A0A077ZK26_TRITR Loading...

Zf-CDGSH domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZK26, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 147 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	43.7	Very low	45.1	Very low	247 Å²	247	171.5 Å²	171.5	100%	1.217	86%	0.861	S	S	*	*				0	92.6	0	-64.5	174.7	-173	0	0	108.3
2	R	41.7	Very low	44.5	Very low	248 Å²	248	164.9 Å²	164.9	94%	0.936	85%	0.852	S	S	*	*			trans	-104.6	127.3	-175.2	-73.3	-176.1	178.4	-169.1	-0	109.4
3	R	44.7	Very low	44.4	Very low	249 Å²	249	168.7 Å²	168.7	94%	0.94	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-60.2	128.3	-178.6	-68.9	178.4	-172.7	-167	1.1	110.7
4	L	46.7	Very low	44.2	Very low	166 Å²	166	166.8 Å²	166.8	87%	0.869	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-70.6	124.3	165.1	-75.4	158.9	0	0	0	108.6
5	P	50.3	Low	43.8	Very low	120 Å²	120	170.3 Å²	170.3	78%	0.779	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-71.7	139.8	168.2	0.4	15.6	0	0	0	109.1	L7	P5-L7 PolarHBondContact O-N 2.75Å
6	S	50	Low	43.7	Very low	108 Å²	108	166 Å²	166	76%	0.755	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-48.2	133.2	177.2	54.1	0	0	0	0	112.2	C8	S6-C8 PolarHBondContact O-N 3.47Å
7	L	43	Very low	43.5	Very low	168 Å²	168	160.6 Å²	160.6	88%	0.88	83%	0.831	S	S	*	*			trans	-58.5	77	170.8	-145.7	93.6	0	0	0	110	P5 L9	P5-L7 PolarHBondContact O-N 2.75Å; L7-L9 PolarHBondContact O-N 2.8Å; L7-L9 VanDerWaalsContact O-N 3.13Å
8	C	46.8	Very low	43.3	Very low	112 Å²	112	166.2 Å²	166.2	76%	0.757	84%	0.84	S	S	*	*			trans	-72.2	106	168.2	-152.8	0	0	0	0	105.7	S6 Q10	S6-C8 PolarHBondContact O-N 3.47Å; C8-Q10 PolarHBondContact O-N 3.13Å
9	L	43.4	Very low	43.8	Very low	142 Å²	142	159.4 Å²	159.4	74%	0.743	82%	0.815	S	S	*	*			trans	-46.1	99.8	176.5	-86	115.7	0	0	0	110	L7 I11	L7-L9 PolarHBondContact O-N 2.8Å; L7-L9 VanDerWaalsContact O-N 3.13Å; L9-I11 HydrophobicContact CB-CG1 4.41Å; L9-I11 PolarHBondContact O-N 2.88Å
10	Q	41.1	Very low	44.2	Very low	187 Å²	187	157.8 Å²	157.8	87%	0.874	82%	0.816	S	S	*	*			trans	-65.8	87.1	157.3	-89.5	163.3	-69.2	0	0	106.6	C8 A12	C8-Q10 PolarHBondContact O-N 3.13Å; Q10-A12 PolarHBondContact O-N 2.82Å
11	I	44.8	Very low	44.6	Very low	140 Å²	140	156.2 Å²	156.2	72%	0.718	81%	0.809	S	S	*	*			trans	-68.8	75.3	156.8	-58.2	178.1	0	0	0	106.2	L9 R13	L9-I11 HydrophobicContact CB-CG1 4.41Å; L9-I11 PolarHBondContact O-N 2.88Å; I11-R13 HydrophobicContact CG2-CB 4.29Å; I11-R13 PolarHBondContact O-N 3.08Å; I11-R13 VanDerWaalsContact O-N 3.08Å
12	A	38.4	Very low	45	Very low	92 Å²	92	150.1 Å²	150.1	76%	0.76	79%	0.786	S	S	*	*			trans	-72.3	85.7	159.2	0	0	0	0	0	106.9	Q10	Q10-A12 PolarHBondContact O-N 2.82Å
13	R	42.6	Very low	45.3	Very low	214 Å²	214	140.4 Å²	140.4	81%	0.808	76%	0.763	S	S	*	*			trans	-132.2	96	163.2	-93.8	-177.3	169.6	170.3	-2.7	109.2	I11	I11-R13 HydrophobicContact CG2-CB 4.29Å; I11-R13 PolarHBondContact O-N 3.08Å; I11-R13 VanDerWaalsContact O-N 3.08Å
14	L	41.8	Very low	45.4	Very low	142 Å²	142	136 Å²	136	74%	0.743	75%	0.747	S	S	*	*			trans	45.4	95.4	135	-58.7	165.5	0	0	0	113.7	T16	L14-T16 HydrophobicContact CB-CG2 4.21Å; L14-T16 PolarHBondContact O-N 2.73Å
