A0A077YXX9_TRITR Loading...

Aconitate hydratase

AlphaFold DB , UniProt , Accession A0A077YXX9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 177 aa.

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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	33	Very low	29	Very low	241 Å²	241	139.2 Å²	139.2	100%	1.187	81%	0.814	S	S	*	*				0	145	0	-72.6	177	168.4	0	0	107.8
2	P	32.7	Very low	28.7	Very low	114 Å²	114	139.3 Å²	139.3	74%	0.74	81%	0.807	S	S	*	*				-107.7	142.2	-61.1	1.7	21.5	0	0	0	109.8
3	S	33.2	Very low	28.3	Very low	100 Å²	100	143.3 Å²	143.3	70%	0.699	81%	0.809	S	S	*	*				52.6	127.1	99.8	78.9	0	0	0	0	115.7
4	N	35.1	Very low	28	Very low	155 Å²	155	137.7 Å²	137.7	83%	0.829	80%	0.799	S	S	*	*			trans	-169.9	84.5	135.6	-88	-14	0	0	0	108.7
5	D	35.4	Very low	27.7	Very low	163 Å²	163	138.7 Å²	138.7	87%	0.872	80%	0.799	S	S	*	*			trans	-63.9	150	148.4	-79.7	-39	0	0	0	108.4
6	P	30.7	Very low	27.4	Very low	109 Å²	109	136.7 Å²	136.7	71%	0.708	79%	0.79	S	S	*	*			trans	-138.4	126.9	136.2	26.7	-7.8	0	0	0	113.8
7	V	24.2	Very low	27.5	Very low	114 Å²	114	138.5 Å²	138.5	69%	0.691	79%	0.794	S	S	*	*				64.1	103.8	126.1	-171.1	0	0	0	0	117.9
8	I	26.3	Very low	27.4	Very low	173 Å²	173	139.4 Å²	139.4	89%	0.887	80%	0.795	S	S	*	*			trans	-136.1	84.8	139.4	-56	-179.5	0	0	0	105.7
9	S	23.6	Very low	27.3	Very low	98 Å²	98	144.2 Å²	144.2	69%	0.685	80%	0.801	S	S	*	*				46.3	114.5	93.5	-77	0	0	0	0	115.3
10	A	23.3	Very low	27.2	Very low	91 Å²	91	143.2 Å²	143.2	75%	0.752	80%	0.801	S	S	*	*			trans	-63.3	158.9	178.4	0	0	0	0	0	114.7
11	L	21.7	Very low	27.1	Very low	173 Å²	173	140.1 Å²	140.1	91%	0.906	79%	0.794	S	S	*	*				-169.5	136.9	120.7	-120.7	114.9	0	0	0	112.7
12	I	25.7	Very low	26.7	Very low	141 Å²	141	136.7 Å²	136.7	72%	0.723	78%	0.781	S	S	*	*			trans	-84.6	168.3	175.9	-68.5	163.9	0	0	0	110.1
13	F	23	Very low	26.4	Very low	191 Å²	191	134.6 Å²	134.6	84%	0.838	78%	0.779	S	S	*	*			trans	110.8	136.8	164.1	-70.1	-84	0	0	0	114.3
14	G	23.5	Very low	26	Very low	65 Å²	65	133.6 Å²	133.6	67%	0.67	79%	0.785	S	S	*	*			cis	-168.2	151.8	8.4	0	0	0	0	0	112.2
15	L	24.4	Very low	25.6	Very low	153 Å²	153	136.9 Å²	136.9	80%	0.801	79%	0.787	S	S	*	*				75	108.5	114.5	-100.4	101.2	0	0	0	119.8
16	T	22.6	Very low	25.1	Very low	106 Å²	106	133.2 Å²	133.2	65%	0.65	77%	0.771	S	S	*	*				66.5	111.7	125.2	-24.6	0	0	0	0	120.7
17	I	29.1	Very low	24.8	Very low	168 Å²	168	133.5 Å²	133.5	86%	0.862	77%	0.767	S	S	*	*			trans	-131	130.1	148.1	-57.7	-178.6	0	0	0	109.1
18	L	26	Very low	25	Very low	155 Å²	155	132.1 Å²	132.1	81%	0.812	76%	0.76	S	S	*	*			trans	-66.6	145.3	-168.6	-69.6	120.6	0	0	0	114.7
19	Y	24.6	Very low	25	Very low	229 Å²	229	127 Å²	127	90%	0.898	74%	0.743	S	S	*	*			trans	-67.4	151.6	171.7	-71.1	-91	0	0	0	113
20	P	25.7	Very low	25.3	Very low	124 Å²	124	131.1 Å²	131.1	81%	0.805	75%	0.752	S	S	*	*				-116.9	141.3	129.4	17.9	-1.5	0	0	0	111.7
21	A	25.5	Very low	25.8	Very low	80 Å²	80	134.1 Å²	134.1	66%	0.661	75%	0.748	S	S	*	*			trans	-71.8	159.2	-174.5	0	0	0	0	0	113.4
22	N	25.4	Very low	26.3	Very low	169 Å²	169	128.4 Å²	128.4	90%	0.904	73%	0.731	S	S	*	*			trans	91.7	85.4	165.8	-53.5	-21.6	0	0	0	116.4
23	G	25.7	Very low	26.8	Very low	69 Å²	69	123.7 Å²	123.7	71%	0.711	71%	0.709	S	S	*	*	S	Bend	trans	152.9	65	164.4	0	0	0	0	0	112.9	Y25	G23-Y25 PolarHBondContact O-N 3.21Å; G23-Y25 VanDerWaalsContact O-N 3.13Å
24	G	24.1	Very low	27.6	Very low	80 Å²	80	117.8 Å²	117.8	83%	0.825	68%	0.683	S	S	*	*			trans	4.6	86.5	174.5	0	0	0	0	0	117.5	V26	G24-V26 PolarHBondContact O-N 2.98Å
25	Y	26.6	Very low	28.3	Very low	223 Å²	223	119.7 Å²	119.7	88%	0.875	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-63.1	125.6	170.7	-112.8	-102.4	0	0	0	110.1	G23	G23-Y25 PolarHBondContact O-N 3.21Å; G23-Y25 VanDerWaalsContact O-N 3.13Å
26	V	25.4	Very low	29.1	Very low	87 Å²	87	113.7 Å²	113.7	53%	0.527	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-78.3	122.9	160.6	-179.8	0	0	0	0	106.3	G24	G24-V26 PolarHBondContact O-N 2.98Å
27	D	24.5	Very low	29.8	Very low	115 Å²	115	114.5 Å²	114.5	62%	0.615	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-48.9	130.1	176	-162.7	-18.9	0	0	0	110.2	A29	D27-A29 HydrophobicContact CB-CB 3.93Å; D27-A29 PolarHBondContact O-N 3.16Å; D27-A29 WeakPolarHBondContact OD1-CB 3.17Å; D27-A29 PolarHBondContact OD1-N 2.03Å; D27-A29 VanDerWaalsContact OD1-N 3.15Å
28	P	28.1	Very low	30.1	Very low	84 Å²	84	112.6 Å²	112.6	55%	0.545	64%	0.636	S	S	.	*			trans	-61.3	6.8	167.3	22.7	-30.4	0	0	0	114	E30 F31	P28-E30 VanDerWaalsContact C-N 3.29Å; P28-E30 PolarHBondContact O-N 3.24Å; P28-F31 HydrophobicContact CB-CD2 4.3Å; P28-F31 HydrophobicContact CB-CE2 3.63Å; P28-F31 VanDerWaalsContact O-CD2 3.25Å; P28-F31 WeakPolarHBondContact O-CD2 2.93Å
29	A	25.9	Very low	30.8	Very low	66 Å²	66	111.3 Å²	111.3	55%	0.545	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.3	80.3	171.4	0	0	0	0	0	113.4	D27	D27-A29 HydrophobicContact CB-CB 3.93Å; D27-A29 PolarHBondContact O-N 3.16Å; D27-A29 WeakPolarHBondContact OD1-CB 3.17Å; D27-A29 PolarHBondContact OD1-N 2.03Å; D27-A29 VanDerWaalsContact OD1-N 3.15Å
30	E	29.8	Very low	31.4	Very low	184 Å²	184	102.9 Å²	102.9	86%	0.86	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn		160.3	64.4	123.1	-85.6	-174.1	169.8	0	0	108.4	P28 G32	P28-E30 VanDerWaalsContact C-N 3.29Å; P28-E30 PolarHBondContact O-N 3.24Å; E30-G32 PolarHBondContact O-N 3.22Å
31	F	35.2	Very low	32.1	Very low	154 Å²	154	97.4 Å²	97.4	68%	0.675	56%	0.563	S	S	*	*			trans	-68.5	75.1	161.1	-68.7	-75.4	0	0	0	109.3	P28	P28-F31 HydrophobicContact CB-CD2 4.3Å; P28-F31 HydrophobicContact CB-CE2 3.63Å; P28-F31 VanDerWaalsContact O-CD2 3.25Å; P28-F31 WeakPolarHBondContact O-CD2 2.93Å
32	G	31.7	Very low	33	Very low	53 Å²	53	94.5 Å²	94.5	55%	0.546	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-88.2	139.4	176.7	0	0	0	0	0	111.9	E30 F34	E30-G32 PolarHBondContact O-N 3.22Å; G32-F34 PolarHBondContact O-N 2.99Å
33	T	35.7	Very low	33.8	Very low	43 Å²	43	86.5 Å²	86.5	26%	0.264	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-76.5	120.3	163.7	-52.3	0	0	0	0	108.3	Y35 V154	T33-Y35 HydrophobicContact CG2-CD1 4.32Å; T33-Y35 HydrophobicContact CG2-CD2 4.17Å; T33-Y35 HydrophobicContact CG2-CE1 3.69Å; T33-Y35 HydrophobicContact CG2-CE2 3.54Å; T33-Y35 WeakPolarHBondContact CG2-OH 3.17Å; T33-V154 HydrophobicContact CG2-CG1 4.38Å; T33-V154 HydrophobicContact CG2-CG2 4.48Å
34	F	40.8	Very low	34.7	Very low	66 Å²	66	83.9 Å²	83.9	29%	0.289	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-103	118.2	179.1	-165.4	-99.6	0	0	0	110.2	G32 L42 L54 S55 C56	G32-F34 PolarHBondContact O-N 2.99Å; F34-L42 HydrophobicContact CD1-CD1 3.22Å; F34-L42 HydrophobicContact CE1-CD1 3.24Å; F34-L42 HydrophobicContact CG-CD1 4.35Å; F34-L42 HydrophobicContact CZ-CD1 4.45Å; F34-L54 HydrophobicContact CB-CB 4.38Å; F34-L54 HydrophobicContact CB-CD1 3.69Å; F34-L54 HydrophobicContact CD1-CB 3.89Å; F34-L54 HydrophobicContact CD2-CB 3.63Å; F34-L54 HydrophobicContact CD2-CD1 4.26Å; F34-L54 HydrophobicContact CE1-CB 3.95Å; F34-L54 HydrophobicContact CE2-CB 3.79Å; F34-L54 HydrophobicContact CG-CB 3.7Å; F34-L54 HydrophobicContact CG-CD1 3.95Å; F34-L54 HydrophobicContact CG-CG 4.46Å; F34-L54 VanDerWaalsContact CZ-C 3.47Å; F34-L54 HydrophobicContact CZ-CB 3.96Å; F34-S55 VanDerWaalsContact CZ-CA 3.43Å; F34-C56 HydrophobicContact CE1-CB 4.28Å; F34-C56 WeakPolarHBondContact CE1-SG 3.41Å; F34-C56 HydrophobicContact CZ-CB 4.45Å; F34-C56 VanDerWaalsContact CZ-SG 3.55Å
