A0A077YVV0_TRITR Loading...

FYVE domain containing protein

AlphaFold DB , UniProt , Accession A0A077YVV0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 163 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	31	Very low	35.2	Very low	245 Å²	245	154.7 Å²	154.7	100%	1.207	83%	0.834	S	S	*	*				0	134.1	0	-72.8	-168.6	-77.3	0	0	107.9
2	I	48.4	Very low	34.7	Very low	129 Å²	129	151.5 Å²	151.5	66%	0.662	83%	0.832	S	S	*	*			trans	-47.9	158.6	-174.1	41.6	-169	0	0	0	118.6
3	Y	33.5	Very low	34.7	Very low	192 Å²	192	152.2 Å²	152.2	75%	0.753	83%	0.831	S	S	*	*			trans	82.8	128.2	163.9	-47.5	-67.7	0	0	0	117.2
4	S	33.9	Very low	35.2	Very low	115 Å²	115	157.5 Å²	157.5	80%	0.804	83%	0.833	S	S	*	*				-170	149	67.9	-50.2	0	0	0	0	110.9
5	W	34.6	Very low	35	Very low	256 Å²	256	152 Å²	152	97%	0.97	83%	0.829	S	S	*	*			trans	-72.8	132.4	177.4	-62.8	74.2	0	0	0	111.2
6	A	34.2	Very low	35.1	Very low	91 Å²	91	149.1 Å²	149.1	75%	0.752	82%	0.817	S	S	*	*			trans	-113.2	159.8	174.4	0	0	0	0	0	110.1
7	P	39.2	Very low	35.1	Very low	113 Å²	113	151.8 Å²	151.8	73%	0.734	82%	0.819	S	S	*	*			trans	-94	151.4	-134.5	34.6	-35	0	0	0	114.8	E9	P7-E9 PolarHBondContact O-N 3.43Å
8	C	35.9	Very low	35.1	Very low	130 Å²	130	151.9 Å²	151.9	88%	0.878	82%	0.818	S	S	*	*			trans	-73.5	102	163.8	-86.1	0	0	0	0	109.7	A10	C8-A10 PolarHBondContact O-N 3.05Å
9	E	33.1	Very low	35.2	Very low	170 Å²	170	149.1 Å²	149.1	79%	0.794	82%	0.818	S	S	*	*			trans	-57.3	86.3	148.2	-80.1	163	127.9	0	0	108.9	P7 M11	P7-E9 PolarHBondContact O-N 3.43Å; E9-M11 HydrophobicContact CB-CG 4.38Å; E9-M11 PolarHBondContact O-N 3.02Å
10	A	35.3	Very low	35.4	Very low	99 Å²	99	149.2 Å²	149.2	82%	0.818	82%	0.817	S	S	*	*			trans	-75	83	159.5	0	0	0	0	0	107.2	C8 S12	C8-A10 PolarHBondContact O-N 3.05Å; A10-S12 PolarHBondContact O-N 3.03Å
11	M	28.2	Very low	35.4	Very low	162 Å²	162	151.7 Å²	151.7	80%	0.798	82%	0.821	S	S	*	*			trans	-58.6	130.4	172	-68.3	173.9	66.8	0	0	110.1	E9 I13	E9-M11 HydrophobicContact CB-CG 4.38Å; E9-M11 PolarHBondContact O-N 3.02Å; M11-I13 PolarHBondContact O-N 3.11Å; M11-I13 VanDerWaalsContact O-N 3.11Å
12	S	28.9	Very low	35.3	Very low	116 Å²	116	145.1 Å²	145.1	81%	0.811	80%	0.799	S	S	*	*			trans	-23.7	103.4	155	155.2	0	0	0	0	114.5	A10	A10-S12 PolarHBondContact O-N 3.03Å
13	I	35.5	Very low	34.6	Very low	161 Å²	161	148.8 Å²	148.8	83%	0.826	81%	0.811	S	S	*	*			trans	-136.9	133.7	142.9	-54.8	-179.9	0	0	0	106.5	M11 G15	M11-I13 PolarHBondContact O-N 3.11Å; M11-I13 VanDerWaalsContact O-N 3.11Å; I13-G15 PolarHBondContact O-N 2.82Å
14	R	41	Very low	34.4	Very low	226 Å²	226	149.7 Å²	149.7	85%	0.853	81%	0.814	S	S	*	*			trans	-28.8	89.7	-174.9	-68	175.8	172.9	-171.2	-2.2	115.7	V16	R14-V16 VanDerWaalsContact C-N 3.26Å; R14-V16 PolarHBondContact O-N 3.14Å
15	G	32.2	Very low	34.4	Very low	75 Å²	75	148 Å²	148	77%	0.773	80%	0.802	S	S	*	*	S	Bend		63.5	-4.5	123.7	0	0	0	0	0	120.7	I13	I13-G15 PolarHBondContact O-N 2.82Å
16	V	37	Very low	34.4	Very low	105 Å²	105	139.9 Å²	139.9	64%	0.636	78%	0.784	S	S	*	*			trans	-102.8	93.5	173.8	-164.9	0	0	0	0	107.5	R14 L18	R14-V16 VanDerWaalsContact C-N 3.26Å; R14-V16 PolarHBondContact O-N 3.14Å; V16-L18 PolarHBondContact O-N 3.26Å
17	F	35.6	Very low	34.9	Very low	196 Å²	196	146.7 Å²	146.7	86%	0.86	79%	0.79	S	S	*	*			trans	-54.3	114.6	158.5	-82	-96	0	0	0	106.5	A19	F17-A19 PolarHBondContact O-N 3.03Å
18	L	33.7	Very low	34.9	Very low	153 Å²	153	143.7 Å²	143.7	80%	0.801	77%	0.771	S	S	*	*			trans	-59.9	93.9	163.1	-65.7	173.1	0	0	0	105.3	V16 D20	V16-L18 PolarHBondContact O-N 3.26Å; L18-D20 VanDerWaalsContact C-N 3.3Å; L18-D20 PolarHBondContact O-N 3.34Å
19	A	38.5	Very low	35.6	Very low	98 Å²	98	143.1 Å²	143.1	81%	0.81	77%	0.769	S	S	*	*			trans	-62.3	103.9	166.8	0	0	0	0	0	105.4	F17 F21	F17-A19 PolarHBondContact O-N 3.03Å; A19-F21 PolarHBondContact O-N 3.01Å; A19-F21 VanDerWaalsContact O-N 3.09Å
20	D	38.9	Very low	36.1	Very low	151 Å²	151	142.3 Å²	142.3	81%	0.807	76%	0.763	S	S	*	*			trans	-45.7	116	176.8	-80.1	-49.1	0	0	0	110.8	L18 S22	L18-D20 VanDerWaalsContact C-N 3.3Å; L18-D20 PolarHBondContact O-N 3.34Å; D20-S22 PolarHBondContact O-N 3.45Å; D20-S22 VanDerWaalsContact O-N 3.16Å
21	F	34.6	Very low	36.3	Very low	203 Å²	203	140.9 Å²	140.9	89%	0.89	74%	0.741	S	S	*	*			trans	18.6	85.3	133.4	-130.5	-102	0	0	0	116.2	A19	A19-F21 PolarHBondContact O-N 3.01Å; A19-F21 VanDerWaalsContact O-N 3.09Å
22	S	28.7	Very low	37	Very low	107 Å²	107	141.2 Å²	141.2	75%	0.748	74%	0.738	S	S	*	*			trans	-152.5	100.2	149.6	-88	0	0	0	0	111.2	D20 Y24	D20-S22 PolarHBondContact O-N 3.45Å; D20-S22 VanDerWaalsContact O-N 3.16Å; S22-Y24 PolarHBondContact O-N 2.93Å
23	F	33.8	Very low	37.4	Very low	206 Å²	206	138.2 Å²	138.2	90%	0.904	72%	0.717	S	S	*	*			trans	-71.7	104.1	169.4	-152.2	-95.8	0	0	0	108.8
24	Y	30.3	Very low	37.6	Very low	211 Å²	211	133.9 Å²	133.9	83%	0.827	70%	0.7	S	S	*	*			trans	-126.4	92.9	160	-88.9	-78.6	0	0	0	109.7	S22 C26	S22-Y24 PolarHBondContact O-N 2.93Å; Y24-C26 PolarHBondContact O-N 2.8Å
25	S	32.3	Very low	37.8	Very low	79 Å²	79	127.7 Å²	127.7	55%	0.552	70%	0.697	S	S	*	*			trans	26.9	66.2	145.7	176.1	0	0	0	0	116.1	R27	S25-R27 VanDerWaalsContact C-N 3.31Å; S25-R27 PolarHBondContact O-N 3.28Å
26	C	35.1	Very low	38.2	Very low	86 Å²	86	134 Å²	134	58%	0.581	70%	0.704	S	S	*	*			trans	-81.8	86.7	165	-154.4	0	0	0	0	108.2	Y24 S28 D31	Y24-C26 PolarHBondContact O-N 2.8Å; C26-S28 PolarHBondContact O-N 3.03Å; C26-D31 HydrophobicContact CB-CB 4.49Å; C26-D31 WeakPolarHBondContact SG-CB 3.46Å; C26-D31 PolarHBondContact SG-OD2 3.45Å
27	R	45.4	Very low	38.4	Very low	234 Å²	234	133.4 Å²	133.4	88%	0.883	69%	0.69	S	S	*	*			trans	-74.8	18.8	-170.1	-152.8	176.2	-89.4	-112.8	3.1	113.5	S25	S25-R27 VanDerWaalsContact C-N 3.31Å; S25-R27 PolarHBondContact O-N 3.28Å
28	S	38.9	Very low	39	Very low	49 Å²	49	131.8 Å²	131.8	34%	0.343	69%	0.69	S	S	.	*			trans	-122.6	118.3	-177.6	178.6	0	0	0	0	109.7	C26 K30 D31	C26-S28 PolarHBondContact O-N 3.03Å; S28-K30 PolarHBondContact O-N 3.19Å; S28-K30 WeakPolarHBondContact OG-CB 3.4Å; S28-K30 PolarHBondContact OG-N 3.39Å; S28-D31 WeakPolarHBondContact CB-OD2 3.42Å; S28-D31 PolarHBondContact O-N 3.21Å
29	S	50.9	Low	40	Very low	119 Å²	119	127.3 Å²	127.3	83%	0.832	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52	-9.7	170.6	175.6	0	0	0	0	113.7
30	K	43.7	Very low	40.8	Very low	153 Å²	153	124.5 Å²	124.5	67%	0.665	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-21.4	176.2	-62.4	-175.5	177.6	177.2	0	113.8	S28 C34	S28-K30 PolarHBondContact O-N 3.19Å; S28-K30 WeakPolarHBondContact OG-CB 3.4Å; S28-K30 PolarHBondContact OG-N 3.39Å; K30-C34 PolarHBondContact O-SG 3.43Å
31	D	39.5	Very low	42.5	Very low	68 Å²	68	121.3 Å²	121.3	36%	0.364	63%	0.627	S	S	.	*	H	α-helix	trans	-100.5	-28.2	-167.6	-60.8	-49.6	0	0	0	115.1	C26 S28 C33 C34	C26-D31 HydrophobicContact CB-CB 4.49Å; C26-D31 WeakPolarHBondContact SG-CB 3.46Å; C26-D31 PolarHBondContact SG-OD2 3.45Å; S28-D31 WeakPolarHBondContact CB-OD2 3.42Å; S28-D31 PolarHBondContact O-N 3.21Å; D31-C33 PolarHBondContact O-N 3.26Å; D31-C34 WeakPolarHBondContact O-CA 3.49Å; D31-C34 VanDerWaalsContact O-CB 3.24Å; D31-C34 WeakPolarHBondContact O-CB 3.47Å; D31-C34 PolarHBondContact O-N 2.84Å
32	F	42.3	Very low	44.9	Very low	169 Å²	169	112.4 Å²	112.4	74%	0.741	59%	0.588	S	S	*	*	H	α-helix	trans	-60.4	-32.8	173.5	-170.3	-103.3	0	0	0	111.3
33	C	38.3	Very low	47.7	Very low	53 Å²	53	107.4 Å²	107.4	36%	0.358	55%	0.554	S	S	.	*	H	α-helix	trans	-74.1	-31.2	175.2	-138.9	0	0	0	0	110.4	D31 A35 F36 R37	D31-C33 PolarHBondContact O-N 3.26Å; C33-A35 VanDerWaalsContact C-N 3.32Å; C33-A35 PolarHBondContact O-N 3.27Å; C33-A35 VanDerWaalsContact O-N 3.17Å; C33-F36 PolarHBondContact O-N 2.93Å; C33-R37 VanDerWaalsContact C-CD 3.42Å; C33-R37 VanDerWaalsContact C-CG 3.44Å; C33-R37 HydrophobicContact CB-CG 4.11Å; C33-R37 WeakPolarHBondContact O-CB 3.24Å; C33-R37 WeakPolarHBondContact O-CD 3.4Å; C33-R37 WeakPolarHBondContact O-CG 3.5Å; C33-R37 PolarHBondContact O-N 2.82Å; C33-R37 PolarHBondContact SG-NE 2.81Å; C33-R37 PolarHBondContact SG-NH2 3.4Å
34	C	38	Very low	50.3	Low	71 Å²	71	99.8 Å²	99.8	48%	0.48	53%	0.529	S	S	.	.	H	α-helix	trans	-52.7	-36.8	-178	-83.4	0	0	0	0	115.1	K30 D31 F36 R37	K30-C34 PolarHBondContact O-SG 3.43Å; D31-C34 WeakPolarHBondContact O-CA 3.49Å; D31-C34 VanDerWaalsContact O-CB 3.24Å; D31-C34 WeakPolarHBondContact O-CB 3.47Å; D31-C34 PolarHBondContact O-N 2.84Å; C34-F36 VanDerWaalsContact C-N 3.34Å; C34-F36 PolarHBondContact O-N 2.85Å; C34-R37 PolarHBondContact O-N 3.39Å; C34-R37 VanDerWaalsContact O-N 3.09Å
35	A	46.2	Very low	53.1	Low	95 Å²	95	92.7 Å²	92.7	79%	0.785	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-32.1	-176.4	0	0	0	0	0	114	C33	C33-A35 VanDerWaalsContact C-N 3.32Å; C33-A35 PolarHBondContact O-N 3.27Å; C33-A35 VanDerWaalsContact O-N 3.17Å
36	F	39.7	Very low	55.9	Low	207 Å²	207	91.9 Å²	91.9	91%	0.908	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	2.5	173.5	-104.2	-92.6	0	0	0	113.1	C33 C34	C33-F36 PolarHBondContact O-N 2.93Å; C34-F36 VanDerWaalsContact C-N 3.34Å; C34-F36 PolarHBondContact O-N 2.85Å