15	K	37.4	Very low	45.5	Very low	220 Å²	220	135.6 Å²	135.6	96%	0.957	74%	0.739	S	S	*	*			trans	-58.8	81.7	158.7	-69.2	-179.8	178.1	-179	0	108.8
16	T	42.1	Very low	45.5	Very low	101 Å²	101	135.7 Å²	135.7	62%	0.62	73%	0.729	S	S	*	*			trans	-94.3	116.9	163.9	54.6	0	0	0	0	106.1	L14 W18	L14-T16 HydrophobicContact CB-CG2 4.21Å; L14-T16 PolarHBondContact O-N 2.73Å; T16-W18 PolarHBondContact O-N 3.41Å
17	G	41.5	Very low	46	Very low	75 Å²	75	133.7 Å²	133.7	77%	0.773	73%	0.725	S	S	*	*			trans	-45.6	131.5	-171.1	0	0	0	0	0	113.8	G19	G17-G19 PolarHBondContact O-N 2.78Å
18	W	39.3	Very low	46.7	Very low	260 Å²	260	136.3 Å²	136.3	99%	0.985	73%	0.73	S	S	*	*			trans	-79.9	100.7	174.3	-69.6	76.4	0	0	0	108.4	T16	T16-W18 PolarHBondContact O-N 3.41Å
19	G	51.9	Low	46.9	Very low	37 Å²	37	135.5 Å²	135.5	38%	0.381	72%	0.721	S	S	.	*			trans	-130.4	154.1	166.8	0	0	0	0	0	109.1	G17 N21	G17-G19 PolarHBondContact O-N 2.78Å; G19-N21 PolarHBondContact O-N 3.3Å
20	P	53.6	Low	47.3	Very low	128 Å²	128	135.3 Å²	135.3	83%	0.831	71%	0.714	S	S	*	*	S	Bend	trans	-65	10.5	-170.9	24.9	-34.2	0	0	0	116
21	N	52.8	Low	48.2	Very low	124 Å²	124	129.4 Å²	129.4	66%	0.663	69%	0.691	S	S	*	*			trans	-110.2	28.5	-171.4	-61.7	-28.5	0	0	0	113.3	G19 G23	G19-N21 PolarHBondContact O-N 3.3Å; N21-G23 PolarHBondContact O-N 3.03Å; N21-G23 VanDerWaalsContact O-N 3.09Å
22	T	51	Low	48.8	Very low	119 Å²	119	125.8 Å²	125.8	73%	0.73	69%	0.689	S	S	*	*			trans	-76.4	88.4	178	41.1	0	0	0	0	111.2
23	G	48.4	Very low	50	Low	44 Å²	44	125.1 Å²	125.1	45%	0.454	68%	0.675	S	S	.	*			trans	176.7	65.1	172.9	0	0	0	0	0	117.9	N21	N21-G23 PolarHBondContact O-N 3.03Å; N21-G23 VanDerWaalsContact O-N 3.09Å
24	Y	47.7	Very low	51	Low	156 Å²	156	123.4 Å²	123.4	61%	0.612	68%	0.676	S	S	*	*			trans	-173.3	123.5	137.8	-127.2	-102.3	0	0	0	108	E26	Y24-E26 HydrophobicContact CD1-CG 4.03Å; Y24-E26 HydrophobicContact CE1-CG 4.12Å
25	K	47.2	Very low	52	Low	159 Å²	159	121.3 Å²	121.3	69%	0.691	66%	0.662	S	S	*	*			trans	-115.6	108.3	168.9	-86.9	-171.8	176.2	-178.9	0	107.2
26	E	51.5	Low	53.5	Low	122 Å²	122	116.9 Å²	116.9	57%	0.57	65%	0.645	S	S	*	*	B	Isolated β-bridge	trans	-105	112.3	160.9	-74.5	-177.5	171.7	0	0	108.4	Y24 T29 V31	Y24-E26 HydrophobicContact CD1-CG 4.03Å; Y24-E26 HydrophobicContact CE1-CG 4.12Å; E26-T29 PolarHBondContact O-OG1 3.09Å; E26-V31 HydrophobicContact CB-CG2 3.86Å; E26-V31 HydrophobicContact CG-CG2 4.46Å
27	G	59.4	Low	54.6	Low	66 Å²	66	116.6 Å²	116.6	68%	0.68	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.5	-152.8	-177.1	0	0	0	0	0	114.9	T29	G27-T29 VanDerWaalsContact C-N 3.3Å
28	K	57.8	Low	55.8	Low	223 Å²	223	116.3 Å²	116.3	97%	0.97	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-5.1	178.8	-68.1	-178.6	-178.7	175.1	0	113.2
29	T	51.6	Low	57.1	Low	95 Å²	95	109.8 Å²	109.8	58%	0.583	60%	0.604	S	S	*	*	B	Isolated β-bridge	trans	-102.1	131.4	-178.3	37.9	0	0	0	0	109.8	E26 G27 V31	E26-T29 PolarHBondContact O-OG1 3.09Å; G27-T29 VanDerWaalsContact C-N 3.3Å; T29-V31 PolarHBondContact O-N 3.43Å
