A0A077YVL9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YVL9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 146 aa.

						>A0A077YVL9_TRITR|A0A077YVL9
MLCQPAADLSVTVNKCLPADLTALLLARARASDDDDGDGGGGGREKLAFASCHSMLSLCALAFGALSKQRARANSSRKRSDRNAEWVIVGHKRRDNFKWTSSSECSPSVMSSGSVCCFEENGKHLATHALVVEQIPSHLMDDLCSS
					

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	25.2	Very low	25.7	Very low	243 Å²	243	137.5 Å²	137.5	100%	1.197	81%	0.808	S	S	*	*				0	147.3	0	-82.4	-175.5	-166.4	0	0	108.4
2	L	22.1	Very low	26.3	Very low	173 Å²	173	132.3 Å²	132.3	91%	0.906	78%	0.779	S	S	*	*			trans	83.4	85.9	-171	-61.8	169.4	0	0	0	115.2
3	C	24.8	Very low	26.7	Very low	125 Å²	125	128.2 Å²	128.2	85%	0.845	76%	0.756	S	S	*	*			trans	-84.3	136.8	147.1	-58.8	0	0	0	0	108
4	Q	22.9	Very low	27.1	Very low	183 Å²	183	126.9 Å²	126.9	86%	0.855	74%	0.743	S	S	*	*			trans	-135.6	123.3	145.2	-77.3	-150.2	-26	0	0	108.7
5	P	25.8	Very low	27.1	Very low	124 Å²	124	130.9 Å²	130.9	81%	0.805	75%	0.748	S	S	*	*			trans	-77	130.7	173	30.4	-28.5	0	0	0	109.3
6	A	27.4	Very low	27.5	Very low	87 Å²	87	130.3 Å²	130.3	72%	0.719	75%	0.752	S	S	*	*			trans	-67.7	131.1	168.1	0	0	0	0	0	108.8	D8	A6-D8 PolarHBondContact O-N 2.78Å; A6-D8 VanDerWaalsContact O-N 3.11Å
7	A	25.6	Very low	28	Very low	103 Å²	103	125.2 Å²	125.2	85%	0.851	72%	0.722	S	S	*	*	S	Bend	trans	-77.7	20.3	-175.2	0	0	0	0	0	114.3
8	D	25.8	Very low	28.4	Very low	144 Å²	144	120.6 Å²	120.6	77%	0.77	70%	0.697	S	S	*	*	S	Bend	trans	-153.3	126.6	175.8	-96.6	-42.2	0	0	0	108.1	A6	A6-D8 PolarHBondContact O-N 2.78Å; A6-D8 VanDerWaalsContact O-N 3.11Å
9	L	25.6	Very low	28.8	Very low	156 Å²	156	118.5 Å²	118.5	82%	0.817	70%	0.695	S	S	*	*			trans	76.4	77.4	-174	-62.4	150.2	0	0	0	116	V11	L9-V11 VanDerWaalsContact C-N 3.3Å; L9-V11 PolarHBondContact O-N 3.39Å
10	S	26.1	Very low	29.3	Very low	63 Å²	63	118.3 Å²	118.3	44%	0.441	69%	0.691	S	S	.	*			trans	-78.1	77.7	165.6	59.4	0	0	0	0	111.2	T12 Q134	S10-T12 VanDerWaalsContact C-N 3.28Å; S10-T12 PolarHBondContact O-N 3.29Å; S10-Q134 VanDerWaalsContact OG-CD 3.26Å; S10-Q134 PolarHBondContact OG-NE2 3.32Å; S10-Q134 PolarHBondContact OG-OE1 2.97Å
11	V	31.5	Very low	29.7	Very low	112 Å²	112	113 Å²	113	68%	0.679	66%	0.66	S	S	*	*			trans	-81.8	85.9	154.9	-176.9	0	0	0	0	106.6	L9 V13	L9-V11 VanDerWaalsContact C-N 3.3Å; L9-V11 PolarHBondContact O-N 3.39Å; V11-V13 VanDerWaalsContact C-N 3.28Å; V11-V13 HydrophobicContact CG1-CG2 3.83Å; V11-V13 PolarHBondContact O-N 3.34Å
12	T	32.6	Very low	30.7	Very low	75 Å²	75	104 Å²	104	46%	0.46	62%	0.619	S	S	.	*			trans	-72.8	87.5	171.6	-34.2	0	0	0	0	107.9	S10 N14	S10-T12 VanDerWaalsContact C-N 3.28Å; S10-T12 PolarHBondContact O-N 3.29Å; T12-N14 PolarHBondContact O-N 2.97Å
13	V	31.9	Very low	31.6	Very low	79 Å²	79	98.5 Å²	98.5	48%	0.479	60%	0.598	S	S	.	*			trans	-70.1	81.5	166.8	-176.2	0	0	0	0	107.6	V11 K15 L17	V11-V13 VanDerWaalsContact C-N 3.28Å; V11-V13 HydrophobicContact CG1-CG2 3.83Å; V11-V13 PolarHBondContact O-N 3.34Å; V13-K15 PolarHBondContact O-N 3.14Å; V13-L17 HydrophobicContact CG1-CB 4.36Å; V13-L17 HydrophobicContact CG1-CD1 3.63Å; V13-L17 HydrophobicContact CG1-CG 3.97Å
14	N	32.5	Very low	32.3	Very low	109 Å²	109	97.6 Å²	97.6	58%	0.583	59%	0.585	S	S	*	*			trans	-74.3	109	178.3	-114.2	-36.5	0	0	0	109.1	T12	T12-N14 PolarHBondContact O-N 2.97Å
15	K	26.9	Very low	33.3	Very low	187 Å²	187	91.2 Å²	91.2	81%	0.813	56%	0.556	S	S	*	*	S	Bend	trans	45.6	87.2	160.7	-62.5	-177.4	-179.2	175.3	0	116	V13	V13-K15 PolarHBondContact O-N 3.14Å
16	C	33.4	Very low	34.1	Very low	121 Å²	121	90.4 Å²	90.4	82%	0.818	54%	0.544	S	S	*	.			trans	174.6	5.8	144.6	-98	0	0	0	0	114.6
17	L	36.7	Very low	34.7	Very low	45 Å²	45	89.2 Å²	89.2	24%	0.236	54%	0.535	C	S	.	.	S	Bend	trans	-88	126.9	171.3	-70.4	-179.9	0	0	0	110.5	V13 L21 L25 L66	V13-L17 HydrophobicContact CG1-CB 4.36Å; V13-L17 HydrophobicContact CG1-CD1 3.63Å; V13-L17 HydrophobicContact CG1-CG 3.97Å; L17-L21 HydrophobicContact CB-CB 4.34Å; L17-L21 HydrophobicContact CD2-CB 4.27Å; L17-L21 HydrophobicContact CD2-CD1 4.34Å; L17-L21 HydrophobicContact CD2-CD2 4.46Å; L17-L25 HydrophobicContact CD1-CD1 3.7Å; L17-L66 HydrophobicContact CD2-CD1 4.38Å
18	P	34.6	Very low	35.2	Very low	42 Å²	42	91.1 Å²	91.1	27%	0.273	52%	0.52	S	S	.	.			trans	-51.1	143	165.8	-20	28.1	0	0	0	109.6	D20 L21 T22	P18-D20 PolarHBondContact O-N 3.14Å; P18-L21 HydrophobicContact CG-CD1 4.04Å; P18-L21 WeakPolarHBondContact O-CA 2.85Å; P18-L21 WeakPolarHBondContact O-CB 3.16Å; P18-L21 PolarHBondContact O-N 3.24Å; P18-T22 PolarHBondContact O-N 2.81Å
19	A	36.8	Very low	35.9	Very low	81 Å²	81	87 Å²	87	67%	0.669	51%	0.506	S	S	*	.	H	α-helix	trans	-50.8	-33.1	178.5	0	0	0	0	0	112.5	L21 A23	A19-L21 VanDerWaalsContact C-N 3.29Å; A19-L21 PolarHBondContact O-N 3.45Å; A19-A23 WeakPolarHBondContact O-CB 3.17Å; A19-A23 PolarHBondContact O-N 3.35Å
20	D	37.3	Very low	36.4	Very low	113 Å²	113	88.8 Å²	88.8	60%	0.604	50%	0.502	S	S	*	.	H	α-helix	trans	-61.9	-33.2	175.6	-63.3	-16.7	0	0	0	113.6	P18 L24	P18-D20 PolarHBondContact O-N 3.14Å; D20-L24 WeakPolarHBondContact O-CB 3.33Å; D20-L24 PolarHBondContact O-N 3.13Å
21	L	39.1	Very low	37	Very low	8 Å²	8	89 Å²	89	4%	0.042	51%	0.507	C	S	.	.	H	α-helix	trans	-82.5	-39.4	-176.9	-112.5	155.6	0	0	0	111.4	L17 P18 A19 A23 L24 L25 A65 L66	L17-L21 HydrophobicContact CB-CB 4.34Å; L17-L21 HydrophobicContact CD2-CB 4.27Å; L17-L21 HydrophobicContact CD2-CD1 4.34Å; L17-L21 HydrophobicContact CD2-CD2 4.46Å; P18-L21 HydrophobicContact CG-CD1 4.04Å; P18-L21 WeakPolarHBondContact O-CA 2.85Å; P18-L21 WeakPolarHBondContact O-CB 3.16Å; P18-L21 PolarHBondContact O-N 3.24Å; A19-L21 VanDerWaalsContact C-N 3.29Å; A19-L21 PolarHBondContact O-N 3.45Å; L21-A23 VanDerWaalsContact C-N 3.34Å; L21-L24 PolarHBondContact O-N 3.43Å; L21-L25 VanDerWaalsContact O-CG 3.23Å; L21-L25 WeakPolarHBondContact O-CG 3.48Å; L21-L25 PolarHBondContact O-N 2.91Å; L21-A65 HydrophobicContact CD1-CB 4.18Å; L21-A65 HydrophobicContact CD2-CB 3.77Å; L21-A65 HydrophobicContact CG-CB 4.25Å; L21-L66 HydrophobicContact CD1-CD2 4.38Å; L21-L66 HydrophobicContact CD1-CG 4.16Å
22	T	44.8	Very low	37.4	Very low	53 Å²	53	87.9 Å²	87.9	33%	0.325	50%	0.504	S	S	.	.	H	α-helix	trans	-61.6	-43.9	169.4	-54.4	0	0	0	0	110.7	P18 L24 L25 L26	P18-T22 PolarHBondContact O-N 2.81Å; T22-L24 VanDerWaalsContact C-N 3.35Å; T22-L24 PolarHBondContact O-N 3.02Å; T22-L25 PolarHBondContact O-N 2.93Å; T22-L26 HydrophobicContact CG2-CD1 3.86Å; T22-L26 WeakPolarHBondContact O-CB 3.34Å; T22-L26 WeakPolarHBondContact O-CD1 3.21Å; T22-L26 PolarHBondContact O-N 3.33Å
23	A	41.2	Very low	38.2	Very low	58 Å²	58	90.7 Å²	90.7	48%	0.479	52%	0.516	S	S	.	.	H	α-helix	trans	-63.3	-37.5	175.2	0	0	0	0	0	112.6	A19 L21 A27	A19-A23 WeakPolarHBondContact O-CB 3.17Å; A19-A23 PolarHBondContact O-N 3.35Å; L21-A23 VanDerWaalsContact C-N 3.34Å; A23-A27 WeakPolarHBondContact O-CB 3.35Å; A23-A27 PolarHBondContact O-N 2.85Å
24	L	40.6	Very low	38.9	Very low	107 Å²	107	93.8 Å²	93.8	56%	0.56	53%	0.53	S	S	*	.	H	α-helix	trans	-66.9	-39.7	175.7	-129.1	101.2	0	0	0	112.6	D20 L21 T22 A27 R28	D20-L24 WeakPolarHBondContact O-CB 3.33Å; D20-L24 PolarHBondContact O-N 3.13Å; L21-L24 PolarHBondContact O-N 3.43Å; T22-L24 VanDerWaalsContact C-N 3.35Å; T22-L24 PolarHBondContact O-N 3.02Å; L24-A27 PolarHBondContact O-N 3.09Å; L24-R28 PolarHBondContact O-N 3.4Å
