A0A096MGQ9_POEFO Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A096MGQ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 172 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	35.2	Very low	33.8	Very low	234 Å²	234	157.3 Å²	157.3	100%	1.153	87%	0.872	S	S	*	*				0	130.8	0	-74.1	-160	-82.4	0	0	108.1
2	L	32.9	Very low	33.7	Very low	165 Å²	165	157.3 Å²	157.3	86%	0.864	86%	0.86	S	S	*	*			cis	-162.4	132.2	-21.1	-119.7	154.8	0	0	0	102.3
3	R	32.7	Very low	33.8	Very low	240 Å²	240	157.2 Å²	157.2	91%	0.906	86%	0.857	S	S	*	*			trans	-74	145.4	-176.6	-72.4	177.3	172.5	164.3	-3.3	110.6
4	T	34.8	Very low	33.6	Very low	144 Å²	144	158.2 Å²	158.2	88%	0.883	85%	0.849	S	S	*	*			trans	-69.1	140.7	173.5	45.9	0	0	0	0	111.5
5	A	33.4	Very low	33.5	Very low	95 Å²	95	156.1 Å²	156.1	79%	0.785	84%	0.844	S	S	*	*			trans	-134.4	111	166.2	0	0	0	0	0	106.7
6	K	35.3	Very low	33.8	Very low	202 Å²	202	152.4 Å²	152.4	88%	0.878	83%	0.833	S	S	*	*				75.5	108	86.3	-132.6	179.5	-170.4	-178.5	0	112.2
7	D	34.5	Very low	34.3	Very low	157 Å²	157	149.8 Å²	149.8	84%	0.84	83%	0.828	S	S	*	*			trans	-46.8	136.8	169.8	-143.4	-5.1	0	0	0	112.7
8	C	34.7	Very low	34.6	Very low	127 Å²	127	153.8 Å²	153.8	86%	0.858	83%	0.831	S	S	*	*			trans	-148.9	106.3	167.2	-79.3	0	0	0	0	110.6
9	D	32.2	Very low	35	Very low	164 Å²	164	150.7 Å²	150.7	88%	0.877	83%	0.829	S	S	*	*			trans	2.2	138.7	160.2	-92	-40	0	0	0	122.4
10	G	31.4	Very low	35.7	Very low	75 Å²	75	147.4 Å²	147.4	77%	0.773	82%	0.822	S	S	*	*			trans	-73.4	132	176.2	0	0	0	0	0	113.9
11	V	34.9	Very low	36.1	Very low	127 Å²	127	146 Å²	146	77%	0.77	81%	0.812	S	S	*	*			trans	-104.2	103	159.4	178.6	0	0	0	0	107.5	L13	V11-L13 HydrophobicContact CG1-CD1 4.31Å
12	Q	32.6	Very low	36.4	Very low	158 Å²	158	143 Å²	143	74%	0.738	80%	0.795	S	S	*	*			trans	-117.8	92.9	155.7	-120.4	-169.4	29.1	0	0	108.5	K14	Q12-K14 PolarHBondContact O-N 3.03Å; Q12-K14 VanDerWaalsContact O-N 3.08Å
13	L	35	Very low	37	Very low	155 Å²	155	146.7 Å²	146.7	81%	0.812	80%	0.797	S	S	*	*			trans	-52.9	109.5	159.5	-92.2	143.2	0	0	0	108.7	V11	V11-L13 HydrophobicContact CG1-CD1 4.31Å
14	K	30.7	Very low	37.8	Very low	172 Å²	172	139.2 Å²	139.2	75%	0.748	80%	0.795	S	S	*	*			trans	-125	103.5	158.7	-88.6	178	180	162.8	0	108.8	Q12 S16	Q12-K14 PolarHBondContact O-N 3.03Å; Q12-K14 VanDerWaalsContact O-N 3.08Å; K14-S16 PolarHBondContact O-N 3.46Å
15	V	32.3	Very low	38.2	Very low	127 Å²	127	140.3 Å²	140.3	77%	0.77	78%	0.783	S	S	*	*			trans	-35.8	115.9	173	-175.2	0	0	0	0	110.6	S17	V15-S17 PolarHBondContact O-N 3.07Å
16	S	37.6	Very low	38.9	Very low	97 Å²	97	139.9 Å²	139.9	68%	0.678	77%	0.772	S	S	*	*			trans	-67.9	98.7	166	177.9	0	0	0	0	107.6	K14 Y18	K14-S16 PolarHBondContact O-N 3.46Å; S16-Y18 PolarHBondContact O-N 2.92Å; S16-Y18 WeakPolarHBondContact OG-CD2 2.96Å
17	S	43.1	Very low	39.6	Very low	107 Å²	107	135.4 Å²	135.4	75%	0.748	76%	0.764	S	S	*	*			trans	-75.8	74.3	178.9	57.8	0	0	0	0	110.3	V15	V15-S17 PolarHBondContact O-N 3.07Å
18	Y	39.1	Very low	40.2	Very low	222 Å²	222	134.4 Å²	134.4	87%	0.871	75%	0.754	S	S	*	*			trans	-94.6	84.3	157	-84.2	-84	0	0	0	108.1	S16	S16-Y18 PolarHBondContact O-N 2.92Å; S16-Y18 WeakPolarHBondContact OG-CD2 2.96Å
19	A	43.1	Very low	40.9	Very low	96 Å²	96	136 Å²	136	79%	0.793	74%	0.742	S	S	*	*			trans	-86.8	126	165.4	0	0	0	0	0	109.6
20	A	48.1	Very low	41.5	Very low	83 Å²	83	134 Å²	134	69%	0.686	74%	0.738	S	S	*	*			trans	-13.4	147.9	176.8	0	0	0	0	0	121.8
21	L	44.1	Very low	42.5	Very low	118 Å²	118	138.6 Å²	138.6	62%	0.618	74%	0.744	S	S	*	*			trans	-118.3	98.5	159.3	-66.6	178.8	0	0	0	110.8	R25	L21-R25 WeakPolarHBondContact CD2-O 3.33Å
22	H	42.5	Very low	43.1	Very low	172 Å²	172	139 Å²	139	80%	0.796	74%	0.742	S	S	*	*			trans	-102.3	131.9	152.8	-73.1	-77.5	0	0	0	107.8
23	R	45.2	Very low	43.6	Very low	242 Å²	242	139.6 Å²	139.6	91%	0.913	74%	0.744	S	S	*	*	S	Bend	trans	86.7	41.3	170.7	-50	178.3	171.1	165.1	-2.1	118.6	R25	R23-R25 PolarHBondContact O-N 3.37Å
24	G	49.6	Very low	44	Very low	83 Å²	83	141.6 Å²	141.6	86%	0.856	75%	0.747	S	S	*	*	S	Bend	trans	62	16.5	156.3	0	0	0	0	0	116.8
25	R	42.5	Very low	44.3	Very low	167 Å²	167	140.6 Å²	140.6	63%	0.63	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-79.8	130.2	171.5	-170	176.6	-174.8	155.4	-1.1	108.3	L21 R23 E28	L21-R25 WeakPolarHBondContact CD2-O 3.33Å; R23-R25 PolarHBondContact O-N 3.37Å; R25-E28 IonicContact CZ-OE1 3.96Å; R25-E28 IonicContact NE-OE1 3.55Å; R25-E28 PolarHBondContact NE-OE1 3.34Å; R25-E28 VanDerWaalsContact NE-OE1 3.15Å; R25-E28 IonicContact NH2-OE1 2.83Å; R25-E28 PolarHBondContact NH2-OE1 2.76Å
26	P	48.3	Very low	44.5	Very low	87 Å²	87	140 Å²	140	57%	0.565	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-61.8	147.3	174.8	22.7	-29.5	0	0	0	110.5	E28	P26-E28 PolarHBondContact O-N 2.9Å
27	P	50.8	Low	44.8	Very low	108 Å²	108	140.3 Å²	140.3	70%	0.701	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-60.2	129	-178.9	23.9	-32.5	0	0	0	110.5
28	E	47.1	Very low	44.6	Very low	135 Å²	135	144 Å²	144	63%	0.631	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-72.9	145	178.9	-65.2	-174.3	168.4	0	0	110.8	R25 P26	R25-E28 IonicContact CZ-OE1 3.96Å; R25-E28 IonicContact NE-OE1 3.55Å; R25-E28 PolarHBondContact NE-OE1 3.34Å; R25-E28 VanDerWaalsContact NE-OE1 3.15Å; R25-E28 IonicContact NH2-OE1 2.83Å; R25-E28 PolarHBondContact NH2-OE1 2.76Å; P26-E28 PolarHBondContact O-N 2.9Å
29	R	48.9	Very low	44.9	Very low	160 Å²	160	142.1 Å²	142.1	60%	0.604	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-63.3	132.4	176.5	-69.7	178.8	174.8	177	-6	109.8	L31 V60 E64	R29-L31 PolarHBondContact O-N 2.64Å; R29-L31 VanDerWaalsContact O-N 3.09Å; R29-V60 HydrophobicContact CG-CG1 4.38Å; R29-E64 IonicContact CZ-OE1 2.67Å; R29-E64 IonicContact NE-OE1 3.12Å; R29-E64 IonicContact NH2-OE1 3.15Å; R29-E64 PolarHBondContact NH2-OE1 2.63Å; R29-E64 IonicContact NH2-OE2 2.56Å; R29-E64 PolarHBondContact NH2-OE2 2.91Å; R29-E64 VanDerWaalsContact NH2-OE2 3.08Å
30	P	44.8	Very low	44.6	Very low	122 Å²	122	143.5 Å²	143.5	79%	0.792	75%	0.745	S	S	*	*			trans	-64.1	112.3	167.3	-15.4	28.2	0	0	0	109.4	N32	P30-N32 VanDerWaalsContact C-N 3.28Å; P30-N32 PolarHBondContact O-N 3.43Å
31	L	53.4	Low	44.1	Very low	173 Å²	173	147.8 Å²	147.8	91%	0.906	75%	0.749	S	S	*	*	S	Bend	trans	-75.3	77	174.6	-80.5	164.4	0	0	0	110.5	R29	R29-L31 PolarHBondContact O-N 2.64Å; R29-L31 VanDerWaalsContact O-N 3.09Å
32	N	47.4	Very low	44	Very low	135 Å²	135	148.2 Å²	148.2	72%	0.722	76%	0.756	S	S	*	*			trans	166.9	92.6	144.8	-110.6	-31.2	0	0	0	109.7	P30	P30-N32 VanDerWaalsContact C-N 3.28Å; P30-N32 PolarHBondContact O-N 3.43Å
33	Q	42.9	Very low	43.6	Very low	170 Å²	170	147.7 Å²	147.7	79%	0.794	75%	0.753	S	S	*	*			trans	-120.7	100.4	152.8	-81.4	-176.2	-16.9	0	0	107.4	Q35	Q33-Q35 PolarHBondContact O-N 2.96Å; Q33-Q35 VanDerWaalsContact O-N 3.08Å
34	K	42.6	Very low	43.3	Very low	197 Å²	197	147.2 Å²	147.2	86%	0.857	75%	0.752	S	S	*	*			trans	-72.8	22	170.2	-81.2	-170.7	175.2	-177.8	0	112.8
35	Q	37.8	Very low	42.7	Very low	152 Å²	152	147 Å²	147	71%	0.71	75%	0.749	S	S	*	*	S	Bend	trans	-139.2	127.5	173.8	-77.5	178.2	-11.7	0	0	109.5	Q33	Q33-Q35 PolarHBondContact O-N 2.96Å; Q33-Q35 VanDerWaalsContact O-N 3.08Å
36	P	35.4	Very low	42.7	Very low	115 Å²	115	150.3 Å²	150.3	75%	0.747	76%	0.762	S	S	*	*			trans	-65.4	139.6	173.1	27.7	-31.1	0	0	0	109	H38	P36-H38 PolarHBondContact O-N 3.49Å
37	P	43.4	Very low	42.6	Very low	102 Å²	102	151.8 Å²	151.8	66%	0.662	76%	0.761	S	S	*	*			trans	-60.9	136.7	175.7	25.8	-32	0	0	0	108.8	Q39	P37-Q39 PolarHBondContact O-N 3.4Å
38	H	40.8	Very low	42.1	Very low	186 Å²	186	155 Å²	155	86%	0.861	77%	0.772	S	S	*	*			trans	-53.8	101.9	177.6	-73.9	-78.3	0	0	0	110.1	P36 V40	P36-H38 PolarHBondContact O-N 3.49Å; H38-V40 PolarHBondContact O-N 2.82Å
39	Q	44.1	Very low	41.9	Very low	181 Å²	181	153.8 Å²	153.8	85%	0.846	77%	0.773	S	S	*	*			trans	-72.4	106.9	171	-78.3	-177.6	5.5	0	0	108.2	P37 K41	P37-Q39 PolarHBondContact O-N 3.4Å; Q39-K41 PolarHBondContact O-N 2.76Å
40	V	37.3	Very low	41.4	Very low	125 Å²	125	150.1 Å²	150.1	76%	0.758	79%	0.785	S	S	*	*			trans	-81.6	106.3	165.4	-177.4	0	0	0	0	107.6	H38 V42	H38-V40 PolarHBondContact O-N 2.82Å; V40-V42 HydrophobicContact CG1-CG2 4.26Å; V40-V42 PolarHBondContact O-N 2.98Å
41	K	37.1	Very low	41.4	Very low	174 Å²	174	149.2 Å²	149.2	76%	0.757	78%	0.778	S	S	*	*			trans	-79.4	100.2	177.9	-140.4	177.3	-169.8	176.4	0	108.4	Q39	Q39-K41 PolarHBondContact O-N 2.76Å
42	V	42.1	Very low	40.8	Very low	127 Å²	127	148.1 Å²	148.1	77%	0.77	77%	0.768	S	S	*	*			trans	-86.3	120.5	174	-177.2	0	0	0	0	108.9	V40 R44	V40-V42 HydrophobicContact CG1-CG2 4.26Å; V40-V42 PolarHBondContact O-N 2.98Å; V42-R44 PolarHBondContact O-N 3.17Å
43	H	34	Very low	40.7	Very low	160 Å²	160	147.5 Å²	147.5	74%	0.741	77%	0.773	S	S	*	*			trans	-81.7	115.7	179.8	-74.1	-50.8	0	0	0	111.8
44	R	38.3	Very low	40.6	Very low	232 Å²	232	146.5 Å²	146.5	88%	0.875	77%	0.766	S	S	*	*			trans	60.5	101	141.4	-154.3	-177.6	-162.4	-158.9	6	117.7	V42	V42-R44 PolarHBondContact O-N 3.17Å
45	G	37.6	Very low	41.3	Very low	78 Å²	78	143.1 Å²	143.1	80%	0.804	77%	0.767	S	S	*	*			trans	-104.4	131.7	152.5	0	0	0	0	0	109.8