37	R	42.4	Very low	58.5	Low	93 Å²	93	89.1 Å²	89.1	35%	0.351	49%	0.489	S	S	.	.			trans	-100.6	28.5	-164.4	-96.4	-169.4	178.2	-173.3	18.2	115.6	C33 C34 N39 C40	C33-R37 VanDerWaalsContact C-CD 3.42Å; C33-R37 VanDerWaalsContact C-CG 3.44Å; C33-R37 HydrophobicContact CB-CG 4.11Å; C33-R37 WeakPolarHBondContact O-CB 3.24Å; C33-R37 WeakPolarHBondContact O-CD 3.4Å; C33-R37 WeakPolarHBondContact O-CG 3.5Å; C33-R37 PolarHBondContact O-N 2.82Å; C33-R37 PolarHBondContact SG-NE 2.81Å; C33-R37 PolarHBondContact SG-NH2 3.4Å; C34-R37 PolarHBondContact O-N 3.39Å; C34-R37 VanDerWaalsContact O-N 3.09Å; R37-N39 PolarHBondContact O-N 3.36Å; R37-C40 HydrophobicContact CB-CB 3.9Å; R37-C40 VanDerWaalsContact CD-SG 3.6Å; R37-C40 HydrophobicContact CG-CB 3.35Å; R37-C40 WeakPolarHBondContact CG-SG 3.11Å; R37-C40 PolarHBondContact NE-SG 3Å; R37-C40 PolarHBondContact O-N 2.79Å
38	L	47.4	Very low	60.4	Low	163 Å²	163	86.3 Å²	86.3	85%	0.853	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	-24.4	165.4	-69.7	175.1	0	0	0	111.7
39	N	55	Low	62.5	Low	58 Å²	58	89.7 Å²	89.7	31%	0.31	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-18.8	178	-68.3	7.5	0	0	0	116.8	R37 L42 I109	R37-N39 PolarHBondContact O-N 3.36Å; N39-L42 WeakPolarHBondContact O-CB 3.21Å; N39-L42 PolarHBondContact O-N 2.89Å; N39-I109 HydrophobicContact CB-CG2 4.3Å
40	C	55.2	Low	64	Low	39 Å²	39	85.6 Å²	85.6	26%	0.264	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-26.4	-169.6	-90.5	0	0	0	0	114.8	R37 K114	R37-C40 HydrophobicContact CB-CB 3.9Å; R37-C40 VanDerWaalsContact CD-SG 3.6Å; R37-C40 HydrophobicContact CG-CB 3.35Å; R37-C40 WeakPolarHBondContact CG-SG 3.11Å; R37-C40 PolarHBondContact NE-SG 3Å; R37-C40 PolarHBondContact O-N 2.79Å; C40-K114 WeakPolarHBondContact O-CD 3.17Å; C40-K114 WeakPolarHBondContact O-CE 3.47Å; C40-K114 PolarHBondContact O-NZ 3.47Å
41	T	75.2	Confident	65.9	Low	85 Å²	85	81.4 Å²	81.4	52%	0.521	45%	0.45	S	S	.	.	S	Bend	trans	-90.6	-4.7	173.4	55	0	0	0	0	112.3	G43 A44 S45	T41-G43 PolarHBondContact O-N 3.37Å; T41-G43 VanDerWaalsContact O-N 3.11Å; T41-A44 WeakPolarHBondContact O-CA 3.34Å; T41-A44 WeakPolarHBondContact O-CB 3.49Å; T41-A44 PolarHBondContact O-N 3.31Å; T41-S45 PolarHBondContact O-N 2.88Å
42	L	84.3	Confident	67.7	Low	16 Å²	16	82 Å²	82	8%	0.084	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	119.7	-177.7	-166.9	73.4	0	0	0	110.6	N39 A44 A76 C77 C106 I109 L110	N39-L42 WeakPolarHBondContact O-CB 3.21Å; N39-L42 PolarHBondContact O-N 2.89Å; L42-A44 PolarHBondContact O-N 3.06Å; L42-A76 HydrophobicContact CD1-CB 3.82Å; L42-A76 WeakPolarHBondContact CD1-O 3.41Å; L42-A76 HydrophobicContact CG-CB 4.1Å; L42-C77 HydrophobicContact CD1-CB 4.12Å; L42-C106 HydrophobicContact CD2-CB 4.21Å; L42-I109 HydrophobicContact CD2-CB 3.92Å; L42-I109 HydrophobicContact CD2-CD1 4.21Å; L42-I109 HydrophobicContact CD2-CG2 3.64Å; L42-L110 HydrophobicContact CD2-CD2 4.46Å; L42-L110 HydrophobicContact CD2-CG 4.2Å; L42-L110 HydrophobicContact CG-CD2 4.49Å
43	G	88.2	Confident	69.5	Low	2 Å²	2	80.8 Å²	80.8	2%	0.021	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	1.4	-175.4	0	0	0	0	0	115.8	T41 L92 T93 Y94	T41-G43 PolarHBondContact O-N 3.37Å; T41-G43 VanDerWaalsContact O-N 3.11Å; G43-L92 CarbonylContact O-C 3.59Å; G43-T93 PolarHBondContact O-N 2.93Å; G43-T93 PolarHBondContact O-OG1 3.34Å; G43-Y94 WeakPolarHBondContact O-CD1 3.17Å; G43-Y94 PolarHBondContact O-N 2.76Å
44	A	88.1	Confident	71.7	Confident	46 Å²	46	83.9 Å²	83.9	38%	0.38	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-22.4	175.1	0	0	0	0	0	114.2	T41 L42 T93 Y94	T41-A44 WeakPolarHBondContact O-CA 3.34Å; T41-A44 WeakPolarHBondContact O-CB 3.49Å; T41-A44 PolarHBondContact O-N 3.31Å; L42-A44 PolarHBondContact O-N 3.06Å; A44-T93 VanDerWaalsContact CA-OG1 3.22Å; A44-T93 WeakPolarHBondContact CA-OG1 3.44Å; A44-Y94 WeakPolarHBondContact O-CB 3.4Å
45	S	89.3	Confident	74	Confident	61 Å²	61	85.8 Å²	85.8	43%	0.427	46%	0.46	S	S	.	.	S	Bend	trans	-132.8	157.9	169.5	56.6	0	0	0	0	109.8	T41 Y94	T41-S45 PolarHBondContact O-N 2.88Å; S45-Y94 VanDerWaalsContact C-CD1 3.43Å; S45-Y94 VanDerWaalsContact O-CD1 3.25Å; S45-Y94 WeakPolarHBondContact O-CD1 3.14Å; S45-Y94 WeakPolarHBondContact O-CE1 3.12Å
46	A	91.1	Very high	76.1	Confident	63 Å²	63	90.5 Å²	90.5	52%	0.521	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-64.6	133.4	169.7	0	0	0	0	0	109	Y94	A46-Y94 HydrophobicContact CB-CD2 3.95Å; A46-Y94 HydrophobicContact CB-CE2 3.74Å
47	P	90.3	Very high	78.7	Confident	27 Å²	27	82.5 Å²	82.5	18%	0.175	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-72	165.4	172.4	31.9	-35.4	0	0	0	110.1	W49 R75	P47-W49 VanDerWaalsContact O-CD1 3.23Å; P47-R75 WeakPolarHBondContact CD-O 3.26Å; P47-R75 WeakPolarHBondContact CG-O 3.17Å
48	E	84.6	Confident	81.3	Confident	176 Å²	176	78.1 Å²	78.1	82%	0.822	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-71.4	132.7	164.4	-172.6	169.7	-170.3	0	0	109.5
49	W	82.1	Confident	83.4	Confident	120 Å²	120	72.7 Å²	72.7	46%	0.455	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-100.1	117.5	-178.2	-76.3	44.8	0	0	0	109.1	P47 P51 H73 R75	P47-W49 VanDerWaalsContact O-CD1 3.23Å; W49-P51 WeakPolarHBondContact O-CD 3.24Å; W49-H73 HydrophobicContact CD2-CB 4.38Å; W49-H73 HydrophobicContact CE3-CB 4.04Å; W49-H73 AromaticContact CE3-CD2 3.97Å; W49-H73 AromaticContact CE3-CG 3.77Å; W49-H73 HydrophobicContact CH2-CB 4.38Å; W49-H73 HydrophobicContact CZ3-CB 4.04Å; W49-R75 HydrophobicContact CH2-CG 4.44Å; W49-R75 HydrophobicContact CZ2-CG 4Å
50	V	82.6	Confident	85.2	Confident	32 Å²	32	73.6 Å²	73.6	19%	0.194	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-70.6	125.4	170.9	-179.7	0	0	0	0	108.5	E54 W55 M59 H73 V80	V50-E54 HydrophobicContact CG1-CB 3.78Å; V50-W55 HydrophobicContact CG1-CE3 3.75Å; V50-W55 HydrophobicContact CG1-CZ3 4.29Å; V50-M59 HydrophobicContact CG2-CE 4.29Å; V50-H73 PolarHBondContact O-NE2 3.43Å; V50-V80 HydrophobicContact CB-CG2 4.03Å; V50-V80 HydrophobicContact CG1-CG2 4.37Å
51	P	83.3	Confident	87.1	Confident	66 Å²	66	74 Å²	74	43%	0.429	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-53.1	145.6	174.3	-27.5	35.1	0	0	0	112.9	W49 D53 E54	W49-P51 WeakPolarHBondContact O-CD 3.24Å; P51-D53 PolarHBondContact O-N 3.14Å; P51-E54 HydrophobicContact CB-CG 4.2Å; P51-E54 WeakPolarHBondContact CD-OE1 3.39Å; P51-E54 HydrophobicContact CG-CG 4.41Å; P51-E54 WeakPolarHBondContact CG-OE1 3.23Å; P51-E54 PolarHBondContact O-N 3.06Å; P51-E54 VanDerWaalsContact O-N 3.14Å
52	D	78.9	Confident	88	Confident	81 Å²	81	77.3 Å²	77.3	43%	0.433	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-30.7	-175.9	-74.5	28.1	0	0	0	113.6	R71 H73	D52-R71 WeakPolarHBondContact O-CD 3.24Å; D52-R71 PolarHBondContact O-NE 3.3Å; D52-R71 PolarHBondContact O-NH1 3.28Å; D52-H73 IonicContact OD1-CE1 3.06Å; D52-H73 PolarHBondContact OD1-CE1 2.99Å; D52-H73 IonicContact OD1-NE2 3.51Å
53	D	80.2	Confident	88.6	Confident	142 Å²	142	80.6 Å²	80.6	76%	0.759	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-15.2	-174	-63.4	-42.2	0	0	0	113.8	P51	P51-D53 PolarHBondContact O-N 3.14Å
54	E	82.8	Confident	89	Confident	119 Å²	119	86.8 Å²	86.8	56%	0.556	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-30.1	-176	-69.2	-178.3	-165.8	0	0	112.7	V50 P51	V50-E54 HydrophobicContact CG1-CB 3.78Å; P51-E54 HydrophobicContact CB-CG 4.2Å; P51-E54 WeakPolarHBondContact CD-OE1 3.39Å; P51-E54 HydrophobicContact CG-CG 4.41Å; P51-E54 WeakPolarHBondContact CG-OE1 3.23Å; P51-E54 PolarHBondContact O-N 3.06Å; P51-E54 VanDerWaalsContact O-N 3.14Å
55	W	86.9	Confident	89.3	Confident	110 Å²	110	85.8 Å²	85.8	42%	0.417	43%	0.428	S	S	.	.			trans	-114.3	118.1	-177.2	-114.3	-102.9	0	0	0	113.5	V50 M59 R71 V80	V50-W55 HydrophobicContact CG1-CE3 3.75Å; V50-W55 HydrophobicContact CG1-CZ3 4.29Å; W55-M59 HydrophobicContact CB-CE 4.29Å; W55-M59 HydrophobicContact CD2-CE 3.35Å; W55-M59 HydrophobicContact CE3-CE 3.94Å; W55-M59 HydrophobicContact CG-CE 3.49Å; W55-M59 VanDerWaalsContact CG-CE 3.49Å; W55-M59 HydrophobicContact CG-CG 4.34Å; W55-M59 HydrophobicContact CH2-CE 4.45Å; W55-M59 HydrophobicContact CZ2-CE 3.96Å; W55-M59 HydrophobicContact CZ3-CE 4.44Å; W55-R71 PolarHBondContact O-NE 3.15Å; W55-R71 PolarHBondContact O-NH2 3.31Å; W55-V80 HydrophobicContact CB-CB 4.28Å; W55-V80 HydrophobicContact CB-CG2 4.37Å
56	R	91.6	Very high	89.6	Confident	194 Å²	194	86.8 Å²	86.8	73%	0.732	43%	0.431	S	S	*	.			trans	-90.3	-14	-177.9	-60.8	-174	-174	179.6	2.7	114.5	F65	R56-F65 WeakPolarHBondContact O-CD2 2.99Å; R56-F65 PolarHBondContact O-N 2.85Å
57	V	94.3	Very high	89.7	Confident	40 Å²	40	90.8 Å²	90.8	24%	0.242	44%	0.443	C	S	.	.	B	Isolated β-bridge	trans	-129.6	154	-176.2	-62.9	0	0	0	0	111.4	M59 E62 N63 F65	V57-M59 PolarHBondContact O-N 2.92Å; V57-E62 WeakPolarHBondContact CB-O 3.37Å; V57-E62 WeakPolarHBondContact CG1-O 3.43Å; V57-N63 WeakPolarHBondContact CA-O 3.48Å; V57-F65 WeakPolarHBondContact O-CE2 3.45Å