30	F	51.8	Low	57.4	Low	137 Å²	137	115.7 Å²	115.7	60%	0.601	62%	0.616	S	S	*	*			trans	-69.5	99.7	166.6	-124.7	-88.9	0	0	0	107.2	G32	F30-G32 PolarHBondContact O-N 3.45Å
31	V	60	Low	57.7	Low	63 Å²	63	112.8 Å²	112.8	38%	0.382	59%	0.588	S	S	.	*			trans	-76.2	113.8	161.9	-92.6	0	0	0	0	106.2	E26 T29	E26-V31 HydrophobicContact CB-CG2 3.86Å; E26-V31 HydrophobicContact CG-CG2 4.46Å; T29-V31 PolarHBondContact O-N 3.43Å
32	G	58	Low	58.2	Low	65 Å²	65	114 Å²	114	67%	0.67	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-53.9	145.7	174.9	0	0	0	0	0	110.3	F30 Q34	F30-G32 PolarHBondContact O-N 3.45Å; G32-Q34 PolarHBondContact O-N 3.04Å
33	V	63.3	Low	59	Low	77 Å²	77	116.1 Å²	116.1	47%	0.467	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-55.3	129.5	173.6	-172	0	0	0	0	108	Q35	V33-Q35 PolarHBondContact O-N 3.25Å
34	Q	63.9	Low	60.4	Low	179 Å²	179	118.5 Å²	118.5	84%	0.836	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-51.9	118.7	172.8	-174	178.1	11.4	0	0	107.9	G32 H36	G32-Q34 PolarHBondContact O-N 3.04Å; Q34-H36 PolarHBondContact O-N 3.31Å
35	Q	62	Low	62.1	Low	97 Å²	97	112.7 Å²	112.7	45%	0.453	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-61.6	132.3	-178.6	-70.2	176.9	-19.7	0	0	108.5	V33 K39 Y40	V33-Q35 PolarHBondContact O-N 3.25Å; Q35-K39 HydrophobicContact CB-CD 3.94Å; Q35-K39 HydrophobicContact CG-CD 4.05Å; Q35-K39 VanDerWaalsContact OE1-CD 3.3Å; Q35-Y40 PolarHBondContact OE1-OH 2.95Å
36	H	68.5	Low	63.8	Low	128 Å²	128	110.9 Å²	110.9	59%	0.593	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-53	132.9	178.1	-168.7	-79.6	0	0	0	109.1	Q34 L38 K39	Q34-H36 PolarHBondContact O-N 3.31Å; H36-L38 WeakPolarHBondContact CE1-CD1 3.42Å; H36-L38 VanDerWaalsContact CE1-CG 3.41Å; H36-L38 WeakPolarHBondContact CE1-CG 3.41Å; H36-L38 WeakPolarHBondContact ND1-CB 3.25Å; H36-L38 WeakPolarHBondContact ND1-CG 3.38Å; H36-L38 PolarHBondContact ND1-N 3.27Å; H36-L38 PolarHBondContact O-N 2.85Å; H36-K39 VanDerWaalsContact O-CB 3.25Å; H36-K39 WeakPolarHBondContact O-CB 3.36Å; H36-K39 PolarHBondContact O-N 2.99Å
37	P	65.3	Low	65.2	Low	95 Å²	95	107.9 Å²	107.9	62%	0.617	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-53.5	-31.8	-174.2	-27	32.5	0	0	0	113.6	K39 Y40	P37-K39 PolarHBondContact O-N 3.21Å; P37-K39 VanDerWaalsContact O-N 3.08Å; P37-Y40 PolarHBondContact O-N 3.17Å
38	L	67.3	Low	66.4	Low	69 Å²	69	112 Å²	112	36%	0.361	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-59.5	-16.7	175.7	-64.4	176.2	0	0	0	114.7	H36 Y40 Y41 P47	H36-L38 WeakPolarHBondContact CE1-CD1 3.42Å; H36-L38 VanDerWaalsContact CE1-CG 3.41Å; H36-L38 WeakPolarHBondContact CE1-CG 3.41Å; H36-L38 WeakPolarHBondContact ND1-CB 3.25Å; H36-L38 WeakPolarHBondContact ND1-CG 3.38Å; H36-L38 PolarHBondContact ND1-N 3.27Å; H36-L38 PolarHBondContact O-N 2.85Å; L38-Y40 PolarHBondContact O-N 3.29Å; L38-Y41 HydrophobicContact CD2-CD1 4.45Å; L38-Y41 HydrophobicContact CD2-CG 4.09Å; L38-Y41 WeakPolarHBondContact O-CB 3.42Å; L38-Y41 PolarHBondContact O-N 3.08Å; L38-P47 HydrophobicContact CD2-CG 4.37Å
