A0A077YZK9_TRITR Loading...

Ly-6 related domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZK9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 102 aa.

						>A0A077YZK9_TRITR|A0A077YZK9
MALCERRRVEQALWSNAAPARRGSFWTPMKDDDDWHTLSGRLCFSCASENYKSHWDIFKRSINRPSNFTVLCRQPRHAPFLALDSCSGPCVTIIEDDYIFGK
					

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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	26.3	Very low	36.1	Very low	239 Å²	239	99.5 Å²	99.5	100%	1.177	47%	0.474	S	S	*	.				0	122.4	0	-73.2	155	171.3	0	0	106.9
2	A	31.3	Very low	36	Very low	56 Å²	56	93.4 Å²	93.4	46%	0.463	45%	0.453	S	S	.	.			trans	-87.4	111.5	174.9	0	0	0	0	0	107.2
3	L	31.9	Very low	35.8	Very low	111 Å²	111	91.2 Å²	91.2	58%	0.581	45%	0.445	S	S	*	.			trans	-65.4	137	177.6	-66.2	161.2	0	0	0	108.7	E5 H36	L3-E5 PolarHBondContact O-N 3.36Å; L3-H36 WeakPolarHBondContact CD2-CE1 3.48Å
4	C	35.4	Very low	35.2	Very low	60 Å²	60	93.4 Å²	93.4	41%	0.405	45%	0.446	S	S	.	.			trans	-63.3	100.1	165.5	-59.3	0	0	0	0	107.1	L42 C43	C4-L42 PolarHBondContact SG-O 3.02Å; C4-L42 VanDerWaalsContact SG-O 3.41Å; C4-C43 HydrophobicContact CB-CB 3.92Å; C4-C43 WeakPolarHBondContact CB-SG 3.27Å; C4-C43 WeakPolarHBondContact SG-CB 3.35Å; C4-C43 CovalentContact SG-SG 2.02Å; C4-C43 PolarHBondContact SG-SG 2.83Å
5	E	39.4	Very low	35.1	Very low	90 Å²	90	92.3 Å²	92.3	42%	0.421	45%	0.452	S	S	.	.			trans	-93.5	108.4	-177	-156	-176.2	149.6	0	0	109.2	L3 R7 C90	L3-E5 PolarHBondContact O-N 3.36Å; E5-R7 VanDerWaalsContact C-N 3.31Å; E5-R7 HydrophobicContact CB-CG 4.39Å; E5-R7 HydrophobicContact CG-CG 4.06Å; E5-R7 PolarHBondContact O-N 3.36Å; E5-R7 IonicContact OE1-CZ 3.47Å; E5-R7 IonicContact OE1-NE 3.41Å; E5-R7 PolarHBondContact OE1-NE 3.47Å; E5-R7 IonicContact OE1-NH2 2.86Å; E5-R7 PolarHBondContact OE1-NH2 3.21Å; E5-R7 IonicContact OE2-CZ 3.3Å; E5-R7 IonicContact OE2-NE 2.62Å; E5-R7 PolarHBondContact OE2-NE 2.8Å; E5-R7 IonicContact OE2-NH2 2.79Å; E5-R7 PolarHBondContact OE2-NH2 2.93Å; E5-C90 VanDerWaalsContact O-O 3.13Å
6	R	41	Very low	35.2	Very low	170 Å²	170	96.4 Å²	96.4	64%	0.642	48%	0.477	S	S	*	.			trans	-69.6	87.3	175.2	-172.6	175.2	176.3	163.3	1.5	109.3	I94	R6-I94 HydrophobicContact CG-CD1 4.41Å
7	R	39.2	Very low	34.9	Very low	89 Å²	89	94.2 Å²	94.2	34%	0.336	48%	0.477	S	S	.	.			trans	-95.1	128.8	178	-70.3	-168.8	-179.9	-175.9	9.6	111.9	E5 V91	E5-R7 VanDerWaalsContact C-N 3.31Å; E5-R7 HydrophobicContact CB-CG 4.39Å; E5-R7 HydrophobicContact CG-CG 4.06Å; E5-R7 PolarHBondContact O-N 3.36Å; E5-R7 IonicContact OE1-CZ 3.47Å; E5-R7 IonicContact OE1-NE 3.41Å; E5-R7 PolarHBondContact OE1-NE 3.47Å; E5-R7 IonicContact OE1-NH2 2.86Å; E5-R7 PolarHBondContact OE1-NH2 3.21Å; E5-R7 IonicContact OE2-CZ 3.3Å; E5-R7 IonicContact OE2-NE 2.62Å; E5-R7 PolarHBondContact OE2-NE 2.8Å; E5-R7 IonicContact OE2-NH2 2.79Å; E5-R7 PolarHBondContact OE2-NH2 2.93Å; R7-V91 HydrophobicContact CB-CG1 4.37Å
8	R	42	Very low	34.6	Very low	124 Å²	124	93.3 Å²	93.3	47%	0.468	49%	0.487	S	S	.	.			trans	-65.6	136.9	167.1	-170	174.7	172.3	133.8	1.2	108.7	E10 Q11 A12	R8-E10 VanDerWaalsContact C-N 3.27Å; R8-E10 HydrophobicContact CG-CB 4.49Å; R8-E10 IonicContact CZ-OE2 3.43Å; R8-E10 IonicContact NE-OE2 3.18Å; R8-E10 PolarHBondContact NE-OE2 3.49Å; R8-E10 IonicContact NH2-OE2 3.41Å; R8-E10 PolarHBondContact NH2-OE2 3.15Å; R8-E10 PolarHBondContact O-N 3.09Å; R8-Q11 WeakPolarHBondContact O-CB 3.3Å; R8-Q11 PolarHBondContact O-N 2.98Å; R8-A12 PolarHBondContact O-N 2.94Å
9	V	43.1	Very low	34.5	Very low	0 Å²	0	95.3 Å²	95.3	0%	0	51%	0.506	C	S	.	.	H	α-helix	trans	-60.7	-36	-173.1	164.9	0	0	0	0	112.7	Q11 A12 L13 F58 I93 E95	V9-Q11 PolarHBondContact O-N 3.49Å; V9-Q11 VanDerWaalsContact O-N 3.15Å; V9-A12 PolarHBondContact O-N 3.25Å; V9-L13 HydrophobicContact CG1-CD1 3.63Å; V9-L13 HydrophobicContact CG1-CG 4.09Å; V9-L13 PolarHBondContact O-N 3.09Å; V9-F58 HydrophobicContact CG1-CE1 4.35Å; V9-I93 HydrophobicContact CB-CG2 4.33Å; V9-I93 HydrophobicContact CG2-CB 3.66Å; V9-I93 HydrophobicContact CG2-CD1 3.54Å; V9-I93 HydrophobicContact CG2-CG1 3.3Å; V9-I93 HydrophobicContact CG2-CG2 3.21Å; V9-E95 HydrophobicContact CB-CG 3.95Å; V9-E95 WeakPolarHBondContact CB-OE1 2.65Å; V9-E95 HydrophobicContact CG2-CG 4.39Å
10	E	31.5	Very low	34.5	Very low	59 Å²	59	93.7 Å²	93.7	28%	0.276	51%	0.506	S	S	.	.	H	α-helix	trans	-46.3	-43	169	-78.4	-178.3	125	0	0	112.6	R8 W14 E95	R8-E10 VanDerWaalsContact C-N 3.27Å; R8-E10 HydrophobicContact CG-CB 4.49Å; R8-E10 IonicContact CZ-OE2 3.43Å; R8-E10 IonicContact NE-OE2 3.18Å; R8-E10 PolarHBondContact NE-OE2 3.49Å; R8-E10 IonicContact NH2-OE2 3.41Å; R8-E10 PolarHBondContact NH2-OE2 3.15Å; R8-E10 PolarHBondContact O-N 3.09Å; E10-W14 HydrophobicContact CB-CE3 3.98Å; E10-W14 HydrophobicContact CB-CH2 4.32Å; E10-W14 HydrophobicContact CB-CZ3 3.82Å; E10-W14 HydrophobicContact CG-CH2 4.27Å; E10-W14 HydrophobicContact CG-CZ3 4.25Å; E10-W14 VanDerWaalsContact O-CB 3.25Å; E10-W14 WeakPolarHBondContact O-CB 3.35Å; E10-W14 VanDerWaalsContact O-CG 3.31Å; E10-W14 PolarHBondContact O-N 2.82Å; E10-E95 PolarHBondContact N-OE1 3.31Å
11	Q	36.2	Very low	34.4	Very low	96 Å²	96	100.6 Å²	100.6	45%	0.449	53%	0.525	S	S	.	.	H	α-helix	trans	-74.4	-33.3	179	-69.6	-179.9	-11.7	0	0	113.3	R8 V9 S15	R8-Q11 WeakPolarHBondContact O-CB 3.3Å; R8-Q11 PolarHBondContact O-N 2.98Å; V9-Q11 PolarHBondContact O-N 3.49Å; V9-Q11 VanDerWaalsContact O-N 3.15Å; Q11-S15 WeakPolarHBondContact O-CB 3.35Å; Q11-S15 PolarHBondContact O-N 2.92Å; Q11-S15 PolarHBondContact O-OG 3.3Å
12	A	35.3	Very low	34.7	Very low	27 Å²	27	101.3 Å²	101.3	22%	0.223	52%	0.515	C	S	.	.	H	α-helix	trans	-69	-36.9	177.4	0	0	0	0	0	111.7	R8 V9 I62	R8-A12 PolarHBondContact O-N 2.94Å; V9-A12 PolarHBondContact O-N 3.25Å; A12-I62 HydrophobicContact CB-CD1 4.26Å
