A0A060WVB7_ONCMY Loading...

Vasotocin

AlphaFold DB , UniProt , Accession A0A060WVB7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC100301660, Length 153 aa.

						>A0A060WVB7_ONCMY|A0A060WVB7|LOC100301660
MSYSTFPLLWVLGLLALSSACYIQNCPRGGKRSFPDLPRQCMSCGPGDRGRCFGPNICCGEGMGCYVGSPEAAGCVEENYLPSPCEAGGRVCGSEGSCAASGVCCDSESCVLDPDCLEDSKRQSPSKQNAALMGGLAGDLLRILHATSRGRPQ
					

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(Predicted Aligned Error values between residue pairs)

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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	51.6	Low	70.4	Confident	239 Å²	239	131.5 Å²	131.5	100%	1.177	67%	0.669	S	S	*	*				0	78.8	0	-72.1	140.1	101	0	0	108.4
2	S	55.3	Low	71.2	Confident	84 Å²	84	129.7 Å²	129.7	59%	0.587	66%	0.661	S	S	*	*			trans	-127.2	3.9	-173.9	-52	0	0	0	0	113.9
3	Y	56.6	Low	71.8	Confident	222 Å²	222	122.1 Å²	122.1	87%	0.871	64%	0.635	S	S	*	*	S	Bend	trans	-85.7	-9.4	-178.5	-81.5	-84.6	0	0	0	114.3	P7	Y3-P7 WeakPolarHBondContact O-CD 3.41Å
4	S	64.7	Low	72.2	Confident	99 Å²	99	120.2 Å²	120.2	69%	0.692	63%	0.625	S	S	*	*	S	Bend	trans	-95.2	-12.4	-173.5	-166.1	0	0	0	0	114.8
5	T	66.3	Low	72.4	Confident	80 Å²	80	119.6 Å²	119.6	49%	0.491	62%	0.623	S	S	.	*	H	α-helix	trans	-91.6	-29.2	-175.4	51.9	0	0	0	0	113.1	L8 L9	T5-L8 PolarHBondContact O-N 3.28Å; T5-L9 WeakPolarHBondContact O-CB 3.38Å; T5-L9 PolarHBondContact O-N 2.77Å
6	F	73.6	Confident	72.5	Confident	157 Å²	157	115.6 Å²	115.6	69%	0.689	61%	0.612	S	S	*	*	H	α-helix	trans	-59.4	-50.2	174	-80.2	-78.9	0	0	0	114.4	L8 L9 W10	F6-L8 VanDerWaalsContact C-N 3.27Å; F6-L8 PolarHBondContact O-N 2.89Å; F6-L9 PolarHBondContact O-N 3.08Å; F6-W10 WeakPolarHBondContact O-CB 3.45Å; F6-W10 PolarHBondContact O-N 3.14Å
7	P	79.7	Confident	72.5	Confident	73 Å²	73	115.9 Å²	115.9	47%	0.474	61%	0.613	S	S	.	*	H	α-helix	trans	-66.4	-33	178.2	25.4	-33.8	0	0	0	111.8	Y3 W10 V11	Y3-P7 WeakPolarHBondContact O-CD 3.41Å; P7-W10 PolarHBondContact O-N 3.26Å; P7-V11 VanDerWaalsContact O-CG2 3.28Å; P7-V11 WeakPolarHBondContact O-CG2 3.37Å; P7-V11 PolarHBondContact O-N 3.21Å
8	L	78.6	Confident	72.2	Confident	112 Å²	112	113.6 Å²	113.6	59%	0.586	61%	0.608	S	S	*	*	H	α-helix	trans	-66.3	-47.3	177.3	-161.4	94.2	0	0	0	111.4	T5 F6 W10 V11 L12	T5-L8 PolarHBondContact O-N 3.28Å; F6-L8 VanDerWaalsContact C-N 3.27Å; F6-L8 PolarHBondContact O-N 2.89Å; L8-W10 VanDerWaalsContact C-N 3.31Å; L8-W10 PolarHBondContact O-N 3.32Å; L8-V11 PolarHBondContact O-N 2.54Å; L8-L12 HydrophobicContact CG-CD1 4.06Å; L8-L12 WeakPolarHBondContact O-CD1 3.31Å; L8-L12 PolarHBondContact O-N 3.46Å
9	L	80.8	Confident	71.8	Confident	120 Å²	120	111.9 Å²	111.9	63%	0.628	61%	0.606	S	S	*	*	H	α-helix	trans	-61.6	-39.1	176	-91.8	157.9	0	0	0	112.3	T5 F6 G13	T5-L9 WeakPolarHBondContact O-CB 3.38Å; T5-L9 PolarHBondContact O-N 2.77Å; F6-L9 PolarHBondContact O-N 3.08Å; L9-G13 PolarHBondContact O-N 3.22Å
10	W	83.4	Confident	71.3	Confident	182 Å²	182	110.5 Å²	110.5	69%	0.689	61%	0.611	S	S	*	*	H	α-helix	trans	-63.1	-47	175.9	-178.1	-77.8	0	0	0	112	F6 P7 L8 G13 L14	F6-W10 WeakPolarHBondContact O-CB 3.45Å; F6-W10 PolarHBondContact O-N 3.14Å; P7-W10 PolarHBondContact O-N 3.26Å; L8-W10 VanDerWaalsContact C-N 3.31Å; L8-W10 PolarHBondContact O-N 3.32Å; W10-G13 PolarHBondContact O-N 2.9Å; W10-L14 WeakPolarHBondContact O-CG 3.48Å; W10-L14 PolarHBondContact O-N 3.03Å
11	V	83.9	Confident	70.9	Confident	79 Å²	79	110.7 Å²	110.7	48%	0.479	62%	0.618	S	S	.	*	H	α-helix	trans	-64	-44.2	178.3	171.6	0	0	0	0	111	P7 L8 G13 L14 L15	P7-V11 VanDerWaalsContact O-CG2 3.28Å; P7-V11 WeakPolarHBondContact O-CG2 3.37Å; P7-V11 PolarHBondContact O-N 3.21Å; L8-V11 PolarHBondContact O-N 2.54Å; V11-G13 VanDerWaalsContact C-N 3.3Å; V11-G13 PolarHBondContact O-N 3.43Å; V11-L14 PolarHBondContact O-N 3.24Å; V11-L15 HydrophobicContact CG1-CD1 3.88Å; V11-L15 WeakPolarHBondContact O-CD1 3.16Å; V11-L15 PolarHBondContact O-N 3.35Å
12	L	80.3	Confident	71.4	Confident	109 Å²	109	106.6 Å²	106.6	57%	0.571	59%	0.591	S	S	*	*	H	α-helix	trans	-61.1	-39.2	174.7	-92.6	84.8	0	0	0	112.2	L8 L15 A16	L8-L12 HydrophobicContact CG-CD1 4.06Å; L8-L12 WeakPolarHBondContact O-CD1 3.31Å; L8-L12 PolarHBondContact O-N 3.46Å; L12-L15 PolarHBondContact O-N 2.9Å; L12-A16 PolarHBondContact O-N 3.06Å
13	G	79.2	Confident	71.7	Confident	31 Å²	31	108.3 Å²	108.3	32%	0.32	59%	0.592	S	S	.	*	H	α-helix	trans	-61.7	-49	175.1	0	0	0	0	0	112.3	L9 W10 V11 L15 A16 L17	L9-G13 PolarHBondContact O-N 3.22Å; W10-G13 PolarHBondContact O-N 2.9Å; V11-G13 VanDerWaalsContact C-N 3.3Å; V11-G13 PolarHBondContact O-N 3.43Å; G13-L15 VanDerWaalsContact C-N 3.31Å; G13-L15 PolarHBondContact O-N 2.98Å; G13-A16 PolarHBondContact O-N 2.76Å; G13-A16 VanDerWaalsContact O-N 3.16Å; G13-L17 WeakPolarHBondContact O-CD1 3.43Å; G13-L17 PolarHBondContact O-N 2.81Å
14	L	76.7	Confident	71.9	Confident	96 Å²	96	104.8 Å²	104.8	50%	0.503	58%	0.583	S	S	.	*	H	α-helix	trans	-61.8	-36.5	177.8	-71	-179.3	0	0	0	113	W10 V11 L17 S18	W10-L14 WeakPolarHBondContact O-CG 3.48Å; W10-L14 PolarHBondContact O-N 3.03Å; V11-L14 PolarHBondContact O-N 3.24Å; L14-L17 PolarHBondContact O-N 2.94Å; L14-S18 WeakPolarHBondContact O-CB 3.28Å; L14-S18 PolarHBondContact O-N 2.99Å; L14-S18 PolarHBondContact O-OG 2.95Å
15	L	75.5	Confident	71.7	Confident	111 Å²	111	107.1 Å²	107.1	58%	0.581	59%	0.588	S	S	*	*	H	α-helix	trans	-67.5	-37.2	174.7	-95.6	78.9	0	0	0	112.5	V11 L12 G13 S18 S19	V11-L15 HydrophobicContact CG1-CD1 3.88Å; V11-L15 WeakPolarHBondContact O-CD1 3.16Å; V11-L15 PolarHBondContact O-N 3.35Å; L12-L15 PolarHBondContact O-N 2.9Å; G13-L15 VanDerWaalsContact C-N 3.31Å; G13-L15 PolarHBondContact O-N 2.98Å; L15-S18 PolarHBondContact O-OG 2.92Å; L15-S19 PolarHBondContact O-N 3.42Å; L15-S19 VanDerWaalsContact O-N 3.12Å; L15-S19 PolarHBondContact O-OG 3.03Å
16	A	74.7	Confident	71.6	Confident	55 Å²	55	107.8 Å²	107.8	46%	0.455	60%	0.595	S	S	.	*	H	α-helix	trans	-69.7	-36.2	175.9	0	0	0	0	0	112.1	L12 G13 S19 A20	L12-A16 PolarHBondContact O-N 3.06Å; G13-A16 PolarHBondContact O-N 2.76Å; G13-A16 VanDerWaalsContact O-N 3.16Å; A16-S19 PolarHBondContact O-OG 2.87Å; A16-A20 PolarHBondContact O-N 2.95Å
17	L	71	Confident	71	Confident	121 Å²	121	105.7 Å²	105.7	63%	0.634	60%	0.597	S	S	*	*	H	α-helix	trans	-71.8	-35	175.2	-86.2	81.5	0	0	0	112.3	G13 L14 C21	G13-L17 WeakPolarHBondContact O-CD1 3.43Å; G13-L17 PolarHBondContact O-N 2.81Å; L14-L17 PolarHBondContact O-N 2.94Å; L17-C21 PolarHBondContact O-N 3.05Å
18	S	68.3	Low	70.3	Confident	75 Å²	75	113.1 Å²	113.1	52%	0.524	62%	0.616	S	S	.	*	H	α-helix	trans	-72.3	-31.6	177.7	68.4	0	0	0	0	112.7	L14 L15 Y22	L14-S18 WeakPolarHBondContact O-CB 3.28Å; L14-S18 PolarHBondContact O-N 2.99Å; L14-S18 PolarHBondContact O-OG 2.95Å; L15-S18 PolarHBondContact O-OG 2.92Å; S18-Y22 PolarHBondContact O-N 2.04Å