46	R	42.8	Very low	41.9	Very low	238 Å²	238	140.5 Å²	140.5	90%	0.898	77%	0.765	S	S	*	*			trans	-79.1	132.9	-177	-139.4	176.6	-175.4	-179.3	-0.2	109.7
47	E	46.5	Very low	42.6	Very low	117 Å²	117	140.9 Å²	140.9	55%	0.547	76%	0.76	S	S	.	*			trans	-83.6	136.4	-172.9	-161.4	176.6	-176.5	0	0	111.5	T49 G50 V51	E47-T49 WeakPolarHBondContact CG-O 3.47Å; E47-G50 WeakPolarHBondContact OE1-CA 3.14Å; E47-V51 VanDerWaalsContact OE1-C 3.28Å; E47-V51 PolarHBondContact OE1-N 2.98Å; E47-V51 VanDerWaalsContact OE1-O 3.1Å
48	L	40.7	Very low	43	Very low	176 Å²	176	139.4 Å²	139.4	92%	0.921	75%	0.751	S	S	*	*	S	Bend	trans	-121.2	-0.8	169.9	-80.3	174.2	0	0	0	113.5
49	T	42.1	Very low	43.8	Very low	109 Å²	109	134.2 Å²	134.2	67%	0.669	73%	0.734	S	S	*	*	S	Bend	trans	-142.7	117.4	174.9	46.1	0	0	0	0	106.5	E47 V51	E47-T49 WeakPolarHBondContact CG-O 3.47Å; T49-V51 PolarHBondContact O-N 3.1Å
50	G	38.5	Very low	44.6	Very low	83 Å²	83	129.5 Å²	129.5	86%	0.856	72%	0.718	S	S	*	*			trans	-64.5	69.6	-168.5	0	0	0	0	0	114.8	E47	E47-G50 WeakPolarHBondContact OE1-CA 3.14Å
51	V	45.4	Very low	45.9	Very low	104 Å²	104	126.2 Å²	126.2	63%	0.63	70%	0.7	S	S	*	*			trans	-123	109.9	173.9	-178.1	0	0	0	0	106.2	E47 T49 C53	E47-V51 VanDerWaalsContact OE1-C 3.28Å; E47-V51 PolarHBondContact OE1-N 2.98Å; E47-V51 VanDerWaalsContact OE1-O 3.1Å; T49-V51 PolarHBondContact O-N 3.1Å; V51-C53 PolarHBondContact O-N 3.1Å
52	Q	40.2	Very low	47.2	Very low	149 Å²	149	122.1 Å²	122.1	70%	0.696	69%	0.69	S	S	*	*			trans	-53.5	106	177.7	-73	179.5	-7.9	0	0	110.5	F54	Q52-F54 HydrophobicContact CB-CE2 4.05Å; Q52-F54 HydrophobicContact CB-CZ 4.43Å; Q52-F54 PolarHBondContact O-N 2.88Å; Q52-F54 VanDerWaalsContact O-N 3.16Å
53	C	44.4	Very low	48.6	Very low	123 Å²	123	122.7 Å²	122.7	83%	0.831	68%	0.679	S	S	*	*			trans	-73.7	100.6	167.8	-87.2	0	0	0	0	108.9	V51 S55	V51-C53 PolarHBondContact O-N 3.1Å; C53-S55 PolarHBondContact O-N 3.28Å
54	F	41.3	Very low	50.7	Low	149 Å²	149	119.7 Å²	119.7	65%	0.654	67%	0.666	S	S	*	*			trans	-69	114.1	168.7	-71.3	-82.3	0	0	0	109.3	Q52 S56 I57	Q52-F54 HydrophobicContact CB-CE2 4.05Å; Q52-F54 HydrophobicContact CB-CZ 4.43Å; Q52-F54 PolarHBondContact O-N 2.88Å; Q52-F54 VanDerWaalsContact O-N 3.16Å; F54-S56 VanDerWaalsContact C-N 3.26Å; F54-S56 PolarHBondContact O-N 2.8Å; F54-I57 HydrophobicContact CB-CG1 4.44Å
55	S	57.5	Low	52.4	Low	126 Å²	126	115.8 Å²	115.8	88%	0.881	66%	0.657	S	S	*	*	S	Bend	trans	-78.2	6.8	-168.1	53.1	0	0	0	0	115.9	C53	C53-S55 PolarHBondContact O-N 3.28Å
56	S	49.5	Very low	54.6	Low	96 Å²	96	118.7 Å²	118.7	67%	0.671	65%	0.651	S	S	*	*			trans	-171	106.1	166.9	-176.7	0	0	0	0	107.9	F54 C58	F54-S56 VanDerWaalsContact C-N 3.26Å; F54-S56 PolarHBondContact O-N 2.8Å; S56-C58 PolarHBondContact O-N 2.86Å
57	I	50	Low	56.7	Low	124 Å²	124	117.8 Å²	117.8	64%	0.636	65%	0.648	S	S	*	*			trans	-88.7	99.2	171.2	-58.5	171.4	0	0	0	105.9	F54 P59	F54-I57 HydrophobicContact CB-CG1 4.44Å; I57-P59 WeakPolarHBondContact O-CD 3.47Å
58	C	52.4	Low	58.6	Low	70 Å²	70	119.3 Å²	119.3	47%	0.473	66%	0.659	S	S	.	*			trans	-73.7	108.8	159.4	-71.2	0	0	0	0	106.7	S56 V60 S61	S56-C58 PolarHBondContact O-N 2.86Å; C58-V60 PolarHBondContact O-N 2.74Å; C58-S61 PolarHBondContact O-N 3.15Å; C58-S61 VanDerWaalsContact O-N 3.08Å; C58-S61 PolarHBondContact O-OG 2.89Å
59	P	57.1	Low	60.8	Low	78 Å²	78	118.1 Å²	118.1	51%	0.506	65%	0.648	S	S	.	*	H	α-helix	trans	-58.4	-31.2	-172.2	-21.8	32.8	0	0	0	112.2	I57 S61 T62 Y63	I57-P59 WeakPolarHBondContact O-CD 3.47Å; P59-S61 PolarHBondContact O-N 3Å; P59-T62 WeakPolarHBondContact O-CB 3.49Å; P59-T62 PolarHBondContact O-N 2.99Å; P59-Y63 HydrophobicContact CB-CE2 4.06Å; P59-Y63 WeakPolarHBondContact O-CD2 3.42Å; P59-Y63 WeakPolarHBondContact O-CE2 3.3Å; P59-Y63 PolarHBondContact O-N 3.2Å
60	V	61.8	Low	63	Low	82 Å²	82	118.7 Å²	118.7	50%	0.497	64%	0.638	S	S	.	*	H	α-helix	trans	-60	-41	-179.9	-176.2	0	0	0	0	112.2	R29 C58 T62 Y63 E64	R29-V60 HydrophobicContact CG-CG1 4.38Å; C58-V60 PolarHBondContact O-N 2.74Å; V60-T62 VanDerWaalsContact C-N 3.29Å; V60-T62 PolarHBondContact O-N 3.23Å; V60-Y63 PolarHBondContact O-N 3.26Å; V60-E64 PolarHBondContact O-N 3.35Å
61	S	65.5	Low	65.6	Low	55 Å²	55	124.1 Å²	124.1	39%	0.385	63%	0.633	S	S	.	*	H	α-helix	trans	-71.4	-25.8	179.1	61.9	0	0	0	0	113	C58 P59 E64	C58-S61 PolarHBondContact O-N 3.15Å; C58-S61 VanDerWaalsContact O-N 3.08Å; C58-S61 PolarHBondContact O-OG 2.89Å; P59-S61 PolarHBondContact O-N 3Å; S61-E64 VanDerWaalsContact CA-OE1 3.29Å; S61-E64 WeakPolarHBondContact CA-OE1 3.05Å
62	T	64.3	Low	68	Low	89 Å²	89	122.1 Å²	122.1	55%	0.546	62%	0.618	S	S	.	*	H	α-helix	trans	-68.8	-35.6	172.5	-46.6	0	0	0	0	111.5	P59 V60	P59-T62 WeakPolarHBondContact O-CB 3.49Å; P59-T62 PolarHBondContact O-N 2.99Å; V60-T62 VanDerWaalsContact C-N 3.29Å; V60-T62 PolarHBondContact O-N 3.23Å
63	Y	71.5	Confident	70.6	Confident	138 Å²	138	120.9 Å²	120.9	54%	0.541	62%	0.615	S	S	.	*	H	α-helix	trans	-78.2	-20.9	178.5	-64.6	-64.2	0	0	0	114.2	P59 V60 H65 M66	P59-Y63 HydrophobicContact CB-CE2 4.06Å; P59-Y63 WeakPolarHBondContact O-CD2 3.42Å; P59-Y63 WeakPolarHBondContact O-CE2 3.3Å; P59-Y63 PolarHBondContact O-N 3.2Å; V60-Y63 PolarHBondContact O-N 3.26Å; Y63-H65 PolarHBondContact O-N 2.85Å; Y63-H65 VanDerWaalsContact O-N 3.1Å; Y63-M66 HydrophobicContact CD1-CE 4.36Å; Y63-M66 HydrophobicContact CD1-SD 3.83Å; Y63-M66 HydrophobicContact CE1-SD 4.19Å; Y63-M66 WeakPolarHBondContact O-CB 3.35Å; Y63-M66 PolarHBondContact O-N 2.63Å
64	E	76.6	Confident	73.1	Confident	98 Å²	98	116.7 Å²	116.7	46%	0.458	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.2	-25.5	179.1	-80.3	163	-131.1	0	0	113.8	R29 V60 S61	R29-E64 IonicContact CZ-OE1 2.67Å; R29-E64 IonicContact NE-OE1 3.12Å; R29-E64 IonicContact NH2-OE1 3.15Å; R29-E64 PolarHBondContact NH2-OE1 2.63Å; R29-E64 IonicContact NH2-OE2 2.56Å; R29-E64 PolarHBondContact NH2-OE2 2.91Å; R29-E64 VanDerWaalsContact NH2-OE2 3.08Å; V60-E64 PolarHBondContact O-N 3.35Å; S61-E64 VanDerWaalsContact CA-OE1 3.29Å; S61-E64 WeakPolarHBondContact CA-OE1 3.05Å
65	H	74.6	Confident	75.8	Confident	149 Å²	149	111.1 Å²	111.1	69%	0.69	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	4.1	179.5	-55.9	98.3	0	0	0	112.9	Y63 R67	Y63-H65 PolarHBondContact O-N 2.85Å; Y63-H65 VanDerWaalsContact O-N 3.1Å; H65-R67 PolarHBondContact O-N 2.98Å; H65-R67 VanDerWaalsContact O-N 3.17Å
66	M	83.9	Confident	77.8	Confident	140 Å²	140	112.7 Å²	112.7	69%	0.69	57%	0.567	S	S	*	*			trans	-72.9	113.6	-179.8	-154.9	170.8	83.7	0	0	109.3	Y63	Y63-M66 HydrophobicContact CD1-CE 4.36Å; Y63-M66 HydrophobicContact CD1-SD 3.83Å; Y63-M66 HydrophobicContact CE1-SD 4.19Å; Y63-M66 WeakPolarHBondContact O-CB 3.35Å; Y63-M66 PolarHBondContact O-N 2.63Å
67	R	85.9	Confident	80.1	Confident	218 Å²	218	110.6 Å²	110.6	82%	0.823	55%	0.552	S	S	*	*			trans	-123.3	149.9	177.7	-66.3	-179	178.1	-175.6	-0.4	108.9	H65 H69	H65-R67 PolarHBondContact O-N 2.98Å; H65-R67 VanDerWaalsContact O-N 3.17Å; R67-H69 PolarHBondContact O-N 3.1Å
68	L	88.3	Confident	82.4	Confident	150 Å²	150	107 Å²	107	79%	0.785	54%	0.542	S	S	*	.			trans	-57.7	111.2	169.7	178.3	69.6	0	0	0	108.1
69	H	85.5	Confident	84.6	Confident	151 Å²	151	107.2 Å²	107.2	70%	0.699	54%	0.54	S	S	*	.			trans	-77	-44.9	177.2	-177.4	70.9	0	0	0	111.1	R67	R67-H69 PolarHBondContact O-N 3.1Å
70	R	89.4	Confident	86.5	Confident	121 Å²	121	110.1 Å²	110.1	46%	0.457	54%	0.542	S	S	.	.			trans	-158.9	150.5	-175.1	-172.6	175.6	-63.5	-87.9	-5.2	111.9	I72 D107	R70-I72 HydrophobicContact CG-CG1 4.38Å; R70-D107 WeakPolarHBondContact CD-O 3.48Å; R70-D107 VanDerWaalsContact CZ-O 3.25Å; R70-D107 PolarHBondContact NE-O 3.18Å; R70-D107 PolarHBondContact NH1-O 3.44Å
71	R	93.2	Very high	88.3	Confident	197 Å²	197	107 Å²	107	74%	0.743	52%	0.523	S	S	*	.			trans	-103.5	122.7	164.6	-171.6	175.6	-178	-171.4	-3.7	109.2	L73	R71-L73 HydrophobicContact CG-CD2 4.11Å; R71-L73 HydrophobicContact CG-CG 4.38Å
72	I	95.3	Very high	89.8	Confident	62 Å²	62	109.4 Å²	109.4	32%	0.318	53%	0.531	S	S	.	.			trans	-101.8	127.3	175.1	-58.7	176.6	0	0	0	107.7	R70 I91 W103	R70-I72 HydrophobicContact CG-CG1 4.38Å; I72-I91 HydrophobicContact CD1-CD1 4.12Å; I72-W103 HydrophobicContact CD1-CB 4.44Å; I72-W103 HydrophobicContact CG2-CD2 3.62Å; I72-W103 HydrophobicContact CG2-CE3 3.37Å; I72-W103 HydrophobicContact CG2-CG 4.23Å; I72-W103 HydrophobicContact CG2-CH2 4.05Å; I72-W103 HydrophobicContact CG2-CZ2 4.25Å; I72-W103 HydrophobicContact CG2-CZ3 3.6Å
73	L	95.3	Very high	91.4	Very high	122 Å²	122	106 Å²	106	64%	0.639	51%	0.512	S	S	*	.			trans	-118.3	142.3	-179.4	-62.9	177	0	0	0	109.4	R71	R71-L73 HydrophobicContact CG-CD2 4.11Å; R71-L73 HydrophobicContact CG-CG 4.38Å
74	G	96.7	Very high	92.5	Very high	36 Å²	36	105 Å²	105	37%	0.371	51%	0.511	S	S	.	.			trans	149.3	-3.1	166.8	0	0	0	0	0	117	K101	G74-K101 WeakPolarHBondContact O-CE 3.3Å; G74-K101 PolarHBondContact O-NZ 2.9Å