25	L	43.1	Very low	39.7	Very low	48 Å²	48	95.4 Å²	95.4	25%	0.251	54%	0.539	S	S	.	.	H	α-helix	trans	-67	-42.5	177	-70	165.9	0	0	0	110.8	L17 L21 T22 A29 L58	L17-L25 HydrophobicContact CD1-CD1 3.7Å; L21-L25 VanDerWaalsContact O-CG 3.23Å; L21-L25 WeakPolarHBondContact O-CG 3.48Å; L21-L25 PolarHBondContact O-N 2.91Å; T22-L25 PolarHBondContact O-N 2.93Å; L25-A29 WeakPolarHBondContact O-CB 3.21Å; L25-A29 PolarHBondContact O-N 3.38Å; L25-L58 HydrophobicContact CD2-CD2 3.52Å
26	L	43.1	Very low	40.8	Very low	108 Å²	108	94 Å²	94	57%	0.565	54%	0.54	S	S	*	.	H	α-helix	trans	-65.2	-39.9	172.9	-95.8	131.4	0	0	0	112.9	T22 R30	T22-L26 HydrophobicContact CG2-CD1 3.86Å; T22-L26 WeakPolarHBondContact O-CB 3.34Å; T22-L26 WeakPolarHBondContact O-CD1 3.21Å; T22-L26 PolarHBondContact O-N 3.33Å; L26-R30 PolarHBondContact O-N 2.89Å
27	A	39.1	Very low	41.5	Very low	62 Å²	62	91.8 Å²	91.8	51%	0.512	54%	0.538	S	S	.	.	H	α-helix	trans	-67.7	-37.1	178.6	0	0	0	0	0	112.2	A23 L24 A31	A23-A27 WeakPolarHBondContact O-CB 3.35Å; A23-A27 PolarHBondContact O-N 2.85Å; L24-A27 PolarHBondContact O-N 3.09Å; A27-A31 PolarHBondContact O-N 2.86Å; A27-A31 VanDerWaalsContact O-N 3.15Å
28	R	37	Very low	41.8	Very low	143 Å²	143	98.2 Å²	98.2	54%	0.54	57%	0.573	S	S	.	*	H	α-helix	trans	-78.9	-32	176.9	-92.8	-167	172.5	176	-2.4	114.1	L24 R30 A31 S32	L24-R28 PolarHBondContact O-N 3.4Å; R28-R30 PolarHBondContact O-N 3.16Å; R28-A31 PolarHBondContact O-N 3.39Å; R28-A31 VanDerWaalsContact O-N 3.16Å; R28-S32 PolarHBondContact O-N 3.21Å
29	A	40.4	Very low	42.6	Very low	57 Å²	57	99.8 Å²	99.8	47%	0.471	60%	0.596	S	S	.	*	H	α-helix	trans	-60.3	-30.1	170.7	0	0	0	0	0	111.8	L25 S32	L25-A29 WeakPolarHBondContact O-CB 3.21Å; L25-A29 PolarHBondContact O-N 3.38Å; A29-S32 PolarHBondContact O-OG 3.27Å
30	R	35.7	Very low	42.9	Very low	194 Å²	194	99.8 Å²	99.8	73%	0.732	61%	0.605	S	S	*	*	H	α-helix	trans	-80.9	-31.8	172.3	-73	-166.6	171.2	-174.6	-2.6	114.2	L26 R28 S32 D33	L26-R30 PolarHBondContact O-N 2.89Å; R28-R30 PolarHBondContact O-N 3.16Å; R30-S32 VanDerWaalsContact C-N 3.3Å; R30-S32 PolarHBondContact O-N 2.93Å; R30-D33 PolarHBondContact O-N 3.29Å
31	A	37.9	Very low	42.8	Very low	66 Å²	66	98.6 Å²	98.6	55%	0.545	62%	0.618	S	S	.	*	H	α-helix	trans	-77	-14.1	-179.1	0	0	0	0	0	113.8	A27 R28	A27-A31 PolarHBondContact O-N 2.86Å; A27-A31 VanDerWaalsContact O-N 3.15Å; R28-A31 PolarHBondContact O-N 3.39Å; R28-A31 VanDerWaalsContact O-N 3.16Å
32	S	41.8	Very low	42.8	Very low	89 Å²	89	102.1 Å²	102.1	62%	0.622	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-2.5	172.2	65.5	0	0	0	0	113.9	R28 A29 R30	R28-S32 PolarHBondContact O-N 3.21Å; A29-S32 PolarHBondContact O-OG 3.27Å; R30-S32 VanDerWaalsContact C-N 3.3Å; R30-S32 PolarHBondContact O-N 2.93Å
33	D	47.8	Very low	42.5	Very low	134 Å²	134	101.9 Å²	101.9	72%	0.717	67%	0.665	S	S	*	*	S	Bend	trans	-91	-0.9	176.3	-79.1	-19.2	0	0	0	112.8	R30	R30-D33 PolarHBondContact O-N 3.29Å
34	D	47.8	Very low	42.5	Very low	145 Å²	145	110.9 Å²	110.9	78%	0.775	69%	0.687	S	S	*	*	S	Bend	trans	-103.9	7.7	-173.7	-84.7	-34.5	0	0	0	115.1
35	D	48.2	Very low	42.4	Very low	142 Å²	142	114.7 Å²	114.7	76%	0.759	70%	0.702	S	S	*	*	S	Bend	trans	-125.8	132.7	174.9	-101.5	-57.1	0	0	0	111.1
36	D	49.6	Very low	41.9	Very low	157 Å²	157	121.5 Å²	121.5	84%	0.84	73%	0.729	S	S	*	*			trans	89	78	173.7	-56.4	-33.8	0	0	0	119.6
37	G	49.4	Very low	41.2	Very low	76 Å²	76	122.5 Å²	122.5	78%	0.784	74%	0.735	S	S	*	*				47.6	107.6	110.2	0	0	0	0	0	120.9
38	D	42.9	Very low	40.7	Very low	180 Å²	180	123.4 Å²	123.4	96%	0.963	74%	0.742	S	S	*	*			trans	27.1	103.2	136.7	-155.8	25.8	0	0	0	119.2
39	G	50.4	Low	40.2	Very low	74 Å²	74	125.9 Å²	125.9	76%	0.763	76%	0.757	S	S	*	*			trans	-177.6	118.4	172	0	0	0	0	0	113.8
40	G	42.8	Very low	39.5	Very low	82 Å²	82	126.3 Å²	126.3	85%	0.845	76%	0.761	S	S	*	*			trans	-63.9	155	-169	0	0	0	0	0	117.6
41	G	36.1	Very low	39.3	Very low	87 Å²	87	120 Å²	120	90%	0.897	75%	0.746	S	S	*	*	S	Bend	trans	64.1	107.6	136.3	0	0	0	0	0	119
42	G	39.4	Very low	38.9	Very low	83 Å²	83	119.6 Å²	119.6	86%	0.856	74%	0.739	S	S	*	*			trans	121.8	12.9	156.4	0	0	0	0	0	117.9	R44	G42-R44 PolarHBondContact O-N 3.12Å
43	G	37.1	Very low	38.6	Very low	48 Å²	48	122.4 Å²	122.4	50%	0.495	74%	0.742	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.4	11	-162.5	0	0	0	0	0	119.9	L47	G43-L47 WeakPolarHBondContact O-CD1 3.35Å
44	R	41.6	Very low	37.9	Very low	246 Å²	246	119.2 Å²	119.2	93%	0.928	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-23.4	-170.7	-85	-175.3	149	-169.7	-8.2	116.3	G42	G42-R44 PolarHBondContact O-N 3.12Å
45	E	38.3	Very low	37.6	Very low	187 Å²	187	116.1 Å²	116.1	87%	0.874	71%	0.712	S	S	*	*	S	Bend	trans	-108.4	-3.2	-171.4	-64.8	-176.4	158.9	0	0	114.5
46	K	32.5	Very low	37.4	Very low	192 Å²	192	113.6 Å²	113.6	84%	0.835	70%	0.698	S	S	*	*	S	Bend	trans	-110.3	-2.8	176.4	-73.6	-173.1	176.7	179.8	0	114.9	A48	K46-A48 VanDerWaalsContact C-N 3.32Å; K46-A48 PolarHBondContact O-N 2.88Å
47	L	28.6	Very low	37.1	Very low	129 Å²	129	108.8 Å²	108.8	68%	0.675	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-15.7	178.3	-111.7	100.6	0	0	0	114	G43 F49	G43-L47 WeakPolarHBondContact O-CD1 3.35Å; L47-F49 PolarHBondContact O-N 2.89Å
48	A	28.3	Very low	36.9	Very low	80 Å²	80	108.6 Å²	108.6	66%	0.661	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-14.7	-174.3	0	0	0	0	0	114.8	K46 S51	K46-A48 VanDerWaalsContact C-N 3.32Å; K46-A48 PolarHBondContact O-N 2.88Å; A48-S51 PolarHBondContact O-OG 2.82Å
49	F	28.2	Very low	37.2	Very low	195 Å²	195	101.6 Å²	101.6	86%	0.855	62%	0.622	S	S	*	*	S	Bend	trans	-97.1	-21	-178.4	-139.5	-95.3	0	0	0	113.2	L47 S51	L47-F49 PolarHBondContact O-N 2.89Å; F49-S51 VanDerWaalsContact C-N 3.32Å
50	A	25.3	Very low	37.2	Very low	67 Å²	67	99.4 Å²	99.4	55%	0.554	60%	0.596	S	S	*	*	S	Bend	trans	-80.9	-10.8	175.9	0	0	0	0	0	113.3	S54	A50-S54 PolarHBondContact O-OG 3.41Å
51	S	30	Very low	37.5	Very low	60 Å²	60	99.4 Å²	99.4	42%	0.42	58%	0.577	S	S	.	*	H	α-helix	trans	-82.8	-18.7	-175.7	59.1	0	0	0	0	114.4	A48 F49 M55	A48-S51 PolarHBondContact O-OG 2.82Å; F49-S51 VanDerWaalsContact C-N 3.32Å; S51-M55 WeakPolarHBondContact O-CB 3.46Å; S51-M55 PolarHBondContact O-N 3.24Å; S51-M55 VanDerWaalsContact O-N 3.16Å
52	C	30.4	Very low	38.1	Very low	59 Å²	59	96 Å²	96	40%	0.399	54%	0.54	S	S	.	.	H	α-helix	trans	-77.1	-32.8	177.9	-69.4	0	0	0	0	112.8	M55 L56	C52-M55 PolarHBondContact O-N 3.08Å; C52-L56 PolarHBondContact O-N 2.9Å
53	H	34.7	Very low	38.8	Very low	148 Å²	148	96.2 Å²	96.2	69%	0.685	52%	0.518	S	S	*	.	H	α-helix	trans	-71	-35.6	177.4	-144	-88.9	0	0	0	111.6	S57	H53-S57 WeakPolarHBondContact O-CB 3.48Å; H53-S57 PolarHBondContact O-N 2.01Å; H53-S57 VanDerWaalsContact O-N 3.16Å; H53-S57 PolarHBondContact O-OG 2.86Å
54	S	34.7	Very low	39.4	Very low	67 Å²	67	94.7 Å²	94.7	47%	0.469	50%	0.501	S	S	.	.	H	α-helix	trans	-70.5	-35.6	174.9	-50.3	0	0	0	0	111.9	A50 S57 L58	A50-S54 PolarHBondContact O-OG 3.41Å; S54-S57 PolarHBondContact O-N 2.97Å; S54-L58 WeakPolarHBondContact O-CB 2.86Å; S54-L58 WeakPolarHBondContact O-CD1 3.27Å; S54-L58 WeakPolarHBondContact O-CG 2.97Å; S54-L58 PolarHBondContact O-N 3.11Å