19	S	64	Low	69.3	Low	81 Å²	81	110.5 Å²	110.5	57%	0.566	62%	0.616	S	S	*	*	H	α-helix	trans	-72.8	-33.4	174.1	67.9	0	0	0	0	112.7	L15 A16 C21 Y22	L15-S19 PolarHBondContact O-N 3.42Å; L15-S19 VanDerWaalsContact O-N 3.12Å; L15-S19 PolarHBondContact O-OG 3.03Å; A16-S19 PolarHBondContact O-OG 2.87Å; S19-C21 VanDerWaalsContact C-N 3.32Å; S19-C21 PolarHBondContact O-N 2.03Å; S19-Y22 PolarHBondContact O-N 3.06Å
20	A	62.8	Low	68.8	Low	84 Å²	84	107 Å²	107	69%	0.694	61%	0.609	S	S	*	*	H	α-helix	trans	-70.3	-24.6	176.5	0	0	0	0	0	113.8	A16	A16-A20 PolarHBondContact O-N 2.95Å
21	C	61	Low	67.8	Low	114 Å²	114	109 Å²	109	77%	0.77	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	2.9	176.4	-87.9	0	0	0	0	114.2	L17 S19 I23	L17-C21 PolarHBondContact O-N 3.05Å; S19-C21 VanDerWaalsContact C-N 3.32Å; S19-C21 PolarHBondContact O-N 2.03Å; C21-I23 PolarHBondContact O-N 2.91Å
22	Y	64.1	Low	66.9	Low	153 Å²	153	117 Å²	117	60%	0.6	64%	0.644	S	S	*	*			trans	-93.5	87	175.6	-158.8	-78.5	0	0	0	109.3	S18 S19 Q24	S18-Y22 PolarHBondContact O-N 2.04Å; S19-Y22 PolarHBondContact O-N 3.06Å; Y22-Q24 VanDerWaalsContact C-N 3.32Å; Y22-Q24 HydrophobicContact CD1-CB 4.44Å; Y22-Q24 HydrophobicContact CD1-CG 3.61Å; Y22-Q24 HydrophobicContact CE1-CG 3.97Å; Y22-Q24 PolarHBondContact O-N 3.14Å
23	I	61.1	Low	66.1	Low	121 Å²	121	114.8 Å²	114.8	62%	0.621	64%	0.638	S	S	*	*			trans	-62.9	97.5	166.9	-75.4	167.2	0	0	0	107.6	C21 C26	C21-I23 PolarHBondContact O-N 2.91Å; I23-C26 HydrophobicContact CG2-CB 4.26Å; I23-C26 WeakPolarHBondContact CG2-SG 3.28Å
24	Q	59.6	Low	65.1	Low	147 Å²	147	120.8 Å²	120.8	69%	0.687	66%	0.655	S	S	*	*	S	Bend	trans	-72.9	-19.7	172.1	-66.9	-76.7	-11	0	0	111.7	Y22	Y22-Q24 VanDerWaalsContact C-N 3.32Å; Y22-Q24 HydrophobicContact CD1-CB 4.44Å; Y22-Q24 HydrophobicContact CD1-CG 3.61Å; Y22-Q24 HydrophobicContact CE1-CG 3.97Å; Y22-Q24 PolarHBondContact O-N 3.14Å
25	N	61.8	Low	64.5	Low	148 Å²	148	121 Å²	121	79%	0.791	66%	0.663	S	S	*	*			trans	-109.8	51.9	-178	-82.2	-59.1	0	0	0	111.4	P27	N25-P27 VanDerWaalsContact O-CD 3.3Å; N25-P27 WeakPolarHBondContact O-CD 3.3Å
26	C	64.4	Low	64.1	Low	95 Å²	95	120.8 Å²	120.8	64%	0.642	66%	0.662	S	S	*	*			trans	-68	119.3	164.7	-88.1	0	0	0	0	107.1	I23 R28	I23-C26 HydrophobicContact CG2-CB 4.26Å; I23-C26 WeakPolarHBondContact CG2-SG 3.28Å; C26-R28 PolarHBondContact O-N 3Å
27	P	60.3	Low	64.2	Low	112 Å²	112	125.2 Å²	125.2	73%	0.727	68%	0.678	S	S	*	*			trans	-55.8	145.7	171.4	24.7	-32.5	0	0	0	108.5	N25 G29	N25-P27 VanDerWaalsContact O-CD 3.3Å; N25-P27 WeakPolarHBondContact O-CD 3.3Å; P27-G29 VanDerWaalsContact C-N 3.34Å; P27-G29 PolarHBondContact O-N 2.96Å
28	R	64.1	Low	64.8	Low	229 Å²	229	122.5 Å²	122.5	86%	0.864	67%	0.667	S	S	*	*	S	Bend	trans	-63.7	97	179	-166	162.1	-175.2	118	-2	108.2	C26	C26-R28 PolarHBondContact O-N 3Å
29	G	58.5	Low	65.9	Low	57 Å²	57	122.2 Å²	122.2	59%	0.588	65%	0.654	S	S	*	*			trans	172.5	106.9	-170.8	0	0	0	0	0	113.1	P27 S33	P27-G29 VanDerWaalsContact C-N 3.34Å; P27-G29 PolarHBondContact O-N 2.96Å; G29-S33 WeakPolarHBondContact CA-OG 3.35Å
30	G	69.6	Low	67.2	Low	47 Å²	47	123.1 Å²	123.1	49%	0.485	65%	0.65	S	S	.	*			trans	-131.3	171.7	168.1	0	0	0	0	0	109.3	R32 S33	G30-R32 PolarHBondContact O-N 2.79Å; G30-S33 PolarHBondContact N-OG 3.28Å; G30-S33 PolarHBondContact O-N 3.16Å; G30-S33 PolarHBondContact O-OG 3.37Å
31	K	62.7	Low	68.8	Low	225 Å²	225	119.6 Å²	119.6	98%	0.978	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	-7.1	178.4	-60	-175.7	-173.3	-177.7	0	114.6
32	R	64.3	Low	70.4	Confident	245 Å²	245	116.7 Å²	116.7	93%	0.925	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.4	6.9	179.1	-60.2	-177.8	176	172.6	-1.6	113.2	G30 F34	G30-R32 PolarHBondContact O-N 2.79Å; R32-F34 PolarHBondContact O-N 3.25Å; R32-F34 VanDerWaalsContact O-N 3.11Å
33	S	63.9	Low	72	Confident	63 Å²	63	111.9 Å²	111.9	44%	0.441	58%	0.584	S	S	.	*			trans	-67.1	115.8	168.8	51	0	0	0	0	106.7	G29 G30	G29-S33 WeakPolarHBondContact CA-OG 3.35Å; G30-S33 PolarHBondContact N-OG 3.28Å; G30-S33 PolarHBondContact O-N 3.16Å; G30-S33 PolarHBondContact O-OG 3.37Å
34	F	59.2	Low	73.7	Confident	157 Å²	157	106.5 Å²	106.5	69%	0.689	56%	0.557	S	S	*	*			trans	-55.7	134.1	170.3	-163.9	-97.5	0	0	0	107.5	R32 D36	R32-F34 PolarHBondContact O-N 3.25Å; R32-F34 VanDerWaalsContact O-N 3.11Å; F34-D36 PolarHBondContact O-N 2.97Å
35	P	64.3	Low	75.4	Confident	101 Å²	101	100.3 Å²	100.3	66%	0.656	53%	0.533	S	S	*	.			trans	-60.7	110.9	170.1	25	-29.9	0	0	0	106.5	L37	P35-L37 PolarHBondContact O-N 3.29Å; P35-L37 VanDerWaalsContact O-N 3.09Å
36	D	66.3	Low	77	Confident	107 Å²	107	96.5 Å²	96.5	57%	0.572	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-56.2	120.3	170.8	-76.4	-40.4	0	0	0	105.9	F34	F34-D36 PolarHBondContact O-N 2.97Å
37	L	77.6	Confident	78.3	Confident	148 Å²	148	95.2 Å²	95.2	78%	0.775	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-52.4	134.3	174.5	-115.5	70.8	0	0	0	107.5	P35 R39	P35-L37 PolarHBondContact O-N 3.29Å; P35-L37 VanDerWaalsContact O-N 3.09Å; L37-R39 PolarHBondContact O-N 3.23Å
38	P	83.3	Confident	79.9	Confident	63 Å²	63	95.1 Å²	95.1	41%	0.409	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-58.1	130.8	-178.7	23.9	-32.3	0	0	0	109	E86	P38-E86 HydrophobicContact CB-CB 4.14Å; P38-E86 HydrophobicContact CG-CB 4.34Å
39	R	91	Very high	81.3	Confident	70 Å²	70	92.3 Å²	92.3	26%	0.264	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	164	175.4	57	173.9	177.4	81.4	9.4	109.5	L37 C41 E78 L81 S83 P84 C85 E86	L37-R39 PolarHBondContact O-N 3.23Å; R39-C41 PolarHBondContact O-N 3.43Å; R39-E78 IonicContact CZ-OE1 3.01Å; R39-E78 IonicContact NH1-OE1 2.62Å; R39-E78 PolarHBondContact NH1-OE1 2.81Å; R39-E78 IonicContact NH1-OE2 3.96Å; R39-E78 IonicContact NH2-OE1 2.61Å; R39-E78 PolarHBondContact NH2-OE1 2.93Å; R39-L81 VanDerWaalsContact NH2-CD1 3.29Å; R39-S83 PolarHBondContact NE-O 3.24Å; R39-S83 PolarHBondContact NE-OG 2.02Å; R39-S83 PolarHBondContact NH2-O 3.44Å; R39-P84 WeakPolarHBondContact CG-O 3.31Å; R39-P84 PolarHBondContact N-O 3.09Å; R39-C85 HydrophobicContact CG-CB 3.97Å; R39-C85 CarbonylContact O-C 3.42Å; R39-C85 WeakPolarHBondContact O-CA 2.99Å; R39-C85 WeakPolarHBondContact O-CB 3.34Å; R39-E86 PolarHBondContact O-N 2.8Å
40	Q	92.2	Very high	83	Confident	100 Å²	100	89.7 Å²	89.7	47%	0.467	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	138.9	167.3	-153.5	78.4	41.2	0	0	109.5	E86 A87	Q40-E86 WeakPolarHBondContact CA-O 3.29Å; Q40-E86 PolarHBondContact NE2-O 3.11Å; Q40-A87 VanDerWaalsContact NE2-C 3.27Å; Q40-A87 PolarHBondContact NE2-O 3.46Å
41	C	95.8	Very high	84.3	Confident	9 Å²	9	92.1 Å²	92.1	6%	0.061	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-61.5	160.1	169.6	-56.9	0	0	0	0	110.9	R39 R51 C52 C85 E86 A87	R39-C41 PolarHBondContact O-N 3.43Å; C41-R51 VanDerWaalsContact O-CD 3.31Å; C41-R51 WeakPolarHBondContact O-CD 3.03Å; C41-R51 PolarHBondContact O-NH1 2.95Å; C41-C52 HydrophobicContact CB-CB 4.32Å; C41-C52 WeakPolarHBondContact CB-O 3.01Å; C41-C85 VanDerWaalsContact CA-SG 3.5Å; C41-C85 HydrophobicContact CB-CB 3.89Å; C41-C85 WeakPolarHBondContact CB-SG 3.45Å; C41-C85 WeakPolarHBondContact SG-CB 2.95Å; C41-C85 CovalentContact SG-SG 2.05Å; C41-C85 PolarHBondContact SG-SG 2.96Å; C41-E86 PolarHBondContact N-O 2.85Å; C41-E86 PolarHBondContact SG-N 2.95Å; C41-E86 VanDerWaalsContact SG-N 3.44Å; C41-A87 PolarHBondContact SG-N 3.5Å; C41-A87 VanDerWaalsContact SG-N 3.4Å