75	H	98.3	Very high	93.2	Very high	32 Å²	32	100.7 Å²	100.7	15%	0.148	49%	0.491	C	S	.	.			trans	-73.8	148.9	156.5	-83	-70.4	0	0	0	109.8	V79 T93 S95 D97 L99	H75-V79 HydrophobicContact CB-CG2 4Å; H75-T93 PolarHBondContact CD2-OG1 2.7Å; H75-T93 PolarHBondContact NE2-OG1 3.21Å; H75-S95 WeakPolarHBondContact CE1-CB 3.43Å; H75-S95 WeakPolarHBondContact ND1-CB 3.41Å; H75-D97 WeakPolarHBondContact CA-OD2 3.42Å; H75-D97 IonicContact CE1-OD1 3.86Å; H75-D97 IonicContact CE1-OD2 3.63Å; H75-D97 IonicContact CG-OD2 3.08Å; H75-D97 VanDerWaalsContact ND1-CG 3.3Å; H75-D97 IonicContact ND1-OD1 3.56Å; H75-D97 PolarHBondContact ND1-OD1 3.47Å; H75-D97 VanDerWaalsContact ND1-OD1 3.08Å; H75-D97 IonicContact ND1-OD2 3.08Å; H75-D97 PolarHBondContact ND1-OD2 3.04Å; H75-L99 PolarHBondContact CE1-O 2.99Å
76	L	98.1	Very high	94	Very high	158 Å²	158	100.7 Å²	100.7	83%	0.827	49%	0.485	S	S	*	.	S	Bend	trans	-95	-7.8	-178.8	-59.5	-178.5	0	0	0	112.9	D97	L76-D97 HydrophobicContact CB-CB 4.25Å; L76-D97 PolarHBondContact N-OD2 3.38Å
77	S	98.3	Very high	94.4	Very high	52 Å²	52	98 Å²	98	36%	0.364	48%	0.476	S	S	.	.	S	Bend	trans	-144	-171.1	175.8	-166.9	0	0	0	0	110.6	S95 D96	S77-S95 PolarHBondContact O-OG 2.95Å; S77-D96 WeakPolarHBondContact CB-OD2 3.37Å; S77-D96 WeakPolarHBondContact OG-CB 3.26Å; S77-D96 PolarHBondContact OG-OD2 2.94Å
78	A	98.3	Very high	94.8	Very high	50 Å²	50	89.1 Å²	89.1	41%	0.413	45%	0.453	S	S	.	.			trans	-57	141.4	-178.6	0	0	0	0	0	111.9	S95 D96	A78-S95 CarbonylContact O-C 3.58Å; A78-S95 WeakPolarHBondContact O-CA 3.35Å; A78-S95 VanDerWaalsContact O-CB 3.24Å; A78-S95 WeakPolarHBondContact O-CB 3.22Å; A78-S95 PolarHBondContact O-OG 3.08Å; A78-D96 HydrophobicContact CB-CB 4.5Å; A78-D96 PolarHBondContact O-N 3.41Å
79	V	98.6	Very high	95.1	Very high	74 Å²	74	87.4 Å²	87.4	45%	0.448	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121.6	171.8	179.1	0	0	0	0	107.4	H75 T93 G94	H75-V79 HydrophobicContact CB-CG2 4Å; V79-T93 HydrophobicContact CG1-CG2 4.29Å; V79-G94 WeakPolarHBondContact CA-O 3.4Å; V79-G94 WeakPolarHBondContact CG1-O 3.39Å
80	Y	98.2	Very high	95.7	Very high	139 Å²	139	82.5 Å²	82.5	55%	0.545	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-33.3	-176.2	-74.6	-59.9	0	0	0	113.2	G94 D96 E120	Y80-G94 PolarHBondContact N-O 2.83Å; Y80-D96 HydrophobicContact CD2-CB 4.34Å; Y80-D96 HydrophobicContact CE2-CB 3.66Å; Y80-E120 HydrophobicContact CD2-CB 4.27Å; Y80-E120 HydrophobicContact CE2-CB 4.05Å; Y80-E120 HydrophobicContact CE2-CG 4.32Å
81	C	98.1	Very high	96.1	Very high	15 Å²	15	77.7 Å²	77.7	10%	0.101	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	150.7	-174.7	56.9	0	0	0	0	111.5	T93 G94	C81-T93 WeakPolarHBondContact O-CA 3.48Å; C81-G94 PolarHBondContact N-O 3.42Å; C81-G94 PolarHBondContact O-N 3.17Å
82	I	98.1	Very high	96.4	Very high	107 Å²	107	68.3 Å²	68.3	55%	0.549	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	140.4	178.8	-175.2	172.6	0	0	0	108.8	F84 I91 F92 T93	I82-F84 HydrophobicContact CD1-CE2 4.39Å; I82-I91 HydrophobicContact CD1-CG2 3.56Å; I82-I91 HydrophobicContact CG1-CG2 3.67Å; I82-F92 CarbonylContact C-O 3.56Å; I82-F92 VanDerWaalsContact CA-O 3.23Å; I82-F92 WeakPolarHBondContact CA-O 3.41Å; I82-F92 WeakPolarHBondContact CG1-O 3.38Å; I82-T93 HydrophobicContact CD1-CG2 4.48Å; I82-T93 HydrophobicContact CG1-CG2 4.21Å
83	A	96.8	Very high	96.5	Very high	18 Å²	18	66 Å²	66	15%	0.149	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	152.9	170.2	0	0	0	0	0	109.8	F92 L124 V126	A83-F92 HydrophobicContact CB-CB 4.36Å; A83-F92 HydrophobicContact CB-CD2 4.17Å; A83-F92 PolarHBondContact N-O 3.25Å; A83-F92 PolarHBondContact O-N 2.78Å; A83-L124 HydrophobicContact CB-CB 4.13Å; A83-V126 HydrophobicContact CB-CG2 4.32Å
84	F	94.7	Very high	96.7	Very high	117 Å²	117	60.1 Å²	60.1	51%	0.513	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	147	168.9	-75.9	-95.9	0	0	0	109.3	I82 I91	I82-F84 HydrophobicContact CD1-CE2 4.39Å; F84-I91 HydrophobicContact CD1-CG1 3.98Å; F84-I91 HydrophobicContact CE1-CD1 4.04Å; F84-I91 HydrophobicContact CE1-CG1 3.56Å; F84-I91 HydrophobicContact CZ-CD1 4.36Å; F84-I91 HydrophobicContact CZ-CG1 4.14Å
85	D	92.7	Very high	96.8	Very high	7 Å²	7	58.4 Å²	58.4	4%	0.037	31%	0.307	C	S	.	.			trans	-68.5	161.7	163.5	102	-21.8	0	0	0	110.3	T87 G88 L89 R90 F92 N130	D85-T87 VanDerWaalsContact CG-OG1 3.23Å; D85-T87 PolarHBondContact O-N 3.11Å; D85-T87 VanDerWaalsContact O-N 3.11Å; D85-T87 WeakPolarHBondContact OD1-CA 3.26Å; D85-T87 WeakPolarHBondContact OD1-CB 3.11Å; D85-T87 PolarHBondContact OD1-N 3.08Å; D85-T87 PolarHBondContact OD1-OG1 3.49Å; D85-T87 PolarHBondContact OD2-OG1 2.86Å; D85-T87 VanDerWaalsContact OD2-OG1 3.1Å; D85-G88 PolarHBondContact O-N 3.37Å; D85-G88 PolarHBondContact OD1-N 3.42Å; D85-L89 PolarHBondContact OD1-N 2.76Å; D85-R90 HydrophobicContact CB-CB 4.01Å; D85-R90 PolarHBondContact N-O 2.56Å; D85-R90 IonicContact OD2-CZ 3.39Å; D85-R90 IonicContact OD2-NE 2.89Å; D85-R90 PolarHBondContact OD2-NE 2.91Å; D85-R90 IonicContact OD2-NH2 2.98Å; D85-R90 PolarHBondContact OD2-NH2 2.88Å; D85-F92 HydrophobicContact CB-CE2 3.54Å; D85-F92 HydrophobicContact CB-CZ 3.55Å; D85-N130 WeakPolarHBondContact CB-OD1 3.25Å; D85-N130 PolarHBondContact OD2-ND2 3.2Å
86	R	90.3	Very high	96.8	Very high	148 Å²	148	59.7 Å²	59.7	56%	0.558	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-14.4	-174.8	-59.8	-62.6	-64.4	-129.3	-4.8	113.8	N130	R86-N130 HydrophobicContact CB-CB 3.97Å; R86-N130 HydrophobicContact CG-CB 3.87Å; R86-N130 PolarHBondContact N-OD1 3.06Å
87	T	92.9	Very high	96.9	Very high	84 Å²	84	53.6 Å²	53.6	52%	0.515	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-14.6	176.3	71.9	0	0	0	0	112.6	D85 L89	D85-T87 VanDerWaalsContact CG-OG1 3.23Å; D85-T87 PolarHBondContact O-N 3.11Å; D85-T87 VanDerWaalsContact O-N 3.11Å; D85-T87 WeakPolarHBondContact OD1-CA 3.26Å; D85-T87 WeakPolarHBondContact OD1-CB 3.11Å; D85-T87 PolarHBondContact OD1-N 3.08Å; D85-T87 PolarHBondContact OD1-OG1 3.49Å; D85-T87 PolarHBondContact OD2-OG1 2.86Å; D85-T87 VanDerWaalsContact OD2-OG1 3.1Å; T87-L89 PolarHBondContact O-N 2.75Å; T87-L89 WeakPolarHBondContact OG1-CB 3.45Å; T87-L89 WeakPolarHBondContact OG1-CG 3.36Å; T87-L89 PolarHBondContact OG1-N 3.26Å
88	G	93.7	Very high	96.9	Very high	32 Å²	32	52.7 Å²	52.7	33%	0.33	28%	0.277	S	S	.	.	S	Bend	trans	73.3	3.5	-172	0	0	0	0	0	114.1	D85 S105	D85-G88 PolarHBondContact O-N 3.37Å; D85-G88 PolarHBondContact OD1-N 3.42Å; G88-S105 VanDerWaalsContact O-CB 3.26Å; G88-S105 WeakPolarHBondContact O-CB 3.4Å; G88-S105 PolarHBondContact O-OG 3.28Å
89	L	95.4	Very high	96.9	Very high	113 Å²	113	51.3 Å²	51.3	59%	0.592	26%	0.262	S	S	*	.	S	Bend	trans	-85.5	-17.8	-177.6	-62.2	178	0	0	0	113	D85 T87 S105	D85-L89 PolarHBondContact OD1-N 2.76Å; T87-L89 PolarHBondContact O-N 2.75Å; T87-L89 WeakPolarHBondContact OG1-CB 3.45Å; T87-L89 WeakPolarHBondContact OG1-CG 3.36Å; T87-L89 PolarHBondContact OG1-N 3.26Å; L89-S105 VanDerWaalsContact C-OG 3.3Å; L89-S105 VanDerWaalsContact CA-OG 3.27Å; L89-S105 WeakPolarHBondContact CA-OG 3.27Å; L89-S105 PolarHBondContact O-N 3.44Å; L89-S105 PolarHBondContact O-OG 3.08Å
90	R	97.1	Very high	96.9	Very high	49 Å²	49	47.9 Å²	47.9	19%	0.185	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.7	178.5	-64.9	176.8	-66.9	174.7	2.5	111.7	D85 F92 I102 W103 L147	D85-R90 HydrophobicContact CB-CB 4.01Å; D85-R90 PolarHBondContact N-O 2.56Å; D85-R90 IonicContact OD2-CZ 3.39Å; D85-R90 IonicContact OD2-NE 2.89Å; D85-R90 PolarHBondContact OD2-NE 2.91Å; D85-R90 IonicContact OD2-NH2 2.98Å; D85-R90 PolarHBondContact OD2-NH2 2.88Å; R90-F92 HydrophobicContact CB-CE1 4.1Å; R90-F92 HydrophobicContact CB-CZ 4.18Å; R90-I102 HydrophobicContact CB-CG2 4.22Å; R90-I102 HydrophobicContact CG-CG2 4.33Å; R90-W103 CarbonylContact C-O 3.59Å; R90-W103 VanDerWaalsContact CA-O 3.25Å; R90-W103 WeakPolarHBondContact CA-O 3.36Å; R90-L147 PolarHBondContact NH1-O 3.04Å
91	I	98.1	Very high	96.9	Very high	19 Å²	19	42.2 Å²	42.2	10%	0.097	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132	173.3	-56.5	171.7	0	0	0	107.4	I72 I82 F84 T93 I102 W103	I72-I91 HydrophobicContact CD1-CD1 4.12Å; I82-I91 HydrophobicContact CD1-CG2 3.56Å; I82-I91 HydrophobicContact CG1-CG2 3.67Å; F84-I91 HydrophobicContact CD1-CG1 3.98Å; F84-I91 HydrophobicContact CE1-CD1 4.04Å; F84-I91 HydrophobicContact CE1-CG1 3.56Å; F84-I91 HydrophobicContact CZ-CD1 4.36Å; F84-I91 HydrophobicContact CZ-CG1 4.14Å; I91-T93 HydrophobicContact CG2-CG2 4.06Å; I91-I102 CarbonylContact O-C 3.53Å; I91-I102 WeakPolarHBondContact O-CA 3.27Å; I91-W103 HydrophobicContact CB-CB 4.29Å; I91-W103 PolarHBondContact N-O 2.62Å; I91-W103 PolarHBondContact O-N 3.23Å
