A0A077Z6S2_TRITR Loading...

DUF7107 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z6S2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 125 aa.

						>A0A077Z6S2_TRITR|A0A077Z6S2
MKSSAAAATVAVLVIIFHAQFGAFRENTPIRCRRRDDCTPAGPNDVFGYMCVRKTCVAVVRSNYSCRKRGRCGIGGRCMNGICYELWHGFTNPTTYLSDTDELPEYDGPDAFYTSAEEDQDDLKN
					

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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	41.6	Very low	54.3	Low	237 Å²	237	108.1 Å²	108.1	100%	1.167	69%	0.685	S	S	*	*				0	97.4	0	-67.5	164.3	136.8	0	0	108.7
2	K	46.6	Very low	55.6	Low	214 Å²	214	105.6 Å²	105.6	93%	0.93	67%	0.668	S	S	*	*			trans	165	68.6	167.2	-96.2	169.2	-177	-176.4	0	108.1
3	S	49.8	Very low	56.5	Low	104 Å²	104	106.5 Å²	106.5	73%	0.727	66%	0.664	S	S	*	*			trans	-135.3	2.8	177.6	33.3	0	0	0	0	113.7
4	S	52.7	Low	57.3	Low	110 Å²	110	104 Å²	104	77%	0.769	65%	0.647	S	S	*	*	S	Bend	trans	-94.8	-4.8	-173.6	-50.8	0	0	0	0	115.4
5	A	54.5	Low	57.8	Low	86 Å²	86	104.9 Å²	104.9	71%	0.711	64%	0.644	S	S	*	*	H	α-helix	trans	-83	-26.1	-177.5	0	0	0	0	0	113.9
6	A	54.7	Low	58.1	Low	71 Å²	71	102.9 Å²	102.9	59%	0.587	63%	0.627	S	S	*	*	H	α-helix	trans	-81	-25.9	-174.5	0	0	0	0	0	113.8	T9	A6-T9 PolarHBondContact O-OG1 3.23Å; A6-T9 VanDerWaalsContact O-OG1 3.06Å
7	A	56.2	Low	58.1	Low	74 Å²	74	104.1 Å²	104.1	61%	0.612	62%	0.622	S	S	*	*	H	α-helix	trans	-73.7	-34	-178.6	0	0	0	0	0	112.6	A11	A7-A11 PolarHBondContact O-N 3.42Å
8	A	57.1	Low	58.2	Low	61 Å²	61	105.2 Å²	105.2	50%	0.504	62%	0.62	S	S	.	*	H	α-helix	trans	-69.8	-35.8	-177.7	0	0	0	0	0	112.7	A11 V12	A8-A11 PolarHBondContact O-N 3.43Å; A8-V12 WeakPolarHBondContact O-CG2 3.35Å; A8-V12 PolarHBondContact O-N 3.49Å
9	T	58.6	Low	58.2	Low	85 Å²	85	104.1 Å²	104.1	52%	0.521	62%	0.623	S	S	.	*	H	α-helix	trans	-69	-36.6	179.5	36.8	0	0	0	0	112.7	A6 V12 L13	A6-T9 PolarHBondContact O-OG1 3.23Å; A6-T9 VanDerWaalsContact O-OG1 3.06Å; T9-V12 PolarHBondContact O-N 3.45Å; T9-L13 WeakPolarHBondContact O-CG 3.37Å; T9-L13 PolarHBondContact O-N 2.87Å; T9-L13 VanDerWaalsContact O-N 3.11Å
10	V	62.5	Low	58.3	Low	93 Å²	93	106 Å²	106	56%	0.564	63%	0.625	S	S	*	*	H	α-helix	trans	-64.8	-43.9	176.9	-179.5	0	0	0	0	110.9	V12 L13 V14	V10-V12 VanDerWaalsContact C-N 3.34Å; V10-V12 PolarHBondContact O-N 3.06Å; V10-L13 PolarHBondContact O-N 3.21Å; V10-V14 WeakPolarHBondContact O-CG2 3.31Å; V10-V14 PolarHBondContact O-N 3.34Å; V10-V14 VanDerWaalsContact O-N 3.09Å
11	A	63.1	Low	58.2	Low	54 Å²	54	106.4 Å²	106.4	45%	0.446	62%	0.62	S	S	.	*	H	α-helix	trans	-61.3	-41.8	178.3	0	0	0	0	0	112.2	A7 A8 V14 I15	A7-A11 PolarHBondContact O-N 3.42Å; A8-A11 PolarHBondContact O-N 3.43Å; A11-V14 PolarHBondContact O-N 3.49Å; A11-I15 VanDerWaalsContact O-CG1 3.31Å; A11-I15 WeakPolarHBondContact O-CG1 3.4Å; A11-I15 PolarHBondContact O-N 2.91Å; A11-I15 VanDerWaalsContact O-N 3.09Å
12	V	69.9	Low	58.2	Low	78 Å²	78	97.9 Å²	97.9	47%	0.473	59%	0.592	S	S	.	*	H	α-helix	trans	-64.2	-41.8	177.7	173.2	0	0	0	0	111.4	A8 T9 V10 V14 I15 I16	A8-V12 WeakPolarHBondContact O-CG2 3.35Å; A8-V12 PolarHBondContact O-N 3.49Å; T9-V12 PolarHBondContact O-N 3.45Å; V10-V12 VanDerWaalsContact C-N 3.34Å; V10-V12 PolarHBondContact O-N 3.06Å; V12-V14 PolarHBondContact O-N 3.35Å; V12-I15 PolarHBondContact O-N 3.29Å; V12-I16 HydrophobicContact CG1-CD1 3.68Å; V12-I16 HydrophobicContact CG1-CG1 4.31Å; V12-I16 VanDerWaalsContact O-CG1 3.28Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 3.09Å
13	L	67.7	Low	58.4	Low	118 Å²	118	91.8 Å²	91.8	62%	0.618	58%	0.582	S	S	*	*	H	α-helix	trans	-64.4	-39.4	177.6	-72.1	172.5	0	0	0	112.4	T9 V10 I15 I16 F17	T9-L13 WeakPolarHBondContact O-CG 3.37Å; T9-L13 PolarHBondContact O-N 2.87Å; T9-L13 VanDerWaalsContact O-N 3.11Å; V10-L13 PolarHBondContact O-N 3.21Å; L13-I15 VanDerWaalsContact C-N 3.35Å; L13-I16 PolarHBondContact O-N 2.84Å; L13-F17 WeakPolarHBondContact O-CB 3.28Å; L13-F17 PolarHBondContact O-N 2.79Å
14	V	67.9	Low	58.1	Low	71 Å²	71	95.7 Å²	95.7	43%	0.43	59%	0.586	S	S	.	*	H	α-helix	trans	-63	-42.2	175.2	174.6	0	0	0	0	111	V10 A11 V12 F17 H18	V10-V14 WeakPolarHBondContact O-CG2 3.31Å; V10-V14 PolarHBondContact O-N 3.34Å; V10-V14 VanDerWaalsContact O-N 3.09Å; A11-V14 PolarHBondContact O-N 3.49Å; V12-V14 PolarHBondContact O-N 3.35Å; V14-F17 PolarHBondContact O-N 2.78Å; V14-H18 PolarHBondContact O-N 2.8Å
15	I	63.6	Low	58	Low	117 Å²	117	100.9 Å²	100.9	60%	0.6	59%	0.589	S	S	*	*	H	α-helix	trans	-64.2	-44.2	176.5	-65	164.8	0	0	0	110.8	A11 V12 L13 F17 H18 A19	A11-I15 VanDerWaalsContact O-CG1 3.31Å; A11-I15 WeakPolarHBondContact O-CG1 3.4Å; A11-I15 PolarHBondContact O-N 2.91Å; A11-I15 VanDerWaalsContact O-N 3.09Å; V12-I15 PolarHBondContact O-N 3.29Å; L13-I15 VanDerWaalsContact C-N 3.35Å; I15-F17 VanDerWaalsContact C-N 3.33Å; I15-F17 PolarHBondContact O-N 3.09Å; I15-H18 PolarHBondContact O-N 3.48Å; I15-A19 WeakPolarHBondContact O-CB 3.26Å; I15-A19 PolarHBondContact O-N 3.37Å
16	I	63.5	Low	57.8	Low	73 Å²	73	104.3 Å²	104.3	37%	0.374	59%	0.59	S	S	.	*	H	α-helix	trans	-64.3	-40.7	177.7	-67	168.9	0	0	0	110.4	V12 L13 A19 Q20	V12-I16 HydrophobicContact CG1-CD1 3.68Å; V12-I16 HydrophobicContact CG1-CG1 4.31Å; V12-I16 VanDerWaalsContact O-CG1 3.28Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 3.09Å; L13-I16 PolarHBondContact O-N 2.84Å; I16-A19 PolarHBondContact O-N 3.27Å; I16-Q20 HydrophobicContact CG2-CG 4.29Å; I16-Q20 WeakPolarHBondContact O-CB 3.36Å; I16-Q20 WeakPolarHBondContact O-CG 3.33Å; I16-Q20 PolarHBondContact O-N 3.11Å
17	F	58.3	Low	57.8	Low	123 Å²	123	108.4 Å²	108.4	54%	0.539	60%	0.602	S	S	.	*	H	α-helix	trans	-65.5	-42.1	177.1	-151.6	-89.1	0	0	0	111.1	L13 V14 I15 A19 Q20 F21	L13-F17 WeakPolarHBondContact O-CB 3.28Å; L13-F17 PolarHBondContact O-N 2.79Å; V14-F17 PolarHBondContact O-N 2.78Å; I15-F17 VanDerWaalsContact C-N 3.33Å; I15-F17 PolarHBondContact O-N 3.09Å; F17-A19 VanDerWaalsContact C-N 3.34Å; F17-A19 PolarHBondContact O-N 3.43Å; F17-Q20 PolarHBondContact O-N 3.49Å; F17-F21 HydrophobicContact CB-CD2 4.37Å; F17-F21 HydrophobicContact CD1-CB 4.25Å; F17-F21 AromaticContact CD1-CD2 3.45Å; F17-F21 HydrophobicContact CD1-CD2 3.45Å; F17-F21 VanDerWaalsContact CD1-CD2 3.45Å; F17-F21 HydrophobicContact CD1-CE2 4.16Å; F17-F21 HydrophobicContact CD1-CG 4.14Å; F17-F21 AromaticContact CD2-CD2 3.62Å; F17-F21 HydrophobicContact CD2-CD2 3.62Å; F17-F21 AromaticContact CD2-CE2 3.47Å; F17-F21 HydrophobicContact CD2-CE2 3.47Å; F17-F21 VanDerWaalsContact CD2-CE2 3.47Å; F17-F21 HydrophobicContact CE1-CB 4.19Å; F17-F21 AromaticContact CE1-CD2 3.44Å; F17-F21 HydrophobicContact CE1-CD2 3.44Å; F17-F21 VanDerWaalsContact CE1-CD2 3.44Å; F17-F21 AromaticContact CE1-CE2 3.97Å; F17-F21 HydrophobicContact CE1-CE2 3.97Å; F17-F21 AromaticContact CE1-CG 3.88Å; F17-F21 HydrophobicContact CE1-CG 3.88Å; F17-F21 AromaticContact CE2-CD2 3.61Å; F17-F21 HydrophobicContact CE2-CD2 3.61Å; F17-F21 AromaticContact CE2-CE2 3.25Å; F17-F21 HydrophobicContact CE2-CE2 3.25Å; F17-F21 HydrophobicContact CE2-CZ 4.03Å; F17-F21 AromaticContact CG-CD2 3.54Å; F17-F21 HydrophobicContact CG-CD2 3.54Å; F17-F21 AromaticContact CG-CE2 3.93Å; F17-F21 HydrophobicContact CG-CE2 3.93Å; F17-F21 AromaticContact CZ-CD2 3.51Å; F17-F21 HydrophobicContact CZ-CD2 3.51Å; F17-F21 AromaticContact CZ-CE2 3.52Å; F17-F21 HydrophobicContact CZ-CE2 3.52Å; F17-F21 HydrophobicContact CZ-CG 4.15Å; F17-F21 HydrophobicContact CZ-CZ 4.13Å; F17-F21 WeakPolarHBondContact O-CA 3.45Å; F17-F21 VanDerWaalsContact O-CB 3.28Å; F17-F21 WeakPolarHBondContact O-CB 3.28Å; F17-F21 VanDerWaalsContact O-CD2 3.26Å; F17-F21 WeakPolarHBondContact O-CD2 3.45Å; F17-F21 PolarHBondContact O-N 2.87Å
