A0A077YZX2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YZX2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 122 aa.

						>A0A077YZX2_TRITR|A0A077YZX2
MQALYSPEAQCQMYKRFYPETKIERIFVDRKYIPWGQRYKGYKPPRYTAPCDNDEDSCDPPFPGGLVFNAVYNGVDRSSYVVRKYKVKRGFPRNPLGRTGIAGRGSLQRWGPNHLVMVVIRK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.1	Very low	50.9	Low	245 Å²	245	146.7 Å²	146.7	100%	1.207	80%	0.803	S	S	*	*				0	99.3	0	-89	-174.7	-80.2	0	0	108.5
2	Q	42.1	Very low	51.9	Low	191 Å²	191	146.3 Å²	146.3	89%	0.893	79%	0.791	S	S	*	*			trans	-92.4	108.2	165.6	-73.9	-179	1.5	0	0	106.6	L4	Q2-L4 PolarHBondContact O-N 3.15Å; Q2-L4 VanDerWaalsContact O-N 3.15Å
3	A	49.5	Very low	53.8	Low	93 Å²	93	146.1 Å²	146.1	77%	0.769	79%	0.785	S	S	*	*			trans	-60.5	116	170.4	0	0	0	0	0	107.4	Y5	A3-Y5 PolarHBondContact O-N 2.84Å
4	L	55.4	Low	55.9	Low	170 Å²	170	142.3 Å²	142.3	89%	0.89	76%	0.755	S	S	*	*			trans	-65.3	89.6	170.7	-67.3	168.2	0	0	0	107.2	Q2 S6	Q2-L4 PolarHBondContact O-N 3.15Å; Q2-L4 VanDerWaalsContact O-N 3.15Å; L4-S6 VanDerWaalsContact C-N 3.34Å; L4-S6 PolarHBondContact O-N 2.96Å
5	Y	47.4	Very low	58.1	Low	223 Å²	223	141.9 Å²	141.9	88%	0.875	74%	0.744	S	S	*	*			trans	-65	103.5	165.7	-137.8	-95	0	0	0	106.1	A3 P7	A3-Y5 PolarHBondContact O-N 2.84Å; Y5-P7 WeakPolarHBondContact O-CD 3.48Å
6	S	58.6	Low	60.2	Low	86 Å²	86	141.1 Å²	141.1	60%	0.601	73%	0.728	S	S	*	*			trans	-56.1	120.1	172.2	171.3	0	0	0	0	107.6	L4 E8	L4-S6 VanDerWaalsContact C-N 3.34Å; L4-S6 PolarHBondContact O-N 2.96Å; S6-E8 PolarHBondContact O-N 2.91Å
7	P	48.5	Very low	62.4	Low	115 Å²	115	138.4 Å²	138.4	75%	0.747	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	107.4	-177.7	21.5	-23.1	0	0	0	107.7	Y5	Y5-P7 WeakPolarHBondContact O-CD 3.48Å
8	E	49.2	Very low	64.2	Low	153 Å²	153	132.2 Å²	132.2	72%	0.715	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	65	62.4	156.7	-54.4	167.3	-166.9	0	0	114.4	S6 Q10	S6-E8 PolarHBondContact O-N 2.91Å; E8-Q10 HydrophobicContact CB-CG 4.48Å; E8-Q10 PolarHBondContact O-N 2.77Å
9	A	51.8	Low	65.8	Low	86 Å²	86	129.1 Å²	129.1	71%	0.711	67%	0.666	S	S	*	*			trans	-63.4	75.4	141.6	0	0	0	0	0	107.9	C11	A9-C11 PolarHBondContact O-N 2.78Å
10	Q	53.5	Low	67.2	Low	132 Å²	132	133 Å²	133	62%	0.617	68%	0.681	S	S	*	*			trans	-58.8	95.2	161.8	-78.2	-170.3	-5.5	0	0	105.7	E8 Q12	E8-Q10 HydrophobicContact CB-CG 4.48Å; E8-Q10 PolarHBondContact O-N 2.77Å; Q10-Q12 PolarHBondContact O-N 2.76Å
11	C	57.5	Low	68.6	Low	120 Å²	120	128 Å²	128	81%	0.811	66%	0.656	S	S	*	*			trans	-66.5	87.1	172.3	-168.4	0	0	0	0	106.2	A9 M13	A9-C11 PolarHBondContact O-N 2.78Å; C11-M13 VanDerWaalsContact C-N 3.27Å; C11-M13 PolarHBondContact O-N 3.26Å
12	Q	63.4	Low	71	Confident	141 Å²	141	125.7 Å²	125.7	66%	0.659	64%	0.64	S	S	*	*			trans	-69.1	96.7	165.8	-76.3	-172.1	-2.4	0	0	106.2	Q10 Y14	Q10-Q12 PolarHBondContact O-N 2.76Å; Q12-Y14 PolarHBondContact O-N 3.03Å; Q12-Y14 VanDerWaalsContact O-N 3.07Å
13	M	76.6	Confident	73.6	Confident	144 Å²	144	118.8 Å²	118.8	71%	0.709	61%	0.608	S	S	*	*			trans	-59.3	115.1	176.4	-172.7	176.3	74	0	0	108.7	C11 K15	C11-M13 VanDerWaalsContact C-N 3.27Å; C11-M13 PolarHBondContact O-N 3.26Å; M13-K15 HydrophobicContact CE-CG 4.32Å; M13-K15 PolarHBondContact O-N 2.8Å; M13-K15 VanDerWaalsContact O-N 3.14Å
14	Y	83.4	Confident	75.9	Confident	93 Å²	93	118.4 Å²	118.4	37%	0.365	59%	0.591	S	S	.	*			trans	-66.9	113.4	172.5	164.8	-109.9	0	0	0	109	Q12 R16 R25 F27	Q12-Y14 PolarHBondContact O-N 3.03Å; Q12-Y14 VanDerWaalsContact O-N 3.07Å; Y14-R16 HydrophobicContact CE1-CB 3.85Å; Y14-R16 HydrophobicContact CE1-CG 4.27Å; Y14-R16 PolarHBondContact O-N 3.27Å; Y14-R25 HydrophobicContact CE2-CB 4.39Å; Y14-R25 PolarHBondContact OH-O 3.31Å; Y14-F27 HydrophobicContact CD1-CD2 4.03Å; Y14-F27 HydrophobicContact CD2-CB 4.45Å; Y14-F27 AromaticContact CD2-CD2 3.78Å; Y14-F27 HydrophobicContact CD2-CD2 3.78Å; Y14-F27 HydrophobicContact CE1-CB 4.35Å; Y14-F27 HydrophobicContact CE1-CD2 4.44Å; Y14-F27 HydrophobicContact CE2-CB 4.05Å; Y14-F27 HydrophobicContact CE2-CD2 4.24Å; Y14-F27 AromaticContact CG-CD2 3.66Å; Y14-F27 HydrophobicContact CG-CD2 3.66Å; Y14-F27 HydrophobicContact CG-CE2 4.33Å
15	K	88	Confident	77.8	Confident	137 Å²	137	113 Å²	113	60%	0.596	56%	0.559	S	S	*	*			trans	-84.6	106.8	171.6	-63.8	-172.9	179.2	-174.1	0	108.5	M13 R25	M13-K15 HydrophobicContact CE-CG 4.32Å; M13-K15 PolarHBondContact O-N 2.8Å; M13-K15 VanDerWaalsContact O-N 3.14Å; K15-R25 WeakPolarHBondContact O-CD 3.27Å
16	R	92.9	Very high	80.1	Confident	128 Å²	128	104.9 Å²	104.9	48%	0.483	53%	0.53	S	S	.	.			trans	-59.6	-50.1	-177.5	-177.3	177.5	179	-178.6	-5.5	112.5	Y14 E24 R25	Y14-R16 HydrophobicContact CE1-CB 3.85Å; Y14-R16 HydrophobicContact CE1-CG 4.27Å; Y14-R16 PolarHBondContact O-N 3.27Å; R16-E24 HydrophobicContact CG-CG 4.31Å; R16-E24 IonicContact CZ-OE1 2.78Å; R16-E24 IonicContact CZ-OE2 2.87Å; R16-E24 VanDerWaalsContact CZ-OE2 3.27Å; R16-E24 IonicContact NE-OE1 3.96Å; R16-E24 PolarHBondContact NE-OE1 3.36Å; R16-E24 IonicContact NE-OE2 3.4Å; R16-E24 PolarHBondContact NE-OE2 3.3Å; R16-E24 IonicContact NH2-OE1 3.39Å; R16-E24 PolarHBondContact NH2-OE1 2.74Å; R16-E24 IonicContact NH2-OE2 2.82Å; R16-E24 PolarHBondContact NH2-OE2 2.75Å; R16-E24 CarbonylContact O-C 3.57Å; R16-E24 WeakPolarHBondContact O-CA 3.47Å; R16-R25 PolarHBondContact O-N 3.31Å
17	F	96.6	Very high	81.8	Confident	95 Å²	95	106.1 Å²	106.1	42%	0.417	53%	0.525	S	S	.	.	B	Isolated β-bridge	trans	-91.6	143.9	-178.2	-59.5	-73	0	0	0	111.3	I23 E24	F17-I23 WeakPolarHBondContact CA-O 3.25Å; F17-E24 HydrophobicContact CD1-CG 3.7Å; F17-E24 HydrophobicContact CE1-CG 3.35Å; F17-E24 HydrophobicContact CZ-CG 4.27Å
18	Y	95.9	Very high	84	Confident	27 Å²	27	101.5 Å²	101.5	11%	0.106	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-66.1	138.7	163.5	-167.9	-92.3	0	0	0	108.8	E20 T21 I23 Y47 I101 G105 S106	Y18-E20 PolarHBondContact O-N 3.08Å; Y18-T21 WeakPolarHBondContact CB-OG1 3.44Å; Y18-T21 HydrophobicContact CD1-CG2 4.17Å; Y18-T21 PolarHBondContact O-N 2.95Å; Y18-T21 VanDerWaalsContact O-N 3.11Å; Y18-T21 PolarHBondContact O-OG1 2.95Å; Y18-I23 PolarHBondContact N-O 3.35Å; Y18-Y47 AromaticContact CD1-CD1 3.56Å; Y18-Y47 HydrophobicContact CD1-CD1 3.56Å; Y18-Y47 AromaticContact CD1-CE1 3.6Å; Y18-Y47 HydrophobicContact CD1-CE1 3.6Å; Y18-Y47 AromaticContact CE1-CD1 3.68Å; Y18-Y47 HydrophobicContact CE1-CD1 3.68Å; Y18-Y47 AromaticContact CE1-CE1 3.6Å; Y18-Y47 HydrophobicContact CE1-CE1 3.6Å; Y18-Y47 HydrophobicContact CG-CD1 4.21Å; Y18-I101 HydrophobicContact CD2-CD1 3.38Å; Y18-I101 HydrophobicContact CD2-CG2 4.08Å; Y18-I101 HydrophobicContact CE2-CD1 4.15Å; Y18-I101 HydrophobicContact CE2-CG2 4.23Å; Y18-I101 HydrophobicContact CG-CD1 3.64Å; Y18-G105 VanDerWaalsContact OH-CA 3.29Å; Y18-G105 WeakPolarHBondContact OH-CA 3.35Å; Y18-S106 PolarHBondContact OH-N 3.47Å
19	P	94.1	Very high	86.1	Confident	74 Å²	74	97.4 Å²	97.4	48%	0.481	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	135.7	-173.4	-30.1	35.5	0	0	0	112.8	T21	P19-T21 WeakPolarHBondContact O-CG2 3.49Å; P19-T21 PolarHBondContact O-N 2.85Å