92	F	98.6	Very high	97	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.8	173.4	-48.3	-57.1	0	0	0	108.8	I82 A83 D85 R90 K101 I102 L124 V126 I133 L147	I82-F92 CarbonylContact C-O 3.56Å; I82-F92 VanDerWaalsContact CA-O 3.23Å; I82-F92 WeakPolarHBondContact CA-O 3.41Å; I82-F92 WeakPolarHBondContact CG1-O 3.38Å; A83-F92 HydrophobicContact CB-CB 4.36Å; A83-F92 HydrophobicContact CB-CD2 4.17Å; A83-F92 PolarHBondContact N-O 3.25Å; A83-F92 PolarHBondContact O-N 2.78Å; D85-F92 HydrophobicContact CB-CE2 3.54Å; D85-F92 HydrophobicContact CB-CZ 3.55Å; R90-F92 HydrophobicContact CB-CE1 4.1Å; R90-F92 HydrophobicContact CB-CZ 4.18Å; F92-K101 CarbonylContact C-O 3.55Å; F92-K101 WeakPolarHBondContact CA-O 3.38Å; F92-I102 HydrophobicContact CD1-CB 4.19Å; F92-I102 HydrophobicContact CD1-CD1 4.25Å; F92-I102 HydrophobicContact CD1-CG1 3.83Å; F92-I102 HydrophobicContact CD1-CG2 3.84Å; F92-I102 HydrophobicContact CE1-CB 4.37Å; F92-I102 HydrophobicContact CE1-CD1 4.04Å; F92-I102 HydrophobicContact CE1-CG1 4.08Å; F92-I102 HydrophobicContact CE1-CG2 3.64Å; F92-L124 HydrophobicContact CB-CD1 3.88Å; F92-V126 HydrophobicContact CD2-CG2 3.58Å; F92-V126 HydrophobicContact CE2-CG2 3.47Å; F92-V126 VanDerWaalsContact CE2-CG2 3.47Å; F92-I133 HydrophobicContact CB-CD1 3.62Å; F92-I133 HydrophobicContact CD1-CD1 3.93Å; F92-I133 HydrophobicContact CD2-CD1 3.67Å; F92-I133 HydrophobicContact CE2-CD1 4.28Å; F92-I133 HydrophobicContact CG-CD1 3.45Å; F92-I133 VanDerWaalsContact CG-CD1 3.45Å; F92-L147 HydrophobicContact CD1-CD2 4.47Å; F92-L147 HydrophobicContact CE1-CD2 3.53Å; F92-L147 HydrophobicContact CE2-CD1 4.44Å; F92-L147 HydrophobicContact CE2-CD2 4.33Å; F92-L147 HydrophobicContact CZ-CD1 3.99Å; F92-L147 HydrophobicContact CZ-CD2 3.44Å; F92-L147 VanDerWaalsContact CZ-CD2 3.44Å; F92-L147 HydrophobicContact CZ-CG 4.38Å
93	T	98.8	Very high	97	Very high	13 Å²	13	36.9 Å²	36.9	8%	0.08	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.9	178.8	55.9	0	0	0	0	110.4	H75 V79 C81 I82 I91 V100 K101 W103	H75-T93 PolarHBondContact CD2-OG1 2.7Å; H75-T93 PolarHBondContact NE2-OG1 3.21Å; V79-T93 HydrophobicContact CG1-CG2 4.29Å; C81-T93 WeakPolarHBondContact O-CA 3.48Å; I82-T93 HydrophobicContact CD1-CG2 4.48Å; I82-T93 HydrophobicContact CG1-CG2 4.21Å; I91-T93 HydrophobicContact CG2-CG2 4.06Å; T93-V100 CarbonylContact O-C 3.59Å; T93-V100 VanDerWaalsContact O-CA 3.24Å; T93-V100 WeakPolarHBondContact O-CA 3.23Å; T93-K101 PolarHBondContact N-O 3.16Å; T93-K101 PolarHBondContact O-N 3.08Å; T93-W103 PolarHBondContact OG1-NE1 2.91Å
94	G	98.8	Very high	97	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	139.3	173.4	0	0	0	0	0	110.7	V79 Y80 C81	V79-G94 WeakPolarHBondContact CA-O 3.4Å; V79-G94 WeakPolarHBondContact CG1-O 3.39Å; Y80-G94 PolarHBondContact N-O 2.83Å; C81-G94 PolarHBondContact N-O 3.42Å; C81-G94 PolarHBondContact O-N 3.17Å
95	S	98.9	Very high	97	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	161.5	-171.1	175.6	0	0	0	0	113.1	H75 S77 A78 D97 C98 L99 I121	H75-S95 WeakPolarHBondContact CE1-CB 3.43Å; H75-S95 WeakPolarHBondContact ND1-CB 3.41Å; S77-S95 PolarHBondContact O-OG 2.95Å; A78-S95 CarbonylContact O-C 3.58Å; A78-S95 WeakPolarHBondContact O-CA 3.35Å; A78-S95 VanDerWaalsContact O-CB 3.24Å; A78-S95 WeakPolarHBondContact O-CB 3.22Å; A78-S95 PolarHBondContact O-OG 3.08Å; S95-D97 VanDerWaalsContact CB-OD1 3.26Å; S95-D97 WeakPolarHBondContact CB-OD1 3.13Å; S95-D97 PolarHBondContact O-N 3.28Å; S95-D97 PolarHBondContact OG-N 3.29Å; S95-D97 PolarHBondContact OG-OD1 3.08Å; S95-C98 PolarHBondContact O-N 2.81Å; S95-L99 PolarHBondContact N-O 2.99Å; S95-I121 PolarHBondContact O-N 2.96Å
96	D	98.8	Very high	97	Very high	59 Å²	59	39.9 Å²	39.9	32%	0.316	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-22	165.7	-174.8	57.9	0	0	0	113.8	S77 A78 Y80 C98 E120	S77-D96 WeakPolarHBondContact CB-OD2 3.37Å; S77-D96 WeakPolarHBondContact OG-CB 3.26Å; S77-D96 PolarHBondContact OG-OD2 2.94Å; A78-D96 HydrophobicContact CB-CB 4.5Å; A78-D96 PolarHBondContact O-N 3.41Å; Y80-D96 HydrophobicContact CD2-CB 4.34Å; Y80-D96 HydrophobicContact CE2-CB 3.66Å; D96-C98 PolarHBondContact O-N 2.89Å; D96-E120 HydrophobicContact CB-CB 4.36Å
97	D	98.7	Very high	97.2	Very high	30 Å²	30	35.6 Å²	35.6	16%	0.16	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	9.6	172.3	70.8	11.6	0	0	0	114.3	H75 L76 S95 L99	H75-D97 WeakPolarHBondContact CA-OD2 3.42Å; H75-D97 IonicContact CE1-OD1 3.86Å; H75-D97 IonicContact CE1-OD2 3.63Å; H75-D97 IonicContact CG-OD2 3.08Å; H75-D97 VanDerWaalsContact ND1-CG 3.3Å; H75-D97 IonicContact ND1-OD1 3.56Å; H75-D97 PolarHBondContact ND1-OD1 3.47Å; H75-D97 VanDerWaalsContact ND1-OD1 3.08Å; H75-D97 IonicContact ND1-OD2 3.08Å; H75-D97 PolarHBondContact ND1-OD2 3.04Å; L76-D97 HydrophobicContact CB-CB 4.25Å; L76-D97 PolarHBondContact N-OD2 3.38Å; S95-D97 VanDerWaalsContact CB-OD1 3.26Å; S95-D97 WeakPolarHBondContact CB-OD1 3.13Å; S95-D97 PolarHBondContact O-N 3.28Å; S95-D97 PolarHBondContact OG-N 3.29Å; S95-D97 PolarHBondContact OG-OD1 3.08Å; D97-L99 WeakPolarHBondContact O-CG 3.47Å; D97-L99 PolarHBondContact O-N 3.22Å; D97-L99 VanDerWaalsContact OD1-CB 3.22Å; D97-L99 WeakPolarHBondContact OD1-CB 3.24Å; D97-L99 PolarHBondContact OD1-N 3.11Å; D97-L99 VanDerWaalsContact OD1-N 3.11Å
98	C	98.8	Very high	97.4	Very high	33 Å²	33	32.2 Å²	32.2	22%	0.223	18%	0.184	C	C	.	.	S	Bend	trans	65.6	15.6	179.4	-49.2	0	0	0	0	114	S95 D96 A119	S95-C98 PolarHBondContact O-N 2.81Å; D96-C98 PolarHBondContact O-N 2.89Å; C98-A119 WeakPolarHBondContact CA-O 3.37Å; C98-A119 WeakPolarHBondContact CB-O 3.29Å; C98-A119 WeakPolarHBondContact SG-CA 3.35Å; C98-A119 PolarHBondContact SG-O 2.83Å
99	L	98.8	Very high	97.5	Very high	21 Å²	21	39.2 Å²	39.2	11%	0.11	20%	0.2	C	C	.	.			trans	-111.2	146.7	-178.3	-54.1	173.2	0	0	0	111.7	H75 S95 D97 T113 R115 I121	H75-L99 PolarHBondContact CE1-O 2.99Å; S95-L99 PolarHBondContact N-O 2.99Å; D97-L99 WeakPolarHBondContact O-CG 3.47Å; D97-L99 PolarHBondContact O-N 3.22Å; D97-L99 VanDerWaalsContact OD1-CB 3.22Å; D97-L99 WeakPolarHBondContact OD1-CB 3.24Å; D97-L99 PolarHBondContact OD1-N 3.11Å; D97-L99 VanDerWaalsContact OD1-N 3.11Å; L99-T113 HydrophobicContact CB-CG2 4.15Å; L99-T113 HydrophobicContact CD1-CG2 3.83Å; L99-T113 HydrophobicContact CD2-CG2 3.91Å; L99-T113 HydrophobicContact CG-CG2 4.18Å; L99-R115 HydrophobicContact CD2-CG 3.83Å; L99-I121 WeakPolarHBondContact O-CG1 3.15Å
100	V	98.9	Very high	97.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.9	158.1	-178.4	0	0	0	0	108.1	T93 T113 L114 I121 L124 I133 A135 W145	T93-V100 CarbonylContact O-C 3.59Å; T93-V100 VanDerWaalsContact O-CA 3.24Å; T93-V100 WeakPolarHBondContact O-CA 3.23Å; V100-T113 CarbonylContact O-C 3.58Å; V100-L114 HydrophobicContact CB-CB 4.1Å; V100-L114 HydrophobicContact CB-CD1 4.21Å; V100-L114 HydrophobicContact CB-CG 4.35Å; V100-L114 HydrophobicContact CG1-CD1 4Å; V100-L114 HydrophobicContact CG1-CG 4.47Å; V100-L114 PolarHBondContact N-O 3.27Å; V100-L114 PolarHBondContact O-N 2.89Å; V100-I121 HydrophobicContact CG2-CD1 4.08Å; V100-I121 HydrophobicContact CG2-CG1 3.93Å; V100-I121 HydrophobicContact CG2-CG2 4.11Å; V100-L124 HydrophobicContact CG1-CD1 4.36Å; V100-L124 HydrophobicContact CG1-CD2 3.89Å; V100-L124 HydrophobicContact CG2-CD2 3.82Å; V100-I133 HydrophobicContact CG1-CD1 4.47Å; V100-A135 HydrophobicContact CG2-CB 3.71Å; V100-W145 HydrophobicContact CG2-CH2 4.45Å
101	K	98.8	Very high	97.7	Very high	20 Å²	20	40.9 Å²	40.9	9%	0.087	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142	176.2	-69.6	-176.2	-179.2	-133.6	0	111.1	G74 F92 T93 W103 L110 T113	G74-K101 WeakPolarHBondContact O-CE 3.3Å; G74-K101 PolarHBondContact O-NZ 2.9Å; F92-K101 CarbonylContact C-O 3.55Å; F92-K101 WeakPolarHBondContact CA-O 3.38Å; T93-K101 PolarHBondContact N-O 3.16Å; T93-K101 PolarHBondContact O-N 3.08Å; K101-W103 HydrophobicContact CB-CZ2 3.63Å; K101-W103 HydrophobicContact CD-CH2 3.85Å; K101-W103 HydrophobicContact CD-CZ2 3.41Å; K101-W103 VanDerWaalsContact CD-CZ2 3.41Å; K101-W103 HydrophobicContact CG-CZ2 4.14Å; K101-L110 HydrophobicContact CB-CD1 3.79Å; K101-L110 HydrophobicContact CD-CD1 3.96Å; K101-L110 HydrophobicContact CG-CD1 3.99Å; K101-T113 HydrophobicContact CG-CG2 4.35Å
102	I	98.6	Very high	97.7	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.9	176.2	-48.8	-171.9	0	0	0	107.9	R90 I91 F92 H111 S112 L114 L147	R90-I102 HydrophobicContact CB-CG2 4.22Å; R90-I102 HydrophobicContact CG-CG2 4.33Å; I91-I102 CarbonylContact O-C 3.53Å; I91-I102 WeakPolarHBondContact O-CA 3.27Å; F92-I102 HydrophobicContact CD1-CB 4.19Å; F92-I102 HydrophobicContact CD1-CD1 4.25Å; F92-I102 HydrophobicContact CD1-CG1 3.83Å; F92-I102 HydrophobicContact CD1-CG2 3.84Å; F92-I102 HydrophobicContact CE1-CB 4.37Å; F92-I102 HydrophobicContact CE1-CD1 4.04Å; F92-I102 HydrophobicContact CE1-CG1 4.08Å; F92-I102 HydrophobicContact CE1-CG2 3.64Å; I102-H111 HydrophobicContact CB-CB 4.34Å; I102-H111 HydrophobicContact CG2-CB 4.16Å; I102-H111 WeakPolarHBondContact O-CA 3.24Å; I102-H111 WeakPolarHBondContact O-CB 3.21Å; I102-H111 PolarHBondContact O-N 2.93Å; I102-S112 PolarHBondContact N-O 2.78Å; I102-S112 PolarHBondContact O-N 3.09Å; I102-L114 HydrophobicContact CD1-CD1 4.24Å; I102-L114 HydrophobicContact CD1-CD2 4.14Å; I102-L114 HydrophobicContact CD1-CG 4.36Å; I102-L114 HydrophobicContact CG1-CD1 4.46Å; I102-L114 HydrophobicContact CG1-CG 4.42Å; I102-L147 HydrophobicContact CD1-CD2 4.32Å
