A0A077YXH4_TRITR Loading...

DAN domain containing protein

AlphaFold DB , UniProt , Accession A0A077YXH4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 108 aa.

						>A0A077YXH4_TRITR|A0A077YXH4
MEKNRLLKRCRVSSNCCAYIFLCSEFTVSTVVINNNAKFDVFLGYTKTIWNPGCSPVHVSVNGCRGYCLSWTIPASQPRKVSSFALCCRMVEQETVSTPDILFAYDLV
					

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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	28.1	Very low	28.3	Very low	244 Å²	244	193.5 Å²	193.5	100%	1.202	89%	0.888	S	S	*	*				0	98.5	0	-70.2	-156.9	-67.8	0	0	107.6
2	E	28.5	Very low	28.8	Very low	195 Å²	195	189.4 Å²	189.4	91%	0.911	89%	0.888	S	S	*	*			trans	-79.1	125.3	-169.1	-161.6	167.2	152	0	0	110.1	N4	E2-N4 PolarHBondContact O-N 3.19Å
3	K	26.1	Very low	29.1	Very low	187 Å²	187	181.8 Å²	181.8	81%	0.813	87%	0.868	S	S	*	*			trans	-71	117.3	175.2	-85.1	174.7	171.8	172.4	0	108.6	R5	K3-R5 PolarHBondContact O-N 3.43Å
4	N	26.7	Very low	29.8	Very low	176 Å²	176	176.9 Å²	176.9	94%	0.941	86%	0.863	S	S	*	*			trans	-57.1	99.2	165.1	-90.7	-24.1	0	0	0	110.6	E2	E2-N4 PolarHBondContact O-N 3.19Å
5	R	26.9	Very low	30.2	Very low	219 Å²	219	173.4 Å²	173.4	83%	0.826	85%	0.849	S	S	*	*			trans	-131.3	120.3	157.1	-85.5	-174.7	174.6	179.7	-1.9	106	K3	K3-R5 PolarHBondContact O-N 3.43Å
6	L	29.5	Very low	30.6	Very low	159 Å²	159	169.7 Å²	169.7	83%	0.832	84%	0.844	S	S	*	*				178.6	115	108.8	-90.4	165.4	0	0	0	110	K8	L6-K8 PolarHBondContact O-N 3.14Å
7	L	28.8	Very low	30.9	Very low	172 Å²	172	166.9 Å²	166.9	90%	0.901	84%	0.844	S	S	*	*			trans	-40.8	130	151.8	-77.6	87.5	0	0	0	110.2
8	K	30.8	Very low	31.2	Very low	198 Å²	198	161.6 Å²	161.6	86%	0.861	83%	0.829	S	S	*	*			trans	-115.8	122.4	152.3	-77	-173.5	179.2	177.9	0	109.2	L6	L6-K8 PolarHBondContact O-N 3.14Å
9	R	26.2	Very low	31.5	Very low	249 Å²	249	159.7 Å²	159.7	94%	0.94	81%	0.812	S	S	*	*			trans	-46.3	125.8	178.4	-75.5	164.8	161.2	164.1	-7	112.8
10	C	27.6	Very low	32	Very low	102 Å²	102	159 Å²	159	69%	0.689	81%	0.808	S	S	*	*			trans	-91.8	107.3	151.1	-74.1	0	0	0	0	108.1	V12	C10-V12 PolarHBondContact O-N 3.08Å
11	R	32.1	Very low	32.3	Very low	227 Å²	227	160 Å²	160	86%	0.857	81%	0.807	S	S	*	*			trans	-71.5	112.8	174.6	-155	178.7	-162.5	180	3.3	107.1	S13	R11-S13 PolarHBondContact O-N 3.06Å
12	V	34	Very low	32.9	Very low	145 Å²	145	154.6 Å²	154.6	88%	0.879	78%	0.783	S	S	*	*			trans	-61	107.5	174.6	-176.7	0	0	0	0	108	C10	C10-V12 PolarHBondContact O-N 3.08Å
13	S	32.9	Very low	33.6	Very low	91 Å²	91	147.5 Å²	147.5	64%	0.636	75%	0.754	S	S	*	*			trans	-133.7	93.3	179.9	165.8	0	0	0	0	108.7	R11 N15	R11-S13 PolarHBondContact O-N 3.06Å; S13-N15 VanDerWaalsContact C-N 3.26Å; S13-N15 PolarHBondContact O-N 3.45Å
14	S	39	Very low	34.5	Very low	113 Å²	113	141.7 Å²	141.7	79%	0.79	74%	0.737	S	S	*	*	S	Bend	trans	26.5	27.9	150	-155.9	0	0	0	0	122.2
15	N	35.3	Very low	35.4	Very low	124 Å²	124	141.9 Å²	141.9	66%	0.663	73%	0.732	S	S	*	*			trans	-142.8	57.5	172.7	-83	-39.7	0	0	0	110.9	S13 C17 A18	S13-N15 VanDerWaalsContact C-N 3.26Å; S13-N15 PolarHBondContact O-N 3.45Å; N15-C17 PolarHBondContact O-N 3.04Å; N15-A18 PolarHBondContact O-N 2.79Å
16	C	36.6	Very low	36.3	Very low	114 Å²	114	132.8 Å²	132.8	77%	0.77	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-9.8	-177.8	-86.1	0	0	0	0	115.3
17	C	36.6	Very low	36.8	Very low	123 Å²	123	129.9 Å²	129.9	83%	0.831	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-11.5	179.2	-65.6	0	0	0	0	114.6	N15	N15-C17 PolarHBondContact O-N 3.04Å
18	A	35.9	Very low	37.7	Very low	71 Å²	71	122 Å²	122	59%	0.587	65%	0.647	S	S	*	*	S	Bend	trans	-96.9	-4.3	177.2	0	0	0	0	0	113.7	N15 I20	N15-A18 PolarHBondContact O-N 2.79Å; A18-I20 PolarHBondContact O-N 2.83Å
19	Y	37.9	Very low	38.2	Very low	126 Å²	126	114.2 Å²	114.2	49%	0.494	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-85.3	-2	-173.4	-110.4	-90.2	0	0	0	115	F21 L22	Y19-F21 PolarHBondContact O-N 3.36Å; Y19-L22 HydrophobicContact CD1-CB 4.47Å; Y19-L22 PolarHBondContact O-N 3.43Å
20	I	41.5	Very low	39.1	Very low	144 Å²	144	104 Å²	104	74%	0.738	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-66.3	-28.4	178.5	-60.8	176.7	0	0	0	111	A18	A18-I20 PolarHBondContact O-N 2.83Å
21	F	37	Very low	39.9	Very low	180 Å²	180	99.8 Å²	99.8	79%	0.789	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-87.7	-7.9	-176.6	-84	-82.8	0	0	0	115.6	Y19 S24	Y19-F21 PolarHBondContact O-N 3.36Å; F21-S24 PolarHBondContact O-OG 3.42Å
22	L	40.9	Very low	40.7	Very low	132 Å²	132	92.4 Å²	92.4	69%	0.691	53%	0.534	S	S	*	.	S	Bend	trans	-100.6	-2.2	-173.7	-79.6	160.1	0	0	0	114.7	Y19 S24	Y19-L22 HydrophobicContact CD1-CB 4.47Å; Y19-L22 PolarHBondContact O-N 3.43Å; L22-S24 VanDerWaalsContact C-N 3.28Å
23	C	43.6	Very low	41.6	Very low	45 Å²	45	86.1 Å²	86.1	30%	0.304	50%	0.495	S	S	.	.	S	Bend	trans	-85	10.3	169.8	-69.1	0	0	0	0	112.7	E25 F26 C54	C23-E25 PolarHBondContact O-N 2.91Å; C23-F26 HydrophobicContact CB-CE2 4.3Å; C23-F26 WeakPolarHBondContact O-CD2 3.46Å; C23-F26 WeakPolarHBondContact O-CE2 3.39Å; C23-C54 HydrophobicContact CB-CB 4.1Å; C23-C54 WeakPolarHBondContact CB-SG 3.4Å; C23-C54 WeakPolarHBondContact SG-CB 3.47Å; C23-C54 CovalentContact SG-SG 2.08Å; C23-C54 PolarHBondContact SG-SG 3.32Å