42	M	95.3	Very high	86	Confident	54 Å²	54	81.6 Å²	81.6	27%	0.266	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-57.5	151.6	-176.4	-69.9	-175.9	-58.6	0	0	112.4	R51 C52 E77 E78 L81	M42-R51 WeakPolarHBondContact O-CA 3.06Å; M42-C52 PolarHBondContact O-N 2.02Å; M42-E77 HydrophobicContact CE-CB 3.68Å; M42-E77 HydrophobicContact CE-CG 4.11Å; M42-E77 HydrophobicContact SD-CG 4.39Å; M42-E78 WeakPolarHBondContact CB-OE2 3.01Å; M42-E78 HydrophobicContact CE-CB 3.95Å; M42-E78 VanDerWaalsContact CE-N 3.28Å; M42-E78 WeakPolarHBondContact CE-OE2 3.28Å; M42-E78 VanDerWaalsContact CG-OE2 3.28Å; M42-E78 WeakPolarHBondContact CG-OE2 3.3Å; M42-E78 PolarHBondContact N-OE2 2.82Å; M42-L81 HydrophobicContact CE-CD1 4.42Å; M42-L81 HydrophobicContact CG-CD1 4.36Å; M42-L81 HydrophobicContact SD-CD1 3.98Å
43	S	96.5	Very high	87.5	Confident	51 Å²	51	71.4 Å²	71.4	36%	0.357	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	150.1	170.9	50.4	0	0	0	0	110.5	G50	S43-G50 VanDerWaalsContact CA-O 3.29Å; S43-G50 WeakPolarHBondContact CA-O 3.38Å
44	C	96.9	Very high	89	Confident	8 Å²	8	68.9 Å²	68.9	5%	0.054	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	172.2	-179.1	61.8	0	0	0	0	111.5	G50 R51 C58	C44-G50 PolarHBondContact N-O 2.81Å; C44-G50 VanDerWaalsContact N-O 3.09Å; C44-G50 WeakPolarHBondContact O-CA 3.48Å; C44-G50 PolarHBondContact O-N 3.09Å; C44-R51 PolarHBondContact SG-N 2.79Å; C44-R51 PolarHBondContact SG-O 2.82Å; C44-R51 VanDerWaalsContact SG-O 3.38Å; C44-C58 HydrophobicContact CB-CB 3.82Å; C44-C58 WeakPolarHBondContact CB-SG 3.28Å; C44-C58 WeakPolarHBondContact SG-CA 3.39Å; C44-C58 WeakPolarHBondContact SG-CB 3.42Å; C44-C58 CovalentContact SG-SG 2.02Å; C44-C58 PolarHBondContact SG-SG 3.38Å
45	G	95.8	Very high	90.8	Very high	18 Å²	18	62.9 Å²	62.9	19%	0.186	35%	0.347	C	S	.	.	S	Bend	trans	72.2	-173.8	176	0	0	0	0	0	115.7	G47 D48 C58 E71	G45-G47 PolarHBondContact O-N 3.1Å; G45-G47 VanDerWaalsContact O-N 3.1Å; G45-D48 PolarHBondContact O-N 3.11Å; G45-D48 VanDerWaalsContact O-N 3.09Å; G45-C58 PolarHBondContact N-SG 3.04Å; G45-C58 VanDerWaalsContact N-SG 3.43Å; G45-E71 PolarHBondContact N-O 3.21Å
46	P	94.4	Very high	92.3	Very high	68 Å²	68	62.2 Å²	62.2	44%	0.442	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-61	114.2	-172.5	23.2	-34.5	0	0	0	112.1	D48 R49 M63	P46-D48 VanDerWaalsContact C-N 3.35Å; P46-R49 WeakPolarHBondContact O-CG 3.05Å; P46-M63 HydrophobicContact CG-CE 4.26Å
47	G	92.6	Very high	93.8	Very high	67 Å²	67	57.3 Å²	57.3	69%	0.691	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	71.8	25.1	179.6	0	0	0	0	0	114.2	G45 R49	G45-G47 PolarHBondContact O-N 3.1Å; G45-G47 VanDerWaalsContact O-N 3.1Å; G47-R49 WeakPolarHBondContact O-CG 3.48Å; G47-R49 PolarHBondContact O-N 3.08Å; G47-R49 VanDerWaalsContact O-N 3.11Å
48	D	93.8	Very high	94.8	Very high	111 Å²	111	50.2 Å²	50.2	59%	0.594	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	57	28.7	177.9	-64.9	-54.4	0	0	0	113.5	G45 P46	G45-D48 PolarHBondContact O-N 3.11Å; G45-D48 VanDerWaalsContact O-N 3.09Å; P46-D48 VanDerWaalsContact C-N 3.35Å
49	R	93.2	Very high	95.5	Very high	170 Å²	170	47.3 Å²	47.3	64%	0.642	26%	0.256	S	S	*	.			trans	-86	-12.9	-175.5	-58.9	-175.8	70.2	-139.3	-3.7	113.1	P46 G47 M63	P46-R49 WeakPolarHBondContact O-CG 3.05Å; G47-R49 WeakPolarHBondContact O-CG 3.48Å; G47-R49 PolarHBondContact O-N 3.08Å; G47-R49 VanDerWaalsContact O-N 3.11Å; R49-M63 HydrophobicContact CB-SD 4.08Å
50	G	95.1	Very high	95.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	175.1	177.7	0	0	0	0	0	113.2	S43 C44 C59	S43-G50 VanDerWaalsContact CA-O 3.29Å; S43-G50 WeakPolarHBondContact CA-O 3.38Å; C44-G50 PolarHBondContact N-O 2.81Å; C44-G50 VanDerWaalsContact N-O 3.09Å; C44-G50 WeakPolarHBondContact O-CA 3.48Å; C44-G50 PolarHBondContact O-N 3.09Å; G50-C59 CarbonylContact C-O 3.31Å; G50-C59 WeakPolarHBondContact CA-O 2.93Å
51	R	96.5	Very high	95.5	Very high	98 Å²	98	46.4 Å²	46.4	37%	0.37	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.3	171.6	-65.5	-66.4	176.9	179.5	-7.7	110.1	C41 M42 C44 F53 C59	C41-R51 VanDerWaalsContact O-CD 3.31Å; C41-R51 WeakPolarHBondContact O-CD 3.03Å; C41-R51 PolarHBondContact O-NH1 2.95Å; M42-R51 WeakPolarHBondContact O-CA 3.06Å; C44-R51 PolarHBondContact SG-N 2.79Å; C44-R51 PolarHBondContact SG-O 2.82Å; C44-R51 VanDerWaalsContact SG-O 3.38Å; R51-F53 HydrophobicContact CB-CE2 4.23Å; R51-F53 VanDerWaalsContact O-CD2 3.3Å; R51-F53 WeakPolarHBondContact O-CD2 3.33Å; R51-F53 PolarHBondContact O-N 3.07Å; R51-C59 PolarHBondContact N-O 3.49Å; R51-C59 PolarHBondContact O-N 2.96Å
52	C	97.4	Very high	95.1	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.034	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	122.7	175.8	-63.1	0	0	0	0	110.7	C41 M42 I57 C75 A87	C41-C52 HydrophobicContact CB-CB 4.32Å; C41-C52 WeakPolarHBondContact CB-O 3.01Å; M42-C52 PolarHBondContact O-N 2.02Å; C52-I57 WeakPolarHBondContact CA-O 3.14Å; C52-C75 VanDerWaalsContact CA-SG 3.5Å; C52-C75 HydrophobicContact CB-CB 3.58Å; C52-C75 WeakPolarHBondContact CB-SG 3.03Å; C52-C75 WeakPolarHBondContact SG-CA 3.47Å; C52-C75 WeakPolarHBondContact SG-CB 3.43Å; C52-C75 CovalentContact SG-SG 2.04Å; C52-C75 PolarHBondContact SG-SG 3.14Å; C52-A87 VanDerWaalsContact O-CB 3.28Å; C52-A87 WeakPolarHBondContact O-CB 3.47Å
53	F	96.6	Very high	94.9	Very high	30 Å²	30	48.3 Å²	48.3	13%	0.132	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-15.6	172.5	-76.9	-102.8	0	0	0	112	R51 I57 C59 A87 A99 C105 S107	R51-F53 HydrophobicContact CB-CE2 4.23Å; R51-F53 VanDerWaalsContact O-CD2 3.3Å; R51-F53 WeakPolarHBondContact O-CD2 3.33Å; R51-F53 PolarHBondContact O-N 3.07Å; F53-I57 HydrophobicContact CB-CB 4.41Å; F53-I57 HydrophobicContact CB-CG2 3.92Å; F53-I57 PolarHBondContact N-O 3.17Å; F53-C59 HydrophobicContact CD2-CB 3.68Å; F53-C59 HydrophobicContact CE2-CB 3.73Å; F53-A87 HydrophobicContact CB-CB 4.49Å; F53-A87 HydrophobicContact CD1-CB 3.57Å; F53-A87 HydrophobicContact CD2-CB 3.9Å; F53-A87 HydrophobicContact CE1-CB 3.54Å; F53-A87 HydrophobicContact CE2-CB 3.87Å; F53-A87 HydrophobicContact CG-CB 3.74Å; F53-A87 HydrophobicContact CZ-CB 3.68Å; F53-A99 HydrophobicContact CD1-CB 3.73Å; F53-A99 HydrophobicContact CD2-CB 3.98Å; F53-A99 HydrophobicContact CE1-CB 3.49Å; F53-A99 VanDerWaalsContact CE1-CB 3.49Å; F53-A99 HydrophobicContact CE2-CB 3.78Å; F53-A99 HydrophobicContact CG-CB 3.99Å; F53-A99 VanDerWaalsContact CZ-CA 3.47Å; F53-A99 HydrophobicContact CZ-CB 3.54Å; F53-C105 HydrophobicContact CB-CB 4.3Å; F53-C105 HydrophobicContact CD1-CB 4.3Å; F53-C105 HydrophobicContact CG-CB 4.46Å; F53-S107 WeakPolarHBondContact O-CA 3.31Å