103	W	98.4	Very high	97.7	Very high	10 Å²	10	43.3 Å²	43.3	4%	0.038	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.9	-179.6	-43.6	86.8	0	0	0	110.3	I72 R90 I91 T93 K101 R109 L110	I72-W103 HydrophobicContact CD1-CB 4.44Å; I72-W103 HydrophobicContact CG2-CD2 3.62Å; I72-W103 HydrophobicContact CG2-CE3 3.37Å; I72-W103 HydrophobicContact CG2-CG 4.23Å; I72-W103 HydrophobicContact CG2-CH2 4.05Å; I72-W103 HydrophobicContact CG2-CZ2 4.25Å; I72-W103 HydrophobicContact CG2-CZ3 3.6Å; R90-W103 CarbonylContact C-O 3.59Å; R90-W103 VanDerWaalsContact CA-O 3.25Å; R90-W103 WeakPolarHBondContact CA-O 3.36Å; I91-W103 HydrophobicContact CB-CB 4.29Å; I91-W103 PolarHBondContact N-O 2.62Å; I91-W103 PolarHBondContact O-N 3.23Å; T93-W103 PolarHBondContact OG1-NE1 2.91Å; K101-W103 HydrophobicContact CB-CZ2 3.63Å; K101-W103 HydrophobicContact CD-CH2 3.85Å; K101-W103 HydrophobicContact CD-CZ2 3.41Å; K101-W103 VanDerWaalsContact CD-CZ2 3.41Å; K101-W103 HydrophobicContact CG-CZ2 4.14Å; W103-R109 CarbonylContact C-O 3.58Å; W103-R109 VanDerWaalsContact CA-O 3.3Å; W103-R109 WeakPolarHBondContact CA-O 3.4Å; W103-L110 HydrophobicContact CD2-CD1 4.04Å; W103-L110 HydrophobicContact CE3-CB 3.79Å; W103-L110 HydrophobicContact CE3-CD1 3.85Å; W103-L110 HydrophobicContact CE3-CG 4.44Å; W103-L110 HydrophobicContact CH2-CB 4.43Å; W103-L110 HydrophobicContact CH2-CD1 3.87Å; W103-L110 HydrophobicContact CZ2-CD1 4.05Å; W103-L110 HydrophobicContact CZ3-CB 3.62Å; W103-L110 HydrophobicContact CZ3-CD1 3.77Å; W103-L110 HydrophobicContact CZ3-CG 4.22Å
104	S	97.1	Very high	97.7	Very high	32 Å²	32	42.9 Å²	42.9	22%	0.224	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	128	164.2	156.4	0	0	0	0	109.2	L106 D107 G108 R109	S104-L106 VanDerWaalsContact C-N 3.26Å; S104-L106 PolarHBondContact O-N 2.67Å; S104-L106 PolarHBondContact OG-N 3.15Å; S104-D107 WeakPolarHBondContact CB-OD1 3.48Å; S104-D107 PolarHBondContact OG-N 2.97Å; S104-D107 PolarHBondContact OG-OD1 3.3Å; S104-G108 WeakPolarHBondContact O-CA 3.37Å; S104-G108 PolarHBondContact O-N 3.18Å; S104-R109 PolarHBondContact N-O 2.65Å
105	S	94.8	Very high	97.7	Very high	34 Å²	34	51.3 Å²	51.3	24%	0.238	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-23.5	176.8	64.8	0	0	0	0	112.5	G88 L89	G88-S105 VanDerWaalsContact O-CB 3.26Å; G88-S105 WeakPolarHBondContact O-CB 3.4Å; G88-S105 PolarHBondContact O-OG 3.28Å; L89-S105 VanDerWaalsContact C-OG 3.3Å; L89-S105 VanDerWaalsContact CA-OG 3.27Å; L89-S105 WeakPolarHBondContact CA-OG 3.27Å; L89-S105 PolarHBondContact O-N 3.44Å; L89-S105 PolarHBondContact O-OG 3.08Å
106	L	93.4	Very high	97.7	Very high	138 Å²	138	52.8 Å²	52.8	72%	0.723	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-48.3	-176.5	-177.2	64.6	0	0	0	112.1	S104	S104-L106 VanDerWaalsContact C-N 3.26Å; S104-L106 PolarHBondContact O-N 2.67Å; S104-L106 PolarHBondContact OG-N 3.15Å
107	D	94.3	Very high	97.7	Very high	59 Å²	59	50.7 Å²	50.7	32%	0.316	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-7	-173.3	66	-0.9	0	0	0	113.8	R70 S104 R109	R70-D107 WeakPolarHBondContact CD-O 3.48Å; R70-D107 VanDerWaalsContact CZ-O 3.25Å; R70-D107 PolarHBondContact NE-O 3.18Å; R70-D107 PolarHBondContact NH1-O 3.44Å; S104-D107 WeakPolarHBondContact CB-OD1 3.48Å; S104-D107 PolarHBondContact OG-N 2.97Å; S104-D107 PolarHBondContact OG-OD1 3.3Å; D107-R109 VanDerWaalsContact C-N 3.26Å; D107-R109 HydrophobicContact CB-CG 4.36Å; D107-R109 VanDerWaalsContact CG-CG 3.49Å; D107-R109 PolarHBondContact O-N 3.02Å; D107-R109 WeakPolarHBondContact OD1-CB 3.43Å; D107-R109 PolarHBondContact OD1-N 2.94Å; D107-R109 VanDerWaalsContact OD1-N 3.07Å; D107-R109 WeakPolarHBondContact OD2-CD 3.46Å; D107-R109 WeakPolarHBondContact OD2-CG 3.43Å
108	G	95.8	Very high	97.7	Very high	13 Å²	13	54.1 Å²	54.1	13%	0.134	29%	0.285	C	S	.	.			trans	73.5	13.2	-179.3	0	0	0	0	0	114.2	S104	S104-G108 WeakPolarHBondContact O-CA 3.37Å; S104-G108 PolarHBondContact O-N 3.18Å
109	R	97.5	Very high	97.7	Very high	179 Å²	179	53.4 Å²	53.4	68%	0.675	28%	0.281	S	S	*	.			trans	-75.7	143.3	-180	-66.3	-179	90.3	156.8	4.6	111.2	W103 S104 D107 H111	W103-R109 CarbonylContact C-O 3.58Å; W103-R109 VanDerWaalsContact CA-O 3.3Å; W103-R109 WeakPolarHBondContact CA-O 3.4Å; S104-R109 PolarHBondContact N-O 2.65Å; D107-R109 VanDerWaalsContact C-N 3.26Å; D107-R109 HydrophobicContact CB-CG 4.36Å; D107-R109 VanDerWaalsContact CG-CG 3.49Å; D107-R109 PolarHBondContact O-N 3.02Å; D107-R109 WeakPolarHBondContact OD1-CB 3.43Å; D107-R109 PolarHBondContact OD1-N 2.94Å; D107-R109 VanDerWaalsContact OD1-N 3.07Å; D107-R109 WeakPolarHBondContact OD2-CD 3.46Å; D107-R109 WeakPolarHBondContact OD2-CG 3.43Å; R109-H111 PolarHBondContact O-N 3.34Å
110	L	98.4	Very high	97.7	Very high	80 Å²	80	55.2 Å²	55.2	42%	0.419	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	119.8	172.3	-176.2	65	0	0	0	109.2	K101 W103 S112	K101-L110 HydrophobicContact CB-CD1 3.79Å; K101-L110 HydrophobicContact CD-CD1 3.96Å; K101-L110 HydrophobicContact CG-CD1 3.99Å; W103-L110 HydrophobicContact CD2-CD1 4.04Å; W103-L110 HydrophobicContact CE3-CB 3.79Å; W103-L110 HydrophobicContact CE3-CD1 3.85Å; W103-L110 HydrophobicContact CE3-CG 4.44Å; W103-L110 HydrophobicContact CH2-CB 4.43Å; W103-L110 HydrophobicContact CH2-CD1 3.87Å; W103-L110 HydrophobicContact CZ2-CD1 4.05Å; W103-L110 HydrophobicContact CZ3-CB 3.62Å; W103-L110 HydrophobicContact CZ3-CD1 3.77Å; W103-L110 HydrophobicContact CZ3-CG 4.22Å; L110-S112 WeakPolarHBondContact CD1-O 3.48Å
111	H	97.7	Very high	97.7	Very high	117 Å²	117	55.2 Å²	55.2	54%	0.542	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-52.6	173.8	-179.8	-78.5	0	0	0	110.8	I102 R109	I102-H111 HydrophobicContact CB-CB 4.34Å; I102-H111 HydrophobicContact CG2-CB 4.16Å; I102-H111 WeakPolarHBondContact O-CA 3.24Å; I102-H111 WeakPolarHBondContact O-CB 3.21Å; I102-H111 PolarHBondContact O-N 2.93Å; R109-H111 PolarHBondContact O-N 3.34Å
112	S	98.5	Very high	97.7	Very high	23 Å²	23	56 Å²	56	16%	0.161	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	155.7	-177	-61.9	0	0	0	0	112.1	I102 L110 C150	I102-S112 PolarHBondContact N-O 2.78Å; I102-S112 PolarHBondContact O-N 3.09Å; L110-S112 WeakPolarHBondContact CD1-O 3.48Å; S112-C150 PolarHBondContact OG-SG 3.17Å
113	T	98.8	Very high	97.7	Very high	46 Å²	46	57.8 Å²	57.8	28%	0.282	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	115.9	167.3	-61.9	0	0	0	0	108.5	L99 V100 K101 R115	L99-T113 HydrophobicContact CB-CG2 4.15Å; L99-T113 HydrophobicContact CD1-CG2 3.83Å; L99-T113 HydrophobicContact CD2-CG2 3.91Å; L99-T113 HydrophobicContact CG-CG2 4.18Å; V100-T113 CarbonylContact O-C 3.58Å; K101-T113 HydrophobicContact CG-CG2 4.35Å; T113-R115 HydrophobicContact CG2-CG 4.25Å
114	L	98.8	Very high	97.7	Very high	5 Å²	5	58 Å²	58	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.5	176.6	-40.3	178.6	0	0	0	108.4	V100 I102 I133 W145 C150	V100-L114 HydrophobicContact CB-CB 4.1Å; V100-L114 HydrophobicContact CB-CD1 4.21Å; V100-L114 HydrophobicContact CB-CG 4.35Å; V100-L114 HydrophobicContact CG1-CD1 4Å; V100-L114 HydrophobicContact CG1-CG 4.47Å; V100-L114 PolarHBondContact N-O 3.27Å; V100-L114 PolarHBondContact O-N 2.89Å; I102-L114 HydrophobicContact CD1-CD1 4.24Å; I102-L114 HydrophobicContact CD1-CD2 4.14Å; I102-L114 HydrophobicContact CD1-CG 4.36Å; I102-L114 HydrophobicContact CG1-CD1 4.46Å; I102-L114 HydrophobicContact CG1-CG 4.42Å; L114-I133 HydrophobicContact CD1-CG2 3.96Å; L114-W145 HydrophobicContact CB-CD2 4.12Å; L114-W145 HydrophobicContact CB-CG 4.39Å; L114-W145 HydrophobicContact CB-CZ2 4.05Å; L114-W145 HydrophobicContact CD1-CB 4.12Å; L114-W145 HydrophobicContact CD1-CD2 3.83Å; L114-W145 HydrophobicContact CD1-CE3 4Å; L114-W145 HydrophobicContact CD1-CG 3.9Å; L114-W145 HydrophobicContact CD2-CG 4.44Å; L114-W145 HydrophobicContact CG-CG 4.48Å; L114-C150 HydrophobicContact CD2-CB 3.71Å
115	R	98.6	Very high	97.7	Very high	176 Å²	176	56.9 Å²	56.9	66%	0.664	30%	0.3	S	S	*	.			trans	-109.5	160.9	-175	-66.5	-179	178	-88.4	2	111.2	L99 T113	L99-R115 HydrophobicContact CD2-CG 3.83Å; T113-R115 HydrophobicContact CG2-CG 4.25Å
116	G	98.3	Very high	97.8	Very high	32 Å²	32	56.5 Å²	56.5	33%	0.33	30%	0.296	S	S	.	.			trans	133.4	-17.6	159.9	0	0	0	0	0	114.7	R143	G116-R143 VanDerWaalsContact CA-CZ 3.46Å; G116-R143 PolarHBondContact O-NE 3.43Å; G116-R143 VanDerWaalsContact O-NE 3.17Å; G116-R143 PolarHBondContact O-NH2 2.95Å
117	H	98.7	Very high	97.8	Very high	14 Å²	14	51.2 Å²	51.2	7%	0.065	27%	0.268	C	S	.	.			trans	-65.9	146.8	167.9	-76.3	-68.6	0	0	0	110.5	I121 A135 S137 D139 T141 W145	H117-I121 HydrophobicContact CB-CD1 3.67Å; H117-I121 WeakPolarHBondContact CD2-CD1 3.49Å; H117-A135 PolarHBondContact NE2-O 3.33Å; H117-S137 WeakPolarHBondContact ND1-CB 3.19Å; H117-D139 WeakPolarHBondContact CA-OD2 3.42Å; H117-D139 WeakPolarHBondContact CB-OD2 3.48Å; H117-D139 IonicContact CE1-OD1 3.8Å; H117-D139 IonicContact CE1-OD2 3.93Å; H117-D139 IonicContact CG-OD2 3.42Å; H117-D139 VanDerWaalsContact ND1-CG 3.32Å; H117-D139 IonicContact ND1-OD1 3.21Å; H117-D139 PolarHBondContact ND1-OD1 2.9Å; H117-D139 IonicContact ND1-OD2 2.76Å; H117-D139 PolarHBondContact ND1-OD2 2.96Å; H117-T141 PolarHBondContact CE1-O 2.89Å; H117-T141 PolarHBondContact CE1-OG1 2.77Å; H117-T141 PolarHBondContact ND1-OG1 3.03Å; H117-W145 AromaticContact CD2-CH2 3.84Å; H117-W145 AromaticContact NE2-CH2 3.78Å
118	S	98.6	Very high	97.7	Very high	102 Å²	102	54.6 Å²	54.6	71%	0.713	28%	0.278	S	S	*	.	S	Bend	trans	-106.4	4.5	177.6	62.1	0	0	0	0	113.2	D139	S118-D139 PolarHBondContact N-OD2 3.47Å; S118-D139 WeakPolarHBondContact OG-CB 3.36Å
