	0	0	111.8	A25 A26 T33	A25-E29 WeakPolarHBondContact O-CG 3.28Å; A25-E29 PolarHBondContact O-N 3.41Å; A26-E29 PolarHBondContact O-N 3.07Å; E29-T33 WeakPolarHBondContact O-CB 3.5Å; E29-T33 VanDerWaalsContact O-CG2 3.28Å; E29-T33 WeakPolarHBondContact O-CG2 3.43Å; E29-T33 PolarHBondContact O-N 3.45Å; E29-T33 PolarHBondContact O-OG1 3.09Å
30	E	85	Confident	81	Confident	122 Å²	122	95.5 Å²	95.5	57%	0.57	55%	0.547	S	S	*	.	H	α-helix	trans	-65.1	-43.9	175.1	-165.7	178.9	169.4	0	0	112	A26 V27 V28 T33 I34	A26-E30 PolarHBondContact O-N 3.14Å; V27-E30 PolarHBondContact O-N 2.83Å; V28-E30 VanDerWaalsContact C-N 3.34Å; V28-E30 PolarHBondContact O-N 2.6Å; E30-T33 WeakPolarHBondContact CA-OG1 3.14Å; E30-T33 PolarHBondContact O-N 3.02Å; E30-T33 PolarHBondContact O-OG1 3.3Å; E30-I34 HydrophobicContact CG-CD1 3.98Å; E30-I34 WeakPolarHBondContact O-CB 3.45Å; E30-I34 VanDerWaalsContact O-CG1 3.23Å; E30-I34 WeakPolarHBondContact O-CG1 3.15Å; E30-I34 PolarHBondContact O-N 3.16Å
31	I	87.7	Confident	83.1	Confident	97 Å²	97	90.8 Å²	90.8	50%	0.497	53%	0.53	S	S	.	.	H	α-helix	trans	-63.3	-46.6	176.9	-69	166.8	0	0	0	110.6	V27 V28 T33 I34 T35	V27-I31 HydrophobicContact CG1-CD1 3.78Å; V27-I31 HydrophobicContact CG1-CG1 4.33Å; V27-I31 WeakPolarHBondContact O-CB 3.45Å; V27-I31 VanDerWaalsContact O-CG1 3.22Å; V27-I31 WeakPolarHBondContact O-CG1 3.25Å; V27-I31 PolarHBondContact O-N 2.63Å; V28-I31 PolarHBondContact O-N 2.71Å; I31-T33 VanDerWaalsContact C-N 3.34Å; I31-T33 PolarHBondContact O-N 3.48Å; I31-I34 PolarHBondContact O-N 3.47Å; I31-T35 HydrophobicContact CG2-CG2 4.37Å; I31-T35 WeakPolarHBondContact O-CG2 3.26Å; I31-T35 PolarHBondContact O-N 3.39Å; I31-T35 PolarHBondContact O-OG1 3.41Å
32	V	89.1	Confident	85.2	Confident	67 Å²	67	89.7 Å²	89.7	41%	0.406	51%	0.513	S	S	.	.	H	α-helix	trans	-60.3	-45.9	179.6	172.3	0	0	0	0	110.3	V28 I34 T35 M36	V28-V32 HydrophobicContact CG1-CG2 4.28Å; V28-V32 WeakPolarHBondContact O-CB 3.27Å; V28-V32 VanDerWaalsContact O-CG2 3.25Å; V28-V32 WeakPolarHBondContact O-CG2 3.26Å; V28-V32 PolarHBondContact O-N 2.71Å; V32-I34 PolarHBondContact O-N 2.8Å; V32-T35 WeakPolarHBondContact CA-OG1 3.32Å; V32-T35 PolarHBondContact O-N 3.45Å; V32-T35 PolarHBondContact O-OG1 3.22Å; V32-M36 HydrophobicContact CG1-SD 4.23Å; V32-M36 WeakPolarHBondContact O-CG 3.43Å; V32-M36 PolarHBondContact O-N 2.73Å
33	T	87.6	Confident	86.8	Confident	74 Å²	74	90.7 Å²	90.7	45%	0.454	52%	0.516	S	S	.	.	H	α-helix	trans	-63.9	-41.4	177.4	54.1	0	0	0	0	112.7	E29 E30 I31 M36 V37	E29-T33 WeakPolarHBondContact O-CB 3.5Å; E29-T33 VanDerWaalsContact O-CG2 3.28Å; E29-T33 WeakPolarHBondContact O-CG2 3.43Å; E29-T33 PolarHBondContact O-N 3.45Å; E29-T33 PolarHBondContact O-OG1 3.09Å; E30-T33 WeakPolarHBondContact CA-OG1 3.14Å; E30-T33 PolarHBondContact O-N 3.02Å; E30-T33 PolarHBondContact O-OG1 3.3Å; I31-T33 VanDerWaalsContact C-N 3.34Å; I31-T33 PolarHBondContact O-N 3.48Å; T33-M36 PolarHBondContact O-N 3.45Å; T33-V37 VanDerWaalsContact O-CG2 3.29Å; T33-V37 WeakPolarHBondContact O-CG2 3.29Å; T33-V37 PolarHBondContact O-N 3.03Å
34	I	89.7	Confident	87.9	Confident	89 Å²	89	89.1 Å²	89.1	46%	0.456	51%	0.51	S	S	.	.	H	α-helix	trans	-61	-45.7	174.6	-68.9	166.3	0	0	0	110.6	E30 I31 V32 M36 V37 V38	E30-I34 HydrophobicContact CG-CD1 3.98Å; E30-I34 WeakPolarHBondContact O-CB 3.45Å; E30-I34 VanDerWaalsContact O-CG1 3.23Å; E30-I34 WeakPolarHBondContact O-CG1 3.15Å; E30-I34 PolarHBondContact O-N 3.16Å; I31-I34 PolarHBondContact O-N 3.47Å; V32-I34 PolarHBondContact O-N 2.8Å; I34-M36 PolarHBondContact O-N 3.21Å; I34-V37 PolarHBondContact O-N 3.3Å; I34-V38 HydrophobicContact CG2-CG2 4.21Å; I34-V38 WeakPolarHBondContact O-CB 3.17Å; I34-V38 VanDerWaalsContact O-CG2 3.26Å; I34-V38 WeakPolarHBondContact O-CG2 3.47Å; I34-V38 PolarHBondContact O-N 3.14Å
35	T	92.9	Very high	88.7	Confident	68 Å²	68	83.2 Å²	83.2	42%	0.417	49%	0.49	S	S	.	.	H	α-helix	trans	-60.2	-44.4	178.1	57.2	0	0	0	0	112	I31 V32 V37 V38 E39	I31-T35 HydrophobicContact CG2-CG2 4.37Å; I31-T35 WeakPolarHBondContact O-CG2 3.26Å; I31-T35 PolarHBondContact O-N 3.39Å; I31-T35 PolarHBondContact O-OG1 3.41Å; V32-T35 WeakPolarHBondContact CA-OG1 3.32Å; V32-T35 PolarHBondContact O-N 3.45Å; V32-T35 PolarHBondContact O-OG1 3.22Å; T35-V37 PolarHBondContact O-N 3.41Å; T35-V38 PolarHBondContact O-N 3.13Å; T35-E39 WeakPolarHBondContact O-CG 3.21Å; T35-E39 PolarHBondContact O-N 3.09Å
36	M	92.5	Very high	89.8	Confident	113 Å²	113	83.9 Å²	83.9	56%	0.557	49%	0.489	S	S	*	.	H	α-helix	trans	-61.3	-42.4	176	-67.9	179.9	74.5	0	0	112.3	V32 T33 I34 E39 V40	V32-M36 HydrophobicContact CG1-SD 4.23Å; V32-M36 WeakPolarHBondContact O-CG 3.43Å; V32-M36 PolarHBondContact O-N 2.73Å; T33-M36 PolarHBondContact O-N 3.45Å; I34-M36 PolarHBondContact O-N 3.21Å; M36-E39 PolarHBondContact O-N 3.23Å; M36-V40 VanDerWaalsContact O-CG2 3.27Å; M36-V40 WeakPolarHBondContact O-CG2 3.4Å; M36-V40 PolarHBondContact O-N 3.47Å
37	V	92.6	Very high	90.3	Very high	102 Å²	102	82.9 Å²	82.9	62%	0.618	48%	0.484	S	S	*	.	H	α-helix	trans	-65.7	-40.7	177.8	173.4	0	0	0	0	111.1	T33 I34 T35 A41	T33-V37 VanDerWaalsContact O-CG2 3.29Å; T33-V37 WeakPolarHBondContact O-CG2 3.29Å; T33-V37 PolarHBondContact O-N 3.03Å; I34-V37 PolarHBondContact O-N 3.3Å; T35-V37 PolarHBondContact O-N 3.41Å; V37-A41 VanDerWaalsContact O-CB 3.28Å; V37-A41 WeakPolarHBondContact O-CB 3.22Å; V37-A41 PolarHBondContact O-N 3.4Å
38	V	94.3	Very high	90.9	Very high	80 Å²	80	86.4 Å²	86.4	49%	0.485	50%	0.501	S	S	.	.	H	α-helix	trans	-64.9	-45.1	176.6	172.8	0	0	0	0	110.9	I34 T35 V40 A41 V42	I34-V38 HydrophobicContact CG2-CG2 4.21Å; I34-V38 WeakPolarHBondContact O-CB 3.17Å; I34-V38 VanDerWaalsContact O-CG2 3.26Å; I34-V38 WeakPolarHBondContact O-CG2 3.47Å; I34-V38 PolarHBondContact O-N 3.14Å; T35-V38 PolarHBondContact O-N 3.13Å; V38-V40 PolarHBondContact O-N 2.85Å; V38-A41 PolarHBondContact O-N 2.92Å; V38-V42 HydrophobicContact CG1-CG2 4.24Å; V38-V42 WeakPolarHBondContact O-CB 3.38Å; V38-V42 VanDerWaalsContact O-CG2 3.27Å; V38-V42 WeakPolarHBondContact O-CG2 3.48Å; V38-V42 PolarHBondContact O-N 3Å
39	E	93.5	Very high	91.3	Very high	130 Å²	130	86.9 Å²	86.9	61%	0.607	50%	0.499	S	S	*	.	H	α-helix	trans	-61.3	-43.2	177.9	-75.4	-177.6	172.6	0	0	112.6	T35 M36 V42 S43	T35-E39 WeakPolarHBondContact O-CG 3.21Å; T35-E39 PolarHBondContact O-N 3.09Å; M36-E39 PolarHBondContact O-N 3.23Å; E39-V42 PolarHBondContact O-N 3.22Å; E39-S43 WeakPolarHBondContact O-CB 3.29Å; E39-S43 PolarHBondContact O-N 3.09Å; E39-S43 PolarHBondContact O-OG 3.33Å
40	V	95	Very high	91.6	Very high	93 Å²	93	84.5 Å²	84.5	56%	0.564	49%	0.49	S	S	*	.	H	α-helix	trans	-65.7	-41.1	176.1	173.7	0	0	0	0	110.9	M36 V38 S43 T44	M36-V40 VanDerWaalsContact O-CG2 3.27Å; M36-V40 WeakPolarHBondContact O-CG2 3.4Å; M36-V40 PolarHBondContact O-N 3.47Å; V38-V40 PolarHBondContact O-N 2.85Å; V40-S43 PolarHBondContact O-N 3.32Å; V40-T44 WeakPolarHBondContact O-CB 3.32Å; V40-T44 WeakPolarHBondContact O-CG2 3.25Å; V40-T44 PolarHBondContact O-N 3.18Å; V40-T44 PolarHBondContact O-OG1 2.75Å