24	S	45.4	Very low	42.4	Very low	66 Å²	66	85.8 Å²	85.8	46%	0.462	49%	0.486	S	S	.	.			trans	-81.4	-0.2	-165.8	60.8	0	0	0	0	116.2	F21 L22 F26 T98	F21-S24 PolarHBondContact O-OG 3.42Å; L22-S24 VanDerWaalsContact C-N 3.28Å; S24-F26 PolarHBondContact O-N 3.34Å; S24-T98 WeakPolarHBondContact O-CG2 2.85Å; S24-T98 PolarHBondContact O-OG1 3.3Å
25	E	44.1	Very low	43	Very low	180 Å²	180	85.7 Å²	85.7	84%	0.841	48%	0.477	S	S	*	.			trans	-101.7	72	172.6	-72	-175.7	-179.6	0	0	110.7	C23	C23-E25 PolarHBondContact O-N 2.91Å
26	F	47	Very low	43.8	Very low	27 Å²	27	86.6 Å²	86.6	12%	0.118	48%	0.481	C	S	.	.			trans	-85.8	110.7	159.1	-73.3	-92.3	0	0	0	108.4	C23 S24 V28 I49 N51 C54 T98	C23-F26 HydrophobicContact CB-CE2 4.3Å; C23-F26 WeakPolarHBondContact O-CD2 3.46Å; C23-F26 WeakPolarHBondContact O-CE2 3.39Å; S24-F26 PolarHBondContact O-N 3.34Å; F26-V28 PolarHBondContact O-N 3.33Å; F26-I49 HydrophobicContact CD1-CG2 3.84Å; F26-I49 HydrophobicContact CE1-CB 4.48Å; F26-I49 HydrophobicContact CE1-CG2 3.68Å; F26-N51 HydrophobicContact CE1-CB 3.94Å; F26-N51 WeakPolarHBondContact CE1-ND2 3.49Å; F26-N51 WeakPolarHBondContact CE1-OD1 3.39Å; F26-N51 HydrophobicContact CZ-CB 3.83Å; F26-N51 VanDerWaalsContact CZ-ND2 3.33Å; F26-N51 WeakPolarHBondContact CZ-ND2 3.17Å; F26-C54 HydrophobicContact CZ-CB 4.39Å; F26-T98 HydrophobicContact CB-CG2 3.66Å; F26-T98 HydrophobicContact CD2-CG2 4.01Å; F26-T98 HydrophobicContact CG-CG2 4.33Å
27	T	40.7	Very low	44.6	Very low	98 Å²	98	82.7 Å²	82.7	60%	0.601	46%	0.458	S	S	*	.			trans	-79.1	98.6	170.9	-21.6	0	0	0	0	107.4	T95	T27-T95 HydrophobicContact CG2-CG2 3.36Å
28	V	46.5	Very low	45.4	Very low	8 Å²	8	86.5 Å²	86.5	5%	0.048	46%	0.46	C	S	.	.	B	Isolated β-bridge	trans	-94.7	130.1	171.2	-179.2	0	0	0	0	108.2	F26 I49 V59 V61 V96 I101	F26-V28 PolarHBondContact O-N 3.33Å; V28-I49 HydrophobicContact CG2-CD1 3.9Å; V28-V59 HydrophobicContact CG1-CB 4.3Å; V28-V59 HydrophobicContact CG1-CG2 4.47Å; V28-V59 HydrophobicContact CG2-CB 4.43Å; V28-V59 HydrophobicContact CG2-CG1 3.85Å; V28-V61 HydrophobicContact CG1-CG1 4.11Å; V28-V96 PolarHBondContact O-N 3.5Å; V28-I101 HydrophobicContact CB-CD1 3.71Å; V28-I101 HydrophobicContact CG2-CD1 3.33Å; V28-I101 HydrophobicContact CG2-CG1 4.47Å
29	S	42.5	Very low	46.6	Very low	33 Å²	33	84.3 Å²	84.3	23%	0.231	44%	0.437	C	S	.	.			trans	-107.8	102.8	-177	-74.6	0	0	0	0	111.3	Q93 E94	S29-Q93 WeakPolarHBondContact OG-CG 3.19Å; S29-Q93 PolarHBondContact OG-NE2 3.09Å; S29-E94 WeakPolarHBondContact CA-O 3.47Å; S29-E94 PolarHBondContact OG-O 3.3Å
30	T	44.2	Very low	47.5	Very low	34 Å²	34	83.5 Å²	83.5	21%	0.209	44%	0.442	C	S	.	.			trans	-76.1	143.2	163.4	45.9	0	0	0	0	108.2	E94 V96	T30-E94 PolarHBondContact O-N 3.41Å; T30-E94 WeakPolarHBondContact OG1-CB 3.17Å; T30-E94 PolarHBondContact OG1-OE2 3.13Å; T30-E94 VanDerWaalsContact OG1-OE2 3.06Å; T30-V96 HydrophobicContact CG2-CG2 4.17Å
31	V	44.9	Very low	48.6	Very low	15 Å²	15	79 Å²	79	9%	0.091	42%	0.421	C	S	.	.			trans	-133.6	137.6	-171.7	165	0	0	0	0	109.6	I33 N62 M90 E92	V31-I33 HydrophobicContact CG1-CG1 4.14Å; V31-N62 PolarHBondContact O-ND2 3.03Å; V31-M90 HydrophobicContact CB-CB 4.29Å; V31-M90 HydrophobicContact CB-CE 3.26Å; V31-M90 HydrophobicContact CB-CG 4.28Å; V31-M90 HydrophobicContact CB-SD 4.28Å; V31-M90 HydrophobicContact CG1-CB 3.38Å; V31-M90 HydrophobicContact CG1-CE 3.13Å; V31-M90 HydrophobicContact CG1-CG 3.65Å; V31-M90 HydrophobicContact CG1-SD 3.54Å; V31-M90 VanDerWaalsContact CG1-SD 3.54Å; V31-M90 HydrophobicContact CG2-CB 4.04Å; V31-M90 HydrophobicContact CG2-CE 3.74Å; V31-M90 HydrophobicContact CG2-CG 4.05Å; V31-E92 WeakPolarHBondContact CA-O 2.95Å; V31-E92 VanDerWaalsContact CB-O 3.3Å; V31-E92 WeakPolarHBondContact CB-O 2.91Å; V31-E92 WeakPolarHBondContact CG1-O 3.42Å; V31-E92 WeakPolarHBondContact CG2-O 3Å
32	V	49.2	Very low	50	Low	71 Å²	71	74.4 Å²	74.4	43%	0.43	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-93.8	129.8	165.8	-170.2	0	0	0	0	109.2	V91 E92	V32-V91 PolarHBondContact O-N 3.44Å; V32-E92 HydrophobicContact CB-CB 3.81Å; V32-E92 HydrophobicContact CB-CG 4.03Å; V32-E92 WeakPolarHBondContact CB-OE2 3.41Å; V32-E92 HydrophobicContact CG2-CB 4.13Å; V32-E92 WeakPolarHBondContact CG2-OE2 3.42Å; V32-E92 PolarHBondContact O-N 2.92Å
33	I	52	Low	51.3	Low	14 Å²	14	74.2 Å²	74.2	7%	0.072	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-103	129.9	-177.5	-64.7	156.3	0	0	0	107.9	V31 V41 G63 C64 M90	V31-I33 HydrophobicContact CG1-CG1 4.14Å; I33-V41 HydrophobicContact CB-CG1 4.47Å; I33-V41 HydrophobicContact CB-CG2 3.93Å; I33-V41 HydrophobicContact CD1-CB 4.4Å; I33-V41 HydrophobicContact CD1-CG1 3.75Å; I33-V41 HydrophobicContact CD1-CG2 4.39Å; I33-V41 HydrophobicContact CG2-CG2 4Å; I33-G63 VanDerWaalsContact CD1-C 3.4Å; I33-G63 WeakPolarHBondContact CD1-O 3.37Å; I33-C64 HydrophobicContact CD1-CB 3.42Å; I33-C64 VanDerWaalsContact CD1-CB 3.42Å; I33-C64 HydrophobicContact CG1-CB 3.82Å; I33-C64 HydrophobicContact CG2-CB 3.91Å; I33-M90 HydrophobicContact CD1-CE 3.84Å; I33-M90 HydrophobicContact CD1-SD 4.02Å; I33-M90 HydrophobicContact CG1-CE 3.95Å; I33-M90 HydrophobicContact CG1-SD 3.76Å
34	N	49.5	Very low	52.4	Low	84 Å²	84	73.8 Å²	73.8	45%	0.449	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-85.6	126.2	-178.8	-168.5	-21	0	0	0	110.9	N36 V91	N34-N36 VanDerWaalsContact C-N 3.29Å; N34-N36 PolarHBondContact ND2-ND2 2.82Å; N34-N36 PolarHBondContact O-N 2.72Å; N34-N36 PolarHBondContact OD1-ND2 2.08Å; N34-N36 VanDerWaalsContact OD1-ND2 3.13Å; N34-N36 PolarHBondContact OD1-OD1 3.03Å; N34-V91 HydrophobicContact CB-CB 4.17Å; N34-V91 HydrophobicContact CB-CG1 4.45Å; N34-V91 HydrophobicContact CB-CG2 3.54Å