119	A	98.8	Very high	97.7	Very high	18 Å²	18	60.4 Å²	60.4	15%	0.149	30%	0.301	C	S	.	.	S	Bend	trans	-147.3	177.2	174.9	0	0	0	0	0	109.6	C98 S137 C138 D139	C98-A119 WeakPolarHBondContact CA-O 3.37Å; C98-A119 WeakPolarHBondContact CB-O 3.29Å; C98-A119 WeakPolarHBondContact SG-CA 3.35Å; C98-A119 PolarHBondContact SG-O 2.83Å; A119-S137 PolarHBondContact O-OG 2.78Å; A119-S137 VanDerWaalsContact O-OG 3.07Å; A119-C138 HydrophobicContact CB-CB 3.91Å; A119-D139 HydrophobicContact CB-CB 3.91Å
120	E	98.6	Very high	97.6	Very high	60 Å²	60	53.3 Å²	53.3	28%	0.28	28%	0.277	S	S	.	.			trans	-54.1	144.9	-176.6	62.9	-89.4	-152.4	0	0	113.1	Y80 D96 T122 S137 C138	Y80-E120 HydrophobicContact CD2-CB 4.27Å; Y80-E120 HydrophobicContact CE2-CB 4.05Å; Y80-E120 HydrophobicContact CE2-CG 4.32Å; D96-E120 HydrophobicContact CB-CB 4.36Å; E120-T122 HydrophobicContact CG-CG2 4.41Å; E120-S137 WeakPolarHBondContact O-CA 3.25Å; E120-S137 VanDerWaalsContact O-CB 3.25Å; E120-S137 WeakPolarHBondContact O-CB 3.4Å; E120-S137 PolarHBondContact O-OG 3.47Å; E120-C138 HydrophobicContact CG-CB 3.88Å; E120-C138 PolarHBondContact O-N 2.9Å; E120-C138 VanDerWaalsContact O-N 3.16Å; E120-C138 WeakPolarHBondContact OE1-CB 3.22Å; E120-C138 PolarHBondContact OE1-SG 3.08Å
121	I	98.9	Very high	97.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	123.4	171.9	-48.6	-56.7	0	0	0	108.5	S95 L99 V100 H117 L124 A135 G136	S95-I121 PolarHBondContact O-N 2.96Å; L99-I121 WeakPolarHBondContact O-CG1 3.15Å; V100-I121 HydrophobicContact CG2-CD1 4.08Å; V100-I121 HydrophobicContact CG2-CG1 3.93Å; V100-I121 HydrophobicContact CG2-CG2 4.11Å; H117-I121 HydrophobicContact CB-CD1 3.67Å; H117-I121 WeakPolarHBondContact CD2-CD1 3.49Å; I121-L124 HydrophobicContact CG2-CD2 4.11Å; I121-L124 HydrophobicContact CG2-CG 4.47Å; I121-A135 HydrophobicContact CG2-CB 4.05Å; I121-G136 WeakPolarHBondContact CG2-O 3.5Å
122	T	98.6	Very high	97.5	Very high	36 Å²	36	50.2 Å²	50.2	22%	0.221	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-33.6	-174.6	49.3	0	0	0	0	112.3	E120 G136 C138 I163	E120-T122 HydrophobicContact CG-CG2 4.41Å; T122-G136 PolarHBondContact N-O 3.21Å; T122-G136 VanDerWaalsContact OG1-C 3.26Å; T122-G136 PolarHBondContact OG1-O 2.92Å; T122-G136 VanDerWaalsContact OG1-O 3.09Å; T122-C138 VanDerWaalsContact CG2-SG 3.59Å; T122-I163 VanDerWaalsContact CB-O 3.27Å; T122-I163 WeakPolarHBondContact CB-O 3.32Å; T122-I163 PolarHBondContact OG1-O 3.28Å
123	D	98.6	Very high	97.5	Very high	39 Å²	39	49.2 Å²	49.2	21%	0.209	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	158.5	-179.3	-158.4	10.7	0	0	0	112.7	A135 G136 S165 L166	D123-A135 WeakPolarHBondContact O-CA 3.32Å; D123-G136 PolarHBondContact O-N 3.45Å; D123-S165 VanDerWaalsContact OD2-CA 3.22Å; D123-S165 WeakPolarHBondContact OD2-CA 3.5Å; D123-L166 PolarHBondContact OD2-N 2.92Å
124	L	98.6	Very high	97.4	Very high	14 Å²	14	48 Å²	48	7%	0.073	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	136.3	179.6	-68.5	175.1	0	0	0	110.8	A83 F92 V100 I121 I133 A134 A135	A83-L124 HydrophobicContact CB-CB 4.13Å; F92-L124 HydrophobicContact CB-CD1 3.88Å; V100-L124 HydrophobicContact CG1-CD1 4.36Å; V100-L124 HydrophobicContact CG1-CD2 3.89Å; V100-L124 HydrophobicContact CG2-CD2 3.82Å; I121-L124 HydrophobicContact CG2-CD2 4.11Å; I121-L124 HydrophobicContact CG2-CG 4.47Å; L124-I133 HydrophobicContact CD2-CD1 4.19Å; L124-A134 WeakPolarHBondContact CA-O 3.13Å; L124-A135 HydrophobicContact CD2-CB 3.56Å
125	A	97.2	Very high	97.4	Very high	10 Å²	10	47.7 Å²	47.7	8%	0.083	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	129.1	176.5	0	0	0	0	0	111.2	I133 A134 L166 V168	A125-I133 CarbonylContact O-C 3.57Å; A125-I133 WeakPolarHBondContact O-CA 2.94Å; A125-A134 PolarHBondContact N-O 2.99Å; A125-A134 PolarHBondContact O-N 2.94Å; A125-L166 HydrophobicContact CB-CB 3.75Å; A125-V168 HydrophobicContact CB-CG2 3.88Å
126	V	96.4	Very high	97.4	Very high	25 Å²	25	39.3 Å²	39.3	15%	0.152	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	133.2	177.7	-178.1	0	0	0	0	108.1	A83 F92 I133 L147	A83-V126 HydrophobicContact CB-CG2 4.32Å; F92-V126 HydrophobicContact CD2-CG2 3.58Å; F92-V126 HydrophobicContact CE2-CG2 3.47Å; F92-V126 VanDerWaalsContact CE2-CG2 3.47Å; V126-I133 HydrophobicContact CG2-CD1 4.37Å; V126-I133 HydrophobicContact CG2-CG1 4.3Å; V126-L147 HydrophobicContact CG1-CD1 4.01Å
127	N	94.8	Very high	97.5	Very high	27 Å²	27	37.8 Å²	37.8	14%	0.144	21%	0.206	C	C	.	.			trans	-70.2	160.4	178.2	76.2	-21.9	0	0	0	112.4	E129 N130 T131 L132 V168	N127-E129 VanDerWaalsContact C-N 3.29Å; N127-E129 PolarHBondContact O-N 2.89Å; N127-N130 PolarHBondContact O-N 2.81Å; N127-N130 PolarHBondContact OD1-N 3.4Å; N127-N130 VanDerWaalsContact OD1-N 3.16Å; N127-T131 PolarHBondContact ND2-OG1 3.02Å; N127-T131 PolarHBondContact OD1-N 3.16Å; N127-L132 HydrophobicContact CB-CB 4.36Å; N127-L132 PolarHBondContact N-O 3.46Å; N127-L132 PolarHBondContact OD1-N 3.2Å; N127-L132 PolarHBondContact OD1-O 3.07Å; N127-V168 HydrophobicContact CB-CG1 4.25Å
128	Y	92.7	Very high	97.5	Very high	130 Å²	130	38.5 Å²	38.5	51%	0.51	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-42.6	-177.3	-174.6	-106.5	0	0	0	112.7	N130 L170	Y128-N130 PolarHBondContact O-N 3.26Å; Y128-N130 VanDerWaalsContact O-N 3.08Å; Y128-L170 HydrophobicContact CD2-CD2 3.25Å; Y128-L170 HydrophobicContact CE2-CD2 3.99Å; Y128-L170 HydrophobicContact CG-CD2 3.91Å
129	E	94.4	Very high	97.5	Very high	135 Å²	135	35 Å²	35	63%	0.631	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-5.2	178.2	-59.5	-54.2	134.6	0	0	114.1	N127 T131	N127-E129 VanDerWaalsContact C-N 3.29Å; N127-E129 PolarHBondContact O-N 2.89Å; E129-T131 HydrophobicContact CB-CG2 4.09Å; E129-T131 WeakPolarHBondContact O-CG2 3.44Å; E129-T131 PolarHBondContact O-N 3.32Å
130	N	95.4	Very high	97.5	Very high	30 Å²	30	38.7 Å²	38.7	16%	0.16	20%	0.198	C	C	.	.	S	Bend	trans	57.9	30.9	-178.5	-160.3	51	0	0	0	113.5	D85 R86 N127 Y128	D85-N130 WeakPolarHBondContact CB-OD1 3.25Å; D85-N130 PolarHBondContact OD2-ND2 3.2Å; R86-N130 HydrophobicContact CB-CB 3.97Å; R86-N130 HydrophobicContact CG-CB 3.87Å; R86-N130 PolarHBondContact N-OD1 3.06Å; N127-N130 PolarHBondContact O-N 2.81Å; N127-N130 PolarHBondContact OD1-N 3.4Å; N127-N130 VanDerWaalsContact OD1-N 3.16Å; Y128-N130 PolarHBondContact O-N 3.26Å; Y128-N130 VanDerWaalsContact O-N 3.08Å
131	T	96.4	Very high	97.5	Very high	72 Å²	72	36.6 Å²	36.6	44%	0.442	19%	0.189	S	C	.	.	S	Bend	trans	-108	-23.8	-177.6	55	0	0	0	0	113.4	N127 E129 L147	N127-T131 PolarHBondContact ND2-OG1 3.02Å; N127-T131 PolarHBondContact OD1-N 3.16Å; E129-T131 HydrophobicContact CB-CG2 4.09Å; E129-T131 WeakPolarHBondContact O-CG2 3.44Å; E129-T131 PolarHBondContact O-N 3.32Å; T131-L147 WeakPolarHBondContact O-CB 3.41Å; T131-L147 PolarHBondContact O-N 3.43Å
132	L	97.3	Very high	97.5	Very high	61 Å²	61	37.4 Å²	37.4	32%	0.319	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.1	-176.5	-59.5	177.3	0	0	0	111	N127 V144 W145 M153	N127-L132 HydrophobicContact CB-CB 4.36Å; N127-L132 PolarHBondContact N-O 3.46Å; N127-L132 PolarHBondContact OD1-N 3.2Å; N127-L132 PolarHBondContact OD1-O 3.07Å; L132-V144 HydrophobicContact CB-CG1 4.24Å; L132-V144 HydrophobicContact CD1-CG1 4.34Å; L132-V144 HydrophobicContact CD2-CG1 4.38Å; L132-W145 WeakPolarHBondContact CA-O 3.27Å; L132-M153 HydrophobicContact CD2-CG 4.23Å
133	I	98.3	Very high	97.5	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.6	166.5	-173	170.5	0	0	0	109.2	F92 V100 L114 L124 A125 V126 V144 W145 L147	F92-I133 HydrophobicContact CB-CD1 3.62Å; F92-I133 HydrophobicContact CD1-CD1 3.93Å; F92-I133 HydrophobicContact CD2-CD1 3.67Å; F92-I133 HydrophobicContact CE2-CD1 4.28Å; F92-I133 HydrophobicContact CG-CD1 3.45Å; F92-I133 VanDerWaalsContact CG-CD1 3.45Å; V100-I133 HydrophobicContact CG1-CD1 4.47Å; L114-I133 HydrophobicContact CD1-CG2 3.96Å; L124-I133 HydrophobicContact CD2-CD1 4.19Å; A125-I133 CarbonylContact O-C 3.57Å; A125-I133 WeakPolarHBondContact O-CA 2.94Å; V126-I133 HydrophobicContact CG2-CD1 4.37Å; V126-I133 HydrophobicContact CG2-CG1 4.3Å; I133-V144 CarbonylContact O-C 3.53Å; I133-V144 VanDerWaalsContact O-CA 3.32Å; I133-V144 WeakPolarHBondContact O-CA 3.2Å; I133-W145 HydrophobicContact CG2-CB 4.14Å; I133-W145 HydrophobicContact CG2-CE3 4.33Å; I133-W145 PolarHBondContact N-O 3.35Å; I133-W145 VanDerWaalsContact N-O 3.08Å; I133-W145 PolarHBondContact O-N 3.2Å; I133-L147 HydrophobicContact CB-CD2 3.88Å; I133-L147 HydrophobicContact CB-CG 4.18Å; I133-L147 HydrophobicContact CG2-CD2 3.64Å; I133-L147 HydrophobicContact CG2-CG 4.17Å
134	A	98.4	Very high	97.5	Very high	19 Å²	19	37.8 Å²	37.8	16%	0.157	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	142.9	171.2	0	0	0	0	0	109.8	L124 A125 I142 R143 V144 L166	L124-A134 WeakPolarHBondContact CA-O 3.13Å; A125-A134 PolarHBondContact N-O 2.99Å; A125-A134 PolarHBondContact O-N 2.94Å; A134-I142 HydrophobicContact CB-CG2 4.08Å; A134-R143 CarbonylContact C-O 3.51Å; A134-R143 VanDerWaalsContact CA-O 3.25Å; A134-R143 WeakPolarHBondContact CA-O 3.25Å; A134-V144 HydrophobicContact CB-CG2 4.16Å; A134-L166 HydrophobicContact CB-CD1 4.09Å