18	H	59.4	Low	57.9	Low	125 Å²	125	109.5 Å²	109.5	58%	0.579	60%	0.601	S	S	*	*	H	α-helix	trans	-69.6	-28.2	172.5	-67.5	-22.3	0	0	0	113.1	V14 I15 G22	V14-H18 PolarHBondContact O-N 2.8Å; I15-H18 PolarHBondContact O-N 3.48Å; H18-G22 WeakPolarHBondContact O-CA 2.94Å; H18-G22 PolarHBondContact O-N 3.35Å
19	A	58.5	Low	58.2	Low	83 Å²	83	110.6 Å²	110.6	69%	0.686	60%	0.603	S	S	*	*	H	α-helix	trans	-73	-37.7	174.1	0	0	0	0	0	112.1	I15 I16 F17	I15-A19 WeakPolarHBondContact O-CB 3.26Å; I15-A19 PolarHBondContact O-N 3.37Å; I16-A19 PolarHBondContact O-N 3.27Å; F17-A19 VanDerWaalsContact C-N 3.34Å; F17-A19 PolarHBondContact O-N 3.43Å
20	Q	59.1	Low	59	Low	143 Å²	143	112 Å²	112	67%	0.668	61%	0.606	S	S	*	*	H	α-helix	trans	-85	-31.3	-178	-68.4	-179.5	-1	0	0	113	I16 F17	I16-Q20 HydrophobicContact CG2-CG 4.29Å; I16-Q20 WeakPolarHBondContact O-CB 3.36Å; I16-Q20 WeakPolarHBondContact O-CG 3.33Å; I16-Q20 PolarHBondContact O-N 3.11Å; F17-Q20 PolarHBondContact O-N 3.49Å
21	F	56.4	Low	59.9	Low	115 Å²	115	117.9 Å²	117.9	50%	0.504	62%	0.618	S	S	.	*	H	α-helix	trans	-117.1	-8.9	-177	-56.3	-80.6	0	0	0	114	F17 A23 F24	F17-F21 HydrophobicContact CB-CD2 4.37Å; F17-F21 HydrophobicContact CD1-CB 4.25Å; F17-F21 AromaticContact CD1-CD2 3.45Å; F17-F21 HydrophobicContact CD1-CD2 3.45Å; F17-F21 VanDerWaalsContact CD1-CD2 3.45Å; F17-F21 HydrophobicContact CD1-CE2 4.16Å; F17-F21 HydrophobicContact CD1-CG 4.14Å; F17-F21 AromaticContact CD2-CD2 3.62Å; F17-F21 HydrophobicContact CD2-CD2 3.62Å; F17-F21 AromaticContact CD2-CE2 3.47Å; F17-F21 HydrophobicContact CD2-CE2 3.47Å; F17-F21 VanDerWaalsContact CD2-CE2 3.47Å; F17-F21 HydrophobicContact CE1-CB 4.19Å; F17-F21 AromaticContact CE1-CD2 3.44Å; F17-F21 HydrophobicContact CE1-CD2 3.44Å; F17-F21 VanDerWaalsContact CE1-CD2 3.44Å; F17-F21 AromaticContact CE1-CE2 3.97Å; F17-F21 HydrophobicContact CE1-CE2 3.97Å; F17-F21 AromaticContact CE1-CG 3.88Å; F17-F21 HydrophobicContact CE1-CG 3.88Å; F17-F21 AromaticContact CE2-CD2 3.61Å; F17-F21 HydrophobicContact CE2-CD2 3.61Å; F17-F21 AromaticContact CE2-CE2 3.25Å; F17-F21 HydrophobicContact CE2-CE2 3.25Å; F17-F21 HydrophobicContact CE2-CZ 4.03Å; F17-F21 AromaticContact CG-CD2 3.54Å; F17-F21 HydrophobicContact CG-CD2 3.54Å; F17-F21 AromaticContact CG-CE2 3.93Å; F17-F21 HydrophobicContact CG-CE2 3.93Å; F17-F21 AromaticContact CZ-CD2 3.51Å; F17-F21 HydrophobicContact CZ-CD2 3.51Å; F17-F21 AromaticContact CZ-CE2 3.52Å; F17-F21 HydrophobicContact CZ-CE2 3.52Å; F17-F21 HydrophobicContact CZ-CG 4.15Å; F17-F21 HydrophobicContact CZ-CZ 4.13Å; F17-F21 WeakPolarHBondContact O-CA 3.45Å; F17-F21 VanDerWaalsContact O-CB 3.28Å; F17-F21 WeakPolarHBondContact O-CB 3.28Å; F17-F21 VanDerWaalsContact O-CD2 3.26Å; F17-F21 WeakPolarHBondContact O-CD2 3.45Å; F17-F21 PolarHBondContact O-N 2.87Å; F21-A23 PolarHBondContact O-N 3Å; F21-F24 PolarHBondContact O-N 3.08Å; F21-F24 VanDerWaalsContact O-N 3.08Å
22	G	43.2	Very low	60.8	Low	57 Å²	57	115.6 Å²	115.6	59%	0.588	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	25.7	-174.3	0	0	0	0	0	115.6	H18	H18-G22 WeakPolarHBondContact O-CA 2.94Å; H18-G22 PolarHBondContact O-N 3.35Å
23	A	50.4	Low	61.3	Low	87 Å²	87	119.7 Å²	119.7	72%	0.719	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.9	39.3	157.3	0	0	0	0	0	110.2	F21 R25	F21-A23 PolarHBondContact O-N 3Å; A23-R25 PolarHBondContact O-N 2.96Å
24	F	43.6	Very low	61.5	Low	186 Å²	186	121 Å²	121	82%	0.816	60%	0.603	S	S	*	*			trans	-59.6	82.2	150	-153.7	-92.9	0	0	0	105.8	F21 E26	F21-F24 PolarHBondContact O-N 3.08Å; F21-F24 VanDerWaalsContact O-N 3.08Å; F24-E26 PolarHBondContact O-N 2.94Å
25	R	50.4	Low	61.6	Low	219 Å²	219	122.4 Å²	122.4	83%	0.826	60%	0.6	S	S	*	*			trans	-63.5	85.1	170.2	-105.1	-170.9	168.1	-157.1	-0.9	104.7	A23 N27	A23-R25 PolarHBondContact O-N 2.96Å; R25-N27 PolarHBondContact O-N 2.71Å
26	E	49.7	Very low	61.9	Low	157 Å²	157	123.1 Å²	123.1	73%	0.734	61%	0.605	S	S	*	*			trans	-37.1	104.1	164.7	-175.9	176.1	-161	0	0	107.8	F24 T28	F24-E26 PolarHBondContact O-N 2.94Å; E26-T28 WeakPolarHBondContact O-CA 3.43Å; E26-T28 PolarHBondContact O-N 2.69Å; E26-T28 PolarHBondContact O-OG1 3.26Å
27	N	54.4	Low	62.7	Low	157 Å²	157	123.2 Å²	123.2	84%	0.84	61%	0.607	S	S	*	*			trans	17.6	34.1	157.5	-80	-0.4	0	0	0	118.5	R25 P29	R25-N27 PolarHBondContact O-N 2.71Å; N27-P29 WeakPolarHBondContact O-CD 3.47Å; N27-P29 VanDerWaalsContact O-N 3.13Å
28	T	59.2	Low	63.7	Low	98 Å²	98	117.6 Å²	117.6	60%	0.601	58%	0.582	S	S	*	*			trans	-77.4	112.9	-174.9	18.4	0	0	0	0	104.3	E26 I30	E26-T28 WeakPolarHBondContact O-CA 3.43Å; E26-T28 PolarHBondContact O-N 2.69Å; E26-T28 PolarHBondContact O-OG1 3.26Å; T28-I30 PolarHBondContact O-N 2.85Å
29	P	63.3	Low	64.6	Low	83 Å²	83	116.9 Å²	116.9	54%	0.539	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-53.7	124	-179.5	18.9	-29.3	0	0	0	107.6	N27 R31 T55	N27-P29 WeakPolarHBondContact O-CD 3.47Å; N27-P29 VanDerWaalsContact O-N 3.13Å; P29-R31 PolarHBondContact O-N 3.15Å; P29-T55 HydrophobicContact CB-CG2 3.59Å
30	I	75.7	Confident	65.3	Low	114 Å²	114	116 Å²	116	59%	0.585	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-58.8	116.7	179.8	-62.2	174.5	0	0	0	106	T28 C56	T28-I30 PolarHBondContact O-N 2.85Å; I30-C56 HydrophobicContact CB-CB 4.06Å; I30-C56 HydrophobicContact CG2-CB 4.36Å; I30-C56 PolarHBondContact O-N 2.73Å
31	R	81.1	Confident	65.9	Low	218 Å²	218	109.2 Å²	109.2	82%	0.823	54%	0.543	S	S	*	.	B	Isolated β-bridge	trans	-79.7	138.3	177.2	-67.1	-170.2	-177.2	-175.9	1.2	108.9	P29 K54	P29-R31 PolarHBondContact O-N 3.15Å; R31-K54 VanDerWaalsContact CA-O 3.22Å; R31-K54 WeakPolarHBondContact CA-O 3.47Å
32	C	81.2	Confident	66.6	Low	6 Å²	6	104.7 Å²	104.7	4%	0.041	53%	0.528	C	S	.	.			trans	-125.5	150.6	175.6	52.4	0	0	0	0	108.8	D37 C38 C51 K54 T55	C32-D37 HydrophobicContact CB-CB 3.76Å; C32-C38 VanDerWaalsContact CB-SG 3.55Å; C32-C38 VanDerWaalsContact SG-SG 3.69Å; C32-C51 HydrophobicContact CB-CB 3.7Å; C32-C51 WeakPolarHBondContact CB-SG 3.1Å; C32-C51 WeakPolarHBondContact SG-CA 3.44Å; C32-C51 WeakPolarHBondContact SG-CB 3.48Å; C32-C51 CovalentContact SG-SG 2.02Å; C32-C51 PolarHBondContact SG-SG 3.05Å; C32-K54 PolarHBondContact N-O 3.21Å; C32-K54 CarbonylContact O-C 3.51Å; C32-K54 WeakPolarHBondContact O-CA 3.28Å; C32-K54 VanDerWaalsContact O-CB 3.28Å; C32-K54 WeakPolarHBondContact O-CB 3.39Å; C32-T55 PolarHBondContact SG-N 3.3Å
33	R	80.4	Confident	67.7	Low	163 Å²	163	105.1 Å²	105.1	62%	0.615	52%	0.521	S	S	*	.	S	Bend	trans	-106.5	-39.1	167.2	-175.4	175.1	178.7	167.4	-3.3	110	D37	R33-D37 WeakPolarHBondContact CA-OD2 3Å; R33-D37 PolarHBondContact N-OD2 2.55Å