41	A	92.2	Very high	91.6	Very high	50 Å²	50	84.6 Å²	84.6	41%	0.413	49%	0.492	S	S	.	.	H	α-helix	trans	-65.7	-42	177.9	0	0	0	0	0	112.2	V37 V38 T44 A45	V37-A41 VanDerWaalsContact O-CB 3.28Å; V37-A41 WeakPolarHBondContact O-CB 3.22Å; V37-A41 PolarHBondContact O-N 3.4Å; V38-A41 PolarHBondContact O-N 2.92Å; A41-T44 WeakPolarHBondContact CA-OG1 3.31Å; A41-T44 PolarHBondContact O-OG1 3.24Å; A41-A45 VanDerWaalsContact O-CB 3.26Å; A41-A45 WeakPolarHBondContact O-CB 3.48Å; A41-A45 PolarHBondContact O-N 2.91Å
42	V	95.9	Very high	91.7	Very high	82 Å²	82	86.3 Å²	86.3	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-65.7	-45.7	176.5	173.7	0	0	0	0	110.7	V38 E39 T44 A45 V46	V38-V42 HydrophobicContact CG1-CG2 4.24Å; V38-V42 WeakPolarHBondContact O-CB 3.38Å; V38-V42 VanDerWaalsContact O-CG2 3.27Å; V38-V42 WeakPolarHBondContact O-CG2 3.48Å; V38-V42 PolarHBondContact O-N 3Å; E39-V42 PolarHBondContact O-N 3.22Å; V42-T44 VanDerWaalsContact C-N 3.35Å; V42-T44 PolarHBondContact O-N 3.05Å; V42-A45 PolarHBondContact O-N 3.24Å; V42-V46 HydrophobicContact CG1-CG2 4.25Å; V42-V46 WeakPolarHBondContact O-CB 3.47Å; V42-V46 VanDerWaalsContact O-CG2 3.27Å; V42-V46 WeakPolarHBondContact O-CG2 3.49Å; V42-V46 PolarHBondContact O-N 3.31Å
43	S	91.8	Very high	91.6	Very high	83 Å²	83	89.5 Å²	89.5	58%	0.58	51%	0.512	S	S	*	.	H	α-helix	trans	-62.8	-40.9	-179.8	-58.2	0	0	0	0	112.3	E39 V40 G47	E39-S43 WeakPolarHBondContact O-CB 3.29Å; E39-S43 PolarHBondContact O-N 3.09Å; E39-S43 PolarHBondContact O-OG 3.33Å; V40-S43 PolarHBondContact O-N 3.32Å; S43-G47 PolarHBondContact O-N 3.3Å
44	T	94.6	Very high	91.5	Very high	82 Å²	82	90.8 Å²	90.8	50%	0.503	52%	0.515	S	S	.	.	H	α-helix	trans	-70.1	-39.4	176.4	51.1	0	0	0	0	112.4	V40 A41 V42 G47 L48	V40-T44 WeakPolarHBondContact O-CB 3.32Å; V40-T44 WeakPolarHBondContact O-CG2 3.25Å; V40-T44 PolarHBondContact O-N 3.18Å; V40-T44 PolarHBondContact O-OG1 2.75Å; A41-T44 WeakPolarHBondContact CA-OG1 3.31Å; A41-T44 PolarHBondContact O-OG1 3.24Å; V42-T44 VanDerWaalsContact C-N 3.35Å; V42-T44 PolarHBondContact O-N 3.05Å; T44-G47 PolarHBondContact O-N 3.21Å; T44-L48 WeakPolarHBondContact O-CG 3.25Å; T44-L48 PolarHBondContact O-N 3.4Å
45	A	92	Very high	91	Very high	45 Å²	45	90.1 Å²	90.1	37%	0.372	52%	0.515	S	S	.	.	H	α-helix	trans	-64.1	-46.2	175.4	0	0	0	0	0	112.1	A41 V42 G47 L48 I49	A41-A45 VanDerWaalsContact O-CB 3.26Å; A41-A45 WeakPolarHBondContact O-CB 3.48Å; A41-A45 PolarHBondContact O-N 2.91Å; V42-A45 PolarHBondContact O-N 3.24Å; A45-G47 VanDerWaalsContact C-N 3.32Å; A45-G47 PolarHBondContact O-N 3.16Å; A45-L48 PolarHBondContact O-N 2.8Å; A45-I49 VanDerWaalsContact O-CG1 3.29Å; A45-I49 WeakPolarHBondContact O-CG1 3.11Å; A45-I49 PolarHBondContact O-N 3.42Å
46	V	94.9	Very high	90.3	Very high	72 Å²	72	89.6 Å²	89.6	44%	0.436	51%	0.512	S	S	.	.	H	α-helix	trans	-60.1	-44.3	176	172.2	0	0	0	0	110.4	V42 L48 I49 I50	V42-V46 HydrophobicContact CG1-CG2 4.25Å; V42-V46 WeakPolarHBondContact O-CB 3.47Å; V42-V46 VanDerWaalsContact O-CG2 3.27Å; V42-V46 WeakPolarHBondContact O-CG2 3.49Å; V42-V46 PolarHBondContact O-N 3.31Å; V46-L48 VanDerWaalsContact C-N 3.35Å; V46-L48 PolarHBondContact O-N 3.35Å; V46-I49 PolarHBondContact O-N 3.02Å; V46-I50 HydrophobicContact CG1-CD1 3.72Å; V46-I50 HydrophobicContact CG1-CG1 4.34Å; V46-I50 VanDerWaalsContact O-CG1 3.26Å; V46-I50 WeakPolarHBondContact O-CG1 3.45Å; V46-I50 PolarHBondContact O-N 3.34Å
47	G	90.6	Very high	89.7	Confident	33 Å²	33	88.5 Å²	88.5	34%	0.34	51%	0.512	S	S	.	.	H	α-helix	trans	-58.4	-42.7	175.4	0	0	0	0	0	113.3	S43 T44 A45 M51	S43-G47 PolarHBondContact O-N 3.3Å; T44-G47 PolarHBondContact O-N 3.21Å; A45-G47 VanDerWaalsContact C-N 3.32Å; A45-G47 PolarHBondContact O-N 3.16Å; G47-M51 VanDerWaalsContact O-CG 3.22Å; G47-M51 WeakPolarHBondContact O-CG 3.38Å; G47-M51 PolarHBondContact O-N 2.97Å; G47-M51 VanDerWaalsContact O-N 3.08Å
48	L	92.8	Very high	89	Confident	117 Å²	117	87.1 Å²	87.1	61%	0.613	50%	0.504	S	S	*	.	H	α-helix	trans	-67	-40.1	176.8	-73.7	172.5	0	0	0	112.7	T44 A45 V46 M51 L52	T44-L48 WeakPolarHBondContact O-CG 3.25Å; T44-L48 PolarHBondContact O-N 3.4Å; A45-L48 PolarHBondContact O-N 2.8Å; V46-L48 VanDerWaalsContact C-N 3.35Å; V46-L48 PolarHBondContact O-N 3.35Å; L48-M51 PolarHBondContact O-N 3.45Å; L48-L52 VanDerWaalsContact O-CG 3.31Å; L48-L52 WeakPolarHBondContact O-CG 3.3Å; L48-L52 PolarHBondContact O-N 3.45Å
49	I	90.7	Very high	88.2	Confident	92 Å²	92	86.9 Å²	86.9	47%	0.472	50%	0.502	S	S	.	.	H	α-helix	trans	-63.5	-47	177.6	-66.9	162.7	0	0	0	110.3	A45 V46 M51 L52 E53	A45-I49 VanDerWaalsContact O-CG1 3.29Å; A45-I49 WeakPolarHBondContact O-CG1 3.11Å; A45-I49 PolarHBondContact O-N 3.42Å; V46-I49 PolarHBondContact O-N 3.02Å; I49-M51 VanDerWaalsContact C-N 3.3Å; I49-M51 PolarHBondContact O-N 3.5Å; I49-L52 PolarHBondContact O-N 3.45Å; I49-L52 VanDerWaalsContact O-N 3.13Å; I49-E53 PolarHBondContact O-N 2.94Å
50	I	88.9	Confident	87	Confident	83 Å²	83	86.1 Å²	86.1	43%	0.426	50%	0.502	S	S	.	.	H	α-helix	trans	-57.5	-44.5	176.8	-69.7	172.3	0	0	0	110.7	V46 L52 E53 I54	V46-I50 HydrophobicContact CG1-CD1 3.72Å; V46-I50 HydrophobicContact CG1-CG1 4.34Å; V46-I50 VanDerWaalsContact O-CG1 3.26Å; V46-I50 WeakPolarHBondContact O-CG1 3.45Å; V46-I50 PolarHBondContact O-N 3.34Å; I50-L52 PolarHBondContact O-N 3.11Å; I50-E53 PolarHBondContact O-N 2.68Å; I50-I54 HydrophobicContact CG2-CD1 3.43Å; I50-I54 VanDerWaalsContact CG2-CD1 3.43Å; I50-I54 HydrophobicContact CG2-CG1 4.15Å; I50-I54 VanDerWaalsContact O-CB 3.29Å; I50-I54 WeakPolarHBondContact O-CB 3.23Å; I50-I54 VanDerWaalsContact O-CG1 3.31Å; I50-I54 WeakPolarHBondContact O-CG1 3.37Å; I50-I54 PolarHBondContact O-N 3.41Å
51	M	84.3	Confident	85.8	Confident	124 Å²	124	85.7 Å²	85.7	61%	0.611	50%	0.5	S	S	*	.	H	α-helix	trans	-64	-38.6	177.5	-70.9	-70.6	-74.7	0	0	112.5	G47 L48 I49 V55	G47-M51 VanDerWaalsContact O-CG 3.22Å; G47-M51 WeakPolarHBondContact O-CG 3.38Å; G47-M51 PolarHBondContact O-N 2.97Å; G47-M51 VanDerWaalsContact O-N 3.08Å; L48-M51 PolarHBondContact O-N 3.45Å; I49-M51 VanDerWaalsContact C-N 3.3Å; I49-M51 PolarHBondContact O-N 3.5Å; M51-V55 VanDerWaalsContact O-CB 3.31Å; M51-V55 WeakPolarHBondContact O-CB 3.26Å; M51-V55 WeakPolarHBondContact O-CG2 3.35Å; M51-V55 PolarHBondContact O-N 2.97Å
52	L	89.6	Confident	84.5	Confident	134 Å²	134	90 Å²	90	70%	0.702	51%	0.513	S	S	*	.	H	α-helix	trans	-73.5	-29.7	179.9	-71.2	173.4	0	0	0	113.4	L48 I49 I50 P56	L48-L52 VanDerWaalsContact O-CG 3.31Å; L48-L52 WeakPolarHBondContact O-CG 3.3Å; L48-L52 PolarHBondContact O-N 3.45Å; I49-L52 PolarHBondContact O-N 3.45Å; I49-L52 VanDerWaalsContact O-N 3.13Å; I50-L52 PolarHBondContact O-N 3.11Å; L52-P56 WeakPolarHBondContact O-CD 3.33Å; L52-P56 VanDerWaalsContact O-CG 3.25Å; L52-P56 WeakPolarHBondContact O-CG 3.28Å
53	E	86.6	Confident	83.3	Confident	134 Å²	134	91.3 Å²	91.3	63%	0.626	52%	0.521	S	S	*	.	H	α-helix	trans	-91.6	-36.4	-179.8	-68.9	-168.7	164.3	0	0	113.6	I49 I50 P56 V57	I49-E53 PolarHBondContact O-N 2.94Å; I50-E53 PolarHBondContact O-N 2.68Å; E53-P56 WeakPolarHBondContact O-CD 3.45Å; E53-P56 VanDerWaalsContact O-CG 3.28Å; E53-P56 WeakPolarHBondContact O-CG 3.28Å; E53-V57 WeakPolarHBondContact O-CG2 3.25Å