135	A	98.8	Very high	97.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.9	172.7	0	0	0	0	0	110.3	V100 H117 I121 D123 L124 I142 R143 W145	V100-A135 HydrophobicContact CG2-CB 3.71Å; H117-A135 PolarHBondContact NE2-O 3.33Å; I121-A135 HydrophobicContact CG2-CB 4.05Å; D123-A135 WeakPolarHBondContact O-CA 3.32Å; L124-A135 HydrophobicContact CD2-CB 3.56Å; A135-I142 VanDerWaalsContact O-CA 3.27Å; A135-I142 WeakPolarHBondContact O-CA 3.17Å; A135-R143 PolarHBondContact N-O 2.76Å; A135-R143 PolarHBondContact O-N 3.39Å; A135-W145 HydrophobicContact CB-CH2 4.01Å; A135-W145 HydrophobicContact CB-CZ3 3.59Å
136	G	98.8	Very high	97.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	147.5	171.7	0	0	0	0	0	109.8	I121 T122 D123 L166	I121-G136 WeakPolarHBondContact CG2-O 3.5Å; T122-G136 PolarHBondContact N-O 3.21Å; T122-G136 VanDerWaalsContact OG1-C 3.26Å; T122-G136 PolarHBondContact OG1-O 2.92Å; T122-G136 VanDerWaalsContact OG1-O 3.09Å; D123-G136 PolarHBondContact O-N 3.45Å; G136-L166 VanDerWaalsContact N-CD1 3.26Å
137	S	98.8	Very high	97.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	159.9	-178.6	174.7	0	0	0	0	113	H117 A119 E120 D139 K140 T141 I163	H117-S137 WeakPolarHBondContact ND1-CB 3.19Å; A119-S137 PolarHBondContact O-OG 2.78Å; A119-S137 VanDerWaalsContact O-OG 3.07Å; E120-S137 WeakPolarHBondContact O-CA 3.25Å; E120-S137 VanDerWaalsContact O-CB 3.25Å; E120-S137 WeakPolarHBondContact O-CB 3.4Å; E120-S137 PolarHBondContact O-OG 3.47Å; S137-D139 WeakPolarHBondContact CB-OD1 3.36Å; S137-D139 PolarHBondContact O-N 3.38Å; S137-D139 PolarHBondContact OG-N 3.46Å; S137-D139 VanDerWaalsContact OG-N 3.08Å; S137-D139 PolarHBondContact OG-OD1 3.16Å; S137-K140 PolarHBondContact O-N 3.39Å; S137-T141 PolarHBondContact N-O 2.62Å; S137-I163 PolarHBondContact O-N 3.03Å
138	C	98.7	Very high	97.7	Very high	29 Å²	29	46.6 Å²	46.6	20%	0.196	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-12.9	166.1	-76	0	0	0	0	113.9	A119 E120 T122 K140 S162	A119-C138 HydrophobicContact CB-CB 3.91Å; E120-C138 HydrophobicContact CG-CB 3.88Å; E120-C138 PolarHBondContact O-N 2.9Å; E120-C138 VanDerWaalsContact O-N 3.16Å; E120-C138 WeakPolarHBondContact OE1-CB 3.22Å; E120-C138 PolarHBondContact OE1-SG 3.08Å; T122-C138 VanDerWaalsContact CG2-SG 3.59Å; C138-K140 PolarHBondContact O-N 2.75Å; C138-K140 VanDerWaalsContact O-N 3.14Å; C138-S162 PolarHBondContact SG-OG 2.94Å
139	D	98.7	Very high	97.9	Very high	27 Å²	27	44.7 Å²	44.7	14%	0.144	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	4.3	171.3	74.3	13.8	0	0	0	113.6	H117 S118 A119 S137 T141	H117-D139 WeakPolarHBondContact CA-OD2 3.42Å; H117-D139 WeakPolarHBondContact CB-OD2 3.48Å; H117-D139 IonicContact CE1-OD1 3.8Å; H117-D139 IonicContact CE1-OD2 3.93Å; H117-D139 IonicContact CG-OD2 3.42Å; H117-D139 VanDerWaalsContact ND1-CG 3.32Å; H117-D139 IonicContact ND1-OD1 3.21Å; H117-D139 PolarHBondContact ND1-OD1 2.9Å; H117-D139 IonicContact ND1-OD2 2.76Å; H117-D139 PolarHBondContact ND1-OD2 2.96Å; S118-D139 PolarHBondContact N-OD2 3.47Å; S118-D139 WeakPolarHBondContact OG-CB 3.36Å; A119-D139 HydrophobicContact CB-CB 3.91Å; S137-D139 WeakPolarHBondContact CB-OD1 3.36Å; S137-D139 PolarHBondContact O-N 3.38Å; S137-D139 PolarHBondContact OG-N 3.46Å; S137-D139 VanDerWaalsContact OG-N 3.08Å; S137-D139 PolarHBondContact OG-OD1 3.16Å; D139-T141 PolarHBondContact O-N 3.09Å; D139-T141 WeakPolarHBondContact OD1-CA 3.49Å; D139-T141 WeakPolarHBondContact OD1-CB 3.37Å; D139-T141 PolarHBondContact OD1-N 3.08Å; D139-T141 PolarHBondContact OD1-OG1 3.03Å; D139-T141 PolarHBondContact OD2-OG1 3.48Å
140	K	98.7	Very high	98.1	Very high	96 Å²	96	39.6 Å²	39.6	42%	0.417	20%	0.2	S	C	.	.	S	Bend	trans	69.8	12.6	175.3	-39.7	175.2	179.8	-170.7	0	113.5	S137 C138 H159 S160 G161	S137-K140 PolarHBondContact O-N 3.39Å; C138-K140 PolarHBondContact O-N 2.75Å; C138-K140 VanDerWaalsContact O-N 3.14Å; K140-H159 HydrophobicContact CB-CB 4.47Å; K140-S160 WeakPolarHBondContact CD-O 3.33Å; K140-S160 VanDerWaalsContact CE-O 3.32Å; K140-S160 WeakPolarHBondContact CE-O 3.47Å; K140-S160 PolarHBondContact NZ-O 2.95Å; K140-G161 WeakPolarHBondContact CB-O 3.34Å; K140-G161 WeakPolarHBondContact CG-O 3.44Å
141	T	98.8	Very high	98.2	Very high	16 Å²	16	39.7 Å²	39.7	10%	0.098	21%	0.205	C	C	.	.			trans	-113.4	156	176.9	74.7	0	0	0	0	111.2	H117 S137 D139 V155 L156 Q157	H117-T141 PolarHBondContact CE1-O 2.89Å; H117-T141 PolarHBondContact CE1-OG1 2.77Å; H117-T141 PolarHBondContact ND1-OG1 3.03Å; S137-T141 PolarHBondContact N-O 2.62Å; D139-T141 PolarHBondContact O-N 3.09Å; D139-T141 WeakPolarHBondContact OD1-CA 3.49Å; D139-T141 WeakPolarHBondContact OD1-CB 3.37Å; D139-T141 PolarHBondContact OD1-N 3.08Å; D139-T141 PolarHBondContact OD1-OG1 3.03Å; D139-T141 PolarHBondContact OD2-OG1 3.48Å; T141-V155 HydrophobicContact CG2-CG1 4.45Å; T141-L156 WeakPolarHBondContact CA-O 3.43Å; T141-Q157 HydrophobicContact CG2-CG 4.06Å
142	I	98.9	Very high	98.3	Very high	18 Å²	18	40.6 Å²	40.6	9%	0.092	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.1	165.7	-56.3	165.3	0	0	0	106.9	A134 A135 V155 L156 I163 L166	A134-I142 HydrophobicContact CB-CG2 4.08Å; A135-I142 VanDerWaalsContact O-CA 3.27Å; A135-I142 WeakPolarHBondContact O-CA 3.17Å; I142-V155 CarbonylContact O-C 3.54Å; I142-V155 WeakPolarHBondContact O-CA 3.27Å; I142-L156 HydrophobicContact CB-CB 4.07Å; I142-L156 HydrophobicContact CB-CD1 4.21Å; I142-L156 HydrophobicContact CB-CG 4.3Å; I142-L156 HydrophobicContact CD1-CD1 4.38Å; I142-L156 HydrophobicContact CG2-CD1 4.2Å; I142-L156 PolarHBondContact N-O 2.76Å; I142-L156 PolarHBondContact O-N 2.88Å; I142-I163 HydrophobicContact CD1-CD1 4.37Å; I142-I163 HydrophobicContact CG1-CD1 4.05Å; I142-I163 HydrophobicContact CG1-CG1 3.92Å; I142-I163 HydrophobicContact CG1-CG2 4.24Å; I142-L166 HydrophobicContact CD1-CD2 3.49Å; I142-L166 VanDerWaalsContact CD1-CD2 3.49Å; I142-L166 HydrophobicContact CG1-CD2 3.9Å; I142-L166 HydrophobicContact CG2-CD1 4.07Å; I142-L166 HydrophobicContact CG2-CD2 4.27Å
143	R	98.8	Very high	98.4	Very high	62 Å²	62	43 Å²	43	23%	0.234	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.8	173.9	-70.2	179.2	170.9	-112.9	-1	110.1	G116 A134 A135 W145 V155	G116-R143 VanDerWaalsContact CA-CZ 3.46Å; G116-R143 PolarHBondContact O-NE 3.43Å; G116-R143 VanDerWaalsContact O-NE 3.17Å; G116-R143 PolarHBondContact O-NH2 2.95Å; A134-R143 CarbonylContact C-O 3.51Å; A134-R143 VanDerWaalsContact CA-O 3.25Å; A134-R143 WeakPolarHBondContact CA-O 3.25Å; A135-R143 PolarHBondContact N-O 2.76Å; A135-R143 PolarHBondContact O-N 3.39Å; R143-W145 HydrophobicContact CB-CE3 4.28Å; R143-W145 HydrophobicContact CB-CH2 3.21Å; R143-W145 HydrophobicContact CB-CZ2 3.58Å; R143-W145 HydrophobicContact CB-CZ3 3.58Å; R143-W145 HydrophobicContact CG-CH2 4.25Å; R143-W145 HydrophobicContact CG-CZ2 4.39Å; R143-W145 WeakPolarHBondContact O-CZ3 3.4Å; R143-V155 HydrophobicContact CG-CG1 4.25Å; R143-V155 HydrophobicContact CG-CG2 4.23Å
144	V	98.8	Very high	98.4	Very high	21 Å²	21	44.9 Å²	44.9	13%	0.127	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.3	-179.6	-173.8	0	0	0	0	109.2	L132 I133 A134 M153 A154	L132-V144 HydrophobicContact CB-CG1 4.24Å; L132-V144 HydrophobicContact CD1-CG1 4.34Å; L132-V144 HydrophobicContact CD2-CG1 4.38Å; I133-V144 CarbonylContact O-C 3.53Å; I133-V144 VanDerWaalsContact O-CA 3.32Å; I133-V144 WeakPolarHBondContact O-CA 3.2Å; A134-V144 HydrophobicContact CB-CG2 4.16Å; V144-M153 HydrophobicContact CG1-CB 4.42Å; V144-M153 PolarHBondContact O-N 3.04Å; V144-A154 HydrophobicContact CB-CB 4.19Å; V144-A154 HydrophobicContact CG2-CB 4.32Å; V144-A154 PolarHBondContact N-O 2.84Å; V144-A154 PolarHBondContact O-N 3.47Å
145	W	98.8	Very high	98.4	Very high	6 Å²	6	47.1 Å²	47.1	2%	0.023	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	150.5	176.1	-60.6	-99.8	0	0	0	111.6	V100 L114 H117 L132 I133 A135 R143 A151	V100-W145 HydrophobicContact CG2-CH2 4.45Å; L114-W145 HydrophobicContact CB-CD2 4.12Å; L114-W145 HydrophobicContact CB-CG 4.39Å; L114-W145 HydrophobicContact CB-CZ2 4.05Å; L114-W145 HydrophobicContact CD1-CB 4.12Å; L114-W145 HydrophobicContact CD1-CD2 3.83Å; L114-W145 HydrophobicContact CD1-CE3 4Å; L114-W145 HydrophobicContact CD1-CG 3.9Å; L114-W145 HydrophobicContact CD2-CG 4.44Å; L114-W145 HydrophobicContact CG-CG 4.48Å; H117-W145 AromaticContact CD2-CH2 3.84Å; H117-W145 AromaticContact NE2-CH2 3.78Å; L132-W145 WeakPolarHBondContact CA-O 3.27Å; I133-W145 HydrophobicContact CG2-CB 4.14Å; I133-W145 HydrophobicContact CG2-CE3 4.33Å; I133-W145 PolarHBondContact N-O 3.35Å; I133-W145 VanDerWaalsContact N-O 3.08Å; I133-W145 PolarHBondContact O-N 3.2Å; A135-W145 HydrophobicContact CB-CH2 4.01Å; A135-W145 HydrophobicContact CB-CZ3 3.59Å; R143-W145 HydrophobicContact CB-CE3 4.28Å; R143-W145 HydrophobicContact CB-CH2 3.21Å; R143-W145 HydrophobicContact CB-CZ2 3.58Å; R143-W145 HydrophobicContact CB-CZ3 3.58Å; R143-W145 HydrophobicContact CG-CH2 4.25Å; R143-W145 HydrophobicContact CG-CZ2 4.39Å; R143-W145 WeakPolarHBondContact O-CZ3 3.4Å; W145-A151 VanDerWaalsContact CA-O 3.27Å; W145-A151 WeakPolarHBondContact CA-O 3.38Å