34	R	73.2	Confident	68.7	Low	145 Å²	145	106.8 Å²	106.8	55%	0.547	52%	0.518	S	S	.	.	S	Bend	trans	-119	161.9	178.9	-67.9	-177.7	-73.3	-168.2	-3	110.6	D36 D37 D122	R34-D36 PolarHBondContact O-N 2.04Å; R34-D37 PolarHBondContact N-OD2 3.37Å; R34-D37 WeakPolarHBondContact O-CB 3.49Å; R34-D37 PolarHBondContact O-N 2.84Å; R34-D37 VanDerWaalsContact O-N 3.15Å; R34-D122 WeakPolarHBondContact CG-OD1 3.07Å
35	R	68.7	Low	70.2	Confident	101 Å²	101	101.5 Å²	101.5	38%	0.381	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-54.5	-40.6	176.3	-179.7	174.3	165.5	-171.9	-12.8	112.6	D37 C38 C78 M79	R35-D37 PolarHBondContact O-N 3.06Å; R35-C38 PolarHBondContact O-N 3.43Å; R35-C78 PolarHBondContact NH1-O 3.16Å; R35-C78 PolarHBondContact NH2-O 3.29Å; R35-M79 VanDerWaalsContact NH2-CA 3.34Å
36	D	71.1	Confident	71.6	Confident	132 Å²	132	93.9 Å²	93.9	71%	0.706	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-75.2	-8.2	-176.3	-55.8	-30.7	0	0	0	113.8	R34 C38	R34-D36 PolarHBondContact O-N 2.04Å; D36-C38 PolarHBondContact O-N 3.01Å
37	D	78.9	Confident	73.1	Confident	76 Å²	76	92.9 Å²	92.9	41%	0.406	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-73.3	-17.5	174.2	-61.1	-24.1	0	0	0	111.6	C32 R33 R34 R35	C32-D37 HydrophobicContact CB-CB 3.76Å; R33-D37 WeakPolarHBondContact CA-OD2 3Å; R33-D37 PolarHBondContact N-OD2 2.55Å; R34-D37 PolarHBondContact N-OD2 3.37Å; R34-D37 WeakPolarHBondContact O-CB 3.49Å; R34-D37 PolarHBondContact O-N 2.84Å; R34-D37 VanDerWaalsContact O-N 3.15Å; R35-D37 PolarHBondContact O-N 3.06Å
38	C	80.2	Confident	74.3	Confident	4 Å²	4	85.6 Å²	85.6	3%	0.027	43%	0.431	C	S	.	.	S	Bend	trans	-99.5	143.7	172.6	-54	0	0	0	0	109.4	C32 R35 D36 P40 C56	C32-C38 VanDerWaalsContact CB-SG 3.55Å; C32-C38 VanDerWaalsContact SG-SG 3.69Å; R35-C38 PolarHBondContact O-N 3.43Å; D36-C38 PolarHBondContact O-N 3.01Å; C38-P40 WeakPolarHBondContact O-CD 3.07Å; C38-C56 WeakPolarHBondContact CA-SG 3.25Å; C38-C56 HydrophobicContact CB-CB 3.87Å; C38-C56 WeakPolarHBondContact CB-SG 3.34Å; C38-C56 WeakPolarHBondContact SG-CA 3.14Å; C38-C56 WeakPolarHBondContact SG-CB 3.44Å; C38-C56 CovalentContact SG-SG 2.04Å; C38-C56 PolarHBondContact SG-SG 3.48Å
39	T	78.7	Confident	75.4	Confident	111 Å²	111	85.6 Å²	85.6	68%	0.681	42%	0.421	S	S	*	.			trans	-61.6	106.9	173	-51.6	0	0	0	0	109.5	Y49	T39-Y49 WeakPolarHBondContact O-CB 3.38Å; T39-Y49 PolarHBondContact O-N 3.17Å
40	P	73.5	Confident	76.1	Confident	64 Å²	64	81.9 Å²	81.9	42%	0.416	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-70.2	154	-176.6	30.8	-33.3	0	0	0	109.7	C38 G42	C38-P40 WeakPolarHBondContact O-CD 3.07Å; P40-G42 PolarHBondContact O-N 3.29Å
41	A	70.9	Confident	76.2	Confident	1 Å²	1	77 Å²	77	1%	0.008	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-63.1	128.5	167.8	0	0	0	0	0	109.3	D45 M79 N80 Y84	A41-D45 HydrophobicContact CB-CB 4.32Å; A41-M79 HydrophobicContact CB-CE 4.41Å; A41-N80 PolarHBondContact O-ND2 3.44Å; A41-Y84 HydrophobicContact CB-CD1 4.12Å; A41-Y84 HydrophobicContact CB-CE1 3.4Å; A41-Y84 HydrophobicContact CB-CE2 4.14Å; A41-Y84 VanDerWaalsContact CB-CZ 3.42Å
42	G	70	Confident	75.9	Confident	19 Å²	19	68.1 Å²	68.1	20%	0.196	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-65	164.7	164.4	0	0	0	0	0	111	P40 N44 D45 Y84	P40-G42 PolarHBondContact O-N 3.29Å; G42-N44 PolarHBondContact O-N 3.32Å; G42-N44 VanDerWaalsContact O-N 3.11Å; G42-D45 VanDerWaalsContact CA-OD2 3.25Å; G42-D45 WeakPolarHBondContact CA-OD2 3.31Å; G42-D45 PolarHBondContact N-OD2 3.27Å; G42-D45 PolarHBondContact O-N 3.45Å; G42-Y84 PolarHBondContact O-OH 3.11Å
43	P	68.1	Low	75.6	Confident	66 Å²	66	78.4 Å²	78.4	43%	0.429	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.4	-176.6	24.3	-34.3	0	0	0	113.3	N80 I82	P43-N80 HydrophobicContact CB-CB 4.43Å; P43-I82 VanDerWaalsContact O-CD1 3.23Å; P43-I82 WeakPolarHBondContact O-CD1 3.34Å
44	N	70.6	Confident	75.6	Confident	122 Å²	122	76.4 Å²	76.4	65%	0.652	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-3.4	-178.5	-61	-42.3	0	0	0	113.1	G42 R61	G42-N44 PolarHBondContact O-N 3.32Å; G42-N44 VanDerWaalsContact O-N 3.11Å; N44-R61 PolarHBondContact O-NH1 3.36Å
45	D	76.1	Confident	75.9	Confident	76 Å²	76	71.6 Å²	71.6	41%	0.406	36%	0.363	S	S	.	.			trans	-81	131.5	-174.8	-63.1	-29.4	0	0	0	110.5	A41 G42 F47 Y84	A41-D45 HydrophobicContact CB-CB 4.32Å; G42-D45 VanDerWaalsContact CA-OD2 3.25Å; G42-D45 WeakPolarHBondContact CA-OD2 3.31Å; G42-D45 PolarHBondContact N-OD2 3.27Å; G42-D45 PolarHBondContact O-N 3.45Å; D45-F47 VanDerWaalsContact C-N 3.29Å; D45-F47 WeakPolarHBondContact CB-O 2.93Å; D45-Y84 PolarHBondContact O-OH 3.46Å
46	V	79.6	Confident	76.4	Confident	58 Å²	58	67.7 Å²	67.7	35%	0.352	35%	0.351	S	S	.	.	S	Bend	trans	-72.8	-28.4	176.5	174.6	0	0	0	0	111.1	V60 R61 Y96	V46-V60 HydrophobicContact CG1-CG2 4.3Å; V46-V60 WeakPolarHBondContact O-CA 3.47Å; V46-V60 WeakPolarHBondContact O-CG2 3.22Å; V46-R61 PolarHBondContact O-N 2.77Å; V46-Y96 HydrophobicContact CG1-CD2 3.5Å; V46-Y96 HydrophobicContact CG1-CE2 3.53Å
47	F	80.1	Confident	76.8	Confident	136 Å²	136	63.3 Å²	63.3	60%	0.596	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	158.7	179.2	69.1	-87.2	0	0	0	110.2	D45 V59	D45-F47 VanDerWaalsContact C-N 3.29Å; D45-F47 WeakPolarHBondContact CB-O 2.93Å; F47-V59 VanDerWaalsContact CA-O 3.31Å; F47-V59 WeakPolarHBondContact CA-O 3.45Å
48	G	80	Confident	76.9	Confident	4 Å²	4	61.1 Å²	61.1	4%	0.041	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	-161.8	165	0	0	0	0	0	110.6	A58 V59	G48-A58 WeakPolarHBondContact O-CA 3.3Å; G48-V59 PolarHBondContact N-O 3.15Å; G48-V59 WeakPolarHBondContact O-CG2 3.03Å; G48-V59 PolarHBondContact O-N 3.38Å
49	Y	82.8	Confident	77	Confident	98 Å²	98	61 Å²	61	38%	0.384	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.8	178.5	-60.3	-90.7	0	0	0	110.2	T39 V57 A58	T39-Y49 WeakPolarHBondContact O-CB 3.38Å; T39-Y49 PolarHBondContact O-N 3.17Å; Y49-V57 WeakPolarHBondContact CA-O 3.13Å; Y49-A58 HydrophobicContact CD1-CB 4.33Å; Y49-A58 HydrophobicContact CE1-CB 4.02Å
50	M	77.7	Confident	77.2	Confident	5 Å²	5	56.2 Å²	56.2	3%	0.025	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	153.5	170.4	79.9	-175.1	-176.6	0	0	109.8	V52 C56 V57 V59 R77 M79 L86	M50-V52 HydrophobicContact CE-CG2 3.26Å; M50-V52 HydrophobicContact CG-CG2 3.78Å; M50-V52 PolarHBondContact O-N 3.26Å; M50-V52 HydrophobicContact SD-CG2 4.2Å; M50-C56 WeakPolarHBondContact O-CA 3.45Å; M50-V57 HydrophobicContact CE-CG2 4.43Å; M50-V57 HydrophobicContact CG-CG2 4.08Å; M50-V57 PolarHBondContact N-O 3.06Å; M50-V57 PolarHBondContact O-N 3.18Å; M50-V59 HydrophobicContact CB-CG1 4.33Å; M50-V59 HydrophobicContact CE-CG1 3.71Å; M50-V59 HydrophobicContact CG-CG1 3.6Å; M50-V59 HydrophobicContact SD-CG1 3.45Å; M50-V59 WeakPolarHBondContact SD-CG1 3.33Å; M50-R77 HydrophobicContact CE-CG 4.09Å; M50-R77 HydrophobicContact SD-CB 3.75Å; M50-R77 HydrophobicContact SD-CG 3.25Å; M50-R77 WeakPolarHBondContact SD-CG 3.32Å; M50-M79 HydrophobicContact CB-CE 4.44Å; M50-M79 HydrophobicContact CB-SD 4.43Å; M50-L86 HydrophobicContact CE-CD2 3.57Å; M50-L86 HydrophobicContact CE-CG 3.98Å