35	N	52	Low	53.8	Low	110 Å²	110	75.6 Å²	75.6	59%	0.588	40%	0.401	S	S	*	.			trans	-83.6	22.4	-169.9	-72.1	-15.4	0	0	0	115.3	A37	N35-A37 CarbonylContact C-O 3.57Å; N35-A37 PolarHBondContact O-N 3.3Å; N35-A37 VanDerWaalsContact O-N 3.11Å
36	N	53	Low	55.4	Low	143 Å²	143	71.6 Å²	71.6	77%	0.765	39%	0.389	S	S	*	.	S	Bend	trans	-73.6	-2.9	-174.1	-68.2	-21.3	0	0	0	114.7	N34	N34-N36 VanDerWaalsContact C-N 3.29Å; N34-N36 PolarHBondContact ND2-ND2 2.82Å; N34-N36 PolarHBondContact O-N 2.72Å; N34-N36 PolarHBondContact OD1-ND2 2.08Å; N34-N36 VanDerWaalsContact OD1-ND2 3.13Å; N34-N36 PolarHBondContact OD1-OD1 3.03Å
37	A	51.4	Low	57	Low	33 Å²	33	75.7 Å²	75.7	27%	0.273	41%	0.406	S	S	.	.	S	Bend	trans	-125.7	160.2	165.5	0	0	0	0	0	108.1	N35 F39	N35-A37 CarbonylContact C-O 3.57Å; N35-A37 PolarHBondContact O-N 3.3Å; N35-A37 VanDerWaalsContact O-N 3.11Å; A37-F39 HydrophobicContact CB-CD2 3.97Å; A37-F39 PolarHBondContact O-N 2.81Å
38	K	54.5	Low	58.9	Low	202 Å²	202	74.6 Å²	74.6	88%	0.878	40%	0.4	S	S	*	.	S	Bend	trans	-60.4	82.9	169.9	-85.6	-171.8	176.1	-175.2	0	109.4
39	F	60.2	Low	60.4	Low	25 Å²	25	76.4 Å²	76.4	11%	0.11	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	128.8	-175.9	-115.8	-86.4	0	0	0	108.6	A37 C64 R65 G66 C68 C88	A37-F39 HydrophobicContact CB-CD2 3.97Å; A37-F39 PolarHBondContact O-N 2.81Å; F39-C64 HydrophobicContact CD1-CB 4.33Å; F39-C64 HydrophobicContact CE1-CB 4.48Å; F39-R65 WeakPolarHBondContact CD1-O 3.03Å; F39-R65 VanDerWaalsContact CE1-CA 3.49Å; F39-R65 WeakPolarHBondContact CE1-O 3.11Å; F39-G66 VanDerWaalsContact CZ-C 3.46Å; F39-G66 WeakPolarHBondContact CZ-O 3.18Å; F39-C68 HydrophobicContact CE2-CB 4.3Å; F39-C68 WeakPolarHBondContact CE2-SG 3.43Å; F39-C68 WeakPolarHBondContact CZ-SG 3.48Å; F39-C88 HydrophobicContact CD1-CB 4.06Å; F39-C88 WeakPolarHBondContact CD1-SG 3.16Å; F39-C88 HydrophobicContact CE1-CB 3.18Å; F39-C88 WeakPolarHBondContact CE1-SG 3.31Å; F39-C88 HydrophobicContact CE2-CB 4.12Å; F39-C88 HydrophobicContact CZ-CB 3.23Å
40	D	58.2	Low	62.1	Low	109 Å²	109	83.1 Å²	83.1	58%	0.583	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	121.4	170.8	-65	-36.2	0	0	0	107.6	F42 R65	D40-F42 HydrophobicContact CB-CD2 4.47Å; D40-F42 HydrophobicContact CB-CE2 3.7Å; D40-F42 HydrophobicContact CB-CZ 4.12Å; D40-F42 VanDerWaalsContact O-CD2 3.32Å; D40-F42 WeakPolarHBondContact O-CD2 3.49Å; D40-F42 WeakPolarHBondContact O-CE2 2.99Å; D40-R65 CarbonylContact C-O 3.58Å; D40-R65 WeakPolarHBondContact CA-O 3.21Å; D40-R65 PolarHBondContact N-O 2.96Å; D40-R65 PolarHBondContact O-N 3.14Å; D40-R65 VanDerWaalsContact O-N 3.14Å
41	V	63.9	Low	63.5	Low	51 Å²	51	84.2 Å²	84.2	31%	0.309	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	117.6	171.7	-179.5	0	0	0	0	106.9	I33 L43	I33-V41 HydrophobicContact CB-CG1 4.47Å; I33-V41 HydrophobicContact CB-CG2 3.93Å; I33-V41 HydrophobicContact CD1-CB 4.4Å; I33-V41 HydrophobicContact CD1-CG1 3.75Å; I33-V41 HydrophobicContact CD1-CG2 4.39Å; I33-V41 HydrophobicContact CG2-CG2 4Å; V41-L43 HydrophobicContact CG1-CD2 3.45Å; V41-L43 VanDerWaalsContact CG1-CD2 3.45Å; V41-L43 HydrophobicContact CG1-CG 3.75Å; V41-L43 PolarHBondContact O-N 2.92Å
42	F	66.7	Low	64.9	Low	82 Å²	82	88.5 Å²	88.5	36%	0.36	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	94.4	173.8	-69	-94.8	0	0	0	107.8	D40 G63 R65	D40-F42 HydrophobicContact CB-CD2 4.47Å; D40-F42 HydrophobicContact CB-CE2 3.7Å; D40-F42 HydrophobicContact CB-CZ 4.12Å; D40-F42 VanDerWaalsContact O-CD2 3.32Å; D40-F42 WeakPolarHBondContact O-CD2 3.49Å; D40-F42 WeakPolarHBondContact O-CE2 2.99Å; F42-G63 WeakPolarHBondContact CA-O 3.47Å; F42-G63 PolarHBondContact N-O 3.32Å; F42-G63 PolarHBondContact O-N 3.49Å; F42-R65 HydrophobicContact CD2-CB 3.59Å; F42-R65 HydrophobicContact CD2-CG 4.25Å; F42-R65 HydrophobicContact CE2-CB 3.24Å; F42-R65 HydrophobicContact CE2-CG 3.42Å; F42-R65 VanDerWaalsContact CE2-CG 3.42Å; F42-R65 HydrophobicContact CZ-CB 4.11Å; F42-R65 HydrophobicContact CZ-CG 3.84Å
43	L	67.8	Low	66	Low	128 Å²	128	89.2 Å²	89.2	67%	0.67	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	137.8	176.9	-62.8	175.9	0	0	0	110.1	V41 N62	V41-L43 HydrophobicContact CG1-CD2 3.45Å; V41-L43 VanDerWaalsContact CG1-CD2 3.45Å; V41-L43 HydrophobicContact CG1-CG 3.75Å; V41-L43 PolarHBondContact O-N 2.92Å; L43-N62 HydrophobicContact CD2-CB 4.28Å; L43-N62 WeakPolarHBondContact CD2-OD1 3.46Å
44	G	66	Low	67	Low	37 Å²	37	89.8 Å²	89.8	38%	0.381	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	70.1	36.6	165.9	0	0	0	0	0	116.8	S60 V61 N62	G44-S60 WeakPolarHBondContact CA-OG 3.17Å; G44-V61 PolarHBondContact N-O 3.41Å; G44-N62 PolarHBondContact N-OD1 3.34Å
45	Y	76	Confident	68.3	Low	103 Å²	103	90.4 Å²	90.4	40%	0.404	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	135.9	171.2	81.8	-87	0	0	0	110.4	K47 V61 N62	Y45-K47 HydrophobicContact CD2-CG 4.06Å; Y45-K47 HydrophobicContact CE2-CB 4.45Å; Y45-K47 HydrophobicContact CE2-CD 4.29Å; Y45-K47 HydrophobicContact CE2-CG 3.34Å; Y45-V61 HydrophobicContact CD1-CG2 3.86Å; Y45-V61 WeakPolarHBondContact CD1-O 3.37Å; Y45-V61 HydrophobicContact CD2-CG2 3.96Å; Y45-V61 HydrophobicContact CE1-CB 4.08Å; Y45-V61 HydrophobicContact CE1-CG2 3.42Å; Y45-V61 VanDerWaalsContact CE1-CG2 3.42Å; Y45-V61 WeakPolarHBondContact CE1-O 3.38Å; Y45-V61 HydrophobicContact CE2-CG2 3.58Å; Y45-V61 HydrophobicContact CG-CG2 4.09Å; Y45-V61 PolarHBondContact N-O 3.32Å; Y45-V61 WeakPolarHBondContact O-CG2 3.47Å; Y45-V61 PolarHBondContact O-N 3.49Å; Y45-N62 WeakPolarHBondContact CE1-O 3.14Å