13	L	32.5	Very low	34.6	Very low	65 Å²	65	101.2 Å²	101.2	34%	0.34	52%	0.52	S	S	.	.	H	α-helix	trans	-75.5	-40.5	174.8	-65.9	167.9	0	0	0	111.7	V9 N16 F58 Y98	V9-L13 HydrophobicContact CG1-CD1 3.63Å; V9-L13 HydrophobicContact CG1-CG 4.09Å; V9-L13 PolarHBondContact O-N 3.09Å; L13-N16 PolarHBondContact O-N 2.86Å; L13-F58 HydrophobicContact CD1-CE1 4.07Å; L13-Y98 WeakPolarHBondContact CD1-OH 3.39Å
14	W	28.4	Very low	34.6	Very low	121 Å²	121	101 Å²	101	46%	0.458	53%	0.528	S	S	.	.	H	α-helix	trans	-78.4	-13.2	179.1	-71.6	-30.6	0	0	0	115.2	E10 N16 A17 A18 A20	E10-W14 HydrophobicContact CB-CE3 3.98Å; E10-W14 HydrophobicContact CB-CH2 4.32Å; E10-W14 HydrophobicContact CB-CZ3 3.82Å; E10-W14 HydrophobicContact CG-CH2 4.27Å; E10-W14 HydrophobicContact CG-CZ3 4.25Å; E10-W14 VanDerWaalsContact O-CB 3.25Å; E10-W14 WeakPolarHBondContact O-CB 3.35Å; E10-W14 VanDerWaalsContact O-CG 3.31Å; E10-W14 PolarHBondContact O-N 2.82Å; W14-N16 PolarHBondContact O-N 3.08Å; W14-N16 VanDerWaalsContact O-N 3.15Å; W14-A17 CarbonylContact O-C 3.44Å; W14-A17 WeakPolarHBondContact O-CA 3.16Å; W14-A17 PolarHBondContact O-N 3.12Å; W14-A18 PolarHBondContact O-N 3.03Å; W14-A20 HydrophobicContact CD2-CB 4.15Å; W14-A20 HydrophobicContact CE3-CB 3.79Å; W14-A20 HydrophobicContact CH2-CB 4.36Å; W14-A20 HydrophobicContact CZ3-CB 3.91Å
15	S	33.5	Very low	34.4	Very low	78 Å²	78	106.3 Å²	106.3	55%	0.545	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.9	171.3	-65.7	0	0	0	0	112.1	Q11	Q11-S15 WeakPolarHBondContact O-CB 3.35Å; Q11-S15 PolarHBondContact O-N 2.92Å; Q11-S15 PolarHBondContact O-OG 3.3Å
16	N	36.5	Very low	34	Very low	158 Å²	158	113.1 Å²	113.1	85%	0.845	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-3.3	171	-74.3	-13.7	0	0	0	113.8	L13 W14	L13-N16 PolarHBondContact O-N 2.86Å; W14-N16 PolarHBondContact O-N 3.08Å; W14-N16 VanDerWaalsContact O-N 3.15Å
17	A	29.4	Very low	33.3	Very low	58 Å²	58	110.3 Å²	110.3	48%	0.479	57%	0.568	S	S	.	*	S	Bend	trans	-149.3	70.9	-172.1	0	0	0	0	0	112.4	W14	W14-A17 CarbonylContact O-C 3.44Å; W14-A17 WeakPolarHBondContact O-CA 3.16Å; W14-A17 PolarHBondContact O-N 3.12Å
18	A	29.7	Very low	33	Very low	79 Å²	79	110.9 Å²	110.9	65%	0.653	58%	0.583	S	S	*	*			trans	61.3	154.8	157.5	0	0	0	0	0	118.1	W14 A20	W14-A18 PolarHBondContact O-N 3.03Å; A18-A20 PolarHBondContact O-N 3.3Å; A18-A20 VanDerWaalsContact O-N 3.09Å
19	P	34.1	Very low	32.4	Very low	131 Å²	131	112.5 Å²	112.5	85%	0.851	60%	0.598	S	S	*	*			trans	-84.8	99.8	-157.9	32.9	-31.4	0	0	0	111.8
20	A	33.8	Very low	32.2	Very low	62 Å²	62	121.6 Å²	121.6	51%	0.512	64%	0.637	S	S	.	*			trans	-83.7	138.7	168.5	0	0	0	0	0	111.4	W14 A18	W14-A20 HydrophobicContact CD2-CB 4.15Å; W14-A20 HydrophobicContact CE3-CB 3.79Å; W14-A20 HydrophobicContact CH2-CB 4.36Å; W14-A20 HydrophobicContact CZ3-CB 3.91Å; A18-A20 PolarHBondContact O-N 3.3Å; A18-A20 VanDerWaalsContact O-N 3.09Å
21	R	31.3	Very low	32.5	Very low	239 Å²	239	126.3 Å²	126.3	90%	0.902	67%	0.665	S	S	*	*			trans	-68	133.9	-161.4	-65.8	171.4	177.5	-172.6	-0.5	114.3	G23	R21-G23 PolarHBondContact O-N 3.01Å; R21-G23 VanDerWaalsContact O-N 3.08Å
22	R	33	Very low	32.8	Very low	254 Å²	254	126.3 Å²	126.3	96%	0.958	67%	0.668	S	S	*	*			trans	42.9	51.8	136.4	-136.9	-174.7	-90.9	-152.5	-2.2	116.6
23	G	29.1	Very low	33.2	Very low	55 Å²	55	130 Å²	130	57%	0.567	68%	0.683	S	S	*	*			trans	-85.2	131.1	161.9	0	0	0	0	0	110.4	R21 F25	R21-G23 PolarHBondContact O-N 3.01Å; R21-G23 VanDerWaalsContact O-N 3.08Å; G23-F25 PolarHBondContact O-N 2.95Å; G23-F25 VanDerWaalsContact O-N 3.09Å
24	S	31.9	Very low	33.5	Very low	107 Å²	107	132.7 Å²	132.7	75%	0.748	70%	0.698	S	S	*	*			trans	-37.1	104.3	-172.8	-43	0	0	0	0	114.5	W26	S24-W26 PolarHBondContact O-N 2.99Å; S24-W26 VanDerWaalsContact O-N 3.09Å
25	F	32	Very low	34.1	Very low	170 Å²	170	132.9 Å²	132.9	75%	0.746	70%	0.699	S	S	*	*			trans	-67.9	103.1	166.8	-175.4	-100.7	0	0	0	107	G23 T27	G23-F25 PolarHBondContact O-N 2.95Å; G23-F25 VanDerWaalsContact O-N 3.09Å; F25-T27 VanDerWaalsContact C-N 3.34Å; F25-T27 HydrophobicContact CD1-CG2 4.32Å; F25-T27 HydrophobicContact CE1-CG2 4.21Å; F25-T27 PolarHBondContact O-N 2.93Å
26	W	30	Very low	34.3	Very low	233 Å²	233	134.1 Å²	134.1	88%	0.883	70%	0.696	S	S	*	*			trans	-62.9	102.2	168.4	-70.3	84.4	0	0	0	106.7	S24 P28	S24-W26 PolarHBondContact O-N 2.99Å; S24-W26 VanDerWaalsContact O-N 3.09Å; W26-P28 WeakPolarHBondContact O-CD 3.24Å
27	T	28	Very low	34.4	Very low	111 Å²	111	131 Å²	131	68%	0.681	68%	0.683	S	S	*	*			trans	-61.9	114.2	169.5	-1.6	0	0	0	0	106.5	F25 M29	F25-T27 VanDerWaalsContact C-N 3.34Å; F25-T27 HydrophobicContact CD1-CG2 4.32Å; F25-T27 HydrophobicContact CE1-CG2 4.21Å; F25-T27 PolarHBondContact O-N 2.93Å; T27-M29 PolarHBondContact O-N 2.8Å; T27-M29 VanDerWaalsContact O-N 3.11Å
28	P	32.2	Very low	35	Very low	102 Å²	102	132.2 Å²	132.2	66%	0.662	68%	0.681	S	S	*	*			trans	-58	123.2	175.6	20.7	-27.2	0	0	0	107.6	W26 K30	W26-P28 WeakPolarHBondContact O-CD 3.24Å; P28-K30 PolarHBondContact O-N 3.13Å
29	M	29.6	Very low	35.7	Very low	158 Å²	158	135 Å²	135	78%	0.778	70%	0.695	S	S	*	*			trans	-61.6	138.4	173.1	-80.6	-170.5	161.5	0	0	107.7	T27 D31 D32	T27-M29 PolarHBondContact O-N 2.8Å; T27-M29 VanDerWaalsContact O-N 3.11Å; M29-D31 PolarHBondContact O-N 2.93Å; M29-D32 PolarHBondContact O-N 3.18Å
30	K	37.8	Very low	36.2	Very low	190 Å²	190	130.6 Å²	130.6	83%	0.826	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-4.1	-171.2	-137.6	175.1	174.9	-179.8	0	115.4	P28	P28-K30 PolarHBondContact O-N 3.13Å
31	D	37.7	Very low	37	Very low	159 Å²	159	134.4 Å²	134.4	85%	0.85	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-3.7	177	-84.1	-88.2	0	0	0	113.3	M29 D33	M29-D31 PolarHBondContact O-N 2.93Å; D31-D33 VanDerWaalsContact C-N 3.33Å