51	C	76.9	Confident	77.6	Confident	13 Å²	13	53.8 Å²	53.8	9%	0.088	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	120.8	173.5	-166.8	0	0	0	0	109.7	C32	C32-C51 HydrophobicContact CB-CB 3.7Å; C32-C51 WeakPolarHBondContact CB-SG 3.1Å; C32-C51 WeakPolarHBondContact SG-CA 3.44Å; C32-C51 WeakPolarHBondContact SG-CB 3.48Å; C32-C51 CovalentContact SG-SG 2.02Å; C32-C51 PolarHBondContact SG-SG 3.05Å
52	V	74.7	Confident	78	Confident	31 Å²	31	54.2 Å²	54.2	19%	0.188	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	125.3	169.7	178	0	0	0	0	107.9	M50 K54 T55 V57 L86	M50-V52 HydrophobicContact CE-CG2 3.26Å; M50-V52 HydrophobicContact CG-CG2 3.78Å; M50-V52 PolarHBondContact O-N 3.26Å; M50-V52 HydrophobicContact SD-CG2 4.2Å; V52-K54 PolarHBondContact O-N 2.89Å; V52-T55 PolarHBondContact N-O 3.28Å; V52-T55 PolarHBondContact O-N 2.02Å; V52-T55 VanDerWaalsContact O-O 3.07Å; V52-V57 HydrophobicContact CB-CG1 4.45Å; V52-V57 HydrophobicContact CB-CG2 3.75Å; V52-V57 HydrophobicContact CG2-CG2 3.45Å; V52-V57 VanDerWaalsContact CG2-CG2 3.45Å; V52-L86 HydrophobicContact CG2-CD2 4.32Å
53	R	76.4	Confident	78.6	Confident	222 Å²	222	55.6 Å²	55.6	84%	0.838	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	45.3	178.6	-63.1	-179.7	173.2	-178.3	-1.5	112.5	T55 E118	R53-T55 PolarHBondContact O-N 3.32Å; R53-E118 PolarHBondContact N-OE1 2.79Å
54	K	79.1	Confident	79.4	Confident	121 Å²	121	57.1 Å²	57.1	53%	0.526	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	20.7	179.8	-55.6	178.6	179.5	178.3	0	115.2	R31 C32 V52 D121	R31-K54 VanDerWaalsContact CA-O 3.22Å; R31-K54 WeakPolarHBondContact CA-O 3.47Å; C32-K54 PolarHBondContact N-O 3.21Å; C32-K54 CarbonylContact O-C 3.51Å; C32-K54 WeakPolarHBondContact O-CA 3.28Å; C32-K54 VanDerWaalsContact O-CB 3.28Å; C32-K54 WeakPolarHBondContact O-CB 3.39Å; V52-K54 PolarHBondContact O-N 2.89Å; K54-D121 VanDerWaalsContact CE-OD2 3.31Å; K54-D121 WeakPolarHBondContact CE-OD2 3.37Å; K54-D121 IonicContact NZ-OD2 2.71Å; K54-D121 PolarHBondContact NZ-OD2 3.35Å
55	T	79	Confident	80.1	Confident	44 Å²	44	51.7 Å²	51.7	27%	0.27	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.5	176.2	-59.6	0	0	0	0	110.4	P29 C32 V52 R53 V57	P29-T55 HydrophobicContact CB-CG2 3.59Å; C32-T55 PolarHBondContact SG-N 3.3Å; V52-T55 PolarHBondContact N-O 3.28Å; V52-T55 PolarHBondContact O-N 2.02Å; V52-T55 VanDerWaalsContact O-O 3.07Å; R53-T55 PolarHBondContact O-N 3.32Å; T55-V57 HydrophobicContact CG2-CG1 4.18Å; T55-V57 PolarHBondContact O-N 2.97Å
56	C	79.8	Confident	80.6	Confident	19 Å²	19	48.1 Å²	48.1	13%	0.128	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	111.3	169.7	-62.7	0	0	0	0	109.2	I30 C38 M50	I30-C56 HydrophobicContact CB-CB 4.06Å; I30-C56 HydrophobicContact CG2-CB 4.36Å; I30-C56 PolarHBondContact O-N 2.73Å; C38-C56 WeakPolarHBondContact CA-SG 3.25Å; C38-C56 HydrophobicContact CB-CB 3.87Å; C38-C56 WeakPolarHBondContact CB-SG 3.34Å; C38-C56 WeakPolarHBondContact SG-CA 3.14Å; C38-C56 WeakPolarHBondContact SG-CB 3.44Å; C38-C56 CovalentContact SG-SG 2.04Å; C38-C56 PolarHBondContact SG-SG 3.48Å; M50-C56 WeakPolarHBondContact O-CA 3.45Å
57	V	79.4	Confident	80.9	Confident	39 Å²	39	51 Å²	51	24%	0.236	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	144.9	177.4	-63.4	0	0	0	0	109.7	Y49 M50 V52 T55 L86	Y49-V57 WeakPolarHBondContact CA-O 3.13Å; M50-V57 HydrophobicContact CE-CG2 4.43Å; M50-V57 HydrophobicContact CG-CG2 4.08Å; M50-V57 PolarHBondContact N-O 3.06Å; M50-V57 PolarHBondContact O-N 3.18Å; V52-V57 HydrophobicContact CB-CG1 4.45Å; V52-V57 HydrophobicContact CB-CG2 3.75Å; V52-V57 HydrophobicContact CG2-CG2 3.45Å; V52-V57 VanDerWaalsContact CG2-CG2 3.45Å; T55-V57 HydrophobicContact CG2-CG1 4.18Å; T55-V57 PolarHBondContact O-N 2.97Å; V57-L86 HydrophobicContact CB-CD2 4.29Å; V57-L86 HydrophobicContact CG2-CD2 3.5Å
58	A	81.8	Confident	81.1	Confident	30 Å²	30	53.3 Å²	53.3	25%	0.248	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	136.1	175.6	0	0	0	0	0	109.9	G48 Y49 W87	G48-A58 WeakPolarHBondContact O-CA 3.3Å; Y49-A58 HydrophobicContact CD1-CB 4.33Å; Y49-A58 HydrophobicContact CE1-CB 4.02Å; A58-W87 HydrophobicContact CB-CB 4.23Å; A58-W87 HydrophobicContact CB-CE3 3.93Å; A58-W87 WeakPolarHBondContact O-CB 3.19Å; A58-W87 PolarHBondContact O-N 2.94Å
59	V	81.5	Confident	81.1	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	154.3	174.2	-66.8	0	0	0	0	110.4	F47 G48 M50 M79 Y84 E85 L86	F47-V59 VanDerWaalsContact CA-O 3.31Å; F47-V59 WeakPolarHBondContact CA-O 3.45Å; G48-V59 PolarHBondContact N-O 3.15Å; G48-V59 WeakPolarHBondContact O-CG2 3.03Å; G48-V59 PolarHBondContact O-N 3.38Å; M50-V59 HydrophobicContact CB-CG1 4.33Å; M50-V59 HydrophobicContact CE-CG1 3.71Å; M50-V59 HydrophobicContact CG-CG1 3.6Å; M50-V59 HydrophobicContact SD-CG1 3.45Å; M50-V59 WeakPolarHBondContact SD-CG1 3.33Å; V59-M79 HydrophobicContact CG2-CE 3.55Å; V59-Y84 HydrophobicContact CG2-CD1 4.03Å; V59-Y84 HydrophobicContact CG2-CG 4.31Å; V59-E85 CarbonylContact C-O 3.41Å; V59-E85 WeakPolarHBondContact CA-O 3.18Å; V59-E85 VanDerWaalsContact CB-O 3.29Å; V59-E85 WeakPolarHBondContact CB-O 3.25Å; V59-L86 HydrophobicContact CG1-CD2 4.32Å
60	V	83.2	Confident	81	Confident	11 Å²	11	56.5 Å²	56.5	7%	0.067	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143	179	76.4	0	0	0	0	109.5	V46 Y84 E85 W87 Y96	V46-V60 HydrophobicContact CG1-CG2 4.3Å; V46-V60 WeakPolarHBondContact O-CA 3.47Å; V46-V60 WeakPolarHBondContact O-CG2 3.22Å; V60-Y84 CarbonylContact O-C 3.49Å; V60-Y84 VanDerWaalsContact O-CA 3.28Å; V60-Y84 WeakPolarHBondContact O-CA 3.23Å; V60-E85 PolarHBondContact N-O 3.01Å; V60-E85 PolarHBondContact O-N 2.89Å; V60-W87 HydrophobicContact CB-CB 4.48Å; V60-Y96 WeakPolarHBondContact CG1-OH 3.31Å; V60-Y96 HydrophobicContact CG2-CE2 3.7Å; V60-Y96 WeakPolarHBondContact CG2-OH 3Å
61	R	82.5	Confident	81.2	Confident	14 Å²	14	59.2 Å²	59.2	5%	0.053	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	144.9	176.5	-171.1	166.5	74.1	-162.5	8.7	109.5	N44 V46 I82 Y84 Y96 L97	N44-R61 PolarHBondContact O-NH1 3.36Å; V46-R61 PolarHBondContact O-N 2.77Å; R61-I82 HydrophobicContact CG-CG2 3.69Å; R61-Y84 HydrophobicContact CB-CD1 4.19Å; R61-Y84 HydrophobicContact CB-CE1 3.8Å; R61-Y84 HydrophobicContact CG-CE1 4.34Å; R61-Y96 HydrophobicContact CB-CD1 4.45Å; R61-Y96 VanDerWaalsContact O-CD1 3.31Å; R61-Y96 WeakPolarHBondContact O-CD1 3.18Å; R61-Y96 WeakPolarHBondContact O-CE1 2.7Å; R61-Y96 PolarHBondContact O-OH 2.88Å; R61-L97 PolarHBondContact NH2-O 3.01Å
62	S	78.8	Confident	81.4	Confident	10 Å²	10	59 Å²	59	7%	0.07	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	173.8	170.8	-170.3	0	0	0	0	109.7	Y64 C83 E85	S62-Y64 PolarHBondContact O-N 3.11Å; S62-C83 VanDerWaalsContact CB-O 3.31Å; S62-C83 WeakPolarHBondContact CB-O 3.39Å; S62-C83 PolarHBondContact N-O 2.02Å; S62-E85 VanDerWaalsContact CB-OE1 3.3Å; S62-E85 WeakPolarHBondContact CB-OE1 3.31Å; S62-E85 PolarHBondContact OG-OE1 2.04Å