35	Y	38.2	Very low	35.3	Very low	106 Å²	106	83.2 Å²	83.2	42%	0.416	44%	0.437	S	S	.	.			trans	-105.3	123.9	-176.8	-61	-83.3	0	0	0	110.2	T33 C56 A152	T33-Y35 HydrophobicContact CG2-CD1 4.32Å; T33-Y35 HydrophobicContact CG2-CD2 4.17Å; T33-Y35 HydrophobicContact CG2-CE1 3.69Å; T33-Y35 HydrophobicContact CG2-CE2 3.54Å; T33-Y35 WeakPolarHBondContact CG2-OH 3.17Å; Y35-C56 PolarHBondContact O-SG 3.02Å; Y35-A152 HydrophobicContact CD1-CB 4.34Å
36	C	40.1	Very low	35.8	Very low	26 Å²	26	74 Å²	74	18%	0.176	41%	0.407	C	S	.	.			trans	-105	143.2	167	-67.2	0	0	0	0	110.9	E40 C56	C36-E40 HydrophobicContact CB-CB 3.94Å; C36-C56 WeakPolarHBondContact CA-SG 3.41Å; C36-C56 HydrophobicContact CB-CB 3.91Å; C36-C56 WeakPolarHBondContact CB-SG 3.5Å; C36-C56 VanDerWaalsContact SG-CA 3.58Å; C36-C56 WeakPolarHBondContact SG-CB 3.31Å; C36-C56 CovalentContact SG-SG 2.05Å; C36-C56 PolarHBondContact SG-SG 2.82Å
37	Q	37.8	Very low	36.2	Very low	123 Å²	123	76.9 Å²	76.9	58%	0.575	41%	0.412	S	S	*	.			trans	-61.7	156	170.1	-62.3	-170.4	-12.1	0	0	110	N39 E40	Q37-N39 PolarHBondContact O-N 2.56Å; Q37-E40 HydrophobicContact CB-CB 4.46Å; Q37-E40 HydrophobicContact CB-CG 3.98Å; Q37-E40 WeakPolarHBondContact CB-OE2 3.33Å; Q37-E40 WeakPolarHBondContact CG-OE2 3.26Å; Q37-E40 PolarHBondContact N-OE2 3.38Å; Q37-E40 WeakPolarHBondContact O-CB 3.17Å; Q37-E40 PolarHBondContact O-N 3.06Å
38	P	36.5	Very low	36.6	Very low	129 Å²	129	71.8 Å²	71.8	84%	0.838	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-22.2	-178.8	-28	35.2	0	0	0	115.4
39	N	39.2	Very low	36.7	Very low	128 Å²	128	71.4 Å²	71.4	68%	0.684	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	14.9	-179.9	-61.4	-31.6	0	0	0	112.8	Q37 P59	Q37-N39 PolarHBondContact O-N 2.56Å; N39-P59 WeakPolarHBondContact O-CD 3.15Å
40	E	38.3	Very low	36.9	Very low	51 Å²	51	69.5 Å²	69.5	24%	0.238	37%	0.371	C	S	.	.			trans	-111.6	154.9	177.8	-70.6	175	154.6	0	0	110.3	C36 Q37 C56 T57 K58	C36-E40 HydrophobicContact CB-CB 3.94Å; Q37-E40 HydrophobicContact CB-CB 4.46Å; Q37-E40 HydrophobicContact CB-CG 3.98Å; Q37-E40 WeakPolarHBondContact CB-OE2 3.33Å; Q37-E40 WeakPolarHBondContact CG-OE2 3.26Å; Q37-E40 PolarHBondContact N-OE2 3.38Å; Q37-E40 WeakPolarHBondContact O-CB 3.17Å; Q37-E40 PolarHBondContact O-N 3.06Å; E40-C56 HydrophobicContact CB-CB 3.87Å; E40-C56 HydrophobicContact CG-CB 4.22Å; E40-C56 WeakPolarHBondContact OE2-CB 3.46Å; E40-T57 CarbonylContact C-O 3.48Å; E40-T57 WeakPolarHBondContact CA-O 3.03Å; E40-K58 HydrophobicContact CG-CG 4.28Å
41	V	40.4	Very low	37	Very low	9 Å²	9	68.1 Å²	68.1	6%	0.055	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.4	-178.7	-155.1	0	0	0	0	107.9	S43 T57 P59 V172 V173 R174	V41-S43 PolarHBondContact O-N 3.04Å; V41-T57 PolarHBondContact N-O 3.34Å; V41-T57 PolarHBondContact O-N 2.81Å; V41-T57 PolarHBondContact O-OG1 2.87Å; V41-P59 HydrophobicContact CG2-CB 4.08Å; V41-P59 HydrophobicContact CG2-CG 4.42Å; V41-V172 HydrophobicContact CB-CG1 3.8Å; V41-V172 HydrophobicContact CG1-CB 4.42Å; V41-V172 HydrophobicContact CG1-CG1 3.15Å; V41-V172 HydrophobicContact CG2-CG1 4.49Å; V41-V173 WeakPolarHBondContact CG1-O 3.46Å; V41-R174 HydrophobicContact CG1-CB 4.25Å
42	L	43.7	Very low	37.3	Very low	19 Å²	19	64.6 Å²	64.6	10%	0.099	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	122.4	175.2	-179.8	62.2	0	0	0	109	F34 V44 L54 L155 V173	F34-L42 HydrophobicContact CD1-CD1 3.22Å; F34-L42 HydrophobicContact CE1-CD1 3.24Å; F34-L42 HydrophobicContact CG-CD1 4.35Å; F34-L42 HydrophobicContact CZ-CD1 4.45Å; L42-V44 HydrophobicContact CD2-CG2 4.38Å; L42-V44 HydrophobicContact CG-CG2 4.16Å; L42-L54 HydrophobicContact CD1-CB 4.28Å; L42-L155 HydrophobicContact CD2-CB 4.18Å; L42-L155 HydrophobicContact CD2-CD1 3.75Å; L42-L155 HydrophobicContact CD2-CD2 4.15Å; L42-L155 HydrophobicContact CD2-CG 4.25Å; L42-V173 PolarHBondContact O-N 3.13Å
43	S	42.2	Very low	37.7	Very low	1 Å²	1	67.8 Å²	67.8	1%	0.007	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.1	174.4	-60	0	0	0	0	109	V41 Y45 S55 T57	V41-S43 PolarHBondContact O-N 3.04Å; S43-Y45 WeakPolarHBondContact CB-OH 2.97Å; S43-S55 PolarHBondContact N-O 3.5Å; S43-S55 PolarHBondContact O-N 3.28Å; S43-T57 PolarHBondContact OG-OG1 3.18Å
44	V	44.1	Very low	38.1	Very low	15 Å²	15	68.4 Å²	68.4	9%	0.091	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	95.2	-171	-178.7	0	0	0	0	108.6	L42 V52 K53 L54 L157 V170	L42-V44 HydrophobicContact CD2-CG2 4.38Å; L42-V44 HydrophobicContact CG-CG2 4.16Å; V44-V52 HydrophobicContact CG1-CG1 3.27Å; V44-K53 CarbonylContact C-O 3.37Å; V44-L54 HydrophobicContact CG1-CD2 4.23Å; V44-L54 HydrophobicContact CG2-CD2 4.02Å; V44-L157 HydrophobicContact CG1-CD1 3.74Å; V44-L157 HydrophobicContact CG2-CD1 4.01Å; V44-V170 CarbonylContact C-O 3.59Å; V44-V170 HydrophobicContact CB-CB 4.49Å; V44-V170 CarbonylContact O-C 3.46Å; V44-V170 WeakPolarHBondContact O-CA 3.36Å; V44-V170 WeakPolarHBondContact O-CB 3.25Å; V44-V170 PolarHBondContact O-N 3.44Å
45	Y	38.3	Very low	38.2	Very low	65 Å²	65	66.9 Å²	66.9	26%	0.255	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127	-178.1	-52.6	-101.2	0	0	0	109	S43 V52 K53 M169	S43-Y45 WeakPolarHBondContact CB-OH 2.97Å; Y45-V52 CarbonylContact O-C 3.59Å; Y45-V52 VanDerWaalsContact O-CA 3.31Å; Y45-V52 WeakPolarHBondContact O-CA 3.41Å; Y45-K53 HydrophobicContact CD2-CD 4.3Å; Y45-K53 HydrophobicContact CD2-CG 4.26Å; Y45-K53 PolarHBondContact N-O 3.03Å; Y45-K53 PolarHBondContact O-N 2.94Å; Y45-M169 HydrophobicContact CD1-CG 3.31Å; Y45-M169 HydrophobicContact CD1-SD 3.93Å; Y45-M169 HydrophobicContact CE1-CG 3.73Å; Y45-M169 HydrophobicContact CE1-SD 3.73Å; Y45-M169 HydrophobicContact CG-CG 4.34Å
46	A	37.1	Very low	38.4	Very low	29 Å²	29	63.2 Å²	63.2	24%	0.24	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	136.8	163.8	0	0	0	0	0	108.1	Y51 T167 E168 V170	A46-Y51 CarbonylContact C-O 3.32Å; A46-Y51 WeakPolarHBondContact CA-O 3.47Å; A46-T167 VanDerWaalsContact O-CG2 3.29Å; A46-T167 WeakPolarHBondContact O-CG2 3.46Å; A46-E168 CarbonylContact C-O 3.54Å; A46-E168 WeakPolarHBondContact CA-O 2.84Å; A46-E168 WeakPolarHBondContact CB-O 2.87Å; A46-E168 PolarHBondContact N-O 3.15Å; A46-E168 VanDerWaalsContact O-O 3.13Å; A46-V170 HydrophobicContact CB-CG2 4.37Å
47	K	32.6	Very low	38.4	Very low	149 Å²	149	64 Å²	64	65%	0.648	34%	0.342	S	S	*	.			trans	-116.6	46.7	175.6	-163.4	-169.6	172	-174.1	0	109.8	Y51	K47-Y51 PolarHBondContact N-O 2.89Å; K47-Y51 WeakPolarHBondContact O-CB 3.5Å
48	G	32.3	Very low	38.1	Very low	7 Å²	7	65.7 Å²	65.7	7%	0.072	35%	0.347	C	S	.	.	S	Bend	trans	97.8	-176.5	175.7	0	0	0	0	0	112.1	G50 Y51 T167	G48-G50 VanDerWaalsContact C-N 3.28Å; G48-G50 PolarHBondContact O-N 2.71Å; G48-Y51 PolarHBondContact O-N 2.77Å; G48-T167 VanDerWaalsContact CA-CB 3.45Å; G48-T167 WeakPolarHBondContact CA-OG1 3.44Å; G48-T167 VanDerWaalsContact N-CB 3.3Å; G48-T167 PolarHBondContact N-OG1 2.81Å; G48-T167 VanDerWaalsContact N-OG1 3.12Å