32	D	43.1	Very low	37.9	Very low	96 Å²	96	126 Å²	126	51%	0.513	65%	0.648	S	S	.	*			trans	-89.7	9.3	177.3	-110.5	-72.6	0	0	0	113.5	M29 D34 W35	M29-D32 PolarHBondContact O-N 3.18Å; D32-D34 VanDerWaalsContact C-N 3.26Å; D32-D34 PolarHBondContact O-N 2.92Å; D32-W35 VanDerWaalsContact OD1-CD1 3.25Å; D32-W35 PolarHBondContact OD1-NE1 2.84Å; D32-W35 VanDerWaalsContact OD1-NE1 3.12Å
33	D	43.6	Very low	38.9	Very low	103 Å²	103	114.2 Å²	114.2	55%	0.551	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-72.9	-11.8	-177.5	-101	-75.8	0	0	0	114	D31 W35 H36	D31-D33 VanDerWaalsContact C-N 3.33Å; D33-W35 VanDerWaalsContact C-N 3.26Å; D33-W35 PolarHBondContact O-N 3.47Å; D33-H36 PolarHBondContact O-N 2.98Å; D33-H36 IonicContact OD1-CD2 3.12Å
34	D	38.7	Very low	40.1	Very low	122 Å²	122	114.8 Å²	114.8	65%	0.652	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-79.9	-3.5	-176.2	-140.5	-12.8	0	0	0	113.9	D32 T37	D32-D34 VanDerWaalsContact C-N 3.26Å; D32-D34 PolarHBondContact O-N 2.92Å; D34-T37 PolarHBondContact O-OG1 2.99Å; D34-T37 PolarHBondContact OD1-OG1 3.36Å
35	W	41.1	Very low	41.5	Very low	125 Å²	125	110.4 Å²	110.4	47%	0.473	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-84	-17.8	173.6	-59.5	94.6	0	0	0	112.8	D32 D33 T37 L38 F44	D32-W35 VanDerWaalsContact OD1-CD1 3.25Å; D32-W35 PolarHBondContact OD1-NE1 2.84Å; D32-W35 VanDerWaalsContact OD1-NE1 3.12Å; D33-W35 VanDerWaalsContact C-N 3.26Å; D33-W35 PolarHBondContact O-N 3.47Å; W35-T37 PolarHBondContact O-N 3.15Å; W35-L38 HydrophobicContact CE3-CD1 4.41Å; W35-F44 AromaticContact CE3-CE2 3.98Å; W35-F44 HydrophobicContact CE3-CE2 3.98Å; W35-F44 HydrophobicContact CE3-CZ 4.02Å; W35-F44 HydrophobicContact CH2-CE2 4.48Å; W35-F44 AromaticContact CH2-CZ 3.97Å; W35-F44 HydrophobicContact CH2-CZ 3.97Å; W35-F44 AromaticContact CZ3-CE2 3.97Å; W35-F44 HydrophobicContact CZ3-CE2 3.97Å; W35-F44 AromaticContact CZ3-CZ 3.54Å; W35-F44 HydrophobicContact CZ3-CZ 3.54Å
36	H	38.6	Very low	42.9	Very low	105 Å²	105	102.4 Å²	102.4	49%	0.486	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-11.5	178.8	-68.8	-49	0	0	0	113.3	L3 D33	L3-H36 WeakPolarHBondContact CD2-CE1 3.48Å; D33-H36 PolarHBondContact O-N 2.98Å; D33-H36 IonicContact OD1-CD2 3.12Å
37	T	38.2	Very low	44.7	Very low	92 Å²	92	91.3 Å²	91.3	56%	0.564	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-5.6	-176.3	50	0	0	0	0	114.2	D34 W35 S39	D34-T37 PolarHBondContact O-OG1 2.99Å; D34-T37 PolarHBondContact OD1-OG1 3.36Å; W35-T37 PolarHBondContact O-N 3.15Å; T37-S39 PolarHBondContact O-N 3.15Å
38	L	41.2	Very low	46.6	Very low	83 Å²	83	86.5 Å²	86.5	44%	0.435	45%	0.454	S	S	.	.	S	Bend	trans	-66.3	110.8	168.8	-77.5	106.2	0	0	0	108.8	W35 G40 L42	W35-L38 HydrophobicContact CE3-CD1 4.41Å; L38-G40 CarbonylContact O-C 3.49Å; L38-G40 PolarHBondContact O-N 2.9Å; L38-L42 HydrophobicContact CB-CD1 4.39Å; L38-L42 HydrophobicContact CD2-CD1 3.67Å
39	S	43.9	Very low	48.3	Very low	138 Å²	138	86.9 Å²	86.9	97%	0.965	45%	0.447	S	S	*	.	S	Bend	trans	-60.3	5.5	-176.1	-56.5	0	0	0	0	115.9	T37	T37-S39 PolarHBondContact O-N 3.15Å
40	G	46.3	Very low	50	Low	39 Å²	39	85 Å²	85	40%	0.402	44%	0.441	S	S	.	.	S	Bend	trans	-123.1	145.5	166.8	0	0	0	0	0	108.3	L38 L42	L38-G40 CarbonylContact O-C 3.49Å; L38-G40 PolarHBondContact O-N 2.9Å; G40-L42 PolarHBondContact O-N 3.27Å
41	R	50.1	Low	51.4	Low	142 Å²	142	76.5 Å²	76.5	54%	0.536	40%	0.403	S	S	.	.			trans	-66.7	62.6	177.1	-62.3	176.4	-172.3	175.9	4.2	110.9	C86 S87	R41-C86 WeakPolarHBondContact CB-O 2.94Å; R41-C86 WeakPolarHBondContact CD-O 3.45Å; R41-C86 PolarHBondContact O-N 3.02Å; R41-S87 PolarHBondContact NH1-O 3.41Å
42	L	49	Very low	52.9	Low	63 Å²	63	75.1 Å²	75.1	33%	0.33	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	116.7	-179.3	-69.3	172.7	0	0	0	106.6	C4 L38 G40 L83 D84	C4-L42 PolarHBondContact SG-O 3.02Å; C4-L42 VanDerWaalsContact SG-O 3.41Å; L38-L42 HydrophobicContact CB-CD1 4.39Å; L38-L42 HydrophobicContact CD2-CD1 3.67Å; G40-L42 PolarHBondContact O-N 3.27Å; L42-L83 HydrophobicContact CB-CD2 4.45Å; L42-D84 WeakPolarHBondContact CA-O 2.85Å
43	C	53.9	Low	54.2	Low	5 Å²	5	74.7 Å²	74.7	3%	0.034	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	155.2	175.5	-55.6	0	0	0	0	110	C4 S45 D84 C90	C4-C43 HydrophobicContact CB-CB 3.92Å; C4-C43 WeakPolarHBondContact CB-SG 3.27Å; C4-C43 WeakPolarHBondContact SG-CB 3.35Å; C4-C43 CovalentContact SG-SG 2.02Å; C4-C43 PolarHBondContact SG-SG 2.83Å; C43-S45 PolarHBondContact O-N 3.01Å; C43-D84 PolarHBondContact N-O 3.28Å; C43-D84 PolarHBondContact O-N 2.96Å; C43-C90 HydrophobicContact CB-CB 3.2Å; C43-C90 WeakPolarHBondContact CB-SG 3.36Å; C43-C90 VanDerWaalsContact SG-CB 3.53Å; C43-C90 PolarHBondContact SG-SG 3.2Å
44	F	55.6	Low	55.3	Low	67 Å²	67	72.6 Å²	72.6	29%	0.294	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	114	178	-64.9	-76	0	0	0	109.8	W35 L81 L83 T92	W35-F44 AromaticContact CE3-CE2 3.98Å; W35-F44 HydrophobicContact CE3-CE2 3.98Å; W35-F44 HydrophobicContact CE3-CZ 4.02Å; W35-F44 HydrophobicContact CH2-CE2 4.48Å; W35-F44 AromaticContact CH2-CZ 3.97Å; W35-F44 HydrophobicContact CH2-CZ 3.97Å; W35-F44 AromaticContact CZ3-CE2 3.97Å; W35-F44 HydrophobicContact CZ3-CE2 3.97Å; W35-F44 AromaticContact CZ3-CZ 3.54Å; W35-F44 HydrophobicContact CZ3-CZ 3.54Å; F44-L81 HydrophobicContact CD1-CB 3.89Å; F44-L81 HydrophobicContact CD1-CD1 4.48Å; F44-L81 HydrophobicContact CE1-CB 4.34Å; F44-L83 HydrophobicContact CD1-CD2 3.61Å; F44-L83 HydrophobicContact CD1-CG 4.21Å; F44-L83 HydrophobicContact CD2-CD2 4.34Å; F44-L83 HydrophobicContact CE1-CD2 3.35Å; F44-L83 HydrophobicContact CE1-CG 3.87Å; F44-L83 HydrophobicContact CE2-CD2 4.1Å; F44-L83 HydrophobicContact CG-CD2 4.13Å; F44-L83 HydrophobicContact CZ-CD2 3.62Å; F44-L83 HydrophobicContact CZ-CG 4.48Å; F44-T92 PolarHBondContact O-OG1 3.11Å