55	M	40.7	Very low	39.6	Very low	80 Å²	80	84.1 Å²	84.1	39%	0.394	47%	0.467	S	S	.	.	H	α-helix	trans	-76.3	-39.5	-179.1	-153.1	152.6	73.4	0	0	112.7	S51 C52 S57 L58 C59 I135	S51-M55 WeakPolarHBondContact O-CB 3.46Å; S51-M55 PolarHBondContact O-N 3.24Å; S51-M55 VanDerWaalsContact O-N 3.16Å; C52-M55 PolarHBondContact O-N 3.08Å; M55-S57 VanDerWaalsContact C-N 3.29Å; M55-S57 PolarHBondContact O-N 2.95Å; M55-L58 PolarHBondContact O-N 2.89Å; M55-C59 WeakPolarHBondContact O-CB 3.08Å; M55-C59 PolarHBondContact O-N 2.92Å; M55-C59 PolarHBondContact O-SG 2.77Å; M55-I135 HydrophobicContact CE-CD1 3.76Å
56	L	44.3	Very low	40	Very low	88 Å²	88	78.3 Å²	78.3	46%	0.461	44%	0.441	S	S	.	.	H	α-helix	trans	-60.2	-40.9	168.5	-78.7	165.3	0	0	0	111.6	C52 C59 A60 L143	C52-L56 PolarHBondContact O-N 2.9Å; L56-C59 PolarHBondContact O-N 2.99Å; L56-A60 VanDerWaalsContact O-CB 3.3Å; L56-A60 WeakPolarHBondContact O-CB 2.96Å; L56-A60 PolarHBondContact O-N 3.34Å; L56-L143 HydrophobicContact CD1-CD2 4.47Å
57	S	42.2	Very low	40.6	Very low	56 Å²	56	71.3 Å²	71.3	39%	0.392	42%	0.417	S	S	.	.	H	α-helix	trans	-64.9	-41.1	174.3	-60.5	0	0	0	0	111.9	H53 S54 M55 A60 L61	H53-S57 WeakPolarHBondContact O-CB 3.48Å; H53-S57 PolarHBondContact O-N 2.01Å; H53-S57 VanDerWaalsContact O-N 3.16Å; H53-S57 PolarHBondContact O-OG 2.86Å; S54-S57 PolarHBondContact O-N 2.97Å; M55-S57 VanDerWaalsContact C-N 3.29Å; M55-S57 PolarHBondContact O-N 2.95Å; S57-A60 PolarHBondContact O-N 3.04Å; S57-L61 VanDerWaalsContact O-CB 3.27Å; S57-L61 WeakPolarHBondContact O-CB 3.36Å; S57-L61 WeakPolarHBondContact O-CD1 3.35Å; S57-L61 WeakPolarHBondContact O-CG 3.25Å; S57-L61 PolarHBondContact O-N 2.77Å
58	L	45.9	Very low	41.2	Very low	72 Å²	72	67.5 Å²	67.5	38%	0.377	40%	0.395	S	S	.	.	H	α-helix	trans	-66	-40.8	176.3	-80.1	157.5	0	0	0	112	L25 S54 M55 L61 A62	L25-L58 HydrophobicContact CD2-CD2 3.52Å; S54-L58 WeakPolarHBondContact O-CB 2.86Å; S54-L58 WeakPolarHBondContact O-CD1 3.27Å; S54-L58 WeakPolarHBondContact O-CG 2.97Å; S54-L58 PolarHBondContact O-N 3.11Å; M55-L58 PolarHBondContact O-N 2.89Å; L58-L61 PolarHBondContact O-N 3.24Å; L58-A62 WeakPolarHBondContact O-CB 3.42Å; L58-A62 PolarHBondContact O-N 2.98Å
59	C	50.4	Low	41.9	Very low	34 Å²	34	67.3 Å²	67.3	23%	0.23	38%	0.38	C	S	.	.	H	α-helix	trans	-64.7	-48.1	173.6	-71.5	0	0	0	0	111	M55 L56 L61 A62 F63	M55-C59 WeakPolarHBondContact O-CB 3.08Å; M55-C59 PolarHBondContact O-N 2.92Å; M55-C59 PolarHBondContact O-SG 2.77Å; L56-C59 PolarHBondContact O-N 2.99Å; C59-L61 VanDerWaalsContact C-N 3.3Å; C59-L61 PolarHBondContact O-N 3.01Å; C59-A62 PolarHBondContact O-N 3.01Å; C59-A62 VanDerWaalsContact O-N 3.16Å; C59-F63 HydrophobicContact CB-CE2 4.45Å; C59-F63 WeakPolarHBondContact O-CD2 3.3Å; C59-F63 PolarHBondContact O-N 3.39Å
60	A	48.7	Very low	42.6	Very low	27 Å²	27	66.3 Å²	66.3	22%	0.223	37%	0.371	C	S	.	.	H	α-helix	trans	-60.3	-38.3	176.4	0	0	0	0	0	112.4	L56 S57 G64 I88	L56-A60 VanDerWaalsContact O-CB 3.3Å; L56-A60 WeakPolarHBondContact O-CB 2.96Å; L56-A60 PolarHBondContact O-N 3.34Å; S57-A60 PolarHBondContact O-N 3.04Å; A60-G64 PolarHBondContact O-N 3.05Å; A60-I88 HydrophobicContact CB-CD1 4.19Å
61	L	49.3	Very low	43.3	Very low	82 Å²	82	65.9 Å²	65.9	43%	0.429	37%	0.367	S	S	.	.	H	α-helix	trans	-67.2	-42.2	173.8	-75.1	167.9	0	0	0	112.1	S57 L58 C59 G64 A65	S57-L61 VanDerWaalsContact O-CB 3.27Å; S57-L61 WeakPolarHBondContact O-CB 3.36Å; S57-L61 WeakPolarHBondContact O-CD1 3.35Å; S57-L61 WeakPolarHBondContact O-CG 3.25Å; S57-L61 PolarHBondContact O-N 2.77Å; L58-L61 PolarHBondContact O-N 3.24Å; C59-L61 VanDerWaalsContact C-N 3.3Å; C59-L61 PolarHBondContact O-N 3.01Å; L61-G64 PolarHBondContact O-N 3.46Å; L61-A65 WeakPolarHBondContact O-CB 3.46Å; L61-A65 PolarHBondContact O-N 3.47Å
62	A	50.1	Low	43.8	Very low	15 Å²	15	71.9 Å²	71.9	12%	0.124	38%	0.38	C	S	.	.	H	α-helix	trans	-64.1	-43.5	176.3	0	0	0	0	0	111.8	L58 C59 A65 L66	L58-A62 WeakPolarHBondContact O-CB 3.42Å; L58-A62 PolarHBondContact O-N 2.98Å; C59-A62 PolarHBondContact O-N 3.01Å; C59-A62 VanDerWaalsContact O-N 3.16Å; A62-A65 PolarHBondContact O-N 3.14Å; A62-L66 WeakPolarHBondContact O-CB 3.43Å; A62-L66 WeakPolarHBondContact O-CG 3.3Å; A62-L66 PolarHBondContact O-N 2.62Å
63	F	53.8	Low	44.5	Very low	89 Å²	89	72.3 Å²	72.3	39%	0.39	39%	0.388	S	S	.	.	H	α-helix	trans	-65.1	-40.2	173.3	-75.7	-65	0	0	0	112.4	C59 A65 L66 S67 W99	C59-F63 HydrophobicContact CB-CE2 4.45Å; C59-F63 WeakPolarHBondContact O-CD2 3.3Å; C59-F63 PolarHBondContact O-N 3.39Å; F63-A65 VanDerWaalsContact C-N 3.29Å; F63-A65 PolarHBondContact O-N 3.47Å; F63-L66 PolarHBondContact O-N 3.37Å; F63-S67 WeakPolarHBondContact O-CB 3.3Å; F63-S67 PolarHBondContact O-N 2.97Å; F63-S67 PolarHBondContact O-OG 3.41Å; F63-W99 HydrophobicContact CE2-CH2 4.35Å; F63-W99 HydrophobicContact CE2-CZ2 4.06Å; F63-W99 AromaticContact CZ-CH2 3.76Å; F63-W99 HydrophobicContact CZ-CH2 3.76Å; F63-W99 AromaticContact CZ-CZ2 3.83Å; F63-W99 HydrophobicContact CZ-CZ2 3.83Å
64	G	48.9	Very low	44.8	Very low	15 Å²	15	71.7 Å²	71.7	16%	0.155	39%	0.39	C	S	.	.	H	α-helix	trans	-61.3	-35.8	173.2	0	0	0	0	0	112.9	A60 L61 S67 K68	A60-G64 PolarHBondContact O-N 3.05Å; L61-G64 PolarHBondContact O-N 3.46Å; G64-S67 PolarHBondContact O-OG 3.08Å; G64-K68 WeakPolarHBondContact O-CD 2.98Å; G64-K68 VanDerWaalsContact O-CG 3.29Å; G64-K68 WeakPolarHBondContact O-CG 3.16Å; G64-K68 PolarHBondContact O-N 3.01Å
65	A	47.1	Very low	45.2	Very low	25 Å²	25	71.7 Å²	71.7	21%	0.207	39%	0.39	C	S	.	.	H	α-helix	trans	-75.6	-41.6	176.3	0	0	0	0	0	112.8	L21 L61 A62 F63 K68 Q69	L21-A65 HydrophobicContact CD1-CB 4.18Å; L21-A65 HydrophobicContact CD2-CB 3.77Å; L21-A65 HydrophobicContact CG-CB 4.25Å; L61-A65 WeakPolarHBondContact O-CB 3.46Å; L61-A65 PolarHBondContact O-N 3.47Å; A62-A65 PolarHBondContact O-N 3.14Å; F63-A65 VanDerWaalsContact C-N 3.29Å; F63-A65 PolarHBondContact O-N 3.47Å; A65-K68 WeakPolarHBondContact O-CB 3.49Å; A65-K68 PolarHBondContact O-N 2.82Å; A65-Q69 PolarHBondContact O-N 3.05Å
66	L	46.2	Very low	45.6	Very low	64 Å²	64	73 Å²	73	34%	0.335	41%	0.408	S	S	.	.	H	α-helix	trans	-63.2	-42.4	176.2	-81.9	159	0	0	0	112.1	L17 L21 A62 F63 K68 Q69 R70	L17-L66 HydrophobicContact CD2-CD1 4.38Å; L21-L66 HydrophobicContact CD1-CD2 4.38Å; L21-L66 HydrophobicContact CD1-CG 4.16Å; A62-L66 WeakPolarHBondContact O-CB 3.43Å; A62-L66 WeakPolarHBondContact O-CG 3.3Å; A62-L66 PolarHBondContact O-N 2.62Å; F63-L66 PolarHBondContact O-N 3.37Å; L66-K68 VanDerWaalsContact C-N 3.28Å; L66-K68 PolarHBondContact O-N 3.21Å; L66-Q69 PolarHBondContact O-N 3.42Å; L66-R70 PolarHBondContact O-N 3.37Å
67	S	44.7	Very low	45.6	Very low	45 Å²	45	79.4 Å²	79.4	32%	0.315	43%	0.425	S	S	.	.	H	α-helix	trans	-62.5	-34.9	175	58.5	0	0	0	0	112.1	F63 G64 R70 A71	F63-S67 WeakPolarHBondContact O-CB 3.3Å; F63-S67 PolarHBondContact O-N 2.97Å; F63-S67 PolarHBondContact O-OG 3.41Å; G64-S67 PolarHBondContact O-OG 3.08Å; S67-R70 PolarHBondContact O-N 3.09Å; S67-A71 VanDerWaalsContact O-CB 3.31Å; S67-A71 WeakPolarHBondContact O-CB 3.42Å; S67-A71 PolarHBondContact O-N 2.83Å