46	T	78.3	Confident	69.3	Low	97 Å²	97	88.3 Å²	88.3	60%	0.595	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.3	-178.2	-42.7	0	0	0	0	110.9	H58 V59	T46-H58 HydrophobicContact CG2-CB 3.83Å; T46-V59 CarbonylContact C-O 3.59Å; T46-V59 WeakPolarHBondContact CA-O 3.18Å
47	K	79.6	Confident	70.4	Confident	112 Å²	112	84.2 Å²	84.2	49%	0.487	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.7	169	-96.6	-83.3	-179.5	176.6	0	110.3	Y45 H58 V59 V61	Y45-K47 HydrophobicContact CD2-CG 4.06Å; Y45-K47 HydrophobicContact CE2-CB 4.45Å; Y45-K47 HydrophobicContact CE2-CD 4.29Å; Y45-K47 HydrophobicContact CE2-CG 3.34Å; K47-H58 CarbonylContact O-C 3.59Å; K47-H58 WeakPolarHBondContact O-CA 3.46Å; K47-V59 HydrophobicContact CB-CG2 4.02Å; K47-V59 PolarHBondContact N-O 3.07Å; K47-V59 WeakPolarHBondContact O-CG2 3.09Å; K47-V59 PolarHBondContact O-N 3.37Å; K47-V61 HydrophobicContact CB-CG2 3.82Å; K47-V61 HydrophobicContact CG-CG2 3.86Å
48	T	79.7	Confident	71.6	Confident	76 Å²	76	88 Å²	88	47%	0.466	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	118.8	167.9	-45.9	0	0	0	0	108.7	P56 V57 H58	T48-P56 HydrophobicContact CG2-CB 3.64Å; T48-V57 CarbonylContact C-O 3.48Å; T48-V57 WeakPolarHBondContact CA-O 3.32Å; T48-H58 PolarHBondContact OG1-CE1 3.23Å; T48-H58 PolarHBondContact OG1-ND1 3.36Å; T48-H58 VanDerWaalsContact OG1-ND1 3.08Å
49	I	78.1	Confident	72.5	Confident	45 Å²	45	78.7 Å²	78.7	23%	0.231	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.9	169.4	-55.9	177.7	0	0	0	107.7	F26 V28 P56 V57 V59	F26-I49 HydrophobicContact CD1-CG2 3.84Å; F26-I49 HydrophobicContact CE1-CB 4.48Å; F26-I49 HydrophobicContact CE1-CG2 3.68Å; V28-I49 HydrophobicContact CG2-CD1 3.9Å; I49-P56 WeakPolarHBondContact O-CA 3.4Å; I49-V57 PolarHBondContact N-O 2.82Å; I49-V57 PolarHBondContact O-N 3.36Å; I49-V59 HydrophobicContact CD1-CB 4.37Å; I49-V59 HydrophobicContact CD1-CG1 3.81Å; I49-V59 HydrophobicContact CD1-CG2 3.65Å; I49-V59 HydrophobicContact CG1-CG1 4.36Å; I49-V59 HydrophobicContact CG1-CG2 3.78Å
50	W	78.4	Confident	73.2	Confident	174 Å²	174	80.2 Å²	80.2	66%	0.659	46%	0.457	S	S	*	.			trans	-118.9	115.8	175.8	-171.5	74.2	0	0	0	110	P52	W50-P52 HydrophobicContact CH2-CB 4.44Å; W50-P52 HydrophobicContact CH2-CG 4.39Å; W50-P52 HydrophobicContact CZ3-CG 4.01Å
51	N	73.3	Confident	74.1	Confident	58 Å²	58	75.8 Å²	75.8	31%	0.31	43%	0.434	S	S	.	.			trans	-106.3	132.6	170.4	-79.8	14.4	0	0	0	109.1	F26 G53 C54	F26-N51 HydrophobicContact CE1-CB 3.94Å; F26-N51 WeakPolarHBondContact CE1-ND2 3.49Å; F26-N51 WeakPolarHBondContact CE1-OD1 3.39Å; F26-N51 HydrophobicContact CZ-CB 3.83Å; F26-N51 VanDerWaalsContact CZ-ND2 3.33Å; F26-N51 WeakPolarHBondContact CZ-ND2 3.17Å; N51-G53 PolarHBondContact O-N 3.4Å; N51-G53 VanDerWaalsContact O-N 3.13Å; N51-C54 HydrophobicContact CB-CB 4.22Å; N51-C54 PolarHBondContact O-N 2.91Å
52	P	74.7	Confident	74.6	Confident	105 Å²	105	75.3 Å²	75.3	68%	0.682	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	120.4	176.5	-23.3	32.2	0	0	0	111	W50	W50-P52 HydrophobicContact CH2-CB 4.44Å; W50-P52 HydrophobicContact CH2-CG 4.39Å; W50-P52 HydrophobicContact CZ3-CG 4.01Å
53	G	73.3	Confident	74.9	Confident	85 Å²	85	71.9 Å²	71.9	88%	0.876	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	-1.1	179.9	0	0	0	0	0	115.9	N51	N51-G53 PolarHBondContact O-N 3.4Å; N51-G53 VanDerWaalsContact O-N 3.13Å
54	C	72	Confident	75.2	Confident	27 Å²	27	67.5 Å²	67.5	18%	0.182	40%	0.397	C	S	.	.	S	Bend	trans	-114.2	156.7	171.1	-35.1	0	0	0	0	109.8	C23 F26 N51	C23-C54 HydrophobicContact CB-CB 4.1Å; C23-C54 WeakPolarHBondContact CB-SG 3.4Å; C23-C54 WeakPolarHBondContact SG-CB 3.47Å; C23-C54 CovalentContact SG-SG 2.08Å; C23-C54 PolarHBondContact SG-SG 3.32Å; F26-C54 HydrophobicContact CZ-CB 4.39Å; N51-C54 HydrophobicContact CB-CB 4.22Å; N51-C54 PolarHBondContact O-N 2.91Å
55	S	77.7	Confident	75.5	Confident	96 Å²	96	74 Å²	74	67%	0.671	41%	0.41	S	S	*	.			trans	-65.2	142.3	173	-174.3	0	0	0	0	110.2	V57	S55-V57 PolarHBondContact O-N 2.82Å
56	P	73	Confident	75.4	Confident	67 Å²	67	70.7 Å²	70.7	44%	0.435	41%	0.407	S	S	.	.			trans	-57.4	137	173.5	21.9	-31.5	0	0	0	111	T48 I49	T48-P56 HydrophobicContact CG2-CB 3.64Å; I49-P56 WeakPolarHBondContact O-CA 3.4Å
57	V	76.5	Confident	75.2	Confident	57 Å²	57	76.1 Å²	76.1	35%	0.345	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.8	178.8	-176.7	0	0	0	0	108.7	T48 I49 S55 V59	T48-V57 CarbonylContact C-O 3.48Å; T48-V57 WeakPolarHBondContact CA-O 3.32Å; I49-V57 PolarHBondContact N-O 2.82Å; I49-V57 PolarHBondContact O-N 3.36Å; S55-V57 PolarHBondContact O-N 2.82Å; V57-V59 HydrophobicContact CG1-CG1 4.15Å
58	H	74.9	Confident	75.2	Confident	113 Å²	113	72.9 Å²	72.9	52%	0.523	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	129.1	171.5	-66.1	-70.9	0	0	0	109.2	T46 K47 T48 Y105	T46-H58 HydrophobicContact CG2-CB 3.83Å; K47-H58 CarbonylContact O-C 3.59Å; K47-H58 WeakPolarHBondContact O-CA 3.46Å; T48-H58 PolarHBondContact OG1-CE1 3.23Å; T48-H58 PolarHBondContact OG1-ND1 3.36Å; T48-H58 VanDerWaalsContact OG1-ND1 3.08Å; H58-Y105 PolarHBondContact O-OH 2.68Å