63	N	82.7	Confident	81.5	Confident	47 Å²	47	57.9 Å²	57.9	25%	0.251	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	24	178.5	-72.4	-37.3	0	0	0	113.4	T95 Y96 L97 P104	N63-T95 PolarHBondContact ND2-O 2.8Å; N63-T95 PolarHBondContact OD1-O 2.75Å; N63-Y96 VanDerWaalsContact OD1-CA 3.32Å; N63-Y96 WeakPolarHBondContact OD1-CA 3.3Å; N63-L97 PolarHBondContact OD1-N 3.28Å; N63-P104 WeakPolarHBondContact O-CD 3.32Å; N63-P104 WeakPolarHBondContact O-CG 3.39Å
64	Y	84.4	Confident	81.2	Confident	99 Å²	99	54.4 Å²	54.4	39%	0.388	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.3	-178.1	-61.5	-77.3	0	0	0	111.2	S62 C83 P104 Y106	S62-Y64 PolarHBondContact O-N 3.11Å; Y64-C83 WeakPolarHBondContact O-CB 3.48Å; Y64-C83 PolarHBondContact O-N 2.7Å; Y64-P104 CarbonylContact C-O 3.56Å; Y64-P104 VanDerWaalsContact CA-O 3.29Å; Y64-P104 WeakPolarHBondContact CA-O 3.42Å; Y64-P104 HydrophobicContact CD1-CB 4.47Å; Y64-P104 HydrophobicContact CD1-CG 3.94Å; Y64-P104 HydrophobicContact CE1-CG 4.16Å; Y64-Y106 HydrophobicContact CD1-CD2 4.44Å; Y64-Y106 HydrophobicContact CD2-CD2 4.12Å; Y64-Y106 HydrophobicContact CG-CD2 4.03Å
65	S	86.3	Confident	80.7	Confident	7 Å²	7	49.7 Å²	49.7	5%	0.049	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	154.6	165.4	61.3	0	0	0	0	110.3	G81 L103 P104 E105 Y106	S65-G81 WeakPolarHBondContact CA-O 3.08Å; S65-G81 WeakPolarHBondContact CB-O 3.36Å; S65-L103 PolarHBondContact OG-O 3.05Å; S65-P104 PolarHBondContact N-O 3.17Å; S65-P104 PolarHBondContact OG-O 3.36Å; S65-E105 WeakPolarHBondContact O-CA 2.79Å; S65-E105 WeakPolarHBondContact OG-CA 3.49Å; S65-E105 PolarHBondContact OG-N 3.45Å; S65-E105 PolarHBondContact OG-OE2 3.35Å; S65-Y106 PolarHBondContact O-N 3Å
66	C	86.3	Confident	80.6	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.014	25%	0.248	C	C	.	.			trans	-125.8	25.1	173.2	54.4	0	0	0	0	110.4	K68 G70 R71 C78 G81 I82 E105	C66-K68 VanDerWaalsContact C-N 3.32Å; C66-K68 PolarHBondContact O-N 2.87Å; C66-G70 VanDerWaalsContact O-CA 3.22Å; C66-G70 WeakPolarHBondContact O-CA 3.4Å; C66-G70 PolarHBondContact O-N 3.15Å; C66-R71 WeakPolarHBondContact CB-O 3.2Å; C66-C78 HydrophobicContact CB-CB 3.69Å; C66-C78 WeakPolarHBondContact CB-SG 3.02Å; C66-C78 WeakPolarHBondContact SG-CA 2.98Å; C66-C78 WeakPolarHBondContact SG-CB 3.31Å; C66-C78 CovalentContact SG-SG 2.02Å; C66-C78 PolarHBondContact SG-SG 2.91Å; C66-G81 PolarHBondContact N-O 2.75Å; C66-I82 PolarHBondContact SG-N 3.4Å; C66-I82 VanDerWaalsContact SG-N 3.41Å; C66-I82 PolarHBondContact SG-O 2.64Å; C66-E105 VanDerWaalsContact CA-OE1 3.23Å; C66-E105 WeakPolarHBondContact CA-OE1 3.29Å
67	R	84.9	Confident	80.6	Confident	118 Å²	118	49.5 Å²	49.5	45%	0.445	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-35.8	-174	-68.1	177.5	-176.2	-167.6	-4.4	111.6	G81 T100 D101 E105	R67-G81 WeakPolarHBondContact CG-O 3.43Å; R67-T100 PolarHBondContact NH2-O 3.34Å; R67-T100 VanDerWaalsContact NH2-O 3.16Å; R67-D101 IonicContact CZ-OD1 3.6Å; R67-D101 IonicContact NH1-OD1 2.92Å; R67-D101 PolarHBondContact NH1-OD1 2.97Å; R67-D101 IonicContact NH2-OD1 3.8Å; R67-D101 PolarHBondContact NH2-OD1 3.48Å; R67-E105 PolarHBondContact N-OE1 2.82Å; R67-E105 PolarHBondContact N-OE2 2.62Å
68	K	84.6	Confident	80.7	Confident	184 Å²	184	49.3 Å²	49.3	80%	0.8	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-39.6	-174.9	-61.2	178.3	179.2	175.3	0	112.6	C66 E105	C66-K68 VanDerWaalsContact C-N 3.32Å; C66-K68 PolarHBondContact O-N 2.87Å; K68-E105 HydrophobicContact CB-CG 4.11Å; K68-E105 WeakPolarHBondContact CB-OE2 3.5Å; K68-E105 VanDerWaalsContact N-CD 3.32Å; K68-E105 PolarHBondContact N-OE1 3.44Å; K68-E105 PolarHBondContact N-OE2 2.86Å
69	R	80.9	Confident	80.7	Confident	116 Å²	116	48 Å²	48	44%	0.438	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-14.8	-173	-58.6	-166.8	-178.2	-164.8	16.1	113.5	R71 E105 Y106 D107	R69-R71 HydrophobicContact CB-CG 3.73Å; R69-R71 PolarHBondContact O-N 3.4Å; R69-E105 WeakPolarHBondContact CB-OE1 3.23Å; R69-E105 HydrophobicContact CG-CG 3.93Å; R69-E105 PolarHBondContact N-OE1 3.2Å; R69-Y106 WeakPolarHBondContact CD-O 3.1Å; R69-D107 IonicContact CZ-OD1 3.68Å; R69-D107 IonicContact CZ-OD2 3.38Å; R69-D107 IonicContact NH1-OD1 3.96Å; R69-D107 PolarHBondContact NH1-OD1 3.19Å; R69-D107 IonicContact NH1-OD2 2.78Å; R69-D107 IonicContact NH2-OD1 3.21Å; R69-D107 PolarHBondContact NH2-OD1 3.41Å; R69-D107 IonicContact NH2-OD2 2.62Å; R69-D107 PolarHBondContact NH2-OD2 2.92Å
70	G	80.9	Confident	80.7	Confident	53 Å²	53	52.4 Å²	52.4	55%	0.546	26%	0.263	S	S	.	.			trans	66.2	16.2	178.4	0	0	0	0	0	114.6	C66	C66-G70 VanDerWaalsContact O-CA 3.22Å; C66-G70 WeakPolarHBondContact O-CA 3.4Å; C66-G70 PolarHBondContact O-N 3.15Å
71	R	81.5	Confident	80.7	Confident	62 Å²	62	52.6 Å²	52.6	23%	0.234	27%	0.267	C	S	.	.			trans	-131.1	156.5	-172.8	62.6	170.5	-175.3	-166.8	12	113	C66 R69 Y106 D107 D110	C66-R71 WeakPolarHBondContact CB-O 3.2Å; R69-R71 HydrophobicContact CB-CG 3.73Å; R69-R71 PolarHBondContact O-N 3.4Å; R71-Y106 HydrophobicContact CG-CD1 4.25Å; R71-D107 IonicContact NH2-OD1 2.6Å; R71-D110 WeakPolarHBondContact CD-OD1 3.03Å; R71-D110 IonicContact CZ-OD1 3.13Å; R71-D110 IonicContact NE-OD1 3Å; R71-D110 IonicContact NH1-OD1 2.92Å; R71-D110 PolarHBondContact NH1-OD1 3.36Å; R71-D110 IonicContact NH1-OD2 3.94Å; R71-D110 PolarHBondContact NH1-OD2 3.09Å
72	C	81.4	Confident	80.8	Confident	10 Å²	10	52 Å²	52	7%	0.068	27%	0.265	C	S	.	.			trans	-140.4	170.8	-179.3	-60.5	0	0	0	0	110.1	C83 Y106	C72-C83 VanDerWaalsContact CA-SG 3.52Å; C72-C83 HydrophobicContact CB-CB 3.75Å; C72-C83 WeakPolarHBondContact CB-SG 3.24Å; C72-C83 WeakPolarHBondContact SG-CA 3.01Å; C72-C83 WeakPolarHBondContact SG-CB 3.22Å; C72-C83 CovalentContact SG-SG 2.04Å; C72-C83 PolarHBondContact SG-SG 3.45Å; C72-Y106 VanDerWaalsContact C-CE1 3.41Å
73	G	75.9	Confident	81.1	Confident	7 Å²	7	51.6 Å²	51.6	7%	0.072	26%	0.262	C	S	.	.	S	Bend	trans	-71.4	-167.3	179.1	0	0	0	0	0	115	G75 G76 Y106	G73-G75 PolarHBondContact O-N 2.82Å; G73-G76 WeakPolarHBondContact O-CA 2.95Å; G73-G76 PolarHBondContact O-N 3.05Å; G73-Y106 WeakPolarHBondContact CA-OH 3.34Å; G73-Y106 VanDerWaalsContact N-CZ 3.26Å
74	I	70.7	Confident	81.2	Confident	149 Å²	149	49.3 Å²	49.3	76%	0.764	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	124.4	-171.6	-58.3	170.9	0	0	0	112.3	G76 A111	I74-G76 PolarHBondContact O-N 2.78Å; I74-A111 HydrophobicContact CB-CB 3.78Å; I74-A111 HydrophobicContact CG1-CB 3.31Å; I74-A111 HydrophobicContact CG2-CB 4.48Å
75	G	68.9	Low	81	Confident	21 Å²	21	47.7 Å²	47.7	22%	0.216	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	5.2	-175.2	0	0	0	0	0	113.6	G73	G73-G75 PolarHBondContact O-N 2.82Å
76	G	76.5	Confident	80.5	Confident	11 Å²	11	49.6 Å²	49.6	11%	0.113	26%	0.255	C	S	.	.			trans	-85	147.4	-178.2	0	0	0	0	0	113	G73 I74 Y84	G73-G76 WeakPolarHBondContact O-CA 2.95Å; G73-G76 PolarHBondContact O-N 3.05Å; I74-G76 PolarHBondContact O-N 2.78Å; G76-Y84 CarbonylContact C-O 3.5Å; G76-Y84 WeakPolarHBondContact CA-O 3.41Å