45	S	61	Low	56.7	Low	16 Å²	16	67.2 Å²	67.2	11%	0.112	35%	0.352	C	S	.	.			trans	-110.1	88.1	-176.3	-175	0	0	0	0	109.1	C43 P65 S66 N67 A82	C43-S45 PolarHBondContact O-N 3.01Å; S45-P65 VanDerWaalsContact OG-CA 3.29Å; S45-P65 WeakPolarHBondContact OG-CA 2.96Å; S45-S66 VanDerWaalsContact CB-OG 3.24Å; S45-S66 WeakPolarHBondContact CB-OG 3.42Å; S45-S66 PolarHBondContact O-N 3.23Å; S45-S66 VanDerWaalsContact O-N 3.16Å; S45-S66 PolarHBondContact OG-N 2.68Å; S45-S66 VanDerWaalsContact OG-N 3.11Å; S45-S66 PolarHBondContact OG-OG 3.09Å; S45-N67 PolarHBondContact O-N 3.38Å; S45-A82 PolarHBondContact N-O 2.92Å
46	C	61.7	Low	58	Low	2 Å²	2	66.2 Å²	66.2	1%	0.014	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	148	-177.8	92.1	0	0	0	0	111.3	N67 C72 L81 I93	C46-N67 VanDerWaalsContact CA-O 3.26Å; C46-N67 WeakPolarHBondContact CA-O 3.2Å; C46-C72 HydrophobicContact CB-CB 4.36Å; C46-C72 WeakPolarHBondContact CB-SG 3Å; C46-C72 WeakPolarHBondContact SG-CA 3.26Å; C46-C72 WeakPolarHBondContact SG-CB 3.44Å; C46-C72 CovalentContact SG-SG 2.02Å; C46-C72 PolarHBondContact SG-SG 2.99Å; C46-L81 HydrophobicContact CB-CD2 3.72Å; C46-L81 VanDerWaalsContact SG-CD2 3.5Å; C46-I93 PolarHBondContact O-N 2.64Å
47	A	67.7	Low	59.4	Low	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	160.9	172.9	0	0	0	0	0	111.3	P65 N67 F68 T69 C72 I93	A47-P65 HydrophobicContact CB-CB 3.99Å; A47-P65 HydrophobicContact CB-CG 3.61Å; A47-N67 PolarHBondContact N-O 3.33Å; A47-F68 HydrophobicContact CB-CD1 3.94Å; A47-F68 HydrophobicContact CB-CE1 4.01Å; A47-F68 CarbonylContact O-C 3.16Å; A47-F68 WeakPolarHBondContact O-CA 2.96Å; A47-T69 PolarHBondContact O-N 3.27Å; A47-C72 PolarHBondContact N-SG 2.76Å; A47-C72 VanDerWaalsContact N-SG 3.38Å; A47-I93 WeakPolarHBondContact CA-O 3.2Å; A47-I93 HydrophobicContact CB-CB 4.06Å; A47-I93 HydrophobicContact CB-CG2 4.3Å
48	S	66.8	Low	60.5	Low	9 Å²	9	63.1 Å²	63.1	6%	0.063	34%	0.337	C	S	.	.			trans	-65.5	146.8	174.5	173.2	0	0	0	0	111.4	N50 Y51	S48-N50 PolarHBondContact O-N 3.48Å; S48-N50 VanDerWaalsContact O-N 3.15Å; S48-N50 PolarHBondContact OG-N 2.87Å; S48-Y51 WeakPolarHBondContact O-CB 3.25Å; S48-Y51 PolarHBondContact O-N 3.17Å
49	E	68.9	Low	61.7	Low	110 Å²	110	64.8 Å²	64.8	51%	0.514	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-57.8	-28.7	177.3	-66.7	-175.6	146.2	0	0	112.9	Y51 K52 F68	E49-Y51 PolarHBondContact O-N 3.41Å; E49-K52 WeakPolarHBondContact O-CB 2.97Å; E49-K52 PolarHBondContact O-N 3.12Å; E49-F68 HydrophobicContact CG-CB 4.47Å
50	N	65.3	Low	62.8	Low	119 Å²	119	69.3 Å²	69.3	64%	0.636	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-59.9	-27.2	174.5	-69.9	-11.8	0	0	0	112.5	S48 K52 S53 H54	S48-N50 PolarHBondContact O-N 3.48Å; S48-N50 VanDerWaalsContact O-N 3.15Å; S48-N50 PolarHBondContact OG-N 2.87Å; N50-K52 VanDerWaalsContact C-N 3.3Å; N50-S53 PolarHBondContact O-OG 2.78Å; N50-H54 PolarHBondContact O-CD2 3.2Å
51	Y	66.9	Low	63.4	Low	12 Å²	12	71.3 Å²	71.3	5%	0.047	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-76.6	-18.2	175.9	-80.6	-94.9	0	0	0	113.1	S48 E49 S53 H54 W55 F58 I93 E95 Y98	S48-Y51 WeakPolarHBondContact O-CB 3.25Å; S48-Y51 PolarHBondContact O-N 3.17Å; E49-Y51 PolarHBondContact O-N 3.41Å; Y51-S53 VanDerWaalsContact C-N 3.27Å; Y51-S53 PolarHBondContact O-N 3.18Å; Y51-H54 CarbonylContact O-C 3.4Å; Y51-H54 PolarHBondContact O-N 2.86Å; Y51-W55 WeakPolarHBondContact O-CA 3.06Å; Y51-W55 WeakPolarHBondContact O-CB 3.42Å; Y51-W55 PolarHBondContact O-N 3.09Å; Y51-F58 HydrophobicContact CD1-CD2 4.15Å; Y51-F58 AromaticContact CD1-CE2 3.67Å; Y51-F58 HydrophobicContact CD1-CE2 3.67Å; Y51-F58 HydrophobicContact CD1-CZ 4.33Å; Y51-F58 AromaticContact CE1-CE2 3.87Å; Y51-F58 HydrophobicContact CE1-CE2 3.87Å; Y51-F58 HydrophobicContact CE1-CZ 4.06Å; Y51-I93 HydrophobicContact CD1-CG2 4.2Å; Y51-I93 HydrophobicContact CD2-CG2 4.35Å; Y51-I93 HydrophobicContact CE1-CG2 4.03Å; Y51-I93 HydrophobicContact CE2-CG2 4.22Å; Y51-I93 HydrophobicContact CG-CG2 4.34Å; Y51-E95 HydrophobicContact CE2-CB 3.46Å; Y51-E95 VanDerWaalsContact CE2-CB 3.46Å; Y51-E95 HydrophobicContact CE2-CG 4.28Å; Y51-E95 WeakPolarHBondContact OH-CB 3.47Å; Y51-E95 WeakPolarHBondContact OH-CG 3.45Å; Y51-E95 PolarHBondContact OH-OE2 2.62Å; Y51-Y98 HydrophobicContact CE1-CD2 4.48Å; Y51-Y98 HydrophobicContact CE1-CE2 4.49Å; Y51-Y98 AromaticContact CZ-CD2 3.9Å; Y51-Y98 WeakPolarHBondContact OH-CD2 3.23Å; Y51-Y98 WeakPolarHBondContact OH-CE2 3.34Å
52	K	69.2	Low	63.9	Low	130 Å²	130	65.5 Å²	65.5	57%	0.565	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-38.8	-175.1	-170.9	178.6	177.6	-179.3	0	111.7	E49 N50 H54 F68	E49-K52 WeakPolarHBondContact O-CB 2.97Å; E49-K52 PolarHBondContact O-N 3.12Å; N50-K52 VanDerWaalsContact C-N 3.3Å; K52-H54 VanDerWaalsContact C-N 3.35Å; K52-F68 HydrophobicContact CB-CB 4.47Å; K52-F68 HydrophobicContact CB-CD1 3.89Å; K52-F68 HydrophobicContact CB-CE1 4.24Å; K52-F68 HydrophobicContact CB-CG 4.08Å; K52-F68 HydrophobicContact CG-CD2 4.38Å; K52-F68 HydrophobicContact CG-CG 4.29Å
53	S	70.4	Confident	64.5	Low	87 Å²	87	69.1 Å²	69.1	61%	0.608	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-27.6	176.3	52.4	0	0	0	0	113.3	N50 Y51	N50-S53 PolarHBondContact O-OG 2.78Å; Y51-S53 VanDerWaalsContact C-N 3.27Å; Y51-S53 PolarHBondContact O-N 3.18Å
54	H	66.2	Low	65	Low	59 Å²	59	75.9 Å²	75.9	27%	0.273	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-0.8	-178	-61.9	-78.7	0	0	0	113.3	N50 Y51 K52 D56 I57 F58 F100	N50-H54 PolarHBondContact O-CD2 3.2Å; Y51-H54 CarbonylContact O-C 3.4Å; Y51-H54 PolarHBondContact O-N 2.86Å; K52-H54 VanDerWaalsContact C-N 3.35Å; H54-D56 PolarHBondContact O-N 2.94Å; H54-D56 VanDerWaalsContact O-N 3.12Å; H54-I57 HydrophobicContact CB-CD1 4.48Å; H54-I57 WeakPolarHBondContact O-CB 3.42Å; H54-I57 PolarHBondContact O-N 3.21Å; H54-F58 HydrophobicContact CB-CE2 4.04Å; H54-F58 WeakPolarHBondContact O-CD2 2.95Å; H54-F100 AromaticContact CD2-CE2 3.87Å; H54-F100 AromaticContact CE1-CE2 3.27Å; H54-F100 WeakPolarHBondContact CE1-CE2 3.44Å; H54-F100 AromaticContact CE1-CZ 3.16Å; H54-F100 WeakPolarHBondContact CE1-CZ 2.96Å; H54-F100 AromaticContact CG-CZ 3.79Å; H54-F100 AromaticContact ND1-CE2 3.78Å; H54-F100 AromaticContact ND1-CZ 3.24Å; H54-F100 WeakPolarHBondContact ND1-CZ 3.31Å; H54-F100 AromaticContact NE2-CE2 3.35Å; H54-F100 WeakPolarHBondContact NE2-CE2 3.11Å; H54-F100 AromaticContact NE2-CZ 3.69Å