58	C	95	Very high	89.9	Confident	0 Å²	0	97.2 Å²	97.2	0%	0	47%	0.474	C	S	.	.			trans	-63.1	124.3	172.2	179.2	0	0	0	0	110.7	Q60 C61 E62 N63 F65 C82 C85	C58-Q60 PolarHBondContact O-N 3.32Å; C58-C61 VanDerWaalsContact CB-SG 3.54Å; C58-C61 PolarHBondContact SG-SG 2.98Å; C58-E62 VanDerWaalsContact O-CA 3.24Å; C58-E62 WeakPolarHBondContact O-CA 3.45Å; C58-E62 PolarHBondContact O-N 2.77Å; C58-N63 PolarHBondContact N-O 3Å; C58-F65 HydrophobicContact CB-CE1 4.47Å; C58-F65 HydrophobicContact CB-CZ 4.18Å; C58-C82 HydrophobicContact CB-CB 4.41Å; C58-C82 PolarHBondContact SG-N 3.16Å; C58-C82 VanDerWaalsContact SG-N 3.39Å; C58-C85 VanDerWaalsContact SG-SG 3.69Å
59	M	93	Very high	90.4	Very high	49 Å²	49	91.7 Å²	91.7	24%	0.241	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	13.8	177.8	-64.1	176.8	171.5	0	0	115	V50 W55 V57 R79 V80 L81	V50-M59 HydrophobicContact CG2-CE 4.29Å; W55-M59 HydrophobicContact CB-CE 4.29Å; W55-M59 HydrophobicContact CD2-CE 3.35Å; W55-M59 HydrophobicContact CE3-CE 3.94Å; W55-M59 HydrophobicContact CG-CE 3.49Å; W55-M59 VanDerWaalsContact CG-CE 3.49Å; W55-M59 HydrophobicContact CG-CG 4.34Å; W55-M59 HydrophobicContact CH2-CE 4.45Å; W55-M59 HydrophobicContact CZ2-CE 3.96Å; W55-M59 HydrophobicContact CZ3-CE 4.44Å; V57-M59 PolarHBondContact O-N 2.92Å; M59-R79 HydrophobicContact CB-CB 4.33Å; M59-R79 HydrophobicContact CB-CG 4.44Å; M59-R79 HydrophobicContact SD-CB 3.64Å; M59-R79 HydrophobicContact SD-CG 3.66Å; M59-V80 WeakPolarHBondContact CB-O 3.25Å; M59-V80 HydrophobicContact CE-CB 4.35Å; M59-V80 HydrophobicContact CE-CG2 4.19Å; M59-V80 WeakPolarHBondContact CG-O 3.43Å; M59-V80 PolarHBondContact N-O 3.22Å; M59-V80 HydrophobicContact SD-CB 4.4Å; M59-V80 PolarHBondContact SD-N 2.73Å; M59-L81 HydrophobicContact CB-CD2 4.07Å
60	Q	92	Very high	91	Very high	78 Å²	78	93.6 Å²	93.6	36%	0.364	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	-44.9	179.7	-178.5	72	11.7	0	0	112.4	C58 L81 C85 Q105	C58-Q60 PolarHBondContact O-N 3.32Å; Q60-L81 HydrophobicContact CB-CD2 3.46Å; Q60-L81 VanDerWaalsContact CB-CD2 3.46Å; Q60-C85 HydrophobicContact CB-CB 4.02Å; Q60-C85 HydrophobicContact CG-CB 4.17Å; Q60-Q105 VanDerWaalsContact NE2-NE2 3.13Å
61	C	95	Very high	91.6	Very high	48 Å²	48	95.7 Å²	95.7	32%	0.324	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	2.5	-178.8	68.6	0	0	0	0	113.5	C58 N63	C58-C61 VanDerWaalsContact CB-SG 3.54Å; C58-C61 PolarHBondContact SG-SG 2.98Å; C61-N63 PolarHBondContact O-N 2.91Å; C61-N63 PolarHBondContact SG-ND2 2.91Å
62	E	95.3	Very high	92.1	Very high	154 Å²	154	94.6 Å²	94.6	72%	0.72	45%	0.448	S	S	*	.			trans	59.5	1.7	175.3	-60	177.3	-169.9	0	0	115.7	V57 C58 H64	V57-E62 WeakPolarHBondContact CB-O 3.37Å; V57-E62 WeakPolarHBondContact CG1-O 3.43Å; C58-E62 VanDerWaalsContact O-CA 3.24Å; C58-E62 WeakPolarHBondContact O-CA 3.45Å; C58-E62 PolarHBondContact O-N 2.77Å; E62-H64 PolarHBondContact O-N 3.47Å
63	N	95.9	Very high	92.9	Very high	84 Å²	84	91.4 Å²	91.4	45%	0.449	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-62.7	135	173.9	-72.5	-51.2	0	0	0	111	V57 C58 C61 K69	V57-N63 WeakPolarHBondContact CA-O 3.48Å; C58-N63 PolarHBondContact N-O 3Å; C61-N63 PolarHBondContact O-N 2.91Å; C61-N63 PolarHBondContact SG-ND2 2.91Å; N63-K69 HydrophobicContact CB-CD 4.36Å
64	H	96.5	Very high	93.7	Very high	132 Å²	132	84.6 Å²	84.6	61%	0.611	39%	0.394	S	S	*	.	B	Isolated β-bridge	trans	-63.1	139.2	175.3	-72.9	-92.5	0	0	0	111.9	E62	E62-H64 PolarHBondContact O-N 3.47Å
65	F	95.5	Very high	94.3	Very high	26 Å²	26	82.1 Å²	82.1	11%	0.114	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-72.1	141.1	168.4	-63.8	-63.8	0	0	0	110.2	R56 V57 C58 K69 R71 V80 C82	R56-F65 WeakPolarHBondContact O-CD2 2.99Å; R56-F65 PolarHBondContact O-N 2.85Å; V57-F65 WeakPolarHBondContact O-CE2 3.45Å; C58-F65 HydrophobicContact CB-CE1 4.47Å; C58-F65 HydrophobicContact CB-CZ 4.18Å; F65-K69 WeakPolarHBondContact CA-O 3.33Å; F65-K69 HydrophobicContact CD1-CG 4.45Å; F65-K69 WeakPolarHBondContact CD1-O 3.37Å; F65-R71 HydrophobicContact CB-CG 4.2Å; F65-R71 HydrophobicContact CD1-CG 3.74Å; F65-R71 HydrophobicContact CD2-CG 3.51Å; F65-R71 HydrophobicContact CE1-CB 4.39Å; F65-R71 HydrophobicContact CE1-CG 3.91Å; F65-R71 HydrophobicContact CE2-CG 3.68Å; F65-R71 HydrophobicContact CG-CG 3.54Å; F65-R71 HydrophobicContact CZ-CB 4.45Å; F65-R71 HydrophobicContact CZ-CG 3.89Å; F65-V80 HydrophobicContact CE2-CG1 3.79Å; F65-V80 HydrophobicContact CZ-CG1 3.83Å; F65-C82 HydrophobicContact CE1-CB 4.15Å
66	T	94.1	Very high	94.6	Very high	81 Å²	81	77.1 Å²	77.1	50%	0.497	36%	0.362	S	S	.	.			trans	-133.1	174.9	179.7	68.4	0	0	0	0	109.6	I68 K69	T66-I68 PolarHBondContact O-N 3.22Å; T66-I68 PolarHBondContact OG1-N 3.44Å; T66-K69 PolarHBondContact N-O 3.42Å; T66-K69 CarbonylContact O-C 3.56Å; T66-K69 PolarHBondContact O-N 3.45Å; T66-K69 PolarHBondContact OG1-N 3.45Å
67	L	93.2	Very high	94.6	Very high	148 Å²	148	70 Å²	70	78%	0.775	34%	0.341	S	S	*	.	S	Bend	trans	-56.6	-24.2	175.6	-64.8	178.7	0	0	0	113.1	R70	L67-R70 VanDerWaalsContact O-CZ 3.3Å; L67-R70 PolarHBondContact O-NE 3.02Å; L67-R70 PolarHBondContact O-NH2 2.92Å; L67-R70 VanDerWaalsContact O-NH2 3.11Å
68	I	95.1	Very high	94.5	Very high	161 Å²	161	68.2 Å²	68.2	83%	0.826	33%	0.331	S	S	*	.	S	Bend	trans	-96.4	-45.2	177	-56.8	172.5	0	0	0	110.6	T66 R70	T66-I68 PolarHBondContact O-N 3.22Å; T66-I68 PolarHBondContact OG1-N 3.44Å; I68-R70 PolarHBondContact O-N 2.96Å; I68-R70 VanDerWaalsContact O-N 3.14Å
69	K	94.7	Very high	94.3	Very high	61 Å²	61	70.9 Å²	70.9	27%	0.265	34%	0.342	S	S	.	.	S	Bend	trans	-85.4	87.2	177.4	-169.7	176.4	-72.6	-98.6	0	109.9	N63 F65 T66 C82 D84	N63-K69 HydrophobicContact CB-CD 4.36Å; F65-K69 WeakPolarHBondContact CA-O 3.33Å; F65-K69 HydrophobicContact CD1-CG 4.45Å; F65-K69 WeakPolarHBondContact CD1-O 3.37Å; T66-K69 PolarHBondContact N-O 3.42Å; T66-K69 CarbonylContact O-C 3.56Å; T66-K69 PolarHBondContact O-N 3.45Å; T66-K69 PolarHBondContact OG1-N 3.45Å; K69-C82 HydrophobicContact CD-CB 3.89Å; K69-C82 HydrophobicContact CG-CB 3.87Å; K69-D84 IonicContact NZ-OD2 3.03Å; K69-D84 PolarHBondContact NZ-OD2 2.9Å
70	R	94.9	Very high	94.4	Very high	159 Å²	159	68.6 Å²	68.6	60%	0.6	33%	0.33	S	S	*	.			trans	-75.7	159.5	-179	-61	-68.6	177.7	151	-0.7	112.8	L67 I68	L67-R70 VanDerWaalsContact O-CZ 3.3Å; L67-R70 PolarHBondContact O-NE 3.02Å; L67-R70 PolarHBondContact O-NH2 2.92Å; L67-R70 VanDerWaalsContact O-NH2 3.11Å; I68-R70 PolarHBondContact O-N 2.96Å; I68-R70 VanDerWaalsContact O-N 3.14Å
71	R	94.5	Very high	94.6	Very high	77 Å²	77	64.9 Å²	64.9	29%	0.291	31%	0.313	S	S	.	.			trans	-81.2	142.7	177.8	-65.3	-176.7	-176.8	101	-8.7	111.5	D52 W55 F65 V80	D52-R71 WeakPolarHBondContact O-CD 3.24Å; D52-R71 PolarHBondContact O-NE 3.3Å; D52-R71 PolarHBondContact O-NH1 3.28Å; W55-R71 PolarHBondContact O-NE 3.15Å; W55-R71 PolarHBondContact O-NH2 3.31Å; F65-R71 HydrophobicContact CB-CG 4.2Å; F65-R71 HydrophobicContact CD1-CG 3.74Å; F65-R71 HydrophobicContact CD2-CG 3.51Å; F65-R71 HydrophobicContact CE1-CB 4.39Å; F65-R71 HydrophobicContact CE1-CG 3.91Å; F65-R71 HydrophobicContact CE2-CG 3.68Å; F65-R71 HydrophobicContact CG-CG 3.54Å; F65-R71 HydrophobicContact CZ-CB 4.45Å; F65-R71 HydrophobicContact CZ-CG 3.89Å; R71-V80 HydrophobicContact CB-CG1 3.91Å; R71-V80 HydrophobicContact CG-CG1 3.99Å
72	H	95.5	Very high	94.7	Very high	43 Å²	43	62.6 Å²	62.6	20%	0.199	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	133.6	174.6	-55.9	-65	0	0	0	111.5	L81 S83 C86	H72-L81 WeakPolarHBondContact CB-O 3.22Å; H72-L81 PolarHBondContact N-O 3.41Å; H72-L81 PolarHBondContact O-N 2.83Å; H72-S83 PolarHBondContact CD2-N 3.46Å; H72-S83 VanDerWaalsContact CD2-N 3.34Å; H72-C86 HydrophobicContact CB-CB 4.39Å
73	H	95.5	Very high	94.8	Very high	13 Å²	13	58 Å²	58	6%	0.06	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	137.2	175.8	-55.2	69.9	0	0	0	111.9	W49 V50 D52 R75 R79	W49-H73 HydrophobicContact CD2-CB 4.38Å; W49-H73 HydrophobicContact CE3-CB 4.04Å; W49-H73 AromaticContact CE3-CD2 3.97Å; W49-H73 AromaticContact CE3-CG 3.77Å; W49-H73 HydrophobicContact CH2-CB 4.38Å; W49-H73 HydrophobicContact CZ3-CB 4.04Å; V50-H73 PolarHBondContact O-NE2 3.43Å; D52-H73 IonicContact OD1-CE1 3.06Å; D52-H73 PolarHBondContact OD1-CE1 2.99Å; D52-H73 IonicContact OD1-NE2 3.51Å; H73-R75 PolarHBondContact O-N 3.12Å; H73-R75 PolarHBondContact O-NH1 3.48Å; H73-R79 WeakPolarHBondContact CA-O 3.34Å
74	C	95.7	Very high	94.8	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.284	C	S	.	.			trans	-73.6	119.2	162.8	-179.2	0	0	0	0	109.3	A76 C77 G78 R79 L81 V102 C103 C106	C74-A76 PolarHBondContact O-N 3.14Å; C74-A76 PolarHBondContact SG-N 3.45Å; C74-A76 VanDerWaalsContact SG-N 3.45Å; C74-C77 VanDerWaalsContact CB-SG 3.53Å; C74-C77 PolarHBondContact SG-SG 2.91Å; C74-G78 VanDerWaalsContact O-CA 3.32Å; C74-G78 WeakPolarHBondContact O-CA 3.43Å; C74-G78 PolarHBondContact O-N 3.29Å; C74-R79 PolarHBondContact N-O 3Å; C74-L81 HydrophobicContact CB-CD1 4.36Å; C74-V102 VanDerWaalsContact SG-CA 3.59Å; C74-C103 HydrophobicContact CB-CB 4.2Å; C74-C103 PolarHBondContact SG-N 2.85Å; C74-C106 VanDerWaalsContact SG-SG 3.67Å