77	R	79.5	Confident	79.9	Confident	49 Å²	49	56.5 Å²	56.5	19%	0.185	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	142.1	171.9	-78.9	-73.7	-172.2	-88.6	-12.8	110.9	M50 M79 Y84 T114 E118	M50-R77 HydrophobicContact CE-CG 4.09Å; M50-R77 HydrophobicContact SD-CB 3.75Å; M50-R77 HydrophobicContact SD-CG 3.25Å; M50-R77 WeakPolarHBondContact SD-CG 3.32Å; R77-M79 HydrophobicContact CB-CG 4.16Å; R77-Y84 PolarHBondContact N-O 2.94Å; R77-Y84 PolarHBondContact O-N 2.71Å; R77-T114 PolarHBondContact NH1-OG1 2.75Å; R77-T114 PolarHBondContact NH2-OG1 3.3Å; R77-E118 IonicContact CZ-OE2 3.57Å; R77-E118 IonicContact NH2-OE2 2.89Å; R77-E118 PolarHBondContact NH2-OE2 2.86Å
78	C	82.2	Confident	79	Confident	35 Å²	35	56.9 Å²	56.9	24%	0.236	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	116.3	169.4	-173.6	0	0	0	0	110.3	R35 C66	R35-C78 PolarHBondContact NH1-O 3.16Å; R35-C78 PolarHBondContact NH2-O 3.29Å; C66-C78 HydrophobicContact CB-CB 3.69Å; C66-C78 WeakPolarHBondContact CB-SG 3.02Å; C66-C78 WeakPolarHBondContact SG-CA 2.98Å; C66-C78 WeakPolarHBondContact SG-CB 3.31Å; C66-C78 CovalentContact SG-SG 2.02Å; C66-C78 PolarHBondContact SG-SG 2.91Å
79	M	81.1	Confident	77.9	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	123.6	178.6	-48.4	-155.2	-88.7	0	0	109.8	R35 A41 M50 V59 R77 G81 I82 Y84	R35-M79 VanDerWaalsContact NH2-CA 3.34Å; A41-M79 HydrophobicContact CB-CE 4.41Å; M50-M79 HydrophobicContact CB-CE 4.44Å; M50-M79 HydrophobicContact CB-SD 4.43Å; V59-M79 HydrophobicContact CG2-CE 3.55Å; R77-M79 HydrophobicContact CB-CG 4.16Å; M79-G81 PolarHBondContact O-N 3.27Å; M79-G81 VanDerWaalsContact O-N 3.15Å; M79-I82 PolarHBondContact N-O 2.84Å; M79-I82 PolarHBondContact O-N 2.63Å; M79-I82 VanDerWaalsContact O-O 3.07Å; M79-Y84 HydrophobicContact CB-CD2 3.77Å; M79-Y84 HydrophobicContact CB-CE2 3.97Å; M79-Y84 HydrophobicContact CE-CD1 4.05Å; M79-Y84 HydrophobicContact CE-CD2 3.64Å; M79-Y84 HydrophobicContact CE-CE2 4.36Å; M79-Y84 HydrophobicContact CE-CG 3.47Å; M79-Y84 VanDerWaalsContact CE-CG 3.47Å; M79-Y84 HydrophobicContact CG-CD2 4.07Å
80	N	80.8	Confident	76.4	Confident	95 Å²	95	53.9 Å²	53.9	51%	0.508	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	33.3	-177.1	-55.7	-38.8	0	0	0	113.4	A41 P43 I82	A41-N80 PolarHBondContact O-ND2 3.44Å; P43-N80 HydrophobicContact CB-CB 4.43Å; N80-I82 VanDerWaalsContact C-N 3.26Å; N80-I82 PolarHBondContact O-N 2.7Å
81	G	84.4	Confident	75	Confident	15 Å²	15	53.6 Å²	53.6	16%	0.155	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	7.9	-177.5	0	0	0	0	0	114.9	S65 C66 R67 M79	S65-G81 WeakPolarHBondContact CA-O 3.08Å; S65-G81 WeakPolarHBondContact CB-O 3.36Å; C66-G81 PolarHBondContact N-O 2.75Å; R67-G81 WeakPolarHBondContact CG-O 3.43Å; M79-G81 PolarHBondContact O-N 3.27Å; M79-G81 VanDerWaalsContact O-N 3.15Å
82	I	85	Confident	73.4	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.9	179.6	-57.1	163.1	0	0	0	109.2	P43 R61 C66 M79 N80 Y84 T100 L103	P43-I82 VanDerWaalsContact O-CD1 3.23Å; P43-I82 WeakPolarHBondContact O-CD1 3.34Å; R61-I82 HydrophobicContact CG-CG2 3.69Å; C66-I82 PolarHBondContact SG-N 3.4Å; C66-I82 VanDerWaalsContact SG-N 3.41Å; C66-I82 PolarHBondContact SG-O 2.64Å; M79-I82 PolarHBondContact N-O 2.84Å; M79-I82 PolarHBondContact O-N 2.63Å; M79-I82 VanDerWaalsContact O-O 3.07Å; N80-I82 VanDerWaalsContact C-N 3.26Å; N80-I82 PolarHBondContact O-N 2.7Å; I82-Y84 HydrophobicContact CB-CE2 3.99Å; I82-Y84 HydrophobicContact CG2-CD2 4.49Å; I82-Y84 HydrophobicContact CG2-CE2 4.04Å; I82-T100 HydrophobicContact CD1-CG2 3.59Å; I82-L103 HydrophobicContact CG1-CD1 4.39Å; I82-L103 HydrophobicContact CG2-CD1 4.01Å
83	C	84.6	Confident	71.8	Confident	1 Å²	1	60 Å²	60	1%	0.007	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	132.9	173.3	-72.5	0	0	0	0	111.4	S62 Y64 C72	S62-C83 VanDerWaalsContact CB-O 3.31Å; S62-C83 WeakPolarHBondContact CB-O 3.39Å; S62-C83 PolarHBondContact N-O 2.02Å; Y64-C83 WeakPolarHBondContact O-CB 3.48Å; Y64-C83 PolarHBondContact O-N 2.7Å; C72-C83 VanDerWaalsContact CA-SG 3.52Å; C72-C83 HydrophobicContact CB-CB 3.75Å; C72-C83 WeakPolarHBondContact CB-SG 3.24Å; C72-C83 WeakPolarHBondContact SG-CA 3.01Å; C72-C83 WeakPolarHBondContact SG-CB 3.22Å; C72-C83 CovalentContact SG-SG 2.04Å; C72-C83 PolarHBondContact SG-SG 3.45Å
84	Y	83.7	Confident	70.4	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.8	171.3	-74.6	-97.1	0	0	0	109.3	A41 G42 D45 V59 V60 R61 G76 R77 M79 I82	A41-Y84 HydrophobicContact CB-CD1 4.12Å; A41-Y84 HydrophobicContact CB-CE1 3.4Å; A41-Y84 HydrophobicContact CB-CE2 4.14Å; A41-Y84 VanDerWaalsContact CB-CZ 3.42Å; G42-Y84 PolarHBondContact O-OH 3.11Å; D45-Y84 PolarHBondContact O-OH 3.46Å; V59-Y84 HydrophobicContact CG2-CD1 4.03Å; V59-Y84 HydrophobicContact CG2-CG 4.31Å; V60-Y84 CarbonylContact O-C 3.49Å; V60-Y84 VanDerWaalsContact O-CA 3.28Å; V60-Y84 WeakPolarHBondContact O-CA 3.23Å; R61-Y84 HydrophobicContact CB-CD1 4.19Å; R61-Y84 HydrophobicContact CB-CE1 3.8Å; R61-Y84 HydrophobicContact CG-CE1 4.34Å; G76-Y84 CarbonylContact C-O 3.5Å; G76-Y84 WeakPolarHBondContact CA-O 3.41Å; R77-Y84 PolarHBondContact N-O 2.94Å; R77-Y84 PolarHBondContact O-N 2.71Å; M79-Y84 HydrophobicContact CB-CD2 3.77Å; M79-Y84 HydrophobicContact CB-CE2 3.97Å; M79-Y84 HydrophobicContact CE-CD1 4.05Å; M79-Y84 HydrophobicContact CE-CD2 3.64Å; M79-Y84 HydrophobicContact CE-CE2 4.36Å; M79-Y84 HydrophobicContact CE-CG 3.47Å; M79-Y84 VanDerWaalsContact CE-CG 3.47Å; M79-Y84 HydrophobicContact CG-CD2 4.07Å; I82-Y84 HydrophobicContact CB-CE2 3.99Å; I82-Y84 HydrophobicContact CG2-CD2 4.49Å; I82-Y84 HydrophobicContact CG2-CE2 4.04Å
85	E	81	Confident	69.4	Low	65 Å²	65	62.6 Å²	62.6	30%	0.304	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	156.7	-179.6	-69.4	170.2	-157.5	0	0	110.5	V59 V60 S62 W87	V59-E85 CarbonylContact C-O 3.41Å; V59-E85 WeakPolarHBondContact CA-O 3.18Å; V59-E85 VanDerWaalsContact CB-O 3.29Å; V59-E85 WeakPolarHBondContact CB-O 3.25Å; V60-E85 PolarHBondContact N-O 3.01Å; V60-E85 PolarHBondContact O-N 2.89Å; S62-E85 VanDerWaalsContact CB-OE1 3.3Å; S62-E85 WeakPolarHBondContact CB-OE1 3.31Å; S62-E85 PolarHBondContact OG-OE1 2.04Å; E85-W87 PolarHBondContact O-N 3.25Å
86	L	76.8	Confident	68.7	Low	46 Å²	46	63.5 Å²	63.5	24%	0.241	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	128.4	175.2	-74.3	170.2	0	0	0	110.6	M50 V52 V57 V59 H88	M50-L86 HydrophobicContact CE-CD2 3.57Å; M50-L86 HydrophobicContact CE-CG 3.98Å; V52-L86 HydrophobicContact CG2-CD2 4.32Å; V57-L86 HydrophobicContact CB-CD2 4.29Å; V57-L86 HydrophobicContact CG2-CD2 3.5Å; V59-L86 HydrophobicContact CG1-CD2 4.32Å; L86-H88 PolarHBondContact O-CD2 2.84Å; L86-H88 VanDerWaalsContact O-CD2 3.24Å; L86-H88 PolarHBondContact O-N 2.8Å
87	W	73.3	Confident	67.7	Low	147 Å²	147	67.4 Å²	67.4	56%	0.557	36%	0.359	S	S	*	.			trans	-75.2	102.7	175.2	-177.6	57.9	0	0	0	109.2	A58 V60 E85 G89	A58-W87 HydrophobicContact CB-CB 4.23Å; A58-W87 HydrophobicContact CB-CE3 3.93Å; A58-W87 WeakPolarHBondContact O-CB 3.19Å; A58-W87 PolarHBondContact O-N 2.94Å; V60-W87 HydrophobicContact CB-CB 4.48Å; E85-W87 PolarHBondContact O-N 3.25Å; W87-G89 PolarHBondContact O-N 3.01Å