55	W	68.2	Low	65.6	Low	8 Å²	8	73 Å²	73	3%	0.03	36%	0.357	C	S	.	.	H	α-helix	trans	-58.6	-31.8	-173.3	-177.4	-100.7	0	0	0	113	Y51 I57 F58 K59 I62 N63 R64 P65 F68 I93	Y51-W55 WeakPolarHBondContact O-CA 3.06Å; Y51-W55 WeakPolarHBondContact O-CB 3.42Å; Y51-W55 PolarHBondContact O-N 3.09Å; W55-I57 PolarHBondContact O-N 3.11Å; W55-I57 VanDerWaalsContact O-N 3.09Å; W55-F58 HydrophobicContact CE3-CB 3.99Å; W55-F58 HydrophobicContact CE3-CD2 4.38Å; W55-F58 HydrophobicContact CH2-CB 4.08Å; W55-F58 HydrophobicContact CZ3-CB 3.78Å; W55-F58 PolarHBondContact O-N 3.42Å; W55-K59 PolarHBondContact O-N 3.16Å; W55-I62 HydrophobicContact CH2-CB 4.12Å; W55-I62 HydrophobicContact CH2-CG2 4.34Å; W55-I62 VanDerWaalsContact CZ2-O 3.3Å; W55-I62 WeakPolarHBondContact CZ2-O 3.4Å; W55-N63 WeakPolarHBondContact CH2-O 3.16Å; W55-N63 VanDerWaalsContact CZ2-C 3.49Å; W55-N63 WeakPolarHBondContact CZ2-O 3.3Å; W55-R64 VanDerWaalsContact CD1-NH1 3.34Å; W55-R64 HydrophobicContact CD2-CG 4.48Å; W55-R64 HydrophobicContact CZ2-CB 3.9Å; W55-R64 HydrophobicContact CZ2-CG 4.37Å; W55-P65 HydrophobicContact CE3-CG 4.48Å; W55-P65 HydrophobicContact CZ3-CG 4.42Å; W55-F68 HydrophobicContact CB-CE1 4.43Å; W55-F68 HydrophobicContact CB-CZ 4.07Å; W55-F68 HydrophobicContact CD2-CE1 4.47Å; W55-F68 AromaticContact CD2-CZ 3.91Å; W55-F68 HydrophobicContact CD2-CZ 3.91Å; W55-F68 HydrophobicContact CE3-CE1 4.23Å; W55-F68 HydrophobicContact CE3-CZ 4.08Å; W55-F68 AromaticContact CG-CZ 3.84Å; W55-F68 HydrophobicContact CG-CZ 3.84Å; W55-I93 HydrophobicContact CH2-CD1 4.41Å; W55-I93 HydrophobicContact CZ3-CD1 3.79Å
56	D	69.4	Low	65.7	Low	105 Å²	105	74.8 Å²	74.8	56%	0.561	37%	0.369	S	S	*	.	H	α-helix	trans	-58.4	-23	177.1	-84.2	-55	0	0	0	114.1	H54 K59	H54-D56 PolarHBondContact O-N 2.94Å; H54-D56 VanDerWaalsContact O-N 3.12Å; D56-K59 VanDerWaalsContact O-CE 3.3Å; D56-K59 WeakPolarHBondContact O-CE 3.11Å; D56-K59 WeakPolarHBondContact O-CG 3.33Å; D56-K59 IonicContact OD1-NZ 2.8Å; D56-K59 PolarHBondContact OD1-NZ 3.05Å
57	I	67.8	Low	65.8	Low	115 Å²	115	77.7 Å²	77.7	59%	0.59	39%	0.385	S	S	*	.	H	α-helix	trans	-76.9	-37.8	174.9	-55.9	173.6	0	0	0	110.2	H54 W55	H54-I57 HydrophobicContact CB-CD1 4.48Å; H54-I57 WeakPolarHBondContact O-CB 3.42Å; H54-I57 PolarHBondContact O-N 3.21Å; W55-I57 PolarHBondContact O-N 3.11Å; W55-I57 VanDerWaalsContact O-N 3.09Å
58	F	61.3	Low	65.9	Low	16 Å²	16	78.7 Å²	78.7	7%	0.07	39%	0.389	C	S	.	.	H	α-helix	trans	-87.8	-17.2	-174	-56.9	-65.8	0	0	0	114.3	V9 L13 Y51 H54 W55 R60 S61 I62	V9-F58 HydrophobicContact CG1-CE1 4.35Å; L13-F58 HydrophobicContact CD1-CE1 4.07Å; Y51-F58 HydrophobicContact CD1-CD2 4.15Å; Y51-F58 AromaticContact CD1-CE2 3.67Å; Y51-F58 HydrophobicContact CD1-CE2 3.67Å; Y51-F58 HydrophobicContact CD1-CZ 4.33Å; Y51-F58 AromaticContact CE1-CE2 3.87Å; Y51-F58 HydrophobicContact CE1-CE2 3.87Å; Y51-F58 HydrophobicContact CE1-CZ 4.06Å; H54-F58 HydrophobicContact CB-CE2 4.04Å; H54-F58 WeakPolarHBondContact O-CD2 2.95Å; W55-F58 HydrophobicContact CE3-CB 3.99Å; W55-F58 HydrophobicContact CE3-CD2 4.38Å; W55-F58 HydrophobicContact CH2-CB 4.08Å; W55-F58 HydrophobicContact CZ3-CB 3.78Å; W55-F58 PolarHBondContact O-N 3.42Å; F58-R60 PolarHBondContact O-N 3.16Å; F58-S61 PolarHBondContact O-N 3.48Å; F58-S61 PolarHBondContact O-OG 3.29Å; F58-S61 VanDerWaalsContact O-OG 3.13Å; F58-I62 PolarHBondContact O-N 3.49Å
59	K	66.9	Low	65.8	Low	119 Å²	119	79 Å²	79	52%	0.517	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-19.9	-176.7	73.6	-174.2	167.8	-166.2	0	115.2	W55 D56	W55-K59 PolarHBondContact O-N 3.16Å; D56-K59 VanDerWaalsContact O-CE 3.3Å; D56-K59 WeakPolarHBondContact O-CE 3.11Å; D56-K59 WeakPolarHBondContact O-CG 3.33Å; D56-K59 IonicContact OD1-NZ 2.8Å; D56-K59 PolarHBondContact OD1-NZ 3.05Å
60	R	66.3	Low	65.5	Low	233 Å²	233	77.9 Å²	77.9	88%	0.879	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-26	178.4	-66.9	-172.5	-179.4	-166.1	1.1	113.2	F58	F58-R60 PolarHBondContact O-N 3.16Å
61	S	58.6	Low	65.1	Low	80 Å²	80	74.4 Å²	74.4	56%	0.559	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-28.1	-174	52	0	0	0	0	112.9	F58	F58-S61 PolarHBondContact O-N 3.48Å; F58-S61 PolarHBondContact O-OG 3.29Å; F58-S61 VanDerWaalsContact O-OG 3.13Å
62	I	61.1	Low	64.7	Low	21 Å²	21	74.2 Å²	74.2	11%	0.108	37%	0.373	C	S	.	.	S	Bend	trans	-138	144.6	-173.8	-49.4	172.9	0	0	0	109.2	A12 W55 F58 V91 I93	A12-I62 HydrophobicContact CB-CD1 4.26Å; W55-I62 HydrophobicContact CH2-CB 4.12Å; W55-I62 HydrophobicContact CH2-CG2 4.34Å; W55-I62 VanDerWaalsContact CZ2-O 3.3Å; W55-I62 WeakPolarHBondContact CZ2-O 3.4Å; F58-I62 PolarHBondContact O-N 3.49Å; I62-V91 HydrophobicContact CG2-CB 4.02Å; I62-V91 HydrophobicContact CG2-CG1 4.5Å; I62-V91 HydrophobicContact CG2-CG2 4.39Å; I62-I93 HydrophobicContact CD1-CD1 4Å; I62-I93 HydrophobicContact CG2-CD1 4.39Å
63	N	60.8	Low	63.9	Low	139 Å²	139	73.1 Å²	73.1	74%	0.743	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-65.8	146.6	173.8	-71.8	-29.8	0	0	0	111.3	W55	W55-N63 WeakPolarHBondContact CH2-O 3.16Å; W55-N63 VanDerWaalsContact CZ2-C 3.49Å; W55-N63 WeakPolarHBondContact CZ2-O 3.3Å
64	R	65	Low	63	Low	146 Å²	146	73.8 Å²	73.8	55%	0.551	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-62.4	129.8	180	-172.2	177.8	175.7	106.8	-1.4	110.7	W55 F68	W55-R64 VanDerWaalsContact CD1-NH1 3.34Å; W55-R64 HydrophobicContact CD2-CG 4.48Å; W55-R64 HydrophobicContact CZ2-CB 3.9Å; W55-R64 HydrophobicContact CZ2-CG 4.37Å; R64-F68 HydrophobicContact CG-CE2 4.25Å; R64-F68 HydrophobicContact CG-CZ 4.44Å