54	I	85.3	Confident	81.8	Confident	100 Å²	100	92.7 Å²	92.7	51%	0.513	53%	0.526	S	S	.	.	H	α-helix	trans	-76.7	-41.3	-177.1	-64.8	-176.2	0	0	0	111.2	I50 V57 V58	I50-I54 HydrophobicContact CG2-CD1 3.43Å; I50-I54 VanDerWaalsContact CG2-CD1 3.43Å; I50-I54 HydrophobicContact CG2-CG1 4.15Å; I50-I54 VanDerWaalsContact O-CB 3.29Å; I50-I54 WeakPolarHBondContact O-CB 3.23Å; I50-I54 VanDerWaalsContact O-CG1 3.31Å; I50-I54 WeakPolarHBondContact O-CG1 3.37Å; I50-I54 PolarHBondContact O-N 3.41Å; I54-V57 WeakPolarHBondContact O-CB 3.04Å; I54-V57 PolarHBondContact O-N 3.27Å; I54-V57 VanDerWaalsContact O-N 3.08Å; I54-V58 VanDerWaalsContact O-CG2 3.26Å; I54-V58 WeakPolarHBondContact O-CG2 3.4Å; I54-V58 PolarHBondContact O-N 3.45Å
55	V	79.9	Confident	80.4	Confident	75 Å²	75	94.3 Å²	94.3	46%	0.455	54%	0.535	S	S	.	.	H	α-helix	trans	-55.4	-46.3	-178.9	174.7	0	0	0	0	113.6	M51 V57 V58 V59	M51-V55 VanDerWaalsContact O-CB 3.31Å; M51-V55 WeakPolarHBondContact O-CB 3.26Å; M51-V55 WeakPolarHBondContact O-CG2 3.35Å; M51-V55 PolarHBondContact O-N 2.97Å; V55-V57 VanDerWaalsContact C-N 3.32Å; V55-V57 PolarHBondContact O-N 3.19Å; V55-V58 WeakPolarHBondContact O-CG2 3.15Å; V55-V58 PolarHBondContact O-N 3.44Å; V55-V59 WeakPolarHBondContact O-CG2 3.22Å; V55-V59 PolarHBondContact O-N 2.91Å; V55-V59 VanDerWaalsContact O-N 3.11Å
56	P	79.3	Confident	79	Confident	57 Å²	57	98.7 Å²	98.7	37%	0.37	56%	0.557	S	S	.	*	H	α-helix	trans	-62.9	-37.7	175.6	22.8	-32.2	0	0	0	112.5	L52 E53 V58 V59 D60	L52-P56 WeakPolarHBondContact O-CD 3.33Å; L52-P56 VanDerWaalsContact O-CG 3.25Å; L52-P56 WeakPolarHBondContact O-CG 3.28Å; E53-P56 WeakPolarHBondContact O-CD 3.45Å; E53-P56 VanDerWaalsContact O-CG 3.28Å; E53-P56 WeakPolarHBondContact O-CG 3.28Å; P56-V58 PolarHBondContact O-N 3.4Å; P56-V59 WeakPolarHBondContact O-CG2 3.37Å; P56-V59 PolarHBondContact O-N 3.4Å; P56-D60 WeakPolarHBondContact O-CB 3.4Å; P56-D60 PolarHBondContact O-N 3.36Å
57	V	79.2	Confident	77.4	Confident	91 Å²	91	103.7 Å²	103.7	55%	0.552	58%	0.576	S	S	*	*	H	α-helix	trans	-63.6	-44.6	178.6	177.7	0	0	0	0	111	E53 I54 V55 D60 T61	E53-V57 WeakPolarHBondContact O-CG2 3.25Å; I54-V57 WeakPolarHBondContact O-CB 3.04Å; I54-V57 PolarHBondContact O-N 3.27Å; I54-V57 VanDerWaalsContact O-N 3.08Å; V55-V57 VanDerWaalsContact C-N 3.32Å; V55-V57 PolarHBondContact O-N 3.19Å; V57-D60 PolarHBondContact O-N 3.08Å; V57-T61 WeakPolarHBondContact O-CG2 3.48Å; V57-T61 PolarHBondContact O-N 3.47Å; V57-T61 VanDerWaalsContact O-N 3.09Å; V57-T61 PolarHBondContact O-OG1 3.12Å
58	V	77.4	Confident	75.8	Confident	73 Å²	73	111.4 Å²	111.4	44%	0.442	60%	0.603	S	S	.	*	H	α-helix	trans	-66	-41.3	176.6	-93	0	0	0	0	112.1	I54 V55 P56 D60 T61 M62	I54-V58 VanDerWaalsContact O-CG2 3.26Å; I54-V58 WeakPolarHBondContact O-CG2 3.4Å; I54-V58 PolarHBondContact O-N 3.45Å; V55-V58 WeakPolarHBondContact O-CG2 3.15Å; V55-V58 PolarHBondContact O-N 3.44Å; P56-V58 PolarHBondContact O-N 3.4Å; V58-D60 PolarHBondContact O-N 2.88Å; V58-T61 WeakPolarHBondContact CA-OG1 3.07Å; V58-T61 PolarHBondContact O-N 2.91Å; V58-T61 PolarHBondContact O-OG1 3.32Å; V58-M62 VanDerWaalsContact O-CG 3.3Å; V58-M62 WeakPolarHBondContact O-CG 3.31Å; V58-M62 PolarHBondContact O-N 3.42Å
59	V	76.8	Confident	73.8	Confident	75 Å²	75	115.2 Å²	115.2	46%	0.455	62%	0.618	S	S	.	*	H	α-helix	trans	-65.9	-36.6	178	-61.6	0	0	0	0	112.4	V55 P56 M62 V63	V55-V59 WeakPolarHBondContact O-CG2 3.22Å; V55-V59 PolarHBondContact O-N 2.91Å; V55-V59 VanDerWaalsContact O-N 3.11Å; P56-V59 WeakPolarHBondContact O-CG2 3.37Å; P56-V59 PolarHBondContact O-N 3.4Å; V59-M62 PolarHBondContact O-N 3.38Å; V59-V63 WeakPolarHBondContact O-CG2 3.29Å; V59-V63 PolarHBondContact O-N 3.42Å
60	D	70.1	Confident	71.5	Confident	114 Å²	114	119.5 Å²	119.5	61%	0.61	64%	0.636	S	S	*	*	H	α-helix	trans	-65.2	-40.6	175.8	-77.5	-29.3	0	0	0	111.6	P56 V57 V58 M62 V63	P56-D60 WeakPolarHBondContact O-CB 3.4Å; P56-D60 PolarHBondContact O-N 3.36Å; V57-D60 PolarHBondContact O-N 3.08Å; V58-D60 PolarHBondContact O-N 2.88Å; D60-M62 VanDerWaalsContact C-N 3.28Å; D60-M62 PolarHBondContact O-N 3.32Å; D60-V63 PolarHBondContact O-N 2.75Å
61	T	69.2	Low	69.1	Low	83 Å²	83	124.6 Å²	124.6	51%	0.509	66%	0.658	S	S	.	*	H	α-helix	trans	-67.1	-28	175.4	59.5	0	0	0	0	113.2	V57 V58 V64	V57-T61 WeakPolarHBondContact O-CG2 3.48Å; V57-T61 PolarHBondContact O-N 3.47Å; V57-T61 VanDerWaalsContact O-N 3.09Å; V57-T61 PolarHBondContact O-OG1 3.12Å; V58-T61 WeakPolarHBondContact CA-OG1 3.07Å; V58-T61 PolarHBondContact O-N 2.91Å; V58-T61 PolarHBondContact O-OG1 3.32Å; T61-V64 VanDerWaalsContact O-CG2 3.22Å; T61-V64 WeakPolarHBondContact O-CG2 3.28Å
62	M	65.4	Low	67.6	Low	141 Å²	141	125.2 Å²	125.2	70%	0.695	67%	0.668	S	S	*	*	H	α-helix	trans	-73.8	-27.3	176.9	-71.6	175.1	113	0	0	112.9	V58 V59 D60 V64 V65	V58-M62 VanDerWaalsContact O-CG 3.3Å; V58-M62 WeakPolarHBondContact O-CG 3.31Å; V58-M62 PolarHBondContact O-N 3.42Å; V59-M62 PolarHBondContact O-N 3.38Å; D60-M62 VanDerWaalsContact C-N 3.28Å; D60-M62 PolarHBondContact O-N 3.32Å; M62-V64 VanDerWaalsContact C-N 3.28Å; M62-V64 PolarHBondContact O-N 3.38Å; M62-V65 WeakPolarHBondContact O-CG2 3.45Å
63	V	70.7	Confident	65.5	Low	110 Å²	110	125.4 Å²	125.4	67%	0.667	67%	0.674	S	S	*	*	H	α-helix	trans	-74.1	-20.8	179.2	177.5	0	0	0	0	111.8	V59 D60 V65	V59-V63 WeakPolarHBondContact O-CG2 3.29Å; V59-V63 PolarHBondContact O-N 3.42Å; D60-V63 PolarHBondContact O-N 2.75Å; V63-V65 PolarHBondContact O-N 3.33Å
64	V	59.6	Low	63.1	Low	112 Å²	112	128.3 Å²	128.3	68%	0.679	69%	0.69	S	S	*	*			trans	-94	52.5	178	-65.9	0	0	0	0	113	T61 M62	T61-V64 VanDerWaalsContact O-CG2 3.22Å; T61-V64 WeakPolarHBondContact O-CG2 3.28Å; M62-V64 VanDerWaalsContact C-N 3.28Å; M62-V64 PolarHBondContact O-N 3.38Å
65	V	65	Low	61.2	Low	115 Å²	115	126.9 Å²	126.9	70%	0.697	70%	0.701	S	S	*	*			trans	-136.4	83.3	160.4	-88.7	0	0	0	0	108.4	M62 V63	M62-V65 WeakPolarHBondContact O-CG2 3.45Å; V63-V65 PolarHBondContact O-N 3.33Å
66	V	62.2	Low	59.2	Low	138 Å²	138	131.2 Å²	131.2	84%	0.836	72%	0.721	S	S	*	*			trans	-120.4	84.4	162.3	-166.1	0	0	0	0	105.2
67	E	62.6	Low	57.1	Low	177 Å²	177	134.4 Å²	134.4	83%	0.827	74%	0.74	S	S	*	*			trans	-88.2	135.2	166.2	-66.4	-171.1	153.7	0	0	107.8
68	E	57.2	Low	55.2	Low	195 Å²	195	135.6 Å²	135.6	91%	0.911	75%	0.747	S	S	*	*			trans	-59.4	138	176.3	-66.3	-177.2	150.6	0	0	110.2	E70	E68-E70 PolarHBondContact O-N 2.91Å; E68-E70 VanDerWaalsContact O-N 3.09Å
69	E	49.5	Very low	53.5	Low	197 Å²	197	139.3 Å²	139.3	92%	0.921	77%	0.765	S	S	*	*			trans	-66.9	104.3	-177.9	-56.7	-178.3	172.5	0	0	110.1
70	E	43.9	Very low	52	Low	182 Å²	182	142.2 Å²	142.2	85%	0.85	78%	0.782	S	S	*	*			trans	-95.6	122.8	156.1	-148.4	-179.9	-168.7	0	0	108.5	E68 V72	E68-E70 PolarHBondContact O-N 2.91Å; E68-E70 VanDerWaalsContact O-N 3.09Å; E70-V72 PolarHBondContact O-N 3.47Å; E70-V72 VanDerWaalsContact O-N 3.09Å
71	E	38.1	Very low	50.6	Low	190 Å²	190	141.6 Å²	141.6	89%	0.888	79%	0.787	S	S	*	*			trans	-65.7	106.7	-173.9	-60.2	-169.4	174.1	0	0	111.3
72	V	52.8	Low	49.5	Very low	136 Å²	136	143.5 Å²	143.5	82%	0.824	80%	0.799	S	S	*	*			trans	-101	111.3	170.4	-174.6	0	0	0	0	110	E70	E70-V72 PolarHBondContact O-N 3.47Å; E70-V72 VanDerWaalsContact O-N 3.09Å
73	V	44.8	Very low	48.5	Very low	138 Å²	138	143.2 Å²	143.2	84%	0.836	81%	0.805	S	S	*	*			trans	-52.7	137.8	174.6	-96	0	0	0	0	113.6