88	H	66.3	Low	66.7	Low	127 Å²	127	70.4 Å²	70.4	59%	0.588	39%	0.387	S	S	*	.			trans	-84.1	10.4	179.3	-67.4	-66.1	0	0	0	113.4	L86 F90	L86-H88 PolarHBondContact O-CD2 2.84Å; L86-H88 VanDerWaalsContact O-CD2 3.24Å; L86-H88 PolarHBondContact O-N 2.8Å; H88-F90 WeakPolarHBondContact O-CD2 3.28Å; H88-F90 PolarHBondContact O-N 2.98Å
89	G	60.9	Low	66	Low	48 Å²	48	72.3 Å²	72.3	50%	0.495	40%	0.395	S	S	.	.	S	Bend	trans	72.3	-22	-176.5	0	0	0	0	0	114.9	W87	W87-G89 PolarHBondContact O-N 3.01Å
90	F	49.1	Very low	65.3	Low	189 Å²	189	72.8 Å²	72.8	83%	0.829	40%	0.398	S	S	*	.			trans	-99.8	-11.5	178.9	-63.5	-76	0	0	0	114.3	H88 N92	H88-F90 WeakPolarHBondContact O-CD2 3.28Å; H88-F90 PolarHBondContact O-N 2.98Å; F90-N92 VanDerWaalsContact C-N 3.28Å; F90-N92 PolarHBondContact O-N 2.88Å
91	T	52	Low	64.8	Low	47 Å²	47	73.7 Å²	73.7	29%	0.288	40%	0.403	S	S	.	.			trans	-70.2	92.7	175.7	35.1	0	0	0	0	108.2	P93	T91-P93 WeakPolarHBondContact O-CD 3.31Å
92	N	47.2	Very low	64.5	Low	123 Å²	123	80.5 Å²	80.5	66%	0.658	43%	0.431	S	S	*	.			trans	-56.6	122.7	167.9	-91.9	-29.5	0	0	0	107.4	F90 T94	F90-N92 VanDerWaalsContact C-N 3.28Å; F90-N92 PolarHBondContact O-N 2.88Å; N92-T94 HydrophobicContact CB-CG2 3.79Å; N92-T94 PolarHBondContact O-N 3.23Å; N92-T94 PolarHBondContact O-OG1 2.96Å
93	P	49.1	Very low	64.3	Low	82 Å²	82	80.9 Å²	80.9	53%	0.532	43%	0.433	S	S	.	.			trans	-74.5	49.3	177	34.6	-38.3	0	0	0	109.6	T91 T95 Y96	T91-P93 WeakPolarHBondContact O-CD 3.31Å; P93-T95 VanDerWaalsContact C-N 3.31Å; P93-T95 PolarHBondContact O-N 3.36Å; P93-Y96 VanDerWaalsContact CA-CE2 3.44Å; P93-Y96 HydrophobicContact CB-CD2 3.85Å; P93-Y96 HydrophobicContact CB-CE2 3.2Å
94	T	45.8	Very low	64.3	Low	108 Å²	108	84 Å²	84	66%	0.663	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-11.2	-164	35.5	0	0	0	0	113.9	N92	N92-T94 HydrophobicContact CB-CG2 3.79Å; N92-T94 PolarHBondContact O-N 3.23Å; N92-T94 PolarHBondContact O-OG1 2.96Å
95	T	50	Low	64.3	Low	103 Å²	103	85.9 Å²	85.9	63%	0.632	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-162.8	66.7	179.2	31.2	0	0	0	0	109.8	N63 P93 L97	N63-T95 PolarHBondContact ND2-O 2.8Å; N63-T95 PolarHBondContact OD1-O 2.75Å; P93-T95 VanDerWaalsContact C-N 3.31Å; P93-T95 PolarHBondContact O-N 3.36Å; T95-L97 PolarHBondContact O-N 3.24Å
96	Y	53.4	Low	64.4	Low	40 Å²	40	84.1 Å²	84.1	16%	0.157	45%	0.452	C	S	.	.			trans	-77.6	116.1	160.9	-61	-52.1	0	0	0	107.7	V46 V60 R61 N63 P93 S98	V46-Y96 HydrophobicContact CG1-CD2 3.5Å; V46-Y96 HydrophobicContact CG1-CE2 3.53Å; V60-Y96 WeakPolarHBondContact CG1-OH 3.31Å; V60-Y96 HydrophobicContact CG2-CE2 3.7Å; V60-Y96 WeakPolarHBondContact CG2-OH 3Å; R61-Y96 HydrophobicContact CB-CD1 4.45Å; R61-Y96 VanDerWaalsContact O-CD1 3.31Å; R61-Y96 WeakPolarHBondContact O-CD1 3.18Å; R61-Y96 WeakPolarHBondContact O-CE1 2.7Å; R61-Y96 PolarHBondContact O-OH 2.88Å; N63-Y96 VanDerWaalsContact OD1-CA 3.32Å; N63-Y96 WeakPolarHBondContact OD1-CA 3.3Å; P93-Y96 VanDerWaalsContact CA-CE2 3.44Å; P93-Y96 HydrophobicContact CB-CD2 3.85Å; P93-Y96 HydrophobicContact CB-CE2 3.2Å; Y96-S98 PolarHBondContact O-N 3.06Å
97	L	54.8	Low	64.6	Low	93 Å²	93	87 Å²	87	49%	0.487	47%	0.468	S	S	.	.			trans	-51.5	118.4	167.9	-70.3	167	0	0	0	106.7	R61 N63 T95 D99 L103	R61-L97 PolarHBondContact NH2-O 3.01Å; N63-L97 PolarHBondContact OD1-N 3.28Å; T95-L97 PolarHBondContact O-N 3.24Å; L97-D99 PolarHBondContact O-N 2.93Å; L97-L103 HydrophobicContact CB-CD2 3.64Å; L97-L103 HydrophobicContact CD1-CD2 3.72Å; L97-L103 HydrophobicContact CG-CD2 4.26Å
98	S	59.4	Low	64.8	Low	113 Å²	113	81 Å²	81	79%	0.79	45%	0.452	S	S	*	.	S	Bend	trans	-64.8	-28.5	-177.5	-61.6	0	0	0	0	110.8	Y96 T100	Y96-S98 PolarHBondContact O-N 3.06Å; S98-T100 PolarHBondContact O-N 3.37Å
99	D	66.5	Low	65	Low	74 Å²	74	79.8 Å²	79.8	40%	0.396	46%	0.455	S	S	.	.			trans	-87.8	104.5	178.3	-156.1	-31	0	0	0	110.7	L97 D101 E102	L97-D99 PolarHBondContact O-N 2.93Å; D99-D101 PolarHBondContact O-N 3.35Å; D99-D101 WeakPolarHBondContact OD1-CB 3.43Å; D99-D101 PolarHBondContact OD1-N 3.5Å; D99-E102 HydrophobicContact CB-CB 4.45Å; D99-E102 HydrophobicContact CB-CG 4.49Å
100	T	67.8	Low	64.9	Low	12 Å²	12	82.3 Å²	82.3	7%	0.074	46%	0.457	C	S	.	.	S	Bend	trans	-75.3	-16	178.6	66.5	0	0	0	0	112.7	R67 I82 S98	R67-T100 PolarHBondContact NH2-O 3.34Å; R67-T100 VanDerWaalsContact NH2-O 3.16Å; I82-T100 HydrophobicContact CD1-CG2 3.59Å; S98-T100 PolarHBondContact O-N 3.37Å
101	D	70.5	Confident	65.2	Low	114 Å²	114	74.2 Å²	74.2	61%	0.61	43%	0.425	S	S	*	.	S	Bend	trans	-80.6	-26.3	-179.6	-68.5	-41.6	0	0	0	112.7	R67 D99	R67-D101 IonicContact CZ-OD1 3.6Å; R67-D101 IonicContact NH1-OD1 2.92Å; R67-D101 PolarHBondContact NH1-OD1 2.97Å; R67-D101 IonicContact NH2-OD1 3.8Å; R67-D101 PolarHBondContact NH2-OD1 3.48Å; D99-D101 PolarHBondContact O-N 3.35Å; D99-D101 WeakPolarHBondContact OD1-CB 3.43Å; D99-D101 PolarHBondContact OD1-N 3.5Å
102	E	77.5	Confident	64.8	Low	158 Å²	158	81 Å²	81	74%	0.738	45%	0.451	S	S	*	.	S	Bend	trans	-96.1	4.7	179.6	-61.9	-169	158.6	0	0	113.9	D99	D99-E102 HydrophobicContact CB-CB 4.45Å; D99-E102 HydrophobicContact CB-CG 4.49Å
103	L	80.2	Confident	64.6	Low	9 Å²	9	84.3 Å²	84.3	5%	0.047	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-62.7	131.2	-178.5	-70.7	175.9	0	0	0	111.6	S65 I82 L97	S65-L103 PolarHBondContact OG-O 3.05Å; I82-L103 HydrophobicContact CG1-CD1 4.39Å; I82-L103 HydrophobicContact CG2-CD1 4.01Å; L97-L103 HydrophobicContact CB-CD2 3.64Å; L97-L103 HydrophobicContact CD1-CD2 3.72Å; L97-L103 HydrophobicContact CG-CD2 4.26Å
104	P	84.3	Confident	64.5	Low	66 Å²	66	82.8 Å²	82.8	43%	0.429	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-61.5	142.1	175	26.8	-34.4	0	0	0	110.5	N63 Y64 S65	N63-P104 WeakPolarHBondContact O-CD 3.32Å; N63-P104 WeakPolarHBondContact O-CG 3.39Å; Y64-P104 CarbonylContact C-O 3.56Å; Y64-P104 VanDerWaalsContact CA-O 3.29Å; Y64-P104 WeakPolarHBondContact CA-O 3.42Å; Y64-P104 HydrophobicContact CD1-CB 4.47Å; Y64-P104 HydrophobicContact CD1-CG 3.94Å; Y64-P104 HydrophobicContact CE1-CG 4.16Å; S65-P104 PolarHBondContact N-O 3.17Å; S65-P104 PolarHBondContact OG-O 3.36Å
105	E	84.4	Confident	64.4	Low	39 Å²	39	79.8 Å²	79.8	18%	0.182	43%	0.429	C	S	.	.	B	Isolated β-bridge	trans	-69.9	135.4	177.7	-172.5	72.6	-158.6	0	0	110.2	S65 C66 R67 K68 R69 D107	S65-E105 WeakPolarHBondContact O-CA 2.79Å; S65-E105 WeakPolarHBondContact OG-CA 3.49Å; S65-E105 PolarHBondContact OG-N 3.45Å; S65-E105 PolarHBondContact OG-OE2 3.35Å; C66-E105 VanDerWaalsContact CA-OE1 3.23Å; C66-E105 WeakPolarHBondContact CA-OE1 3.29Å; R67-E105 PolarHBondContact N-OE1 2.82Å; R67-E105 PolarHBondContact N-OE2 2.62Å; K68-E105 HydrophobicContact CB-CG 4.11Å; K68-E105 WeakPolarHBondContact CB-OE2 3.5Å; K68-E105 VanDerWaalsContact N-CD 3.32Å; K68-E105 PolarHBondContact N-OE1 3.44Å; K68-E105 PolarHBondContact N-OE2 2.86Å; R69-E105 WeakPolarHBondContact CB-OE1 3.23Å; R69-E105 HydrophobicContact CG-CG 3.93Å; R69-E105 PolarHBondContact N-OE1 3.2Å; E105-D107 PolarHBondContact O-N 3.42Å