49	P	31	Very low	37.9	Very low	77 Å²	77	62.5 Å²	62.5	50%	0.5	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	92.5	-176.3	24.6	-33	0	0	0	109.8	R159	P49-R159 PolarHBondContact O-NH2 3.17Å
50	G	30.9	Very low	37.4	Very low	26 Å²	26	62.4 Å²	62.4	27%	0.268	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	113.2	1.5	172.5	0	0	0	0	0	118.5	G48 R159	G48-G50 VanDerWaalsContact C-N 3.28Å; G48-G50 PolarHBondContact O-N 2.71Å; G50-R159 VanDerWaalsContact CA-NE 3.31Å; G50-R159 VanDerWaalsContact CA-NH2 3.31Å; G50-R159 VanDerWaalsContact N-CZ 3.27Å
51	Y	32	Very low	36.7	Very low	154 Å²	154	64.8 Å²	64.8	60%	0.604	36%	0.359	S	S	*	.			trans	-118	136.1	178.4	-60.6	-87.3	0	0	0	109.3	A46 K47 G48	A46-Y51 CarbonylContact C-O 3.32Å; A46-Y51 WeakPolarHBondContact CA-O 3.47Å; K47-Y51 PolarHBondContact N-O 2.89Å; K47-Y51 WeakPolarHBondContact O-CB 3.5Å; G48-Y51 PolarHBondContact O-N 2.77Å
52	V	39.7	Very low	36	Very low	80 Å²	80	67.1 Å²	67.1	49%	0.485	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125.4	171.9	-179.6	0	0	0	0	106.3	V44 Y45 L54 L157	V44-V52 HydrophobicContact CG1-CG1 3.27Å; Y45-V52 CarbonylContact O-C 3.59Å; Y45-V52 VanDerWaalsContact O-CA 3.31Å; Y45-V52 WeakPolarHBondContact O-CA 3.41Å; V52-L54 HydrophobicContact CG1-CD2 4.04Å; V52-L157 HydrophobicContact CG1-CD1 4.45Å
53	K	40.3	Very low	35.1	Very low	121 Å²	121	69.2 Å²	69.2	53%	0.526	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	124.5	170.3	169.2	-174.2	-177.4	-174.5	0	108.1	V44 Y45	V44-K53 CarbonylContact C-O 3.37Å; Y45-K53 HydrophobicContact CD2-CD 4.3Å; Y45-K53 HydrophobicContact CD2-CG 4.26Å; Y45-K53 PolarHBondContact N-O 3.03Å; Y45-K53 PolarHBondContact O-N 2.94Å
54	L	45.5	Very low	34.2	Very low	56 Å²	56	77.3 Å²	77.3	29%	0.293	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	136.7	171	-54.5	176.2	0	0	0	108.7	F34 L42 V44 V52 L157	F34-L54 HydrophobicContact CB-CB 4.38Å; F34-L54 HydrophobicContact CB-CD1 3.69Å; F34-L54 HydrophobicContact CD1-CB 3.89Å; F34-L54 HydrophobicContact CD2-CB 3.63Å; F34-L54 HydrophobicContact CD2-CD1 4.26Å; F34-L54 HydrophobicContact CE1-CB 3.95Å; F34-L54 HydrophobicContact CE2-CB 3.79Å; F34-L54 HydrophobicContact CG-CB 3.7Å; F34-L54 HydrophobicContact CG-CD1 3.95Å; F34-L54 HydrophobicContact CG-CG 4.46Å; F34-L54 VanDerWaalsContact CZ-C 3.47Å; F34-L54 HydrophobicContact CZ-CB 3.96Å; L42-L54 HydrophobicContact CD1-CB 4.28Å; V44-L54 HydrophobicContact CG1-CD2 4.23Å; V44-L54 HydrophobicContact CG2-CD2 4.02Å; V52-L54 HydrophobicContact CG1-CD2 4.04Å; L54-L157 HydrophobicContact CD2-CD1 3.7Å
55	S	42.4	Very low	33.3	Very low	33 Å²	33	83.7 Å²	83.7	23%	0.231	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	139.4	175.5	-165.6	0	0	0	0	110.7	F34 S43	F34-S55 VanDerWaalsContact CZ-CA 3.43Å; S43-S55 PolarHBondContact N-O 3.5Å; S43-S55 PolarHBondContact O-N 3.28Å
56	C	42.1	Very low	32.7	Very low	29 Å²	29	86.7 Å²	86.7	20%	0.196	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	122	168.4	-60.9	0	0	0	0	108.4	F34 Y35 C36 E40	F34-C56 HydrophobicContact CE1-CB 4.28Å; F34-C56 WeakPolarHBondContact CE1-SG 3.41Å; F34-C56 HydrophobicContact CZ-CB 4.45Å; F34-C56 VanDerWaalsContact CZ-SG 3.55Å; Y35-C56 PolarHBondContact O-SG 3.02Å; C36-C56 WeakPolarHBondContact CA-SG 3.41Å; C36-C56 HydrophobicContact CB-CB 3.91Å; C36-C56 WeakPolarHBondContact CB-SG 3.5Å; C36-C56 VanDerWaalsContact SG-CA 3.58Å; C36-C56 WeakPolarHBondContact SG-CB 3.31Å; C36-C56 CovalentContact SG-SG 2.05Å; C36-C56 PolarHBondContact SG-SG 2.82Å; E40-C56 HydrophobicContact CB-CB 3.87Å; E40-C56 HydrophobicContact CG-CB 4.22Å; E40-C56 WeakPolarHBondContact OE2-CB 3.46Å
57	T	39.7	Very low	32.1	Very low	44 Å²	44	92.1 Å²	92.1	27%	0.27	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132	179.7	50.6	0	0	0	0	110	E40 V41 S43	E40-T57 CarbonylContact C-O 3.48Å; E40-T57 WeakPolarHBondContact CA-O 3.03Å; V41-T57 PolarHBondContact N-O 3.34Å; V41-T57 PolarHBondContact O-N 2.81Å; V41-T57 PolarHBondContact O-OG1 2.87Å; S43-T57 PolarHBondContact OG-OG1 3.18Å
58	K	32.2	Very low	31.7	Very low	157 Å²	157	88.5 Å²	88.5	68%	0.683	51%	0.509	S	S	*	.			trans	-63.6	134.5	169.5	-68.3	-178.5	-179.9	177.6	0	109.2	E40 V60	E40-K58 HydrophobicContact CG-CG 4.28Å; K58-V60 PolarHBondContact O-N 2.96Å
59	P	32.9	Very low	31.2	Very low	63 Å²	63	97.1 Å²	97.1	41%	0.409	55%	0.545	S	S	.	.			trans	-61.6	123.9	178.3	24.1	-30.7	0	0	0	109.2	N39 V41 A61	N39-P59 WeakPolarHBondContact O-CD 3.15Å; V41-P59 HydrophobicContact CG2-CB 4.08Å; V41-P59 HydrophobicContact CG2-CG 4.42Å; P59-A61 PolarHBondContact O-N 3.45Å
60	V	28.1	Very low	31.1	Very low	126 Å²	126	99.6 Å²	99.6	76%	0.764	56%	0.561	S	S	*	*			trans	-72.4	111.5	170.3	-176.8	0	0	0	0	107	K58 C62	K58-V60 PolarHBondContact O-N 2.96Å; V60-C62 PolarHBondContact O-N 3.41Å; V60-C62 VanDerWaalsContact O-N 3.16Å
61	A	24.3	Very low	30.8	Very low	101 Å²	101	106.1 Å²	106.1	84%	0.835	59%	0.588	S	S	*	*			trans	-75.1	97.3	169.9	0	0	0	0	0	108.3	P59	P59-A61 PolarHBondContact O-N 3.45Å
62	C	24.8	Very low	30.4	Very low	57 Å²	57	103.8 Å²	103.8	39%	0.385	59%	0.594	S	S	.	*			trans	-82.8	117.1	168.4	-67.3	0	0	0	0	109.1	V60 Y64 C68	V60-C62 PolarHBondContact O-N 3.41Å; V60-C62 VanDerWaalsContact O-N 3.16Å; C62-Y64 VanDerWaalsContact C-N 3.32Å; C62-C68 HydrophobicContact CB-CB 4.49Å; C62-C68 WeakPolarHBondContact CB-SG 3.21Å; C62-C68 WeakPolarHBondContact SG-CB 3.08Å; C62-C68 CovalentContact SG-SG 2.03Å; C62-C68 PolarHBondContact SG-SG 2.9Å
63	G	24.1	Very low	29.7	Very low	63 Å²	63	104.8 Å²	104.8	65%	0.649	61%	0.605	S	S	*	*	S	Bend	trans	-72.7	-22	179.2	0	0	0	0	0	114
64	Y	22.8	Very low	28.9	Very low	172 Å²	172	108.1 Å²	108.1	68%	0.675	62%	0.622	S	S	*	*	S	Bend	trans	-148.1	145.4	175.1	-72	-84.4	0	0	0	110	C62 T66 E67	C62-Y64 VanDerWaalsContact C-N 3.32Å; Y64-T66 PolarHBondContact O-N 3.38Å; Y64-E67 PolarHBondContact O-N 3.46Å
65	V	25.8	Very low	27.9	Very low	148 Å²	148	111.3 Å²	111.3	90%	0.897	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	-18.1	-174.6	-171.6	0	0	0	0	113
66	T	26	Very low	26.9	Very low	129 Å²	129	114.2 Å²	114.2	79%	0.791	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-0.6	-173.8	48.4	0	0	0	0	114.9	Y64	Y64-T66 PolarHBondContact O-N 3.38Å
67	E	24.1	Very low	25.9	Very low	143 Å²	143	118.1 Å²	118.1	67%	0.668	70%	0.698	S	S	*	*			trans	-113.6	0.6	-173.2	-70	-172.2	162.9	0	0	115.2	Y64 K69	Y64-E67 PolarHBondContact O-N 3.46Å; E67-K69 PolarHBondContact O-N 3.15Å
68	C	24.8	Very low	25.2	Very low	73 Å²	73	120.1 Å²	120.1	49%	0.493	71%	0.712	S	S	.	*			trans	-75.2	92.2	170	-44.4	0	0	0	0	108.9	C62 P70	C62-C68 HydrophobicContact CB-CB 4.49Å; C62-C68 WeakPolarHBondContact CB-SG 3.21Å; C62-C68 WeakPolarHBondContact SG-CB 3.08Å; C62-C68 CovalentContact SG-SG 2.03Å; C62-C68 PolarHBondContact SG-SG 2.9Å; C68-P70 VanDerWaalsContact O-CD 3.31Å; C68-P70 WeakPolarHBondContact O-CD 3.1Å
69	K	22.5	Very low	24.8	Very low	187 Å²	187	119.8 Å²	119.8	81%	0.813	71%	0.713	S	S	*	*			trans	-87.2	113.6	168.6	-80	-172.4	177.8	-178.8	0	110	E67 I71	E67-K69 PolarHBondContact O-N 3.15Å; K69-I71 PolarHBondContact O-N 3.19Å