75	R	95.9	Very high	94.8	Very high	66 Å²	66	52.7 Å²	52.7	25%	0.249	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.1	178	-74	82.5	169.6	150.3	-4.8	112.8	P47 W49 H73 L92 Y94 M95 A100 R101	P47-R75 WeakPolarHBondContact CD-O 3.26Å; P47-R75 WeakPolarHBondContact CG-O 3.17Å; W49-R75 HydrophobicContact CH2-CG 4.44Å; W49-R75 HydrophobicContact CZ2-CG 4Å; H73-R75 PolarHBondContact O-N 3.12Å; H73-R75 PolarHBondContact O-NH1 3.48Å; R75-L92 HydrophobicContact CB-CD1 3.5Å; R75-Y94 PolarHBondContact O-OH 3.5Å; R75-M95 HydrophobicContact CB-CE 4.24Å; R75-M95 HydrophobicContact CG-CE 3.96Å; R75-A100 HydrophobicContact CB-CB 3.91Å; R75-A100 HydrophobicContact CG-CB 4.01Å; R75-R101 WeakPolarHBondContact CB-O 3.29Å; R75-R101 WeakPolarHBondContact CD-O 3.13Å; R75-R101 PolarHBondContact N-O 3.32Å; R75-R101 VanDerWaalsContact NH1-CD 3.29Å
76	A	92.6	Very high	94.9	Very high	6 Å²	6	51.5 Å²	51.5	5%	0.05	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-41.3	177.8	0	0	0	0	0	113.4	L42 C74 L92 V102 C106 L110	L42-A76 HydrophobicContact CD1-CB 3.82Å; L42-A76 WeakPolarHBondContact CD1-O 3.41Å; L42-A76 HydrophobicContact CG-CB 4.1Å; C74-A76 PolarHBondContact O-N 3.14Å; C74-A76 PolarHBondContact SG-N 3.45Å; C74-A76 VanDerWaalsContact SG-N 3.45Å; A76-L92 HydrophobicContact CB-CD2 4.05Å; A76-V102 HydrophobicContact CB-CG1 3.78Å; A76-C106 HydrophobicContact CB-CB 3.79Å; A76-L110 HydrophobicContact CB-CD1 4.16Å
77	C	92	Very high	95	Very high	43 Å²	43	52 Å²	52	29%	0.291	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-1.8	-174.5	66.7	0	0	0	0	115.3	L42 C74 R79 C106	L42-C77 HydrophobicContact CD1-CB 4.12Å; C74-C77 VanDerWaalsContact CB-SG 3.53Å; C74-C77 PolarHBondContact SG-SG 2.91Å; C77-R79 PolarHBondContact O-N 3.15Å; C77-R79 VanDerWaalsContact O-N 3.16Å; C77-R79 PolarHBondContact SG-NE 3.48Å; C77-R79 VanDerWaalsContact SG-NE 3.42Å; C77-C106 PolarHBondContact SG-SG 3.02Å
78	G	92.3	Very high	95.2	Very high	3 Å²	3	47.3 Å²	47.3	3%	0.031	23%	0.229	C	C	.	.			trans	80.7	-15.6	176.3	0	0	0	0	0	115.7	C74	C74-G78 VanDerWaalsContact O-CA 3.32Å; C74-G78 WeakPolarHBondContact O-CA 3.43Å; C74-G78 PolarHBondContact O-N 3.29Å
79	R	92.2	Very high	95.3	Very high	57 Å²	57	46.7 Å²	46.7	22%	0.215	22%	0.216	C	C	.	.			trans	-56.8	143.6	-177.1	-72.6	-170.8	-72.3	165.6	-6.8	114.1	M59 H73 C74 C77 L81 C103 Q105	M59-R79 HydrophobicContact CB-CB 4.33Å; M59-R79 HydrophobicContact CB-CG 4.44Å; M59-R79 HydrophobicContact SD-CB 3.64Å; M59-R79 HydrophobicContact SD-CG 3.66Å; H73-R79 WeakPolarHBondContact CA-O 3.34Å; C74-R79 PolarHBondContact N-O 3Å; C77-R79 PolarHBondContact O-N 3.15Å; C77-R79 VanDerWaalsContact O-N 3.16Å; C77-R79 PolarHBondContact SG-NE 3.48Å; C77-R79 VanDerWaalsContact SG-NE 3.42Å; R79-L81 HydrophobicContact CB-CD1 4.33Å; R79-L81 HydrophobicContact CB-CD2 4.49Å; R79-L81 HydrophobicContact CB-CG 4.2Å; R79-C103 PolarHBondContact NH2-SG 2.9Å; R79-Q105 VanDerWaalsContact CZ-OE1 3.29Å
80	V	94.3	Very high	95.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119.7	175.5	-170.8	0	0	0	0	110.2	V50 W55 M59 F65 R71	V50-V80 HydrophobicContact CB-CG2 4.03Å; V50-V80 HydrophobicContact CG1-CG2 4.37Å; W55-V80 HydrophobicContact CB-CB 4.28Å; W55-V80 HydrophobicContact CB-CG2 4.37Å; M59-V80 WeakPolarHBondContact CB-O 3.25Å; M59-V80 HydrophobicContact CE-CB 4.35Å; M59-V80 HydrophobicContact CE-CG2 4.19Å; M59-V80 WeakPolarHBondContact CG-O 3.43Å; M59-V80 PolarHBondContact N-O 3.22Å; M59-V80 HydrophobicContact SD-CB 4.4Å; M59-V80 PolarHBondContact SD-N 2.73Å; F65-V80 HydrophobicContact CE2-CG1 3.79Å; F65-V80 HydrophobicContact CZ-CG1 3.83Å; R71-V80 HydrophobicContact CB-CG1 3.91Å; R71-V80 HydrophobicContact CG-CG1 3.99Å
81	L	96	Very high	95.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	158.3	-167.1	-62.8	171.4	0	0	0	111.6	M59 Q60 H72 C74 R79 C85 C86 C103	M59-L81 HydrophobicContact CB-CD2 4.07Å; Q60-L81 HydrophobicContact CB-CD2 3.46Å; Q60-L81 VanDerWaalsContact CB-CD2 3.46Å; H72-L81 WeakPolarHBondContact CB-O 3.22Å; H72-L81 PolarHBondContact N-O 3.41Å; H72-L81 PolarHBondContact O-N 2.83Å; C74-L81 HydrophobicContact CB-CD1 4.36Å; R79-L81 HydrophobicContact CB-CD1 4.33Å; R79-L81 HydrophobicContact CB-CD2 4.49Å; R79-L81 HydrophobicContact CB-CG 4.2Å; L81-C85 HydrophobicContact CB-CB 4.18Å; L81-C85 HydrophobicContact CD2-CB 4.26Å; L81-C86 HydrophobicContact CB-CB 3.67Å; L81-C86 HydrophobicContact CD1-CB 3.88Å; L81-C86 HydrophobicContact CG-CB 4.45Å; L81-C103 HydrophobicContact CD1-CB 3.22Å
82	C	96.8	Very high	95.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.199	C	C	.	.			trans	-77.3	168.7	169.6	72.1	0	0	0	0	111.5	C58 F65 K69 D84 C85 C86	C58-C82 HydrophobicContact CB-CB 4.41Å; C58-C82 PolarHBondContact SG-N 3.16Å; C58-C82 VanDerWaalsContact SG-N 3.39Å; F65-C82 HydrophobicContact CE1-CB 4.15Å; K69-C82 HydrophobicContact CD-CB 3.89Å; K69-C82 HydrophobicContact CG-CB 3.87Å; C82-D84 PolarHBondContact O-N 3.34Å; C82-C85 PolarHBondContact O-N 3.11Å; C82-C85 VanDerWaalsContact SG-SG 3.63Å; C82-C86 PolarHBondContact O-N 2.97Å
83	S	96.8	Very high	94.9	Very high	57 Å²	57	43.3 Å²	43.3	40%	0.399	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-41	-179.5	-173	0	0	0	0	111.2	H72 C85 C86 N87	H72-S83 PolarHBondContact CD2-N 3.46Å; H72-S83 VanDerWaalsContact CD2-N 3.34Å; S83-C85 PolarHBondContact O-N 3.11Å; S83-C86 CarbonylContact O-C 3.32Å; S83-C86 VanDerWaalsContact O-C 3.23Å; S83-C86 PolarHBondContact O-N 3.27Å; S83-N87 WeakPolarHBondContact O-CA 3.21Å; S83-N87 VanDerWaalsContact O-CB 3.24Å; S83-N87 WeakPolarHBondContact O-CB 3.33Å; S83-N87 PolarHBondContact O-N 3.44Å
84	D	97	Very high	94.8	Very high	92 Å²	92	45.5 Å²	45.5	49%	0.492	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-42	-179.2	-43.7	-50.1	0	0	0	112.2	K69 C82 N87 Q104	K69-D84 IonicContact NZ-OD2 3.03Å; K69-D84 PolarHBondContact NZ-OD2 2.9Å; C82-D84 PolarHBondContact O-N 3.34Å; D84-N87 PolarHBondContact O-ND2 3.25Å; D84-Q104 PolarHBondContact O-NE2 3.27Å
85	C	97	Very high	94.7	Very high	14 Å²	14	48.1 Å²	48.1	10%	0.095	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-17.3	179.6	-63.1	0	0	0	0	113.4	C58 Q60 L81 C82 S83 C103 Q104	C58-C85 VanDerWaalsContact SG-SG 3.69Å; Q60-C85 HydrophobicContact CB-CB 4.02Å; Q60-C85 HydrophobicContact CG-CB 4.17Å; L81-C85 HydrophobicContact CB-CB 4.18Å; L81-C85 HydrophobicContact CD2-CB 4.26Å; C82-C85 PolarHBondContact O-N 3.11Å; C82-C85 VanDerWaalsContact SG-SG 3.63Å; S83-C85 PolarHBondContact O-N 3.11Å; C85-C103 WeakPolarHBondContact O-CA 3.49Å; C85-Q104 PolarHBondContact O-N 2.98Å
86	C	96.3	Very high	94.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.8	51.8	-174.8	-160.6	0	0	0	0	112.3	H72 L81 C82 S83 R101 V102	H72-C86 HydrophobicContact CB-CB 4.39Å; L81-C86 HydrophobicContact CB-CB 3.67Å; L81-C86 HydrophobicContact CD1-CB 3.88Å; L81-C86 HydrophobicContact CG-CB 4.45Å; C82-C86 PolarHBondContact O-N 2.97Å; S83-C86 CarbonylContact O-C 3.32Å; S83-C86 VanDerWaalsContact O-C 3.23Å; S83-C86 PolarHBondContact O-N 3.27Å; C86-R101 VanDerWaalsContact O-CD 3.23Å; C86-R101 WeakPolarHBondContact O-CD 3.44Å; C86-R101 WeakPolarHBondContact O-CG 3.28Å; C86-R101 PolarHBondContact O-NH1 3.15Å; C86-V102 VanDerWaalsContact SG-C 3.56Å
87	N	96.5	Very high	94.4	Very high	91 Å²	91	52.3 Å²	52.3	49%	0.487	27%	0.273	S	S	.	.			trans	-98.9	-5.4	177.8	54.8	8.5	0	0	0	113.6	S83 D84	S83-N87 WeakPolarHBondContact O-CA 3.21Å; S83-N87 VanDerWaalsContact O-CB 3.24Å; S83-N87 WeakPolarHBondContact O-CB 3.33Å; S83-N87 PolarHBondContact O-N 3.44Å; D84-N87 PolarHBondContact O-ND2 3.25Å
88	M	97.2	Very high	94.5	Very high	51 Å²	51	56.4 Å²	56.4	25%	0.251	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	162.9	-175.2	-70.6	-160.2	64.6	0	0	112.7	R101 V102 Q104 A107	M88-R101 CarbonylContact O-C 3.57Å; M88-R101 WeakPolarHBondContact O-CA 3.43Å; M88-V102 HydrophobicContact CB-CG2 4.11Å; M88-V102 PolarHBondContact N-O 3.02Å; M88-V102 PolarHBondContact O-N 2.93Å; M88-Q104 HydrophobicContact CG-CG 4.33Å; M88-Q104 HydrophobicContact SD-CB 4.33Å; M88-Q104 HydrophobicContact SD-CG 4.27Å; M88-A107 HydrophobicContact CB-CB 3.77Å; M88-A107 HydrophobicContact CE-CB 3.26Å; M88-A107 HydrophobicContact CG-CB 4.23Å; M88-A107 HydrophobicContact SD-CB 3.45Å; M88-A107 WeakPolarHBondContact SD-CB 3.45Å
89	R	96.9	Very high	94.7	Very high	147 Å²	147	59.8 Å²	59.8	56%	0.555	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.9	140.7	174.5	-59.3	-179.3	67.8	85.2	1.7	110.3	T99 A100	R89-T99 PolarHBondContact NH2-O 3.46Å; R89-T99 PolarHBondContact NH2-OG1 3.5Å; R89-A100 VanDerWaalsContact CA-O 3.24Å; R89-A100 WeakPolarHBondContact CA-O 3.45Å
90	A	95	Very high	94.9	Very high	16 Å²	16	57.5 Å²	57.5	13%	0.132	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	154.5	175.1	0	0	0	0	0	110.3	T99 A100 V102 L110	A90-T99 WeakPolarHBondContact O-CA 3.01Å; A90-A100 PolarHBondContact N-O 3.02Å; A90-A100 PolarHBondContact O-N 2.85Å; A90-V102 HydrophobicContact CB-CG1 4.15Å; A90-V102 HydrophobicContact CB-CG2 3.68Å; A90-L110 HydrophobicContact CB-CB 4.25Å; A90-L110 HydrophobicContact CB-CD1 3.62Å