146	C	98.3	Very high	98.4	Very high	25 Å²	25	51.4 Å²	51.4	17%	0.169	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	122.2	167.9	179.8	0	0	0	0	109.9	R148 T149 C150 A151 M153	C146-R148 PolarHBondContact O-N 3.28Å; C146-T149 WeakPolarHBondContact CB-OG1 3.22Å; C146-T149 PolarHBondContact O-N 3.14Å; C146-C150 WeakPolarHBondContact O-CA 3.42Å; C146-C150 PolarHBondContact O-N 3.29Å; C146-A151 PolarHBondContact N-O 2.59Å; C146-M153 HydrophobicContact CB-CG 3.9Å; C146-M153 HydrophobicContact CB-SD 3.96Å
147	L	96.6	Very high	98.3	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.016	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-19.9	179.8	-77.8	176.5	0	0	0	113.8	R90 F92 I102 V126 T131 I133	R90-L147 PolarHBondContact NH1-O 3.04Å; F92-L147 HydrophobicContact CD1-CD2 4.47Å; F92-L147 HydrophobicContact CE1-CD2 3.53Å; F92-L147 HydrophobicContact CE2-CD1 4.44Å; F92-L147 HydrophobicContact CE2-CD2 4.33Å; F92-L147 HydrophobicContact CZ-CD1 3.99Å; F92-L147 HydrophobicContact CZ-CD2 3.44Å; F92-L147 VanDerWaalsContact CZ-CD2 3.44Å; F92-L147 HydrophobicContact CZ-CG 4.38Å; I102-L147 HydrophobicContact CD1-CD2 4.32Å; V126-L147 HydrophobicContact CG1-CD1 4.01Å; T131-L147 WeakPolarHBondContact O-CB 3.41Å; T131-L147 PolarHBondContact O-N 3.43Å; I133-L147 HydrophobicContact CB-CD2 3.88Å; I133-L147 HydrophobicContact CB-CG 4.18Å; I133-L147 HydrophobicContact CG2-CD2 3.64Å; I133-L147 HydrophobicContact CG2-CG 4.17Å
148	R	96.6	Very high	98.2	Very high	227 Å²	227	62.4 Å²	62.4	86%	0.857	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-46	177.1	-177.8	179.8	-69.1	-139.1	0.1	111.6	C146	C146-R148 PolarHBondContact O-N 3.28Å
149	T	97.9	Very high	98.2	Very high	90 Å²	90	66.2 Å²	66.2	55%	0.552	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-11.7	-172.7	59	0	0	0	0	113.3	C146 A151	C146-T149 WeakPolarHBondContact CB-OG1 3.22Å; C146-T149 PolarHBondContact O-N 3.14Å; T149-A151 PolarHBondContact O-N 3.17Å; T149-A151 VanDerWaalsContact O-N 3.15Å; T149-A151 VanDerWaalsContact OG1-CB 3.3Å; T149-A151 WeakPolarHBondContact OG1-CB 3.43Å; T149-A151 PolarHBondContact OG1-N 3.25Å
150	C	98	Very high	98.2	Very high	27 Å²	27	70.3 Å²	70.3	18%	0.182	39%	0.39	C	S	.	.			trans	57.4	16.5	-167.8	-57.7	0	0	0	0	113.6	S112 L114 C146	S112-C150 PolarHBondContact OG-SG 3.17Å; L114-C150 HydrophobicContact CD2-CB 3.71Å; C146-C150 WeakPolarHBondContact O-CA 3.42Å; C146-C150 PolarHBondContact O-N 3.29Å
151	A	98.3	Very high	98.1	Very high	33 Å²	33	67.3 Å²	67.3	27%	0.273	39%	0.386	S	S	.	.			trans	-76.4	141.6	179.3	0	0	0	0	0	110.9	W145 C146 T149 M153	W145-A151 VanDerWaalsContact CA-O 3.27Å; W145-A151 WeakPolarHBondContact CA-O 3.38Å; C146-A151 PolarHBondContact N-O 2.59Å; T149-A151 PolarHBondContact O-N 3.17Å; T149-A151 VanDerWaalsContact O-N 3.15Å; T149-A151 VanDerWaalsContact OG1-CB 3.3Å; T149-A151 WeakPolarHBondContact OG1-CB 3.43Å; T149-A151 PolarHBondContact OG1-N 3.25Å; A151-M153 HydrophobicContact CB-CE 4.36Å
152	P	98.4	Very high	98.1	Very high	91 Å²	91	69.3 Å²	69.3	59%	0.591	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	134.6	171	28.9	-33.7	0	0	0	109.8
153	M	98.5	Very high	98.1	Very high	112 Å²	112	68.8 Å²	68.8	55%	0.552	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	-39.7	-177.8	-65	-78.4	80.9	0	0	112.4	L132 V144 C146 A151	L132-M153 HydrophobicContact CD2-CG 4.23Å; V144-M153 HydrophobicContact CG1-CB 4.42Å; V144-M153 PolarHBondContact O-N 3.04Å; C146-M153 HydrophobicContact CB-CG 3.9Å; C146-M153 HydrophobicContact CB-SD 3.96Å; A151-M153 HydrophobicContact CB-CE 4.36Å
154	A	98.5	Very high	98	Very high	40 Å²	40	71.5 Å²	71.5	33%	0.331	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	156	179.5	0	0	0	0	0	111.6	V144 L156	V144-A154 HydrophobicContact CB-CB 4.19Å; V144-A154 HydrophobicContact CG2-CB 4.32Å; V144-A154 PolarHBondContact N-O 2.84Å; V144-A154 PolarHBondContact O-N 3.47Å; A154-L156 HydrophobicContact CB-CD2 4.25Å
155	V	98.7	Very high	97.9	Very high	66 Å²	66	74.4 Å²	74.4	40%	0.4	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	114.4	164.7	-173	0	0	0	0	106.5	T141 I142 R143 Q157	T141-V155 HydrophobicContact CG2-CG1 4.45Å; I142-V155 CarbonylContact O-C 3.54Å; I142-V155 WeakPolarHBondContact O-CA 3.27Å; R143-V155 HydrophobicContact CG-CG1 4.25Å; R143-V155 HydrophobicContact CG-CG2 4.23Å; V155-Q157 HydrophobicContact CG1-CG 3.98Å
156	L	98.3	Very high	97.8	Very high	90 Å²	90	75.9 Å²	75.9	47%	0.471	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	123.8	175.6	-41.2	178.1	0	0	0	107.9	T141 I142 A154	T141-L156 WeakPolarHBondContact CA-O 3.43Å; I142-L156 HydrophobicContact CB-CB 4.07Å; I142-L156 HydrophobicContact CB-CD1 4.21Å; I142-L156 HydrophobicContact CB-CG 4.3Å; I142-L156 HydrophobicContact CD1-CD1 4.38Å; I142-L156 HydrophobicContact CG2-CD1 4.2Å; I142-L156 PolarHBondContact N-O 2.76Å; I142-L156 PolarHBondContact O-N 2.88Å; A154-L156 HydrophobicContact CB-CD2 4.25Å
157	Q	97.7	Very high	97.6	Very high	154 Å²	154	83.2 Å²	83.2	72%	0.72	48%	0.483	S	S	*	.			trans	-123.9	164.3	-179.6	-59.1	-175.1	-49.8	0	0	109.2	T141 V155	T141-Q157 HydrophobicContact CG2-CG 4.06Å; V155-Q157 HydrophobicContact CG1-CG 3.98Å
158	G	97.2	Very high	97.3	Very high	77 Å²	77	85.6 Å²	85.6	79%	0.794	50%	0.498	S	S	*	.			trans	129.6	-12.4	178.3	0	0	0	0	0	114
159	H	97.8	Very high	96.8	Very high	109 Å²	109	79.9 Å²	79.9	51%	0.505	49%	0.492	S	S	.	.			trans	-75.7	135.8	171.8	-68.6	-91.7	0	0	0	110.9	K140 I163	K140-H159 HydrophobicContact CB-CB 4.47Å; H159-I163 HydrophobicContact CB-CD1 3.78Å; H159-I163 WeakPolarHBondContact CD2-CD1 3.39Å
160	S	98.1	Very high	95.7	Very high	113 Å²	113	80.2 Å²	80.2	79%	0.79	49%	0.49	S	S	*	.	S	Bend	trans	-86.7	-14.4	175.3	55.8	0	0	0	0	113.2	K140	K140-S160 WeakPolarHBondContact CD-O 3.33Å; K140-S160 VanDerWaalsContact CE-O 3.32Å; K140-S160 WeakPolarHBondContact CE-O 3.47Å; K140-S160 PolarHBondContact NZ-O 2.95Å
161	G	98.1	Very high	94.1	Very high	33 Å²	33	88.1 Å²	88.1	34%	0.34	52%	0.521	S	S	.	.	S	Bend	trans	-130.9	177.5	178.2	0	0	0	0	0	112.6	K140	K140-G161 WeakPolarHBondContact CB-O 3.34Å; K140-G161 WeakPolarHBondContact CG-O 3.44Å
162	S	98.3	Very high	91.9	Very high	59 Å²	59	95.9 Å²	95.9	41%	0.413	57%	0.573	S	S	.	*			trans	-57.6	142.3	180	-57.3	0	0	0	0	111.9	C138 T164	C138-S162 PolarHBondContact SG-OG 2.94Å; S162-T164 PolarHBondContact O-N 3.08Å
163	I	98.6	Very high	91.6	Very high	6 Å²	6	96.1 Å²	96.1	3%	0.031	57%	0.573	C	S	.	*			trans	-73.7	126	168.3	-50.3	-56	0	0	0	107.5	T122 S137 I142 H159 L166	T122-I163 VanDerWaalsContact CB-O 3.27Å; T122-I163 WeakPolarHBondContact CB-O 3.32Å; T122-I163 PolarHBondContact OG1-O 3.28Å; S137-I163 PolarHBondContact O-N 3.03Å; I142-I163 HydrophobicContact CD1-CD1 4.37Å; I142-I163 HydrophobicContact CG1-CD1 4.05Å; I142-I163 HydrophobicContact CG1-CG1 3.92Å; I142-I163 HydrophobicContact CG1-CG2 4.24Å; H159-I163 HydrophobicContact CB-CD1 3.78Å; H159-I163 WeakPolarHBondContact CD2-CD1 3.39Å; I163-L166 HydrophobicContact CG2-CD2 3.87Å; I163-L166 HydrophobicContact CG2-CG 4.21Å
164	T	97.6	Very high	91.2	Very high	119 Å²	119	95.3 Å²	95.3	73%	0.73	57%	0.574	S	S	*	*			trans	-105	-27.9	-178.1	52.3	0	0	0	0	113.2	S162	S162-T164 PolarHBondContact O-N 3.08Å
165	S	96.9	Very high	90.8	Very high	83 Å²	83	98.3 Å²	98.3	58%	0.58	59%	0.587	S	S	*	*			trans	-155	156	177.4	61.1	0	0	0	0	112.1	D123	D123-S165 VanDerWaalsContact OD2-CA 3.22Å; D123-S165 WeakPolarHBondContact OD2-CA 3.5Å
166	L	96.4	Very high	90.3	Very high	36 Å²	36	100.2 Å²	100.2	19%	0.188	60%	0.598	C	S	.	*			trans	-131.4	144.4	173.6	-64.9	179	0	0	0	110	D123 A125 A134 G136 I142 I163	D123-L166 PolarHBondContact OD2-N 2.92Å; A125-L166 HydrophobicContact CB-CB 3.75Å; A134-L166 HydrophobicContact CB-CD1 4.09Å; G136-L166 VanDerWaalsContact N-CD1 3.26Å; I142-L166 HydrophobicContact CD1-CD2 3.49Å; I142-L166 VanDerWaalsContact CD1-CD2 3.49Å; I142-L166 HydrophobicContact CG1-CD2 3.9Å; I142-L166 HydrophobicContact CG2-CD1 4.07Å; I142-L166 HydrophobicContact CG2-CD2 4.27Å; I163-L166 HydrophobicContact CG2-CD2 3.87Å; I163-L166 HydrophobicContact CG2-CG 4.21Å
167	Q	93.9	Very high	89.9	Confident	179 Å²	179	100.9 Å²	100.9	84%	0.836	61%	0.606	S	S	*	*			trans	-138.1	139.2	172.3	-174.4	176.1	-20.8	0	0	109.5
168	V	89.9	Confident	89.3	Confident	53 Å²	53	97.3 Å²	97.3	32%	0.321	60%	0.599	S	S	.	*			trans	-96.2	128	169.3	-173.7	0	0	0	0	109.3	A125 N127	A125-V168 HydrophobicContact CB-CG2 3.88Å; N127-V168 HydrophobicContact CB-CG1 4.25Å
169	C	86.8	Confident	88.8	Confident	107 Å²	107	98.8 Å²	98.8	72%	0.723	59%	0.585	S	S	*	*			trans	-71.8	137.3	171.2	-70.7	0	0	0	0	110.7
170	L	74.6	Confident	88.1	Confident	98 Å²	98	98 Å²	98	51%	0.513	59%	0.591	S	S	.	*	S	Bend	trans	-92.9	-3.6	-175.4	-70.4	163.8	0	0	0	113.7	Y128	Y128-L170 HydrophobicContact CD2-CD2 3.25Å; Y128-L170 HydrophobicContact CE2-CD2 3.99Å; Y128-L170 HydrophobicContact CG-CD2 3.91Å
171	F	63.4	Low	87.2	Confident	192 Å²	192	96.8 Å²	96.8	84%	0.842	57%	0.574	S	S	*	*			trans	-137.4	118.8	-174.4	-56.1	-74.3	0	0	0	110.4
172	S	52.5	Low	86.3	Confident	196 Å²	196	102.5 Å²	102.5	100%	1.371	60%	0.595	S	S	*	*			trans	-140	0	162	61.9	0	0	0	0	108.1

Retrieved 172 of 172 residues in 92.4 ms (Link to these results)

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