68	K	41.9	Very low	45.6	Very low	50 Å²	50	86 Å²	86	22%	0.217	45%	0.447	C	S	.	.	H	α-helix	trans	-69.7	-38.9	174.8	-77.2	168	-175.4	-107.9	0	113.9	G64 A65 L66 R70 R72 W86	G64-K68 WeakPolarHBondContact O-CD 2.98Å; G64-K68 VanDerWaalsContact O-CG 3.29Å; G64-K68 WeakPolarHBondContact O-CG 3.16Å; G64-K68 PolarHBondContact O-N 3.01Å; A65-K68 WeakPolarHBondContact O-CB 3.49Å; A65-K68 PolarHBondContact O-N 2.82Å; L66-K68 VanDerWaalsContact C-N 3.28Å; L66-K68 PolarHBondContact O-N 3.21Å; K68-R70 VanDerWaalsContact C-N 3.34Å; K68-R72 VanDerWaalsContact O-CB 3.29Å; K68-R72 WeakPolarHBondContact O-CB 3.48Å; K68-R72 VanDerWaalsContact O-CG 3.26Å; K68-R72 WeakPolarHBondContact O-CG 3.05Å; K68-R72 PolarHBondContact O-N 2.03Å; K68-W86 HydrophobicContact CD-CE3 3.8Å; K68-W86 HydrophobicContact CD-CH2 3.56Å; K68-W86 HydrophobicContact CD-CZ2 4.4Å; K68-W86 HydrophobicContact CD-CZ3 3.22Å
69	Q	43.7	Very low	45.2	Very low	76 Å²	76	94.7 Å²	94.7	36%	0.355	48%	0.475	S	S	.	.	H	α-helix	trans	-66.8	-40.1	174.9	-74.1	-171.4	-15.4	0	0	111.1	A65 L66 R72 A73	A65-Q69 PolarHBondContact O-N 3.05Å; L66-Q69 PolarHBondContact O-N 3.42Å; Q69-R72 PolarHBondContact O-N 3.46Å; Q69-A73 VanDerWaalsContact O-CB 3.29Å; Q69-A73 WeakPolarHBondContact O-CB 3.37Å; Q69-A73 PolarHBondContact O-N 2.86Å
70	R	41.8	Very low	44.7	Very low	173 Å²	173	97.6 Å²	97.6	65%	0.653	50%	0.495	S	S	*	.	H	α-helix	trans	-67.7	-39.5	176.9	-144.5	172.3	-170.8	173.9	1.3	112	L66 S67 K68 A73 N74	L66-R70 PolarHBondContact O-N 3.37Å; S67-R70 PolarHBondContact O-N 3.09Å; K68-R70 VanDerWaalsContact C-N 3.34Å; R70-A73 PolarHBondContact O-N 3.34Å; R70-N74 WeakPolarHBondContact O-CB 3.4Å; R70-N74 PolarHBondContact O-N 3Å
71	A	39.9	Very low	44.3	Very low	58 Å²	58	102.9 Å²	102.9	48%	0.479	52%	0.52	S	S	.	.	H	α-helix	trans	-64.3	-43.9	172.2	0	0	0	0	0	111.9	S67 N74 S75	S67-A71 VanDerWaalsContact O-CB 3.31Å; S67-A71 WeakPolarHBondContact O-CB 3.42Å; S67-A71 PolarHBondContact O-N 2.83Å; A71-N74 CarbonylContact O-C 3.59Å; A71-N74 PolarHBondContact O-N 3.16Å; A71-S75 WeakPolarHBondContact O-CB 3.17Å; A71-S75 PolarHBondContact O-N 3.47Å; A71-S75 PolarHBondContact O-OG 3.04Å
72	R	41.4	Very low	43.6	Very low	186 Å²	186	110.4 Å²	110.4	70%	0.702	54%	0.543	S	S	*	.	H	α-helix	trans	-63.9	-39.7	174.9	-77.9	178.6	178.8	-169.3	0.5	113.1	K68 Q69 N74 S75 S76	K68-R72 VanDerWaalsContact O-CB 3.29Å; K68-R72 WeakPolarHBondContact O-CB 3.48Å; K68-R72 VanDerWaalsContact O-CG 3.26Å; K68-R72 WeakPolarHBondContact O-CG 3.05Å; K68-R72 PolarHBondContact O-N 2.03Å; Q69-R72 PolarHBondContact O-N 3.46Å; R72-N74 VanDerWaalsContact C-N 3.3Å; R72-N74 PolarHBondContact O-N 3.36Å; R72-S75 WeakPolarHBondContact CA-OG 3.08Å; R72-S75 PolarHBondContact O-N 3.5Å; R72-S75 PolarHBondContact O-OG 2.88Å; R72-S76 PolarHBondContact O-N 3.48Å
73	A	43.7	Very low	42.9	Very low	68 Å²	68	117.1 Å²	117.1	56%	0.562	58%	0.577	S	S	*	*	H	α-helix	trans	-64.2	-37.8	175.8	0	0	0	0	0	111.3	Q69 R70	Q69-A73 VanDerWaalsContact O-CB 3.29Å; Q69-A73 WeakPolarHBondContact O-CB 3.37Å; Q69-A73 PolarHBondContact O-N 2.86Å; R70-A73 PolarHBondContact O-N 3.34Å
74	N	42.6	Very low	41.8	Very low	135 Å²	135	116.4 Å²	116.4	72%	0.722	59%	0.587	S	S	*	*	H	α-helix	trans	-80.8	-20.5	176.2	-73.8	-12	0	0	0	113.8	R70 A71 R72	R70-N74 WeakPolarHBondContact O-CB 3.4Å; R70-N74 PolarHBondContact O-N 3Å; A71-N74 CarbonylContact O-C 3.59Å; A71-N74 PolarHBondContact O-N 3.16Å; R72-N74 VanDerWaalsContact C-N 3.3Å; R72-N74 PolarHBondContact O-N 3.36Å
75	S	42.9	Very low	40.9	Very low	68 Å²	68	124 Å²	124	48%	0.476	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.5	11.1	-178.6	76.7	0	0	0	0	114.3	A71 R72 R77	A71-S75 WeakPolarHBondContact O-CB 3.17Å; A71-S75 PolarHBondContact O-N 3.47Å; A71-S75 PolarHBondContact O-OG 3.04Å; R72-S75 WeakPolarHBondContact CA-OG 3.08Å; R72-S75 PolarHBondContact O-N 3.5Å; R72-S75 PolarHBondContact O-OG 2.88Å; S75-R77 CarbonylContact O-C 3.58Å; S75-R77 PolarHBondContact O-N 3.16Å
76	S	49	Very low	40.3	Very low	108 Å²	108	132.1 Å²	132.1	76%	0.755	64%	0.644	S	S	*	*	S	Bend	trans	-62.2	-5.4	169.6	72.3	0	0	0	0	113.3	R72	R72-S76 PolarHBondContact O-N 3.48Å
77	R	43.4	Very low	39.3	Very low	222 Å²	222	134 Å²	134	84%	0.838	66%	0.657	S	S	*	*	S	Bend	trans	-109.5	105.8	162.4	-71.3	175.4	172.5	175	-2.5	109.1	S75	S75-R77 CarbonylContact O-C 3.58Å; S75-R77 PolarHBondContact O-N 3.16Å
78	K	42.3	Very low	38.8	Very low	194 Å²	194	137.5 Å²	137.5	84%	0.843	67%	0.672	S	S	*	*			trans	108.9	123.7	164.4	-59.6	-178.1	178.8	-176.4	0	115.6
79	R	38.2	Very low	38.1	Very low	255 Å²	255	140.5 Å²	140.5	96%	0.962	69%	0.694	S	S	*	*			trans	-97.5	86.2	-170.1	180	-170.3	-164.4	-176.9	4.5	107.9
80	S	38.7	Very low	37.4	Very low	94 Å²	94	138.9 Å²	138.9	66%	0.657	70%	0.697	S	S	*	*			trans	-164.6	165.5	162.5	69.8	0	0	0	0	108.9
81	D	41.8	Very low	36.9	Very low	139 Å²	139	134.9 Å²	134.9	74%	0.743	69%	0.686	S	S	*	*			trans	91.7	60	168.9	-48.2	-5.6	0	0	0	114.9
82	R	33.6	Very low	36.7	Very low	239 Å²	239	142 Å²	142	90%	0.902	71%	0.706	S	S	*	*			trans	-45.9	134	136.3	-68.1	175.7	176.7	-179.7	-2.4	108.2
83	N	35	Very low	36.6	Very low	157 Å²	157	142.5 Å²	142.5	84%	0.84	71%	0.708	S	S	*	*			trans	99.2	38.5	-178.3	-58.1	0.3	0	0	0	117.8	E85	N83-E85 PolarHBondContact O-N 3.35Å
84	A	30.5	Very low	36.9	Very low	74 Å²	74	146.5 Å²	146.5	61%	0.612	71%	0.709	S	S	*	*			trans	-72.4	77.7	161.2	0	0	0	0	0	110.7
85	E	29.9	Very low	37.5	Very low	173 Å²	173	147.5 Å²	147.5	81%	0.808	71%	0.714	S	S	*	*			trans	-53.1	130.4	166.7	-145	170.4	-160	0	0	109	N83 V87	N83-E85 PolarHBondContact O-N 3.35Å; E85-V87 PolarHBondContact O-N 2.87Å
86	W	34.6	Very low	38.1	Very low	197 Å²	197	147.8 Å²	147.8	75%	0.746	71%	0.71	S	S	*	*			trans	-81.5	84.6	-167.6	-62.5	68.9	0	0	0	109.6	K68	K68-W86 HydrophobicContact CD-CE3 3.8Å; K68-W86 HydrophobicContact CD-CH2 3.56Å; K68-W86 HydrophobicContact CD-CZ2 4.4Å; K68-W86 HydrophobicContact CD-CZ3 3.22Å
87	V	26.5	Very low	38.5	Very low	102 Å²	102	145.8 Å²	145.8	62%	0.618	69%	0.688	S	S	*	*			trans	-90.2	110.5	169.1	178.9	0	0	0	0	107.5	E85 V89	E85-V87 PolarHBondContact O-N 2.87Å; V87-V89 PolarHBondContact O-N 3.49Å
88	I	32.5	Very low	39.6	Very low	120 Å²	120	139.9 Å²	139.9	62%	0.615	67%	0.668	S	S	*	*			trans	-48.4	114.1	156.2	-65.4	166.7	0	0	0	104.5	A60 G90	A60-I88 HydrophobicContact CB-CD1 4.19Å; I88-G90 WeakPolarHBondContact O-CA 3.29Å; I88-G90 PolarHBondContact O-N 2.96Å
89	V	28	Very low	40.8	Very low	112 Å²	112	134.6 Å²	134.6	68%	0.679	64%	0.643	S	S	*	*			trans	-43.5	93.1	-164.8	175.9	0	0	0	0	110.2	V87 H91	V87-V89 PolarHBondContact O-N 3.49Å; V89-H91 VanDerWaalsContact C-N 3.35Å; V89-H91 PolarHBondContact O-N 3.42Å
90	G	29.7	Very low	42.2	Very low	42 Å²	42	122.6 Å²	122.6	43%	0.433	60%	0.598	S	S	.	*			trans	-78.1	94.7	178.3	0	0	0	0	0	105.1	I88 K92	I88-G90 WeakPolarHBondContact O-CA 3.29Å; I88-G90 PolarHBondContact O-N 2.96Å; G90-K92 PolarHBondContact O-N 2.92Å; G90-K92 VanDerWaalsContact O-N 3.12Å
91	H	31.7	Very low	43.5	Very low	89 Å²	89	118.9 Å²	118.9	41%	0.412	57%	0.572	S	S	.	*				42.4	69.7	114	-98.9	-60.6	0	0	0	115.3	V89 R94	V89-H91 VanDerWaalsContact C-N 3.35Å; V89-H91 PolarHBondContact O-N 3.42Å; H91-R94 HydrophobicContact CB-CG 3.6Å; H91-R94 PolarHBondContact CD2-NE 3.42Å; H91-R94 PolarHBondContact CD2-NH2 3.23Å; H91-R94 WeakPolarHBondContact CE1-CB 3.31Å; H91-R94 PolarHBondContact CE1-NE 3.28Å; H91-R94 VanDerWaalsContact CG-CG 3.49Å; H91-R94 WeakPolarHBondContact ND1-CA 3.41Å; H91-R94 WeakPolarHBondContact ND1-CB 3.41Å; H91-R94 VanDerWaalsContact ND1-CD 3.35Å; H91-R94 WeakPolarHBondContact ND1-CD 3.23Å; H91-R94 WeakPolarHBondContact ND1-CG 3.43Å; H91-R94 PolarHBondContact ND1-NE 3.02Å; H91-R94 PolarHBondContact NE2-NE 3.38Å; H91-R94 PolarHBondContact NE2-NH2 3.38Å; H91-R94 VanDerWaalsContact NE2-NH2 3.11Å