106	Y	82.6	Confident	64.2	Low	28 Å²	28	77.5 Å²	77.5	11%	0.11	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-63.9	117	177.9	-175.3	-99.5	0	0	0	112	Y64 S65 R69 R71 C72 G73 G108 P109	Y64-Y106 HydrophobicContact CD1-CD2 4.44Å; Y64-Y106 HydrophobicContact CD2-CD2 4.12Å; Y64-Y106 HydrophobicContact CG-CD2 4.03Å; S65-Y106 PolarHBondContact O-N 3Å; R69-Y106 WeakPolarHBondContact CD-O 3.1Å; R71-Y106 HydrophobicContact CG-CD1 4.25Å; C72-Y106 VanDerWaalsContact C-CE1 3.41Å; G73-Y106 WeakPolarHBondContact CA-OH 3.34Å; G73-Y106 VanDerWaalsContact N-CZ 3.26Å; Y106-G108 WeakPolarHBondContact OH-CA 3.47Å; Y106-P109 PolarHBondContact OH-O 2.76Å
107	D	81.7	Confident	63.9	Low	108 Å²	108	82.2 Å²	82.2	58%	0.578	44%	0.444	S	S	*	.			trans	-114.5	16.5	177.9	-157.7	-1.5	0	0	0	113.4	R69 R71 E105	R69-D107 IonicContact CZ-OD1 3.68Å; R69-D107 IonicContact CZ-OD2 3.38Å; R69-D107 IonicContact NH1-OD1 3.96Å; R69-D107 PolarHBondContact NH1-OD1 3.19Å; R69-D107 IonicContact NH1-OD2 2.78Å; R69-D107 IonicContact NH2-OD1 3.21Å; R69-D107 PolarHBondContact NH2-OD1 3.41Å; R69-D107 IonicContact NH2-OD2 2.62Å; R69-D107 PolarHBondContact NH2-OD2 2.92Å; R71-D107 IonicContact NH2-OD1 2.6Å; E105-D107 PolarHBondContact O-N 3.42Å
108	G	77.3	Confident	63.5	Low	20 Å²	20	80.4 Å²	80.4	21%	0.206	43%	0.433	C	S	.	.	S	Bend	trans	-77.7	176.5	177	0	0	0	0	0	113.3	Y106	Y106-G108 WeakPolarHBondContact OH-CA 3.47Å
109	P	70.5	Confident	62.9	Low	101 Å²	101	79.1 Å²	79.1	66%	0.656	42%	0.417	S	S	*	.			trans	-59.4	142.2	175.9	25.6	-32.9	0	0	0	110.4	Y106 A111	Y106-P109 PolarHBondContact OH-O 2.76Å; P109-A111 PolarHBondContact O-N 3.2Å
110	D	59.4	Low	62.1	Low	102 Å²	102	81.1 Å²	81.1	55%	0.545	42%	0.424	S	S	.	.			trans	-59.1	105.6	168.8	-69.6	-47.5	0	0	0	107.4	R71 F112	R71-D110 WeakPolarHBondContact CD-OD1 3.03Å; R71-D110 IonicContact CZ-OD1 3.13Å; R71-D110 IonicContact NE-OD1 3Å; R71-D110 IonicContact NH1-OD1 2.92Å; R71-D110 PolarHBondContact NH1-OD1 3.36Å; R71-D110 IonicContact NH1-OD2 3.94Å; R71-D110 PolarHBondContact NH1-OD2 3.09Å; D110-F112 VanDerWaalsContact C-N 3.33Å; D110-F112 PolarHBondContact O-N 2.89Å
111	A	55.7	Low	61.2	Low	19 Å²	19	83.5 Å²	83.5	16%	0.157	44%	0.436	C	S	.	.			trans	-75.3	100.1	171.9	0	0	0	0	0	107.3	I74 P109 Y113	I74-A111 HydrophobicContact CB-CB 3.78Å; I74-A111 HydrophobicContact CG1-CB 3.31Å; I74-A111 HydrophobicContact CG2-CB 4.48Å; P109-A111 PolarHBondContact O-N 3.2Å; A111-Y113 PolarHBondContact O-N 2.97Å; A111-Y113 VanDerWaalsContact O-N 3.09Å
112	F	43.8	Very low	60.3	Low	190 Å²	190	82.5 Å²	82.5	83%	0.833	43%	0.431	S	S	*	.			trans	12.2	91.2	167.9	-70.5	-86.5	0	0	0	111.1	D110 T114	D110-F112 VanDerWaalsContact C-N 3.33Å; D110-F112 PolarHBondContact O-N 2.89Å; F112-T114 VanDerWaalsContact O-CA 3.24Å; F112-T114 WeakPolarHBondContact O-CA 3.44Å; F112-T114 PolarHBondContact O-N 2.88Å
113	Y	42.8	Very low	59	Low	192 Å²	192	81.9 Å²	81.9	75%	0.753	43%	0.432	S	S	*	.			trans	-25.4	101.1	160	-130.1	-90.1	0	0	0	105.3	A111 S115 D119	A111-Y113 PolarHBondContact O-N 2.97Å; A111-Y113 VanDerWaalsContact O-N 3.09Å; Y113-S115 PolarHBondContact O-N 3.38Å; Y113-D119 WeakPolarHBondContact CE1-OD2 3.4Å
114	T	46.6	Very low	57.1	Low	49 Å²	49	89.1 Å²	89.1	30%	0.301	46%	0.463	S	S	.	.	S	Bend	trans	-63.4	98.8	-166.8	45.7	0	0	0	0	104	R77 F112	R77-T114 PolarHBondContact NH1-OG1 2.75Å; R77-T114 PolarHBondContact NH2-OG1 3.3Å; F112-T114 VanDerWaalsContact O-CA 3.24Å; F112-T114 WeakPolarHBondContact O-CA 3.44Å; F112-T114 PolarHBondContact O-N 2.88Å
115	S	43.1	Very low	55.1	Low	46 Å²	46	96.4 Å²	96.4	32%	0.322	50%	0.498	S	S	.	.			trans	37.6	120.3	-174	47.1	0	0	0	0	115.4	Y113 E117 E118	Y113-S115 PolarHBondContact O-N 3.38Å; S115-E117 WeakPolarHBondContact CB-OE2 3.45Å; S115-E117 PolarHBondContact O-N 2.89Å; S115-E117 PolarHBondContact OG-OE2 3.49Å; S115-E118 PolarHBondContact O-N 3.35Å
116	A	46	Very low	53.6	Low	55 Å²	55	99.3 Å²	99.3	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-48	-10.9	155.7	0	0	0	0	0	113.1	Q120	A116-Q120 WeakPolarHBondContact O-CB 3.48Å; A116-Q120 WeakPolarHBondContact O-CG 3.29Å; A116-Q120 PolarHBondContact O-N 2.66Å
117	E	46.5	Very low	52.1	Low	139 Å²	139	103 Å²	103	65%	0.65	54%	0.535	S	S	*	.	H	α-helix	trans	-61.6	-33.3	166.7	-51.8	172.5	116	0	0	114	S115 D121	S115-E117 WeakPolarHBondContact CB-OE2 3.45Å; S115-E117 PolarHBondContact O-N 2.89Å; S115-E117 PolarHBondContact OG-OE2 3.49Å; E117-D121 PolarHBondContact O-N 3.46Å; E117-D121 VanDerWaalsContact O-N 3.15Å
118	E	46.4	Very low	50.4	Low	55 Å²	55	102.7 Å²	102.7	26%	0.257	53%	0.533	S	S	.	.	H	α-helix	trans	-72.6	-43	174.2	-75	-167.3	169.9	0	0	111.4	R53 R77 S115 Q120 D121	R53-E118 PolarHBondContact N-OE1 2.79Å; R77-E118 IonicContact CZ-OE2 3.57Å; R77-E118 IonicContact NH2-OE2 2.89Å; R77-E118 PolarHBondContact NH2-OE2 2.86Å; S115-E118 PolarHBondContact O-N 3.35Å; E118-Q120 VanDerWaalsContact C-N 3.32Å; E118-Q120 PolarHBondContact O-N 2.84Å; E118-D121 PolarHBondContact O-N 2.92Å
119	D	48	Very low	48.8	Very low	86 Å²	86	107.6 Å²	107.6	46%	0.46	55%	0.552	S	S	.	*	H	α-helix	trans	-69.1	-29.6	174.5	-66	-36.4	0	0	0	112.7	Y113 D122 L123	Y113-D119 WeakPolarHBondContact CE1-OD2 3.4Å; D119-D122 PolarHBondContact O-N 2.92Å; D119-L123 PolarHBondContact O-N 3Å; D119-L123 VanDerWaalsContact O-N 3.11Å
120	Q	48.9	Very low	47.5	Very low	116 Å²	116	108 Å²	108	54%	0.542	55%	0.545	S	S	.	.	H	α-helix	trans	-74.5	-27.7	176.5	-79.9	177.5	24.1	0	0	113.1	A116 E118 D122 L123 K124	A116-Q120 WeakPolarHBondContact O-CB 3.48Å; A116-Q120 WeakPolarHBondContact O-CG 3.29Å; A116-Q120 PolarHBondContact O-N 2.66Å; E118-Q120 VanDerWaalsContact C-N 3.32Å; E118-Q120 PolarHBondContact O-N 2.84Å; Q120-D122 PolarHBondContact O-N 2.87Å; Q120-L123 PolarHBondContact O-N 2.77Å; Q120-K124 PolarHBondContact O-N 2.6Å
121	D	49.9	Very low	46.7	Very low	61 Å²	61	108.4 Å²	108.4	33%	0.326	55%	0.545	S	S	.	.	H	α-helix	trans	-67.7	-26.2	171.8	-93	-1.6	0	0	0	110.9	K54 E117 E118	K54-D121 VanDerWaalsContact CE-OD2 3.31Å; K54-D121 WeakPolarHBondContact CE-OD2 3.37Å; K54-D121 IonicContact NZ-OD2 2.71Å; K54-D121 PolarHBondContact NZ-OD2 3.35Å; E117-D121 PolarHBondContact O-N 3.46Å; E117-D121 VanDerWaalsContact O-N 3.15Å; E118-D121 PolarHBondContact O-N 2.92Å
122	D	50.3	Low	46	Very low	94 Å²	94	114.8 Å²	114.8	50%	0.503	57%	0.573	S	S	.	*	H	α-helix	trans	-79.2	-29.9	171	-74.1	-25.6	0	0	0	113.3	R34 D119 Q120 K124	R34-D122 WeakPolarHBondContact CG-OD1 3.07Å; D119-D122 PolarHBondContact O-N 2.92Å; Q120-D122 PolarHBondContact O-N 2.87Å; D122-K124 VanDerWaalsContact C-N 3.34Å
123	L	49.9	Very low	46.2	Very low	145 Å²	145	109 Å²	109	76%	0.759	55%	0.553	S	S	*	*	H	α-helix	trans	-80.9	-8.9	179.3	-155.8	71.9	0	0	0	114	D119 Q120 N125	D119-L123 PolarHBondContact O-N 3Å; D119-L123 VanDerWaalsContact O-N 3.11Å; Q120-L123 PolarHBondContact O-N 2.77Å; L123-N125 PolarHBondContact O-N 3.2Å
124	K	40.7	Very low	46.5	Very low	161 Å²	161	102.1 Å²	102.1	70%	0.7	54%	0.537	S	S	*	.			trans	-90.5	73.5	171	-74.2	-173.7	-179	171.8	0	111.2	Q120 D122	Q120-K124 PolarHBondContact O-N 2.6Å; D122-K124 VanDerWaalsContact C-N 3.34Å
125	N	41.9	Very low	46.5	Very low	218 Å²	218	106.9 Å²	106.9	100%	1.166	56%	0.558	S	S	*	*			trans	-138.5	0	152.8	-162	96.6	0	0	0	109.8	L123	L123-N125 PolarHBondContact O-N 3.2Å

Retrieved 125 of 125 residues in 132.8 ms (Link to these results)

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