54	G	95.8	Very high	94.8	Very high	11 Å²	11	47.1 Å²	47.1	11%	0.113	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	174.1	177.4	0	0	0	0	0	110.4	N56 I57 C75 S107	G54-N56 PolarHBondContact O-N 3.36Å; G54-I57 PolarHBondContact O-N 2.81Å; G54-I57 VanDerWaalsContact O-N 3.14Å; G54-C75 WeakPolarHBondContact O-CB 3.48Å; G54-S107 WeakPolarHBondContact CA-O 3.4Å
55	P	96.1	Very high	94.8	Very high	30 Å²	30	48.6 Å²	48.6	20%	0.195	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.5	-173.8	24.5	-34.7	0	0	0	114	C75 V76 S107	P55-C75 CarbonylContact O-C 3.39Å; P55-V76 PolarHBondContact O-N 2.04Å; P55-S107 WeakPolarHBondContact CD-O 3.43Å
56	N	96.8	Very high	94.8	Very high	87 Å²	87	51.2 Å²	51.2	47%	0.465	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	25.8	177.1	-62.3	-73.7	0	0	0	112	G54 V67 G68 A72	G54-N56 PolarHBondContact O-N 3.36Å; N56-V67 WeakPolarHBondContact O-CA 3.25Å; N56-G68 PolarHBondContact O-N 3.09Å; N56-A72 WeakPolarHBondContact O-CB 3.26Å
57	I	97.6	Very high	95	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	116.8	-176.4	-56	177.6	0	0	0	109.6	C52 F53 G54 V67	C52-I57 WeakPolarHBondContact CA-O 3.14Å; F53-I57 HydrophobicContact CB-CB 4.41Å; F53-I57 HydrophobicContact CB-CG2 3.92Å; F53-I57 PolarHBondContact N-O 3.17Å; G54-I57 PolarHBondContact O-N 2.81Å; G54-I57 VanDerWaalsContact O-N 3.14Å; I57-V67 HydrophobicContact CG1-CG1 4.24Å; I57-V67 HydrophobicContact CG1-CG2 4.4Å; I57-V67 HydrophobicContact CG2-CG2 4.32Å
58	C	97.7	Very high	95.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.9	174.7	177.9	0	0	0	0	110.3	C44 G45 C65 Y66 A72	C44-C58 HydrophobicContact CB-CB 3.82Å; C44-C58 WeakPolarHBondContact CB-SG 3.28Å; C44-C58 WeakPolarHBondContact SG-CA 3.39Å; C44-C58 WeakPolarHBondContact SG-CB 3.42Å; C44-C58 CovalentContact SG-SG 2.02Å; C44-C58 PolarHBondContact SG-SG 3.38Å; G45-C58 PolarHBondContact N-SG 3.04Å; G45-C58 VanDerWaalsContact N-SG 3.43Å; C58-C65 CarbonylContact O-C 3.52Å; C58-C65 WeakPolarHBondContact O-CA 3.49Å; C58-Y66 PolarHBondContact N-O 3.47Å; C58-Y66 PolarHBondContact O-N 2.04Å; C58-A72 HydrophobicContact CB-CB 3.7Å
59	C	97.4	Very high	95.2	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.007	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	149	180	-61.9	0	0	0	0	112	G50 R51 F53 G64 C65 A99	G50-C59 CarbonylContact C-O 3.31Å; G50-C59 WeakPolarHBondContact CA-O 2.93Å; R51-C59 PolarHBondContact N-O 3.49Å; R51-C59 PolarHBondContact O-N 2.96Å; F53-C59 HydrophobicContact CD2-CB 3.68Å; F53-C59 HydrophobicContact CE2-CB 3.73Å; C59-G64 WeakPolarHBondContact CA-O 3.01Å; C59-C65 HydrophobicContact CB-CB 4.15Å; C59-C65 WeakPolarHBondContact CB-SG 3.05Å; C59-C65 WeakPolarHBondContact SG-CB 3.29Å; C59-C65 CovalentContact SG-SG 2.04Å; C59-C65 PolarHBondContact SG-SG 3.16Å; C59-A99 HydrophobicContact CB-CB 3.51Å; C59-A99 VanDerWaalsContact SG-CB 3.53Å
60	G	94.2	Very high	95.3	Very high	6 Å²	6	44.7 Å²	44.7	6%	0.062	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	151.5	175.4	0	0	0	0	0	112.6	G62 M63 G64	G60-G62 PolarHBondContact O-N 3.19Å; G60-M63 VanDerWaalsContact O-CG 3.26Å; G60-M63 WeakPolarHBondContact O-CG 3.37Å; G60-M63 PolarHBondContact O-N 3.38Å; G60-M63 VanDerWaalsContact O-N 3.14Å; G60-G64 PolarHBondContact N-O 3.29Å; G60-G64 PolarHBondContact O-N 3.18Å; G60-G64 VanDerWaalsContact O-N 3.08Å
61	E	89.5	Confident	95.3	Very high	145 Å²	145	48.2 Å²	48.2	68%	0.678	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	124.9	177.8	-162.1	177.1	171.6	0	0	110.6	M63	E61-M63 PolarHBondContact O-N 3.24Å
62	G	87	Confident	95.3	Very high	75 Å²	75	43.6 Å²	43.6	77%	0.773	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	-7.6	-177.9	0	0	0	0	0	116.2	G60	G60-G62 PolarHBondContact O-N 3.19Å
63	M	91.8	Very high	95.2	Very high	28 Å²	28	45.9 Å²	45.9	14%	0.138	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-12	170.6	61.3	176	-84.7	0	0	113.4	P46 R49 G60 E61 Y66	P46-M63 HydrophobicContact CG-CE 4.26Å; R49-M63 HydrophobicContact CB-SD 4.08Å; G60-M63 VanDerWaalsContact O-CG 3.26Å; G60-M63 WeakPolarHBondContact O-CG 3.37Å; G60-M63 PolarHBondContact O-N 3.38Å; G60-M63 VanDerWaalsContact O-N 3.14Å; E61-M63 PolarHBondContact O-N 3.24Å; M63-Y66 HydrophobicContact CB-CE2 4.34Å; M63-Y66 HydrophobicContact CE-CD2 3.39Å; M63-Y66 HydrophobicContact CE-CE2 3.33Å; M63-Y66 WeakPolarHBondContact O-CE2 3.34Å
64	G	94.1	Very high	95.1	Very high	26 Å²	26	46.9 Å²	46.9	27%	0.268	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	76.7	-149.8	-177.1	0	0	0	0	0	111.6	C59 G60	C59-G64 WeakPolarHBondContact CA-O 3.01Å; G60-G64 PolarHBondContact N-O 3.29Å; G60-G64 PolarHBondContact O-N 3.18Å; G60-G64 VanDerWaalsContact O-N 3.08Å
65	C	97.1	Very high	95.2	Very high	39 Å²	39	46.3 Å²	46.3	26%	0.264	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136	-179.6	-73.5	0	0	0	0	111.3	C58 C59 C105	C58-C65 CarbonylContact O-C 3.52Å; C58-C65 WeakPolarHBondContact O-CA 3.49Å; C59-C65 HydrophobicContact CB-CB 4.15Å; C59-C65 WeakPolarHBondContact CB-SG 3.05Å; C59-C65 WeakPolarHBondContact SG-CB 3.29Å; C59-C65 CovalentContact SG-SG 2.04Å; C59-C65 PolarHBondContact SG-SG 3.16Å; C65-C105 VanDerWaalsContact SG-SG 3.61Å
66	Y	96.8	Very high	95.2	Very high	73 Å²	73	47.6 Å²	47.6	29%	0.286	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	113.2	176.5	-71.8	-91.1	0	0	0	107.7	C58 M63 S69 E71	C58-Y66 PolarHBondContact N-O 3.47Å; C58-Y66 PolarHBondContact O-N 2.04Å; M63-Y66 HydrophobicContact CB-CE2 4.34Å; M63-Y66 HydrophobicContact CE-CD2 3.39Å; M63-Y66 HydrophobicContact CE-CE2 3.33Å; M63-Y66 WeakPolarHBondContact O-CE2 3.34Å; Y66-S69 WeakPolarHBondContact CB-OG 3.41Å; Y66-E71 HydrophobicContact CD1-CB 3.9Å; Y66-E71 HydrophobicContact CD1-CG 3.82Å; Y66-E71 HydrophobicContact CE1-CG 3.98Å; Y66-E71 HydrophobicContact CG-CB 3.92Å; Y66-E71 HydrophobicContact CG-CG 4.29Å
67	V	97	Very high	95.2	Very high	80 Å²	80	48.4 Å²	48.4	49%	0.485	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123	-175.9	-177.4	0	0	0	0	108.8	N56 I57 S69	N56-V67 WeakPolarHBondContact O-CA 3.25Å; I57-V67 HydrophobicContact CG1-CG1 4.24Å; I57-V67 HydrophobicContact CG1-CG2 4.4Å; I57-V67 HydrophobicContact CG2-CG2 4.32Å; V67-S69 PolarHBondContact O-N 2.98Å
68	G	95.5	Very high	95.1	Very high	66 Å²	66	49.4 Å²	49.4	68%	0.68	32%	0.323	S	S	*	.	S	Bend	trans	64.4	23.8	-179.5	0	0	0	0	0	114.2	N56	N56-G68 PolarHBondContact O-N 3.09Å
69	S	95.4	Very high	94.9	Very high	29 Å²	29	54.4 Å²	54.4	20%	0.203	35%	0.35	C	S	.	.	S	Bend	trans	-110.1	164	-176.7	88.3	0	0	0	0	111	Y66 V67 E71 A72 A73	Y66-S69 WeakPolarHBondContact CB-OG 3.41Å; V67-S69 PolarHBondContact O-N 2.98Å; S69-E71 WeakPolarHBondContact CB-OE2 3.41Å; S69-E71 PolarHBondContact O-N 3.4Å; S69-E71 PolarHBondContact OG-N 3.4Å; S69-E71 PolarHBondContact OG-OE2 3.37Å; S69-A72 PolarHBondContact O-N 3.18Å; S69-A73 PolarHBondContact O-N 2.05Å