20	E	94.1	Very high	88.1	Confident	206 Å²	206	102.5 Å²	102.5	96%	0.963	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	21.5	175.6	-57.6	175	166.8	0	0	114.8	Y18	Y18-E20 PolarHBondContact O-N 3.08Å
21	T	95.9	Very high	90.1	Very high	28 Å²	28	102.5 Å²	102.5	17%	0.172	48%	0.476	C	S	.	.	S	Bend	trans	-131.4	166.8	176	73.1	0	0	0	0	111.5	Y18 P19 I23 Y47	Y18-T21 WeakPolarHBondContact CB-OG1 3.44Å; Y18-T21 HydrophobicContact CD1-CG2 4.17Å; Y18-T21 PolarHBondContact O-N 2.95Å; Y18-T21 VanDerWaalsContact O-N 3.11Å; Y18-T21 PolarHBondContact O-OG1 2.95Å; P19-T21 WeakPolarHBondContact O-CG2 3.49Å; P19-T21 PolarHBondContact O-N 2.85Å; T21-I23 VanDerWaalsContact C-N 3.29Å; T21-I23 PolarHBondContact OG1-N 3.07Å; T21-I23 VanDerWaalsContact OG1-N 3.15Å; T21-Y47 HydrophobicContact CG2-CD1 4.39Å; T21-Y47 HydrophobicContact CG2-CE1 3.68Å; T21-Y47 HydrophobicContact CG2-CE2 4.21Å
22	K	96.5	Very high	92	Very high	197 Å²	197	99.6 Å²	99.6	86%	0.857	45%	0.448	S	S	*	.	S	Bend	trans	-91.7	11.5	166.3	-60.5	-179.5	-177.9	177.3	0	112.4	E24	K22-E24 PolarHBondContact O-N 2.79Å
23	I	97	Very high	93.6	Very high	46 Å²	46	94.8 Å²	94.8	24%	0.236	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-83.4	117.1	-175.2	-61.6	172.8	0	0	0	109.1	F17 Y18 T21 P45 Y47 I101	F17-I23 WeakPolarHBondContact CA-O 3.25Å; Y18-I23 PolarHBondContact N-O 3.35Å; T21-I23 VanDerWaalsContact C-N 3.29Å; T21-I23 PolarHBondContact OG1-N 3.07Å; T21-I23 VanDerWaalsContact OG1-N 3.15Å; I23-P45 HydrophobicContact CG2-CB 4.09Å; I23-P45 HydrophobicContact CG2-CG 4.13Å; I23-Y47 HydrophobicContact CD1-CD1 4.27Å; I23-Y47 HydrophobicContact CD1-CD2 3.13Å; I23-Y47 HydrophobicContact CD1-CE2 3.76Å; I23-Y47 HydrophobicContact CD1-CG 3.43Å; I23-Y47 VanDerWaalsContact CD1-CG 3.43Å; I23-I101 HydrophobicContact CG2-CD1 4.16Å
24	E	96.8	Very high	94.6	Very high	85 Å²	85	91.3 Å²	91.3	40%	0.397	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-82.7	125.5	-178.9	-66	-167.9	-161.1	0	0	111.9	R16 F17 K22 P45	R16-E24 HydrophobicContact CG-CG 4.31Å; R16-E24 IonicContact CZ-OE1 2.78Å; R16-E24 IonicContact CZ-OE2 2.87Å; R16-E24 VanDerWaalsContact CZ-OE2 3.27Å; R16-E24 IonicContact NE-OE1 3.96Å; R16-E24 PolarHBondContact NE-OE1 3.36Å; R16-E24 IonicContact NE-OE2 3.4Å; R16-E24 PolarHBondContact NE-OE2 3.3Å; R16-E24 IonicContact NH2-OE1 3.39Å; R16-E24 PolarHBondContact NH2-OE1 2.74Å; R16-E24 IonicContact NH2-OE2 2.82Å; R16-E24 PolarHBondContact NH2-OE2 2.75Å; R16-E24 CarbonylContact O-C 3.57Å; R16-E24 WeakPolarHBondContact O-CA 3.47Å; F17-E24 HydrophobicContact CD1-CG 3.7Å; F17-E24 HydrophobicContact CE1-CG 3.35Å; F17-E24 HydrophobicContact CZ-CG 4.27Å; K22-E24 PolarHBondContact O-N 2.79Å; E24-P45 WeakPolarHBondContact O-CG 3.42Å
25	R	96.9	Very high	95.2	Very high	57 Å²	57	90.4 Å²	90.4	22%	0.215	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-76.1	146.4	173.5	-56.1	173.1	67.3	141.7	-12.1	108.7	Y14 K15 R16 F27 T99 G100 I101	Y14-R25 HydrophobicContact CE2-CB 4.39Å; Y14-R25 PolarHBondContact OH-O 3.31Å; K15-R25 WeakPolarHBondContact O-CD 3.27Å; R16-R25 PolarHBondContact O-N 3.31Å; R25-F27 PolarHBondContact O-N 3.43Å; R25-T99 PolarHBondContact NE-O 2.84Å; R25-T99 PolarHBondContact NH2-O 3Å; R25-G100 CarbonylContact C-O 3.4Å; R25-G100 WeakPolarHBondContact CA-O 3.24Å; R25-I101 HydrophobicContact CG-CB 4.27Å
26	I	95.5	Very high	95.6	Very high	53 Å²	53	87.8 Å²	87.8	27%	0.272	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-69.2	132.7	168.3	-61.5	-173.9	0	0	0	109.2	V28 K43 P44 G100	I26-V28 PolarHBondContact O-N 3.1Å; I26-K43 VanDerWaalsContact CD1-O 3.31Å; I26-K43 WeakPolarHBondContact CD1-O 3.33Å; I26-P44 VanDerWaalsContact CD1-CA 3.5Å; I26-P44 HydrophobicContact CD1-CB 4.37Å; I26-G100 PolarHBondContact N-O 3.38Å; I26-G100 WeakPolarHBondContact O-CA 3.36Å
27	F	94.8	Very high	95.8	Very high	112 Å²	112	86.1 Å²	86.1	49%	0.491	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-64.5	124.3	167.3	177	-103	0	0	0	110	Y14 R25 D29	Y14-F27 HydrophobicContact CD1-CD2 4.03Å; Y14-F27 HydrophobicContact CD2-CB 4.45Å; Y14-F27 AromaticContact CD2-CD2 3.78Å; Y14-F27 HydrophobicContact CD2-CD2 3.78Å; Y14-F27 HydrophobicContact CE1-CB 4.35Å; Y14-F27 HydrophobicContact CE1-CD2 4.44Å; Y14-F27 HydrophobicContact CE2-CB 4.05Å; Y14-F27 HydrophobicContact CE2-CD2 4.24Å; Y14-F27 AromaticContact CG-CD2 3.66Å; Y14-F27 HydrophobicContact CG-CD2 3.66Å; Y14-F27 HydrophobicContact CG-CE2 4.33Å; R25-F27 PolarHBondContact O-N 3.43Å; F27-D29 VanDerWaalsContact CE1-OD1 3.27Å; F27-D29 WeakPolarHBondContact CE1-OD1 3.31Å
28	V	94.5	Very high	95.8	Very high	18 Å²	18	90.2 Å²	90.2	11%	0.109	43%	0.433	C	S	.	.			trans	-114.3	110.6	-179.9	-173.8	0	0	0	0	108.4	I26 I33 Y39 Y42 R98	I26-V28 PolarHBondContact O-N 3.1Å; V28-I33 HydrophobicContact CB-CG1 4.42Å; V28-I33 HydrophobicContact CG1-CG1 3.89Å; V28-Y39 HydrophobicContact CG1-CE1 4.31Å; V28-Y42 HydrophobicContact CG2-CE2 3.84Å; V28-R98 HydrophobicContact CG1-CB 4.1Å; V28-R98 HydrophobicContact CG2-CB 4.39Å
29	D	93.5	Very high	95.8	Very high	66 Å²	66	92 Å²	92	35%	0.353	44%	0.44	S	S	.	.			trans	-52.5	144.7	170.9	-71.4	-45.9	0	0	0	110.5	F27 K31 Y32 I33	F27-D29 VanDerWaalsContact CE1-OD1 3.27Å; F27-D29 WeakPolarHBondContact CE1-OD1 3.31Å; D29-K31 HydrophobicContact CB-CG 4.02Å; D29-K31 PolarHBondContact O-N 3.12Å; D29-Y32 HydrophobicContact CB-CD2 3.9Å; D29-Y32 WeakPolarHBondContact O-CA 3.15Å; D29-Y32 PolarHBondContact O-N 3.46Å; D29-I33 PolarHBondContact O-N 3.14Å
30	R	93.5	Very high	95.9	Very high	194 Å²	194	96.1 Å²	96.1	73%	0.732	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-48.7	-40.3	179.6	-69.4	179.4	68.8	-173.7	5	112.9	Y32 I33	R30-Y32 PolarHBondContact O-N 2.55Å; R30-I33 PolarHBondContact O-N 3.46Å
31	K	95.7	Very high	95.9	Very high	131 Å²	131	89.4 Å²	89.4	57%	0.57	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-61.4	-28.9	178	71.6	-167.5	-179.9	-166.6	0	113.8	D29 Q37	D29-K31 HydrophobicContact CB-CG 4.02Å; D29-K31 PolarHBondContact O-N 3.12Å; K31-Q37 WeakPolarHBondContact O-CB 3.21Å; K31-Q37 VanDerWaalsContact O-CG 3.25Å; K31-Q37 WeakPolarHBondContact O-CG 3.47Å
32	Y	97.1	Very high	95.9	Very high	60 Å²	60	90.1 Å²	90.1	24%	0.235	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-97.1	-4.1	-178.4	-65.3	-55.9	0	0	0	113.9	D29 R30 Q37 R38 Y39 R98	D29-Y32 HydrophobicContact CB-CD2 3.9Å; D29-Y32 WeakPolarHBondContact O-CA 3.15Å; D29-Y32 PolarHBondContact O-N 3.46Å; R30-Y32 PolarHBondContact O-N 2.55Å; Y32-Q37 HydrophobicContact CD1-CG 3.56Å; Y32-Q37 HydrophobicContact CE1-CG 4.01Å; Y32-R38 WeakPolarHBondContact CE1-O 3.26Å; Y32-Y39 HydrophobicContact CD1-CD1 4.26Å; Y32-Y39 HydrophobicContact CD1-CD2 4.42Å; Y32-Y39 AromaticContact CD1-CG 3.95Å; Y32-Y39 HydrophobicContact CD1-CG 3.95Å; Y32-Y39 HydrophobicContact CD2-CD1 4.3Å; Y32-Y39 HydrophobicContact CD2-CE1 4.22Å; Y32-Y39 HydrophobicContact CD2-CE2 4.49Å; Y32-Y39 HydrophobicContact CD2-CG 4.44Å; Y32-Y39 AromaticContact CG-CD1 3.8Å; Y32-Y39 HydrophobicContact CG-CD1 3.8Å; Y32-Y39 HydrophobicContact CG-CD2 4.42Å; Y32-Y39 HydrophobicContact CG-CE1 4.15Å; Y32-Y39 AromaticContact CG-CG 3.93Å; Y32-Y39 HydrophobicContact CG-CG 3.93Å; Y32-R98 WeakPolarHBondContact O-CD 3.42Å; Y32-R98 PolarHBondContact O-NH1 3.5Å