74	M	36	Very low	47.5	Very low	195 Å²	195	143.6 Å²	143.6	96%	0.961	81%	0.807	S	S	*	*			trans	-50	132.8	-179.8	-64.5	168.7	80.2	0	0	113.6
75	G	45.4	Very low	46.8	Very low	71 Å²	71	140.4 Å²	140.4	73%	0.732	80%	0.797	S	S	*	*			trans	-149.3	98	165.3	0	0	0	0	0	111.1
76	D	38.5	Very low	46.3	Very low	166 Å²	166	145 Å²	145	89%	0.888	80%	0.802	S	S	*	*			trans	15.9	104.5	166.1	-56.1	-24.6	0	0	0	118.8
77	T	35.1	Very low	45.7	Very low	124 Å²	124	146 Å²	146	76%	0.761	80%	0.802	S	S	*	*			trans	-70.8	171.8	163.5	53.6	0	0	0	0	111.9
78	T	39.4	Very low	45.1	Very low	115 Å²	115	141.4 Å²	141.4	71%	0.706	79%	0.786	S	S	*	*			trans	91.6	97.9	166	75.3	0	0	0	0	114.9
79	N	41.9	Very low	44.8	Very low	151 Å²	151	137.4 Å²	137.4	81%	0.807	77%	0.771	S	S	*	*				167.3	75.3	122.9	-73.1	-27.4	0	0	0	109.4	S81	N79-S81 PolarHBondContact O-N 3.23Å
80	V	44.9	Very low	44.8	Very low	136 Å²	136	136.2 Å²	136.2	82%	0.824	77%	0.765	S	S	*	*			trans	-80.5	107.4	169.7	178.7	0	0	0	0	107.3
81	S	40.8	Very low	45.2	Very low	102 Å²	102	135.5 Å²	135.5	71%	0.713	76%	0.761	S	S	*	*			trans	-125.2	98.2	164.5	-64.4	0	0	0	0	106.4	N79 V83	N79-S81 PolarHBondContact O-N 3.23Å; S81-V83 PolarHBondContact O-N 3.01Å
82	T	45.8	Very low	45.7	Very low	123 Å²	123	129.7 Å²	129.7	76%	0.755	74%	0.735	S	S	*	*			trans	-70.7	108.6	173.5	28.2	0	0	0	0	108.6
83	V	44.6	Very low	45.8	Very low	135 Å²	135	129 Å²	129	82%	0.818	73%	0.732	S	S	*	*			trans	-96.3	93	170	-152.8	0	0	0	0	106.4	S81 G85	S81-V83 PolarHBondContact O-N 3.01Å; V83-G85 PolarHBondContact O-N 3.44Å
84	V	48.8	Very low	46.3	Very low	117 Å²	117	131.1 Å²	131.1	71%	0.709	73%	0.732	S	S	*	*			trans	-76.3	111.5	169.2	-173.3	0	0	0	0	106.6
85	G	46.1	Very low	46.9	Very low	45 Å²	45	125.9 Å²	125.9	46%	0.464	71%	0.706	S	S	.	*			trans	-63	133.1	176.9	0	0	0	0	0	110.6	V83 D87 T88	V83-G85 PolarHBondContact O-N 3.44Å; G85-D87 PolarHBondContact O-N 3.44Å; G85-T88 PolarHBondContact O-OG1 3.02Å
86	R	53.3	Low	47.3	Very low	213 Å²	213	127.2 Å²	127.2	80%	0.804	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-61.4	-21	-178.9	-94.6	-178	168.1	89.5	-0.7	114.1	T88 L89	R86-T88 VanDerWaalsContact C-N 3.3Å; R86-T88 PolarHBondContact O-N 3.28Å; R86-L89 PolarHBondContact O-N 3.19Å
87	D	49.4	Very low	48.3	Very low	157 Å²	157	125.9 Å²	125.9	84%	0.84	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-79.8	-8.4	-167.1	-56.5	-29.7	0	0	0	114	G85	G85-D87 PolarHBondContact O-N 3.44Å
88	T	51.5	Low	49.4	Very low	81 Å²	81	124.5 Å²	124.5	50%	0.497	69%	0.689	S	S	.	*	G	3₁₀ helix	trans	-87.5	-2.3	174.4	53.3	0	0	0	0	113.8	G85 R86 H90 E91 I92	G85-T88 PolarHBondContact O-OG1 3.02Å; R86-T88 VanDerWaalsContact C-N 3.3Å; R86-T88 PolarHBondContact O-N 3.28Å; T88-H90 PolarHBondContact O-N 3.23Å; T88-E91 PolarHBondContact O-N 2.78Å; T88-I92 WeakPolarHBondContact O-CD1 3.29Å; T88-I92 WeakPolarHBondContact O-CG1 3.31Å
89	L	50.5	Low	50	Low	112 Å²	112	123.6 Å²	123.6	59%	0.586	68%	0.677	S	S	*	*	H	α-helix	trans	-63.7	-23.7	178.6	-83.5	169	0	0	0	113.5	R86 V93	R86-L89 PolarHBondContact O-N 3.19Å; L89-V93 WeakPolarHBondContact O-CG2 3.29Å
90	H	49.3	Very low	50.8	Low	172 Å²	172	118.4 Å²	118.4	80%	0.796	65%	0.65	S	S	*	*	H	α-helix	trans	-82.3	-13.9	-174.7	-122.5	-72.3	0	0	0	114.7	T88	T88-H90 PolarHBondContact O-N 3.23Å
91	E	52.6	Low	51.2	Low	167 Å²	167	116.5 Å²	116.5	78%	0.78	64%	0.635	S	S	*	*	H	α-helix	trans	-93.9	-14.6	174.4	-74.5	-175	160.6	0	0	113	T88	T88-E91 PolarHBondContact O-N 2.78Å
92	I	48.4	Very low	51.6	Low	67 Å²	67	116 Å²	116	34%	0.344	63%	0.627	S	S	.	*	H	α-helix	trans	-86.2	-19.5	-175.5	-54.7	166.5	0	0	0	112	T88 Q94 M95	T88-I92 WeakPolarHBondContact O-CD1 3.29Å; T88-I92 WeakPolarHBondContact O-CG1 3.31Å; I92-Q94 PolarHBondContact O-N 3.36Å; I92-M95 PolarHBondContact O-N 3Å
93	V	55.8	Low	51.9	Low	123 Å²	123	112.8 Å²	112.8	75%	0.745	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-10.8	-174.5	-170	0	0	0	0	113.6	L89	L89-V93 WeakPolarHBondContact O-CG2 3.29Å
94	Q	54.7	Low	52.2	Low	181 Å²	181	112.4 Å²	112.4	85%	0.846	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-3.9	178.2	-65.3	-170.7	-17.8	0	0	113.7	I92	I92-Q94 PolarHBondContact O-N 3.36Å
95	M	47.6	Very low	52.1	Low	85 Å²	85	113.8 Å²	113.8	42%	0.419	61%	0.605	S	S	.	*	S	Bend	trans	-94.8	123.8	-178.2	-62.4	-174.7	94.2	0	0	109.1	I92 E99 V100	I92-M95 PolarHBondContact O-N 3Å; M95-E99 HydrophobicContact CB-CB 3.95Å; M95-E99 WeakPolarHBondContact CB-OE2 3.42Å; M95-E99 HydrophobicContact CE-CB 4.02Å; M95-E99 HydrophobicContact CE-CG 4.33Å; M95-E99 WeakPolarHBondContact CE-OE2 3.47Å; M95-V100 WeakPolarHBondContact O-CG2 3.06Å
96	T	54.8	Low	52.2	Low	99 Å²	99	116.4 Å²	116.4	61%	0.607	61%	0.612	S	S	*	*			trans	-58	151.2	176.7	50.1	0	0	0	0	111	S98 E99	T96-S98 PolarHBondContact O-N 3.04Å; T96-E99 PolarHBondContact O-N 3.13Å
97	D	59.1	Low	51.6	Low	138 Å²	138	114.7 Å²	114.7	74%	0.738	61%	0.613	S	S	*	*	H	α-helix	trans	-50.7	-27	-164.9	-52.1	-59.9	0	0	0	115.5
98	S	57.3	Low	51.1	Low	95 Å²	95	110.9 Å²	110.9	66%	0.664	61%	0.611	S	S	*	*	H	α-helix	trans	-71.6	-29.8	176.1	-52.9	0	0	0	0	114.2	T96	T96-S98 PolarHBondContact O-N 3.04Å
99	E	53.5	Low	50.4	Low	97 Å²	97	110.5 Å²	110.5	45%	0.453	62%	0.623	S	S	.	*	H	α-helix	trans	-81.5	-30.7	176.8	-69.9	-175.3	156.2	0	0	111.9	M95 T96 I101 V102 A103	M95-E99 HydrophobicContact CB-CB 3.95Å; M95-E99 WeakPolarHBondContact CB-OE2 3.42Å; M95-E99 HydrophobicContact CE-CB 4.02Å; M95-E99 HydrophobicContact CE-CG 4.33Å; M95-E99 WeakPolarHBondContact CE-OE2 3.47Å; T96-E99 PolarHBondContact O-N 3.13Å; E99-I101 VanDerWaalsContact C-N 3.33Å; E99-I101 PolarHBondContact O-N 2.99Å; E99-V102 PolarHBondContact O-N 3.44Å; E99-A103 PolarHBondContact O-N 3.22Å
100	V	58.1	Low	49.8	Very low	42 Å²	42	109 Å²	109	26%	0.255	63%	0.634	S	S	.	*	H	α-helix	trans	-61.5	-41.5	176.2	178.1	0	0	0	0	111.3	M95 V102 A103 I104	M95-V100 WeakPolarHBondContact O-CG2 3.06Å; V100-V102 VanDerWaalsContact C-N 3.33Å; V100-V102 PolarHBondContact O-N 3.36Å; V100-A103 PolarHBondContact O-N 3.45Å; V100-I104 HydrophobicContact CG1-CD1 3.74Å; V100-I104 HydrophobicContact CG1-CG1 4.45Å; V100-I104 VanDerWaalsContact O-CG1 3.28Å; V100-I104 WeakPolarHBondContact O-CG1 3.45Å; V100-I104 PolarHBondContact O-N 3.37Å
101	I	52.6	Low	49.5	Very low	96 Å²	96	104.7 Å²	104.7	49%	0.492	64%	0.637	S	S	.	*	H	α-helix	trans	-64.1	-40.4	178.2	-63.7	171.9	0	0	0	110.6	E99 I104 M105	E99-I101 VanDerWaalsContact C-N 3.33Å; E99-I101 PolarHBondContact O-N 2.99Å; I101-I104 PolarHBondContact O-N 3.21Å; I101-M105 HydrophobicContact CG2-CE 3.47Å; I101-M105 VanDerWaalsContact CG2-CE 3.47Å; I101-M105 HydrophobicContact CG2-CG 4.41Å; I101-M105 HydrophobicContact CG2-SD 3.87Å; I101-M105 WeakPolarHBondContact O-CB 3.43Å; I101-M105 VanDerWaalsContact O-CG 3.29Å; I101-M105 WeakPolarHBondContact O-CG 3.34Å; I101-M105 PolarHBondContact O-N 2.92Å
102	V	50	Low	49.5	Very low	92 Å²	92	100.4 Å²	100.4	56%	0.558	64%	0.637	S	S	*	*	H	α-helix	trans	-67.8	-42.4	176.6	-178.6	0	0	0	0	110.8	E99 V100 I104 M105 V106	E99-V102 PolarHBondContact O-N 3.44Å; V100-V102 VanDerWaalsContact C-N 3.33Å; V100-V102 PolarHBondContact O-N 3.36Å; V102-I104 VanDerWaalsContact C-N 3.3Å; V102-I104 PolarHBondContact O-N 3.08Å; V102-M105 PolarHBondContact O-N 3.47Å; V102-V106 HydrophobicContact CG1-CG2 4.26Å; V102-V106 VanDerWaalsContact O-CG2 3.23Å; V102-V106 WeakPolarHBondContact O-CG2 3.26Å; V102-V106 PolarHBondContact O-N 3.33Å