39	K	65.5	Low	67.8	Low	123 Å²	123	103.4 Å²	103.4	54%	0.535	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-59.4	-33.6	175.6	-172.7	-170.4	170.5	-160.2	0	112.2	Q35 H36 P37	Q35-K39 HydrophobicContact CB-CD 3.94Å; Q35-K39 HydrophobicContact CG-CD 4.05Å; Q35-K39 VanDerWaalsContact OE1-CD 3.3Å; H36-K39 VanDerWaalsContact O-CB 3.25Å; H36-K39 WeakPolarHBondContact O-CB 3.36Å; H36-K39 PolarHBondContact O-N 2.99Å; P37-K39 PolarHBondContact O-N 3.21Å; P37-K39 VanDerWaalsContact O-N 3.08Å
40	Y	58.6	Low	69.8	Low	160 Å²	160	103 Å²	103	63%	0.627	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-102.5	9.6	-179.1	-63.6	-78.6	0	0	0	112.7	Q35 P37 L38 I42	Q35-Y40 PolarHBondContact OE1-OH 2.95Å; P37-Y40 PolarHBondContact O-N 3.17Å; L38-Y40 PolarHBondContact O-N 3.29Å; Y40-I42 PolarHBondContact O-N 3.25Å
41	Y	59.9	Low	71.9	Confident	67 Å²	67	100.5 Å²	100.5	26%	0.263	51%	0.507	S	S	.	.			trans	-87.2	102.3	-173.2	-160	-89	0	0	0	109.3	L38 W43 R45 P47	L38-Y41 HydrophobicContact CD2-CD1 4.45Å; L38-Y41 HydrophobicContact CD2-CG 4.09Å; L38-Y41 WeakPolarHBondContact O-CB 3.42Å; L38-Y41 PolarHBondContact O-N 3.08Å; Y41-W43 VanDerWaalsContact C-N 3.32Å; Y41-W43 HydrophobicContact CD1-CB 4.24Å; Y41-W43 WeakPolarHBondContact CD1-O 3.18Å; Y41-W43 HydrophobicContact CE1-CB 3.46Å; Y41-W43 VanDerWaalsContact CE1-CB 3.46Å; Y41-W43 HydrophobicContact CE1-CG 4.19Å; Y41-W43 WeakPolarHBondContact CE1-O 3.46Å; Y41-W43 AromaticContact CE2-CD1 4Å; Y41-W43 AromaticContact CZ-CD1 3.75Å; Y41-R45 WeakPolarHBondContact CE1-O 2.74Å; Y41-R45 PolarHBondContact OH-O 2.96Å; Y41-P47 HydrophobicContact CD2-CG 3.95Å; Y41-P47 HydrophobicContact CE2-CG 3.63Å
42	I	64.1	Low	73.5	Confident	151 Å²	151	98.2 Å²	98.2	77%	0.774	50%	0.496	S	S	*	.			trans	-83.5	-12.6	-175.6	-52.4	169	0	0	0	111.3	Y40	Y40-I42 PolarHBondContact O-N 3.25Å
43	W	67.4	Low	75.3	Confident	162 Å²	162	98.3 Å²	98.3	61%	0.614	48%	0.48	S	S	*	.	S	Bend	trans	-91.8	152.5	-174.6	-40.5	98.2	0	0	0	112	Y41 D79	Y41-W43 VanDerWaalsContact C-N 3.32Å; Y41-W43 HydrophobicContact CD1-CB 4.24Å; Y41-W43 WeakPolarHBondContact CD1-O 3.18Å; Y41-W43 HydrophobicContact CE1-CB 3.46Å; Y41-W43 VanDerWaalsContact CE1-CB 3.46Å; Y41-W43 HydrophobicContact CE1-CG 4.19Å; Y41-W43 WeakPolarHBondContact CE1-O 3.46Å; Y41-W43 AromaticContact CE2-CD1 4Å; Y41-W43 AromaticContact CZ-CD1 3.75Å; W43-D79 HydrophobicContact CB-CB 4.48Å
44	D	77	Confident	76.8	Confident	95 Å²	95	95.8 Å²	95.8	51%	0.508	46%	0.464	S	S	.	.	S	Bend	trans	-71.5	-32.5	-177.7	-67.6	-34	0	0	0	112.7	K81	D44-K81 HydrophobicContact CB-CB 4.42Å; D44-K81 HydrophobicContact CB-CD 4.28Å; D44-K81 HydrophobicContact CB-CG 4.16Å; D44-K81 WeakPolarHBondContact O-CD 3.09Å; D44-K81 WeakPolarHBondContact O-CE 3.13Å; D44-K81 PolarHBondContact O-NZ 2.76Å
45	R	83.6	Confident	78.2	Confident	33 Å²	33	90.1 Å²	90.1	13%	0.125	45%	0.454	C	S	.	.	S	Bend	trans	-80.5	125.5	-177.7	176.5	-165.4	169.1	-92.3	-12.2	111.8	Y41 P47 E49 D79 I113	Y41-R45 WeakPolarHBondContact CE1-O 2.74Å; Y41-R45 PolarHBondContact OH-O 2.96Å; R45-P47 PolarHBondContact NH1-O 3.43Å; R45-P47 PolarHBondContact NH2-O 3.06Å; R45-E49 HydrophobicContact CG-CB 4.2Å; R45-E49 PolarHBondContact NE-O 3.05Å; R45-E49 PolarHBondContact NH2-O 3.24Å; R45-D79 PolarHBondContact N-O 3Å; R45-I113 HydrophobicContact CB-CG2 4.02Å; R45-I113 HydrophobicContact CG-CD1 4.15Å; R45-I113 HydrophobicContact CG-CG2 3.9Å