65	P	67.2	Low	62.1	Low	8 Å²	8	76.9 Å²	76.9	5%	0.052	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-64.6	143.4	174.4	28.5	-35.4	0	0	0	109.6	S45 A47 W55 N67 F68	S45-P65 VanDerWaalsContact OG-CA 3.29Å; S45-P65 WeakPolarHBondContact OG-CA 2.96Å; A47-P65 HydrophobicContact CB-CB 3.99Å; A47-P65 HydrophobicContact CB-CG 3.61Å; W55-P65 HydrophobicContact CE3-CG 4.48Å; W55-P65 HydrophobicContact CZ3-CG 4.42Å; P65-N67 VanDerWaalsContact C-N 3.25Å; P65-N67 PolarHBondContact O-N 2.68Å; P65-F68 HydrophobicContact CG-CD1 4.17Å; P65-F68 HydrophobicContact CG-CD2 4.27Å; P65-F68 HydrophobicContact CG-CE1 3.6Å; P65-F68 HydrophobicContact CG-CE2 3.72Å; P65-F68 HydrophobicContact CG-CG 4.49Å; P65-F68 HydrophobicContact CG-CZ 3.36Å
66	S	63.7	Low	61	Low	53 Å²	53	86 Å²	86	37%	0.371	42%	0.418	S	S	.	.	S	Bend	trans	-69.5	-30.3	-177.9	-37.9	0	0	0	0	110.8	S45 D84	S45-S66 VanDerWaalsContact CB-OG 3.24Å; S45-S66 WeakPolarHBondContact CB-OG 3.42Å; S45-S66 PolarHBondContact O-N 3.23Å; S45-S66 VanDerWaalsContact O-N 3.16Å; S45-S66 PolarHBondContact OG-N 2.68Å; S45-S66 VanDerWaalsContact OG-N 3.11Å; S45-S66 PolarHBondContact OG-OG 3.09Å; S66-D84 WeakPolarHBondContact OG-CB 3.1Å; S66-D84 PolarHBondContact OG-OD2 2.92Å
67	N	64.2	Low	59.9	Low	63 Å²	63	88.6 Å²	88.6	34%	0.337	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.4	174.8	-148.9	-8.5	0	0	0	112.9	S45 C46 A47 P65 F80	S45-N67 PolarHBondContact O-N 3.38Å; C46-N67 VanDerWaalsContact CA-O 3.26Å; C46-N67 WeakPolarHBondContact CA-O 3.2Å; A47-N67 PolarHBondContact N-O 3.33Å; P65-N67 VanDerWaalsContact C-N 3.25Å; P65-N67 PolarHBondContact O-N 2.68Å; N67-F80 PolarHBondContact ND2-O 2.82Å; N67-F80 VanDerWaalsContact ND2-O 3.08Å
68	F	70.4	Confident	58.8	Low	21 Å²	21	83.5 Å²	83.5	9%	0.092	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	111.4	169.6	-71.1	-91.4	0	0	0	107.6	A47 E49 K52 W55 R64 P65	A47-F68 HydrophobicContact CB-CD1 3.94Å; A47-F68 HydrophobicContact CB-CE1 4.01Å; A47-F68 CarbonylContact O-C 3.16Å; A47-F68 WeakPolarHBondContact O-CA 2.96Å; E49-F68 HydrophobicContact CG-CB 4.47Å; K52-F68 HydrophobicContact CB-CB 4.47Å; K52-F68 HydrophobicContact CB-CD1 3.89Å; K52-F68 HydrophobicContact CB-CE1 4.24Å; K52-F68 HydrophobicContact CB-CG 4.08Å; K52-F68 HydrophobicContact CG-CD2 4.38Å; K52-F68 HydrophobicContact CG-CG 4.29Å; W55-F68 HydrophobicContact CB-CE1 4.43Å; W55-F68 HydrophobicContact CB-CZ 4.07Å; W55-F68 HydrophobicContact CD2-CE1 4.47Å; W55-F68 AromaticContact CD2-CZ 3.91Å; W55-F68 HydrophobicContact CD2-CZ 3.91Å; W55-F68 HydrophobicContact CE3-CE1 4.23Å; W55-F68 HydrophobicContact CE3-CZ 4.08Å; W55-F68 AromaticContact CG-CZ 3.84Å; W55-F68 HydrophobicContact CG-CZ 3.84Å; R64-F68 HydrophobicContact CG-CE2 4.25Å; R64-F68 HydrophobicContact CG-CZ 4.44Å; P65-F68 HydrophobicContact CG-CD1 4.17Å; P65-F68 HydrophobicContact CG-CD2 4.27Å; P65-F68 HydrophobicContact CG-CE1 3.6Å; P65-F68 HydrophobicContact CG-CE2 3.72Å; P65-F68 HydrophobicContact CG-CG 4.49Å; P65-F68 HydrophobicContact CG-CZ 3.36Å
69	T	63.2	Low	58.2	Low	15 Å²	15	88.2 Å²	88.2	9%	0.092	43%	0.434	C	S	.	.			trans	-152.8	143.7	-177	-177.7	0	0	0	0	111.6	A47 L71 C72 L81	A47-T69 PolarHBondContact O-N 3.27Å; T69-L71 HydrophobicContact CG2-CB 4.21Å; T69-L71 PolarHBondContact O-N 2.02Å; T69-L71 WeakPolarHBondContact OG1-CB 3.42Å; T69-L71 WeakPolarHBondContact OG1-CG 3.29Å; T69-L71 PolarHBondContact OG1-N 3.48Å; T69-L71 VanDerWaalsContact OG1-N 3.16Å; T69-C72 PolarHBondContact O-N 2.94Å; T69-C72 PolarHBondContact O-SG 3.38Å; T69-C72 VanDerWaalsContact O-SG 3.33Å; T69-L81 HydrophobicContact CG2-CD2 4.32Å
70	V	62.5	Low	57.3	Low	87 Å²	87	88.4 Å²	88.4	53%	0.527	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-66.5	-18.4	170	-65.3	0	0	0	0	112.7	C72	V70-C72 PolarHBondContact O-N 2.72Å
71	L	58.5	Low	56.5	Low	45 Å²	45	79 Å²	79	24%	0.236	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-72	-8.1	-179	-56.6	177.5	0	0	0	113.3	T69 R73 Q74 A78 F80	T69-L71 HydrophobicContact CG2-CB 4.21Å; T69-L71 PolarHBondContact O-N 2.02Å; T69-L71 WeakPolarHBondContact OG1-CB 3.42Å; T69-L71 WeakPolarHBondContact OG1-CG 3.29Å; T69-L71 PolarHBondContact OG1-N 3.48Å; T69-L71 VanDerWaalsContact OG1-N 3.16Å; L71-R73 PolarHBondContact O-N 3.21Å; L71-Q74 HydrophobicContact CD2-CG 4.45Å; L71-Q74 VanDerWaalsContact CD2-NE2 3.31Å; L71-Q74 WeakPolarHBondContact O-CB 3.24Å; L71-Q74 PolarHBondContact O-N 3.32Å; L71-A78 HydrophobicContact CB-CB 4.37Å; L71-F80 HydrophobicContact CD1-CB 4.43Å; L71-F80 HydrophobicContact CD1-CD2 3.67Å; L71-F80 HydrophobicContact CD1-CE2 4.32Å; L71-F80 HydrophobicContact CD1-CG 4.28Å
72	C	57	Low	56.1	Low	9 Å²	9	77 Å²	77	6%	0.061	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-51.9	-25.9	172.7	-77.7	0	0	0	0	114.4	C46 A47 T69 V70	C46-C72 HydrophobicContact CB-CB 4.36Å; C46-C72 WeakPolarHBondContact CB-SG 3Å; C46-C72 WeakPolarHBondContact SG-CA 3.26Å; C46-C72 WeakPolarHBondContact SG-CB 3.44Å; C46-C72 CovalentContact SG-SG 2.02Å; C46-C72 PolarHBondContact SG-SG 2.99Å; A47-C72 PolarHBondContact N-SG 2.76Å; A47-C72 VanDerWaalsContact N-SG 3.38Å; T69-C72 PolarHBondContact O-N 2.94Å; T69-C72 PolarHBondContact O-SG 3.38Å; T69-C72 VanDerWaalsContact O-SG 3.33Å; V70-C72 PolarHBondContact O-N 2.72Å
73	R	52.2	Low	55.7	Low	107 Å²	107	80.1 Å²	80.1	40%	0.404	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-81.5	-16.1	179.1	-61.2	-172.5	-168.7	160.2	10.9	113.2	L71 P75 I94 E95 D96	L71-R73 PolarHBondContact O-N 3.21Å; R73-P75 WeakPolarHBondContact O-CD 3.45Å; R73-I94 HydrophobicContact CG-CG2 3.92Å; R73-E95 PolarHBondContact NH2-O 3.42Å; R73-D96 IonicContact CZ-OD1 2.78Å; R73-D96 IonicContact NE-OD1 3.74Å; R73-D96 PolarHBondContact NE-OD1 3.12Å; R73-D96 VanDerWaalsContact NE-OD1 3.12Å; R73-D96 IonicContact NH1-OD1 3.2Å; R73-D96 PolarHBondContact NH1-OD1 2.99Å; R73-D96 VanDerWaalsContact NH2-CA 3.28Å; R73-D96 PolarHBondContact NH2-O 3.32Å; R73-D96 VanDerWaalsContact NH2-O 3.11Å; R73-D96 IonicContact NH2-OD1 2.86Å; R73-D96 PolarHBondContact NH2-OD1 2.85Å