33	I	96.2	Very high	95.9	Very high	40 Å²	40	89.1 Å²	89.1	21%	0.205	43%	0.432	C	S	.	.	S	Bend	trans	-59.7	-50.4	175.6	-64.1	175.2	0	0	0	111.1	V28 D29 R30 W35 L96 G97 R98	V28-I33 HydrophobicContact CB-CG1 4.42Å; V28-I33 HydrophobicContact CG1-CG1 3.89Å; D29-I33 PolarHBondContact O-N 3.14Å; R30-I33 PolarHBondContact O-N 3.46Å; I33-W35 PolarHBondContact O-N 3.01Å; I33-L96 WeakPolarHBondContact CG2-O 3.47Å; I33-G97 CarbonylContact O-C 3.5Å; I33-G97 VanDerWaalsContact O-CA 3.24Å; I33-G97 WeakPolarHBondContact O-CA 3.3Å; I33-R98 PolarHBondContact O-N 3.05Å
34	P	97.4	Very high	95.9	Very high	71 Å²	71	88 Å²	88	46%	0.461	43%	0.428	S	S	.	.	S	Bend	trans	-62.7	132.2	-178	-22.5	34.6	0	0	0	112.4	G36 Q37 R98	P34-G36 PolarHBondContact O-N 2.81Å; P34-G36 VanDerWaalsContact O-N 3.08Å; P34-Q37 WeakPolarHBondContact O-CB 3.3Å; P34-Q37 PolarHBondContact O-N 2.82Å; P34-R98 PolarHBondContact O-NH1 3.36Å
35	W	96.5	Very high	95.9	Very high	74 Å²	74	86.2 Å²	86.2	28%	0.28	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25	179.3	-71.9	112.4	0	0	0	114.2	I33 Q37 Y42 R93 N94 R98	I33-W35 PolarHBondContact O-N 3.01Å; W35-Q37 VanDerWaalsContact C-N 3.29Å; W35-Y42 HydrophobicContact CH2-CE1 4.46Å; W35-Y42 HydrophobicContact CZ3-CE1 4.39Å; W35-R93 HydrophobicContact CZ2-CB 4.31Å; W35-R93 HydrophobicContact CZ2-CG 4.35Å; W35-N94 PolarHBondContact NE1-O 3.01Å; W35-R98 HydrophobicContact CD2-CG 4.24Å; W35-R98 HydrophobicContact CE3-CG 3.8Å; W35-R98 HydrophobicContact CH2-CG 3.81Å; W35-R98 HydrophobicContact CZ2-CG 4.23Å; W35-R98 HydrophobicContact CZ3-CG 3.58Å
36	G	95.7	Very high	95.9	Very high	81 Å²	81	91.7 Å²	91.7	84%	0.835	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-27.1	175.4	0	0	0	0	0	113.2	P34 R38	P34-G36 PolarHBondContact O-N 2.81Å; P34-G36 VanDerWaalsContact O-N 3.08Å; G36-R38 PolarHBondContact O-N 2.89Å
37	Q	97	Very high	96	Very high	93 Å²	93	91.6 Å²	91.6	44%	0.435	44%	0.441	S	S	.	.	S	Bend	trans	-72.5	130.9	176.1	-173	63.6	26	0	0	110.5	K31 Y32 P34 W35 Y39 R98	K31-Q37 WeakPolarHBondContact O-CB 3.21Å; K31-Q37 VanDerWaalsContact O-CG 3.25Å; K31-Q37 WeakPolarHBondContact O-CG 3.47Å; Y32-Q37 HydrophobicContact CD1-CG 3.56Å; Y32-Q37 HydrophobicContact CE1-CG 4.01Å; P34-Q37 WeakPolarHBondContact O-CB 3.3Å; P34-Q37 PolarHBondContact O-N 2.82Å; W35-Q37 VanDerWaalsContact C-N 3.29Å; Q37-Y39 PolarHBondContact O-N 2.96Å; Q37-R98 PolarHBondContact O-NH1 2.77Å; Q37-R98 PolarHBondContact O-NH2 3.41Å
38	R	96.9	Very high	96	Very high	182 Å²	182	88.2 Å²	88.2	69%	0.687	43%	0.429	S	S	*	.			trans	-70.2	118.2	172.4	-169.8	174.6	71.9	172.8	-1.7	109.6	Y32 G36 K40	Y32-R38 WeakPolarHBondContact CE1-O 3.26Å; G36-R38 PolarHBondContact O-N 2.89Å; R38-K40 HydrophobicContact CG-CG 4.48Å
39	Y	96.4	Very high	96	Very high	64 Å²	64	87.8 Å²	87.8	25%	0.251	43%	0.428	S	S	.	.			trans	-122.8	96.2	173	-168.7	174	0	0	0	108.3	V28 Y32 Q37 Y42	V28-Y39 HydrophobicContact CG1-CE1 4.31Å; Y32-Y39 HydrophobicContact CD1-CD1 4.26Å; Y32-Y39 HydrophobicContact CD1-CD2 4.42Å; Y32-Y39 AromaticContact CD1-CG 3.95Å; Y32-Y39 HydrophobicContact CD1-CG 3.95Å; Y32-Y39 HydrophobicContact CD2-CD1 4.3Å; Y32-Y39 HydrophobicContact CD2-CE1 4.22Å; Y32-Y39 HydrophobicContact CD2-CE2 4.49Å; Y32-Y39 HydrophobicContact CD2-CG 4.44Å; Y32-Y39 AromaticContact CG-CD1 3.8Å; Y32-Y39 HydrophobicContact CG-CD1 3.8Å; Y32-Y39 HydrophobicContact CG-CD2 4.42Å; Y32-Y39 HydrophobicContact CG-CE1 4.15Å; Y32-Y39 AromaticContact CG-CG 3.93Å; Y32-Y39 HydrophobicContact CG-CG 3.93Å; Q37-Y39 PolarHBondContact O-N 2.96Å; Y39-Y42 AromaticContact CD1-CD2 3.59Å; Y39-Y42 HydrophobicContact CD1-CD2 3.59Å; Y39-Y42 HydrophobicContact CD1-CE2 4.45Å; Y39-Y42 AromaticContact CD1-CG 3.93Å; Y39-Y42 HydrophobicContact CD1-CG 3.93Å; Y39-Y42 AromaticContact CE1-CD2 3.55Å; Y39-Y42 HydrophobicContact CE1-CD2 3.55Å; Y39-Y42 HydrophobicContact CE1-CE2 4.28Å; Y39-Y42 HydrophobicContact CE1-CG 4.3Å; Y39-Y42 HydrophobicContact CG-CD2 4.41Å; Y39-Y42 HydrophobicContact CG-CG 4.38Å
40	K	95.5	Very high	95.8	Very high	160 Å²	160	89.4 Å²	89.4	70%	0.696	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	135.8	178	-68.6	-173.5	177.8	-176.8	0	109.3	R38 Y42	R38-K40 HydrophobicContact CG-CG 4.48Å; K40-Y42 VanDerWaalsContact C-N 3.29Å; K40-Y42 PolarHBondContact O-N 3.21Å
41	G	93.7	Very high	95.4	Very high	66 Å²	66	83.1 Å²	83.1	68%	0.68	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	2.6	178.1	0	0	0	0	0	115.8	K43	G41-K43 PolarHBondContact O-N 2.77Å
42	Y	96.4	Very high	94.5	Very high	42 Å²	42	83.5 Å²	83.5	17%	0.165	44%	0.435	C	S	.	.			trans	-61.6	101.5	176.2	-176.9	-108.7	0	0	0	111.4	V28 W35 Y39 K40 P44 R98 G100	V28-Y42 HydrophobicContact CG2-CE2 3.84Å; W35-Y42 HydrophobicContact CH2-CE1 4.46Å; W35-Y42 HydrophobicContact CZ3-CE1 4.39Å; Y39-Y42 AromaticContact CD1-CD2 3.59Å; Y39-Y42 HydrophobicContact CD1-CD2 3.59Å; Y39-Y42 HydrophobicContact CD1-CE2 4.45Å; Y39-Y42 AromaticContact CD1-CG 3.93Å; Y39-Y42 HydrophobicContact CD1-CG 3.93Å; Y39-Y42 AromaticContact CE1-CD2 3.55Å; Y39-Y42 HydrophobicContact CE1-CD2 3.55Å; Y39-Y42 HydrophobicContact CE1-CE2 4.28Å; Y39-Y42 HydrophobicContact CE1-CG 4.3Å; Y39-Y42 HydrophobicContact CG-CD2 4.41Å; Y39-Y42 HydrophobicContact CG-CG 4.38Å; K40-Y42 VanDerWaalsContact C-N 3.29Å; K40-Y42 PolarHBondContact O-N 3.21Å; Y42-P44 HydrophobicContact CD1-CG 4.28Å; Y42-P44 HydrophobicContact CE1-CB 4.45Å; Y42-P44 HydrophobicContact CE1-CG 3.61Å; Y42-P44 HydrophobicContact CE2-CB 4.38Å; Y42-P44 HydrophobicContact CE2-CG 4.34Å; Y42-R98 HydrophobicContact CD1-CG 4.32Å; Y42-R98 HydrophobicContact CE1-CB 4.24Å; Y42-R98 HydrophobicContact CE1-CG 3.74Å; Y42-R98 HydrophobicContact CE2-CB 4.31Å; Y42-R98 HydrophobicContact CE2-CG 4.44Å; Y42-G100 PolarHBondContact OH-N 2.87Å; Y42-G100 VanDerWaalsContact OH-N 3.12Å
43	K	96.5	Very high	92.9	Very high	177 Å²	177	87 Å²	87	77%	0.77	46%	0.458	S	S	*	.			trans	-130.5	69.3	-178.5	-70	-180	-179.8	-179.7	0	109.8	I26 G41	I26-K43 VanDerWaalsContact CD1-O 3.31Å; I26-K43 WeakPolarHBondContact CD1-O 3.33Å; G41-K43 PolarHBondContact O-N 2.77Å
44	P	97.4	Very high	91.1	Very high	22 Å²	22	93 Å²	93	14%	0.143	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-61.1	147.4	179	29.4	-37.7	0	0	0	111.1	I26 Y42 G100 A102	I26-P44 VanDerWaalsContact CD1-CA 3.5Å; I26-P44 HydrophobicContact CD1-CB 4.37Å; Y42-P44 HydrophobicContact CD1-CG 4.28Å; Y42-P44 HydrophobicContact CE1-CB 4.45Å; Y42-P44 HydrophobicContact CE1-CG 3.61Å; Y42-P44 HydrophobicContact CE2-CB 4.38Å; Y42-P44 HydrophobicContact CE2-CG 4.34Å; P44-G100 VanDerWaalsContact CB-C 3.48Å; P44-G100 VanDerWaalsContact CB-O 3.28Å; P44-G100 WeakPolarHBondContact CB-O 3.24Å; P44-A102 HydrophobicContact CG-CB 3.87Å