103	A	52	Low	49.5	Very low	55 Å²	55	100.1 Å²	100.1	46%	0.455	65%	0.651	S	S	.	*	H	α-helix	trans	-61.1	-37.3	177	0	0	0	0	0	112.7	E99 V100	E99-A103 PolarHBondContact O-N 3.22Å; V100-A103 PolarHBondContact O-N 3.45Å
104	I	50.9	Low	49.7	Very low	126 Å²	126	96.7 Å²	96.7	65%	0.646	64%	0.641	S	S	*	*	H	α-helix	trans	-76.1	-34.4	178.2	-63.2	167.4	0	0	0	111.7	V100 I101 V102	V100-I104 HydrophobicContact CG1-CD1 3.74Å; V100-I104 HydrophobicContact CG1-CG1 4.45Å; V100-I104 VanDerWaalsContact O-CG1 3.28Å; V100-I104 WeakPolarHBondContact O-CG1 3.45Å; V100-I104 PolarHBondContact O-N 3.37Å; I101-I104 PolarHBondContact O-N 3.21Å; V102-I104 VanDerWaalsContact C-N 3.3Å; V102-I104 PolarHBondContact O-N 3.08Å
105	M	46.1	Very low	50.3	Low	146 Å²	146	97.1 Å²	97.1	72%	0.719	64%	0.635	S	S	*	*	H	α-helix	trans	-80.8	-10.4	-178	-70.7	-175.6	-174.4	0	0	114.5	I101 V102	I101-M105 HydrophobicContact CG2-CE 3.47Å; I101-M105 VanDerWaalsContact CG2-CE 3.47Å; I101-M105 HydrophobicContact CG2-CG 4.41Å; I101-M105 HydrophobicContact CG2-SD 3.87Å; I101-M105 WeakPolarHBondContact O-CB 3.43Å; I101-M105 VanDerWaalsContact O-CG 3.29Å; I101-M105 WeakPolarHBondContact O-CG 3.34Å; I101-M105 PolarHBondContact O-N 2.92Å; V102-M105 PolarHBondContact O-N 3.47Å
106	V	48.9	Very low	51.3	Low	101 Å²	101	93.2 Å²	93.2	61%	0.612	62%	0.616	S	S	*	*	S	Bend	trans	-81.6	-21.3	179.4	172.3	0	0	0	0	113.4	V102	V102-V106 HydrophobicContact CG1-CG2 4.26Å; V102-V106 VanDerWaalsContact O-CG2 3.23Å; V102-V106 WeakPolarHBondContact O-CG2 3.26Å; V102-V106 PolarHBondContact O-N 3.33Å
107	E	41.5	Very low	51.9	Low	177 Å²	177	98.7 Å²	98.7	83%	0.827	63%	0.627	S	S	*	*	S	Bend	trans	-111	52.6	-176.3	-60.4	-157.5	164.7	0	0	113
108	G	38	Very low	52.1	Low	77 Å²	77	93.2 Å²	93.2	79%	0.794	60%	0.599	S	S	*	*	S	Bend	trans	-132.8	32.3	175.7	0	0	0	0	0	113.3
109	G	36	Very low	52.9	Low	72 Å²	72	90.3 Å²	90.3	74%	0.742	58%	0.578	S	S	*	*	S	Bend	trans	168.6	128.7	173.5	0	0	0	0	0	114.4
110	G	38.7	Very low	53.5	Low	80 Å²	80	87.7 Å²	87.7	83%	0.825	58%	0.577	S	S	*	*			trans	111.9	93.6	154.4	0	0	0	0	0	116
111	G	42.9	Very low	54.2	Low	82 Å²	82	91 Å²	91	85%	0.845	59%	0.59	S	S	*	*				34.7	120	129.7	0	0	0	0	0	120.5	G113	G111-G113 PolarHBondContact O-N 3.34Å
112	G	51.9	Low	55.3	Low	77 Å²	77	90.1 Å²	90.1	79%	0.794	59%	0.592	S	S	*	*			trans	86.2	4.1	135.5	0	0	0	0	0	119.1
113	G	48.5	Very low	56.5	Low	61 Å²	61	89.1 Å²	89.1	63%	0.629	60%	0.601	S	S	*	*			trans	-92.7	-0	179	0	0	0	0	0	116.6	G111 R115	G111-G113 PolarHBondContact O-N 3.34Å; G113-R115 PolarHBondContact O-N 3.48Å
114	G	60	Low	57.8	Low	52 Å²	52	88.2 Å²	88.2	54%	0.536	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-62.7	120.7	-175.7	0	0	0	0	0	112.1
115	R	67	Low	58.6	Low	190 Å²	190	87.9 Å²	87.9	72%	0.717	59%	0.586	S	S	*	*	B	Isolated β-bridge	trans	-63	132.4	167.2	-60.2	-179.4	-152.1	-148.7	5.5	108.4	G113 Y117 G120 E121	G113-R115 PolarHBondContact O-N 3.48Å; R115-Y117 PolarHBondContact O-N 3.26Å; R115-G120 VanDerWaalsContact CB-O 3.29Å; R115-G120 WeakPolarHBondContact CB-O 3.31Å; R115-G120 WeakPolarHBondContact CG-O 3.22Å; R115-E121 CarbonylContact C-O 3.56Å
116	C	69.2	Low	59.5	Low	3 Å²	3	82.8 Å²	82.8	2%	0.02	56%	0.563	C	S	.	*	P	Polyproline II helix	trans	-52.3	123.6	174.2	172.8	0	0	0	0	109.6	S118 C119 G120 E121 H124 C129	C116-S118 PolarHBondContact O-N 2.83Å; C116-S118 PolarHBondContact SG-N 3.49Å; C116-S118 VanDerWaalsContact SG-N 3.41Å; C116-C119 VanDerWaalsContact CB-SG 3.52Å; C116-C119 PolarHBondContact O-N 3.18Å; C116-G120 WeakPolarHBondContact O-CA 3.29Å; C116-G120 PolarHBondContact O-N 2.97Å; C116-E121 WeakPolarHBondContact CB-O 3.35Å; C116-E121 PolarHBondContact N-O 2.98Å; C116-H124 VanDerWaalsContact CB-CD2 3.45Å; C116-H124 WeakPolarHBondContact CB-CD2 3.27Å; C116-H124 WeakPolarHBondContact CB-NE2 3.26Å; C116-H124 VanDerWaalsContact SG-CD2 3.54Å; C116-H124 PolarHBondContact SG-NE2 2.86Å; C116-C129 VanDerWaalsContact SG-CB 3.56Å
117	Y	68.4	Low	60.3	Low	214 Å²	214	88.8 Å²	88.8	84%	0.839	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-8.8	-179.8	-59.9	-86.3	0	0	0	114	R115 V126	R115-Y117 PolarHBondContact O-N 3.26Å; Y117-V126 HydrophobicContact CD2-CG2 4.14Å; Y117-V126 HydrophobicContact CG-CG2 4.37Å
118	S	63	Low	61.6	Low	22 Å²	22	86.2 Å²	86.2	15%	0.154	57%	0.566	C	S	.	*	T	Hydrogen-bonded Turn	trans	-95.7	-44	179.3	-172.7	0	0	0	0	112.1	C116 N132 T136	C116-S118 PolarHBondContact O-N 2.83Å; C116-S118 PolarHBondContact SG-N 3.49Å; C116-S118 VanDerWaalsContact SG-N 3.41Å; S118-N132 VanDerWaalsContact CB-OD1 3.27Å; S118-N132 WeakPolarHBondContact CB-OD1 3.28Å; S118-N132 PolarHBondContact OG-OD1 2.96Å; S118-T136 PolarHBondContact OG-OG1 3.4Å; S118-T136 VanDerWaalsContact OG-OG1 3.14Å
119	C	72.9	Confident	63.3	Low	34 Å²	34	83 Å²	83	23%	0.23	53%	0.532	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-9.2	-178.4	68.8	0	0	0	0	115.3	C116 E121 H124 N131	C116-C119 VanDerWaalsContact CB-SG 3.52Å; C116-C119 PolarHBondContact O-N 3.18Å; C119-E121 VanDerWaalsContact C-N 3.3Å; C119-E121 PolarHBondContact O-N 3.49Å; C119-E121 PolarHBondContact SG-N 3.27Å; C119-H124 VanDerWaalsContact SG-CE1 3.55Å; C119-H124 PolarHBondContact SG-NE2 3.05Å; C119-N131 HydrophobicContact CB-CB 4.04Å
120	G	67.6	Low	65	Low	42 Å²	42	84.8 Å²	84.8	43%	0.433	53%	0.53	S	S	.	.			trans	78.8	3	-177.1	0	0	0	0	0	115.5	R115 C116	R115-G120 VanDerWaalsContact CB-O 3.29Å; R115-G120 WeakPolarHBondContact CB-O 3.31Å; R115-G120 WeakPolarHBondContact CG-O 3.22Å; C116-G120 WeakPolarHBondContact O-CA 3.29Å; C116-G120 PolarHBondContact O-N 2.97Å
121	E	71.3	Confident	66.3	Low	111 Å²	111	84.6 Å²	84.6	52%	0.519	51%	0.51	S	S	.	.			trans	-90.6	135.2	179.4	-63.6	-179.1	152.9	0	0	112.3	R115 C116 C119 H124	R115-E121 CarbonylContact C-O 3.56Å; C116-E121 WeakPolarHBondContact CB-O 3.35Å; C116-E121 PolarHBondContact N-O 2.98Å; C119-E121 VanDerWaalsContact C-N 3.3Å; C119-E121 PolarHBondContact O-N 3.49Å; C119-E121 PolarHBondContact SG-N 3.27Å; E121-H124 IonicContact OE2-CE1 2.63Å
122	S	75.8	Confident	67.2	Low	78 Å²	78	81.3 Å²	81.3	55%	0.545	47%	0.473	S	S	.	.	B	Isolated β-bridge	trans	-77	156.5	174.4	50.8	0	0	0	0	112.4
123	G	76	Confident	67.5	Low	72 Å²	72	83.9 Å²	83.9	74%	0.742	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.3	-5	175.6	0	0	0	0	0	114.8
124	H	80.3	Confident	68	Low	36 Å²	36	83.6 Å²	83.6	17%	0.167	46%	0.457	C	S	.	.	S	Bend	trans	-147.2	156.1	171.1	62.5	-97	0	0	0	111.2	C116 C119 E121 N128 C129	C116-H124 VanDerWaalsContact CB-CD2 3.45Å; C116-H124 WeakPolarHBondContact CB-CD2 3.27Å; C116-H124 WeakPolarHBondContact CB-NE2 3.26Å; C116-H124 VanDerWaalsContact SG-CD2 3.54Å; C116-H124 PolarHBondContact SG-NE2 2.86Å; C119-H124 VanDerWaalsContact SG-CE1 3.55Å; C119-H124 PolarHBondContact SG-NE2 3.05Å; E121-H124 IonicContact OE2-CE1 2.63Å; H124-N128 HydrophobicContact CB-CB 4.49Å; H124-C129 WeakPolarHBondContact CD2-CA 3.47Å; H124-C129 WeakPolarHBondContact NE2-CB 3.27Å; H124-C129 PolarHBondContact NE2-SG 2.92Å