70	P	27.4	Very low	24.5	Very low	130 Å²	130	119 Å²	119	84%	0.844	71%	0.707	S	S	*	*			trans	-69	116.6	164.4	14.8	-5.9	0	0	0	108.2	C68	C68-P70 VanDerWaalsContact O-CD 3.31Å; C68-P70 WeakPolarHBondContact O-CD 3.1Å
71	I	24.4	Very low	24.6	Very low	163 Å²	163	118.1 Å²	118.1	84%	0.836	70%	0.698	S	S	*	*			trans	-86.4	123.2	171.3	-38.8	174.6	0	0	0	105.9	K69	K69-I71 PolarHBondContact O-N 3.19Å
72	S	25.2	Very low	25	Very low	105 Å²	105	116.1 Å²	116.1	73%	0.734	67%	0.671	S	S	*	*	S	Bend	trans	104.8	85.3	166.1	-168.2	0	0	0	0	118.3
73	S	24.6	Very low	25.4	Very low	101 Å²	101	119.6 Å²	119.6	71%	0.706	68%	0.68	S	S	*	*				33.1	106.9	128.2	58	0	0	0	0	122.1
74	E	22.5	Very low	26	Very low	191 Å²	191	118 Å²	118	89%	0.893	66%	0.66	S	S	*	*			trans	40.3	156.5	131.5	-78.8	172.1	176.4	0	0	122.8
75	P	24.8	Very low	26.6	Very low	123 Å²	123	112.5 Å²	112.5	80%	0.799	64%	0.639	S	S	*	*			cis	-134.6	169.2	19.1	35.1	-13.5	0	0	0	117.4
76	A	21.2	Very low	27.3	Very low	93 Å²	93	105.7 Å²	105.7	77%	0.769	60%	0.598	S	S	*	*			trans	-61.9	149.9	178.9	0	0	0	0	0	115.8
77	C	22.6	Very low	27.9	Very low	111 Å²	111	102.1 Å²	102.1	75%	0.75	57%	0.574	S	S	*	*			trans	-168.8	163.2	157.5	-100	0	0	0	0	111.8
78	P	23.3	Very low	28.5	Very low	86 Å²	86	96.8 Å²	96.8	56%	0.558	55%	0.55	S	S	*	.			trans	-103.1	149.9	-137	37.6	-34.8	0	0	0	117
79	Q	25.4	Very low	29.1	Very low	151 Å²	151	98.3 Å²	98.3	71%	0.706	55%	0.545	S	S	*	.			trans	40.4	91.2	142	-61.2	-173.5	-10.6	0	0	118.9
80	V	26.8	Very low	29.7	Very low	47 Å²	47	92 Å²	92	29%	0.285	52%	0.52	S	S	.	.			trans	-154	131.7	149.4	-152.3	0	0	0	0	112.4	H82	V80-H82 WeakPolarHBondContact CB-NE2 3.36Å; V80-H82 PolarHBondContact O-CD2 2.9Å; V80-H82 PolarHBondContact O-N 3.15Å
81	N	30.2	Very low	29.9	Very low	106 Å²	106	88.8 Å²	88.8	57%	0.567	51%	0.505	S	S	*	.			trans	-58.7	101.7	165.2	-72.1	-56.4	0	0	0	110.4
82	H	31.9	Very low	30.6	Very low	60 Å²	60	85.9 Å²	85.9	28%	0.278	49%	0.49	S	S	.	.			trans	-104.7	128.7	178.6	-75.2	-66.2	0	0	0	111.1	V80 I102 E168	V80-H82 WeakPolarHBondContact CB-NE2 3.36Å; V80-H82 PolarHBondContact O-CD2 2.9Å; V80-H82 PolarHBondContact O-N 3.15Å; H82-I102 HydrophobicContact CB-CB 4.22Å; H82-I102 HydrophobicContact CB-CD1 3.43Å; H82-I102 VanDerWaalsContact CB-CD1 3.43Å; H82-I102 HydrophobicContact CB-CG1 4.32Å; H82-I102 WeakPolarHBondContact O-CB 3Å; H82-I102 PolarHBondContact O-N 2.85Å; H82-E168 IonicContact CD2-OE2 3.67Å
83	F	33.8	Very low	31	Very low	129 Å²	129	82.8 Å²	82.8	57%	0.566	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.9	168.9	-66.6	-86.1	0	0	0	108.5	C100 R101	F83-C100 WeakPolarHBondContact CA-O 3.47Å; F83-R101 HydrophobicContact CE1-CG 4.43Å
84	A	36.5	Very low	31.6	Very low	29 Å²	29	86 Å²	86	24%	0.24	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.1	166.3	0	0	0	0	0	109.1	C100	A84-C100 HydrophobicContact CB-CB 4.09Å; A84-C100 PolarHBondContact N-O 3.24Å; A84-C100 PolarHBondContact O-N 2.9Å
85	R	35.3	Very low	32.3	Very low	58 Å²	58	81.4 Å²	81.4	22%	0.219	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.2	173.7	-65.3	-170.8	-173.1	171.9	-3.3	109.5	V98 Y99 F158 L160	R85-V98 WeakPolarHBondContact CA-O 3.47Å; R85-Y99 HydrophobicContact CG-CD1 3.99Å; R85-Y99 HydrophobicContact CG-CE1 3.88Å; R85-F158 PolarHBondContact O-N 2.77Å; R85-F158 VanDerWaalsContact O-O 3.13Å; R85-L160 HydrophobicContact CB-CD1 4.43Å; R85-L160 HydrophobicContact CG-CD1 3.87Å
86	G	39.4	Very low	32.9	Very low	4 Å²	4	78 Å²	78	4%	0.041	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	164.5	176.6	0	0	0	0	0	112.3	A97 V98	G86-A97 CarbonylContact O-C 3.54Å; G86-A97 WeakPolarHBondContact O-CA 3.4Å; G86-V98 PolarHBondContact N-O 2.89Å; G86-V98 PolarHBondContact O-N 2.79Å
87	L	38.4	Very low	33.7	Very low	54 Å²	54	74.7 Å²	74.7	28%	0.283	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125	167	-64.1	177.8	0	0	0	108.6	I95 A97 L155 K156 F158	L87-I95 HydrophobicContact CB-CG2 4.2Å; L87-I95 HydrophobicContact CD2-CG2 3.98Å; L87-I95 HydrophobicContact CG-CG2 4.46Å; L87-A97 HydrophobicContact CD2-CB 4.29Å; L87-L155 WeakPolarHBondContact O-CA 3.17Å; L87-K156 PolarHBondContact N-O 3.36Å; L87-K156 PolarHBondContact O-N 2.05Å; L87-F158 HydrophobicContact CB-CE2 4.24Å; L87-F158 HydrophobicContact CD1-CE2 3.54Å; L87-F158 HydrophobicContact CD1-CZ 3.99Å; L87-F158 HydrophobicContact CG-CD2 4.38Å; L87-F158 HydrophobicContact CG-CE2 3.67Å
88	L	38.7	Very low	34.5	Very low	32 Å²	32	70.9 Å²	70.9	17%	0.168	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	114.8	172.9	172.9	68.6	0	0	0	108.5	L90 I95 N96 V98 L155	L88-L90 HydrophobicContact CD2-CD2 3.61Å; L88-L90 HydrophobicContact CD2-CG 4.44Å; L88-L90 HydrophobicContact CG-CD2 3.87Å; L88-L90 HydrophobicContact CG-CG 4.44Å; L88-I95 CarbonylContact O-C 3.5Å; L88-I95 WeakPolarHBondContact O-CA 3.48Å; L88-N96 HydrophobicContact CB-CB 4.42Å; L88-N96 PolarHBondContact N-O 2.77Å; L88-N96 PolarHBondContact O-N 2.79Å; L88-V98 HydrophobicContact CB-CG2 3.67Å; L88-V98 HydrophobicContact CD2-CG2 4.41Å; L88-L155 HydrophobicContact CD1-CD1 3.34Å; L88-L155 HydrophobicContact CD1-CG 3.93Å
89	R	37.4	Very low	35.2	Very low	105 Å²	105	68.6 Å²	68.6	40%	0.396	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	113.1	168.2	-166.7	175.8	-174.8	-177.7	-0.3	109.3	R94 I95 V154	R89-R94 CarbonylContact C-O 3.59Å; R89-R94 WeakPolarHBondContact CA-O 3.38Å; R89-I95 HydrophobicContact CG-CG1 4.35Å; R89-V154 HydrophobicContact CB-CB 4.45Å; R89-V154 WeakPolarHBondContact CB-O 3.12Å; R89-V154 PolarHBondContact N-O 3.24Å; R89-V154 PolarHBondContact O-N 2.81Å
90	L	34.7	Very low	35.8	Very low	54 Å²	54	62.4 Å²	62.4	28%	0.283	33%	0.327	S	S	.	.			trans	-75.5	158	178.1	-64.3	179.5	0	0	0	111.1	L88 N92 G93 R94	L88-L90 HydrophobicContact CD2-CD2 3.61Å; L88-L90 HydrophobicContact CD2-CG 4.44Å; L88-L90 HydrophobicContact CG-CD2 3.87Å; L88-L90 HydrophobicContact CG-CG 4.44Å; L90-N92 WeakPolarHBondContact CB-OD1 3.49Å; L90-N92 PolarHBondContact O-N 2.83Å; L90-G93 PolarHBondContact O-N 2.99Å; L90-R94 HydrophobicContact CB-CB 4.36Å; L90-R94 HydrophobicContact CD1-CB 4.1Å; L90-R94 PolarHBondContact N-O 2.96Å
91	A	31.1	Very low	36.2	Very low	63 Å²	63	68 Å²	68	52%	0.521	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-17	178.8	0	0	0	0	0	114.1	G93	A91-G93 VanDerWaalsContact C-N 3.33Å
92	N	38.1	Very low	36.5	Very low	101 Å²	101	64.3 Å²	64.3	54%	0.54	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	9.3	174	63.8	6.5	0	0	0	113.3	L90 R94	L90-N92 WeakPolarHBondContact CB-OD1 3.49Å; L90-N92 PolarHBondContact O-N 2.83Å; N92-R94 VanDerWaalsContact C-N 3.29Å; N92-R94 PolarHBondContact O-N 2.94Å; N92-R94 VanDerWaalsContact OD1-CB 3.26Å; N92-R94 WeakPolarHBondContact OD1-CB 3.37Å; N92-R94 WeakPolarHBondContact OD1-CG 3.36Å; N92-R94 PolarHBondContact OD1-N 3.22Å
93	G	35.6	Very low	36.5	Very low	40 Å²	40	63.4 Å²	63.4	41%	0.412	32%	0.323	S	S	.	.	S	Bend	trans	82.2	-6.4	-179.1	0	0	0	0	0	115.3	L90 A91	L90-G93 PolarHBondContact O-N 2.99Å; A91-G93 VanDerWaalsContact C-N 3.33Å