92	K	34.7	Very low	44.7	Very low	209 Å²	209	113.9 Å²	113.9	91%	0.909	55%	0.548	S	S	*	.	S	Bend	trans	-114.1	3.8	157.2	-84.8	-171.5	176.2	-179.6	0	113.6	G90	G90-K92 PolarHBondContact O-N 2.92Å; G90-K92 VanDerWaalsContact O-N 3.12Å
93	R	40.2	Very low	46.5	Very low	196 Å²	196	107.2 Å²	107.2	74%	0.74	54%	0.538	S	S	*	.	S	Bend	trans	-131.7	48	166.6	-66	-171	-174.5	-159.1	0.8	110	D95 N96 F97	R93-D95 PolarHBondContact O-N 2.95Å; R93-D95 VanDerWaalsContact O-N 3.14Å; R93-N96 PolarHBondContact O-N 3.49Å; R93-F97 HydrophobicContact CB-CE2 4.04Å; R93-F97 WeakPolarHBondContact O-CD2 3.49Å
94	R	49.1	Very low	48.2	Very low	152 Å²	152	104.6 Å²	104.6	57%	0.574	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-55.4	-32.9	-168	-49.8	-151.3	83.6	157.7	2.6	113.3	H91 N96	H91-R94 HydrophobicContact CB-CG 3.6Å; H91-R94 PolarHBondContact CD2-NE 3.42Å; H91-R94 PolarHBondContact CD2-NH2 3.23Å; H91-R94 WeakPolarHBondContact CE1-CB 3.31Å; H91-R94 PolarHBondContact CE1-NE 3.28Å; H91-R94 VanDerWaalsContact CG-CG 3.49Å; H91-R94 WeakPolarHBondContact ND1-CA 3.41Å; H91-R94 WeakPolarHBondContact ND1-CB 3.41Å; H91-R94 VanDerWaalsContact ND1-CD 3.35Å; H91-R94 WeakPolarHBondContact ND1-CD 3.23Å; H91-R94 WeakPolarHBondContact ND1-CG 3.43Å; H91-R94 PolarHBondContact ND1-NE 3.02Å; H91-R94 PolarHBondContact NE2-NE 3.38Å; H91-R94 PolarHBondContact NE2-NH2 3.38Å; H91-R94 VanDerWaalsContact NE2-NH2 3.11Å; R94-N96 PolarHBondContact O-N 2.89Å
95	D	54.4	Low	49.9	Very low	155 Å²	155	101.6 Å²	101.6	83%	0.829	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-76.3	-14.7	-165.5	-48.1	-31	0	0	0	113.4	R93	R93-D95 PolarHBondContact O-N 2.95Å; R93-D95 VanDerWaalsContact O-N 3.14Å
96	N	56	Low	51.4	Low	74 Å²	74	95.5 Å²	95.5	40%	0.396	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-104	0.3	-174.6	-65.3	-1.7	0	0	0	113.8	R93 R94 E120 N121	R93-N96 PolarHBondContact O-N 3.49Å; R94-N96 PolarHBondContact O-N 2.89Å; N96-E120 WeakPolarHBondContact O-CA 3.29Å; N96-N121 WeakPolarHBondContact CB-OD1 3.49Å; N96-N121 VanDerWaalsContact CG-OD1 3.24Å; N96-N121 PolarHBondContact ND2-OD1 3.28Å; N96-N121 PolarHBondContact O-N 3.45Å
97	F	57.5	Low	52.6	Low	66 Å²	66	91.2 Å²	91.2	29%	0.289	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.2	-177.4	-62.3	-74.3	0	0	0	110.7	R93 F118 E119 E120	R93-F97 HydrophobicContact CB-CE2 4.04Å; R93-F97 WeakPolarHBondContact O-CD2 3.49Å; F97-F118 HydrophobicContact CB-CE2 4.26Å; F97-F118 HydrophobicContact CB-CZ 4.04Å; F97-F118 AromaticContact CD1-CE1 3.45Å; F97-F118 HydrophobicContact CD1-CE1 3.45Å; F97-F118 VanDerWaalsContact CD1-CE1 3.45Å; F97-F118 HydrophobicContact CD1-CE2 4.17Å; F97-F118 AromaticContact CD1-CZ 3.19Å; F97-F118 HydrophobicContact CD1-CZ 3.19Å; F97-F118 AromaticContact CE1-CE1 3.77Å; F97-F118 HydrophobicContact CE1-CE1 3.77Å; F97-F118 AromaticContact CE1-CZ 3.82Å; F97-F118 HydrophobicContact CE1-CZ 3.82Å; F97-F118 AromaticContact CG-CZ 3.88Å; F97-F118 HydrophobicContact CG-CZ 3.88Å; F97-E119 WeakPolarHBondContact CA-O 3.2Å; F97-E120 HydrophobicContact CD1-CB 3.84Å; F97-E120 HydrophobicContact CD1-CG 3.95Å; F97-E120 HydrophobicContact CE1-CB 3.61Å; F97-E120 HydrophobicContact CE1-CG 3.32Å; F97-E120 WeakPolarHBondContact CE1-OE1 3.36Å; F97-E120 HydrophobicContact CZ-CG 3.92Å; F97-E120 WeakPolarHBondContact CZ-OE1 3.39Å
98	K	67.1	Low	53.9	Low	99 Å²	99	90.9 Å²	90.9	43%	0.43	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	146.4	170.4	58.1	170.9	-177.9	161.7	0	110	T100 E119	K98-T100 HydrophobicContact CD-CG2 3.83Å; K98-T100 HydrophobicContact CG-CG2 4.01Å; K98-E119 WeakPolarHBondContact CE-OE1 3.42Å; K98-E119 WeakPolarHBondContact CE-OE2 3.44Å; K98-E119 HydrophobicContact CG-CB 4.01Å; K98-E119 PolarHBondContact N-O 2.82Å; K98-E119 IonicContact NZ-OE1 3.85Å; K98-E119 IonicContact NZ-OE2 3.14Å; K98-E119 PolarHBondContact NZ-OE2 3.15Å; K98-E119 VanDerWaalsContact NZ-OE2 3.14Å; K98-E119 PolarHBondContact O-N 3.32Å
99	W	67.3	Low	54.6	Low	83 Å²	83	86 Å²	86	31%	0.314	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	138.9	161	-70	97.7	0	0	0	108	F63 C116 C117 F118	F63-W99 HydrophobicContact CE2-CH2 4.35Å; F63-W99 HydrophobicContact CE2-CZ2 4.06Å; F63-W99 AromaticContact CZ-CH2 3.76Å; F63-W99 HydrophobicContact CZ-CH2 3.76Å; F63-W99 AromaticContact CZ-CZ2 3.83Å; F63-W99 HydrophobicContact CZ-CZ2 3.83Å; W99-C116 HydrophobicContact CD2-CB 4.48Å; W99-C116 HydrophobicContact CE3-CB 3.66Å; W99-C116 HydrophobicContact CZ3-CB 4.2Å; W99-C116 WeakPolarHBondContact CZ3-O 3.21Å; W99-C117 CarbonylContact C-O 3.57Å; W99-C117 VanDerWaalsContact CA-O 3.3Å; W99-C117 WeakPolarHBondContact CA-O 3.29Å; W99-F118 HydrophobicContact CD2-CB 4.48Å; W99-F118 AromaticContact CD2-CD2 4Å; W99-F118 HydrophobicContact CD2-CD2 4Å; W99-F118 AromaticContact CE2-CD2 3.66Å; W99-F118 HydrophobicContact CE3-CB 4.03Å; W99-F118 HydrophobicContact CE3-CD2 4.39Å; W99-F118 HydrophobicContact CH2-CB 3.97Å; W99-F118 HydrophobicContact CH2-CD2 4.2Å; W99-F118 HydrophobicContact CH2-CG 4.45Å; W99-F118 HydrophobicContact CZ2-CB 4.41Å; W99-F118 AromaticContact CZ2-CD2 3.78Å; W99-F118 HydrophobicContact CZ2-CD2 3.78Å; W99-F118 HydrophobicContact CZ2-CG 4.45Å; W99-F118 HydrophobicContact CZ3-CB 3.77Å; W99-F118 HydrophobicContact CZ3-CD2 4.49Å; W99-F118 AromaticContact NE1-CD2 4Å
100	T	67.2	Low	55.6	Low	2 Å²	2	87 Å²	87	1%	0.012	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.5	179	50.6	0	0	0	0	109.5	K98 E104 C116 C117 E119 H124	K98-T100 HydrophobicContact CD-CG2 3.83Å; K98-T100 HydrophobicContact CG-CG2 4.01Å; T100-E104 WeakPolarHBondContact CB-OE2 3.49Å; T100-C116 WeakPolarHBondContact O-CA 3.05Å; T100-C117 PolarHBondContact N-O 2.86Å; T100-C117 PolarHBondContact O-N 3.42Å; T100-C117 PolarHBondContact OG1-O 2.98Å; T100-E119 HydrophobicContact CG2-CB 4.4Å; T100-H124 PolarHBondContact OG1-CD2 3.06Å; T100-H124 PolarHBondContact OG1-NE2 2.81Å; T100-H124 VanDerWaalsContact OG1-NE2 3.13Å
101	S	67	Low	56.7	Low	16 Å²	16	87.3 Å²	87.3	11%	0.112	44%	0.442	C	S	.	.			trans	-68	164.4	-178.5	66.9	0	0	0	0	112	S103 E104 C105 V115 D141	S101-S103 PolarHBondContact O-N 3.31Å; S101-S103 VanDerWaalsContact O-N 3.08Å; S101-S103 PolarHBondContact OG-OG 3.36Å; S101-E104 PolarHBondContact N-OE2 3.22Å; S101-E104 PolarHBondContact O-N 3.32Å; S101-C105 PolarHBondContact O-N 2.81Å; S101-C105 VanDerWaalsContact O-N 3.16Å; S101-C105 PolarHBondContact O-SG 3.06Å; S101-C105 VanDerWaalsContact O-SG 3.41Å; S101-V115 CarbonylContact C-O 3.56Å; S101-D141 VanDerWaalsContact CB-OD1 3.25Å; S101-D141 WeakPolarHBondContact CB-OD1 3.48Å
102	S	66.6	Low	57.9	Low	34 Å²	34	89 Å²	89	24%	0.238	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.5	176.3	63.9	0	0	0	0	113.5	E104 C105 V115	S102-E104 VanDerWaalsContact C-N 3.3Å; S102-C105 WeakPolarHBondContact O-CB 3.45Å; S102-V115 WeakPolarHBondContact CA-O 3.45Å; S102-V115 VanDerWaalsContact CB-O 3.3Å; S102-V115 WeakPolarHBondContact CB-O 3.48Å; S102-V115 PolarHBondContact N-O 3.35Å