45	P	97.3	Very high	89.3	Confident	47 Å²	47	98.8 Å²	98.8	31%	0.305	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-59.7	148.1	172.7	17.6	-21.4	0	0	0	110.2	I23 E24 I101 A102	I23-P45 HydrophobicContact CG2-CB 4.09Å; I23-P45 HydrophobicContact CG2-CG 4.13Å; E24-P45 WeakPolarHBondContact O-CG 3.42Å; P45-I101 WeakPolarHBondContact O-CG1 3.31Å; P45-A102 PolarHBondContact O-N 3.32Å
46	R	96.8	Very high	87.7	Confident	173 Å²	173	100 Å²	100	65%	0.653	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.2	178.4	-71.4	-179.1	174.4	-134.2	1.4	109.2	A102	R46-A102 CarbonylContact C-O 3.58Å; R46-A102 VanDerWaalsContact CA-O 3.3Å; R46-A102 WeakPolarHBondContact CA-O 3.47Å; R46-A102 HydrophobicContact CG-CB 3.92Å
47	Y	96.7	Very high	87	Confident	50 Å²	50	100.7 Å²	100.7	20%	0.196	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	128.2	173.5	179.3	-125.7	0	0	0	110.4	Y18 T21 I23 A49 A102 G103 R104 G105	Y18-Y47 AromaticContact CD1-CD1 3.56Å; Y18-Y47 HydrophobicContact CD1-CD1 3.56Å; Y18-Y47 AromaticContact CD1-CE1 3.6Å; Y18-Y47 HydrophobicContact CD1-CE1 3.6Å; Y18-Y47 AromaticContact CE1-CD1 3.68Å; Y18-Y47 HydrophobicContact CE1-CD1 3.68Å; Y18-Y47 AromaticContact CE1-CE1 3.6Å; Y18-Y47 HydrophobicContact CE1-CE1 3.6Å; Y18-Y47 HydrophobicContact CG-CD1 4.21Å; T21-Y47 HydrophobicContact CG2-CD1 4.39Å; T21-Y47 HydrophobicContact CG2-CE1 3.68Å; T21-Y47 HydrophobicContact CG2-CE2 4.21Å; I23-Y47 HydrophobicContact CD1-CD1 4.27Å; I23-Y47 HydrophobicContact CD1-CD2 3.13Å; I23-Y47 HydrophobicContact CD1-CE2 3.76Å; I23-Y47 HydrophobicContact CD1-CG 3.43Å; I23-Y47 VanDerWaalsContact CD1-CG 3.43Å; Y47-A49 HydrophobicContact CE1-CB 4.45Å; Y47-A102 PolarHBondContact N-O 3.3Å; Y47-G103 CarbonylContact O-C 3.59Å; Y47-G103 VanDerWaalsContact O-CA 3.3Å; Y47-G103 WeakPolarHBondContact O-CA 3.41Å; Y47-R104 PolarHBondContact O-N 3.17Å; Y47-G105 WeakPolarHBondContact O-CA 3.49Å; Y47-G105 PolarHBondContact O-N 2.93Å
48	T	96	Very high	86.7	Confident	41 Å²	41	97.2 Å²	97.2	25%	0.252	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	114.7	168.6	-65.8	0	0	0	0	105.5	P61 R104	T48-P61 HydrophobicContact CG2-CB 4.42Å; T48-R104 HydrophobicContact CG2-CB 3.83Å; T48-R104 PolarHBondContact OG1-N 3.19Å; T48-R104 VanDerWaalsContact OG1-N 3.13Å
49	A	93.2	Very high	86.5	Confident	10 Å²	10	88.8 Å²	88.8	8%	0.083	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-64.5	152.9	174.4	0	0	0	0	0	110.2	Y47 R104 G105	Y47-A49 HydrophobicContact CE1-CB 4.45Å; A49-R104 PolarHBondContact O-NH2 3.25Å; A49-G105 PolarHBondContact N-O 2.98Å
50	P	90.3	Very high	86.3	Confident	99 Å²	99	88.6 Å²	88.6	64%	0.643	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-59.1	164	164.6	28.8	-34.4	0	0	0	110.8
51	C	85.4	Confident	86.2	Confident	62 Å²	62	85 Å²	85	42%	0.419	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-77.9	126.4	169	-59.7	0	0	0	0	108.5	N53 C58	C51-N53 PolarHBondContact O-N 2.84Å; C51-C58 WeakPolarHBondContact CA-SG 3.47Å; C51-C58 HydrophobicContact CB-CB 3.66Å; C51-C58 WeakPolarHBondContact CB-SG 3.35Å; C51-C58 WeakPolarHBondContact SG-CB 3.43Å; C51-C58 CovalentContact SG-SG 2.01Å; C51-C58 PolarHBondContact SG-SG 3.11Å
52	D	75.1	Confident	86.2	Confident	139 Å²	139	88.6 Å²	88.6	74%	0.743	47%	0.467	S	S	*	.			trans	-87.9	94.9	173.4	-62.2	-34.4	0	0	0	108.2
53	N	63.4	Low	86.1	Confident	134 Å²	134	86.9 Å²	86.9	72%	0.717	46%	0.461	S	S	*	.			trans	72.7	152.8	172.6	-51.2	-34.8	0	0	0	117.8	C51 E55	C51-N53 PolarHBondContact O-N 2.84Å; N53-E55 PolarHBondContact O-N 2.84Å
54	D	60.2	Low	85.9	Confident	165 Å²	165	81.5 Å²	81.5	88%	0.882	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.5	-162.8	-64	-47.4	0	0	0	115.9	D56	D54-D56 PolarHBondContact O-N 3.39Å
55	E	58	Low	85.6	Confident	193 Å²	193	84.2 Å²	84.2	90%	0.902	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-36.3	-170.7	-72.6	-176.2	163.3	0	0	112.9	N53	N53-E55 PolarHBondContact O-N 2.84Å
56	D	63.6	Low	85.5	Confident	99 Å²	99	83.9 Å²	83.9	53%	0.529	48%	0.482	S	S	.	.	S	Bend	trans	-114.8	103.6	173.7	-80.8	-35.3	0	0	0	109.9	D54 C58	D54-D56 PolarHBondContact O-N 3.39Å; D56-C58 PolarHBondContact O-N 3.43Å
57	S	81.2	Confident	85.5	Confident	96 Å²	96	78.3 Å²	78.3	67%	0.671	47%	0.467	S	S	*	.			trans	-52.1	103.1	178.2	177.2	0	0	0	0	109.9	R109	S57-R109 PolarHBondContact O-NH1 2.77Å; S57-R109 PolarHBondContact O-NH2 2.01Å
58	C	90.5	Very high	85.5	Confident	21 Å²	21	77.2 Å²	77.2	14%	0.142	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-88.9	147.4	-175.6	128.4	0	0	0	0	109.6	C51 D56 R104	C51-C58 WeakPolarHBondContact CA-SG 3.47Å; C51-C58 HydrophobicContact CB-CB 3.66Å; C51-C58 WeakPolarHBondContact CB-SG 3.35Å; C51-C58 WeakPolarHBondContact SG-CB 3.43Å; C51-C58 CovalentContact SG-SG 2.01Å; C51-C58 PolarHBondContact SG-SG 3.11Å; D56-C58 PolarHBondContact O-N 3.43Å; C58-R104 VanDerWaalsContact SG-CZ 3.5Å; C58-R104 PolarHBondContact SG-NH1 3Å; C58-R104 PolarHBondContact SG-NH2 2.85Å
59	D	93.8	Very high	85.6	Confident	5 Å²	5	77.1 Å²	77.1	3%	0.027	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-63.8	143.2	-173.9	-78.9	8.7	0	0	0	111.3	L66 R77 R104 Q108 R109 W110	D59-L66 HydrophobicContact CB-CD1 4.33Å; D59-L66 WeakPolarHBondContact OD2-CD1 2.9Å; D59-R77 VanDerWaalsContact CG-NH2 3.35Å; D59-R77 IonicContact OD1-CZ 3.96Å; D59-R77 IonicContact OD1-NH2 2.8Å; D59-R77 PolarHBondContact OD1-NH2 2.88Å; D59-R77 IonicContact OD2-CZ 3.81Å; D59-R77 IonicContact OD2-NE 3.52Å; D59-R77 IonicContact OD2-NH2 3.19Å; D59-R77 PolarHBondContact OD2-NH2 2.82Å; D59-R104 PolarHBondContact O-NH1 2.8Å; D59-Q108 WeakPolarHBondContact CB-O 3.29Å; D59-Q108 PolarHBondContact N-O 3.05Å; D59-R109 VanDerWaalsContact OD1-CD 3.27Å; D59-R109 WeakPolarHBondContact OD1-CD 3.47Å; D59-R109 IonicContact OD1-CZ 3.27Å; D59-R109 IonicContact OD1-NH1 3Å; D59-R109 PolarHBondContact OD1-NH1 2.87Å; D59-R109 WeakPolarHBondContact OD2-CA 3.45Å; D59-W110 PolarHBondContact OD2-N 2.8Å
60	P	91.9	Very high	85.7	Confident	60 Å²	60	78.5 Å²	78.5	39%	0.39	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-62.7	160.1	-177.6	23.7	-33.6	0	0	0	112.9	F62 W110	P60-F62 WeakPolarHBondContact CG-O 3.33Å; P60-F62 PolarHBondContact O-N 2.78Å; P60-W110 PolarHBondContact O-NE1 2.82Å
61	P	92	Very high	86	Confident	85 Å²	85	78.7 Å²	78.7	55%	0.552	47%	0.472	S	S	*	.	S	Bend	trans	-56.6	-17.5	178.2	-27.4	35.4	0	0	0	115.3	T48 W110	T48-P61 HydrophobicContact CG2-CB 4.42Å; P61-W110 WeakPolarHBondContact O-CZ2 3.35Å
62	F	93.8	Very high	86.3	Confident	141 Å²	141	82 Å²	82	62%	0.618	48%	0.477	S	S	*	.	S	Bend	trans	-128.2	136.5	172.9	-64.2	-80.4	0	0	0	110.5	P60 G64 F91	P60-F62 WeakPolarHBondContact CG-O 3.33Å; P60-F62 PolarHBondContact O-N 2.78Å; F62-G64 PolarHBondContact O-N 3.39Å; F62-F91 HydrophobicContact CD1-CZ 4.48Å
63	P	94.5	Very high	87.1	Confident	6 Å²	6	82.5 Å²	82.5	4%	0.039	48%	0.479	C	S	.	.			trans	-77.1	17.4	-173.9	31.9	-36.6	0	0	0	114.8	G65 L66 F68 G90 F91 W110	P63-G65 PolarHBondContact O-N 2.77Å; P63-L66 HydrophobicContact CB-CD1 4.15Å; P63-L66 WeakPolarHBondContact O-CB 3.28Å; P63-L66 PolarHBondContact O-N 2.87Å; P63-F68 HydrophobicContact CB-CE2 4.19Å; P63-F68 HydrophobicContact CB-CZ 3.75Å; P63-G90 VanDerWaalsContact CG-O 3.24Å; P63-G90 WeakPolarHBondContact CG-O 3.14Å; P63-F91 HydrophobicContact CG-CD1 3.55Å; P63-F91 HydrophobicContact CG-CE1 3.64Å; P63-F91 HydrophobicContact CG-CG 4.08Å; P63-F91 HydrophobicContact CG-CZ 4.23Å; P63-W110 HydrophobicContact CB-CB 4.48Å; P63-W110 HydrophobicContact CB-CD2 4.04Å; P63-W110 HydrophobicContact CB-CG 3.92Å; P63-W110 HydrophobicContact CG-CD2 4.37Å