70	P	95.4	Very high	94.7	Very high	105 Å²	105	62.1 Å²	62.1	68%	0.682	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-62.1	-27.1	-180	24.9	-33.2	0	0	0	112.8	A72 A73	P70-A72 PolarHBondContact O-N 3.23Å; P70-A73 WeakPolarHBondContact O-CB 3.41Å; P70-A73 PolarHBondContact O-N 2.86Å
71	E	96.1	Very high	94.6	Very high	75 Å²	75	65 Å²	65	35%	0.35	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-62.8	-26.2	175.2	-64.3	74.6	-152.6	0	0	113	G45 Y66 S69	G45-E71 PolarHBondContact N-O 3.21Å; Y66-E71 HydrophobicContact CD1-CB 3.9Å; Y66-E71 HydrophobicContact CD1-CG 3.82Å; Y66-E71 HydrophobicContact CE1-CG 3.98Å; Y66-E71 HydrophobicContact CG-CB 3.92Å; Y66-E71 HydrophobicContact CG-CG 4.29Å; S69-E71 WeakPolarHBondContact CB-OE2 3.41Å; S69-E71 PolarHBondContact O-N 3.4Å; S69-E71 PolarHBondContact OG-N 3.4Å; S69-E71 PolarHBondContact OG-OE2 3.37Å
72	A	96.9	Very high	94.5	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-101.1	-5.6	179.2	0	0	0	0	0	113.7	N56 C58 S69 P70 G74 C75	N56-A72 WeakPolarHBondContact O-CB 3.26Å; C58-A72 HydrophobicContact CB-CB 3.7Å; S69-A72 PolarHBondContact O-N 3.18Å; P70-A72 PolarHBondContact O-N 3.23Å; A72-G74 PolarHBondContact O-N 3.08Å; A72-G74 VanDerWaalsContact O-N 3.16Å; A72-C75 VanDerWaalsContact O-CB 3.28Å; A72-C75 WeakPolarHBondContact O-CB 3.04Å; A72-C75 PolarHBondContact O-N 3.44Å
73	A	95	Very high	94.5	Very high	54 Å²	54	63.3 Å²	63.3	45%	0.446	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-60.6	-29.2	-174.6	0	0	0	0	0	113.5	S69 P70 C75 V76	S69-A73 PolarHBondContact O-N 2.05Å; P70-A73 WeakPolarHBondContact O-CB 3.41Å; P70-A73 PolarHBondContact O-N 2.86Å; A73-C75 PolarHBondContact O-N 3.3Å; A73-V76 WeakPolarHBondContact O-CG1 3.45Å
74	G	94.7	Very high	94.4	Very high	50 Å²	50	66.1 Å²	66.1	52%	0.515	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-69.7	-17.4	176.2	0	0	0	0	0	114.2	A72 V76 E77	A72-G74 PolarHBondContact O-N 3.08Å; A72-G74 VanDerWaalsContact O-N 3.16Å; G74-V76 PolarHBondContact O-N 3.25Å; G74-E77 VanDerWaalsContact O-CB 3.31Å; G74-E77 WeakPolarHBondContact O-CB 3.42Å; G74-E77 PolarHBondContact O-N 3.2Å
75	C	97.1	Very high	94.3	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-70.8	-18.6	-176.4	-66	0	0	0	0	113.7	C52 G54 P55 A72 A73 E77 E78	C52-C75 VanDerWaalsContact CA-SG 3.5Å; C52-C75 HydrophobicContact CB-CB 3.58Å; C52-C75 WeakPolarHBondContact CB-SG 3.03Å; C52-C75 WeakPolarHBondContact SG-CA 3.47Å; C52-C75 WeakPolarHBondContact SG-CB 3.43Å; C52-C75 CovalentContact SG-SG 2.04Å; C52-C75 PolarHBondContact SG-SG 3.14Å; G54-C75 WeakPolarHBondContact O-CB 3.48Å; P55-C75 CarbonylContact O-C 3.39Å; A72-C75 VanDerWaalsContact O-CB 3.28Å; A72-C75 WeakPolarHBondContact O-CB 3.04Å; A72-C75 PolarHBondContact O-N 3.44Å; A73-C75 PolarHBondContact O-N 3.3Å; C75-E77 PolarHBondContact O-N 2.81Å; C75-E78 WeakPolarHBondContact O-CB 3.18Å; C75-E78 PolarHBondContact O-N 3.22Å; C75-E78 VanDerWaalsContact O-N 3.16Å
76	V	96.6	Very high	94.1	Very high	56 Å²	56	70.4 Å²	70.4	34%	0.339	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-62.2	-26.5	173.2	73.4	0	0	0	0	112.1	P55 A73 G74 E78 N79	P55-V76 PolarHBondContact O-N 2.04Å; A73-V76 WeakPolarHBondContact O-CG1 3.45Å; G74-V76 PolarHBondContact O-N 3.25Å; V76-E78 PolarHBondContact O-N 2.61Å; V76-N79 WeakPolarHBondContact O-CB 3.43Å; V76-N79 PolarHBondContact O-N 3.5Å; V76-N79 VanDerWaalsContact O-N 3.14Å; V76-N79 PolarHBondContact O-ND2 2.82Å
77	E	95.6	Very high	93.6	Very high	105 Å²	105	67.8 Å²	67.8	49%	0.491	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-64.1	-23.5	179.7	-176.2	66.7	-168.3	0	0	111.8	M42 G74 C75 N79 Y80	M42-E77 HydrophobicContact CE-CB 3.68Å; M42-E77 HydrophobicContact CE-CG 4.11Å; M42-E77 HydrophobicContact SD-CG 4.39Å; G74-E77 VanDerWaalsContact O-CB 3.31Å; G74-E77 WeakPolarHBondContact O-CB 3.42Å; G74-E77 PolarHBondContact O-N 3.2Å; C75-E77 PolarHBondContact O-N 2.81Å; E77-N79 PolarHBondContact O-N 3.28Å; E77-Y80 PolarHBondContact O-N 3.31Å; E77-Y80 VanDerWaalsContact O-N 3.08Å; E77-Y80 WeakPolarHBondContact OE2-CD2 3.13Å
78	E	95.4	Very high	93.1	Very high	24 Å²	24	65 Å²	65	11%	0.112	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-59.5	-31.5	176.9	-159	70.3	-123.1	0	0	111.7	R39 M42 C75 V76 Y80 L81 C85	R39-E78 IonicContact CZ-OE1 3.01Å; R39-E78 IonicContact NH1-OE1 2.62Å; R39-E78 PolarHBondContact NH1-OE1 2.81Å; R39-E78 IonicContact NH1-OE2 3.96Å; R39-E78 IonicContact NH2-OE1 2.61Å; R39-E78 PolarHBondContact NH2-OE1 2.93Å; M42-E78 WeakPolarHBondContact CB-OE2 3.01Å; M42-E78 HydrophobicContact CE-CB 3.95Å; M42-E78 VanDerWaalsContact CE-N 3.28Å; M42-E78 WeakPolarHBondContact CE-OE2 3.28Å; M42-E78 VanDerWaalsContact CG-OE2 3.28Å; M42-E78 WeakPolarHBondContact CG-OE2 3.3Å; M42-E78 PolarHBondContact N-OE2 2.82Å; C75-E78 WeakPolarHBondContact O-CB 3.18Å; C75-E78 PolarHBondContact O-N 3.22Å; C75-E78 VanDerWaalsContact O-N 3.16Å; V76-E78 PolarHBondContact O-N 2.61Å; E78-Y80 PolarHBondContact O-N 2.83Å; E78-L81 PolarHBondContact O-N 2.62Å; E78-C85 VanDerWaalsContact CG-SG 3.54Å; E78-C85 PolarHBondContact OE1-SG 3.05Å
79	N	93.8	Very high	92.8	Very high	106 Å²	106	64.5 Å²	64.5	57%	0.567	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-68.3	-21.3	179.3	-66.1	-37.8	0	0	0	113.6	V76 E77	V76-N79 WeakPolarHBondContact O-CB 3.43Å; V76-N79 PolarHBondContact O-N 3.5Å; V76-N79 VanDerWaalsContact O-N 3.14Å; V76-N79 PolarHBondContact O-ND2 2.82Å; E77-N79 PolarHBondContact O-N 3.28Å
80	Y	94.3	Very high	92.6	Very high	163 Å²	163	68.7 Å²	68.7	64%	0.639	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-91.7	-9.8	-180	-55.2	-63.8	0	0	0	112.3	E77 E78	E77-Y80 PolarHBondContact O-N 3.31Å; E77-Y80 VanDerWaalsContact O-N 3.08Å; E77-Y80 WeakPolarHBondContact OE2-CD2 3.13Å; E78-Y80 PolarHBondContact O-N 2.83Å
81	L	90.9	Very high	92.6	Very high	65 Å²	65	70.1 Å²	70.1	34%	0.34	41%	0.41	S	S	.	.			trans	-82.3	124.2	178.7	-69.6	168.4	0	0	0	110.4	R39 M42 E78 S83	R39-L81 VanDerWaalsContact NH2-CD1 3.29Å; M42-L81 HydrophobicContact CE-CD1 4.42Å; M42-L81 HydrophobicContact CG-CD1 4.36Å; M42-L81 HydrophobicContact SD-CD1 3.98Å; E78-L81 PolarHBondContact O-N 2.62Å; L81-S83 PolarHBondContact O-N 3.23Å
82	P	87.8	Confident	92.5	Very high	132 Å²	132	67.1 Å²	67.1	86%	0.857	40%	0.397	S	S	*	.	S	Bend	trans	-73.9	-13.5	-177.6	29.4	-35.7	0	0	0	113.5
83	S	87.7	Confident	92.2	Very high	54 Å²	54	70.6 Å²	70.6	38%	0.378	43%	0.433	S	S	.	.	S	Bend	trans	-93	129.5	178.8	49.9	0	0	0	0	110.8	R39 L81	R39-S83 PolarHBondContact NE-O 3.24Å; R39-S83 PolarHBondContact NE-OG 2.02Å; R39-S83 PolarHBondContact NH2-O 3.44Å; L81-S83 PolarHBondContact O-N 3.23Å
84	P	89.3	Confident	91.8	Very high	86 Å²	86	74 Å²	74	56%	0.558	45%	0.453	S	S	*	.			trans	-66.1	145.2	179.7	28.9	-35.1	0	0	0	110.8	R39	R39-P84 WeakPolarHBondContact CG-O 3.31Å; R39-P84 PolarHBondContact N-O 3.09Å