125	I	66.8	Low	68.2	Low	119 Å²	119	85 Å²	85	61%	0.61	45%	0.452	S	S	*	.			trans	-89.5	158.3	173.8	-36.3	173.9	0	0	0	108.2	R127 N128 C129	I125-R127 PolarHBondContact O-N 2.99Å; I125-N128 CarbonylContact O-C 3.56Å; I125-N128 WeakPolarHBondContact O-CA 3.44Å; I125-N128 PolarHBondContact O-N 3.41Å; I125-C129 PolarHBondContact O-N 3.22Å; I125-C129 VanDerWaalsContact O-N 3.09Å
126	V	65.5	Low	68.2	Low	39 Å²	39	76.5 Å²	76.5	24%	0.236	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-39.8	-49	172.9	176.1	0	0	0	0	111.4	Y117 N128 C129 N132	Y117-V126 HydrophobicContact CD2-CG2 4.14Å; Y117-V126 HydrophobicContact CG-CG2 4.37Å; V126-N128 PolarHBondContact O-N 3.02Å; V126-N128 VanDerWaalsContact O-N 3.14Å; V126-C129 VanDerWaalsContact O-CB 3.26Å; V126-C129 WeakPolarHBondContact O-CB 3.49Å; V126-C129 PolarHBondContact O-N 3.48Å; V126-N132 PolarHBondContact O-ND2 3.45Å; V126-N132 PolarHBondContact O-OD1 3.42Å
127	R	64.8	Low	68.2	Low	227 Å²	227	79.7 Å²	79.7	86%	0.857	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-58.8	-30.3	-178.5	-66.2	-175.7	179.2	170.7	1.8	115.3	I125	I125-R127 PolarHBondContact O-N 2.99Å
128	N	69.7	Low	68.6	Low	123 Å²	123	69.5 Å²	69.5	66%	0.658	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-106.9	15.4	-179.8	-70.5	-9.8	0	0	0	112.2	H124 I125 V126 P130	H124-N128 HydrophobicContact CB-CB 4.49Å; I125-N128 CarbonylContact O-C 3.56Å; I125-N128 WeakPolarHBondContact O-CA 3.44Å; I125-N128 PolarHBondContact O-N 3.41Å; V126-N128 PolarHBondContact O-N 3.02Å; V126-N128 VanDerWaalsContact O-N 3.14Å; N128-P130 WeakPolarHBondContact O-CD 3.48Å
129	C	73.3	Confident	69	Low	10 Å²	10	74.7 Å²	74.7	7%	0.068	42%	0.415	C	S	.	.			trans	-65.9	121.3	-178.8	177.3	0	0	0	0	110.7	C116 H124 I125 V126 N131 N132	C116-C129 VanDerWaalsContact SG-CB 3.56Å; H124-C129 WeakPolarHBondContact CD2-CA 3.47Å; H124-C129 WeakPolarHBondContact NE2-CB 3.27Å; H124-C129 PolarHBondContact NE2-SG 2.92Å; I125-C129 PolarHBondContact O-N 3.22Å; I125-C129 VanDerWaalsContact O-N 3.09Å; V126-C129 VanDerWaalsContact O-CB 3.26Å; V126-C129 WeakPolarHBondContact O-CB 3.49Å; V126-C129 PolarHBondContact O-N 3.48Å; C129-N131 PolarHBondContact O-N 3.29Å; C129-N131 PolarHBondContact SG-N 3.42Å; C129-N131 VanDerWaalsContact SG-N 3.37Å; C129-N132 HydrophobicContact CB-CB 3.93Å; C129-N132 VanDerWaalsContact CB-CG 3.47Å; C129-N132 VanDerWaalsContact CB-OD1 3.28Å; C129-N132 WeakPolarHBondContact CB-OD1 3.34Å; C129-N132 WeakPolarHBondContact O-CB 3.36Å; C129-N132 PolarHBondContact O-N 2.78Å; C129-N132 PolarHBondContact SG-N 2.89Å; C129-N132 VanDerWaalsContact SG-N 3.44Å
130	P	71.6	Confident	69.1	Low	109 Å²	109	78 Å²	78	71%	0.708	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-24.1	176.4	27.2	-32.2	0	0	0	111.5	N128	N128-P130 WeakPolarHBondContact O-CD 3.48Å
131	N	66.1	Low	69.6	Low	75 Å²	75	77.1 Å²	77.1	40%	0.401	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	13.9	178.4	-160.9	32.2	0	0	0	113.8	C119 C129 N133	C119-N131 HydrophobicContact CB-CB 4.04Å; C129-N131 PolarHBondContact O-N 3.29Å; C129-N131 PolarHBondContact SG-N 3.42Å; C129-N131 VanDerWaalsContact SG-N 3.37Å; N131-N133 PolarHBondContact O-N 3.31Å
132	N	61.7	Low	69.6	Low	13 Å²	13	75.4 Å²	75.4	7%	0.07	40%	0.404	C	S	.	.	H	α-helix	trans	-65	-13.7	-168.3	-120.7	5.5	0	0	0	116.5	S118 V126 C129 T136	S118-N132 VanDerWaalsContact CB-OD1 3.27Å; S118-N132 WeakPolarHBondContact CB-OD1 3.28Å; S118-N132 PolarHBondContact OG-OD1 2.96Å; V126-N132 PolarHBondContact O-ND2 3.45Å; V126-N132 PolarHBondContact O-OD1 3.42Å; C129-N132 HydrophobicContact CB-CB 3.93Å; C129-N132 VanDerWaalsContact CB-CG 3.47Å; C129-N132 VanDerWaalsContact CB-OD1 3.28Å; C129-N132 WeakPolarHBondContact CB-OD1 3.34Å; C129-N132 WeakPolarHBondContact O-CB 3.36Å; C129-N132 PolarHBondContact O-N 2.78Å; C129-N132 PolarHBondContact SG-N 2.89Å; C129-N132 VanDerWaalsContact SG-N 3.44Å; N132-T136 PolarHBondContact O-OG1 3.05Å
133	N	59.1	Low	69.6	Low	131 Å²	131	76.7 Å²	76.7	70%	0.701	40%	0.4	S	S	*	.	H	α-helix	trans	-84.3	-20.8	-169.6	-79.9	7.5	0	0	0	113.3	N131 G145	N131-N133 PolarHBondContact O-N 3.31Å; N133-G145 WeakPolarHBondContact O-CA 3.39Å
134	S	57.7	Low	69.7	Low	56 Å²	56	80 Å²	80	39%	0.392	39%	0.391	S	S	.	.	H	α-helix	trans	-92.9	-45.1	-174.9	48.2	0	0	0	0	113.7
135	D	63.6	Low	69.6	Low	81 Å²	81	80.6 Å²	80.6	43%	0.433	41%	0.407	S	S	.	.	H	α-helix	trans	-108.8	0.5	-162.8	-55.5	-53.9	0	0	0	114.1	L137 Y144	D135-L137 PolarHBondContact O-N 2.87Å; D135-L137 VanDerWaalsContact O-N 3.16Å; D135-Y144 VanDerWaalsContact O-CD1 3.29Å; D135-Y144 WeakPolarHBondContact O-CD1 3.27Å
136	T	68.4	Low	70.3	Confident	11 Å²	11	77.1 Å²	77.1	7%	0.067	39%	0.388	C	S	.	.			trans	-71.4	112.9	176.6	-53.7	0	0	0	0	110.4	S118 N132 C138 Y144 G145 F147	S118-T136 PolarHBondContact OG-OG1 3.4Å; S118-T136 VanDerWaalsContact OG-OG1 3.14Å; N132-T136 PolarHBondContact O-OG1 3.05Å; T136-C138 PolarHBondContact O-N 3.49Å; T136-Y144 WeakPolarHBondContact O-CA 3.49Å; T136-G145 PolarHBondContact O-N 3.01Å; T136-F147 HydrophobicContact CG2-CD1 3.94Å; T136-F147 HydrophobicContact CG2-CE1 3.69Å; T136-F147 HydrophobicContact CG2-CZ 4.43Å
137	L	69.7	Low	70.8	Confident	71 Å²	71	79 Å²	79	37%	0.372	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-66	127.9	168	-77.3	101.1	0	0	0	110.4	D135 Y139 Y144	D135-L137 PolarHBondContact O-N 2.87Å; D135-L137 VanDerWaalsContact O-N 3.16Å; L137-Y139 PolarHBondContact O-N 2.96Å; L137-Y144 HydrophobicContact CD1-CD1 4.05Å; L137-Y144 HydrophobicContact CD1-CE1 3.22Å; L137-Y144 HydrophobicContact CD2-CE1 4.26Å; L137-Y144 HydrophobicContact CG-CD1 3.87Å; L137-Y144 HydrophobicContact CG-CE1 3.38Å; L137-Y144 HydrophobicContact CG-CE2 4.36Å
138	C	75.7	Confident	71.3	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.362	C	S	.	.			trans	-68.2	112.4	168.4	174	0	0	0	0	110.4	T136 R140 C141 N142 K143 H146	T136-C138 PolarHBondContact O-N 3.49Å; C138-R140 PolarHBondContact O-N 2.81Å; C138-R140 PolarHBondContact SG-N 3.46Å; C138-R140 VanDerWaalsContact SG-N 3.41Å; C138-C141 VanDerWaalsContact CB-SG 3.53Å; C138-C141 PolarHBondContact O-N 3.25Å; C138-C141 PolarHBondContact SG-SG 2.86Å; C138-N142 VanDerWaalsContact O-CA 3.25Å; C138-N142 WeakPolarHBondContact O-CA 3.02Å; C138-N142 PolarHBondContact O-N 3Å; C138-K143 WeakPolarHBondContact CB-O 3.39Å; C138-K143 PolarHBondContact N-O 3.48Å; C138-H146 VanDerWaalsContact CB-NE2 3.32Å; C138-H146 WeakPolarHBondContact CB-NE2 3.37Å; C138-H146 WeakPolarHBondContact CB-O 3.48Å; C138-H146 PolarHBondContact SG-NE2 3.05Å
139	Y	72.1	Confident	71.4	Confident	131 Å²	131	74.6 Å²	74.6	51%	0.514	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-1.7	176.3	-59.5	-82.1	0	0	0	115.7	L137	L137-Y139 PolarHBondContact O-N 2.96Å
140	R	74.1	Confident	71.5	Confident	103 Å²	103	79.1 Å²	79.1	39%	0.389	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-36.3	176.8	-164.3	-170.7	-63.4	-120.6	4.4	112.6	C138 A148 C151 G156	C138-R140 PolarHBondContact O-N 2.81Å; C138-R140 PolarHBondContact SG-N 3.46Å; C138-R140 VanDerWaalsContact SG-N 3.41Å; R140-A148 HydrophobicContact CB-CB 4.14Å; R140-A148 PolarHBondContact NE-O 3.44Å; R140-A148 VanDerWaalsContact NE-O 3.09Å; R140-A148 PolarHBondContact NH2-O 2.75Å; R140-C151 HydrophobicContact CB-CB 4.22Å; R140-G156 VanDerWaalsContact O-CA 3.31Å; R140-G156 WeakPolarHBondContact O-CA 3.47Å