64	G	92.7	Very high	88.4	Confident	63 Å²	63	80 Å²	80	65%	0.649	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	133.9	-178.7	0	0	0	0	0	111.2	F62 L66	F62-G64 PolarHBondContact O-N 3.39Å; G64-L66 PolarHBondContact O-N 3.24Å
65	G	91.3	Very high	89.9	Confident	79 Å²	79	73.4 Å²	73.4	81%	0.814	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-6.8	179.9	0	0	0	0	0	115.6	P63	P63-G65 PolarHBondContact O-N 2.77Å
66	L	95.1	Very high	91.7	Very high	40 Å²	40	66.3 Å²	66.3	21%	0.209	42%	0.419	C	S	.	.			trans	-77.1	139.6	176.5	-58.3	-177.1	0	0	0	111.6	D59 P63 G64 F68 W110	D59-L66 HydrophobicContact CB-CD1 4.33Å; D59-L66 WeakPolarHBondContact OD2-CD1 2.9Å; P63-L66 HydrophobicContact CB-CD1 4.15Å; P63-L66 WeakPolarHBondContact O-CB 3.28Å; P63-L66 PolarHBondContact O-N 2.87Å; G64-L66 PolarHBondContact O-N 3.24Å; L66-F68 HydrophobicContact CB-CE1 4.43Å; L66-F68 HydrophobicContact CB-CE2 4.07Å; L66-F68 HydrophobicContact CB-CZ 3.87Å; L66-F68 HydrophobicContact CD1-CZ 4.21Å; L66-W110 HydrophobicContact CD1-CB 4.24Å; L66-W110 HydrophobicContact CD1-CG 4.32Å
67	V	96.2	Very high	93.2	Very high	56 Å²	56	62 Å²	62	34%	0.339	40%	0.396	S	S	.	.			trans	-97.3	121.3	174	-177	0	0	0	0	109.3	A70 Y72 R77	V67-A70 HydrophobicContact CG1-CB 4.21Å; V67-Y72 HydrophobicContact CB-CD1 3.93Å; V67-Y72 HydrophobicContact CB-CD2 4.34Å; V67-Y72 HydrophobicContact CB-CG 3.77Å; V67-Y72 HydrophobicContact CG1-CG 4.45Å; V67-Y72 HydrophobicContact CG2-CD1 3.68Å; V67-Y72 HydrophobicContact CG2-CD2 4.03Å; V67-Y72 HydrophobicContact CG2-CE1 3.87Å; V67-Y72 HydrophobicContact CG2-CE2 4.22Å; V67-Y72 HydrophobicContact CG2-CG 3.75Å; V67-R77 WeakPolarHBondContact O-CD 3.37Å
68	F	97.4	Very high	93.9	Very high	27 Å²	27	59 Å²	59	12%	0.118	37%	0.374	C	S	.	.			trans	-104.6	157.3	-177.2	-66.1	-69.8	0	0	0	112	P63 L66 A70 Y85 V87 G90 P92 W110	P63-F68 HydrophobicContact CB-CE2 4.19Å; P63-F68 HydrophobicContact CB-CZ 3.75Å; L66-F68 HydrophobicContact CB-CE1 4.43Å; L66-F68 HydrophobicContact CB-CE2 4.07Å; L66-F68 HydrophobicContact CB-CZ 3.87Å; L66-F68 HydrophobicContact CD1-CZ 4.21Å; F68-A70 PolarHBondContact O-N 2.99Å; F68-Y85 HydrophobicContact CB-CE2 3.95Å; F68-Y85 WeakPolarHBondContact CB-OH 3.42Å; F68-Y85 HydrophobicContact CD1-CE2 4.11Å; F68-Y85 WeakPolarHBondContact CD1-OH 3.15Å; F68-Y85 HydrophobicContact CG-CE2 4.27Å; F68-V87 HydrophobicContact CB-CG2 3.62Å; F68-V87 HydrophobicContact CD2-CG1 3.96Å; F68-V87 HydrophobicContact CD2-CG2 3.88Å; F68-V87 HydrophobicContact CE2-CG1 4.38Å; F68-V87 HydrophobicContact CG-CG2 3.9Å; F68-G90 VanDerWaalsContact CE2-O 3.31Å; F68-G90 WeakPolarHBondContact CE2-O 3.48Å; F68-P92 HydrophobicContact CD1-CB 4.05Å; F68-P92 HydrophobicContact CD1-CG 4.2Å; F68-P92 HydrophobicContact CE1-CB 4Å; F68-P92 HydrophobicContact CE1-CG 3.63Å; F68-P92 HydrophobicContact CZ-CB 4.45Å; F68-P92 HydrophobicContact CZ-CG 3.92Å; F68-W110 HydrophobicContact CE1-CB 3.82Å; F68-W110 HydrophobicContact CZ-CB 4.05Å
69	N	97.4	Very high	94.1	Very high	40 Å²	40	59 Å²	59	21%	0.214	38%	0.375	C	S	.	.	S	Bend	trans	60.2	28.3	-176.8	-54.4	-77.9	0	0	0	114	R77 K84 Y85	N69-R77 PolarHBondContact N-O 2.61Å; N69-K84 HydrophobicContact CB-CG 4.27Å; N69-K84 VanDerWaalsContact OD1-CA 3.3Å; N69-K84 WeakPolarHBondContact OD1-CA 3.47Å; N69-Y85 PolarHBondContact N-OH 3.23Å; N69-Y85 PolarHBondContact ND2-O 3.2Å; N69-Y85 VanDerWaalsContact ND2-O 3.11Å; N69-Y85 VanDerWaalsContact OD1-CD1 3.27Å; N69-Y85 WeakPolarHBondContact OD1-CD1 3.34Å; N69-Y85 WeakPolarHBondContact OD1-CE1 3.2Å; N69-Y85 PolarHBondContact OD1-N 3.44Å; N69-Y85 PolarHBondContact OD1-O 2.87Å
70	A	96.6	Very high	94	Very high	38 Å²	38	67.4 Å²	67.4	31%	0.314	41%	0.408	S	S	.	.	S	Bend	trans	-153.3	164.6	177.4	0	0	0	0	0	110.6	V67 F68 R77	V67-A70 HydrophobicContact CG1-CB 4.21Å; F68-A70 PolarHBondContact O-N 2.99Å; A70-R77 PolarHBondContact O-N 2.69Å
71	V	95.3	Very high	93.9	Very high	103 Å²	103	69.9 Å²	69.9	62%	0.624	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	121.4	162.9	-175.1	0	0	0	0	107.7	D76	V71-D76 HydrophobicContact CG2-CB 3.96Å
72	Y	93.2	Very high	94	Very high	132 Å²	132	68 Å²	68	52%	0.518	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	133.2	-179.5	-174.5	-101.6	0	0	0	111.1	V67 G74 V75	V67-Y72 HydrophobicContact CB-CD1 3.93Å; V67-Y72 HydrophobicContact CB-CD2 4.34Å; V67-Y72 HydrophobicContact CB-CG 3.77Å; V67-Y72 HydrophobicContact CG1-CG 4.45Å; V67-Y72 HydrophobicContact CG2-CD1 3.68Å; V67-Y72 HydrophobicContact CG2-CD2 4.03Å; V67-Y72 HydrophobicContact CG2-CE1 3.87Å; V67-Y72 HydrophobicContact CG2-CE2 4.22Å; V67-Y72 HydrophobicContact CG2-CG 3.75Å; Y72-G74 VanDerWaalsContact C-N 3.29Å; Y72-G74 PolarHBondContact O-N 3.28Å; Y72-V75 PolarHBondContact N-O 3.19Å; Y72-V75 PolarHBondContact O-N 3.02Å
73	N	91	Very high	94	Very high	149 Å²	149	72.4 Å²	72.4	80%	0.797	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	48	-178.7	-162.4	33.9	0	0	0	113.2	V75	N73-V75 PolarHBondContact O-N 3.35Å
74	G	90.9	Very high	94.1	Very high	81 Å²	81	79.4 Å²	79.4	84%	0.835	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	-3.5	179.7	0	0	0	0	0	116	Y72	Y72-G74 VanDerWaalsContact C-N 3.29Å; Y72-G74 PolarHBondContact O-N 3.28Å
75	V	92.5	Very high	94.3	Very high	28 Å²	28	76.9 Å²	76.9	17%	0.17	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.1	179.7	-176.5	0	0	0	0	110.4	Y72 N73 R77	Y72-V75 PolarHBondContact N-O 3.19Å; Y72-V75 PolarHBondContact O-N 3.02Å; N73-V75 PolarHBondContact O-N 3.35Å; V75-R77 HydrophobicContact CG1-CG 3.96Å; V75-R77 PolarHBondContact O-N 2.78Å
76	D	94.6	Very high	94.6	Very high	44 Å²	44	80.8 Å²	80.8	24%	0.235	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	113.2	169.5	-168.9	-4	0	0	0	110.2	V71 S78 H114	V71-D76 HydrophobicContact CG2-CB 3.96Å; D76-S78 VanDerWaalsContact CG-OG 3.29Å; D76-S78 WeakPolarHBondContact OD1-CA 3.45Å; D76-S78 WeakPolarHBondContact OD1-CB 3.21Å; D76-S78 PolarHBondContact OD1-N 3.22Å; D76-S78 PolarHBondContact OD1-OG 2.89Å; D76-S78 PolarHBondContact OD2-OG 2.76Å; D76-H114 PolarHBondContact O-CD2 3.33Å; D76-H114 VanDerWaalsContact O-CD2 3.3Å; D76-H114 PolarHBondContact O-NE2 3.39Å
77	R	95.8	Very high	94.7	Very high	9 Å²	9	81.8 Å²	81.8	3%	0.034	42%	0.423	C	S	.	.			trans	-108.9	20	172.6	-62.6	-169.8	178.9	73.7	2.3	111.8	D59 V67 N69 A70 V75 Y85	D59-R77 VanDerWaalsContact CG-NH2 3.35Å; D59-R77 IonicContact OD1-CZ 3.96Å; D59-R77 IonicContact OD1-NH2 2.8Å; D59-R77 PolarHBondContact OD1-NH2 2.88Å; D59-R77 IonicContact OD2-CZ 3.81Å; D59-R77 IonicContact OD2-NE 3.52Å; D59-R77 IonicContact OD2-NH2 3.19Å; D59-R77 PolarHBondContact OD2-NH2 2.82Å; V67-R77 WeakPolarHBondContact O-CD 3.37Å; N69-R77 PolarHBondContact N-O 2.61Å; A70-R77 PolarHBondContact O-N 2.69Å; V75-R77 HydrophobicContact CG1-CG 3.96Å; V75-R77 PolarHBondContact O-N 2.78Å; R77-Y85 WeakPolarHBondContact O-CE1 3.27Å; R77-Y85 VanDerWaalsContact O-CZ 3.31Å; R77-Y85 PolarHBondContact O-OH 3.26Å