46	K	83.1	Confident	79.8	Confident	122 Å²	122	89.1 Å²	89.1	53%	0.53	46%	0.457	S	S	.	.			trans	-66.6	150.9	174	-64.8	176.3	-179	178.5	0	111.1	D48 E49	K46-D48 PolarHBondContact O-N 3.38Å; K46-E49 HydrophobicContact CB-CB 4.14Å; K46-E49 PolarHBondContact N-OE2 3.06Å; K46-E49 WeakPolarHBondContact O-CB 3.44Å; K46-E49 PolarHBondContact O-N 3.22Å
47	P	81.5	Confident	81.1	Confident	58 Å²	58	84.2 Å²	84.2	38%	0.377	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-41.2	179.9	-28.7	33.8	0	0	0	114.2	L38 Y41 R45	L38-P47 HydrophobicContact CD2-CG 4.37Å; Y41-P47 HydrophobicContact CD2-CG 3.95Å; Y41-P47 HydrophobicContact CE2-CG 3.63Å; R45-P47 PolarHBondContact NH1-O 3.43Å; R45-P47 PolarHBondContact NH2-O 3.06Å
48	D	85.2	Confident	82.5	Confident	154 Å²	154	82.1 Å²	82.1	82%	0.824	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-4.2	-175.3	-48.6	-48.1	0	0	0	114.2	K46	K46-D48 PolarHBondContact O-N 3.38Å
49	E	87	Confident	83.8	Confident	42 Å²	42	84.7 Å²	84.7	20%	0.196	43%	0.431	C	S	.	.	S	Bend	trans	-84.7	118.6	-172.9	-169.7	175.1	-166.4	0	0	110.7	R45 K46 K81 I113	R45-E49 HydrophobicContact CG-CB 4.2Å; R45-E49 PolarHBondContact NE-O 3.05Å; R45-E49 PolarHBondContact NH2-O 3.24Å; K46-E49 HydrophobicContact CB-CB 4.14Å; K46-E49 PolarHBondContact N-OE2 3.06Å; K46-E49 WeakPolarHBondContact O-CB 3.44Å; K46-E49 PolarHBondContact O-N 3.22Å; E49-K81 WeakPolarHBondContact OE1-CE 3.13Å; E49-K81 IonicContact OE1-NZ 3.78Å; E49-K81 PolarHBondContact OE1-NZ 2.98Å; E49-K81 WeakPolarHBondContact OE2-CE 3.29Å; E49-K81 IonicContact OE2-NZ 3.24Å; E49-K81 PolarHBondContact OE2-NZ 3.17Å; E49-I113 HydrophobicContact CB-CD1 4.47Å; E49-I113 HydrophobicContact CG-CD1 3.54Å; E49-I113 WeakPolarHBondContact OE1-CD1 3.38Å
50	P	93.4	Very high	85.2	Confident	85 Å²	85	81.3 Å²	81.3	55%	0.552	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-61.9	152.5	-174.3	26.7	-34.9	0	0	0	112	Q54	P50-Q54 PolarHBondContact O-NE2 3.33Å
51	Y	94.4	Very high	86.8	Confident	86 Å²	86	79.3 Å²	79.3	34%	0.337	43%	0.425	S	S	.	.	S	Bend	trans	-69.6	160.2	168.7	-64.9	-79.7	0	0	0	111	D79 I113 S114 D115	Y51-D79 VanDerWaalsContact CE1-OD1 3.25Å; Y51-D79 WeakPolarHBondContact CE1-OD1 3.4Å; Y51-D79 PolarHBondContact OH-OD1 2.96Å; Y51-I113 HydrophobicContact CD1-CG2 3.99Å; Y51-S114 WeakPolarHBondContact CD1-O 3.48Å; Y51-S114 WeakPolarHBondContact CE1-O 3.49Å; Y51-D115 VanDerWaalsContact CD1-CA 3.43Å; Y51-D115 HydrophobicContact CD1-CB 3.91Å; Y51-D115 HydrophobicContact CD2-CB 4.41Å; Y51-D115 HydrophobicContact CE1-CB 4.44Å; Y51-D115 HydrophobicContact CG-CB 3.87Å
52	G	95.2	Very high	88.4	Confident	15 Å²	15	80.3 Å²	80.3	16%	0.155	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	92.9	-149.7	177.9	0	0	0	0	0	114	Q54 Y112 I113	G52-Q54 PolarHBondContact O-NE2 3.2Å; G52-Y112 CarbonylContact O-C 3.58Å; G52-Y112 WeakPolarHBondContact O-CA 3.35Å; G52-I113 PolarHBondContact N-O 2.91Å; G52-I113 PolarHBondContact O-N 3.04Å