94	R	35.4	Very low	36.5	Very low	168 Å²	168	62 Å²	62	63%	0.634	32%	0.322	S	S	*	.			trans	-67.9	139.7	177	-66.9	-177.6	-178.4	179.7	-1.3	110.9	R89 L90 N92	R89-R94 CarbonylContact C-O 3.59Å; R89-R94 WeakPolarHBondContact CA-O 3.38Å; L90-R94 HydrophobicContact CB-CB 4.36Å; L90-R94 HydrophobicContact CD1-CB 4.1Å; L90-R94 PolarHBondContact N-O 2.96Å; N92-R94 VanDerWaalsContact C-N 3.29Å; N92-R94 PolarHBondContact O-N 2.94Å; N92-R94 VanDerWaalsContact OD1-CB 3.26Å; N92-R94 WeakPolarHBondContact OD1-CB 3.37Å; N92-R94 WeakPolarHBondContact OD1-CG 3.36Å; N92-R94 PolarHBondContact OD1-N 3.22Å
95	I	37.1	Very low	36.4	Very low	96 Å²	96	64.7 Å²	64.7	49%	0.492	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119.3	174.1	-59.1	173.2	0	0	0	107.2	L87 L88 R89	L87-I95 HydrophobicContact CB-CG2 4.2Å; L87-I95 HydrophobicContact CD2-CG2 3.98Å; L87-I95 HydrophobicContact CG-CG2 4.46Å; L88-I95 CarbonylContact O-C 3.5Å; L88-I95 WeakPolarHBondContact O-CA 3.48Å; R89-I95 HydrophobicContact CG-CG1 4.35Å
96	N	37.6	Very low	36.4	Very low	50 Å²	50	68.5 Å²	68.5	27%	0.267	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.9	173.6	-73.1	-5	0	0	0	108.9	L88	L88-N96 HydrophobicContact CB-CB 4.42Å; L88-N96 PolarHBondContact N-O 2.77Å; L88-N96 PolarHBondContact O-N 2.79Å
97	A	38.5	Very low	36.1	Very low	25 Å²	25	74.9 Å²	74.9	21%	0.207	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	133	165.7	0	0	0	0	0	108.9	G86 L87 Y99 V119	G86-A97 CarbonylContact O-C 3.54Å; G86-A97 WeakPolarHBondContact O-CA 3.4Å; L87-A97 HydrophobicContact CD2-CB 4.29Å; A97-Y99 HydrophobicContact CB-CD2 4.45Å; A97-Y99 HydrophobicContact CB-CE2 3.61Å; A97-V119 HydrophobicContact CB-CG2 3.7Å
98	V	40.7	Very low	35.9	Very low	30 Å²	30	79.6 Å²	79.6	18%	0.182	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.1	178.3	-177.7	0	0	0	0	107.6	R85 G86 L88	R85-V98 WeakPolarHBondContact CA-O 3.47Å; G86-V98 PolarHBondContact N-O 2.89Å; G86-V98 PolarHBondContact O-N 2.79Å; L88-V98 HydrophobicContact CB-CG2 3.67Å; L88-V98 HydrophobicContact CD2-CG2 4.41Å
99	Y	37	Very low	35.4	Very low	39 Å²	39	84 Å²	84	15%	0.153	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.9	173.4	-65.9	-104.4	0	0	0	107	R85 A97 V119	R85-Y99 HydrophobicContact CG-CD1 3.99Å; R85-Y99 HydrophobicContact CG-CE1 3.88Å; A97-Y99 HydrophobicContact CB-CD2 4.45Å; A97-Y99 HydrophobicContact CB-CE2 3.61Å; Y99-V119 HydrophobicContact CD2-CG2 4.07Å; Y99-V119 HydrophobicContact CE2-CB 4.37Å; Y99-V119 HydrophobicContact CE2-CG1 4.28Å; Y99-V119 HydrophobicContact CE2-CG2 3.19Å; Y99-V119 WeakPolarHBondContact OH-CG1 3.33Å
100	C	38.1	Very low	35	Very low	20 Å²	20	82.7 Å²	82.7	14%	0.135	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	114.6	168.6	-52.6	0	0	0	0	106.9	F83 A84	F83-C100 WeakPolarHBondContact CA-O 3.47Å; A84-C100 HydrophobicContact CB-CB 4.09Å; A84-C100 PolarHBondContact N-O 3.24Å; A84-C100 PolarHBondContact O-N 2.9Å
101	R	34.3	Very low	34.6	Very low	164 Å²	164	85.2 Å²	85.2	62%	0.619	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	111.7	164.8	-178	-179.1	179.9	171.7	-1.2	107.3	F83 S103	F83-R101 HydrophobicContact CE1-CG 4.43Å; R101-S103 PolarHBondContact O-N 3.46Å
102	I	37.1	Very low	34.6	Very low	30 Å²	30	84.3 Å²	84.3	15%	0.154	45%	0.451	C	S	.	.			trans	-80.1	116.9	172	-65.7	165.3	0	0	0	106.2	H82 E112 V170	H82-I102 HydrophobicContact CB-CB 4.22Å; H82-I102 HydrophobicContact CB-CD1 3.43Å; H82-I102 VanDerWaalsContact CB-CD1 3.43Å; H82-I102 HydrophobicContact CB-CG1 4.32Å; H82-I102 WeakPolarHBondContact O-CB 3Å; H82-I102 PolarHBondContact O-N 2.85Å; I102-E112 WeakPolarHBondContact CA-OE1 3.05Å; I102-E112 VanDerWaalsContact CG2-OE1 3.24Å; I102-E112 WeakPolarHBondContact CG2-OE1 3.45Å; I102-V170 HydrophobicContact CD1-CG1 4.44Å; I102-V170 HydrophobicContact CD1-CG2 4.33Å
103	S	31.8	Very low	34.1	Very low	40 Å²	40	83.8 Å²	83.8	28%	0.28	45%	0.451	S	S	.	.			trans	-108.2	129.5	-172.3	-56.6	0	0	0	0	109.7	R101 E112	R101-S103 PolarHBondContact O-N 3.46Å; S103-E112 PolarHBondContact N-OE1 2.89Å
104	D	33.4	Very low	33.9	Very low	101 Å²	101	85.1 Å²	85.1	54%	0.54	45%	0.453	S	S	.	.			trans	-12	127	-179.7	-131.5	-36.4	0	0	0	118.6	D106	D104-D106 VanDerWaalsContact C-N 3.26Å; D104-D106 PolarHBondContact O-N 3.17Å
105	P	35.4	Very low	33.6	Very low	85 Å²	85	80.9 Å²	80.9	55%	0.552	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	6.9	178.3	29.6	-36.2	0	0	0	116.4	E107	P105-E107 VanDerWaalsContact C-N 3.33Å; P105-E107 PolarHBondContact O-N 3.29Å
106	D	36	Very low	33.4	Very low	138 Å²	138	80.6 Å²	80.6	74%	0.738	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-5.5	-178.3	-84.7	-13.8	0	0	0	114.9	D104	D104-D106 VanDerWaalsContact C-N 3.26Å; D104-D106 PolarHBondContact O-N 3.17Å
107	E	32.2	Very low	33	Very low	138 Å²	138	84.5 Å²	84.5	65%	0.645	46%	0.459	S	S	*	.	S	Bend	trans	-102.1	124.5	171	-70.4	-169.6	172.2	0	0	110.3	P105 I109	P105-E107 VanDerWaalsContact C-N 3.33Å; P105-E107 PolarHBondContact O-N 3.29Å; E107-I109 CarbonylContact O-C 3.01Å; E107-I109 PolarHBondContact O-N 3.49Å
108	T	33.9	Very low	32.4	Very low	153 Å²	153	90.8 Å²	90.8	94%	0.939	49%	0.489	S	S	*	.	S	Bend	trans	-56.1	6.8	174.4	42.8	0	0	0	0	114.8
109	I	28.6	Very low	31.9	Very low	125 Å²	125	91.2 Å²	91.2	64%	0.641	49%	0.492	S	S	*	.	S	Bend	trans	-145.8	92	174.5	-55.2	177.6	0	0	0	107.1	E107 T111	E107-I109 CarbonylContact O-C 3.01Å; E107-I109 PolarHBondContact O-N 3.49Å; I109-T111 HydrophobicContact CG2-CG2 4.23Å; I109-T111 PolarHBondContact O-N 3Å
110	T	28.8	Very low	31.5	Very low	77 Å²	77	97 Å²	97	47%	0.472	51%	0.513	S	S	.	.			trans	-76.5	91.5	174.9	38.8	0	0	0	0	111.3	E112	T110-E112 PolarHBondContact O-N 3.49Å
111	T	27	Very low	31	Very low	107 Å²	107	101.5 Å²	101.5	66%	0.656	54%	0.542	S	S	*	.			trans	-79.3	88	166.9	44.1	0	0	0	0	110.5	I109	I109-T111 HydrophobicContact CG2-CG2 4.23Å; I109-T111 PolarHBondContact O-N 3Å
112	E	30.3	Very low	30.9	Very low	44 Å²	44	99.8 Å²	99.8	21%	0.206	54%	0.541	C	S	.	.			trans	-94.8	117.5	171.7	-63.9	179.8	147.7	0	0	111.6	I102 S103 T110 K171	I102-E112 WeakPolarHBondContact CA-OE1 3.05Å; I102-E112 VanDerWaalsContact CG2-OE1 3.24Å; I102-E112 WeakPolarHBondContact CG2-OE1 3.45Å; S103-E112 PolarHBondContact N-OE1 2.89Å; T110-E112 PolarHBondContact O-N 3.49Å; E112-K171 HydrophobicContact CB-CD 4.39Å; E112-K171 PolarHBondContact O-NZ 2.77Å
113	T	28.5	Very low	30.7	Very low	90 Å²	90	102.3 Å²	102.3	55%	0.552	56%	0.555	S	S	*	*			trans	-87.7	111.8	175.4	10.4	0	0	0	0	110.4	E115	T113-E115 HydrophobicContact CG2-CG 4.31Å
114	C	30.8	Very low	30.5	Very low	67 Å²	67	103.3 Å²	103.3	45%	0.453	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.4	104.7	160.7	-64.2	0	0	0	0	107.6
115	E	28.7	Very low	30.4	Very low	80 Å²	80	103.4 Å²	103.4	37%	0.374	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.8	126.6	178.2	-75.4	179.4	-147.1	0	0	109.3	T113 Y117	T113-E115 HydrophobicContact CG2-CG 4.31Å; E115-Y117 VanDerWaalsContact C-N 3.32Å; E115-Y117 HydrophobicContact CB-CD2 3.89Å; E115-Y117 HydrophobicContact CB-CE1 4.04Å; E115-Y117 HydrophobicContact CB-CE2 3.39Å; E115-Y117 HydrophobicContact CB-CG 4.45Å; E115-Y117 VanDerWaalsContact CB-CZ 3.48Å; E115-Y117 HydrophobicContact CG-CE2 4.45Å; E115-Y117 WeakPolarHBondContact O-CD2 3.14Å; E115-Y117 PolarHBondContact O-N 2.91Å; E115-Y117 WeakPolarHBondContact OE2-CE1 3.24Å; E115-Y117 PolarHBondContact OE2-OH 3.33Å