78	S	95.7	Very high	94.6	Very high	32 Å²	32	84.1 Å²	84.1	22%	0.224	43%	0.429	C	S	.	.			trans	-74.8	157.5	168.5	75.6	0	0	0	0	110.6	D76 P112 H114	D76-S78 VanDerWaalsContact CG-OG 3.29Å; D76-S78 WeakPolarHBondContact OD1-CA 3.45Å; D76-S78 WeakPolarHBondContact OD1-CB 3.21Å; D76-S78 PolarHBondContact OD1-N 3.22Å; D76-S78 PolarHBondContact OD1-OG 2.89Å; D76-S78 PolarHBondContact OD2-OG 2.76Å; S78-P112 WeakPolarHBondContact O-CB 3.39Å; S78-P112 VanDerWaalsContact O-CG 3.23Å; S78-P112 WeakPolarHBondContact O-CG 3.43Å; S78-H114 PolarHBondContact O-CE1 3.39Å; S78-H114 VanDerWaalsContact O-CE1 3.24Å; S78-H114 PolarHBondContact O-NE2 3.41Å
79	S	94.3	Very high	94.5	Very high	22 Å²	22	93.7 Å²	93.7	15%	0.154	46%	0.464	C	S	.	.			trans	-109.4	133.1	177.9	177.8	0	0	0	0	109.8	V81 V82	S79-V81 VanDerWaalsContact C-N 3.29Å; S79-V81 PolarHBondContact OG-N 3.15Å; S79-V81 VanDerWaalsContact OG-N 3.17Å; S79-V82 CarbonylContact C-O 3.54Å; S79-V82 VanDerWaalsContact CB-O 3.26Å; S79-V82 WeakPolarHBondContact CB-O 3.4Å; S79-V82 PolarHBondContact OG-N 3.11Å
80	Y	91.3	Very high	94.4	Very high	181 Å²	181	93.6 Å²	93.6	71%	0.71	47%	0.473	S	S	*	.	S	Bend	trans	-82	-9.6	169.3	-60.7	-56.9	0	0	0	112.9	H114	Y80-H114 AromaticContact CD2-CE1 3.45Å; Y80-H114 VanDerWaalsContact CD2-CE1 3.45Å; Y80-H114 WeakPolarHBondContact CD2-CE1 2.98Å; Y80-H114 AromaticContact CD2-ND1 3.4Å; Y80-H114 WeakPolarHBondContact CD2-ND1 3.23Å; Y80-H114 AromaticContact CE2-CE1 3.37Å; Y80-H114 WeakPolarHBondContact CE2-CE1 3.03Å; Y80-H114 AromaticContact CE2-ND1 3.21Å; Y80-H114 WeakPolarHBondContact CE2-ND1 3.41Å
81	V	90.8	Very high	94.4	Very high	111 Å²	111	94.7 Å²	94.7	67%	0.673	47%	0.471	S	S	*	.	S	Bend	trans	-90.7	-39.8	179.3	-178.4	0	0	0	0	111	S79	S79-V81 VanDerWaalsContact C-N 3.29Å; S79-V81 PolarHBondContact OG-N 3.15Å; S79-V81 VanDerWaalsContact OG-N 3.17Å
82	V	94.6	Very high	94.5	Very high	47 Å²	47	90.7 Å²	90.7	29%	0.285	45%	0.447	S	S	.	.	S	Bend	trans	-134.2	148.2	176.6	-62.2	0	0	0	0	110.2	S79 K84 P95	S79-V82 CarbonylContact C-O 3.54Å; S79-V82 VanDerWaalsContact CB-O 3.26Å; S79-V82 WeakPolarHBondContact CB-O 3.4Å; S79-V82 PolarHBondContact OG-N 3.11Å; V82-K84 PolarHBondContact O-N 3.39Å; V82-P95 HydrophobicContact CB-CB 4.33Å; V82-P95 HydrophobicContact CG1-CB 3.73Å; V82-P95 HydrophobicContact CG1-CG 4.43Å; V82-P95 HydrophobicContact CG2-CB 3.61Å; V82-P95 HydrophobicContact CG2-CG 3.99Å
83	R	92.6	Very high	94.6	Very high	233 Å²	233	87.3 Å²	87.3	88%	0.879	43%	0.433	S	S	*	.	S	Bend	trans	-58.7	-47.3	-179.8	-168.4	173.6	73.1	136	-1.9	113.6
84	K	96.3	Very high	94.9	Very high	152 Å²	152	83.1 Å²	83.1	66%	0.661	41%	0.411	S	S	*	.			trans	-142.9	131.4	173.8	-69	-170.2	176.8	-177.5	0	109.9	N69 V82	N69-K84 HydrophobicContact CB-CG 4.27Å; N69-K84 VanDerWaalsContact OD1-CA 3.3Å; N69-K84 WeakPolarHBondContact OD1-CA 3.47Å; V82-K84 PolarHBondContact O-N 3.39Å
85	Y	97.3	Very high	95.2	Very high	11 Å²	11	82.1 Å²	82.1	4%	0.043	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-94.3	152.5	170.1	55.5	-92.7	0	0	0	110.7	F68 N69 R77 V87 P92 P112	F68-Y85 HydrophobicContact CB-CE2 3.95Å; F68-Y85 WeakPolarHBondContact CB-OH 3.42Å; F68-Y85 HydrophobicContact CD1-CE2 4.11Å; F68-Y85 WeakPolarHBondContact CD1-OH 3.15Å; F68-Y85 HydrophobicContact CG-CE2 4.27Å; N69-Y85 PolarHBondContact N-OH 3.23Å; N69-Y85 PolarHBondContact ND2-O 3.2Å; N69-Y85 VanDerWaalsContact ND2-O 3.11Å; N69-Y85 VanDerWaalsContact OD1-CD1 3.27Å; N69-Y85 WeakPolarHBondContact OD1-CD1 3.34Å; N69-Y85 WeakPolarHBondContact OD1-CE1 3.2Å; N69-Y85 PolarHBondContact OD1-N 3.44Å; N69-Y85 PolarHBondContact OD1-O 2.87Å; R77-Y85 WeakPolarHBondContact O-CE1 3.27Å; R77-Y85 VanDerWaalsContact O-CZ 3.31Å; R77-Y85 PolarHBondContact O-OH 3.26Å; Y85-V87 HydrophobicContact CD2-CG2 4.4Å; Y85-V87 HydrophobicContact CE2-CG2 4.15Å; Y85-P92 HydrophobicContact CD2-CB 3.9Å; Y85-P92 HydrophobicContact CE2-CB 3.52Å; Y85-P112 HydrophobicContact CD1-CG 4.38Å; Y85-P112 HydrophobicContact CE1-CG 3.62Å
86	K	97.2	Very high	95.3	Very high	161 Å²	161	87 Å²	87	70%	0.7	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-76	129.4	-177.6	-66.3	-176.6	179.1	-179.3	0	110.1	R93	K86-R93 VanDerWaalsContact O-CB 3.3Å; K86-R93 WeakPolarHBondContact O-CB 3.46Å; K86-R93 PolarHBondContact O-N 2.85Å
87	V	96.9	Very high	95.4	Very high	60 Å²	60	85 Å²	85	36%	0.364	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.1	167.9	-175.9	0	0	0	0	107.8	F68 Y85 F91	F68-V87 HydrophobicContact CB-CG2 3.62Å; F68-V87 HydrophobicContact CD2-CG1 3.96Å; F68-V87 HydrophobicContact CD2-CG2 3.88Å; F68-V87 HydrophobicContact CE2-CG1 4.38Å; F68-V87 HydrophobicContact CG-CG2 3.9Å; Y85-V87 HydrophobicContact CD2-CG2 4.4Å; Y85-V87 HydrophobicContact CE2-CG2 4.15Å; V87-F91 CarbonylContact C-O 3.52Å; V87-F91 WeakPolarHBondContact CA-O 3.48Å
88	K	95.2	Very high	95.4	Very high	106 Å²	106	85.6 Å²	85.6	46%	0.461	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	119.1	178.9	-176.6	176.3	-177.2	174.3	0	109.7	G90 F91 R93	K88-G90 PolarHBondContact O-N 3.3Å; K88-F91 PolarHBondContact N-O 3.13Å; K88-F91 PolarHBondContact O-N 3.46Å; K88-R93 HydrophobicContact CB-CG 4.49Å; K88-R93 VanDerWaalsContact CD-CZ 3.49Å
89	R	94.1	Very high	95.4	Very high	227 Å²	227	86.5 Å²	86.5	86%	0.857	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	43.6	-179.2	-58.9	178.5	178.8	-178.6	-3.3	111.8	F91	R89-F91 VanDerWaalsContact C-N 3.26Å; R89-F91 WeakPolarHBondContact O-CD2 3.38Å; R89-F91 WeakPolarHBondContact O-CE2 3.5Å; R89-F91 PolarHBondContact O-N 2.83Å
90	G	95.3	Very high	95.5	Very high	38 Å²	38	85.4 Å²	85.4	39%	0.392	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	-10	-176.8	0	0	0	0	0	115.9	P63 F68 K88	P63-G90 VanDerWaalsContact CG-O 3.24Å; P63-G90 WeakPolarHBondContact CG-O 3.14Å; F68-G90 VanDerWaalsContact CE2-O 3.31Å; F68-G90 WeakPolarHBondContact CE2-O 3.48Å; K88-G90 PolarHBondContact O-N 3.3Å
91	F	96.7	Very high	95.8	Very high	61 Å²	61	77.9 Å²	77.9	27%	0.268	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.5	179.7	-63.5	-88.7	0	0	0	111.7	F62 P63 V87 K88 R89 W110	F62-F91 HydrophobicContact CD1-CZ 4.48Å; P63-F91 HydrophobicContact CG-CD1 3.55Å; P63-F91 HydrophobicContact CG-CE1 3.64Å; P63-F91 HydrophobicContact CG-CG 4.08Å; P63-F91 HydrophobicContact CG-CZ 4.23Å; V87-F91 CarbonylContact C-O 3.52Å; V87-F91 WeakPolarHBondContact CA-O 3.48Å; K88-F91 PolarHBondContact N-O 3.13Å; K88-F91 PolarHBondContact O-N 3.46Å; R89-F91 VanDerWaalsContact C-N 3.26Å; R89-F91 WeakPolarHBondContact O-CD2 3.38Å; R89-F91 WeakPolarHBondContact O-CE2 3.5Å; R89-F91 PolarHBondContact O-N 2.83Å; F91-W110 AromaticContact CD1-CH2 3.92Å; F91-W110 HydrophobicContact CD1-CH2 3.92Å; F91-W110 AromaticContact CD1-CZ3 3.87Å; F91-W110 HydrophobicContact CD1-CZ3 3.87Å; F91-W110 AromaticContact CE1-CH2 3.94Å; F91-W110 HydrophobicContact CE1-CH2 3.94Å; F91-W110 HydrophobicContact CE1-CZ2 4.49Å; F91-W110 HydrophobicContact CE1-CZ3 4.36Å