91	K	93.3	Very high	95	Very high	156 Å²	156	60.8 Å²	60.8	68%	0.678	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	130.3	171.8	-66.9	-173.4	177.8	-178.3	0	109	G97 K98 T99	K91-G97 WeakPolarHBondContact CB-O 3.32Å; K91-G97 WeakPolarHBondContact CD-O 3.5Å; K91-G97 VanDerWaalsContact CG-O 3.3Å; K91-G97 WeakPolarHBondContact CG-O 3.43Å; K91-K98 WeakPolarHBondContact CA-O 3.48Å; K91-T99 HydrophobicContact CG-CG2 3.97Å
92	L	93.3	Very high	95.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.312	C	S	.	.			trans	-114.6	127.6	177.5	-54.6	179.3	0	0	0	109.2	G43 R75 A76 Y94 M95 G97 K98 A100 V102 L110	G43-L92 CarbonylContact O-C 3.59Å; R75-L92 HydrophobicContact CB-CD1 3.5Å; A76-L92 HydrophobicContact CB-CD2 4.05Å; L92-Y94 HydrophobicContact CB-CD1 4Å; L92-Y94 HydrophobicContact CB-CE1 3.83Å; L92-Y94 HydrophobicContact CD1-CE1 3.62Å; L92-Y94 HydrophobicContact CG-CE1 4.25Å; L92-Y94 PolarHBondContact O-N 3.09Å; L92-M95 HydrophobicContact CB-CB 4.24Å; L92-M95 HydrophobicContact CB-CG 4.21Å; L92-M95 HydrophobicContact CD1-SD 4.1Å; L92-M95 CarbonylContact O-C 3.53Å; L92-M95 PolarHBondContact O-N 3.05Å; L92-M95 VanDerWaalsContact O-N 3.08Å; L92-G97 WeakPolarHBondContact O-CA 3.36Å; L92-G97 PolarHBondContact O-N 3.24Å; L92-K98 PolarHBondContact N-O 3.48Å; L92-K98 VanDerWaalsContact N-O 3.11Å; L92-A100 HydrophobicContact CD1-CB 3.65Å; L92-A100 HydrophobicContact CG-CB 4.24Å; L92-V102 HydrophobicContact CD2-CG1 4.17Å; L92-L110 HydrophobicContact CD2-CD1 3.66Å
93	T	91.2	Very high	95	Very high	98 Å²	98	60.9 Å²	60.9	60%	0.601	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-65.8	-34.6	-177.7	45	0	0	0	0	113.1	G43 A44 M95 D96	G43-T93 PolarHBondContact O-N 2.93Å; G43-T93 PolarHBondContact O-OG1 3.34Å; A44-T93 VanDerWaalsContact CA-OG1 3.22Å; A44-T93 WeakPolarHBondContact CA-OG1 3.44Å; T93-M95 PolarHBondContact O-N 2.92Å; T93-D96 PolarHBondContact O-N 3.3Å
94	Y	93.3	Very high	94.8	Very high	59 Å²	59	62.8 Å²	62.8	23%	0.231	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-70.3	-10.7	174.2	80.6	-94	0	0	0	113.6	G43 A44 S45 A46 R75 L92	G43-Y94 WeakPolarHBondContact O-CD1 3.17Å; G43-Y94 PolarHBondContact O-N 2.76Å; A44-Y94 WeakPolarHBondContact O-CB 3.4Å; S45-Y94 VanDerWaalsContact C-CD1 3.43Å; S45-Y94 VanDerWaalsContact O-CD1 3.25Å; S45-Y94 WeakPolarHBondContact O-CD1 3.14Å; S45-Y94 WeakPolarHBondContact O-CE1 3.12Å; A46-Y94 HydrophobicContact CB-CD2 3.95Å; A46-Y94 HydrophobicContact CB-CE2 3.74Å; R75-Y94 PolarHBondContact O-OH 3.5Å; L92-Y94 HydrophobicContact CB-CD1 4Å; L92-Y94 HydrophobicContact CB-CE1 3.83Å; L92-Y94 HydrophobicContact CD1-CE1 3.62Å; L92-Y94 HydrophobicContact CG-CE1 4.25Å; L92-Y94 PolarHBondContact O-N 3.09Å
95	M	92.1	Very high	94.5	Very high	54 Å²	54	62.4 Å²	62.4	27%	0.266	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-106.9	34.3	174.4	-62.9	-166.5	159.9	0	0	111.4	R75 L92 T93 G97 K98 A100	R75-M95 HydrophobicContact CB-CE 4.24Å; R75-M95 HydrophobicContact CG-CE 3.96Å; L92-M95 HydrophobicContact CB-CB 4.24Å; L92-M95 HydrophobicContact CB-CG 4.21Å; L92-M95 HydrophobicContact CD1-SD 4.1Å; L92-M95 CarbonylContact O-C 3.53Å; L92-M95 PolarHBondContact O-N 3.05Å; L92-M95 VanDerWaalsContact O-N 3.08Å; T93-M95 PolarHBondContact O-N 2.92Å; M95-G97 PolarHBondContact O-N 3.46Å; M95-G97 VanDerWaalsContact O-N 3.14Å; M95-K98 HydrophobicContact CB-CB 4.33Å; M95-K98 WeakPolarHBondContact O-CB 3.3Å; M95-K98 WeakPolarHBondContact O-CD 3.44Å; M95-K98 WeakPolarHBondContact O-CG 3.39Å; M95-K98 PolarHBondContact O-N 3.2Å; M95-A100 HydrophobicContact CE-CB 4.4Å; M95-A100 HydrophobicContact SD-CB 3.54Å; M95-A100 VanDerWaalsContact SD-CB 3.54Å
96	D	92.8	Very high	94.2	Very high	131 Å²	131	61.9 Å²	61.9	70%	0.701	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	28.8	-178.6	-41.3	-50.6	0	0	0	113.7	T93 K98	T93-D96 PolarHBondContact O-N 3.3Å; D96-K98 PolarHBondContact O-N 3.15Å; D96-K98 IonicContact OD2-NZ 3.62Å; D96-K98 PolarHBondContact OD2-NZ 2.8Å
97	G	90.3	Very high	94	Very high	30 Å²	30	62 Å²	62	31%	0.309	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	9.4	-174.9	0	0	0	0	0	114.5	K91 L92 M95	K91-G97 WeakPolarHBondContact CB-O 3.32Å; K91-G97 WeakPolarHBondContact CD-O 3.5Å; K91-G97 VanDerWaalsContact CG-O 3.3Å; K91-G97 WeakPolarHBondContact CG-O 3.43Å; L92-G97 WeakPolarHBondContact O-CA 3.36Å; L92-G97 PolarHBondContact O-N 3.24Å; M95-G97 PolarHBondContact O-N 3.46Å; M95-G97 VanDerWaalsContact O-N 3.14Å
98	K	94.5	Very high	93.6	Very high	129 Å²	129	60.2 Å²	60.2	56%	0.561	30%	0.302	S	S	*	.			trans	-65	150.1	173.2	-65.3	166.4	-174.6	150.2	0	110.4	K91 L92 M95 D96	K91-K98 WeakPolarHBondContact CA-O 3.48Å; L92-K98 PolarHBondContact N-O 3.48Å; L92-K98 VanDerWaalsContact N-O 3.11Å; M95-K98 HydrophobicContact CB-CB 4.33Å; M95-K98 WeakPolarHBondContact O-CB 3.3Å; M95-K98 WeakPolarHBondContact O-CD 3.44Å; M95-K98 WeakPolarHBondContact O-CG 3.39Å; M95-K98 PolarHBondContact O-N 3.2Å; D96-K98 PolarHBondContact O-N 3.15Å; D96-K98 IonicContact OD2-NZ 3.62Å; D96-K98 PolarHBondContact OD2-NZ 2.8Å
99	T	95.5	Very high	92.9	Very high	74 Å²	74	60 Å²	60	45%	0.454	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	132.5	175.5	65.4	0	0	0	0	110.4	R89 A90 K91	R89-T99 PolarHBondContact NH2-O 3.46Å; R89-T99 PolarHBondContact NH2-OG1 3.5Å; A90-T99 WeakPolarHBondContact O-CA 3.01Å; K91-T99 HydrophobicContact CG-CG2 3.97Å
100	A	96.6	Very high	92.4	Very high	8 Å²	8	55.3 Å²	55.3	7%	0.066	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	159.2	176.8	0	0	0	0	0	111.1	R75 R89 A90 L92 M95 V102	R75-A100 HydrophobicContact CB-CB 3.91Å; R75-A100 HydrophobicContact CG-CB 4.01Å; R89-A100 VanDerWaalsContact CA-O 3.24Å; R89-A100 WeakPolarHBondContact CA-O 3.45Å; A90-A100 PolarHBondContact N-O 3.02Å; A90-A100 PolarHBondContact O-N 2.85Å; L92-A100 HydrophobicContact CD1-CB 3.65Å; L92-A100 HydrophobicContact CG-CB 4.24Å; M95-A100 HydrophobicContact CE-CB 4.4Å; M95-A100 HydrophobicContact SD-CB 3.54Å; M95-A100 VanDerWaalsContact SD-CB 3.54Å; A100-V102 PolarHBondContact O-N 3.14Å
101	R	97.3	Very high	91.8	Very high	70 Å²	70	62 Å²	62	26%	0.264	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	129.4	179.2	179.7	-170.7	-61.5	-91.4	2	110.8	R75 C86 M88	R75-R101 WeakPolarHBondContact CB-O 3.29Å; R75-R101 WeakPolarHBondContact CD-O 3.13Å; R75-R101 PolarHBondContact N-O 3.32Å; R75-R101 VanDerWaalsContact NH1-CD 3.29Å; C86-R101 VanDerWaalsContact O-CD 3.23Å; C86-R101 WeakPolarHBondContact O-CD 3.44Å; C86-R101 WeakPolarHBondContact O-CG 3.28Å; C86-R101 PolarHBondContact O-NH1 3.15Å; M88-R101 CarbonylContact O-C 3.57Å; M88-R101 WeakPolarHBondContact O-CA 3.43Å
102	V	96.9	Very high	90.8	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	157.1	178.6	-65.6	0	0	0	0	110.3	C74 A76 C86 M88 A90 L92 A100 C106 A107 L110	C74-V102 VanDerWaalsContact SG-CA 3.59Å; A76-V102 HydrophobicContact CB-CG1 3.78Å; C86-V102 VanDerWaalsContact SG-C 3.56Å; M88-V102 HydrophobicContact CB-CG2 4.11Å; M88-V102 PolarHBondContact N-O 3.02Å; M88-V102 PolarHBondContact O-N 2.93Å; A90-V102 HydrophobicContact CB-CG1 4.15Å; A90-V102 HydrophobicContact CB-CG2 3.68Å; L92-V102 HydrophobicContact CD2-CG1 4.17Å; A100-V102 PolarHBondContact O-N 3.14Å; V102-C106 HydrophobicContact CB-CB 4.1Å; V102-A107 HydrophobicContact CG2-CB 3.77Å; V102-L110 HydrophobicContact CG1-CD1 4.43Å
103	C	96.1	Very high	89.3	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.014	33%	0.329	C	S	.	.			trans	-71	161.4	170.5	74.3	0	0	0	0	111.2	C74 R79 L81 C85 Q105 C106 A107	C74-C103 HydrophobicContact CB-CB 4.2Å; C74-C103 PolarHBondContact SG-N 2.85Å; R79-C103 PolarHBondContact NH2-SG 2.9Å; L81-C103 HydrophobicContact CD1-CB 3.22Å; C85-C103 WeakPolarHBondContact O-CA 3.49Å; C103-Q105 VanDerWaalsContact C-N 3.26Å; C103-Q105 PolarHBondContact O-N 2.9Å; C103-C106 PolarHBondContact O-N 3.22Å; C103-C106 VanDerWaalsContact O-N 3.15Å; C103-C106 PolarHBondContact SG-N 3.46Å; C103-C106 PolarHBondContact SG-SG 3.17Å; C103-A107 PolarHBondContact O-N 3.08Å
104	Q	92.9	Very high	87.5	Confident	96 Å²	96	63.5 Å²	63.5	45%	0.449	32%	0.324	S	S	.	.	H	α-helix	trans	-56.2	-41.9	-179.5	-62.2	176.4	7.1	0	0	112.1	D84 C85 M88 A107 S108	D84-Q104 PolarHBondContact O-NE2 3.27Å; C85-Q104 PolarHBondContact O-N 2.98Å; M88-Q104 HydrophobicContact CG-CG 4.33Å; M88-Q104 HydrophobicContact SD-CB 4.33Å; M88-Q104 HydrophobicContact SD-CG 4.27Å; Q104-A107 PolarHBondContact O-N 2.71Å; Q104-S108 PolarHBondContact O-N 3.24Å
105	Q	88.9	Confident	85.3	Confident	84 Å²	84	63.9 Å²	63.9	39%	0.393	35%	0.346	S	S	.	.	H	α-helix	trans	-63.5	-44.2	176.8	-69.3	176.5	-24	0	0	112.5	Q60 R79 C103 A107 S108 I109	Q60-Q105 VanDerWaalsContact NE2-NE2 3.13Å; R79-Q105 VanDerWaalsContact CZ-OE1 3.29Å; C103-Q105 VanDerWaalsContact C-N 3.26Å; C103-Q105 PolarHBondContact O-N 2.9Å; Q105-A107 VanDerWaalsContact C-N 3.29Å; Q105-A107 PolarHBondContact O-N 2.84Å; Q105-S108 PolarHBondContact O-N 3.11Å; Q105-S108 PolarHBondContact O-OG 3.35Å; Q105-I109 WeakPolarHBondContact O-CD1 3.25Å; Q105-I109 VanDerWaalsContact O-CG1 3.25Å; Q105-I109 WeakPolarHBondContact O-CG1 3.38Å; Q105-I109 PolarHBondContact O-N 3.42Å; Q105-I109 VanDerWaalsContact O-N 3.12Å