74	Q	52.4	Low	55.2	Low	100 Å²	100	76.6 Å²	76.6	47%	0.467	39%	0.388	S	S	.	.			trans	-71.8	120	-174	-68.4	-171.7	-7.2	0	0	110.2	L71 R76	L71-Q74 HydrophobicContact CD2-CG 4.45Å; L71-Q74 VanDerWaalsContact CD2-NE2 3.31Å; L71-Q74 WeakPolarHBondContact O-CB 3.24Å; L71-Q74 PolarHBondContact O-N 3.32Å; Q74-R76 PolarHBondContact O-N 3.2Å
75	P	47.8	Very low	54.5	Low	124 Å²	124	73.9 Å²	73.9	81%	0.805	39%	0.391	S	S	*	.	S	Bend	trans	-73.6	5.3	-170.6	26.8	-33.4	0	0	0	114.8	R73	R73-P75 WeakPolarHBondContact O-CD 3.45Å
76	R	44.8	Very low	53.5	Low	200 Å²	200	74.9 Å²	74.9	76%	0.755	40%	0.398	S	S	*	.	S	Bend	trans	-151	117.9	-172.7	-75.3	-168.5	177.4	174.8	-1.9	111.1	Q74 A78	Q74-R76 PolarHBondContact O-N 3.2Å; R76-A78 VanDerWaalsContact C-N 3.27Å; R76-A78 PolarHBondContact O-N 3.02Å
77	H	46.7	Very low	52.9	Low	159 Å²	159	77.6 Å²	77.6	74%	0.736	42%	0.417	S	S	*	.			trans	47.8	38.2	156.4	-49.5	-73.3	0	0	0	116.1	P79	H77-P79 WeakPolarHBondContact O-CD 3.35Å
78	A	45.3	Very low	51.9	Low	9 Å²	9	75.8 Å²	75.8	7%	0.074	41%	0.413	C	S	.	.			trans	-64.7	109	166.9	0	0	0	0	0	105.4	L71 R76 F80 L81	L71-A78 HydrophobicContact CB-CB 4.37Å; R76-A78 VanDerWaalsContact C-N 3.27Å; R76-A78 PolarHBondContact O-N 3.02Å; A78-F80 HydrophobicContact CB-CD2 4.42Å; A78-F80 PolarHBondContact O-N 3.08Å; A78-L81 HydrophobicContact CB-CD1 4.21Å; A78-L81 HydrophobicContact CB-CG 4.05Å; A78-L81 PolarHBondContact O-N 1.99Å
79	P	48.7	Very low	50.7	Low	114 Å²	114	79.6 Å²	79.6	74%	0.74	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-0.5	-176.7	29.6	-36.3	0	0	0	112.2	H77	H77-P79 WeakPolarHBondContact O-CD 3.35Å
80	F	46.7	Very low	49.8	Very low	124 Å²	124	79.4 Å²	79.4	54%	0.544	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-6.1	-179.2	-48.3	-69.7	0	0	0	113.6	N67 L71 A78 A82	N67-F80 PolarHBondContact ND2-O 2.82Å; N67-F80 VanDerWaalsContact ND2-O 3.08Å; L71-F80 HydrophobicContact CD1-CB 4.43Å; L71-F80 HydrophobicContact CD1-CD2 3.67Å; L71-F80 HydrophobicContact CD1-CE2 4.32Å; L71-F80 HydrophobicContact CD1-CG 4.28Å; A78-F80 HydrophobicContact CB-CD2 4.42Å; A78-F80 PolarHBondContact O-N 3.08Å; F80-A82 PolarHBondContact O-N 3.02Å
81	L	49.8	Very low	49.1	Very low	34 Å²	34	76.9 Å²	76.9	18%	0.178	42%	0.424	C	S	.	.			trans	-80.1	100.5	175.3	-64.1	175.6	0	0	0	109.1	F44 C46 T69 A78 L83	F44-L81 HydrophobicContact CD1-CB 3.89Å; F44-L81 HydrophobicContact CD1-CD1 4.48Å; F44-L81 HydrophobicContact CE1-CB 4.34Å; C46-L81 HydrophobicContact CB-CD2 3.72Å; C46-L81 VanDerWaalsContact SG-CD2 3.5Å; T69-L81 HydrophobicContact CG2-CD2 4.32Å; A78-L81 HydrophobicContact CB-CD1 4.21Å; A78-L81 HydrophobicContact CB-CG 4.05Å; A78-L81 PolarHBondContact O-N 1.99Å; L81-L83 PolarHBondContact O-N 3.48Å
82	A	49.3	Very low	48.7	Very low	38 Å²	38	75.6 Å²	75.6	31%	0.314	42%	0.418	S	S	.	.			trans	-60.6	120.1	174	0	0	0	0	0	109.6	S45 F80	S45-A82 PolarHBondContact N-O 2.92Å; F80-A82 PolarHBondContact O-N 3.02Å
83	L	53.5	Low	48.4	Very low	87 Å²	87	75.3 Å²	75.3	46%	0.455	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.3	166.4	-73.5	163.6	0	0	0	107.5	L42 F44 L81	L42-L83 HydrophobicContact CB-CD2 4.45Å; F44-L83 HydrophobicContact CD1-CD2 3.61Å; F44-L83 HydrophobicContact CD1-CG 4.21Å; F44-L83 HydrophobicContact CD2-CD2 4.34Å; F44-L83 HydrophobicContact CE1-CD2 3.35Å; F44-L83 HydrophobicContact CE1-CG 3.87Å; F44-L83 HydrophobicContact CE2-CD2 4.1Å; F44-L83 HydrophobicContact CG-CD2 4.13Å; F44-L83 HydrophobicContact CZ-CD2 3.62Å; F44-L83 HydrophobicContact CZ-CG 4.48Å; L81-L83 PolarHBondContact O-N 3.48Å
84	D	50	Low	48.4	Very low	66 Å²	66	71.6 Å²	71.6	35%	0.353	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.1	177.2	-152.3	-14.2	0	0	0	110.4	L42 C43 S66 C86	L42-D84 WeakPolarHBondContact CA-O 2.85Å; C43-D84 PolarHBondContact N-O 3.28Å; C43-D84 PolarHBondContact O-N 2.96Å; S66-D84 WeakPolarHBondContact OG-CB 3.1Å; S66-D84 PolarHBondContact OG-OD2 2.92Å; D84-C86 PolarHBondContact O-N 2.02Å
85	S	50.7	Low	48.3	Very low	89 Å²	89	67.2 Å²	67.2	62%	0.622	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	111.7	176.7	60.3	0	0	0	0	109.3
86	C	47.5	Very low	48.2	Very low	29 Å²	29	64.7 Å²	64.7	20%	0.196	36%	0.363	C	S	.	.			trans	-98.9	138.5	177.3	-51.5	0	0	0	0	112.3	R41 D84 G88 C90	R41-C86 WeakPolarHBondContact CB-O 2.94Å; R41-C86 WeakPolarHBondContact CD-O 3.45Å; R41-C86 PolarHBondContact O-N 3.02Å; D84-C86 PolarHBondContact O-N 2.02Å; C86-G88 WeakPolarHBondContact CB-O 3.32Å; C86-G88 PolarHBondContact O-N 3.03Å; C86-C90 HydrophobicContact CB-CB 4.23Å; C86-C90 WeakPolarHBondContact CB-SG 3.22Å; C86-C90 WeakPolarHBondContact SG-CB 3.21Å; C86-C90 CovalentContact SG-SG 1.99Å; C86-C90 PolarHBondContact SG-SG 2.79Å
87	S	49.5	Very low	47.8	Very low	109 Å²	109	61.6 Å²	61.6	76%	0.762	36%	0.362	S	S	*	.	S	Bend	trans	-80	-4	167.5	56	0	0	0	0	113.5	R41	R41-S87 PolarHBondContact NH1-O 3.41Å
88	G	44.8	Very low	47.1	Very low	26 Å²	26	58.9 Å²	58.9	27%	0.268	35%	0.346	S	S	.	.	S	Bend	trans	-152	-165.1	-175	0	0	0	0	0	113	C86 C90	C86-G88 WeakPolarHBondContact CB-O 3.32Å; C86-G88 PolarHBondContact O-N 3.03Å; G88-C90 PolarHBondContact O-N 3.11Å; G88-C90 PolarHBondContact O-SG 3.49Å
89	P	43.3	Very low	46.2	Very low	101 Å²	101	65.7 Å²	65.7	66%	0.656	38%	0.379	S	S	*	.			trans	-64.4	120.2	179.6	26.9	-32.8	0	0	0	110
90	C	45.9	Very low	45.2	Very low	11 Å²	11	66.3 Å²	66.3	7%	0.074	37%	0.37	C	S	.	.			trans	-88	126.6	178.4	-46.6	0	0	0	0	109.3	E5 C43 C86 G88	E5-C90 VanDerWaalsContact O-O 3.13Å; C43-C90 HydrophobicContact CB-CB 3.2Å; C43-C90 WeakPolarHBondContact CB-SG 3.36Å; C43-C90 VanDerWaalsContact SG-CB 3.53Å; C43-C90 PolarHBondContact SG-SG 3.2Å; C86-C90 HydrophobicContact CB-CB 4.23Å; C86-C90 WeakPolarHBondContact CB-SG 3.22Å; C86-C90 WeakPolarHBondContact SG-CB 3.21Å; C86-C90 CovalentContact SG-SG 1.99Å; C86-C90 PolarHBondContact SG-SG 2.79Å; G88-C90 PolarHBondContact O-N 3.11Å; G88-C90 PolarHBondContact O-SG 3.49Å