85	C	92.8	Very high	91.5	Very high	38 Å²	38	80 Å²	80	26%	0.257	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	159.3	176.7	81.3	0	0	0	0	111.9	R39 C41 E78	R39-C85 HydrophobicContact CG-CB 3.97Å; R39-C85 CarbonylContact O-C 3.42Å; R39-C85 WeakPolarHBondContact O-CA 2.99Å; R39-C85 WeakPolarHBondContact O-CB 3.34Å; C41-C85 VanDerWaalsContact CA-SG 3.5Å; C41-C85 HydrophobicContact CB-CB 3.89Å; C41-C85 WeakPolarHBondContact CB-SG 3.45Å; C41-C85 WeakPolarHBondContact SG-CB 2.95Å; C41-C85 CovalentContact SG-SG 2.05Å; C41-C85 PolarHBondContact SG-SG 2.96Å; E78-C85 VanDerWaalsContact CG-SG 3.54Å; E78-C85 PolarHBondContact OE1-SG 3.05Å
86	E	91.2	Very high	91.4	Very high	118 Å²	118	80.4 Å²	80.4	55%	0.551	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.9	129	171.6	-157.1	161.9	120.4	0	0	109.3	P38 R39 Q40 C41 G88	P38-E86 HydrophobicContact CB-CB 4.14Å; P38-E86 HydrophobicContact CG-CB 4.34Å; R39-E86 PolarHBondContact O-N 2.8Å; Q40-E86 WeakPolarHBondContact CA-O 3.29Å; Q40-E86 PolarHBondContact NE2-O 3.11Å; C41-E86 PolarHBondContact N-O 2.85Å; C41-E86 PolarHBondContact SG-N 2.95Å; C41-E86 VanDerWaalsContact SG-N 3.44Å; E86-G88 PolarHBondContact O-N 3.48Å
87	A	86.2	Confident	91.3	Very high	18 Å²	18	79.3 Å²	79.3	15%	0.149	47%	0.467	C	S	.	.			trans	-69.4	-22.3	-179.8	0	0	0	0	0	111.7	Q40 C41 C52 F53	Q40-A87 VanDerWaalsContact NE2-C 3.27Å; Q40-A87 PolarHBondContact NE2-O 3.46Å; C41-A87 PolarHBondContact SG-N 3.5Å; C41-A87 VanDerWaalsContact SG-N 3.4Å; C52-A87 VanDerWaalsContact O-CB 3.28Å; C52-A87 WeakPolarHBondContact O-CB 3.47Å; F53-A87 HydrophobicContact CB-CB 4.49Å; F53-A87 HydrophobicContact CD1-CB 3.57Å; F53-A87 HydrophobicContact CD2-CB 3.9Å; F53-A87 HydrophobicContact CE1-CB 3.54Å; F53-A87 HydrophobicContact CE2-CB 3.87Å; F53-A87 HydrophobicContact CG-CB 3.74Å; F53-A87 HydrophobicContact CZ-CB 3.68Å
88	G	87.3	Confident	91.3	Very high	20 Å²	20	75.4 Å²	75.4	21%	0.206	45%	0.451	C	S	.	.			trans	85	-173.4	-173.9	0	0	0	0	0	112.1	E86 S97	E86-G88 PolarHBondContact O-N 3.48Å; G88-S97 WeakPolarHBondContact O-CB 3.5Å
89	G	89.3	Confident	91.3	Very high	57 Å²	57	74.7 Å²	74.7	59%	0.588	45%	0.449	S	S	*	.	S	Bend	trans	98.2	165.6	-174.7	0	0	0	0	0	112.6
90	R	91.9	Very high	91.4	Very high	117 Å²	117	70.3 Å²	70.3	44%	0.442	43%	0.427	S	S	.	.			trans	-79.6	143.6	172.6	-61.4	-171.7	-56	-171.1	2.9	108.8	S97 C98 D115	R90-S97 CarbonylContact O-C 3.44Å; R90-S97 WeakPolarHBondContact O-CA 3.09Å; R90-C98 PolarHBondContact O-N 2.77Å; R90-D115 PolarHBondContact NH2-O 3.33Å
91	V	93.9	Very high	91.3	Very high	135 Å²	135	65.8 Å²	65.8	82%	0.818	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.6	139.6	172.9	-62.6	0	0	0	0	110.8	G96	V91-G96 WeakPolarHBondContact CA-O 3.37Å
92	C	94.4	Very high	91.5	Very high	11 Å²	11	63.1 Å²	63.1	7%	0.074	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	152.9	176.4	53.9	0	0	0	0	109.2	G96 S97 C98 C104 C116	C92-G96 PolarHBondContact N-O 3.47Å; C92-G96 CarbonylContact O-C 3.53Å; C92-G96 VanDerWaalsContact O-CA 3.29Å; C92-G96 WeakPolarHBondContact O-CA 3.49Å; C92-G96 PolarHBondContact O-N 2.87Å; C92-G96 VanDerWaalsContact O-N 3.08Å; C92-G96 VanDerWaalsContact O-O 3.11Å; C92-S97 VanDerWaalsContact SG-CA 3.6Å; C92-C98 PolarHBondContact SG-N 3.35Å; C92-C98 VanDerWaalsContact SG-N 3.36Å; C92-C104 VanDerWaalsContact C-SG 3.57Å; C92-C104 HydrophobicContact CB-CB 3.86Å; C92-C104 WeakPolarHBondContact CB-SG 3.42Å; C92-C104 WeakPolarHBondContact SG-CA 3.44Å; C92-C104 WeakPolarHBondContact SG-CB 3.45Å; C92-C104 CovalentContact SG-SG 2.02Å; C92-C104 PolarHBondContact SG-SG 3.36Å; C92-C116 VanDerWaalsContact SG-SG 3.6Å
93	G	90.1	Very high	91.9	Very high	74 Å²	74	57.9 Å²	57.9	76%	0.763	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-143.6	-173.8	0	0	0	0	0	113.1
94	S	87.3	Confident	92.3	Very high	125 Å²	125	55.7 Å²	55.7	87%	0.874	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-46.8	178.6	53.6	0	0	0	0	113.1
95	E	89.8	Confident	92.6	Very high	177 Å²	177	51.8 Å²	51.8	83%	0.827	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.7	16.4	-173.5	-50.8	-138.8	112	0	0	112.4
96	G	93.7	Very high	92.7	Very high	8 Å²	8	52.8 Å²	52.8	8%	0.082	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	165.8	-176.4	0	0	0	0	0	113.6	V91 C92 C105	V91-G96 WeakPolarHBondContact CA-O 3.37Å; C92-G96 PolarHBondContact N-O 3.47Å; C92-G96 CarbonylContact O-C 3.53Å; C92-G96 VanDerWaalsContact O-CA 3.29Å; C92-G96 WeakPolarHBondContact O-CA 3.49Å; C92-G96 PolarHBondContact O-N 2.87Å; C92-G96 VanDerWaalsContact O-N 3.08Å; C92-G96 VanDerWaalsContact O-O 3.11Å; G96-C105 CarbonylContact C-O 3.44Å; G96-C105 VanDerWaalsContact CA-O 3.25Å; G96-C105 WeakPolarHBondContact CA-O 3.28Å
97	S	95.1	Very high	92.8	Very high	32 Å²	32	50.2 Å²	50.2	22%	0.224	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.2	171.9	-62.1	0	0	0	0	110.9	G88 R90 C92 A99 C105	G88-S97 WeakPolarHBondContact O-CB 3.5Å; R90-S97 CarbonylContact O-C 3.44Å; R90-S97 WeakPolarHBondContact O-CA 3.09Å; C92-S97 VanDerWaalsContact SG-CA 3.6Å; S97-A99 PolarHBondContact O-N 2.9Å; S97-C105 PolarHBondContact N-O 3.39Å; S97-C105 PolarHBondContact O-N 3.25Å
98	C	95.7	Very high	93.2	Very high	23 Å²	23	56.4 Å²	56.4	16%	0.155	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	110.3	176.7	-65.9	0	0	0	0	109.8	R90 C92 V103 C116	R90-C98 PolarHBondContact O-N 2.77Å; C92-C98 PolarHBondContact SG-N 3.35Å; C92-C98 VanDerWaalsContact SG-N 3.36Å; C98-V103 WeakPolarHBondContact CA-O 3.09Å; C98-C116 WeakPolarHBondContact CA-SG 3.15Å; C98-C116 HydrophobicContact CB-CB 3.64Å; C98-C116 WeakPolarHBondContact CB-SG 3.43Å; C98-C116 WeakPolarHBondContact SG-CA 3.2Å; C98-C116 WeakPolarHBondContact SG-CB 3.41Å; C98-C116 CovalentContact SG-SG 2.04Å; C98-C116 PolarHBondContact SG-SG 3.45Å
99	A	95.6	Very high	93.5	Very high	10 Å²	10	57.9 Å²	57.9	8%	0.083	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-27.3	-168.9	0	0	0	0	0	112.8	F53 C59 S97 V103 C105	F53-A99 HydrophobicContact CD1-CB 3.73Å; F53-A99 HydrophobicContact CD2-CB 3.98Å; F53-A99 HydrophobicContact CE1-CB 3.49Å; F53-A99 VanDerWaalsContact CE1-CB 3.49Å; F53-A99 HydrophobicContact CE2-CB 3.78Å; F53-A99 HydrophobicContact CG-CB 3.99Å; F53-A99 VanDerWaalsContact CZ-CA 3.47Å; F53-A99 HydrophobicContact CZ-CB 3.54Å; C59-A99 HydrophobicContact CB-CB 3.51Å; C59-A99 VanDerWaalsContact SG-CB 3.53Å; S97-A99 PolarHBondContact O-N 2.9Å; A99-V103 PolarHBondContact N-O 3.46Å; A99-C105 HydrophobicContact CB-CB 3.88Å; A99-C105 VanDerWaalsContact CB-SG 3.51Å
100	A	94.8	Very high	93.9	Very high	13 Å²	13	57 Å²	57	11%	0.107	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	173.5	172	0	0	0	0	0	109.5	G102 V103	A100-G102 PolarHBondContact O-N 3.4Å; A100-V103 HydrophobicContact CB-CB 4.26Å; A100-V103 HydrophobicContact CB-CG2 4.28Å; A100-V103 PolarHBondContact O-N 3.41Å
101	S	93.6	Very high	94.1	Very high	69 Å²	69	55.4 Å²	55.4	48%	0.483	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	113	179.1	-53.1	0	0	0	0	111.2	V103	S101-V103 VanDerWaalsContact C-N 3.33Å