106	C	91.4	Very high	83.3	Confident	4 Å²	4	63.7 Å²	63.7	3%	0.027	35%	0.35	C	S	.	.	H	α-helix	trans	-68.1	-34.2	177.1	-70.9	0	0	0	0	111.6	L42 C74 A76 C77 V102 C103 L110	L42-C106 HydrophobicContact CD2-CB 4.21Å; C74-C106 VanDerWaalsContact SG-SG 3.67Å; A76-C106 HydrophobicContact CB-CB 3.79Å; C77-C106 PolarHBondContact SG-SG 3.02Å; V102-C106 HydrophobicContact CB-CB 4.1Å; C103-C106 PolarHBondContact O-N 3.22Å; C103-C106 VanDerWaalsContact O-N 3.15Å; C103-C106 PolarHBondContact SG-N 3.46Å; C103-C106 PolarHBondContact SG-SG 3.17Å; C106-L110 VanDerWaalsContact O-CB 3.26Å; C106-L110 WeakPolarHBondContact O-CB 3.47Å; C106-L110 WeakPolarHBondContact O-CD1 3.22Å; C106-L110 WeakPolarHBondContact O-CG 3.33Å; C106-L110 PolarHBondContact O-N 3.2Å
107	A	91.7	Very high	81.4	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.008	35%	0.347	C	S	.	.	H	α-helix	trans	-67.4	-39.5	177.3	0	0	0	0	0	112.5	M88 V102 C103 Q104 Q105 K111	M88-A107 HydrophobicContact CB-CB 3.77Å; M88-A107 HydrophobicContact CE-CB 3.26Å; M88-A107 HydrophobicContact CG-CB 4.23Å; M88-A107 HydrophobicContact SD-CB 3.45Å; M88-A107 WeakPolarHBondContact SD-CB 3.45Å; V102-A107 HydrophobicContact CG2-CB 3.77Å; C103-A107 PolarHBondContact O-N 3.08Å; Q104-A107 PolarHBondContact O-N 2.71Å; Q105-A107 VanDerWaalsContact C-N 3.29Å; Q105-A107 PolarHBondContact O-N 2.84Å; A107-K111 WeakPolarHBondContact O-CB 3.47Å; A107-K111 WeakPolarHBondContact O-CG 3.43Å; A107-K111 PolarHBondContact O-N 2.81Å
108	S	87.5	Confident	79.5	Confident	54 Å²	54	70.1 Å²	70.1	38%	0.378	36%	0.36	S	S	.	.	H	α-helix	trans	-64	-48.9	174.3	59.6	0	0	0	0	110.7	Q104 Q105 L110 K111 H112	Q104-S108 PolarHBondContact O-N 3.24Å; Q105-S108 PolarHBondContact O-N 3.11Å; Q105-S108 PolarHBondContact O-OG 3.35Å; S108-L110 VanDerWaalsContact C-N 3.33Å; S108-L110 PolarHBondContact O-N 2.99Å; S108-K111 PolarHBondContact O-N 2.8Å; S108-K111 VanDerWaalsContact O-N 3.15Å; S108-H112 PolarHBondContact O-CD2 2.85Å; S108-H112 PolarHBondContact O-N 2.8Å
109	I	83.7	Confident	77.7	Confident	48 Å²	48	66.5 Å²	66.5	25%	0.246	35%	0.348	C	S	.	.	H	α-helix	trans	-58	-45	178.2	-63.7	163.9	0	0	0	111.3	N39 L42 Q105 K111 G113	N39-I109 HydrophobicContact CB-CG2 4.3Å; L42-I109 HydrophobicContact CD2-CB 3.92Å; L42-I109 HydrophobicContact CD2-CD1 4.21Å; L42-I109 HydrophobicContact CD2-CG2 3.64Å; Q105-I109 WeakPolarHBondContact O-CD1 3.25Å; Q105-I109 VanDerWaalsContact O-CG1 3.25Å; Q105-I109 WeakPolarHBondContact O-CG1 3.38Å; Q105-I109 PolarHBondContact O-N 3.42Å; Q105-I109 VanDerWaalsContact O-N 3.12Å; I109-K111 VanDerWaalsContact C-N 3.35Å; I109-K111 PolarHBondContact O-N 2.96Å; I109-G113 PolarHBondContact O-N 3.4Å
110	L	86.6	Confident	75.8	Confident	48 Å²	48	70.1 Å²	70.1	25%	0.251	36%	0.358	S	S	.	.	H	α-helix	trans	-71.6	-26.5	-179.5	-70.5	168.3	0	0	0	113.4	L42 A76 A90 L92 V102 C106 S108	L42-L110 HydrophobicContact CD2-CD2 4.46Å; L42-L110 HydrophobicContact CD2-CG 4.2Å; L42-L110 HydrophobicContact CG-CD2 4.49Å; A76-L110 HydrophobicContact CB-CD1 4.16Å; A90-L110 HydrophobicContact CB-CB 4.25Å; A90-L110 HydrophobicContact CB-CD1 3.62Å; L92-L110 HydrophobicContact CD2-CD1 3.66Å; V102-L110 HydrophobicContact CG1-CD1 4.43Å; C106-L110 VanDerWaalsContact O-CB 3.26Å; C106-L110 WeakPolarHBondContact O-CB 3.47Å; C106-L110 WeakPolarHBondContact O-CD1 3.22Å; C106-L110 WeakPolarHBondContact O-CG 3.33Å; C106-L110 PolarHBondContact O-N 3.2Å; S108-L110 VanDerWaalsContact C-N 3.33Å; S108-L110 PolarHBondContact O-N 2.99Å
111	K	82.8	Confident	74.2	Confident	156 Å²	156	73.7 Å²	73.7	68%	0.678	38%	0.376	S	S	*	.	H	α-helix	trans	-75.2	-41.2	174.6	-80.3	178.2	178.5	-171.6	0	112.5	A107 S108 I109 G113	A107-K111 WeakPolarHBondContact O-CB 3.47Å; A107-K111 WeakPolarHBondContact O-CG 3.43Å; A107-K111 PolarHBondContact O-N 2.81Å; S108-K111 PolarHBondContact O-N 2.8Å; S108-K111 VanDerWaalsContact O-N 3.15Å; I109-K111 VanDerWaalsContact C-N 3.35Å; I109-K111 PolarHBondContact O-N 2.96Å; K111-G113 VanDerWaalsContact C-N 3.28Å; K111-G113 PolarHBondContact O-N 2.83Å
112	H	72.3	Confident	72.5	Confident	131 Å²	131	72.6 Å²	72.6	61%	0.606	38%	0.375	S	S	*	.	H	α-helix	trans	-80.3	-7.8	-178.1	-70	-72.8	0	0	0	113.4	S108 S116	S108-H112 PolarHBondContact O-CD2 2.85Å; S108-H112 PolarHBondContact O-N 2.8Å; H112-S116 WeakPolarHBondContact O-CB 3.34Å
113	G	61	Low	70.8	Confident	39 Å²	39	75.9 Å²	75.9	40%	0.402	39%	0.392	S	S	.	.			trans	80.7	153.5	178.9	0	0	0	0	0	112.8	I109 K111 G115	I109-G113 PolarHBondContact O-N 3.4Å; K111-G113 VanDerWaalsContact C-N 3.28Å; K111-G113 PolarHBondContact O-N 2.83Å; G113-G115 PolarHBondContact O-N 2.85Å
114	K	53.5	Low	69.3	Low	116 Å²	116	80.8 Å²	80.8	50%	0.504	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	101.3	177.6	-63.2	179.2	-176.4	178.8	0	108.5	C40	C40-K114 WeakPolarHBondContact O-CD 3.17Å; C40-K114 WeakPolarHBondContact O-CE 3.47Å; C40-K114 PolarHBondContact O-NZ 3.47Å
115	G	48	Very low	68	Low	67 Å²	67	83.2 Å²	83.2	69%	0.691	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.2	10.6	173.7	0	0	0	0	0	117	G113 Y117	G113-G115 PolarHBondContact O-N 2.85Å; G115-Y117 PolarHBondContact O-N 2.68Å
116	S	49.4	Very low	66.4	Low	49 Å²	49	79.7 Å²	79.7	34%	0.343	41%	0.411	S	S	.	.			trans	-81.9	43.8	175.1	-172	0	0	0	0	113.4	H112 F118	H112-S116 WeakPolarHBondContact O-CB 3.34Å; S116-F118 PolarHBondContact O-N 3.46Å; S116-F118 WeakPolarHBondContact OG-CE2 3.31Å
117	Y	52.3	Low	65.2	Low	166 Å²	166	84 Å²	84	65%	0.651	44%	0.437	S	S	*	.	S	Bend	trans	-76.9	112.3	142.3	-68.2	-76	0	0	0	103.3	G115 V119	G115-Y117 PolarHBondContact O-N 2.68Å; Y117-V119 PolarHBondContact O-N 3.06Å
118	F	51.6	Low	63.9	Low	130 Å²	130	90.2 Å²	90.2	57%	0.57	47%	0.469	S	S	*	.			trans	-59.6	143.4	178.1	-80.7	-91	0	0	0	107.1	S116 F120 D121 I122	S116-F118 PolarHBondContact O-N 3.46Å; S116-F118 WeakPolarHBondContact OG-CE2 3.31Å; F118-F120 HydrophobicContact CB-CB 4.26Å; F118-F120 HydrophobicContact CB-CD2 4.48Å; F118-F120 CarbonylContact O-C 3.23Å; F118-F120 PolarHBondContact O-N 3.15Å; F118-D121 PolarHBondContact N-OD2 3.09Å; F118-D121 VanDerWaalsContact N-OD2 3.09Å; F118-D121 WeakPolarHBondContact O-CB 3.44Å; F118-D121 PolarHBondContact O-N 2.89Å; F118-I122 PolarHBondContact O-N 2.87Å
119	V	55.9	Low	62.5	Low	53 Å²	53	89.1 Å²	89.1	32%	0.321	46%	0.461	S	S	.	.	H	α-helix	trans	-47.1	-29.4	170.8	-72.7	0	0	0	0	111.7	Y117 L123 F146	Y117-V119 PolarHBondContact O-N 3.06Å; V119-L123 VanDerWaalsContact O-CB 3.25Å; V119-L123 WeakPolarHBondContact O-CB 3.25Å; V119-L123 WeakPolarHBondContact O-CG 3.42Å; V119-L123 PolarHBondContact O-N 3.27Å; V119-F146 HydrophobicContact CB-CZ 4.4Å
120	F	55.3	Low	61.1	Low	151 Å²	151	94.2 Å²	94.2	66%	0.662	48%	0.483	S	S	*	.	H	α-helix	trans	-62.2	-42.3	170.9	-70.2	-75.7	0	0	0	114.6	F118 I122 L123 L124	F118-F120 HydrophobicContact CB-CB 4.26Å; F118-F120 HydrophobicContact CB-CD2 4.48Å; F118-F120 CarbonylContact O-C 3.23Å; F118-F120 PolarHBondContact O-N 3.15Å; F120-I122 VanDerWaalsContact C-N 3.32Å; F120-I122 PolarHBondContact O-N 3.23Å; F120-L123 PolarHBondContact O-N 3.17Å; F120-L124 WeakPolarHBondContact O-CB 3.27Å; F120-L124 PolarHBondContact O-N 3.31Å
121	D	63	Low	59.6	Low	83 Å²	83	97.1 Å²	97.1	44%	0.444	51%	0.508	S	S	.	.	H	α-helix	trans	-66.5	-38.9	179.3	-60.4	-39.4	0	0	0	110.7	F118 F125	F118-D121 PolarHBondContact N-OD2 3.09Å; F118-D121 VanDerWaalsContact N-OD2 3.09Å; F118-D121 WeakPolarHBondContact O-CB 3.44Å; F118-D121 PolarHBondContact O-N 2.89Å; D121-F125 WeakPolarHBondContact O-CB 3.21Å; D121-F125 PolarHBondContact O-N 2.7Å
122	I	61.3	Low	58.1	Low	47 Å²	47	94.7 Å²	94.7	24%	0.241	50%	0.502	C	S	.	.	H	α-helix	trans	-71.2	-46.5	176.9	-57.9	175	0	0	0	110.5	F118 F120 L124 F125 L126 V142	F118-I122 PolarHBondContact O-N 2.87Å; F120-I122 VanDerWaalsContact C-N 3.32Å; F120-I122 PolarHBondContact O-N 3.23Å; I122-L124 VanDerWaalsContact C-N 3.34Å; I122-L124 PolarHBondContact O-N 3.35Å; I122-F125 PolarHBondContact O-N 2.8Å; I122-L126 HydrophobicContact CG2-CD1 4.16Å; I122-L126 HydrophobicContact CG2-CG 4.47Å; I122-L126 VanDerWaalsContact O-CG 3.31Å; I122-L126 WeakPolarHBondContact O-CG 2.89Å; I122-L126 PolarHBondContact O-N 3.44Å; I122-V142 HydrophobicContact CG2-CG1 4.41Å; I122-V142 HydrophobicContact CG2-CG2 3.48Å; I122-V142 VanDerWaalsContact CG2-CG2 3.48Å
123	L	60.6	Low	57.2	Low	68 Å²	68	96.6 Å²	96.6	36%	0.356	51%	0.511	S	S	.	.	H	α-helix	trans	-60.7	-42.1	175.8	-77.9	171.3	0	0	0	111.7	V119 F120 L126 V127 F146	V119-L123 VanDerWaalsContact O-CB 3.25Å; V119-L123 WeakPolarHBondContact O-CB 3.25Å; V119-L123 WeakPolarHBondContact O-CG 3.42Å; V119-L123 PolarHBondContact O-N 3.27Å; F120-L123 PolarHBondContact O-N 3.17Å; L123-L126 PolarHBondContact O-N 2.74Å; L123-V127 VanDerWaalsContact O-CG2 3.28Å; L123-V127 WeakPolarHBondContact O-CG2 3Å; L123-V127 PolarHBondContact O-N 2.94Å; L123-F146 HydrophobicContact CD1-CZ 4.08Å