53	L	95.8	Very high	89.8	Confident	66 Å²	66	76.8 Å²	76.8	35%	0.346	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	130.9	-177.1	-72.4	168.9	0	0	0	111.6	H58 V110 Y112	L53-H58 HydrophobicContact CD2-CB 4.34Å; L53-V110 HydrophobicContact CD2-CG1 3.74Å; L53-Y112 HydrophobicContact CD2-CD2 4.13Å; L53-Y112 HydrophobicContact CG-CD2 4.27Å
54	Q	94.6	Very high	91.1	Very high	24 Å²	24	69.6 Å²	69.6	11%	0.112	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134.9	178.3	-48.5	-60.4	-53.2	0	0	111.3	P50 G52 R111 I113	P50-Q54 PolarHBondContact O-NE2 3.33Å; G52-Q54 PolarHBondContact O-NE2 3.2Å; Q54-R111 HydrophobicContact CB-CB 3.77Å; Q54-R111 HydrophobicContact CG-CB 4.21Å; Q54-R111 PolarHBondContact N-O 3.12Å; Q54-I113 HydrophobicContact CG-CD1 3.75Å; Q54-I113 HydrophobicContact CG-CG1 3.65Å
55	G	93.3	Very high	91.9	Very high	61 Å²	61	69.4 Å²	69.4	63%	0.629	39%	0.385	S	S	*	.	S	Bend	trans	65.2	-166.7	179.8	0	0	0	0	0	113.5	H58	G55-H58 PolarHBondContact O-CE1 3.27Å; G55-H58 PolarHBondContact O-ND1 2.72Å; G55-H58 VanDerWaalsContact O-ND1 3.13Å
56	S	95.3	Very high	92.4	Very high	76 Å²	76	69.1 Å²	69.1	53%	0.531	39%	0.385	S	S	.	.	S	Bend	trans	-106	4	-173.7	53.1	0	0	0	0	114.5	H58 L59	S56-H58 PolarHBondContact O-N 3.48Å; S56-H58 VanDerWaalsContact O-N 3.09Å; S56-L59 VanDerWaalsContact O-CB 3.32Å; S56-L59 WeakPolarHBondContact O-CB 3.44Å; S56-L59 PolarHBondContact O-N 2.65Å
57	N	95.5	Very high	92.9	Very high	24 Å²	24	65.3 Å²	65.3	13%	0.128	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-61	-24.9	-175.5	-64.2	-8.4	0	0	0	113.5	L59 L60 L108 P109 V110	N57-L59 PolarHBondContact O-N 2.96Å; N57-L60 HydrophobicContact CB-CD1 4.49Å; N57-L60 WeakPolarHBondContact O-CG 3.35Å; N57-L60 PolarHBondContact O-N 2.84Å; N57-L108 HydrophobicContact CB-CB 4.21Å; N57-L108 WeakPolarHBondContact ND2-CB 3.34Å; N57-P109 PolarHBondContact ND2-O 3.11Å; N57-V110 HydrophobicContact CB-CG2 4.38Å
58	H	94.6	Very high	93.5	Very high	51 Å²	51	63.1 Å²	63.1	24%	0.236	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-70.2	-18.2	175.2	63.7	-84.9	0	0	0	113	L53 G55 S56 V110 R131	L53-H58 HydrophobicContact CD2-CB 4.34Å; G55-H58 PolarHBondContact O-CE1 3.27Å; G55-H58 PolarHBondContact O-ND1 2.72Å; G55-H58 VanDerWaalsContact O-ND1 3.13Å; S56-H58 PolarHBondContact O-N 3.48Å; S56-H58 VanDerWaalsContact O-N 3.09Å; H58-V110 HydrophobicContact CB-CG1 3.81Å; H58-V110 HydrophobicContact CB-CG2 4.18Å; H58-R131 HydrophobicContact CB-CB 4.26Å
59	L	95.3	Very high	93.8	Very high	123 Å²	123	59.6 Å²	59.6	64%	0.644	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-91	-2.6	179.8	-55.8	173.4	0	0	0	113.3	S56 N57	S56-L59 VanDerWaalsContact O-CB 3.32Å; S56-L59 WeakPolarHBondContact O-CB 3.44Å; S56-L59 PolarHBondContact O-N 2.65Å; N57-L59 PolarHBondContact O-N 2.96Å