102	G	94.3	Very high	94.1	Very high	9 Å²	9	56.3 Å²	56.3	9%	0.093	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	16.1	-179.8	0	0	0	0	0	115	A100 L112 D113 C116	A100-G102 PolarHBondContact O-N 3.4Å; G102-L112 WeakPolarHBondContact O-CA 3.42Å; G102-D113 CarbonylContact C-O 3.59Å; G102-D113 VanDerWaalsContact C-O 3.31Å; G102-D113 VanDerWaalsContact CA-O 3.28Å; G102-D113 WeakPolarHBondContact CA-O 3.48Å; G102-D113 PolarHBondContact O-N 3.03Å; G102-C116 VanDerWaalsContact N-C 3.33Å; G102-C116 PolarHBondContact N-O 2.95Å
103	V	95.6	Very high	94.2	Very high	22 Å²	22	57 Å²	57	13%	0.133	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121.2	-179.4	-171.3	0	0	0	0	110.5	C98 A99 A100 S101 C110 L112	C98-V103 WeakPolarHBondContact CA-O 3.09Å; A99-V103 PolarHBondContact N-O 3.46Å; A100-V103 HydrophobicContact CB-CB 4.26Å; A100-V103 HydrophobicContact CB-CG2 4.28Å; A100-V103 PolarHBondContact O-N 3.41Å; S101-V103 VanDerWaalsContact C-N 3.33Å; V103-C110 HydrophobicContact CG1-CB 3.9Å; V103-L112 HydrophobicContact CG2-CD2 4.08Å
104	C	96.3	Very high	94.2	Very high	8 Å²	8	57.8 Å²	57.8	5%	0.054	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128.4	171.5	-175.3	0	0	0	0	109.4	C92 C110 V111 D113	C92-C104 VanDerWaalsContact C-SG 3.57Å; C92-C104 HydrophobicContact CB-CB 3.86Å; C92-C104 WeakPolarHBondContact CB-SG 3.42Å; C92-C104 WeakPolarHBondContact SG-CA 3.44Å; C92-C104 WeakPolarHBondContact SG-CB 3.45Å; C92-C104 CovalentContact SG-SG 2.02Å; C92-C104 PolarHBondContact SG-SG 3.36Å; C104-C110 CarbonylContact O-C 3.57Å; C104-C110 VanDerWaalsContact O-CA 3.3Å; C104-C110 WeakPolarHBondContact O-CA 3.33Å; C104-V111 HydrophobicContact CB-CG2 4.12Å; C104-V111 PolarHBondContact N-O 3.16Å; C104-V111 PolarHBondContact O-N 3.04Å; C104-D113 HydrophobicContact CB-CB 3.6Å
105	C	96.8	Very high	94.4	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.02	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.7	177.7	-59.6	0	0	0	0	111.9	F53 C65 G96 S97 A99 S109 C110	F53-C105 HydrophobicContact CB-CB 4.3Å; F53-C105 HydrophobicContact CD1-CB 4.3Å; F53-C105 HydrophobicContact CG-CB 4.46Å; C65-C105 VanDerWaalsContact SG-SG 3.61Å; G96-C105 CarbonylContact C-O 3.44Å; G96-C105 VanDerWaalsContact CA-O 3.25Å; G96-C105 WeakPolarHBondContact CA-O 3.28Å; S97-C105 PolarHBondContact N-O 3.39Å; S97-C105 PolarHBondContact O-N 3.25Å; A99-C105 HydrophobicContact CB-CB 3.88Å; A99-C105 VanDerWaalsContact CB-SG 3.51Å; C105-S109 WeakPolarHBondContact CA-O 3.1Å; C105-C110 HydrophobicContact CB-CB 4.09Å; C105-C110 WeakPolarHBondContact CB-SG 3.4Å; C105-C110 WeakPolarHBondContact SG-CB 3.3Å; C105-C110 CovalentContact SG-SG 2.03Å; C105-C110 PolarHBondContact SG-SG 3.44Å
106	D	94.8	Very high	94.6	Very high	60 Å²	60	49.4 Å²	49.4	32%	0.321	30%	0.297	S	S	.	.			trans	-102.4	-169	161	61.1	52.3	0	0	0	109.8	E108 S109	D106-E108 PolarHBondContact O-N 2.97Å; D106-E108 WeakPolarHBondContact OD1-CA 3.4Å; D106-E108 PolarHBondContact OD1-N 3.46Å; D106-S109 PolarHBondContact N-O 3.12Å; D106-S109 PolarHBondContact OD1-N 2.99Å; D106-S109 PolarHBondContact OD2-OG 2.97Å
107	S	93.4	Very high	94.5	Very high	64 Å²	64	53.5 Å²	53.5	45%	0.448	32%	0.316	S	S	.	.	S	Bend	trans	-69	-21.3	-178.9	64.7	0	0	0	0	114	F53 G54 P55	F53-S107 WeakPolarHBondContact O-CA 3.31Å; G54-S107 WeakPolarHBondContact CA-O 3.4Å; P55-S107 WeakPolarHBondContact CD-O 3.43Å
108	E	93.4	Very high	93.4	Very high	147 Å²	147	57.2 Å²	57.2	69%	0.687	33%	0.33	S	S	*	.	S	Bend	trans	-109.3	-32.5	-171.4	-54.5	-55.8	119.4	0	0	112.5	D106	D106-E108 PolarHBondContact O-N 2.97Å; D106-E108 WeakPolarHBondContact OD1-CA 3.4Å; D106-E108 PolarHBondContact OD1-N 3.46Å
109	S	94.8	Very high	91.5	Very high	52 Å²	52	63.3 Å²	63.3	36%	0.364	36%	0.361	S	S	.	.			trans	-151.1	164.3	-170.8	76.3	0	0	0	0	114.1	C105 D106	C105-S109 WeakPolarHBondContact CA-O 3.1Å; D106-S109 PolarHBondContact N-O 3.12Å; D106-S109 PolarHBondContact OD1-N 2.99Å; D106-S109 PolarHBondContact OD2-OG 2.97Å
110	C	96.4	Very high	89.5	Confident	38 Å²	38	67.9 Å²	67.9	26%	0.257	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.9	173.5	-63.6	0	0	0	0	110.1	V103 C104 C105	V103-C110 HydrophobicContact CG1-CB 3.9Å; C104-C110 CarbonylContact O-C 3.57Å; C104-C110 VanDerWaalsContact O-CA 3.3Å; C104-C110 WeakPolarHBondContact O-CA 3.33Å; C105-C110 HydrophobicContact CB-CB 4.09Å; C105-C110 WeakPolarHBondContact CB-SG 3.4Å; C105-C110 WeakPolarHBondContact SG-CB 3.3Å; C105-C110 CovalentContact SG-SG 2.03Å; C105-C110 PolarHBondContact SG-SG 3.44Å
111	V	96.3	Very high	87.4	Confident	83 Å²	83	75.3 Å²	75.3	50%	0.503	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	151.8	176.4	-62.6	0	0	0	0	110	C104 D113	C104-V111 HydrophobicContact CB-CG2 4.12Å; C104-V111 PolarHBondContact N-O 3.16Å; C104-V111 PolarHBondContact O-N 3.04Å; V111-D113 PolarHBondContact O-N 3.37Å
112	L	95.2	Very high	85.2	Confident	154 Å²	154	82.5 Å²	82.5	81%	0.806	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	126.4	171.2	-62.4	179.2	0	0	0	108.6	G102 V103	G102-L112 WeakPolarHBondContact O-CA 3.42Å; V103-L112 HydrophobicContact CG2-CD2 4.08Å
113	D	94.6	Very high	82.9	Confident	26 Å²	26	87.3 Å²	87.3	14%	0.139	46%	0.459	C	S	.	.			trans	-135.7	114.2	-179.3	-168.6	-23.1	0	0	0	109.3	G102 C104 V111 D115 C116	G102-D113 CarbonylContact C-O 3.59Å; G102-D113 VanDerWaalsContact C-O 3.31Å; G102-D113 VanDerWaalsContact CA-O 3.28Å; G102-D113 WeakPolarHBondContact CA-O 3.48Å; G102-D113 PolarHBondContact O-N 3.03Å; C104-D113 HydrophobicContact CB-CB 3.6Å; V111-D113 PolarHBondContact O-N 3.37Å; D113-D115 PolarHBondContact O-N 3.32Å; D113-D115 VanDerWaalsContact OD1-CB 3.31Å; D113-D115 WeakPolarHBondContact OD1-CB 3.45Å; D113-D115 PolarHBondContact OD1-N 2.93Å; D113-C116 WeakPolarHBondContact O-CB 3.03Å; D113-C116 PolarHBondContact O-N 3.26Å
114	P	91.9	Very high	80.3	Confident	91 Å²	91	90.4 Å²	90.4	59%	0.591	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-62.4	-22.9	178.8	28	-35.3	0	0	0	112.8	C116 L117	P114-C116 PolarHBondContact O-N 3.42Å; P114-L117 HydrophobicContact CB-CD1 4.27Å; P114-L117 VanDerWaalsContact O-CB 3.28Å; P114-L117 WeakPolarHBondContact O-CB 3.48Å; P114-L117 PolarHBondContact O-N 3.02Å
115	D	91.4	Very high	78	Confident	120 Å²	120	96 Å²	96	64%	0.642	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-68.4	-18.4	176.8	-65.6	-21.9	0	0	0	112	R90 D113 L117	R90-D115 PolarHBondContact NH2-O 3.33Å; D113-D115 PolarHBondContact O-N 3.32Å; D113-D115 VanDerWaalsContact OD1-CB 3.31Å; D113-D115 WeakPolarHBondContact OD1-CB 3.45Å; D113-D115 PolarHBondContact OD1-N 2.93Å; D115-L117 VanDerWaalsContact C-N 3.35Å