116	S	32.2	Very low	30	Very low	89 Å²	89	105.2 Å²	105.2	62%	0.622	57%	0.566	S	S	*	*			trans	-71.9	93.3	165.7	59.4	0	0	0	0	107.7
117	Y	28.9	Very low	29.8	Very low	133 Å²	133	105.9 Å²	105.9	52%	0.522	57%	0.57	S	S	.	*			trans	-82.6	139.3	171.3	-65.6	-73.3	0	0	0	110.3	E115 V119	E115-Y117 VanDerWaalsContact C-N 3.32Å; E115-Y117 HydrophobicContact CB-CD2 3.89Å; E115-Y117 HydrophobicContact CB-CE1 4.04Å; E115-Y117 HydrophobicContact CB-CE2 3.39Å; E115-Y117 HydrophobicContact CB-CG 4.45Å; E115-Y117 VanDerWaalsContact CB-CZ 3.48Å; E115-Y117 HydrophobicContact CG-CE2 4.45Å; E115-Y117 WeakPolarHBondContact O-CD2 3.14Å; E115-Y117 PolarHBondContact O-N 2.91Å; E115-Y117 WeakPolarHBondContact OE2-CE1 3.24Å; E115-Y117 PolarHBondContact OE2-OH 3.33Å; Y117-V119 PolarHBondContact O-N 3.24Å
118	N	27.6	Very low	29.6	Very low	156 Å²	156	101.7 Å²	101.7	83%	0.834	55%	0.554	S	S	*	*			trans	-65.5	92.8	156.4	-83.9	-33.5	0	0	0	107.2	R120	N118-R120 PolarHBondContact O-N 2.87Å
119	V	30	Very low	29.2	Very low	39 Å²	39	99.3 Å²	99.3	24%	0.236	54%	0.543	C	S	.	.			trans	-67.8	131	176.2	-159.1	0	0	0	0	108.7	A97 Y99 Y117 D123 F124	A97-V119 HydrophobicContact CB-CG2 3.7Å; Y99-V119 HydrophobicContact CD2-CG2 4.07Å; Y99-V119 HydrophobicContact CE2-CB 4.37Å; Y99-V119 HydrophobicContact CE2-CG1 4.28Å; Y99-V119 HydrophobicContact CE2-CG2 3.19Å; Y99-V119 WeakPolarHBondContact OH-CG1 3.33Å; Y117-V119 PolarHBondContact O-N 3.24Å; V119-D123 HydrophobicContact CG1-CB 3.75Å; V119-F124 HydrophobicContact CG1-CD2 4.41Å; V119-F124 HydrophobicContact CG1-CE2 3.65Å; V119-F124 HydrophobicContact CG1-CZ 3.86Å
120	R	27.5	Very low	29.2	Very low	161 Å²	161	97.7 Å²	97.7	61%	0.608	54%	0.539	S	S	*	.			trans	-99.4	153.1	171	-57.6	178.2	-163.2	175.3	8.2	108.8	N118 H122 D123	N118-R120 PolarHBondContact O-N 2.87Å; R120-H122 WeakPolarHBondContact CB-CE1 3.02Å; R120-H122 WeakPolarHBondContact CB-ND1 3Å; R120-H122 WeakPolarHBondContact CD-CE1 3.42Å; R120-H122 WeakPolarHBondContact CD-NE2 3.37Å; R120-H122 PolarHBondContact O-N 3.21Å; R120-D123 PolarHBondContact N-OD2 2.9Å; R120-D123 WeakPolarHBondContact O-CB 3.25Å; R120-D123 PolarHBondContact O-N 3.21Å
121	P	28.6	Very low	29.2	Very low	115 Å²	115	98.6 Å²	98.6	75%	0.747	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-15.1	-178.7	-28.3	35.3	0	0	0	116.3	F124	P121-F124 WeakPolarHBondContact O-CD2 3.47Å
122	H	31	Very low	29.3	Very low	128 Å²	128	95.4 Å²	95.4	59%	0.593	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-8.7	176.5	49.4	-94.9	0	0	0	114.8	R120 F124	R120-H122 WeakPolarHBondContact CB-CE1 3.02Å; R120-H122 WeakPolarHBondContact CB-ND1 3Å; R120-H122 WeakPolarHBondContact CD-CE1 3.42Å; R120-H122 WeakPolarHBondContact CD-NE2 3.37Å; R120-H122 PolarHBondContact O-N 3.21Å; H122-F124 PolarHBondContact O-N 2.97Å
123	D	32.7	Very low	29.2	Very low	82 Å²	82	101.1 Å²	101.1	44%	0.439	55%	0.549	S	S	.	.	S	Bend	trans	-77.8	-0.8	172.3	-56.4	-38.7	0	0	0	111.5	V119 R120	V119-D123 HydrophobicContact CG1-CB 3.75Å; R120-D123 PolarHBondContact N-OD2 2.9Å; R120-D123 WeakPolarHBondContact O-CB 3.25Å; R120-D123 PolarHBondContact O-N 3.21Å
124	F	28.3	Very low	29.1	Very low	62 Å²	62	99 Å²	99	27%	0.272	54%	0.541	S	S	.	.	S	Bend	trans	-91.5	122.1	175.1	-61.5	-92.7	0	0	0	109.3	V119 P121 H122	V119-F124 HydrophobicContact CG1-CD2 4.41Å; V119-F124 HydrophobicContact CG1-CE2 3.65Å; V119-F124 HydrophobicContact CG1-CZ 3.86Å; P121-F124 WeakPolarHBondContact O-CD2 3.47Å; H122-F124 PolarHBondContact O-N 2.97Å
125	D	31.8	Very low	29.1	Very low	102 Å²	102	101 Å²	101	55%	0.545	54%	0.543	S	S	.	.			trans	-53.3	128	164.8	-158.1	-27.8	0	0	0	108.1	D127 V128	D125-D127 PolarHBondContact O-N 2.72Å; D125-V128 HydrophobicContact CB-CG2 4.24Å; D125-V128 WeakPolarHBondContact O-CB 3.48Å; D125-V128 PolarHBondContact O-N 2.72Å
126	P	26.3	Very low	29.2	Very low	123 Å²	123	98.1 Å²	98.1	80%	0.799	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-19.3	-174.1	17.2	-32.5	0	0	0	115	V128	P126-V128 VanDerWaalsContact C-N 3.34Å
127	D	31.9	Very low	29	Very low	153 Å²	153	99.5 Å²	99.5	82%	0.818	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-8.6	174.7	-86.3	-19.3	0	0	0	114.3	D125 S129	D125-D127 PolarHBondContact O-N 2.72Å; D127-S129 VanDerWaalsContact C-N 3.32Å; D127-S129 PolarHBondContact O-N 2.98Å; D127-S129 VanDerWaalsContact O-N 3.13Å
128	V	28.7	Very low	29	Very low	49 Å²	49	100.9 Å²	100.9	30%	0.297	54%	0.542	S	S	.	.	S	Bend	trans	-85.2	86.2	168.2	-174.2	0	0	0	0	106	D125 P126 V130	D125-V128 HydrophobicContact CB-CG2 4.24Å; D125-V128 WeakPolarHBondContact O-CB 3.48Å; D125-V128 PolarHBondContact O-N 2.72Å; P126-V128 VanDerWaalsContact C-N 3.34Å; V128-V130 PolarHBondContact O-N 2.86Å
129	S	25.5	Very low	29.2	Very low	103 Å²	103	99 Å²	99	72%	0.72	54%	0.536	S	S	*	.			trans	-48.9	101.5	160.1	58.1	0	0	0	0	106	D127 L131	D127-S129 VanDerWaalsContact C-N 3.32Å; D127-S129 PolarHBondContact O-N 2.98Å; D127-S129 VanDerWaalsContact O-N 3.13Å; S129-L131 PolarHBondContact O-N 2.67Å
130	V	28.9	Very low	29.1	Very low	92 Å²	92	99.1 Å²	99.1	56%	0.558	55%	0.545	S	S	*	.			trans	-40.9	109.5	174.3	176.3	0	0	0	0	104.3	V128 S132	V128-V130 PolarHBondContact O-N 2.86Å; V130-S132 WeakPolarHBondContact O-CA 3.31Å; V130-S132 PolarHBondContact O-N 3.26Å
131	L	28.2	Very low	29.2	Very low	96 Å²	96	96.3 Å²	96.3	50%	0.503	55%	0.55	S	S	.	*			trans	-48.7	101.8	163.4	-90	162.3	0	0	0	102.6	S129 E133 E135 F158	S129-L131 PolarHBondContact O-N 2.67Å; L131-E133 PolarHBondContact O-N 2.81Å; L131-E135 HydrophobicContact CD2-CB 4.19Å; L131-F158 HydrophobicContact CD1-CD1 3.74Å; L131-F158 HydrophobicContact CD1-CE1 3.9Å; L131-F158 HydrophobicContact CD1-CG 4.42Å
132	S	28.1	Very low	29.4	Very low	40 Å²	40	99.7 Å²	99.7	28%	0.28	56%	0.556	S	S	.	*			trans	-54.8	139.6	-171.3	54.4	0	0	0	0	104.6	V130 A134 E135 A136	V130-S132 WeakPolarHBondContact O-CA 3.31Å; V130-S132 PolarHBondContact O-N 3.26Å; S132-A134 CarbonylContact O-C 3.57Å; S132-A134 PolarHBondContact O-N 3.49Å; S132-E135 PolarHBondContact N-OE2 3.12Å; S132-E135 VanDerWaalsContact N-OE2 3.12Å; S132-E135 WeakPolarHBondContact O-CA 3.3Å; S132-E135 PolarHBondContact O-N 2.85Å; S132-E135 VanDerWaalsContact OG-CD 3.29Å; S132-E135 VanDerWaalsContact OG-CG 3.25Å; S132-E135 WeakPolarHBondContact OG-CG 2.88Å; S132-E135 PolarHBondContact OG-N 3.08Å; S132-E135 VanDerWaalsContact OG-N 3.11Å; S132-E135 PolarHBondContact OG-OE2 2.67Å; S132-A136 PolarHBondContact O-N 3.45Å; S132-A136 VanDerWaalsContact O-N 3.08Å
133	E	28.7	Very low	29.7	Very low	164 Å²	164	98.2 Å²	98.2	77%	0.766	55%	0.55	S	S	*	.	H	α-helix	trans	-45.5	-30.9	174.1	-86.3	178.4	132.2	0	0	110.7	L131 L137	L131-E133 PolarHBondContact O-N 2.81Å; E133-L137 VanDerWaalsContact O-CB 3.24Å; E133-L137 WeakPolarHBondContact O-CB 3.47Å; E133-L137 VanDerWaalsContact O-CD1 3.31Å; E133-L137 WeakPolarHBondContact O-CD1 3.46Å; E133-L137 VanDerWaalsContact O-CG 3.3Å; E133-L137 WeakPolarHBondContact O-CG 3.46Å; E133-L137 PolarHBondContact O-N 3.12Å; E133-L137 VanDerWaalsContact O-N 3.12Å