60	L	94	Very high	94.1	Very high	52 Å²	52	63.7 Å²	63.7	27%	0.272	36%	0.362	S	S	.	.			trans	-61.7	127.8	-179.6	-69.2	173.1	0	0	0	110.5	N57 M62 L107 L108 R131	N57-L60 HydrophobicContact CB-CD1 4.49Å; N57-L60 WeakPolarHBondContact O-CG 3.35Å; N57-L60 PolarHBondContact O-N 2.84Å; L60-M62 VanDerWaalsContact C-N 3.29Å; L60-M62 PolarHBondContact O-N 2.88Å; L60-L107 HydrophobicContact CB-CD2 4.41Å; L60-L107 HydrophobicContact CD1-CD2 4.39Å; L60-L108 HydrophobicContact CD1-CB 4.3Å; L60-R131 PolarHBondContact O-NH1 2.89Å; L60-R131 PolarHBondContact O-NH2 3.47Å; L60-R131 VanDerWaalsContact O-NH2 3.1Å
61	P	93	Very high	94.3	Very high	118 Å²	118	61.1 Å²	61.1	77%	0.766	35%	0.345	S	S	*	.	S	Bend	trans	-71	-25.2	-172.5	27.6	-35.2	0	0	0	113.3
62	M	93.4	Very high	94.4	Very high	88 Å²	88	59.3 Å²	59.3	43%	0.433	34%	0.341	S	S	.	.			trans	-72	144.5	-177.6	-59.6	173.8	76.1	0	0	111.3	L60 Q106 L107 R131	L60-M62 VanDerWaalsContact C-N 3.29Å; L60-M62 PolarHBondContact O-N 2.88Å; M62-Q106 HydrophobicContact CE-CB 4.17Å; M62-Q106 HydrophobicContact SD-CB 3.73Å; M62-Q106 HydrophobicContact SD-CG 4.42Å; M62-Q106 PolarHBondContact SD-OE1 2.7Å; M62-L107 HydrophobicContact CB-CD2 3.86Å; M62-L107 HydrophobicContact CB-CG 4.35Å; M62-L107 WeakPolarHBondContact O-CD2 2.93Å; M62-R131 PolarHBondContact O-NH1 3.37Å; M62-R131 PolarHBondContact O-NH2 3.2Å
63	M	93.6	Very high	94.5	Very high	78 Å²	78	64.3 Å²	64.3	38%	0.384	36%	0.359	S	S	.	.			trans	-104.3	149.4	173.2	-63.5	-68.4	178.4	0	0	110.5	K126 Q127 R131	M63-K126 VanDerWaalsContact SD-O 3.36Å; M63-Q127 VanDerWaalsContact CB-OE1 3.27Å; M63-R131 PolarHBondContact SD-NH2 2.76Å
64	G	93.6	Very high	94.5	Very high	10 Å²	10	63.9 Å²	63.9	10%	0.103	35%	0.354	C	S	.	.			trans	-83.1	174.7	179.8	0	0	0	0	0	113.8	S86 C87 Q127	G64-S86 VanDerWaalsContact CA-O 3.31Å; G64-S86 WeakPolarHBondContact CA-O 3.48Å; G64-C87 WeakPolarHBondContact CA-O 3.49Å; G64-Q127 PolarHBondContact O-NE2 3.42Å
65	K	93.9	Very high	94.7	Very high	92 Å²	92	69.1 Å²	69.1	40%	0.4	38%	0.379	S	S	.	.			trans	-64.3	144.6	169	179.8	172.8	176.7	160.5	0	110.2	A67 C87 G88 F89 K126 G147	K65-A67 PolarHBondContact O-N 3.27Å; K65-A67 VanDerWaalsContact O-N 3.16Å; K65-C87 PolarHBondContact N-O 3Å; K65-G88 WeakPolarHBondContact O-CA 3.27Å; K65-F89 HydrophobicContact CB-CE2 4.33Å; K65-F89 HydrophobicContact CB-CZ 4.3Å; K65-F89 HydrophobicContact CD-CE1 3.99Å; K65-F89 HydrophobicContact CD-CZ 4.16Å; K65-K126 WeakPolarHBondContact O-CG 3.15Å; K65-G147 WeakPolarHBondContact CE-O 2.94Å; K65-G147 PolarHBondContact NZ-O 2.8Å; K65-G147 PolarHBondContact NZ-OXT 2.75Å; K65-G147 VanDerWaalsContact NZ-OXT 3.08Å
66	I	95	Very high	94.8	Very high	26 Å²	26	66.4 Å²	66.4	13%	0.133	35%	0.35	C	S	.	.			trans	-69.1	111.4	175.5	-66.5	159.8	0	0	0	109	C125 Q127 L141 D145 F146	I66-C125 WeakPolarHBondContact CA-O 3.11Å; I66-C125 WeakPolarHBondContact CG1-O 3.48Å; I66-C125 HydrophobicContact CG2-CB 4.43Å; I66-Q127 HydrophobicContact CG1-CG 4.33Å; I66-L141 HydrophobicContact CD1-CD1 3.87Å; I66-L141 HydrophobicContact CD1-CD2 4.46Å; I66-L141 HydrophobicContact CG1-CD1 4.16Å; I66-D145 HydrophobicContact CD1-CB 3.48Å; I66-D145 VanDerWaalsContact CD1-CB 3.48Å; I66-D145 WeakPolarHBondContact CD1-O 3.39Å; I66-F146 HydrophobicContact CG2-CE1 4.35Å