103	S	70.6	Confident	59.1	Low	99 Å²	99	80.4 Å²	80.4	69%	0.692	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-24	177.9	72.7	0	0	0	0	113.5	S101	S101-S103 PolarHBondContact O-N 3.31Å; S101-S103 VanDerWaalsContact O-N 3.08Å; S101-S103 PolarHBondContact OG-OG 3.36Å
104	E	70.1	Confident	60.2	Low	103 Å²	103	71.9 Å²	71.9	48%	0.481	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-17.6	-179.7	-65.8	-179.9	122.3	0	0	112.3	T100 S101 S102 H124	T100-E104 WeakPolarHBondContact CB-OE2 3.49Å; S101-E104 PolarHBondContact N-OE2 3.22Å; S101-E104 PolarHBondContact O-N 3.32Å; S102-E104 VanDerWaalsContact C-N 3.3Å; E104-H124 PolarHBondContact O-CE1 3.03Å; E104-H124 PolarHBondContact O-NE2 2.99Å
105	C	66.6	Low	60.7	Low	11 Å²	11	64.8 Å²	64.8	7%	0.074	38%	0.378	C	S	.	.	S	Bend	trans	-53.9	137.5	175	-71.4	0	0	0	0	112.5	S101 S102 C117	S101-C105 PolarHBondContact O-N 2.81Å; S101-C105 VanDerWaalsContact O-N 3.16Å; S101-C105 PolarHBondContact O-SG 3.06Å; S101-C105 VanDerWaalsContact O-SG 3.41Å; S102-C105 WeakPolarHBondContact O-CB 3.45Å; C105-C117 HydrophobicContact CB-CB 4.11Å; C105-C117 WeakPolarHBondContact CB-SG 3.31Å; C105-C117 WeakPolarHBondContact SG-CB 3.36Å; C105-C117 CovalentContact SG-SG 2.01Å; C105-C117 PolarHBondContact SG-SG 2.88Å
106	S	63	Low	61.2	Low	44 Å²	44	57.8 Å²	57.8	31%	0.308	34%	0.341	S	S	.	.			trans	-54.8	141.4	169.1	175.8	0	0	0	0	110.6	S108 V109 H124	S106-S108 PolarHBondContact O-N 3.16Å; S106-S108 PolarHBondContact OG-OG 2.76Å; S106-V109 PolarHBondContact O-N 2.98Å; S106-H124 PolarHBondContact N-ND1 3.41Å
107	P	58.3	Low	61.8	Low	107 Å²	107	54.4 Å²	54.4	70%	0.695	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-52.5	-27	-179.6	-26.3	32.6	0	0	0	114.2	V109 M110	P107-V109 PolarHBondContact O-N 2.83Å; P107-M110 PolarHBondContact O-N 2.82Å
108	S	53.9	Low	62.2	Low	96 Å²	96	53.2 Å²	53.2	67%	0.671	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-65.6	-12.1	176	56.9	0	0	0	0	115.1	S106	S106-S108 PolarHBondContact O-N 3.16Å; S106-S108 PolarHBondContact OG-OG 2.76Å
109	V	48.5	Very low	62.1	Low	17 Å²	17	50 Å²	50	10%	0.103	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-108.8	-5.4	-178	-167.4	0	0	0	0	111.8	S106 P107 S111 C117 A126 A129	S106-V109 PolarHBondContact O-N 2.98Å; P107-V109 PolarHBondContact O-N 2.83Å; V109-S111 PolarHBondContact O-N 3.45Å; V109-C117 VanDerWaalsContact CG1-SG 3.6Å; V109-A126 HydrophobicContact CG2-CB 3.77Å; V109-A129 HydrophobicContact CG1-CB 3.69Å
110	M	47.7	Very low	62	Low	133 Å²	133	49.3 Å²	49.3	66%	0.655	31%	0.305	S	S	*	.			trans	-71.6	97.6	-176.5	-65.5	-175.6	68.4	0	0	111.2	P107	P107-M110 PolarHBondContact O-N 2.82Å
111	S	52.8	Low	62.1	Low	49 Å²	49	53.8 Å²	53.8	34%	0.343	33%	0.328	S	S	.	.			trans	-86.6	165.3	157.8	76.6	0	0	0	0	109.3	V109 G113 V131	V109-S111 PolarHBondContact O-N 3.45Å; S111-G113 PolarHBondContact O-N 3.21Å; S111-V131 VanDerWaalsContact OG-CG1 3.31Å; S111-V131 WeakPolarHBondContact OG-CG1 3.27Å; S111-V131 WeakPolarHBondContact OG-CG2 3.41Å
112	S	57.9	Low	62.4	Low	125 Å²	125	55.7 Å²	55.7	87%	0.874	35%	0.351	S	S	*	.	S	Bend	trans	-68.3	32.4	-173.9	52.4	0	0	0	0	115.5
113	G	60.4	Low	62.5	Low	27 Å²	27	61.6 Å²	61.6	28%	0.278	37%	0.372	S	S	.	.	S	Bend	trans	-149.1	176.4	-177.4	0	0	0	0	0	113.4	S111 V115	S111-G113 PolarHBondContact O-N 3.21Å; G113-V115 PolarHBondContact O-N 3.45Å
114	S	61.9	Low	62.2	Low	17 Å²	17	59.3 Å²	59.3	12%	0.119	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	126.2	171.2	-47.1	0	0	0	0	108.7	V132 I135 S137 M140	S114-V132 PolarHBondContact O-N 2.83Å; S114-I135 PolarHBondContact OG-O 3.45Å; S114-S137 WeakPolarHBondContact OG-CA 3.4Å; S114-M140 WeakPolarHBondContact O-CE 3.29Å
115	V	59.7	Low	61.6	Low	3 Å²	3	57.1 Å²	57.1	2%	0.018	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.2	-175.5	178.6	0	0	0	0	110.5	S101 S102 G113 A129 L130 V131	S101-V115 CarbonylContact C-O 3.56Å; S102-V115 WeakPolarHBondContact CA-O 3.45Å; S102-V115 VanDerWaalsContact CB-O 3.3Å; S102-V115 WeakPolarHBondContact CB-O 3.48Å; S102-V115 PolarHBondContact N-O 3.35Å; G113-V115 PolarHBondContact O-N 3.45Å; V115-A129 HydrophobicContact CG1-CB 3.63Å; V115-L130 VanDerWaalsContact CA-O 3.29Å; V115-L130 WeakPolarHBondContact CA-O 3.12Å; V115-V131 HydrophobicContact CG2-CB 4.41Å; V115-V131 HydrophobicContact CG2-CG1 4.43Å; V115-V131 HydrophobicContact CG2-CG2 3.91Å
116	C	65.1	Low	60.7	Low	8 Å²	8	59.5 Å²	59.5	5%	0.054	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	126.1	159.6	-62.9	0	0	0	0	109.4	W99 T100 A129 L130 C144	W99-C116 HydrophobicContact CD2-CB 4.48Å; W99-C116 HydrophobicContact CE3-CB 3.66Å; W99-C116 HydrophobicContact CZ3-CB 4.2Å; W99-C116 WeakPolarHBondContact CZ3-O 3.21Å; T100-C116 WeakPolarHBondContact O-CA 3.05Å; C116-A129 WeakPolarHBondContact O-CA 3.26Å; C116-L130 HydrophobicContact CB-CB 4.5Å; C116-L130 PolarHBondContact N-O 3.04Å; C116-L130 PolarHBondContact O-N 3.47Å; C116-L130 VanDerWaalsContact O-N 3.16Å; C116-C144 WeakPolarHBondContact CA-SG 3.11Å; C116-C144 HydrophobicContact CB-CB 4.03Å; C116-C144 WeakPolarHBondContact CB-SG 3.37Å; C116-C144 VanDerWaalsContact SG-CA 3.6Å; C116-C144 WeakPolarHBondContact SG-CB 3.35Å; C116-C144 CovalentContact SG-SG 2.03Å; C116-C144 PolarHBondContact SG-SG 3.39Å
117	C	68.2	Low	59.9	Low	3 Å²	3	63.1 Å²	63.1	2%	0.02	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	141	172.9	-75.1	0	0	0	0	111.1	W99 T100 C105 V109	W99-C117 CarbonylContact C-O 3.57Å; W99-C117 VanDerWaalsContact CA-O 3.3Å; W99-C117 WeakPolarHBondContact CA-O 3.29Å; T100-C117 PolarHBondContact N-O 2.86Å; T100-C117 PolarHBondContact O-N 3.42Å; T100-C117 PolarHBondContact OG1-O 2.98Å; C105-C117 HydrophobicContact CB-CB 4.11Å; C105-C117 WeakPolarHBondContact CB-SG 3.31Å; C105-C117 WeakPolarHBondContact SG-CB 3.36Å; C105-C117 CovalentContact SG-SG 2.01Å; C105-C117 PolarHBondContact SG-SG 2.88Å; V109-C117 VanDerWaalsContact CG1-SG 3.6Å
118	F	66.5	Low	59.4	Low	42 Å²	42	61 Å²	61	18%	0.184	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	118.6	171.4	-170.1	-106.9	0	0	0	109.9	F97 W99 L125 H128	F97-F118 HydrophobicContact CB-CE2 4.26Å; F97-F118 HydrophobicContact CB-CZ 4.04Å; F97-F118 AromaticContact CD1-CE1 3.45Å; F97-F118 HydrophobicContact CD1-CE1 3.45Å; F97-F118 VanDerWaalsContact CD1-CE1 3.45Å; F97-F118 HydrophobicContact CD1-CE2 4.17Å; F97-F118 AromaticContact CD1-CZ 3.19Å; F97-F118 HydrophobicContact CD1-CZ 3.19Å; F97-F118 AromaticContact CE1-CE1 3.77Å; F97-F118 HydrophobicContact CE1-CE1 3.77Å; F97-F118 AromaticContact CE1-CZ 3.82Å; F97-F118 HydrophobicContact CE1-CZ 3.82Å; F97-F118 AromaticContact CG-CZ 3.88Å; F97-F118 HydrophobicContact CG-CZ 3.88Å; W99-F118 HydrophobicContact CD2-CB 4.48Å; W99-F118 AromaticContact CD2-CD2 4Å; W99-F118 HydrophobicContact CD2-CD2 4Å; W99-F118 AromaticContact CE2-CD2 3.66Å; W99-F118 HydrophobicContact CE3-CB 4.03Å; W99-F118 HydrophobicContact CE3-CD2 4.39Å; W99-F118 HydrophobicContact CH2-CB 3.97Å; W99-F118 HydrophobicContact CH2-CD2 4.2Å; W99-F118 HydrophobicContact CH2-CG 4.45Å; W99-F118 HydrophobicContact CZ2-CB 4.41Å; W99-F118 AromaticContact CZ2-CD2 3.78Å; W99-F118 HydrophobicContact CZ2-CD2 3.78Å; W99-F118 HydrophobicContact CZ2-CG 4.45Å; W99-F118 HydrophobicContact CZ3-CB 3.77Å; W99-F118 HydrophobicContact CZ3-CD2 4.49Å; W99-F118 AromaticContact NE1-CD2 4Å; F118-L125 HydrophobicContact CD1-CB 4.49Å; F118-L125 HydrophobicContact CD1-CD1 3.87Å; F118-L125 HydrophobicContact CE1-CD1 4.11Å; F118-L125 PolarHBondContact O-N 2.68Å; F118-H128 HydrophobicContact CB-CB 3.76Å; F118-H128 HydrophobicContact CG-CB 4.4Å; F118-H128 PolarHBondContact N-O 3.47Å