134	A	27.2	Very low	29.9	Very low	45 Å²	45	98.9 Å²	98.9	37%	0.372	55%	0.553	S	S	.	*	H	α-helix	trans	-57.8	-49.1	167.1	0	0	0	0	0	115.1	S132 L137 K138	S132-A134 CarbonylContact O-C 3.57Å; S132-A134 PolarHBondContact O-N 3.49Å; A134-L137 PolarHBondContact O-N 3.33Å; A134-K138 HydrophobicContact CB-CD 4.41Å; A134-K138 WeakPolarHBondContact O-CA 3.45Å; A134-K138 WeakPolarHBondContact O-CB 3.31Å; A134-K138 VanDerWaalsContact O-CD 3.3Å; A134-K138 WeakPolarHBondContact O-CD 3.29Å; A134-K138 WeakPolarHBondContact O-CG 3.15Å; A134-K138 PolarHBondContact O-N 3.41Å
135	E	29.7	Very low	29.9	Very low	109 Å²	109	98.5 Å²	98.5	51%	0.509	57%	0.567	S	S	.	*	H	α-helix	trans	-71.2	-32.2	177.8	-75.9	161.1	146.2	0	0	113.9	L131 S132 L137	L131-E135 HydrophobicContact CD2-CB 4.19Å; S132-E135 PolarHBondContact N-OE2 3.12Å; S132-E135 VanDerWaalsContact N-OE2 3.12Å; S132-E135 WeakPolarHBondContact O-CA 3.3Å; S132-E135 PolarHBondContact O-N 2.85Å; S132-E135 VanDerWaalsContact OG-CD 3.29Å; S132-E135 VanDerWaalsContact OG-CG 3.25Å; S132-E135 WeakPolarHBondContact OG-CG 2.88Å; S132-E135 PolarHBondContact OG-N 3.08Å; S132-E135 VanDerWaalsContact OG-N 3.11Å; S132-E135 PolarHBondContact OG-OE2 2.67Å; E135-L137 VanDerWaalsContact C-N 3.29Å; E135-L137 PolarHBondContact O-N 2.99Å
136	A	32.3	Very low	29.9	Very low	20 Å²	20	99.7 Å²	99.7	17%	0.165	57%	0.573	C	S	.	*	H	α-helix	trans	-72.7	-22.9	174.6	0	0	0	0	0	113.2	S132	S132-A136 PolarHBondContact O-N 3.45Å; S132-A136 VanDerWaalsContact O-N 3.08Å
137	L	28	Very low	30.1	Very low	118 Å²	118	95.1 Å²	95.1	62%	0.618	54%	0.543	S	S	*	.	H	α-helix	trans	-102.4	-17.6	177.7	-71.2	163.4	0	0	0	113.7	E133 A134 E135 T139 G140	E133-L137 VanDerWaalsContact O-CB 3.24Å; E133-L137 WeakPolarHBondContact O-CB 3.47Å; E133-L137 VanDerWaalsContact O-CD1 3.31Å; E133-L137 WeakPolarHBondContact O-CD1 3.46Å; E133-L137 VanDerWaalsContact O-CG 3.3Å; E133-L137 WeakPolarHBondContact O-CG 3.46Å; E133-L137 PolarHBondContact O-N 3.12Å; E133-L137 VanDerWaalsContact O-N 3.12Å; A134-L137 PolarHBondContact O-N 3.33Å; E135-L137 VanDerWaalsContact C-N 3.29Å; E135-L137 PolarHBondContact O-N 2.99Å; L137-T139 VanDerWaalsContact C-N 3.29Å; L137-T139 PolarHBondContact O-N 3.48Å; L137-G140 PolarHBondContact O-N 2.72Å
138	K	28.8	Very low	29.9	Very low	161 Å²	161	93.9 Å²	93.9	70%	0.7	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-10.7	-177.4	-91.2	167.9	-177.7	179.1	0	115.3	A134 G140	A134-K138 HydrophobicContact CB-CD 4.41Å; A134-K138 WeakPolarHBondContact O-CA 3.45Å; A134-K138 WeakPolarHBondContact O-CB 3.31Å; A134-K138 VanDerWaalsContact O-CD 3.3Å; A134-K138 WeakPolarHBondContact O-CD 3.29Å; A134-K138 WeakPolarHBondContact O-CG 3.15Å; A134-K138 PolarHBondContact O-N 3.41Å; K138-G140 PolarHBondContact O-N 3.26Å
139	T	30.4	Very low	29.9	Very low	116 Å²	116	100.6 Å²	100.6	71%	0.712	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	8.5	165.1	46.7	0	0	0	0	112.6	L137	L137-T139 VanDerWaalsContact C-N 3.29Å; L137-T139 PolarHBondContact O-N 3.48Å
140	G	27.5	Very low	30.1	Very low	42 Å²	42	97.5 Å²	97.5	43%	0.433	54%	0.539	S	S	.	.			trans	-104.9	113.4	175.8	0	0	0	0	0	113.2	L137 K138	L137-G140 PolarHBondContact O-N 2.72Å; K138-G140 PolarHBondContact O-N 3.26Å
141	S	29.7	Very low	30.3	Very low	102 Å²	102	99.3 Å²	99.3	71%	0.713	55%	0.55	S	S	*	*	S	Bend	trans	-144	-15.5	138.3	76.4	0	0	0	0	113.7
142	E	33.5	Very low	30.5	Very low	186 Å²	186	95.7 Å²	95.7	87%	0.869	53%	0.534	S	S	*	.	S	Bend	trans	-102.8	-10.1	-177.3	-66.2	-172.3	149.8	0	0	115.8
143	Q	37.9	Very low	30.6	Very low	97 Å²	97	96.4 Å²	96.4	45%	0.453	54%	0.538	S	S	.	.	S	Bend	trans	-93.3	-0.1	177.6	-69.2	-170.8	1.2	0	0	114.5	G145 D146 V147	Q143-G145 PolarHBondContact O-N 2.79Å; Q143-D146 PolarHBondContact O-N 2.82Å; Q143-V147 HydrophobicContact CB-CG2 4.32Å; Q143-V147 WeakPolarHBondContact O-CB 3.24Å; Q143-V147 VanDerWaalsContact O-CG2 3.25Å; Q143-V147 WeakPolarHBondContact O-CG2 3.3Å; Q143-V147 PolarHBondContact O-N 3.12Å
144	N	35.6	Very low	30.8	Very low	96 Å²	96	89.6 Å²	89.6	51%	0.513	51%	0.507	S	S	.	.	H	α-helix	trans	-68.1	-16.1	-177.9	-83.8	-18.2	0	0	0	113.3	I148	N144-I148 HydrophobicContact CB-CD1 4.3Å; N144-I148 WeakPolarHBondContact O-CB 2.97Å; N144-I148 WeakPolarHBondContact O-CD1 3.47Å; N144-I148 WeakPolarHBondContact O-CG1 3.05Å
145	G	30.2	Very low	31.2	Very low	55 Å²	55	89.3 Å²	89.3	57%	0.567	50%	0.499	S	S	*	.	H	α-helix	trans	-75.3	-45.5	175.8	0	0	0	0	0	114.1	Q143	Q143-G145 PolarHBondContact O-N 2.79Å
146	D	29.9	Very low	31.5	Very low	126 Å²	126	88.3 Å²	88.3	67%	0.674	49%	0.494	S	S	*	.	H	α-helix	trans	-85.3	-28.5	-174.3	-80.2	-25.1	0	0	0	113.2	Q143	Q143-D146 PolarHBondContact O-N 2.82Å
147	V	30.3	Very low	31.8	Very low	27 Å²	27	90.4 Å²	90.4	16%	0.164	50%	0.501	C	S	.	.	H	α-helix	trans	-77.4	-22.6	-179	177.8	0	0	0	0	112.4	Q143	Q143-V147 HydrophobicContact CB-CG2 4.32Å; Q143-V147 WeakPolarHBondContact O-CB 3.24Å; Q143-V147 VanDerWaalsContact O-CG2 3.25Å; Q143-V147 WeakPolarHBondContact O-CG2 3.3Å; Q143-V147 PolarHBondContact O-N 3.12Å
148	I	28.5	Very low	32.1	Very low	127 Å²	127	87.9 Å²	87.9	65%	0.651	49%	0.486	S	S	*	.	S	Bend	trans	-84.4	-14.5	-176	-66	178.8	0	0	0	112.8	N144	N144-I148 HydrophobicContact CB-CD1 4.3Å; N144-I148 WeakPolarHBondContact O-CB 2.97Å; N144-I148 WeakPolarHBondContact O-CD1 3.47Å; N144-I148 WeakPolarHBondContact O-CG1 3.05Å
149	K	28.7	Very low	32.2	Very low	190 Å²	190	85.1 Å²	85.1	83%	0.826	47%	0.471	S	S	*	.	S	Bend	trans	-109.2	-4.9	178.2	-71.8	-178.5	179.8	176.1	0	114.7	T151	K149-T151 PolarHBondContact O-N 2.84Å
150	S	29	Very low	32.1	Very low	39 Å²	39	83.7 Å²	83.7	27%	0.273	46%	0.459	S	S	.	.			trans	-79.5	120.7	-177.3	-175	0	0	0	0	111.4	A152	S150-A152 PolarHBondContact O-N 3.13Å; S150-A152 WeakPolarHBondContact OG-CB 3.25Å; S150-A152 PolarHBondContact OG-N 2.81Å; S150-A152 VanDerWaalsContact OG-N 3.15Å; S150-A152 PolarHBondContact OG-O 3.11Å
151	T	35	Very low	32.2	Very low	129 Å²	129	88.5 Å²	88.5	79%	0.791	47%	0.473	S	S	*	.			trans	-75.2	-2.6	167.3	50.1	0	0	0	0	112.5	K149	K149-T151 PolarHBondContact O-N 2.84Å
152	A	31.5	Very low	32.1	Very low	21 Å²	21	90.9 Å²	90.9	17%	0.174	47%	0.471	C	S	.	.	S	Bend	trans	-93.2	138.8	179.4	0	0	0	0	0	111.4	Y35 S150	Y35-A152 HydrophobicContact CD1-CB 4.34Å; S150-A152 PolarHBondContact O-N 3.13Å; S150-A152 WeakPolarHBondContact OG-CB 3.25Å; S150-A152 PolarHBondContact OG-N 2.81Å; S150-A152 VanDerWaalsContact OG-N 3.15Å; S150-A152 PolarHBondContact OG-O 3.11Å
153	P	30.8	Very low	31.8	Very low	54 Å²	54	88.3 Å²	88.3	35%	0.351	47%	0.473	S	S	.	.			trans	-64.7	145	175.9	26.9	-32.8	0	0	0	111.5
154	V	32	Very low	31.6	Very low	21 Å²	21	86.9 Å²	86.9	13%	0.127	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.3	177.9	-179.8	0	0	0	0	108.7	T33 R89	T33-V154 HydrophobicContact CG2-CG1 4.38Å; T33-V154 HydrophobicContact CG2-CG2 4.48Å; R89-V154 HydrophobicContact CB-CB 4.45Å; R89-V154 WeakPolarHBondContact CB-O 3.12Å; R89-V154 PolarHBondContact N-O 3.24Å; R89-V154 PolarHBondContact O-N 2.81Å