59	V	74.5	Confident	75.2	Confident	5 Å²	5	74.4 Å²	74.4	3%	0.03	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.8	177.7	-60.2	0	0	0	0	110.1	V28 T46 K47 I49 V57 V61 Y105	V28-V59 HydrophobicContact CG1-CB 4.3Å; V28-V59 HydrophobicContact CG1-CG2 4.47Å; V28-V59 HydrophobicContact CG2-CB 4.43Å; V28-V59 HydrophobicContact CG2-CG1 3.85Å; T46-V59 CarbonylContact C-O 3.59Å; T46-V59 WeakPolarHBondContact CA-O 3.18Å; K47-V59 HydrophobicContact CB-CG2 4.02Å; K47-V59 PolarHBondContact N-O 3.07Å; K47-V59 WeakPolarHBondContact O-CG2 3.09Å; K47-V59 PolarHBondContact O-N 3.37Å; I49-V59 HydrophobicContact CD1-CB 4.37Å; I49-V59 HydrophobicContact CD1-CG1 3.81Å; I49-V59 HydrophobicContact CD1-CG2 3.65Å; I49-V59 HydrophobicContact CG1-CG1 4.36Å; I49-V59 HydrophobicContact CG1-CG2 3.78Å; V57-V59 HydrophobicContact CG1-CG1 4.15Å; V59-V61 HydrophobicContact CG2-CG1 3.87Å; V59-Y105 WeakPolarHBondContact CA-OH 3.33Å
60	S	74.9	Confident	75.5	Confident	58 Å²	58	76.1 Å²	76.1	41%	0.406	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	120.8	170.1	-164.6	0	0	0	0	108.8	G44	G44-S60 WeakPolarHBondContact CA-OG 3.17Å
61	V	76.2	Confident	76.1	Confident	15 Å²	15	73.5 Å²	73.5	9%	0.091	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	153.1	-176.4	-75.6	0	0	0	0	110.7	V28 G44 Y45 K47 V59	V28-V61 HydrophobicContact CG1-CG1 4.11Å; G44-V61 PolarHBondContact N-O 3.41Å; Y45-V61 HydrophobicContact CD1-CG2 3.86Å; Y45-V61 WeakPolarHBondContact CD1-O 3.37Å; Y45-V61 HydrophobicContact CD2-CG2 3.96Å; Y45-V61 HydrophobicContact CE1-CB 4.08Å; Y45-V61 HydrophobicContact CE1-CG2 3.42Å; Y45-V61 VanDerWaalsContact CE1-CG2 3.42Å; Y45-V61 WeakPolarHBondContact CE1-O 3.38Å; Y45-V61 HydrophobicContact CE2-CG2 3.58Å; Y45-V61 HydrophobicContact CG-CG2 4.09Å; Y45-V61 PolarHBondContact N-O 3.32Å; Y45-V61 WeakPolarHBondContact O-CG2 3.47Å; Y45-V61 PolarHBondContact O-N 3.49Å; K47-V61 HydrophobicContact CB-CG2 3.82Å; K47-V61 HydrophobicContact CG-CG2 3.86Å; V59-V61 HydrophobicContact CG2-CG1 3.87Å
62	N	74.8	Confident	77.1	Confident	42 Å²	42	74.7 Å²	74.7	23%	0.225	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	144.4	174.1	-63.3	-23.7	0	0	0	109.8	V31 L43 G44 Y45 M90	V31-N62 PolarHBondContact O-ND2 3.03Å; L43-N62 HydrophobicContact CD2-CB 4.28Å; L43-N62 WeakPolarHBondContact CD2-OD1 3.46Å; G44-N62 PolarHBondContact N-OD1 3.34Å; Y45-N62 WeakPolarHBondContact CE1-O 3.14Å; N62-M90 WeakPolarHBondContact O-CE 3.3Å
63	G	74.2	Confident	77.9	Confident	10 Å²	10	73.5 Å²	73.5	10%	0.103	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	157.6	-178	0	0	0	0	0	110.8	I33 F42	I33-G63 VanDerWaalsContact CD1-C 3.4Å; I33-G63 WeakPolarHBondContact CD1-O 3.37Å; F42-G63 WeakPolarHBondContact CA-O 3.47Å; F42-G63 PolarHBondContact N-O 3.32Å; F42-G63 PolarHBondContact O-N 3.49Å
64	C	72.8	Confident	78.7	Confident	35 Å²	35	74.8 Å²	74.8	24%	0.236	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.4	-177.8	84.4	0	0	0	0	110	I33 F39 C88 M90	I33-C64 HydrophobicContact CD1-CB 3.42Å; I33-C64 VanDerWaalsContact CD1-CB 3.42Å; I33-C64 HydrophobicContact CG1-CB 3.82Å; I33-C64 HydrophobicContact CG2-CB 3.91Å; F39-C64 HydrophobicContact CD1-CB 4.33Å; F39-C64 HydrophobicContact CE1-CB 4.48Å; C64-C88 HydrophobicContact CB-CB 4.35Å; C64-C88 WeakPolarHBondContact CB-SG 3.34Å; C64-C88 WeakPolarHBondContact SG-CB 3.12Å; C64-C88 CovalentContact SG-SG 2Å; C64-C88 PolarHBondContact SG-SG 3.29Å; C64-M90 HydrophobicContact CB-SD 3.95Å
65	R	72.2	Confident	79.4	Confident	175 Å²	175	75 Å²	75	66%	0.66	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.3	145.4	176.1	150.3	-174.4	-170.4	-164.6	6.6	110.3	F39 D40 F42	F39-R65 WeakPolarHBondContact CD1-O 3.03Å; F39-R65 VanDerWaalsContact CE1-CA 3.49Å; F39-R65 WeakPolarHBondContact CE1-O 3.11Å; D40-R65 CarbonylContact C-O 3.58Å; D40-R65 WeakPolarHBondContact CA-O 3.21Å; D40-R65 PolarHBondContact N-O 2.96Å; D40-R65 PolarHBondContact O-N 3.14Å; D40-R65 VanDerWaalsContact O-N 3.14Å; F42-R65 HydrophobicContact CD2-CB 3.59Å; F42-R65 HydrophobicContact CD2-CG 4.25Å; F42-R65 HydrophobicContact CE2-CB 3.24Å; F42-R65 HydrophobicContact CE2-CG 3.42Å; F42-R65 VanDerWaalsContact CE2-CG 3.42Å; F42-R65 HydrophobicContact CZ-CB 4.11Å; F42-R65 HydrophobicContact CZ-CG 3.84Å
66	G	74.1	Confident	79.7	Confident	32 Å²	32	76.4 Å²	76.4	33%	0.33	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	160.4	-173.6	-173.3	0	0	0	0	0	111.7	F39	F39-G66 VanDerWaalsContact CZ-C 3.46Å; F39-G66 WeakPolarHBondContact CZ-O 3.18Å
67	Y	73.7	Confident	80.2	Confident	212 Å²	212	78 Å²	78	83%	0.831	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-97.7	126	177.8	-66.5	-81.7	0	0	0	109.8
68	C	80	Confident	80.5	Confident	43 Å²	43	81 Å²	81	29%	0.291	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-100.7	139.5	174.2	-43.2	0	0	0	0	110.5	F39 S70 L86 C87 C88	F39-C68 HydrophobicContact CE2-CB 4.3Å; F39-C68 WeakPolarHBondContact CE2-SG 3.43Å; F39-C68 WeakPolarHBondContact CZ-SG 3.48Å; C68-S70 PolarHBondContact O-N 3.48Å; C68-L86 HydrophobicContact CB-CB 4.37Å; C68-L86 WeakPolarHBondContact CB-O 2.79Å; C68-C87 VanDerWaalsContact SG-C 3.55Å; C68-C88 PolarHBondContact SG-N 2.94Å