141	C	78.3	Confident	72	Confident	24 Å²	24	74.9 Å²	74.9	16%	0.162	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-1.5	-176.1	69.3	0	0	0	0	114.7	C138 K143 H146 E153	C138-C141 VanDerWaalsContact CB-SG 3.53Å; C138-C141 PolarHBondContact O-N 3.25Å; C138-C141 PolarHBondContact SG-SG 2.86Å; C141-K143 PolarHBondContact O-N 2.84Å; C141-H146 PolarHBondContact SG-CE1 3.42Å; C141-H146 PolarHBondContact SG-NE2 3.45Å; C141-E153 HydrophobicContact CB-CB 4.24Å; C141-E153 VanDerWaalsContact CB-OE2 3.25Å; C141-E153 WeakPolarHBondContact CB-OE2 3.22Å
142	N	71.7	Confident	72.6	Confident	75 Å²	75	77.5 Å²	77.5	40%	0.401	39%	0.387	S	S	.	.			trans	55.1	24.2	-174.9	-61.2	-33.6	0	0	0	114.7	C138 Y167	C138-N142 VanDerWaalsContact O-CA 3.25Å; C138-N142 WeakPolarHBondContact O-CA 3.02Å; C138-N142 PolarHBondContact O-N 3Å; N142-Y167 PolarHBondContact ND2-OH 3.07Å
143	K	75	Confident	73.2	Confident	104 Å²	104	80.2 Å²	80.2	45%	0.452	40%	0.4	S	S	.	.			trans	-98.2	145.1	172.1	-59.5	-174.9	-178.6	-174	0	110.4	C138 C141 E153	C138-K143 WeakPolarHBondContact CB-O 3.39Å; C138-K143 PolarHBondContact N-O 3.48Å; C141-K143 PolarHBondContact O-N 2.84Å; K143-E153 WeakPolarHBondContact CD-OE1 3.4Å; K143-E153 VanDerWaalsContact CE-OE1 3.26Å; K143-E153 WeakPolarHBondContact CE-OE1 3.29Å; K143-E153 VanDerWaalsContact CE-OE2 3.32Å; K143-E153 WeakPolarHBondContact CE-OE2 3.26Å; K143-E153 IonicContact NZ-OE1 3.48Å; K143-E153 PolarHBondContact NZ-OE1 3.24Å; K143-E153 IonicContact NZ-OE2 3.66Å; K143-E153 PolarHBondContact NZ-OE2 2.94Å
144	Y	78.3	Confident	73.4	Confident	142 Å²	142	80.1 Å²	80.1	56%	0.557	41%	0.409	S	S	*	.	B	Isolated β-bridge	trans	-74.5	162.8	175.4	-59.6	-88	0	0	0	111.4	D135 T136 L137	D135-Y144 VanDerWaalsContact O-CD1 3.29Å; D135-Y144 WeakPolarHBondContact O-CD1 3.27Å; T136-Y144 WeakPolarHBondContact O-CA 3.49Å; L137-Y144 HydrophobicContact CD1-CD1 4.05Å; L137-Y144 HydrophobicContact CD1-CE1 3.22Å; L137-Y144 HydrophobicContact CD2-CE1 4.26Å; L137-Y144 HydrophobicContact CG-CD1 3.87Å; L137-Y144 HydrophobicContact CG-CE1 3.38Å; L137-Y144 HydrophobicContact CG-CE2 4.36Å
145	G	78.4	Confident	73.5	Confident	48 Å²	48	80.9 Å²	80.9	50%	0.495	43%	0.426	S	S	.	.	S	Bend	trans	95.8	-0.6	169.1	0	0	0	0	0	116.5	N133 T136	N133-G145 WeakPolarHBondContact O-CA 3.39Å; T136-G145 PolarHBondContact O-N 3.01Å
146	H	81.7	Confident	73.4	Confident	46 Å²	46	78 Å²	78	21%	0.213	42%	0.416	C	S	.	.	S	Bend	trans	-157.9	158.4	176.9	65.2	-79.6	0	0	0	112.8	C138 C141 C151	C138-H146 VanDerWaalsContact CB-NE2 3.32Å; C138-H146 WeakPolarHBondContact CB-NE2 3.37Å; C138-H146 WeakPolarHBondContact CB-O 3.48Å; C138-H146 PolarHBondContact SG-NE2 3.05Å; C141-H146 PolarHBondContact SG-CE1 3.42Å; C141-H146 PolarHBondContact SG-NE2 3.45Å; H146-C151 WeakPolarHBondContact CD2-CA 3.48Å
147	F	75.6	Confident	73.1	Confident	78 Å²	78	81.2 Å²	81.2	34%	0.342	44%	0.438	S	S	.	.			trans	-84.3	156	174.2	-65.7	-78	0	0	0	111.8	T136 R149 D150 C151	T136-F147 HydrophobicContact CG2-CD1 3.94Å; T136-F147 HydrophobicContact CG2-CE1 3.69Å; T136-F147 HydrophobicContact CG2-CZ 4.43Å; F147-R149 PolarHBondContact O-N 2.89Å; F147-D150 CarbonylContact O-C 3.44Å; F147-D150 PolarHBondContact O-N 3.27Å; F147-C151 PolarHBondContact O-N 2.89Å; F147-C151 VanDerWaalsContact O-N 3.13Å
148	A	74.7	Confident	73.2	Confident	25 Å²	25	79 Å²	79	21%	0.207	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-14.7	176	0	0	0	0	0	114.9	R140	R140-A148 HydrophobicContact CB-CB 4.14Å; R140-A148 PolarHBondContact NE-O 3.44Å; R140-A148 VanDerWaalsContact NE-O 3.09Å; R140-A148 PolarHBondContact NH2-O 2.75Å
149	R	72.9	Confident	73.1	Confident	233 Å²	233	82.4 Å²	82.4	88%	0.879	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-34.2	172.5	-66.7	-174.9	175.7	-166	-1.9	112.8	F147	F147-R149 PolarHBondContact O-N 2.89Å
150	D	76.1	Confident	73.3	Confident	106 Å²	106	78 Å²	78	57%	0.567	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	6.6	-178.4	-52.6	-58.6	0	0	0	112.4	F147 T152	F147-D150 CarbonylContact O-C 3.44Å; F147-D150 PolarHBondContact O-N 3.27Å; D150-T152 PolarHBondContact O-N 3.32Å; D150-T152 VanDerWaalsContact O-N 3.08Å
151	C	81.1	Confident	73.7	Confident	19 Å²	19	73 Å²	73	13%	0.128	42%	0.421	C	S	.	.			trans	-66.2	107.4	178.3	-177.1	0	0	0	0	110.8	R140 H146 F147 E153	R140-C151 HydrophobicContact CB-CB 4.22Å; H146-C151 WeakPolarHBondContact CD2-CA 3.48Å; F147-C151 PolarHBondContact O-N 2.89Å; F147-C151 VanDerWaalsContact O-N 3.13Å; C151-E153 PolarHBondContact O-N 2.88Å
152	T	79.5	Confident	73.8	Confident	130 Å²	130	80.6 Å²	80.6	80%	0.798	45%	0.447	S	S	*	.			trans	-76.1	-8.1	174	56.1	0	0	0	0	113	D150 S154	D150-T152 PolarHBondContact O-N 3.32Å; D150-T152 VanDerWaalsContact O-N 3.08Å; T152-S154 PolarHBondContact O-N 3.28Å
153	E	73.6	Confident	74.4	Confident	70 Å²	70	81.7 Å²	81.7	33%	0.327	45%	0.448	S	S	.	.			trans	-79.4	102.1	176.7	-55.4	-161.2	158	0	0	110.7	C141 K143 C151 G155	C141-E153 HydrophobicContact CB-CB 4.24Å; C141-E153 VanDerWaalsContact CB-OE2 3.25Å; C141-E153 WeakPolarHBondContact CB-OE2 3.22Å; K143-E153 WeakPolarHBondContact CD-OE1 3.4Å; K143-E153 VanDerWaalsContact CE-OE1 3.26Å; K143-E153 WeakPolarHBondContact CE-OE1 3.29Å; K143-E153 VanDerWaalsContact CE-OE2 3.32Å; K143-E153 WeakPolarHBondContact CE-OE2 3.26Å; K143-E153 IonicContact NZ-OE1 3.48Å; K143-E153 PolarHBondContact NZ-OE1 3.24Å; K143-E153 IonicContact NZ-OE2 3.66Å; K143-E153 PolarHBondContact NZ-OE2 2.94Å; C151-E153 PolarHBondContact O-N 2.88Å; E153-G155 PolarHBondContact O-N 3.44Å; E153-G155 VanDerWaalsContact O-N 3.16Å
154	S	63.7	Low	74.9	Confident	129 Å²	129	78.8 Å²	78.8	90%	0.902	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	1	174.3	-61.4	0	0	0	0	114.3	T152	T152-S154 PolarHBondContact O-N 3.28Å
155	G	59.8	Low	74.9	Confident	72 Å²	72	78 Å²	78	74%	0.742	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-3.9	-176.2	0	0	0	0	0	115.4	E153 S157	E153-G155 PolarHBondContact O-N 3.44Å; E153-G155 VanDerWaalsContact O-N 3.16Å; G155-S157 PolarHBondContact O-N 2.95Å
156	G	60.4	Low	75	Confident	21 Å²	21	76.8 Å²	76.8	22%	0.216	43%	0.429	C	S	.	.	S	Bend	trans	-72.5	126	177.8	0	0	0	0	0	110.6	R140 G158	R140-G156 VanDerWaalsContact O-CA 3.31Å; R140-G156 WeakPolarHBondContact O-CA 3.47Å; G156-G158 PolarHBondContact O-N 3.27Å
157	S	63.7	Low	75	Confident	78 Å²	78	79.1 Å²	79.1	55%	0.545	44%	0.437	S	S	.	.			trans	-62.3	69.5	179.5	-64.3	0	0	0	0	112.1	G155 Y167 G168	G155-S157 PolarHBondContact O-N 2.95Å; S157-Y167 VanDerWaalsContact CB-CB 3.44Å; S157-Y167 WeakPolarHBondContact O-CB 3.28Å; S157-Y167 WeakPolarHBondContact O-CD1 3.5Å; S157-G168 PolarHBondContact O-N 3.48Å
158	G	70.1	Confident	75.4	Confident	25 Å²	25	78.3 Å²	78.3	26%	0.258	45%	0.451	S	S	.	.	S	Bend	trans	57	-170.1	-179.6	0	0	0	0	0	114.4	G156	G156-G158 PolarHBondContact O-N 3.27Å
159	P	73.6	Confident	76	Confident	72 Å²	72	79.5 Å²	79.5	47%	0.468	45%	0.452	S	S	.	.	S	Bend	trans	-64.3	142.4	171	28.6	-33.7	0	0	0	110.2	G168 I170	P159-G168 PolarHBondContact O-N 3.44Å; P159-I170 HydrophobicContact CG-CG1 4.04Å