119	E	65.3	Low	59.1	Low	32 Å²	32	58.2 Å²	58.2	15%	0.15	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.6	174.5	-163.7	-171.5	115	0	0	110.3	F97 K98 T100 G122 K123 H124	F97-E119 WeakPolarHBondContact CA-O 3.2Å; K98-E119 WeakPolarHBondContact CE-OE1 3.42Å; K98-E119 WeakPolarHBondContact CE-OE2 3.44Å; K98-E119 HydrophobicContact CG-CB 4.01Å; K98-E119 PolarHBondContact N-O 2.82Å; K98-E119 IonicContact NZ-OE1 3.85Å; K98-E119 IonicContact NZ-OE2 3.14Å; K98-E119 PolarHBondContact NZ-OE2 3.15Å; K98-E119 VanDerWaalsContact NZ-OE2 3.14Å; K98-E119 PolarHBondContact O-N 3.32Å; T100-E119 HydrophobicContact CG2-CB 4.4Å; E119-G122 WeakPolarHBondContact OE1-CA 3.3Å; E119-G122 PolarHBondContact OE1-N 2.88Å; E119-K123 WeakPolarHBondContact CA-O 3.42Å; E119-H124 IonicContact OE2-NE2 3.78Å
120	E	65.2	Low	59.3	Low	68 Å²	68	60.5 Å²	60.5	32%	0.318	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	120.1	168.4	176.5	175.2	-152.6	0	0	109.2	N96 F97 G122 K123 L125	N96-E120 WeakPolarHBondContact O-CA 3.29Å; F97-E120 HydrophobicContact CD1-CB 3.84Å; F97-E120 HydrophobicContact CD1-CG 3.95Å; F97-E120 HydrophobicContact CE1-CB 3.61Å; F97-E120 HydrophobicContact CE1-CG 3.32Å; F97-E120 WeakPolarHBondContact CE1-OE1 3.36Å; F97-E120 HydrophobicContact CZ-CG 3.92Å; F97-E120 WeakPolarHBondContact CZ-OE1 3.39Å; E120-G122 PolarHBondContact O-N 2.9Å; E120-K123 PolarHBondContact N-O 3.16Å; E120-K123 PolarHBondContact O-N 2.88Å; E120-K123 VanDerWaalsContact O-N 3.09Å; E120-L125 HydrophobicContact CB-CD1 3.83Å; E120-L125 HydrophobicContact CB-CG 4.21Å; E120-L125 WeakPolarHBondContact OE2-CD1 3.34Å
121	N	69.7	Low	59.5	Low	95 Å²	95	57 Å²	57	51%	0.508	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	44.7	177.8	-54.3	-58.9	0	0	0	114.3	N96 K123	N96-N121 WeakPolarHBondContact CB-OD1 3.49Å; N96-N121 VanDerWaalsContact CG-OD1 3.24Å; N96-N121 PolarHBondContact ND2-OD1 3.28Å; N96-N121 PolarHBondContact O-N 3.45Å; N121-K123 PolarHBondContact O-N 3.46Å
122	G	71.7	Confident	59.5	Low	57 Å²	57	56.4 Å²	56.4	59%	0.588	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	6.6	-178.9	0	0	0	0	0	114.5	E119 E120	E119-G122 WeakPolarHBondContact OE1-CA 3.3Å; E119-G122 PolarHBondContact OE1-N 2.88Å; E120-G122 PolarHBondContact O-N 2.9Å
123	K	68.8	Low	59.1	Low	158 Å²	158	55.8 Å²	55.8	69%	0.687	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.5	-179.6	-63.9	-177	-179.1	179.9	0	110.7	E119 E120 N121 L125	E119-K123 WeakPolarHBondContact CA-O 3.42Å; E120-K123 PolarHBondContact N-O 3.16Å; E120-K123 PolarHBondContact O-N 2.88Å; E120-K123 VanDerWaalsContact O-N 3.09Å; N121-K123 PolarHBondContact O-N 3.46Å; K123-L125 PolarHBondContact O-N 3.47Å
124	H	65.1	Low	58.8	Low	51 Å²	51	60.3 Å²	60.3	24%	0.236	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	122	171.1	-63.6	115.9	0	0	0	110.6	T100 E104 S106 E119 A126	T100-H124 PolarHBondContact OG1-CD2 3.06Å; T100-H124 PolarHBondContact OG1-NE2 2.81Å; T100-H124 VanDerWaalsContact OG1-NE2 3.13Å; E104-H124 PolarHBondContact O-CE1 3.03Å; E104-H124 PolarHBondContact O-NE2 2.99Å; S106-H124 PolarHBondContact N-ND1 3.41Å; E119-H124 IonicContact OE2-NE2 3.78Å; H124-A126 PolarHBondContact O-N 3.23Å
125	L	57.2	Low	58.3	Low	56 Å²	56	60.7 Å²	60.7	29%	0.293	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	96.2	173.4	-67.2	180	0	0	0	108.8	F118 E120 K123 T127 H128	F118-L125 HydrophobicContact CD1-CB 4.49Å; F118-L125 HydrophobicContact CD1-CD1 3.87Å; F118-L125 HydrophobicContact CE1-CD1 4.11Å; F118-L125 PolarHBondContact O-N 2.68Å; E120-L125 HydrophobicContact CB-CD1 3.83Å; E120-L125 HydrophobicContact CB-CG 4.21Å; E120-L125 WeakPolarHBondContact OE2-CD1 3.34Å; K123-L125 PolarHBondContact O-N 3.47Å; L125-T127 PolarHBondContact O-N 2.94Å; L125-H128 PolarHBondContact O-N 3.01Å
126	A	47.4	Very low	58.3	Low	61 Å²	61	63.7 Å²	63.7	50%	0.504	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	-15.2	-177.5	0	0	0	0	0	115.3	V109 H124 H128	V109-A126 HydrophobicContact CG2-CB 3.77Å; H124-A126 PolarHBondContact O-N 3.23Å; A126-H128 VanDerWaalsContact C-N 3.34Å
127	T	45.7	Very low	58.1	Low	120 Å²	120	66.5 Å²	66.5	74%	0.736	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	-9.5	178	43.6	0	0	0	0	113.9	L125	L125-T127 PolarHBondContact O-N 2.94Å
128	H	48.4	Very low	58	Low	64 Å²	64	71.6 Å²	71.6	30%	0.296	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	76.7	-172.9	-62.2	60.2	0	0	0	108.6	F118 L125 A126	F118-H128 HydrophobicContact CB-CB 3.76Å; F118-H128 HydrophobicContact CG-CB 4.4Å; F118-H128 PolarHBondContact N-O 3.47Å; L125-H128 PolarHBondContact O-N 3.01Å; A126-H128 VanDerWaalsContact C-N 3.34Å
129	A	47.1	Very low	57.5	Low	37 Å²	37	73.4 Å²	73.4	31%	0.306	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.5	177.4	0	0	0	0	0	108.9	V109 V115 C116 V131	V109-A129 HydrophobicContact CG1-CB 3.69Å; V115-A129 HydrophobicContact CG1-CB 3.63Å; C116-A129 WeakPolarHBondContact O-CA 3.26Å; A129-V131 PolarHBondContact O-N 3.26Å
130	L	53.8	Low	57.2	Low	64 Å²	64	71.9 Å²	71.9	34%	0.335	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	101.9	171.5	-175.8	74	0	0	0	107.9	V115 C116 V132	V115-L130 VanDerWaalsContact CA-O 3.29Å; V115-L130 WeakPolarHBondContact CA-O 3.12Å; C116-L130 HydrophobicContact CB-CB 4.5Å; C116-L130 PolarHBondContact N-O 3.04Å; C116-L130 PolarHBondContact O-N 3.47Å; C116-L130 VanDerWaalsContact O-N 3.16Å; L130-V132 HydrophobicContact CD1-CG2 4.46Å; L130-V132 HydrophobicContact CD2-CG2 4.14Å; L130-V132 HydrophobicContact CG-CG2 3.94Å
131	V	50.8	Low	57	Low	60 Å²	60	71.2 Å²	71.2	36%	0.364	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117.5	173.8	-173.9	0	0	0	0	108.2	S111 V115 A129 E133	S111-V131 VanDerWaalsContact OG-CG1 3.31Å; S111-V131 WeakPolarHBondContact OG-CG1 3.27Å; S111-V131 WeakPolarHBondContact OG-CG2 3.41Å; V115-V131 HydrophobicContact CG2-CB 4.41Å; V115-V131 HydrophobicContact CG2-CG1 4.43Å; V115-V131 HydrophobicContact CG2-CG2 3.91Å; A129-V131 PolarHBondContact O-N 3.26Å; V131-E133 HydrophobicContact CG1-CG 4.21Å
132	V	53.2	Low	56.6	Low	37 Å²	37	71.5 Å²	71.5	22%	0.224	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	105	169.5	-167.8	0	0	0	0	108.6	S114 L130 Q134 I135 M140	S114-V132 PolarHBondContact O-N 2.83Å; L130-V132 HydrophobicContact CD1-CG2 4.46Å; L130-V132 HydrophobicContact CD2-CG2 4.14Å; L130-V132 HydrophobicContact CG-CG2 3.94Å; V132-Q134 PolarHBondContact O-N 3.01Å; V132-I135 HydrophobicContact CB-CB 4.41Å; V132-I135 HydrophobicContact CB-CD1 3.72Å; V132-I135 HydrophobicContact CB-CG1 3.98Å; V132-I135 HydrophobicContact CG1-CB 4.37Å; V132-I135 HydrophobicContact CG1-CD1 3.57Å; V132-I135 HydrophobicContact CG1-CG1 3.56Å; V132-I135 HydrophobicContact CG2-CD1 3.94Å; V132-I135 PolarHBondContact O-N 3.47Å; V132-M140 HydrophobicContact CB-CE 3.86Å; V132-M140 HydrophobicContact CG2-CE 3.84Å