69	L	79.4	Confident	80.9	Confident	109 Å²	109	88 Å²	88	57%	0.571	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-70.5	128.5	175.1	-169.4	67.6	0	0	0	109.8	W71 L86	L69-W71 HydrophobicContact CB-CZ3 4.25Å; L69-W71 HydrophobicContact CD2-CE3 3.87Å; L69-W71 HydrophobicContact CD2-CH2 4.22Å; L69-W71 HydrophobicContact CD2-CZ3 3.36Å; L69-W71 HydrophobicContact CG-CE3 3.67Å; L69-W71 HydrophobicContact CG-CZ3 3.54Å; L69-L86 HydrophobicContact CB-CD1 4.36Å; L69-L86 PolarHBondContact O-N 3.25Å
70	S	86	Confident	81.6	Confident	81 Å²	81	93.5 Å²	93.5	57%	0.566	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.8	144.4	169.7	59.9	0	0	0	0	110.5	C68 F84	C68-S70 PolarHBondContact O-N 3.48Å; S70-F84 CarbonylContact C-O 3.53Å; S70-F84 WeakPolarHBondContact CA-O 2.94Å; S70-F84 WeakPolarHBondContact CB-O 3.25Å
71	W	90.8	Very high	82.4	Confident	118 Å²	118	95.5 Å²	95.5	45%	0.447	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	158.4	178.2	64	95	0	0	0	110.5	L69 F84	L69-W71 HydrophobicContact CB-CZ3 4.25Å; L69-W71 HydrophobicContact CD2-CE3 3.87Å; L69-W71 HydrophobicContact CD2-CH2 4.22Å; L69-W71 HydrophobicContact CD2-CZ3 3.36Å; L69-W71 HydrophobicContact CG-CE3 3.67Å; L69-W71 HydrophobicContact CG-CZ3 3.54Å; W71-F84 AromaticContact CD1-CD2 3.97Å; W71-F84 HydrophobicContact CD2-CB 3.93Å; W71-F84 AromaticContact CE2-CG 3.98Å; W71-F84 HydrophobicContact CE3-CB 4.41Å; W71-F84 HydrophobicContact CG-CB 4.38Å; W71-F84 HydrophobicContact CH2-CB 4.3Å; W71-F84 HydrophobicContact CZ2-CB 3.78Å; W71-F84 HydrophobicContact CZ2-CG 4.17Å; W71-F84 PolarHBondContact N-O 3.22Å; W71-F84 AromaticContact NE1-CD2 3.51Å; W71-F84 AromaticContact NE1-CG 3.77Å; W71-F84 PolarHBondContact O-N 3.2Å; W71-F84 VanDerWaalsContact O-O 3.08Å
72	T	93	Very high	83	Confident	83 Å²	83	97.2 Å²	97.2	51%	0.509	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.5	-179.7	-60.8	0	0	0	0	109.2	V81 S82 S83	T72-V81 HydrophobicContact CG2-CB 3.65Å; T72-V81 HydrophobicContact CG2-CG1 4.27Å; T72-V81 HydrophobicContact CG2-CG2 4.01Å; T72-S82 WeakPolarHBondContact CA-O 3.13Å; T72-S83 WeakPolarHBondContact CG2-OG 3.08Å; T72-S83 PolarHBondContact OG1-OG 3.11Å
73	I	92.3	Very high	83.8	Confident	80 Å²	80	99.1 Å²	99.1	41%	0.41	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	145.9	174.5	59.9	176.1	0	0	0	110.3	A75 V81 S82 F84	I73-A75 PolarHBondContact O-N 3.06Å; I73-V81 WeakPolarHBondContact O-CA 3.46Å; I73-S82 PolarHBondContact N-O 3.21Å; I73-S82 PolarHBondContact O-N 2.87Å; I73-F84 HydrophobicContact CD1-CE2 3.73Å; I73-F84 HydrophobicContact CD1-CZ 4.48Å; I73-F84 HydrophobicContact CG1-CE2 3.92Å
74	P	90.9	Very high	84.4	Confident	113 Å²	113	103.3 Å²	103.3	73%	0.734	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.3	136.5	169.1	-17.6	29.8	0	0	0	110.3
75	A	85.7	Confident	84.9	Confident	30 Å²	30	104.9 Å²	104.9	25%	0.248	56%	0.56	C	S	.	*			trans	-82	163.8	172.6	0	0	0	0	0	110.5	I73 Q77 K80	I73-A75 PolarHBondContact O-N 3.06Å; A75-Q77 PolarHBondContact O-N 2.63Å; A75-K80 HydrophobicContact CB-CB 3.8Å; A75-K80 WeakPolarHBondContact CB-O 3.4Å; A75-K80 PolarHBondContact N-O 3.2Å
76	S	84.1	Confident	85.3	Confident	127 Å²	127	101.2 Å²	101.2	89%	0.888	55%	0.553	S	S	*	*	S	Bend	trans	-64.6	-17.9	174.2	58	0	0	0	0	113.5
77	Q	83.8	Confident	85.4	Confident	101 Å²	101	104.6 Å²	104.6	47%	0.472	57%	0.571	S	S	.	*	S	Bend	trans	-90.5	137.7	178.7	-66.5	175	25.5	0	0	110.8	A75 R79 K80	A75-Q77 PolarHBondContact O-N 2.63Å; Q77-R79 PolarHBondContact O-N 2.65Å; Q77-K80 HydrophobicContact CB-CB 4.28Å; Q77-K80 HydrophobicContact CB-CD 4.02Å; Q77-K80 HydrophobicContact CB-CG 4.3Å; Q77-K80 PolarHBondContact O-N 2Å; Q77-K80 VanDerWaalsContact OE1-CD 3.3Å; Q77-K80 VanDerWaalsContact OE1-CE 3.27Å
78	P	81.8	Confident	85.4	Confident	119 Å²	119	96.3 Å²	96.3	77%	0.773	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	136.4	179.1	23.6	-32.2	0	0	0	110.6	K80	P78-K80 VanDerWaalsContact C-N 3.25Å; P78-K80 PolarHBondContact O-N 2.76Å
79	R	84.2	Confident	85.2	Confident	261 Å²	261	102.7 Å²	102.7	99%	0.985	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	62.3	23.2	180	-52.3	-179.3	176.8	-178	-1.3	115.1	Q77	Q77-R79 PolarHBondContact O-N 2.65Å
80	K	89.4	Confident	84.8	Confident	120 Å²	120	100.7 Å²	100.7	52%	0.522	55%	0.55	S	S	.	.			trans	-116	146.6	170.1	-68.9	-168.1	-176.1	175.1	0	111.3	A75 Q77 P78	A75-K80 HydrophobicContact CB-CB 3.8Å; A75-K80 WeakPolarHBondContact CB-O 3.4Å; A75-K80 PolarHBondContact N-O 3.2Å; Q77-K80 HydrophobicContact CB-CB 4.28Å; Q77-K80 HydrophobicContact CB-CD 4.02Å; Q77-K80 HydrophobicContact CB-CG 4.3Å; Q77-K80 PolarHBondContact O-N 2Å; Q77-K80 VanDerWaalsContact OE1-CD 3.3Å; Q77-K80 VanDerWaalsContact OE1-CE 3.27Å; P78-K80 VanDerWaalsContact C-N 3.25Å; P78-K80 PolarHBondContact O-N 2.76Å
81	V	91.1	Very high	84.1	Confident	100 Å²	100	99.9 Å²	99.9	61%	0.606	54%	0.541	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.7	173.3	-64.6	0	0	0	0	108.8	T72 I73	T72-V81 HydrophobicContact CG2-CB 3.65Å; T72-V81 HydrophobicContact CG2-CG1 4.27Å; T72-V81 HydrophobicContact CG2-CG2 4.01Å; I73-V81 WeakPolarHBondContact O-CA 3.46Å
82	S	89.3	Confident	83	Confident	50 Å²	50	99.5 Å²	99.5	35%	0.35	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	116.9	171.1	-66.2	0	0	0	0	108.3	T72 I73	T72-S82 WeakPolarHBondContact CA-O 3.13Å; I73-S82 PolarHBondContact N-O 3.21Å; I73-S82 PolarHBondContact O-N 2.87Å