124	L	65.5	Low	56.7	Low	105 Å²	105	100.6 Å²	100.6	55%	0.55	52%	0.523	S	S	.	.	H	α-helix	trans	-63.1	-43.8	177.5	-178.3	62.7	0	0	0	111	F120 I122 L126 V127 I128	F120-L124 WeakPolarHBondContact O-CB 3.27Å; F120-L124 PolarHBondContact O-N 3.31Å; I122-L124 VanDerWaalsContact C-N 3.34Å; I122-L124 PolarHBondContact O-N 3.35Å; L124-L126 VanDerWaalsContact C-N 3.32Å; L124-L126 PolarHBondContact O-N 3.14Å; L124-V127 PolarHBondContact O-N 3.34Å; L124-I128 HydrophobicContact CD1-CD1 3.85Å; L124-I128 HydrophobicContact CD1-CG1 4.29Å; L124-I128 HydrophobicContact CG-CD1 3.83Å; L124-I128 WeakPolarHBondContact O-CB 3.37Å; L124-I128 WeakPolarHBondContact O-CD1 3.36Å; L124-I128 WeakPolarHBondContact O-CG1 3.46Å; L124-I128 PolarHBondContact O-N 3.07Å
125	F	65.1	Low	56.5	Low	147 Å²	147	95.5 Å²	95.5	65%	0.645	50%	0.502	S	S	*	.	H	α-helix	trans	-60	-42.9	173.4	-176.7	-98.1	0	0	0	111.7	D121 I122 I128 S129	D121-F125 WeakPolarHBondContact O-CB 3.21Å; D121-F125 PolarHBondContact O-N 2.7Å; I122-F125 PolarHBondContact O-N 2.8Å; F125-I128 PolarHBondContact O-N 3.27Å; F125-S129 VanDerWaalsContact O-CB 3.29Å; F125-S129 WeakPolarHBondContact O-CB 3.44Å; F125-S129 PolarHBondContact O-N 2.95Å; F125-S129 VanDerWaalsContact O-N 3.15Å; F125-S129 PolarHBondContact O-OG 3.15Å
126	L	56.4	Low	56.7	Low	11 Å²	11	97 Å²	97	6%	0.058	49%	0.493	C	S	.	.	H	α-helix	trans	-66.1	-43.1	179.1	-71.5	175.2	0	0	0	112.9	I122 L123 L124 S129 V138 V142	I122-L126 HydrophobicContact CG2-CD1 4.16Å; I122-L126 HydrophobicContact CG2-CG 4.47Å; I122-L126 VanDerWaalsContact O-CG 3.31Å; I122-L126 WeakPolarHBondContact O-CG 2.89Å; I122-L126 PolarHBondContact O-N 3.44Å; L123-L126 PolarHBondContact O-N 2.74Å; L124-L126 VanDerWaalsContact C-N 3.32Å; L124-L126 PolarHBondContact O-N 3.14Å; L126-S129 WeakPolarHBondContact CA-OG 3.41Å; L126-S129 PolarHBondContact O-N 2.86Å; L126-S129 VanDerWaalsContact O-N 3.15Å; L126-S129 PolarHBondContact O-OG 3.04Å; L126-V138 HydrophobicContact CD1-CG1 4.33Å; L126-V138 HydrophobicContact CD2-CB 3.89Å; L126-V138 HydrophobicContact CD2-CG1 3.77Å; L126-V138 HydrophobicContact CG-CG1 4.43Å; L126-V142 HydrophobicContact CD1-CB 4.48Å; L126-V142 HydrophobicContact CD1-CG2 4.21Å
127	V	66.4	Low	56.7	Low	93 Å²	93	101.4 Å²	101.4	56%	0.564	51%	0.508	S	S	*	.	H	α-helix	trans	-65.7	-39	177.6	173	0	0	0	0	111.3	L123 L124 S129	L123-V127 VanDerWaalsContact O-CG2 3.28Å; L123-V127 WeakPolarHBondContact O-CG2 3Å; L123-V127 PolarHBondContact O-N 2.94Å; L124-V127 PolarHBondContact O-N 3.34Å; V127-S129 PolarHBondContact O-N 3.26Å
128	I	63.9	Low	56.7	Low	133 Å²	133	96.2 Å²	96.2	68%	0.682	49%	0.494	S	S	*	.	H	α-helix	trans	-69.2	-21.9	176	-63.9	166.1	0	0	0	111.4	L124 F125	L124-I128 HydrophobicContact CD1-CD1 3.85Å; L124-I128 HydrophobicContact CD1-CG1 4.29Å; L124-I128 HydrophobicContact CG-CD1 3.83Å; L124-I128 WeakPolarHBondContact O-CB 3.37Å; L124-I128 WeakPolarHBondContact O-CD1 3.36Å; L124-I128 WeakPolarHBondContact O-CG1 3.46Å; L124-I128 PolarHBondContact O-N 3.07Å; F125-I128 PolarHBondContact O-N 3.27Å
129	S	58.9	Low	56.6	Low	30 Å²	30	96.3 Å²	96.3	21%	0.21	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	16.3	-173.3	75.2	0	0	0	0	115.7	F125 L126 V127 S131 N132	F125-S129 VanDerWaalsContact O-CB 3.29Å; F125-S129 WeakPolarHBondContact O-CB 3.44Å; F125-S129 PolarHBondContact O-N 2.95Å; F125-S129 VanDerWaalsContact O-N 3.15Å; F125-S129 PolarHBondContact O-OG 3.15Å; L126-S129 WeakPolarHBondContact CA-OG 3.41Å; L126-S129 PolarHBondContact O-N 2.86Å; L126-S129 VanDerWaalsContact O-N 3.15Å; L126-S129 PolarHBondContact O-OG 3.04Å; V127-S129 PolarHBondContact O-N 3.26Å; S129-S131 PolarHBondContact O-N 2.82Å; S129-N132 PolarHBondContact O-N 3.44Å
130	E	53	Low	56.2	Low	155 Å²	155	98.2 Å²	98.2	72%	0.724	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.5	-12	-174.1	-88.4	-175.6	168.6	0	0	116.5
131	S	54.5	Low	56	Low	109 Å²	109	94.3 Å²	94.3	76%	0.762	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	7.4	-177.2	70.1	0	0	0	0	117.1	S129	S129-S131 PolarHBondContact O-N 2.82Å
132	N	52.6	Low	55.5	Low	105 Å²	105	90.9 Å²	90.9	56%	0.561	47%	0.467	S	S	*	.			trans	-137.8	140.9	179.4	-98.4	1.4	0	0	0	115.3	S129 L134 S135	S129-N132 PolarHBondContact O-N 3.44Å; N132-L134 PolarHBondContact O-N 3.46Å; N132-S135 VanDerWaalsContact O-CB 3.27Å; N132-S135 WeakPolarHBondContact O-CB 3.13Å; N132-S135 PolarHBondContact O-N 3.42Å; N132-S135 PolarHBondContact O-OG 3.06Å
133	E	52.1	Low	54.9	Low	171 Å²	171	91.1 Å²	91.1	80%	0.799	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-27.1	178.8	-67.6	-179.2	150.9	0	0	114	S135 I136	E133-S135 PolarHBondContact O-N 2.88Å; E133-S135 VanDerWaalsContact O-N 3.15Å; E133-I136 PolarHBondContact O-N 3.39Å; E133-I136 VanDerWaalsContact O-N 3.1Å
134	L	51.5	Low	54.3	Low	123 Å²	123	93.2 Å²	93.2	64%	0.644	48%	0.481	S	S	*	.	H	α-helix	trans	-58.9	-24	173.8	-152.1	76.7	0	0	0	112.7	N132 V138	N132-L134 PolarHBondContact O-N 3.46Å; L134-V138 WeakPolarHBondContact O-CG2 3.4Å
135	S	49.6	Very low	53.5	Low	9 Å²	9	92.9 Å²	92.9	6%	0.063	48%	0.48	C	S	.	.	H	α-helix	trans	-72.6	-25.5	177.4	68	0	0	0	0	113.7	N132 E133 R139	N132-S135 VanDerWaalsContact O-CB 3.27Å; N132-S135 WeakPolarHBondContact O-CB 3.13Å; N132-S135 PolarHBondContact O-N 3.42Å; N132-S135 PolarHBondContact O-OG 3.06Å; E133-S135 PolarHBondContact O-N 2.88Å; E133-S135 VanDerWaalsContact O-N 3.15Å; S135-R139 WeakPolarHBondContact O-CB 3.21Å; S135-R139 PolarHBondContact O-N 3Å
136	I	51.2	Low	52.3	Low	98 Å²	98	90 Å²	90	50%	0.503	47%	0.467	S	S	.	.	H	α-helix	trans	-74.4	-46.8	-178.4	-61.6	173.7	0	0	0	110	E133 V138 R139 D140	E133-I136 PolarHBondContact O-N 3.39Å; E133-I136 VanDerWaalsContact O-N 3.1Å; I136-V138 PolarHBondContact O-N 2.97Å; I136-R139 WeakPolarHBondContact O-CB 3.35Å; I136-R139 PolarHBondContact O-N 3.39Å; I136-R139 VanDerWaalsContact O-N 3.11Å; I136-D140 PolarHBondContact O-N 3.09Å
137	Q	50.3	Low	51.5	Low	142 Å²	142	94 Å²	94	66%	0.664	49%	0.486	S	S	*	.	H	α-helix	trans	-67.1	-37.7	-178.9	-160.8	171.9	-39.2	0	0	112	R139 D140 D141	Q137-R139 VanDerWaalsContact C-N 3.35Å; Q137-D140 PolarHBondContact O-N 3.44Å; Q137-D141 PolarHBondContact O-N 3.39Å; Q137-D141 VanDerWaalsContact O-N 3.09Å
138	V	52.1	Low	50.5	Low	58 Å²	58	94.1 Å²	94.1	35%	0.352	48%	0.482	S	S	.	.	H	α-helix	trans	-69.9	-33.3	173.1	-178.4	0	0	0	0	111.1	L126 L134 I136 D140 D141 V142	L126-V138 HydrophobicContact CD1-CG1 4.33Å; L126-V138 HydrophobicContact CD2-CB 3.89Å; L126-V138 HydrophobicContact CD2-CG1 3.77Å; L126-V138 HydrophobicContact CG-CG1 4.43Å; L134-V138 WeakPolarHBondContact O-CG2 3.4Å; I136-V138 PolarHBondContact O-N 2.97Å; V138-D140 VanDerWaalsContact C-N 3.35Å; V138-D141 PolarHBondContact O-N 3.11Å; V138-V142 HydrophobicContact CG1-CG2 4.08Å; V138-V142 WeakPolarHBondContact O-CB 3.41Å; V138-V142 WeakPolarHBondContact O-CG2 3.24Å; V138-V142 PolarHBondContact O-N 2.87Å
139	R	49.4	Very low	49.3	Very low	132 Å²	132	91.6 Å²	91.6	50%	0.498	47%	0.468	S	S	.	.	H	α-helix	trans	-62.1	-42.6	173.3	-175.6	-174.9	-61.1	-175.4	-0.8	111.3	S135 I136 Q137 V142 C143	S135-R139 WeakPolarHBondContact O-CB 3.21Å; S135-R139 PolarHBondContact O-N 3Å; I136-R139 WeakPolarHBondContact O-CB 3.35Å; I136-R139 PolarHBondContact O-N 3.39Å; I136-R139 VanDerWaalsContact O-N 3.11Å; Q137-R139 VanDerWaalsContact C-N 3.35Å; R139-V142 PolarHBondContact O-N 3.2Å; R139-C143 VanDerWaalsContact O-CB 3.26Å; R139-C143 WeakPolarHBondContact O-CB 3.26Å; R139-C143 PolarHBondContact O-N 2.95Å
140	D	48.5	Very low	48.2	Very low	93 Å²	93	95.7 Å²	95.7	50%	0.497	48%	0.483	S	S	.	.	H	α-helix	trans	-64.9	-43.6	176.8	-68	-28.8	0	0	0	111.3	I136 Q137 V138 V142 C143 M144	I136-D140 PolarHBondContact O-N 3.09Å; Q137-D140 PolarHBondContact O-N 3.44Å; V138-D140 VanDerWaalsContact C-N 3.35Å; D140-V142 PolarHBondContact O-N 2.93Å; D140-C143 WeakPolarHBondContact O-CB 3.33Å; D140-C143 PolarHBondContact O-N 2.86Å; D140-M144 VanDerWaalsContact O-CG 3.27Å; D140-M144 WeakPolarHBondContact O-CG 3.47Å; D140-M144 PolarHBondContact O-N 3.37Å
141	D	50.5	Low	47.6	Very low	68 Å²	68	97.8 Å²	97.8	36%	0.364	49%	0.485	S	S	.	.	H	α-helix	trans	-66.4	-35.3	177.3	-74.7	-25.3	0	0	0	112.7	Q137 V138 M144 L145	Q137-D141 PolarHBondContact O-N 3.39Å; Q137-D141 VanDerWaalsContact O-N 3.09Å; V138-D141 PolarHBondContact O-N 3.11Å; D141-M144 WeakPolarHBondContact O-CB 3.18Å; D141-M144 PolarHBondContact O-N 3.1Å; D141-L145 PolarHBondContact O-N 3.46Å
142	V	52.1	Low	46.9	Very low	11 Å²	11	97.8 Å²	97.8	7%	0.067	48%	0.48	C	S	.	.	H	α-helix	trans	-73.3	-36.7	174.2	174.8	0	0	0	0	111.1	I122 L126 V138 R139 D140 M144 L145 F146	I122-V142 HydrophobicContact CG2-CG1 4.41Å; I122-V142 HydrophobicContact CG2-CG2 3.48Å; I122-V142 VanDerWaalsContact CG2-CG2 3.48Å; L126-V142 HydrophobicContact CD1-CB 4.48Å; L126-V142 HydrophobicContact CD1-CG2 4.21Å; V138-V142 HydrophobicContact CG1-CG2 4.08Å; V138-V142 WeakPolarHBondContact O-CB 3.41Å; V138-V142 WeakPolarHBondContact O-CG2 3.24Å; V138-V142 PolarHBondContact O-N 2.87Å; R139-V142 PolarHBondContact O-N 3.2Å; D140-V142 PolarHBondContact O-N 2.93Å; V142-M144 VanDerWaalsContact C-N 3.26Å; V142-M144 PolarHBondContact O-N 3.09Å; V142-L145 WeakPolarHBondContact O-CA 3.4Å; V142-L145 WeakPolarHBondContact O-CB 3.33Å; V142-L145 PolarHBondContact O-N 3.25Å; V142-F146 HydrophobicContact CG1-CD2 4.09Å; V142-F146 HydrophobicContact CG1-CE2 3.74Å; V142-F146 WeakPolarHBondContact O-CD2 3.4Å; V142-F146 PolarHBondContact O-N 3.47Å