92	P	97.4	Very high	96.1	Very high	20 Å²	20	74 Å²	74	13%	0.13	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	135.2	172.6	31.1	-35.2	0	0	0	110	F68 Y85 W110	F68-P92 HydrophobicContact CD1-CB 4.05Å; F68-P92 HydrophobicContact CD1-CG 4.2Å; F68-P92 HydrophobicContact CE1-CB 4Å; F68-P92 HydrophobicContact CE1-CG 3.63Å; F68-P92 HydrophobicContact CZ-CB 4.45Å; F68-P92 HydrophobicContact CZ-CG 3.92Å; Y85-P92 HydrophobicContact CD2-CB 3.9Å; Y85-P92 HydrophobicContact CE2-CB 3.52Å; P92-W110 HydrophobicContact CG-CB 4.01Å; P92-W110 HydrophobicContact CG-CE3 4.28Å
93	R	96.9	Very high	96.2	Very high	61 Å²	61	73.3 Å²	73.3	23%	0.23	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-93.9	137.4	175.2	-70.6	-176.5	159	-161.5	-13.7	110.4	W35 K86 K88 P95	W35-R93 HydrophobicContact CZ2-CB 4.31Å; W35-R93 HydrophobicContact CZ2-CG 4.35Å; K86-R93 VanDerWaalsContact O-CB 3.3Å; K86-R93 WeakPolarHBondContact O-CB 3.46Å; K86-R93 PolarHBondContact O-N 2.85Å; K88-R93 HydrophobicContact CB-CG 4.49Å; K88-R93 VanDerWaalsContact CD-CZ 3.49Å; R93-P95 WeakPolarHBondContact O-CD 3.29Å
94	N	97.1	Very high	96.4	Very high	60 Å²	60	63 Å²	63	32%	0.321	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-56.2	120.1	169.5	178.3	4	0	0	0	109.7	W35 L96 G97 T99	W35-N94 PolarHBondContact NE1-O 3.01Å; N94-L96 PolarHBondContact O-N 3.42Å; N94-L96 PolarHBondContact OD1-N 3.25Å; N94-G97 WeakPolarHBondContact CB-O 3.3Å; N94-G97 PolarHBondContact ND2-O 3.45Å; N94-G97 PolarHBondContact O-N 3.05Å; N94-G97 VanDerWaalsContact O-N 3.1Å; N94-T99 WeakPolarHBondContact ND2-CG2 3.3Å
95	P	96.3	Very high	96.3	Very high	60 Å²	60	56 Å²	56	39%	0.39	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.2	179.4	24.1	-34.2	0	0	0	113.3	V82 R93 G97	V82-P95 HydrophobicContact CB-CB 4.33Å; V82-P95 HydrophobicContact CG1-CB 3.73Å; V82-P95 HydrophobicContact CG1-CG 4.43Å; V82-P95 HydrophobicContact CG2-CB 3.61Å; V82-P95 HydrophobicContact CG2-CG 3.99Å; R93-P95 WeakPolarHBondContact O-CD 3.29Å; P95-G97 VanDerWaalsContact C-N 3.29Å; P95-G97 PolarHBondContact O-N 2.88Å
96	L	94.8	Very high	96.1	Very high	130 Å²	130	58.6 Å²	58.6	68%	0.681	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-0.3	178.9	-57.3	-178.8	0	0	0	114.1	I33 N94	I33-L96 WeakPolarHBondContact CG2-O 3.47Å; N94-L96 PolarHBondContact O-N 3.42Å; N94-L96 PolarHBondContact OD1-N 3.25Å
97	G	96.3	Very high	96	Very high	2 Å²	2	54.6 Å²	54.6	2%	0.021	29%	0.294	C	S	.	.			trans	106.2	-164.6	175	0	0	0	0	0	115.2	I33 N94 P95	I33-G97 CarbonylContact O-C 3.5Å; I33-G97 VanDerWaalsContact O-CA 3.24Å; I33-G97 WeakPolarHBondContact O-CA 3.3Å; N94-G97 WeakPolarHBondContact CB-O 3.3Å; N94-G97 PolarHBondContact ND2-O 3.45Å; N94-G97 PolarHBondContact O-N 3.05Å; N94-G97 VanDerWaalsContact O-N 3.1Å; P95-G97 VanDerWaalsContact C-N 3.29Å; P95-G97 PolarHBondContact O-N 2.88Å
98	R	96.8	Very high	95.7	Very high	22 Å²	22	55.7 Å²	55.7	8%	0.083	30%	0.295	C	S	.	.			trans	-71.9	138.1	179.5	-67.4	-177.4	-172.9	80.7	-0.4	110.5	V28 Y32 I33 P34 W35 Q37 Y42	V28-R98 HydrophobicContact CG1-CB 4.1Å; V28-R98 HydrophobicContact CG2-CB 4.39Å; Y32-R98 WeakPolarHBondContact O-CD 3.42Å; Y32-R98 PolarHBondContact O-NH1 3.5Å; I33-R98 PolarHBondContact O-N 3.05Å; P34-R98 PolarHBondContact O-NH1 3.36Å; W35-R98 HydrophobicContact CD2-CG 4.24Å; W35-R98 HydrophobicContact CE3-CG 3.8Å; W35-R98 HydrophobicContact CH2-CG 3.81Å; W35-R98 HydrophobicContact CZ2-CG 4.23Å; W35-R98 HydrophobicContact CZ3-CG 3.58Å; Q37-R98 PolarHBondContact O-NH1 2.77Å; Q37-R98 PolarHBondContact O-NH2 3.41Å; Y42-R98 HydrophobicContact CD1-CG 4.32Å; Y42-R98 HydrophobicContact CE1-CB 4.24Å; Y42-R98 HydrophobicContact CE1-CG 3.74Å; Y42-R98 HydrophobicContact CE2-CB 4.31Å; Y42-R98 HydrophobicContact CE2-CG 4.44Å
99	T	95.8	Very high	95.7	Very high	51 Å²	51	52.7 Å²	52.7	31%	0.313	28%	0.281	S	S	.	.			trans	-121.7	1.2	-174.5	54.2	0	0	0	0	113.3	R25 N94 I101	R25-T99 PolarHBondContact NE-O 2.84Å; R25-T99 PolarHBondContact NH2-O 3Å; N94-T99 WeakPolarHBondContact ND2-CG2 3.3Å; T99-I101 VanDerWaalsContact C-N 3.3Å; T99-I101 PolarHBondContact O-N 3.29Å
100	G	96.8	Very high	95.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	83.3	-0.8	-176.7	0	0	0	0	0	114.8	R25 I26 Y42 P44	R25-G100 CarbonylContact C-O 3.4Å; R25-G100 WeakPolarHBondContact CA-O 3.24Å; I26-G100 PolarHBondContact N-O 3.38Å; I26-G100 WeakPolarHBondContact O-CA 3.36Å; Y42-G100 PolarHBondContact OH-N 2.87Å; Y42-G100 VanDerWaalsContact OH-N 3.12Å; P44-G100 VanDerWaalsContact CB-C 3.48Å; P44-G100 VanDerWaalsContact CB-O 3.28Å; P44-G100 WeakPolarHBondContact CB-O 3.24Å
101	I	97.3	Very high	95.8	Very high	22 Å²	22	42.5 Å²	42.5	11%	0.113	24%	0.243	C	C	.	.			trans	-135.7	154.5	177.3	-158.8	166.6	0	0	0	110.5	Y18 I23 R25 P45 T99	Y18-I101 HydrophobicContact CD2-CD1 3.38Å; Y18-I101 HydrophobicContact CD2-CG2 4.08Å; Y18-I101 HydrophobicContact CE2-CD1 4.15Å; Y18-I101 HydrophobicContact CE2-CG2 4.23Å; Y18-I101 HydrophobicContact CG-CD1 3.64Å; I23-I101 HydrophobicContact CG2-CD1 4.16Å; R25-I101 HydrophobicContact CG-CB 4.27Å; P45-I101 WeakPolarHBondContact O-CG1 3.31Å; T99-I101 VanDerWaalsContact C-N 3.3Å; T99-I101 PolarHBondContact O-N 3.29Å
102	A	96.8	Very high	95.8	Very high	30 Å²	30	40.6 Å²	40.6	25%	0.248	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	168	170.6	0	0	0	0	0	110.5	P44 P45 R46 Y47	P44-A102 HydrophobicContact CG-CB 3.87Å; P45-A102 PolarHBondContact O-N 3.32Å; R46-A102 CarbonylContact C-O 3.58Å; R46-A102 VanDerWaalsContact CA-O 3.3Å; R46-A102 WeakPolarHBondContact CA-O 3.47Å; R46-A102 HydrophobicContact CG-CB 3.92Å; Y47-A102 PolarHBondContact N-O 3.3Å
103	G	96.6	Very high	95.6	Very high	33 Å²	33	43 Å²	43	34%	0.34	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	98.8	-178.3	-174.7	0	0	0	0	0	112.1	Y47 G105	Y47-G103 CarbonylContact O-C 3.59Å; Y47-G103 VanDerWaalsContact O-CA 3.3Å; Y47-G103 WeakPolarHBondContact O-CA 3.41Å; G103-G105 VanDerWaalsContact C-N 3.34Å
104	R	95.8	Very high	95.3	Very high	16 Å²	16	43.6 Å²	43.6	6%	0.06	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-26.7	179.8	-170.9	177.7	62.3	129.2	2.2	111.9	Y47 T48 A49 C58 D59 L107 Q108 W110	Y47-R104 PolarHBondContact O-N 3.17Å; T48-R104 HydrophobicContact CG2-CB 3.83Å; T48-R104 PolarHBondContact OG1-N 3.19Å; T48-R104 VanDerWaalsContact OG1-N 3.13Å; A49-R104 PolarHBondContact O-NH2 3.25Å; C58-R104 VanDerWaalsContact SG-CZ 3.5Å; C58-R104 PolarHBondContact SG-NH1 3Å; C58-R104 PolarHBondContact SG-NH2 2.85Å; D59-R104 PolarHBondContact O-NH1 2.8Å; R104-L107 WeakPolarHBondContact CD-O 3.35Å; R104-L107 WeakPolarHBondContact CG-O 3.46Å; R104-L107 PolarHBondContact NE-O 2.99Å; R104-L107 PolarHBondContact NH1-O 3.21Å; R104-Q108 PolarHBondContact NH1-O 3.31Å; R104-W110 HydrophobicContact CB-CD2 4.02Å; R104-W110 HydrophobicContact CB-CE3 4.22Å; R104-W110 HydrophobicContact CB-CH2 4.18Å; R104-W110 HydrophobicContact CB-CZ2 3.91Å; R104-W110 HydrophobicContact CB-CZ3 4.31Å; R104-W110 HydrophobicContact CG-CD2 4.28Å; R104-W110 HydrophobicContact CG-CG 4.43Å