155	L	36.4	Very low	31.3	Very low	39 Å²	39	85.5 Å²	85.5	20%	0.204	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.3	170.1	-102.4	103.4	0	0	0	110.4	L42 L87 L88 L157	L42-L155 HydrophobicContact CD2-CB 4.18Å; L42-L155 HydrophobicContact CD2-CD1 3.75Å; L42-L155 HydrophobicContact CD2-CD2 4.15Å; L42-L155 HydrophobicContact CD2-CG 4.25Å; L87-L155 WeakPolarHBondContact O-CA 3.17Å; L88-L155 HydrophobicContact CD1-CD1 3.34Å; L88-L155 HydrophobicContact CD1-CG 3.93Å; L155-L157 HydrophobicContact CD2-CD2 4.29Å; L155-L157 HydrophobicContact CD2-CG 4.35Å
156	K	35.6	Very low	31.3	Very low	89 Å²	89	85.5 Å²	85.5	39%	0.387	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115	163.5	-71.8	-171.6	177.2	-172.5	0	108.4	L87 F158	L87-K156 PolarHBondContact N-O 3.36Å; L87-K156 PolarHBondContact O-N 2.05Å; K156-F158 HydrophobicContact CB-CE2 4.14Å; K156-F158 HydrophobicContact CB-CZ 4.41Å
157	L	37.4	Very low	31.3	Very low	63 Å²	63	83.3 Å²	83.3	33%	0.33	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	136.4	176.9	-71.8	159.2	0	0	0	109.6	V44 V52 L54 L155	V44-L157 HydrophobicContact CG1-CD1 3.74Å; V44-L157 HydrophobicContact CG2-CD1 4.01Å; V52-L157 HydrophobicContact CG1-CD1 4.45Å; L54-L157 HydrophobicContact CD2-CD1 3.7Å; L155-L157 HydrophobicContact CD2-CD2 4.29Å; L155-L157 HydrophobicContact CD2-CG 4.35Å
158	F	35.8	Very low	31.2	Very low	66 Å²	66	85.3 Å²	85.3	29%	0.289	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129.6	175.9	-62	-91.9	0	0	0	108.9	R85 L87 L131 K156	R85-F158 PolarHBondContact O-N 2.77Å; R85-F158 VanDerWaalsContact O-O 3.13Å; L87-F158 HydrophobicContact CB-CE2 4.24Å; L87-F158 HydrophobicContact CD1-CE2 3.54Å; L87-F158 HydrophobicContact CD1-CZ 3.99Å; L87-F158 HydrophobicContact CG-CD2 4.38Å; L87-F158 HydrophobicContact CG-CE2 3.67Å; L131-F158 HydrophobicContact CD1-CD1 3.74Å; L131-F158 HydrophobicContact CD1-CE1 3.9Å; L131-F158 HydrophobicContact CD1-CG 4.42Å; K156-F158 HydrophobicContact CB-CE2 4.14Å; K156-F158 HydrophobicContact CB-CZ 4.41Å
159	R	30.9	Very low	31.1	Very low	103 Å²	103	86.5 Å²	86.5	39%	0.389	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-77.5	124.7	173.5	-176.6	-172.2	177.6	-173.4	2.9	109.4	P49 G50	P49-R159 PolarHBondContact O-NH2 3.17Å; G50-R159 VanDerWaalsContact CA-NE 3.31Å; G50-R159 VanDerWaalsContact CA-NH2 3.31Å; G50-R159 VanDerWaalsContact N-CZ 3.27Å
160	L	27.5	Very low	31.1	Very low	86 Å²	86	78.8 Å²	78.8	45%	0.45	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-87.6	122.2	160.2	-68.4	170.2	0	0	0	108.4	R85 K162	R85-L160 HydrophobicContact CB-CD1 4.43Å; R85-L160 HydrophobicContact CG-CD1 3.87Å; L160-K162 PolarHBondContact O-N 3.2Å
161	L	29.7	Very low	31.2	Very low	142 Å²	142	81.3 Å²	81.3	74%	0.743	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-75.5	120.5	176.6	-79.5	155.5	0	0	0	109.7
162	K	28	Very low	31	Very low	152 Å²	152	79 Å²	79	66%	0.661	44%	0.438	S	S	*	.			trans	-127.5	144.1	162.8	-152.5	179.4	-177.8	-176.1	0	109.1	L160 S164	L160-K162 PolarHBondContact O-N 3.2Å; K162-S164 VanDerWaalsContact C-N 3.35Å; K162-S164 PolarHBondContact O-N 2.92Å; K162-S164 VanDerWaalsContact O-N 3.17Å
163	S	28	Very low	30.8	Very low	132 Å²	132	81 Å²	81	92%	0.923	45%	0.448	S	S	*	.	S	Bend	trans	-81	21	-159.3	57.3	0	0	0	0	117.4
164	S	33	Very low	30.6	Very low	68 Å²	68	87.8 Å²	87.8	48%	0.476	47%	0.466	S	S	.	.			trans	-131.7	127.7	-173.5	57.1	0	0	0	0	112.3	K162	K162-S164 VanDerWaalsContact C-N 3.35Å; K162-S164 PolarHBondContact O-N 2.92Å; K162-S164 VanDerWaalsContact O-N 3.17Å
165	G	29.2	Very low	30.4	Very low	66 Å²	66	95.1 Å²	95.1	68%	0.68	49%	0.492	S	S	*	.			trans	-86.2	122	-170.2	0	0	0	0	0	115.2
166	S	30.2	Very low	29.9	Very low	55 Å²	55	99.4 Å²	99.4	39%	0.385	52%	0.52	S	S	.	.			trans	-171.1	169.2	152.6	54.9	0	0	0	0	109.2
167	T	28.9	Very low	29.5	Very low	81 Å²	81	107.6 Å²	107.6	50%	0.497	56%	0.56	S	S	.	*			trans	-118	123.8	-171	-54	0	0	0	0	110.1	A46 G48	A46-T167 VanDerWaalsContact O-CG2 3.29Å; A46-T167 WeakPolarHBondContact O-CG2 3.46Å; G48-T167 VanDerWaalsContact CA-CB 3.45Å; G48-T167 WeakPolarHBondContact CA-OG1 3.44Å; G48-T167 VanDerWaalsContact N-CB 3.3Å; G48-T167 PolarHBondContact N-OG1 2.81Å; G48-T167 VanDerWaalsContact N-OG1 3.12Å
168	E	29.1	Very low	29.1	Very low	69 Å²	69	109.9 Å²	109.9	32%	0.322	57%	0.571	S	S	.	*			trans	-137.6	154.3	179.9	-83.5	-171.8	152.7	0	0	114.8	A46 H82	A46-E168 CarbonylContact C-O 3.54Å; A46-E168 WeakPolarHBondContact CA-O 2.84Å; A46-E168 WeakPolarHBondContact CB-O 2.87Å; A46-E168 PolarHBondContact N-O 3.15Å; A46-E168 VanDerWaalsContact O-O 3.13Å; H82-E168 IonicContact CD2-OE2 3.67Å
169	M	26.7	Very low	28.7	Very low	151 Å²	151	112.2 Å²	112.2	74%	0.744	59%	0.586	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73	132.6	179.7	-136	-177	-79.3	0	0	111.8	Y45	Y45-M169 HydrophobicContact CD1-CG 3.31Å; Y45-M169 HydrophobicContact CD1-SD 3.93Å; Y45-M169 HydrophobicContact CE1-CG 3.73Å; Y45-M169 HydrophobicContact CE1-SD 3.73Å; Y45-M169 HydrophobicContact CG-CG 4.34Å
170	V	27.8	Very low	28.6	Very low	29 Å²	29	112.7 Å²	112.7	18%	0.176	60%	0.597	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.7	144.4	169.6	-163.9	0	0	0	0	109.5	V44 A46 I102	V44-V170 CarbonylContact C-O 3.59Å; V44-V170 HydrophobicContact CB-CB 4.49Å; V44-V170 CarbonylContact O-C 3.46Å; V44-V170 WeakPolarHBondContact O-CA 3.36Å; V44-V170 WeakPolarHBondContact O-CB 3.25Å; V44-V170 PolarHBondContact O-N 3.44Å; A46-V170 HydrophobicContact CB-CG2 4.37Å; I102-V170 HydrophobicContact CD1-CG1 4.44Å; I102-V170 HydrophobicContact CD1-CG2 4.33Å
171	K	32.1	Very low	28.7	Very low	91 Å²	91	114.2 Å²	114.2	40%	0.396	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.5	172.4	-157.5	-162.2	173.1	177.3	178.5	0	115	E112	E112-K171 HydrophobicContact CB-CD 4.39Å; E112-K171 PolarHBondContact O-NZ 2.77Å
172	V	29.8	Very low	28.6	Very low	82 Å²	82	112.5 Å²	112.5	50%	0.497	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.4	126.4	-174.2	175	0	0	0	0	112.7	V41	V41-V172 HydrophobicContact CB-CG1 3.8Å; V41-V172 HydrophobicContact CG1-CB 4.42Å; V41-V172 HydrophobicContact CG1-CG1 3.15Å; V41-V172 HydrophobicContact CG2-CG1 4.49Å
173	V	28.4	Very low	28.6	Very low	62 Å²	62	109.9 Å²	109.9	38%	0.376	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103	105.4	177.9	-176.5	0	0	0	0	112.2	V41 L42	V41-V173 WeakPolarHBondContact CG1-O 3.46Å; L42-V173 PolarHBondContact O-N 3.13Å
174	R	26.3	Very low	28.7	Very low	197 Å²	197	108.3 Å²	108.3	74%	0.743	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-92.5	131.5	175.9	-160	176.9	-173.7	177.1	1.8	110.9	V41	V41-R174 HydrophobicContact CG1-CB 4.25Å
175	R	26.8	Very low	28.3	Very low	174 Å²	174	111.4 Å²	111.4	66%	0.657	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-75.4	125.4	172.6	-174.9	177.1	177.8	-179.6	-0.4	110.1
176	T	25.7	Very low	28.3	Very low	130 Å²	130	115.2 Å²	115.2	80%	0.798	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-83.7	140.4	159.9	36.8	0	0	0	0	109
177	Q	27.4	Very low	28.1	Very low	261 Å²	261	120.6 Å²	120.6	100%	1.22	58%	0.584	S	S	*	*			trans	-60.5	0	-179.9	-70.8	-175.1	0.2	0	0	111.8

Retrieved 177 of 177 residues in 77.7 ms (Link to these results)

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