83	S	90.1	Very high	82	Confident	82 Å²	82	102.4 Å²	102.4	57%	0.573	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.1	130.7	177.1	-63.8	0	0	0	0	110.2	T72	T72-S83 WeakPolarHBondContact CG2-OG 3.08Å; T72-S83 PolarHBondContact OG1-OG 3.11Å
84	F	87.8	Confident	80.8	Confident	98 Å²	98	104 Å²	104	43%	0.43	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.6	120.8	172.7	-62.7	-90.9	0	0	0	107.3	S70 W71 I73	S70-F84 CarbonylContact C-O 3.53Å; S70-F84 WeakPolarHBondContact CA-O 2.94Å; S70-F84 WeakPolarHBondContact CB-O 3.25Å; W71-F84 AromaticContact CD1-CD2 3.97Å; W71-F84 HydrophobicContact CD2-CB 3.93Å; W71-F84 AromaticContact CE2-CG 3.98Å; W71-F84 HydrophobicContact CE3-CB 4.41Å; W71-F84 HydrophobicContact CG-CB 4.38Å; W71-F84 HydrophobicContact CH2-CB 4.3Å; W71-F84 HydrophobicContact CZ2-CB 3.78Å; W71-F84 HydrophobicContact CZ2-CG 4.17Å; W71-F84 PolarHBondContact N-O 3.22Å; W71-F84 AromaticContact NE1-CD2 3.51Å; W71-F84 AromaticContact NE1-CG 3.77Å; W71-F84 PolarHBondContact O-N 3.2Å; W71-F84 VanDerWaalsContact O-O 3.08Å; I73-F84 HydrophobicContact CD1-CE2 3.73Å; I73-F84 HydrophobicContact CD1-CZ 4.48Å; I73-F84 HydrophobicContact CG1-CE2 3.92Å
85	A	83.9	Confident	79.9	Confident	69 Å²	69	103.8 Å²	103.8	57%	0.57	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-132.8	127.9	176.8	0	0	0	0	0	108.9
86	L	80.8	Confident	79.1	Confident	98 Å²	98	103.9 Å²	103.9	51%	0.513	55%	0.552	S	S	.	*			trans	-86.4	143.1	160.4	-59.3	177.4	0	0	0	106.9	C68 L69	C68-L86 HydrophobicContact CB-CB 4.37Å; C68-L86 WeakPolarHBondContact CB-O 2.79Å; L69-L86 HydrophobicContact CB-CD1 4.36Å; L69-L86 PolarHBondContact O-N 3.25Å
87	C	75.6	Confident	78.1	Confident	103 Å²	103	100.4 Å²	100.4	70%	0.696	53%	0.528	S	S	*	.			trans	-122.5	150.7	172	-71.2	0	0	0	0	108.4	C68 R89	C68-C87 VanDerWaalsContact SG-C 3.55Å; C87-R89 PolarHBondContact O-N 3.42Å
88	C	74.6	Confident	76.8	Confident	38 Å²	38	97.2 Å²	97.2	26%	0.257	52%	0.515	S	S	.	.			trans	-60	131.6	165.2	-162.3	0	0	0	0	108.8	F39 C64 C68	F39-C88 HydrophobicContact CD1-CB 4.06Å; F39-C88 WeakPolarHBondContact CD1-SG 3.16Å; F39-C88 HydrophobicContact CE1-CB 3.18Å; F39-C88 WeakPolarHBondContact CE1-SG 3.31Å; F39-C88 HydrophobicContact CE2-CB 4.12Å; F39-C88 HydrophobicContact CZ-CB 3.23Å; C64-C88 HydrophobicContact CB-CB 4.35Å; C64-C88 WeakPolarHBondContact CB-SG 3.34Å; C64-C88 WeakPolarHBondContact SG-CB 3.12Å; C64-C88 CovalentContact SG-SG 2Å; C64-C88 PolarHBondContact SG-SG 3.29Å; C68-C88 PolarHBondContact SG-N 2.94Å
89	R	73.7	Confident	75.4	Confident	176 Å²	176	94.7 Å²	94.7	66%	0.664	50%	0.499	S	S	*	.			trans	-146.5	150	168	69.1	-178	-170.8	127.6	0.7	111.1	C87 V91	C87-R89 PolarHBondContact O-N 3.42Å; R89-V91 HydrophobicContact CG-CG2 4.38Å
90	M	72.9	Confident	73.6	Confident	68 Å²	68	86.4 Å²	86.4	34%	0.335	47%	0.474	S	S	.	.	B	Isolated β-bridge	trans	-61.4	128.5	163.1	-60.1	-31.3	-108.3	0	0	108.5	V31 I33 N62 C64	V31-M90 HydrophobicContact CB-CB 4.29Å; V31-M90 HydrophobicContact CB-CE 3.26Å; V31-M90 HydrophobicContact CB-CG 4.28Å; V31-M90 HydrophobicContact CB-SD 4.28Å; V31-M90 HydrophobicContact CG1-CB 3.38Å; V31-M90 HydrophobicContact CG1-CE 3.13Å; V31-M90 HydrophobicContact CG1-CG 3.65Å; V31-M90 HydrophobicContact CG1-SD 3.54Å; V31-M90 VanDerWaalsContact CG1-SD 3.54Å; V31-M90 HydrophobicContact CG2-CB 4.04Å; V31-M90 HydrophobicContact CG2-CE 3.74Å; V31-M90 HydrophobicContact CG2-CG 4.05Å; I33-M90 HydrophobicContact CD1-CE 3.84Å; I33-M90 HydrophobicContact CD1-SD 4.02Å; I33-M90 HydrophobicContact CG1-CE 3.95Å; I33-M90 HydrophobicContact CG1-SD 3.76Å; N62-M90 WeakPolarHBondContact O-CE 3.3Å; C64-M90 HydrophobicContact CB-SD 3.95Å
91	V	70	Confident	71.6	Confident	64 Å²	64	81.6 Å²	81.6	39%	0.388	45%	0.454	S	S	.	.			trans	-107.1	-35.1	-176.4	-171.5	0	0	0	0	111.5	V32 N34 R89	V32-V91 PolarHBondContact O-N 3.44Å; N34-V91 HydrophobicContact CB-CB 4.17Å; N34-V91 HydrophobicContact CB-CG1 4.45Å; N34-V91 HydrophobicContact CB-CG2 3.54Å; R89-V91 HydrophobicContact CG-CG2 4.38Å
92	E	67.7	Low	69	Low	110 Å²	110	82.9 Å²	82.9	51%	0.514	46%	0.457	S	S	.	.			trans	-118.4	148.2	176.9	-55.7	-178.1	175.1	0	0	109.9	V31 V32	V31-E92 WeakPolarHBondContact CA-O 2.95Å; V31-E92 VanDerWaalsContact CB-O 3.3Å; V31-E92 WeakPolarHBondContact CB-O 2.91Å; V31-E92 WeakPolarHBondContact CG1-O 3.42Å; V31-E92 WeakPolarHBondContact CG2-O 3Å; V32-E92 HydrophobicContact CB-CB 3.81Å; V32-E92 HydrophobicContact CB-CG 4.03Å; V32-E92 WeakPolarHBondContact CB-OE2 3.41Å; V32-E92 HydrophobicContact CG2-CB 4.13Å; V32-E92 WeakPolarHBondContact CG2-OE2 3.42Å; V32-E92 PolarHBondContact O-N 2.92Å
93	Q	71.6	Confident	66.3	Low	144 Å²	144	87 Å²	87	67%	0.673	47%	0.468	S	S	*	.			trans	-136	126.5	178.2	-177.4	178.1	0.8	0	0	107.3	S29	S29-Q93 WeakPolarHBondContact OG-CG 3.19Å; S29-Q93 PolarHBondContact OG-NE2 3.09Å
94	E	68.5	Low	63.7	Low	113 Å²	113	85.9 Å²	85.9	53%	0.528	47%	0.465	S	S	.	.			trans	-104.6	157.7	170.1	-63.2	179.5	150.7	0	0	109.5	S29 T30	S29-E94 WeakPolarHBondContact CA-O 3.47Å; S29-E94 PolarHBondContact OG-O 3.3Å; T30-E94 PolarHBondContact O-N 3.41Å; T30-E94 WeakPolarHBondContact OG1-CB 3.17Å; T30-E94 PolarHBondContact OG1-OE2 3.13Å; T30-E94 VanDerWaalsContact OG1-OE2 3.06Å