133	E	49.8	Very low	55.8	Low	112 Å²	112	70.8 Å²	70.8	52%	0.523	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-1.3	-173.5	-63.7	-179.3	151.2	0	0	113.9	V131	V131-E133 HydrophobicContact CG1-CG 4.21Å
134	Q	53.7	Low	55.5	Low	121 Å²	121	63.5 Å²	63.5	57%	0.565	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.9	2.3	-172.9	-60.2	-159.4	-34.8	0	0	115.2	S10 V132 P136	S10-Q134 VanDerWaalsContact OG-CD 3.26Å; S10-Q134 PolarHBondContact OG-NE2 3.32Å; S10-Q134 PolarHBondContact OG-OE1 2.97Å; V132-Q134 PolarHBondContact O-N 3.01Å; Q134-P136 WeakPolarHBondContact O-CD 3.35Å
135	I	51.7	Low	55.2	Low	26 Å²	26	65.7 Å²	65.7	13%	0.133	37%	0.374	C	S	.	.	S	Bend	trans	-93.8	119.7	176.7	-64.2	175.2	0	0	0	108.4	M55 S114 V132 S137 L139 M140 L143	M55-I135 HydrophobicContact CE-CD1 3.76Å; S114-I135 PolarHBondContact OG-O 3.45Å; V132-I135 HydrophobicContact CB-CB 4.41Å; V132-I135 HydrophobicContact CB-CD1 3.72Å; V132-I135 HydrophobicContact CB-CG1 3.98Å; V132-I135 HydrophobicContact CG1-CB 4.37Å; V132-I135 HydrophobicContact CG1-CD1 3.57Å; V132-I135 HydrophobicContact CG1-CG1 3.56Å; V132-I135 HydrophobicContact CG2-CD1 3.94Å; V132-I135 PolarHBondContact O-N 3.47Å; I135-S137 PolarHBondContact O-N 3.3Å; I135-L139 HydrophobicContact CG2-CB 3.67Å; I135-M140 HydrophobicContact CD1-CE 4.5Å; I135-M140 HydrophobicContact CG2-CB 4.12Å; I135-L143 HydrophobicContact CD1-CD1 4.15Å
136	P	60.7	Low	55	Low	65 Å²	65	69.1 Å²	69.1	42%	0.422	40%	0.403	S	S	.	.			trans	-48.6	136.2	169	-27.2	34.1	0	0	0	111.2	Q134 H138 L139 M140	Q134-P136 WeakPolarHBondContact O-CD 3.35Å; P136-H138 WeakPolarHBondContact CB-CE1 3.21Å; P136-H138 WeakPolarHBondContact CB-ND1 3.32Å; P136-H138 PolarHBondContact O-N 2.96Å; P136-H138 VanDerWaalsContact O-N 3.09Å; P136-L139 HydrophobicContact CG-CD1 4.31Å; P136-L139 PolarHBondContact O-N 2.8Å; P136-M140 PolarHBondContact O-N 2.99Å
137	S	60.5	Low	55.4	Low	68 Å²	68	69.5 Å²	69.5	48%	0.476	40%	0.398	S	S	.	.	H	α-helix	trans	-52.3	-39.5	-172.1	58.6	0	0	0	0	113.6	S114 I135 L139 M140 D141	S114-S137 WeakPolarHBondContact OG-CA 3.4Å; I135-S137 PolarHBondContact O-N 3.3Å; S137-L139 PolarHBondContact O-N 3.39Å; S137-M140 CarbonylContact O-C 3.52Å; S137-M140 WeakPolarHBondContact O-CA 3.44Å; S137-M140 WeakPolarHBondContact O-CB 3.38Å; S137-M140 PolarHBondContact O-N 3.01Å; S137-M140 VanDerWaalsContact O-N 3.08Å; S137-D141 PolarHBondContact O-N 2.98Å
138	H	66.2	Low	55.9	Low	110 Å²	110	66.8 Å²	66.8	51%	0.509	38%	0.38	S	S	.	.	H	α-helix	trans	-59.9	-39.6	177.9	65.4	-85.9	0	0	0	113.6	P136 M140 D141 D142	P136-H138 WeakPolarHBondContact CB-CE1 3.21Å; P136-H138 WeakPolarHBondContact CB-ND1 3.32Å; P136-H138 PolarHBondContact O-N 2.96Å; P136-H138 VanDerWaalsContact O-N 3.09Å; H138-M140 VanDerWaalsContact C-N 3.35Å; H138-D141 PolarHBondContact O-N 3.29Å; H138-D142 PolarHBondContact O-N 3.38Å
139	L	55.7	Low	56.4	Low	80 Å²	80	67 Å²	67	42%	0.419	39%	0.385	S	S	.	.	H	α-helix	trans	-72.2	-32.4	175.8	-67.4	178	0	0	0	111.4	I135 P136 S137 L143	I135-L139 HydrophobicContact CG2-CB 3.67Å; P136-L139 HydrophobicContact CG-CD1 4.31Å; P136-L139 PolarHBondContact O-N 2.8Å; S137-L139 PolarHBondContact O-N 3.39Å; L139-L143 WeakPolarHBondContact O-CB 3.23Å; L139-L143 WeakPolarHBondContact O-CD1 3.48Å; L139-L143 WeakPolarHBondContact O-CG 3.45Å; L139-L143 PolarHBondContact O-N 3.11Å
140	M	58	Low	56.9	Low	0 Å²	0	68.8 Å²	68.8	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-67.2	-41.1	172.9	-169.9	64.6	101.4	0	0	110.8	S114 V132 I135 P136 S137 H138 D142 L143 C144	S114-M140 WeakPolarHBondContact O-CE 3.29Å; V132-M140 HydrophobicContact CB-CE 3.86Å; V132-M140 HydrophobicContact CG2-CE 3.84Å; I135-M140 HydrophobicContact CD1-CE 4.5Å; I135-M140 HydrophobicContact CG2-CB 4.12Å; P136-M140 PolarHBondContact O-N 2.99Å; S137-M140 CarbonylContact O-C 3.52Å; S137-M140 WeakPolarHBondContact O-CA 3.44Å; S137-M140 WeakPolarHBondContact O-CB 3.38Å; S137-M140 PolarHBondContact O-N 3.01Å; S137-M140 VanDerWaalsContact O-N 3.08Å; H138-M140 VanDerWaalsContact C-N 3.35Å; M140-D142 VanDerWaalsContact C-N 3.33Å; M140-D142 PolarHBondContact O-N 2.84Å; M140-L143 CarbonylContact O-C 3.49Å; M140-L143 WeakPolarHBondContact O-CB 3.41Å; M140-L143 PolarHBondContact O-N 3.3Å; M140-L143 VanDerWaalsContact O-N 3.14Å; M140-L143 HydrophobicContact SD-CD1 4.5Å; M140-C144 PolarHBondContact O-N 3.16Å; M140-C144 PolarHBondContact O-SG 3.32Å
141	D	62.5	Low	57.1	Low	53 Å²	53	69.1 Å²	69.1	28%	0.283	39%	0.393	S	S	.	.	H	α-helix	trans	-62.5	-41	176.8	-63.1	-23.7	0	0	0	111.2	S101 S137 H138 C144 S145	S101-D141 VanDerWaalsContact CB-OD1 3.25Å; S101-D141 WeakPolarHBondContact CB-OD1 3.48Å; S137-D141 PolarHBondContact O-N 2.98Å; H138-D141 PolarHBondContact O-N 3.29Å; D141-C144 PolarHBondContact O-N 3.02Å; D141-S145 VanDerWaalsContact O-CB 3.3Å; D141-S145 WeakPolarHBondContact O-CB 3.21Å; D141-S145 PolarHBondContact O-N 3.47Å; D141-S145 PolarHBondContact O-OG 3.48Å
142	D	61.7	Low	57.5	Low	101 Å²	101	69.7 Å²	69.7	54%	0.54	40%	0.395	S	S	.	.	H	α-helix	trans	-62.2	-41.5	172.3	-70.9	-19.4	0	0	0	111.7	H138 M140 S145 S146	H138-D142 PolarHBondContact O-N 3.38Å; M140-D142 VanDerWaalsContact C-N 3.33Å; M140-D142 PolarHBondContact O-N 2.84Å; D142-S145 PolarHBondContact O-OG 3.19Å; D142-S146 PolarHBondContact O-N 3.32Å
143	L	54.8	Low	57.8	Low	42 Å²	42	72 Å²	72	22%	0.22	41%	0.407	C	S	.	.	H	α-helix	trans	-68.7	-36.1	177.3	-75.2	167.3	0	0	0	113.2	L56 I135 L139 M140 S146	L56-L143 HydrophobicContact CD1-CD2 4.47Å; I135-L143 HydrophobicContact CD1-CD1 4.15Å; L139-L143 WeakPolarHBondContact O-CB 3.23Å; L139-L143 WeakPolarHBondContact O-CD1 3.48Å; L139-L143 WeakPolarHBondContact O-CG 3.45Å; L139-L143 PolarHBondContact O-N 3.11Å; M140-L143 CarbonylContact O-C 3.49Å; M140-L143 WeakPolarHBondContact O-CB 3.41Å; M140-L143 PolarHBondContact O-N 3.3Å; M140-L143 VanDerWaalsContact O-N 3.14Å; M140-L143 HydrophobicContact SD-CD1 4.5Å; L143-S146 PolarHBondContact O-OG 3.15Å
144	C	60.8	Low	58.4	Low	5 Å²	5	68.9 Å²	68.9	3%	0.034	40%	0.398	C	S	.	.	H	α-helix	trans	-79.5	-23.1	-179.7	-49.1	0	0	0	0	112.4	C116 M140 D141	C116-C144 WeakPolarHBondContact CA-SG 3.11Å; C116-C144 HydrophobicContact CB-CB 4.03Å; C116-C144 WeakPolarHBondContact CB-SG 3.37Å; C116-C144 VanDerWaalsContact SG-CA 3.6Å; C116-C144 WeakPolarHBondContact SG-CB 3.35Å; C116-C144 CovalentContact SG-SG 2.03Å; C116-C144 PolarHBondContact SG-SG 3.39Å; M140-C144 PolarHBondContact O-N 3.16Å; M140-C144 PolarHBondContact O-SG 3.32Å; D141-C144 PolarHBondContact O-N 3.02Å
145	S	60.2	Low	58.8	Low	97 Å²	97	64.6 Å²	64.6	68%	0.678	38%	0.384	S	S	*	.	H	α-helix	trans	-90	-9.6	-177.6	57.8	0	0	0	0	114.7	D141 D142	D141-S145 VanDerWaalsContact O-CB 3.3Å; D141-S145 WeakPolarHBondContact O-CB 3.21Å; D141-S145 PolarHBondContact O-N 3.47Å; D141-S145 PolarHBondContact O-OG 3.48Å; D142-S145 PolarHBondContact O-OG 3.19Å
146	S	53.6	Low	59.5	Low	128 Å²	128	68.1 Å²	68.1	90%	0.895	41%	0.407	S	S	*	.			trans	-94.9	0	176.9	77.4	0	0	0	0	113.4	D142 L143	D142-S146 PolarHBondContact O-N 3.32Å; L143-S146 PolarHBondContact O-OG 3.15Å

Retrieved 146 of 146 residues in 95.3 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).