105	G	95.5	Very high	95	Very high	4 Å²	4	48.2 Å²	48.2	4%	0.041	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.1	-150.2	-170.4	0	0	0	0	0	112	Y18 Y47 A49 G103 L107	Y18-G105 VanDerWaalsContact OH-CA 3.29Å; Y18-G105 WeakPolarHBondContact OH-CA 3.35Å; Y47-G105 WeakPolarHBondContact O-CA 3.49Å; Y47-G105 PolarHBondContact O-N 2.93Å; A49-G105 PolarHBondContact N-O 2.98Å; G103-G105 VanDerWaalsContact C-N 3.34Å; G105-L107 VanDerWaalsContact C-N 3.32Å
106	S	93.5	Very high	94.6	Very high	66 Å²	66	51.3 Å²	51.3	46%	0.462	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-0.2	174.4	53.6	0	0	0	0	113.8	Y18	Y18-S106 PolarHBondContact OH-N 3.47Å
107	L	93.2	Very high	94.5	Very high	78 Å²	78	52.3 Å²	52.3	41%	0.408	30%	0.298	S	S	.	.	S	Bend	trans	-77.5	151.2	-179	-60.4	176.3	0	0	0	111.5	R104 G105 R109 N113	R104-L107 WeakPolarHBondContact CD-O 3.35Å; R104-L107 WeakPolarHBondContact CG-O 3.46Å; R104-L107 PolarHBondContact NE-O 2.99Å; R104-L107 PolarHBondContact NH1-O 3.21Å; G105-L107 VanDerWaalsContact C-N 3.32Å; L107-R109 VanDerWaalsContact C-N 3.32Å; L107-R109 PolarHBondContact O-N 3.31Å; L107-N113 HydrophobicContact CD1-CB 4.45Å
108	Q	92.1	Very high	94.4	Very high	82 Å²	82	57.9 Å²	57.9	38%	0.383	33%	0.331	S	S	.	.	S	Bend	trans	-67.2	-26.4	179.1	-68.4	-179.7	-6.4	0	0	114.1	D59 R104	D59-Q108 WeakPolarHBondContact CB-O 3.29Å; D59-Q108 PolarHBondContact N-O 3.05Å; R104-Q108 PolarHBondContact NH1-O 3.31Å
109	R	94.6	Very high	94.3	Very high	43 Å²	43	61.6 Å²	61.6	16%	0.162	36%	0.356	C	S	.	.	S	Bend	trans	-124.8	147.7	-169.9	-51.2	-63.4	176.1	-172.2	-7.5	112.9	S57 D59 L107 N113	S57-R109 PolarHBondContact O-NH1 2.77Å; S57-R109 PolarHBondContact O-NH2 2.01Å; D59-R109 VanDerWaalsContact OD1-CD 3.27Å; D59-R109 WeakPolarHBondContact OD1-CD 3.47Å; D59-R109 IonicContact OD1-CZ 3.27Å; D59-R109 IonicContact OD1-NH1 3Å; D59-R109 PolarHBondContact OD1-NH1 2.87Å; D59-R109 WeakPolarHBondContact OD2-CA 3.45Å; L107-R109 VanDerWaalsContact C-N 3.32Å; L107-R109 PolarHBondContact O-N 3.31Å; R109-N113 VanDerWaalsContact CB-ND2 3.29Å; R109-N113 WeakPolarHBondContact CB-ND2 3.39Å; R109-N113 WeakPolarHBondContact CG-ND2 3.4Å; R109-N113 PolarHBondContact N-ND2 2.64Å
110	W	96	Very high	94.3	Very high	14 Å²	14	66.7 Å²	66.7	5%	0.053	38%	0.38	C	S	.	.	S	Bend	trans	-73.8	127.1	163.6	-75.5	102.2	0	0	0	110.5	D59 P60 P61 P63 L66 F68 F91 P92 R104	D59-W110 PolarHBondContact OD2-N 2.8Å; P60-W110 PolarHBondContact O-NE1 2.82Å; P61-W110 WeakPolarHBondContact O-CZ2 3.35Å; P63-W110 HydrophobicContact CB-CB 4.48Å; P63-W110 HydrophobicContact CB-CD2 4.04Å; P63-W110 HydrophobicContact CB-CG 3.92Å; P63-W110 HydrophobicContact CG-CD2 4.37Å; L66-W110 HydrophobicContact CD1-CB 4.24Å; L66-W110 HydrophobicContact CD1-CG 4.32Å; F68-W110 HydrophobicContact CE1-CB 3.82Å; F68-W110 HydrophobicContact CZ-CB 4.05Å; F91-W110 AromaticContact CD1-CH2 3.92Å; F91-W110 HydrophobicContact CD1-CH2 3.92Å; F91-W110 AromaticContact CD1-CZ3 3.87Å; F91-W110 HydrophobicContact CD1-CZ3 3.87Å; F91-W110 AromaticContact CE1-CH2 3.94Å; F91-W110 HydrophobicContact CE1-CH2 3.94Å; F91-W110 HydrophobicContact CE1-CZ2 4.49Å; F91-W110 HydrophobicContact CE1-CZ3 4.36Å; P92-W110 HydrophobicContact CG-CB 4.01Å; P92-W110 HydrophobicContact CG-CE3 4.28Å; R104-W110 HydrophobicContact CB-CD2 4.02Å; R104-W110 HydrophobicContact CB-CE3 4.22Å; R104-W110 HydrophobicContact CB-CH2 4.18Å; R104-W110 HydrophobicContact CB-CZ2 3.91Å; R104-W110 HydrophobicContact CB-CZ3 4.31Å; R104-W110 HydrophobicContact CG-CD2 4.28Å; R104-W110 HydrophobicContact CG-CG 4.43Å
111	G	96.1	Very high	93.9	Very high	38 Å²	38	77.3 Å²	77.3	39%	0.392	42%	0.42	S	S	.	.	S	Bend	trans	85.5	-135	-179.6	0	0	0	0	0	111.4
112	P	95.5	Very high	93.4	Very high	21 Å²	21	89.6 Å²	89.6	14%	0.136	47%	0.473	C	S	.	.			trans	-58.8	144.4	178.6	-25.4	36.5	0	0	0	113.6	S78 Y85 H114	S78-P112 WeakPolarHBondContact O-CB 3.39Å; S78-P112 VanDerWaalsContact O-CG 3.23Å; S78-P112 WeakPolarHBondContact O-CG 3.43Å; Y85-P112 HydrophobicContact CD1-CG 4.38Å; Y85-P112 HydrophobicContact CE1-CG 3.62Å; P112-H114 WeakPolarHBondContact CB-NE2 3.27Å
113	N	94	Very high	93.2	Very high	70 Å²	70	92.6 Å²	92.6	37%	0.374	48%	0.484	S	S	.	.			trans	-132.1	98.5	174.3	-145.1	-96.7	0	0	0	106.9	L107 R109	L107-N113 HydrophobicContact CD1-CB 4.45Å; R109-N113 VanDerWaalsContact CB-ND2 3.29Å; R109-N113 WeakPolarHBondContact CB-ND2 3.39Å; R109-N113 WeakPolarHBondContact CG-ND2 3.4Å; R109-N113 PolarHBondContact N-ND2 2.64Å
114	H	91.4	Very high	93.1	Very high	74 Å²	74	95.7 Å²	95.7	34%	0.343	49%	0.491	S	S	.	.			trans	-87.3	130.8	-174	-59	-74.7	0	0	0	110.2	D76 S78 Y80 P112	D76-H114 PolarHBondContact O-CD2 3.33Å; D76-H114 VanDerWaalsContact O-CD2 3.3Å; D76-H114 PolarHBondContact O-NE2 3.39Å; S78-H114 PolarHBondContact O-CE1 3.39Å; S78-H114 VanDerWaalsContact O-CE1 3.24Å; S78-H114 PolarHBondContact O-NE2 3.41Å; Y80-H114 AromaticContact CD2-CE1 3.45Å; Y80-H114 VanDerWaalsContact CD2-CE1 3.45Å; Y80-H114 WeakPolarHBondContact CD2-CE1 2.98Å; Y80-H114 AromaticContact CD2-ND1 3.4Å; Y80-H114 WeakPolarHBondContact CD2-ND1 3.23Å; Y80-H114 AromaticContact CE2-CE1 3.37Å; Y80-H114 WeakPolarHBondContact CE2-CE1 3.03Å; Y80-H114 AromaticContact CE2-ND1 3.21Å; Y80-H114 WeakPolarHBondContact CE2-ND1 3.41Å; P112-H114 WeakPolarHBondContact CB-NE2 3.27Å
115	L	89.9	Confident	92.9	Very high	156 Å²	156	100.2 Å²	100.2	82%	0.817	52%	0.515	S	S	*	.			trans	-120.3	123.5	172	177.9	65.2	0	0	0	108.1
116	V	88.8	Confident	92.8	Very high	126 Å²	126	105.8 Å²	105.8	76%	0.764	54%	0.543	S	S	*	.			trans	-108.3	116.9	173.2	-179.4	0	0	0	0	107.4	V118	V116-V118 HydrophobicContact CG1-CG2 4.45Å
117	M	92.7	Very high	92.7	Very high	151 Å²	151	108.3 Å²	108.3	74%	0.744	55%	0.548	S	S	*	.			trans	-106.4	114.7	174.9	-178.5	177.6	-82.6	0	0	108.6	V119	M117-V119 HydrophobicContact CG-CG2 4.15Å; M117-V119 HydrophobicContact SD-CG2 4.38Å
118	V	93.6	Very high	92.7	Very high	119 Å²	119	110.3 Å²	110.3	72%	0.721	56%	0.558	S	S	*	*			trans	-89.5	119.5	173.3	-177.1	0	0	0	0	108	V116 I120	V116-V118 HydrophobicContact CG1-CG2 4.45Å; V118-I120 HydrophobicContact CG1-CG1 4.22Å
119	V	94.9	Very high	92.7	Very high	100 Å²	100	112.4 Å²	112.4	61%	0.606	57%	0.57	S	S	*	*			trans	-106.3	115.2	175.3	-178.6	0	0	0	0	108.2	M117 R121	M117-V119 HydrophobicContact CG-CG2 4.15Å; M117-V119 HydrophobicContact SD-CG2 4.38Å; V119-R121 HydrophobicContact CG1-CG 4.16Å
120	I	94.6	Very high	92.6	Very high	158 Å²	158	117.7 Å²	117.7	81%	0.81	60%	0.601	S	S	*	*			trans	-97.1	123.6	175	-54.9	175	0	0	0	107.6	V118	V118-I120 HydrophobicContact CG1-CG1 4.22Å
121	R	88.7	Confident	92.3	Very high	223 Å²	223	126.3 Å²	126.3	84%	0.842	65%	0.647	S	S	*	*			trans	-114.5	145	173.3	-61.1	-119	-158.2	150.1	6.1	108.8	V119	V119-R121 HydrophobicContact CG1-CG 4.16Å
122	K	87.5	Confident	92	Very high	280 Å²	280	134.4 Å²	134.4	100%	1.217	67%	0.67	S	S	*	*			trans	-72.1	0	176.9	-172.9	178.4	179.8	-179.5	0	111.2

Retrieved 122 of 122 residues in 66 ms (Link to these results)

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