95	T	71	Confident	61.3	Low	108 Å²	108	86.4 Å²	86.4	66%	0.663	47%	0.465	S	S	*	.			trans	-110.7	113.9	173.8	-61.3	0	0	0	0	107.5	T27	T27-T95 HydrophobicContact CG2-CG2 3.36Å
96	V	68.6	Low	58.8	Low	33 Å²	33	89.4 Å²	89.4	20%	0.2	47%	0.471	C	S	.	.	B	Isolated β-bridge	trans	-100.9	133.6	178.2	-166.8	0	0	0	0	109	V28 T30 D100 I101	V28-V96 PolarHBondContact O-N 3.5Å; T30-V96 HydrophobicContact CG2-CG2 4.17Å; V96-D100 HydrophobicContact CG1-CB 3.91Å; V96-I101 HydrophobicContact CB-CG1 4.28Å; V96-I101 HydrophobicContact CG1-CG1 3.73Å
97	S	63	Low	56.4	Low	53 Å²	53	92.2 Å²	92.2	37%	0.371	49%	0.486	S	S	.	.			trans	-83.4	150.3	177.1	84.2	0	0	0	0	111	P99 D100 I101	S97-P99 VanDerWaalsContact C-CD 3.47Å; S97-P99 WeakPolarHBondContact OG-CD 3.17Å; S97-P99 WeakPolarHBondContact OG-CG 3.49Å; S97-D100 WeakPolarHBondContact O-CB 3.42Å; S97-D100 PolarHBondContact O-N 3.48Å; S97-D100 PolarHBondContact OG-OD2 3.28Å; S97-I101 PolarHBondContact O-N 3.38Å
98	T	57.7	Low	54.3	Low	35 Å²	35	96.7 Å²	96.7	22%	0.215	51%	0.509	C	S	.	.	H	α-helix	trans	-55.1	-39.4	-178.7	47.8	0	0	0	0	116.2	S24 F26 D100 I101	S24-T98 WeakPolarHBondContact O-CG2 2.85Å; S24-T98 PolarHBondContact O-OG1 3.3Å; F26-T98 HydrophobicContact CB-CG2 3.66Å; F26-T98 HydrophobicContact CD2-CG2 4.01Å; F26-T98 HydrophobicContact CG-CG2 4.33Å; T98-D100 VanDerWaalsContact C-N 3.26Å; T98-D100 PolarHBondContact O-N 2.89Å; T98-I101 PolarHBondContact O-N 2.83Å
99	P	52.9	Low	53.3	Low	66 Å²	66	99.6 Å²	99.6	43%	0.429	52%	0.522	S	S	.	.	H	α-helix	trans	-61.7	-38.3	175.1	22.3	-31.8	0	0	0	111.4	S97 I101 L102 F103	S97-P99 VanDerWaalsContact C-CD 3.47Å; S97-P99 WeakPolarHBondContact OG-CD 3.17Å; S97-P99 WeakPolarHBondContact OG-CG 3.49Å; P99-I101 VanDerWaalsContact C-N 3.33Å; P99-I101 PolarHBondContact O-N 3.13Å; P99-L102 PolarHBondContact O-N 2.91Å; P99-F103 WeakPolarHBondContact O-CD2 3.24Å; P99-F103 PolarHBondContact O-N 2.8Å
100	D	45.7	Very low	52.2	Low	86 Å²	86	95.6 Å²	95.6	46%	0.46	51%	0.514	S	S	.	.	H	α-helix	trans	-69.4	-30.5	-178.3	-56.8	-39.5	0	0	0	112.8	V96 S97 T98 L102 F103 A104	V96-D100 HydrophobicContact CG1-CB 3.91Å; S97-D100 WeakPolarHBondContact O-CB 3.42Å; S97-D100 PolarHBondContact O-N 3.48Å; S97-D100 PolarHBondContact OG-OD2 3.28Å; T98-D100 VanDerWaalsContact C-N 3.26Å; T98-D100 PolarHBondContact O-N 2.89Å; D100-L102 VanDerWaalsContact C-N 3.34Å; D100-L102 PolarHBondContact O-N 2.86Å; D100-F103 PolarHBondContact O-N 2.96Å; D100-A104 WeakPolarHBondContact O-CB 3.44Å; D100-A104 PolarHBondContact O-N 3.48Å
101	I	46.5	Very low	51	Low	20 Å²	20	97.1 Å²	97.1	10%	0.103	52%	0.524	C	S	.	.	H	α-helix	trans	-65.5	-39.3	177	-63.6	162.4	0	0	0	110.5	V28 V96 S97 T98 P99 A104 Y105	V28-I101 HydrophobicContact CB-CD1 3.71Å; V28-I101 HydrophobicContact CG2-CD1 3.33Å; V28-I101 HydrophobicContact CG2-CG1 4.47Å; V96-I101 HydrophobicContact CB-CG1 4.28Å; V96-I101 HydrophobicContact CG1-CG1 3.73Å; S97-I101 PolarHBondContact O-N 3.38Å; T98-I101 PolarHBondContact O-N 2.83Å; P99-I101 VanDerWaalsContact C-N 3.33Å; P99-I101 PolarHBondContact O-N 3.13Å; I101-A104 PolarHBondContact O-N 2.81Å; I101-Y105 HydrophobicContact CG2-CE2 3.6Å; I101-Y105 WeakPolarHBondContact O-CD2 3.44Å; I101-Y105 WeakPolarHBondContact O-CE2 3.46Å
102	L	37.6	Very low	49.9	Very low	127 Å²	127	99.1 Å²	99.1	67%	0.665	53%	0.532	S	S	*	.	H	α-helix	trans	-65.3	-41.1	175.6	-96.5	124.1	0	0	0	111.9	P99 D100 Y105	P99-L102 PolarHBondContact O-N 2.91Å; D100-L102 VanDerWaalsContact C-N 3.34Å; D100-L102 PolarHBondContact O-N 2.86Å; L102-Y105 PolarHBondContact O-N 3.4Å
103	F	32.3	Very low	48.8	Very low	135 Å²	135	98.4 Å²	98.4	59%	0.592	53%	0.534	S	S	*	.	H	α-helix	trans	-73.8	-23.6	177.9	-66.9	-65.1	0	0	0	113.7	P99 D100 Y105 D106	P99-F103 WeakPolarHBondContact O-CD2 3.24Å; P99-F103 PolarHBondContact O-N 2.8Å; D100-F103 PolarHBondContact O-N 2.96Å; F103-Y105 PolarHBondContact O-N 3.32Å; F103-D106 PolarHBondContact O-N 3.2Å
104	A	34.6	Very low	47.3	Very low	60 Å²	60	95.3 Å²	95.3	50%	0.496	52%	0.524	S	S	.	.	H	α-helix	trans	-67.8	-22.4	175.2	0	0	0	0	0	113	D100 I101	D100-A104 WeakPolarHBondContact O-CB 3.44Å; D100-A104 PolarHBondContact O-N 3.48Å; I101-A104 PolarHBondContact O-N 2.81Å
105	Y	37.9	Very low	45.8	Very low	109 Å²	109	94.1 Å²	94.1	43%	0.427	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-79	-18.9	173.3	-58.4	-68.2	0	0	0	113.5	H58 V59 I101 L102 F103 L107	H58-Y105 PolarHBondContact O-OH 2.68Å; V59-Y105 WeakPolarHBondContact CA-OH 3.33Å; I101-Y105 HydrophobicContact CG2-CE2 3.6Å; I101-Y105 WeakPolarHBondContact O-CD2 3.44Å; I101-Y105 WeakPolarHBondContact O-CE2 3.46Å; L102-Y105 PolarHBondContact O-N 3.4Å; F103-Y105 PolarHBondContact O-N 3.32Å; Y105-L107 PolarHBondContact O-N 3.22Å
106	D	31.1	Very low	43.8	Very low	131 Å²	131	93 Å²	93	70%	0.701	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-82.5	-1	178.9	-71.1	-29.6	0	0	0	113	F103	F103-D106 PolarHBondContact O-N 3.2Å
107	L	30.3	Very low	41.8	Very low	157 Å²	157	98 Å²	98	82%	0.822	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-116.1	17.5	-177.3	-80.2	166.8	0	0	0	114.5	Y105	Y105-L107 PolarHBondContact O-N 3.22Å
108	V	31.6	Very low	39.8	Very low	197 Å²	197	102.1 Å²	102.1	100%	1.194	56%	0.555	S	S	*	*			trans	-119.3	0	170	-177.8	0	0	0	0	111.1

Retrieved 108 of 108 residues in 270.8 ms (Link to these results)

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