143	C	48.9	Very low	46.5	Very low	53 Å²	53	101.6 Å²	101.6	36%	0.358	49%	0.487	S	S	.	.	H	α-helix	trans	-60.3	-39.8	170.3	-160.9	0	0	0	0	110.8	R139 D140 L145 F146 H147	R139-C143 VanDerWaalsContact O-CB 3.26Å; R139-C143 WeakPolarHBondContact O-CB 3.26Å; R139-C143 PolarHBondContact O-N 2.95Å; D140-C143 WeakPolarHBondContact O-CB 3.33Å; D140-C143 PolarHBondContact O-N 2.86Å; C143-L145 VanDerWaalsContact C-N 3.29Å; C143-L145 PolarHBondContact O-N 3.26Å; C143-F146 WeakPolarHBondContact O-CB 3.26Å; C143-F146 PolarHBondContact O-N 3.45Å; C143-F146 VanDerWaalsContact O-N 3.14Å; C143-H147 PolarHBondContact O-CD2 2.85Å; C143-H147 PolarHBondContact O-N 3.4Å
144	M	48	Very low	45.4	Very low	111 Å²	111	99.6 Å²	99.6	55%	0.547	48%	0.481	S	S	.	.	H	α-helix	trans	-62.4	-35.4	171.9	-71	-67.8	-72.4	0	0	112.1	D140 D141 V142 H147 L148	D140-M144 VanDerWaalsContact O-CG 3.27Å; D140-M144 WeakPolarHBondContact O-CG 3.47Å; D140-M144 PolarHBondContact O-N 3.37Å; D141-M144 WeakPolarHBondContact O-CB 3.18Å; D141-M144 PolarHBondContact O-N 3.1Å; V142-M144 VanDerWaalsContact C-N 3.26Å; V142-M144 PolarHBondContact O-N 3.09Å; M144-H147 PolarHBondContact O-N 3.21Å; M144-L148 WeakPolarHBondContact O-CB 3.27Å; M144-L148 VanDerWaalsContact O-CG 3.26Å; M144-L148 WeakPolarHBondContact O-CG 3.4Å; M144-L148 PolarHBondContact O-N 2.83Å
145	L	49.5	Very low	44.4	Very low	99 Å²	99	104.2 Å²	104.2	52%	0.518	49%	0.49	S	S	.	.	H	α-helix	trans	-66.8	-39.7	171.4	-68.6	172.9	0	0	0	112.4	D141 V142 C143 L148 E149	D141-L145 PolarHBondContact O-N 3.46Å; V142-L145 WeakPolarHBondContact O-CA 3.4Å; V142-L145 WeakPolarHBondContact O-CB 3.33Å; V142-L145 PolarHBondContact O-N 3.25Å; C143-L145 VanDerWaalsContact C-N 3.29Å; C143-L145 PolarHBondContact O-N 3.26Å; L145-L148 PolarHBondContact O-N 3.23Å; L145-E149 WeakPolarHBondContact O-CB 3.39Å; L145-E149 PolarHBondContact O-N 2.89Å
146	F	39.9	Very low	43.5	Very low	85 Å²	85	107.7 Å²	107.7	37%	0.373	51%	0.512	S	S	.	.	H	α-helix	trans	-59	-46.7	171.9	-78.8	-73.9	0	0	0	111.7	V119 L123 V142 C143 L148 E149 E150	V119-F146 HydrophobicContact CB-CZ 4.4Å; L123-F146 HydrophobicContact CD1-CZ 4.08Å; V142-F146 HydrophobicContact CG1-CD2 4.09Å; V142-F146 HydrophobicContact CG1-CE2 3.74Å; V142-F146 WeakPolarHBondContact O-CD2 3.4Å; V142-F146 PolarHBondContact O-N 3.47Å; C143-F146 WeakPolarHBondContact O-CB 3.26Å; C143-F146 PolarHBondContact O-N 3.45Å; C143-F146 VanDerWaalsContact O-N 3.14Å; F146-L148 PolarHBondContact O-N 2.78Å; F146-E149 PolarHBondContact O-N 2.78Å; F146-E150 PolarHBondContact O-N 3.44Å
147	H	39	Very low	42.8	Very low	97 Å²	97	109 Å²	109	45%	0.449	52%	0.52	S	S	.	.	H	α-helix	trans	-69.4	-30.8	178.9	-70.3	-43.8	0	0	0	113.4	C143 M144 E150 R151	C143-H147 PolarHBondContact O-CD2 2.85Å; C143-H147 PolarHBondContact O-N 3.4Å; M144-H147 PolarHBondContact O-N 3.21Å; H147-E150 IonicContact ND1-OE2 2.93Å; H147-E150 PolarHBondContact ND1-OE2 3.24Å; H147-R151 WeakPolarHBondContact O-CB 3.43Å; H147-R151 WeakPolarHBondContact O-CG 3.36Å; H147-R151 PolarHBondContact O-N 2.93Å
148	L	45.5	Very low	42	Very low	95 Å²	95	109.8 Å²	109.8	50%	0.497	53%	0.528	S	S	.	.	H	α-helix	trans	-70.3	-40.2	171.4	-76.8	170.3	0	0	0	111.2	M144 L145 F146 R151 T152	M144-L148 WeakPolarHBondContact O-CB 3.27Å; M144-L148 VanDerWaalsContact O-CG 3.26Å; M144-L148 WeakPolarHBondContact O-CG 3.4Å; M144-L148 PolarHBondContact O-N 2.83Å; L145-L148 PolarHBondContact O-N 3.23Å; F146-L148 PolarHBondContact O-N 2.78Å; L148-R151 PolarHBondContact O-N 3.3Å; L148-T152 WeakPolarHBondContact O-CG2 3.49Å; L148-T152 PolarHBondContact O-N 3.32Å; L148-T152 PolarHBondContact O-OG1 2.83Å
149	E	39.4	Very low	41.6	Very low	80 Å²	80	112.9 Å²	112.9	37%	0.374	55%	0.546	S	S	.	.	H	α-helix	trans	-66.6	-39.1	175.9	-160.4	165.2	168.9	0	0	111.3	L145 F146 T152 R153	L145-E149 WeakPolarHBondContact O-CB 3.39Å; L145-E149 PolarHBondContact O-N 2.89Å; F146-E149 PolarHBondContact O-N 2.78Å; E149-T152 WeakPolarHBondContact CA-OG1 3.47Å; E149-T152 CarbonylContact O-C 3.56Å; E149-T152 PolarHBondContact O-N 3.05Å; E149-T152 PolarHBondContact O-OG1 3.07Å; E149-R153 WeakPolarHBondContact O-CB 3.4Å; E149-R153 WeakPolarHBondContact O-CG 3.45Å; E149-R153 PolarHBondContact O-N 3.34Å; E149-R153 IonicContact OE1-CZ 3.44Å; E149-R153 IonicContact OE1-NE 2.74Å; E149-R153 PolarHBondContact OE1-NE 2.92Å; E149-R153 IonicContact OE1-NH2 3.44Å; E149-R153 PolarHBondContact OE1-NH2 2.87Å
150	E	35	Very low	40.9	Very low	115 Å²	115	114.6 Å²	114.6	54%	0.537	55%	0.554	S	S	.	*	H	α-helix	trans	-61.5	-42.9	168.6	-81.6	-178.3	154.6	0	0	112.5	F146 H147 T152 R153 L154	F146-E150 PolarHBondContact O-N 3.44Å; H147-E150 IonicContact ND1-OE2 2.93Å; H147-E150 PolarHBondContact ND1-OE2 3.24Å; E150-T152 VanDerWaalsContact C-N 3.27Å; E150-T152 PolarHBondContact O-N 3.42Å; E150-R153 PolarHBondContact O-N 3.16Å; E150-L154 VanDerWaalsContact O-CB 3.3Å; E150-L154 WeakPolarHBondContact O-CB 3.29Å; E150-L154 VanDerWaalsContact O-CG 3.29Å; E150-L154 WeakPolarHBondContact O-CG 3.3Å; E150-L154 PolarHBondContact O-N 2.73Å
151	R	39.8	Very low	40	Very low	200 Å²	200	117 Å²	117	76%	0.755	57%	0.566	S	S	*	*	H	α-helix	trans	-63.6	-31.6	173.8	-82.1	-173.8	-175.3	-152.9	2.5	113	H147 L148	H147-R151 WeakPolarHBondContact O-CB 3.43Å; H147-R151 WeakPolarHBondContact O-CG 3.36Å; H147-R151 PolarHBondContact O-N 2.93Å; L148-R151 PolarHBondContact O-N 3.3Å
152	T	39.8	Very low	39.4	Very low	108 Å²	108	118.7 Å²	118.7	66%	0.663	58%	0.581	S	S	*	*	H	α-helix	trans	-84.1	-24.3	176.5	62	0	0	0	0	113.4	L148 E149 E150	L148-T152 WeakPolarHBondContact O-CG2 3.49Å; L148-T152 PolarHBondContact O-N 3.32Å; L148-T152 PolarHBondContact O-OG1 2.83Å; E149-T152 WeakPolarHBondContact CA-OG1 3.47Å; E149-T152 CarbonylContact O-C 3.56Å; E149-T152 PolarHBondContact O-N 3.05Å; E149-T152 PolarHBondContact O-OG1 3.07Å; E150-T152 VanDerWaalsContact C-N 3.27Å; E150-T152 PolarHBondContact O-N 3.42Å
153	R	43.8	Very low	39.1	Very low	185 Å²	185	131.2 Å²	131.2	70%	0.698	64%	0.635	S	S	*	*	H	α-helix	trans	-85.6	-24	172.4	-73.3	-172	-164.2	-165.1	7.7	113.3	E149 E150 R155	E149-R153 WeakPolarHBondContact O-CB 3.4Å; E149-R153 WeakPolarHBondContact O-CG 3.45Å; E149-R153 PolarHBondContact O-N 3.34Å; E149-R153 IonicContact OE1-CZ 3.44Å; E149-R153 IonicContact OE1-NE 2.74Å; E149-R153 PolarHBondContact OE1-NE 2.92Å; E149-R153 IonicContact OE1-NH2 3.44Å; E149-R153 PolarHBondContact OE1-NH2 2.87Å; E150-R153 PolarHBondContact O-N 3.16Å; R153-R155 PolarHBondContact O-N 3.29Å
154	L	30.9	Very low	38.6	Very low	129 Å²	129	135.2 Å²	135.2	68%	0.675	65%	0.649	S	S	*	*			trans	-75.1	59.8	166.6	-71.1	172.1	0	0	0	110.6	E150 P156	E150-L154 VanDerWaalsContact O-CB 3.3Å; E150-L154 WeakPolarHBondContact O-CB 3.29Å; E150-L154 VanDerWaalsContact O-CG 3.29Å; E150-L154 WeakPolarHBondContact O-CG 3.3Å; E150-L154 PolarHBondContact O-N 2.73Å; L154-P156 WeakPolarHBondContact O-CD 3.21Å
155	R	29.2	Very low	38.1	Very low	220 Å²	220	136.4 Å²	136.4	83%	0.83	65%	0.654	S	S	*	*			trans	-94.7	81.2	140.9	-158.9	-178.5	-151.1	-135.7	4.6	105.7	R153 L157	R153-R155 PolarHBondContact O-N 3.29Å; R155-L157 PolarHBondContact O-N 2.96Å
156	P	31.2	Very low	37.5	Very low	83 Å²	83	138.5 Å²	138.5	54%	0.539	66%	0.662	S	S	.	*			trans	-65.2	129.2	165.5	29.1	-29.5	0	0	0	106.4	L154 L158	L154-P156 WeakPolarHBondContact O-CD 3.21Å; P156-L158 PolarHBondContact O-N 3.05Å
157	L	37.2	Very low	37.4	Very low	126 Å²	126	141.6 Å²	141.6	66%	0.66	68%	0.679	S	S	*	*			trans	-59.3	58.9	175.6	-67.9	157.3	0	0	0	112.1	R155 T159 Y160	R155-L157 PolarHBondContact O-N 2.96Å; L157-T159 PolarHBondContact O-N 2.95Å; L157-Y160 HydrophobicContact CB-CD2 4.25Å; L157-Y160 HydrophobicContact CD2-CE2 4.38Å
158	L	32.4	Very low	37.2	Very low	158 Å²	158	144.4 Å²	144.4	83%	0.827	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	33.9	171.7	-69.7	173.5	0	0	0	111.8	P156	P156-L158 PolarHBondContact O-N 3.05Å
159	T	43.5	Very low	36.7	Very low	122 Å²	122	147.7 Å²	147.7	75%	0.748	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	20	156.3	53.7	0	0	0	0	112	L157	L157-T159 PolarHBondContact O-N 2.95Å
160	Y	35.4	Very low	36.5	Very low	168 Å²	168	152.6 Å²	152.6	66%	0.659	73%	0.73	S	S	*	*			trans	-114.2	86.5	173.2	-76.7	-83.9	0	0	0	111	L157	L157-Y160 HydrophobicContact CB-CD2 4.25Å; L157-Y160 HydrophobicContact CD2-CE2 4.38Å
161	L	28.7	Very low	36.6	Very low	143 Å²	143	155.5 Å²	155.5	75%	0.749	75%	0.745	S	S	*	*			trans	52.7	162.6	131.8	-65	168.1	0	0	0	120.9
162	P	39.3	Very low	36.4	Very low	104 Å²	104	151.8 Å²	151.8	68%	0.675	74%	0.744	S	S	*	*			cis	-129.3	162.5	-3.2	14.2	11.7	0	0	0	115.6
163	F	44.9	Very low	36	Very low	275 Å²	275	155.7 Å²	155.7	100%	1.206	75%	0.752	S	S	*	*			trans	41.6	0	152.7	-64.9	-73.6	0	0	0	120.1

Retrieved 163 of 163 residues in 28.6 ms (Link to these results)

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