91	V	47.7	Very low	44.1	Very low	34 Å²	34	63.7 Å²	63.7	21%	0.206	38%	0.378	C	S	.	.			trans	-105.3	110.2	-179.7	-177.5	0	0	0	0	107.8	R7 I62 I93	R7-V91 HydrophobicContact CB-CG1 4.37Å; I62-V91 HydrophobicContact CG2-CB 4.02Å; I62-V91 HydrophobicContact CG2-CG1 4.5Å; I62-V91 HydrophobicContact CG2-CG2 4.39Å; V91-I93 HydrophobicContact CG1-CG1 3.98Å; V91-I93 PolarHBondContact O-N 2.96Å
92	T	50.2	Low	43.1	Very low	17 Å²	17	75.4 Å²	75.4	10%	0.104	43%	0.428	C	S	.	.			trans	-83.3	108.6	166.4	-40.8	0	0	0	0	108	F44 I94	F44-T92 PolarHBondContact O-OG1 3.11Å; T92-I94 HydrophobicContact CG2-CD1 4Å; T92-I94 HydrophobicContact CG2-CG1 3.84Å; T92-I94 PolarHBondContact O-N 3.36Å; T92-I94 VanDerWaalsContact O-N 3.17Å
93	I	50.9	Low	42.8	Very low	3 Å²	3	77.3 Å²	77.3	2%	0.015	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-81.5	98.8	-178.6	-63.3	-178.1	0	0	0	108.7	V9 C46 A47 Y51 W55 I62 V91 E95	V9-I93 HydrophobicContact CB-CG2 4.33Å; V9-I93 HydrophobicContact CG2-CB 3.66Å; V9-I93 HydrophobicContact CG2-CD1 3.54Å; V9-I93 HydrophobicContact CG2-CG1 3.3Å; V9-I93 HydrophobicContact CG2-CG2 3.21Å; C46-I93 PolarHBondContact O-N 2.64Å; A47-I93 WeakPolarHBondContact CA-O 3.2Å; A47-I93 HydrophobicContact CB-CB 4.06Å; A47-I93 HydrophobicContact CB-CG2 4.3Å; Y51-I93 HydrophobicContact CD1-CG2 4.2Å; Y51-I93 HydrophobicContact CD2-CG2 4.35Å; Y51-I93 HydrophobicContact CE1-CG2 4.03Å; Y51-I93 HydrophobicContact CE2-CG2 4.22Å; Y51-I93 HydrophobicContact CG-CG2 4.34Å; W55-I93 HydrophobicContact CH2-CD1 4.41Å; W55-I93 HydrophobicContact CZ3-CD1 3.79Å; I62-I93 HydrophobicContact CD1-CD1 4Å; I62-I93 HydrophobicContact CG2-CD1 4.39Å; V91-I93 HydrophobicContact CG1-CG1 3.98Å; V91-I93 PolarHBondContact O-N 2.96Å; I93-E95 HydrophobicContact CG2-CG 4.45Å
94	I	51.6	Low	42.2	Very low	29 Å²	29	76.8 Å²	76.8	15%	0.149	43%	0.432	C	S	.	.			trans	-114.1	102.2	176.6	-50.8	178.7	0	0	0	106.8	R6 R73 T92	R6-I94 HydrophobicContact CG-CD1 4.41Å; R73-I94 HydrophobicContact CG-CG2 3.92Å; T92-I94 HydrophobicContact CG2-CD1 4Å; T92-I94 HydrophobicContact CG2-CG1 3.84Å; T92-I94 PolarHBondContact O-N 3.36Å; T92-I94 VanDerWaalsContact O-N 3.17Å
95	E	50.4	Low	41.8	Very low	8 Å²	8	77.4 Å²	77.4	4%	0.037	44%	0.437	C	S	.	.			trans	-126.9	138.4	-177.8	-86.5	-115.8	176.7	0	0	109.8	V9 E10 Y51 R73 I93 Y98	V9-E95 HydrophobicContact CB-CG 3.95Å; V9-E95 WeakPolarHBondContact CB-OE1 2.65Å; V9-E95 HydrophobicContact CG2-CG 4.39Å; E10-E95 PolarHBondContact N-OE1 3.31Å; Y51-E95 HydrophobicContact CE2-CB 3.46Å; Y51-E95 VanDerWaalsContact CE2-CB 3.46Å; Y51-E95 HydrophobicContact CE2-CG 4.28Å; Y51-E95 WeakPolarHBondContact OH-CB 3.47Å; Y51-E95 WeakPolarHBondContact OH-CG 3.45Å; Y51-E95 PolarHBondContact OH-OE2 2.62Å; R73-E95 PolarHBondContact NH2-O 3.42Å; I93-E95 HydrophobicContact CG2-CG 4.45Å; E95-Y98 WeakPolarHBondContact OE2-CD2 3.39Å; E95-Y98 WeakPolarHBondContact OE2-CE2 3.15Å
96	D	45.9	Very low	41.2	Very low	72 Å²	72	76.7 Å²	76.7	39%	0.385	43%	0.426	S	S	.	.	S	Bend	trans	-86.2	-48.4	-174.4	-85.7	-65.4	0	0	0	112.6	R73	R73-D96 IonicContact CZ-OD1 2.78Å; R73-D96 IonicContact NE-OD1 3.74Å; R73-D96 PolarHBondContact NE-OD1 3.12Å; R73-D96 VanDerWaalsContact NE-OD1 3.12Å; R73-D96 IonicContact NH1-OD1 3.2Å; R73-D96 PolarHBondContact NH1-OD1 2.99Å; R73-D96 VanDerWaalsContact NH2-CA 3.28Å; R73-D96 PolarHBondContact NH2-O 3.32Å; R73-D96 VanDerWaalsContact NH2-O 3.11Å; R73-D96 IonicContact NH2-OD1 2.86Å; R73-D96 PolarHBondContact NH2-OD1 2.85Å
97	D	34.9	Very low	40.8	Very low	135 Å²	135	79.7 Å²	79.7	72%	0.722	44%	0.44	S	S	*	.			trans	-155.2	97	-171.1	-70.9	-60.1	0	0	0	110.9	I99	D97-I99 PolarHBondContact O-N 2.8Å
98	Y	32.8	Very low	40.3	Very low	102 Å²	102	77.7 Å²	77.7	40%	0.4	42%	0.419	S	S	.	.			trans	-80.1	100	160.3	-107.4	-99.3	0	0	0	108.1	L13 Y51 E95 F100	L13-Y98 WeakPolarHBondContact CD1-OH 3.39Å; Y51-Y98 HydrophobicContact CE1-CD2 4.48Å; Y51-Y98 HydrophobicContact CE1-CE2 4.49Å; Y51-Y98 AromaticContact CZ-CD2 3.9Å; Y51-Y98 WeakPolarHBondContact OH-CD2 3.23Å; Y51-Y98 WeakPolarHBondContact OH-CE2 3.34Å; E95-Y98 WeakPolarHBondContact OE2-CD2 3.39Å; E95-Y98 WeakPolarHBondContact OE2-CE2 3.15Å; Y98-F100 PolarHBondContact O-N 3.01Å
99	I	27.2	Very low	39.9	Very low	151 Å²	151	81.4 Å²	81.4	77%	0.774	43%	0.43	S	S	*	.			trans	-78.8	104.1	163.4	-57.8	173.7	0	0	0	106.2	D97 G101	D97-I99 PolarHBondContact O-N 2.8Å; I99-G101 PolarHBondContact O-N 3.17Å
100	F	27.3	Very low	39.7	Very low	127 Å²	127	79.9 Å²	79.9	56%	0.557	41%	0.412	S	S	*	.			trans	-63.4	106.2	162.4	-77.6	-83.4	0	0	0	107.7	H54 Y98 K102	H54-F100 AromaticContact CD2-CE2 3.87Å; H54-F100 AromaticContact CE1-CE2 3.27Å; H54-F100 WeakPolarHBondContact CE1-CE2 3.44Å; H54-F100 AromaticContact CE1-CZ 3.16Å; H54-F100 WeakPolarHBondContact CE1-CZ 2.96Å; H54-F100 AromaticContact CG-CZ 3.79Å; H54-F100 AromaticContact ND1-CE2 3.78Å; H54-F100 AromaticContact ND1-CZ 3.24Å; H54-F100 WeakPolarHBondContact ND1-CZ 3.31Å; H54-F100 AromaticContact NE2-CE2 3.35Å; H54-F100 WeakPolarHBondContact NE2-CE2 3.11Å; H54-F100 AromaticContact NE2-CZ 3.69Å; Y98-F100 PolarHBondContact O-N 3.01Å; F100-K102 PolarHBondContact O-N 2.84Å
101	G	23.5	Very low	39.2	Very low	69 Å²	69	85.7 Å²	85.7	71%	0.711	44%	0.44	S	S	*	.			trans	-62	123.6	162.7	0	0	0	0	0	108.5	I99	I99-G101 PolarHBondContact O-N 3.17Å
102	K	27.7	Very low	38.4	Very low	281 Å²	281	90.4 Å²	90.4	100%	1.222	46%	0.462	S	S	*	.			trans	-62.6	0	178.7	-129.8	-176.5	-174	-179.5	0	112.3	F100	F100-K102 PolarHBondContact O-N 2.84Å

Retrieved 102 of 102 residues in 78.6 ms (Link to these results)

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