116	C	93.1	Very high	75.7	Confident	6 Å²	6	101 Å²	101	4%	0.041	55%	0.553	C	S	.	*	G	3₁₀ helix	trans	-88.1	1.4	172.4	-66	0	0	0	0	113.6	C92 C98 G102 D113 P114 E118	C92-C116 VanDerWaalsContact SG-SG 3.6Å; C98-C116 WeakPolarHBondContact CA-SG 3.15Å; C98-C116 HydrophobicContact CB-CB 3.64Å; C98-C116 WeakPolarHBondContact CB-SG 3.43Å; C98-C116 WeakPolarHBondContact SG-CA 3.2Å; C98-C116 WeakPolarHBondContact SG-CB 3.41Å; C98-C116 CovalentContact SG-SG 2.04Å; C98-C116 PolarHBondContact SG-SG 3.45Å; G102-C116 VanDerWaalsContact N-C 3.33Å; G102-C116 PolarHBondContact N-O 2.95Å; D113-C116 WeakPolarHBondContact O-CB 3.03Å; D113-C116 PolarHBondContact O-N 3.26Å; P114-C116 PolarHBondContact O-N 3.42Å; C116-E118 PolarHBondContact O-N 3.47Å
117	L	91.6	Very high	73.5	Confident	94 Å²	94	106.8 Å²	106.8	49%	0.492	58%	0.575	S	S	.	*	S	Bend	trans	-71.1	125.6	167	-66	168.5	0	0	0	108.4	P114 D115 D119	P114-L117 HydrophobicContact CB-CD1 4.27Å; P114-L117 VanDerWaalsContact O-CB 3.28Å; P114-L117 WeakPolarHBondContact O-CB 3.48Å; P114-L117 PolarHBondContact O-N 3.02Å; D115-L117 VanDerWaalsContact C-N 3.35Å; L117-D119 PolarHBondContact O-N 3.03Å
118	E	71.9	Confident	71.4	Confident	110 Å²	110	108.7 Å²	108.7	51%	0.514	58%	0.577	S	S	.	*			trans	-65.6	96.4	171	-92.3	-95	124.4	0	0	108.8	C116 S120	C116-E118 PolarHBondContact O-N 3.47Å; E118-S120 PolarHBondContact O-N 3.02Å
119	D	56.4	Low	69.3	Low	150 Å²	150	108.3 Å²	108.3	80%	0.802	58%	0.58	S	S	*	*			trans	-67.2	93.9	142.7	-74.7	-48.6	0	0	0	105.5	L117 K121	L117-D119 PolarHBondContact O-N 3.03Å; D119-K121 PolarHBondContact O-N 3.33Å
120	S	52.2	Low	67.1	Low	107 Å²	107	109.7 Å²	109.7	75%	0.748	59%	0.594	S	S	*	*	S	Bend	trans	-26.8	120.3	-179.4	-78.8	0	0	0	0	112.3	E118	E118-S120 PolarHBondContact O-N 3.02Å
121	K	50.6	Low	65	Low	169 Å²	169	111.6 Å²	111.6	74%	0.735	61%	0.613	S	S	*	*			trans	91.2	87.8	165.3	-159	-173.2	-174.1	-164.7	0	116.5	D119	D119-K121 PolarHBondContact O-N 3.33Å
122	R	49.3	Very low	62.9	Low	219 Å²	219	114.7 Å²	114.7	83%	0.826	63%	0.626	S	S	*	*			trans	-133.1	86.3	137.2	-70.1	-164.2	-175.4	-142.2	3	111.9
123	Q	44.3	Very low	60.6	Low	110 Å²	110	115.1 Å²	115.1	51%	0.514	63%	0.626	S	S	.	*			trans	39	101.3	134.4	-146.7	88.4	42.1	0	0	116.7	P125	Q123-P125 WeakPolarHBondContact O-CD 3.44Å
124	S	42.5	Very low	58.4	Low	88 Å²	88	116.3 Å²	116.3	62%	0.615	64%	0.644	S	S	*	*			trans	-59.5	124.6	151.2	55.3	0	0	0	0	108.9	S126	S124-S126 PolarHBondContact O-N 2.97Å
125	P	46.3	Very low	56.4	Low	125 Å²	125	114 Å²	114	81%	0.812	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	46.4	179.7	33.4	-33.6	0	0	0	111.4	Q123	Q123-P125 WeakPolarHBondContact O-CD 3.44Å
126	S	49.8	Very low	54.6	Low	107 Å²	107	115 Å²	115	75%	0.748	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.9	-1.2	-177.9	-156.8	0	0	0	0	115	S124	S124-S126 PolarHBondContact O-N 2.97Å
127	K	48.5	Very low	52.8	Low	182 Å²	182	118 Å²	118	79%	0.791	67%	0.667	S	S	*	*	S	Bend	trans	-123	4.6	177.8	-73.3	-171	179.7	179.7	0	116.7
128	Q	49.2	Very low	51	Low	104 Å²	104	115.5 Å²	115.5	49%	0.486	66%	0.664	S	S	.	*	S	Bend	trans	-88	-25.3	179	-65.2	-172.2	-7.5	0	0	113.7	A130	Q128-A130 PolarHBondContact O-N 3.42Å
129	N	48.1	Very low	50.2	Low	139 Å²	139	115.8 Å²	115.8	74%	0.743	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-7.5	-174.4	-63.9	-7.8	0	0	0	114.3
130	A	50.3	Low	50.3	Low	82 Å²	82	114.3 Å²	114.3	68%	0.678	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-22.7	175.3	0	0	0	0	0	113.2	Q128	Q128-A130 PolarHBondContact O-N 3.42Å
131	A	51.8	Low	50.6	Low	78 Å²	78	115 Å²	115	65%	0.645	66%	0.655	S	S	*	*	H	α-helix	trans	-81.1	-27.6	-176.8	0	0	0	0	0	113.2
132	L	50.9	Low	50.9	Low	148 Å²	148	116.8 Å²	116.8	78%	0.775	66%	0.657	S	S	*	*	H	α-helix	trans	-79	-23.9	-178.7	-93.9	143.2	0	0	0	113.9
133	M	48.5	Very low	51.4	Low	163 Å²	163	112.2 Å²	112.2	80%	0.803	65%	0.648	S	S	*	*	H	α-helix	trans	-90.7	-12.5	175.3	-81.1	-65.2	-167.6	0	0	114
134	G	46.9	Very low	52.1	Low	51 Å²	51	113.1 Å²	113.1	53%	0.526	66%	0.655	S	S	.	*	H	α-helix	trans	-82	-22	177.7	0	0	0	0	0	114.7
135	G	50.8	Low	52.6	Low	43 Å²	43	116.6 Å²	116.6	44%	0.443	66%	0.662	S	S	.	*	H	α-helix	trans	-74.7	-39.2	-176.8	0	0	0	0	0	114	A137	G135-A137 PolarHBondContact O-N 2.93Å
136	L	54	Low	53	Low	140 Å²	140	114.8 Å²	114.8	73%	0.733	66%	0.657	S	S	*	*	H	α-helix	trans	-75.1	-28.2	-173.2	-125.8	80.2	0	0	0	113.7
137	A	55.3	Low	53.1	Low	70 Å²	70	115.6 Å²	115.6	58%	0.579	66%	0.658	S	S	*	*	H	α-helix	trans	-81.5	-29.6	178.6	0	0	0	0	0	112.6	G135	G135-A137 PolarHBondContact O-N 2.93Å
138	G	54.1	Low	53.4	Low	41 Å²	41	111.6 Å²	111.6	42%	0.423	65%	0.652	S	S	.	*	H	α-helix	trans	-72	-35.8	179.7	0	0	0	0	0	113.7
139	D	55.1	Low	53.1	Low	116 Å²	116	118.7 Å²	118.7	62%	0.62	68%	0.675	S	S	*	*	H	α-helix	trans	-79.2	-28.9	-178.2	-84.6	-16.4	0	0	0	113.5	L141 R142	D139-L141 VanDerWaalsContact C-N 3.32Å; D139-L141 PolarHBondContact O-N 3.4Å; D139-R142 PolarHBondContact O-N 3.4Å
140	L	57	Low	52.7	Low	118 Å²	118	115.6 Å²	115.6	62%	0.618	68%	0.676	S	S	*	*	H	α-helix	trans	-68.3	-30.1	174.8	-102.8	154.2	0	0	0	112.8
141	L	59.4	Low	52.2	Low	123 Å²	123	123.2 Å²	123.2	64%	0.644	69%	0.687	S	S	*	*	H	α-helix	trans	-75.7	-23.5	-178.9	-144.3	75.8	0	0	0	113	D139	D139-L141 VanDerWaalsContact C-N 3.32Å; D139-L141 PolarHBondContact O-N 3.4Å
142	R	57.3	Low	51.5	Low	205 Å²	205	125 Å²	125	77%	0.774	69%	0.693	S	S	*	*	H	α-helix	trans	-76	-25.2	176	-77.3	-164.1	172.6	-177.1	1.1	113.5	D139	D139-R142 PolarHBondContact O-N 3.4Å
143	I	59.3	Low	50.8	Low	124 Å²	124	130.3 Å²	130.3	64%	0.636	71%	0.713	S	S	*	*	H	α-helix	trans	-75	-29	-179.5	-58.4	173.1	0	0	0	111
144	L	58.9	Low	50.9	Low	128 Å²	128	128.7 Å²	128.7	67%	0.67	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-15.6	-178.6	-74.6	166.6	0	0	0	114.8
145	H	53.6	Low	51.1	Low	162 Å²	162	132.8 Å²	132.8	75%	0.75	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-2.8	179.1	-95.3	-113.9	0	0	0	114.4
146	A	53.7	Low	51.1	Low	86 Å²	86	137.8 Å²	137.8	71%	0.711	73%	0.734	S	S	*	*	S	Bend	trans	-91	0.6	-177.6	0	0	0	0	0	114.7
147	T	52.7	Low	51	Low	125 Å²	125	137.6 Å²	137.6	77%	0.767	73%	0.734	S	S	*	*	S	Bend	trans	-115.8	11.6	-173.4	54.6	0	0	0	0	116
148	S	55.2	Low	50.7	Low	97 Å²	97	141.9 Å²	141.9	68%	0.678	74%	0.743	S	S	*	*			trans	-136.4	62.4	178.6	74.8	0	0	0	0	115.7
149	R	43.2	Very low	50.5	Low	253 Å²	253	148.6 Å²	148.6	96%	0.955	77%	0.765	S	S	*	*			trans	-148.6	100.3	148.9	-79	-170	172.2	155	-3.2	105.7
150	G	38.6	Very low	50.1	Low	75 Å²	75	150.9 Å²	150.9	77%	0.773	78%	0.775	S	S	*	*				103.4	91.8	67.9	0	0	0	0	0	107.9	P152	G150-P152 WeakPolarHBondContact O-CD 3.28Å
151	R	40	Very low	49.6	Very low	242 Å²	242	153.5 Å²	153.5	91%	0.913	79%	0.787	S	S	*	*			trans	-74.9	132.7	173.3	-162.4	178.1	-178.6	164.5	1.7	108.6
152	P	37.3	Very low	48.8	Very low	116 Å²	116	156 Å²	156	75%	0.753	80%	0.799	S	S	*	*			trans	-138.2	118.5	141.4	34.2	-18.9	0	0	0	112.1	G150	G150-P152 WeakPolarHBondContact O-CD 3.28Å
153	Q	35.7	Very low	48	Very low	259 Å²	259	151.5 Å²	151.5	100%	1.21	80%	0.802	S	S	*	*			trans	-178	0	134.3	-100.5	-179.2	84	0	0	107.7

Retrieved 153 of 153 residues in 139.2 ms (Link to these results)

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