160	Q	77.3	Confident	76.6	Confident	37 Å²	37	72.7 Å²	72.7	17%	0.173	43%	0.432	C	S	.	.	B	Isolated β-bridge	trans	-74.6	137.1	167.9	-164.7	-179.5	14.7	0	0	109.8	Y162 H165 G166 Y167	Q160-Y162 PolarHBondContact O-N 2.98Å; Q160-H165 VanDerWaalsContact CG-O 3.28Å; Q160-H165 WeakPolarHBondContact CG-O 3.25Å; Q160-H165 VanDerWaalsContact NE2-CB 3.3Å; Q160-H165 PolarHBondContact NE2-ND1 3.43Å; Q160-H165 PolarHBondContact NE2-O 3.36Å; Q160-G166 CarbonylContact C-O 3.51Å; Q160-G166 WeakPolarHBondContact CA-O 3.47Å; Q160-Y167 HydrophobicContact CB-CD1 4.31Å; Q160-Y167 HydrophobicContact CB-CE1 4.06Å; Q160-Y167 HydrophobicContact CG-CE1 4.19Å
161	C	81.8	Confident	76.9	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-70.8	120.2	173.2	177.5	0	0	0	0	109.9	K163 H165 G166 H169	C161-K163 PolarHBondContact O-N 3.01Å; C161-K163 VanDerWaalsContact O-N 3.12Å; C161-K163 PolarHBondContact SG-N 3.31Å; C161-K163 VanDerWaalsContact SG-N 3.42Å; C161-H165 WeakPolarHBondContact O-CA 3.23Å; C161-H165 PolarHBondContact O-N 2.89Å; C161-G166 WeakPolarHBondContact CB-O 3.47Å; C161-G166 PolarHBondContact N-O 2.99Å; C161-H169 VanDerWaalsContact CB-NE2 3.29Å; C161-H169 WeakPolarHBondContact CB-NE2 3.47Å; C161-H169 PolarHBondContact SG-NE2 2.88Å; C161-H169 VanDerWaalsContact SG-NE2 3.38Å
162	Y	81.8	Confident	77	Confident	182 Å²	182	74.1 Å²	74.1	71%	0.714	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.1	176.8	-60.3	-81.1	0	0	0	114.2	Q160 A171	Q160-Y162 PolarHBondContact O-N 2.98Å; Y162-A171 HydrophobicContact CD2-CB 4.36Å
163	K	83	Confident	77.2	Confident	99 Å²	99	77.8 Å²	77.8	43%	0.43	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-44.6	-177.6	-166.5	-177.8	-175.4	-165.2	0	113.2	C161 C174 V176	C161-K163 PolarHBondContact O-N 3.01Å; C161-K163 VanDerWaalsContact O-N 3.12Å; C161-K163 PolarHBondContact SG-N 3.31Å; C161-K163 VanDerWaalsContact SG-N 3.42Å; K163-C174 HydrophobicContact CB-CB 4.37Å; K163-C174 HydrophobicContact CD-CB 4.26Å; K163-V176 WeakPolarHBondContact CE-O 3.46Å; K163-V176 PolarHBondContact NZ-O 3.02Å
164	C	85.5	Confident	77.9	Confident	43 Å²	43	75.6 Å²	75.6	29%	0.291	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	3.6	-175.8	71.9	0	0	0	0	114.2	G166 H169 C174 V176	C164-G166 PolarHBondContact O-N 3.38Å; C164-G166 PolarHBondContact SG-N 3.01Å; C164-H169 PolarHBondContact SG-CE1 3.46Å; C164-H169 PolarHBondContact SG-NE2 3.39Å; C164-C174 PolarHBondContact SG-SG 2.88Å; C164-V176 HydrophobicContact CB-CB 4.16Å; C164-V176 HydrophobicContact CB-CG2 3.85Å
165	H	78.5	Confident	78.9	Confident	125 Å²	125	76.5 Å²	76.5	58%	0.579	44%	0.438	S	S	*	.			trans	57.4	8.5	-175.5	-66	-72.4	0	0	0	115.4	Q160 C161	Q160-H165 VanDerWaalsContact CG-O 3.28Å; Q160-H165 WeakPolarHBondContact CG-O 3.25Å; Q160-H165 VanDerWaalsContact NE2-CB 3.3Å; Q160-H165 PolarHBondContact NE2-ND1 3.43Å; Q160-H165 PolarHBondContact NE2-O 3.36Å; C161-H165 WeakPolarHBondContact O-CA 3.23Å; C161-H165 PolarHBondContact O-N 2.89Å
166	G	80.8	Confident	79.9	Confident	23 Å²	23	76.3 Å²	76.3	24%	0.237	42%	0.423	C	S	.	.			trans	-75.8	161	175	0	0	0	0	0	112.7	Q160 C161 C164	Q160-G166 CarbonylContact C-O 3.51Å; Q160-G166 WeakPolarHBondContact CA-O 3.47Å; C161-G166 WeakPolarHBondContact CB-O 3.47Å; C161-G166 PolarHBondContact N-O 2.99Å; C164-G166 PolarHBondContact O-N 3.38Å; C164-G166 PolarHBondContact SG-N 3.01Å
167	Y	82.3	Confident	80.6	Confident	95 Å²	95	83.9 Å²	83.9	37%	0.373	45%	0.453	S	S	.	.	B	Isolated β-bridge	trans	-102	160.2	-175.9	-74.9	-72.7	0	0	0	112.1	N142 S157 Q160 H169	N142-Y167 PolarHBondContact ND2-OH 3.07Å; S157-Y167 VanDerWaalsContact CB-CB 3.44Å; S157-Y167 WeakPolarHBondContact O-CB 3.28Å; S157-Y167 WeakPolarHBondContact O-CD1 3.5Å; Q160-Y167 HydrophobicContact CB-CD1 4.31Å; Q160-Y167 HydrophobicContact CB-CE1 4.06Å; Q160-Y167 HydrophobicContact CG-CE1 4.19Å; Y167-H169 PolarHBondContact O-N 2.97Å; Y167-H169 PolarHBondContact O-ND1 3.36Å
168	G	83.8	Confident	80.3	Confident	61 Å²	61	87.3 Å²	87.3	63%	0.629	49%	0.485	S	S	*	.	S	Bend	trans	80.1	4.1	173.5	0	0	0	0	0	116.4	S157 P159	S157-G168 PolarHBondContact O-N 3.48Å; P159-G168 PolarHBondContact O-N 3.44Å
169	H	87.7	Confident	80.8	Confident	49 Å²	49	90.4 Å²	90.4	23%	0.227	50%	0.497	C	S	.	.	S	Bend	trans	-145.6	156.6	175.2	67.1	-78.6	0	0	0	111.9	C161 C164 Y167	C161-H169 VanDerWaalsContact CB-NE2 3.29Å; C161-H169 WeakPolarHBondContact CB-NE2 3.47Å; C161-H169 PolarHBondContact SG-NE2 2.88Å; C161-H169 VanDerWaalsContact SG-NE2 3.38Å; C164-H169 PolarHBondContact SG-CE1 3.46Å; C164-H169 PolarHBondContact SG-NE2 3.39Å; Y167-H169 PolarHBondContact O-N 2.97Å; Y167-H169 PolarHBondContact O-ND1 3.36Å
170	I	84	Confident	81.2	Confident	91 Å²	91	91.4 Å²	91.4	47%	0.467	50%	0.498	S	S	.	.			trans	-93.9	152.5	178.1	-58.9	166.3	0	0	0	108.4	P159 S172 R173 C174	P159-I170 HydrophobicContact CG-CG1 4.04Å; I170-S172 PolarHBondContact O-N 3.44Å; I170-R173 CarbonylContact O-C 3.6Å; I170-R173 WeakPolarHBondContact O-CA 3.24Å; I170-R173 PolarHBondContact O-N 3.26Å; I170-C174 PolarHBondContact O-N 3.06Å
171	A	83.6	Confident	81.4	Confident	36 Å²	36	94.4 Å²	94.4	30%	0.298	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-48.1	-34.9	179.3	0	0	0	0	0	114	Y162 R173 C174	Y162-A171 HydrophobicContact CD2-CB 4.36Å; A171-R173 PolarHBondContact O-N 3.5Å; A171-C174 WeakPolarHBondContact O-CB 3.4Å; A171-C174 PolarHBondContact O-N 3.3Å
172	S	82.4	Confident	81.4	Confident	118 Å²	118	99.9 Å²	99.9	83%	0.825	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-65.6	-16.8	175.8	-43.5	0	0	0	0	114.9	I170	I170-S172 PolarHBondContact O-N 3.44Å
173	R	83.5	Confident	81.4	Confident	207 Å²	207	94.8 Å²	94.8	78%	0.781	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-118.4	20.7	176.2	-62.3	-168.9	-178	134.4	1.1	112	I170 A171 N175	I170-R173 CarbonylContact O-C 3.6Å; I170-R173 WeakPolarHBondContact O-CA 3.24Å; I170-R173 PolarHBondContact O-N 3.26Å; A171-R173 PolarHBondContact O-N 3.5Å; R173-N175 PolarHBondContact O-N 3.15Å
174	C	87.7	Confident	81.3	Confident	24 Å²	24	94.5 Å²	94.5	16%	0.162	54%	0.543	C	S	.	.			trans	-71.1	128.2	175.8	-168.5	0	0	0	0	109.7	K163 C164 I170 A171 V176	K163-C174 HydrophobicContact CB-CB 4.37Å; K163-C174 HydrophobicContact CD-CB 4.26Å; C164-C174 PolarHBondContact SG-SG 2.88Å; I170-C174 PolarHBondContact O-N 3.06Å; A171-C174 WeakPolarHBondContact O-CB 3.4Å; A171-C174 PolarHBondContact O-N 3.3Å; C174-V176 VanDerWaalsContact C-N 3.28Å
175	N	84.9	Confident	81	Confident	148 Å²	148	98.2 Å²	98.2	79%	0.791	56%	0.561	S	S	*	*			trans	-84.2	-4.1	176.6	80.2	-4.1	0	0	0	113.2	R173 E177	R173-N175 PolarHBondContact O-N 3.15Å; N175-E177 PolarHBondContact O-N 2.85Å
176	V	81.9	Confident	81.1	Confident	69 Å²	69	96.2 Å²	96.2	42%	0.418	56%	0.56	S	S	.	*			trans	-87	110.9	179.9	-173.6	0	0	0	0	107.3	K163 C164 C174	K163-V176 WeakPolarHBondContact CE-O 3.46Å; K163-V176 PolarHBondContact NZ-O 3.02Å; C164-V176 HydrophobicContact CB-CB 4.16Å; C164-V176 HydrophobicContact CB-CG2 3.85Å; C174-V176 VanDerWaalsContact C-N 3.28Å
177	E	75.1	Confident	81.2	Confident	180 Å²	180	102.3 Å²	102.3	84%	0.841	59%	0.587	S	S	*	*			trans	-66.9	138.4	169.2	-62.7	-177.3	147.1	0	0	108.4	N175	N175-E177 PolarHBondContact O-N 2.85Å
178	A	57.4	Low	81.1	Confident	149 Å²	149	102.9 Å²	102.9	100%	1.231	61%	0.606	S	S	*	*			trans	-76	0	-172	0	0	0	0	0	110.6

Retrieved 178 of 178 residues in 45.4 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).