67	A	94.2	Very high	94.7	Very high	42 Å²	42	67.3 Å²	67.3	35%	0.347	35%	0.346	S	S	.	.			trans	-85.8	-31	174.5	0	0	0	0	0	112.2	K65 Q93 N124	K65-A67 PolarHBondContact O-N 3.27Å; K65-A67 VanDerWaalsContact O-N 3.16Å; A67-Q93 HydrophobicContact CB-CG 3.98Å; A67-N124 WeakPolarHBondContact CB-O 3.5Å; A67-N124 PolarHBondContact N-O 2.89Å
68	G	93.3	Very high	94.6	Very high	12 Å²	12	72.6 Å²	72.6	12%	0.124	36%	0.364	C	S	.	.			trans	-171.1	155.2	173.3	0	0	0	0	0	112	N124 C125	G68-N124 PolarHBondContact N-O 3.18Å; G68-N124 CarbonylContact O-C 3.2Å; G68-C125 WeakPolarHBondContact O-CA 3.46Å; G68-C125 WeakPolarHBondContact O-CB 3.22Å; G68-C125 PolarHBondContact O-N 2.83Å
69	R	91.4	Very high	94.4	Very high	80 Å²	80	71.3 Å²	71.3	30%	0.302	36%	0.359	S	S	.	.	S	Bend	trans	-79.2	-32.9	-176.2	-72.5	-174.2	175.8	147.7	8.7	113.8	H138 F142 P143 F146	R69-H138 WeakPolarHBondContact O-CB 3.45Å; R69-H138 PolarHBondContact O-CD2 2.93Å; R69-H138 VanDerWaalsContact O-CD2 3.25Å; R69-F142 PolarHBondContact NH2-O 2.94Å; R69-F142 VanDerWaalsContact NH2-O 3.17Å; R69-P143 PolarHBondContact NH2-O 2.76Å; R69-F146 HydrophobicContact CG-CE1 4.36Å; R69-F146 HydrophobicContact CG-CZ 3.82Å; R69-F146 VanDerWaalsContact NH2-CD2 3.29Å
70	L	93.5	Very high	94.3	Very high	129 Å²	129	69.5 Å²	69.5	68%	0.675	35%	0.345	S	S	*	.	S	Bend	trans	-91.1	141.4	-176.6	-62.4	176.5	0	0	0	110.8	N124	L70-N124 WeakPolarHBondContact O-CB 3.38Å
71	P	96.6	Very high	94.3	Very high	30 Å²	30	70.7 Å²	70.7	20%	0.195	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-66.7	151.4	172.3	30.2	-34.9	0	0	0	111	W121 F122 C134	P71-W121 HydrophobicContact CB-CB 4.31Å; P71-W121 HydrophobicContact CB-CE3 4.02Å; P71-W121 HydrophobicContact CG-CE3 3.81Å; P71-W121 HydrophobicContact CG-CZ3 4.32Å; P71-F122 VanDerWaalsContact CA-O 3.31Å; P71-F122 WeakPolarHBondContact CA-O 3.29Å; P71-F122 WeakPolarHBondContact CB-O 3.46Å; P71-C134 HydrophobicContact CB-CB 3.76Å; P71-C134 HydrophobicContact CG-CB 4.45Å
72	I	97.1	Very high	94.4	Very high	49 Å²	49	66 Å²	66	25%	0.251	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.9	178.6	-62.1	171	0	0	0	108.5	Q93 P94 F122 N124	I72-Q93 HydrophobicContact CD1-CB 4.07Å; I72-P94 HydrophobicContact CB-CG 4.44Å; I72-P94 HydrophobicContact CD1-CB 4.11Å; I72-P94 HydrophobicContact CD1-CG 4.37Å; I72-P94 HydrophobicContact CG2-CG 4.37Å; I72-F122 PolarHBondContact N-O 2.8Å; I72-F122 PolarHBondContact O-N 3.3Å; I72-N124 HydrophobicContact CD1-CB 4.28Å; I72-N124 HydrophobicContact CG1-CB 4.24Å
73	K	97.3	Very high	94.6	Very high	120 Å²	120	63.9 Å²	63.9	52%	0.522	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	130.3	170.9	-172.1	-172.6	178.6	-165.7	0	109	T119 W121	K73-T119 HydrophobicContact CD-CG2 4.16Å; K73-T119 HydrophobicContact CG-CG2 3.72Å; K73-W121 HydrophobicContact CB-CD2 4.3Å; K73-W121 HydrophobicContact CB-CE3 3.95Å; K73-W121 HydrophobicContact CB-CH2 3.91Å; K73-W121 HydrophobicContact CB-CZ2 4.22Å; K73-W121 HydrophobicContact CB-CZ3 3.76Å; K73-W121 HydrophobicContact CD-CH2 4.43Å; K73-W121 HydrophobicContact CD-CZ2 4.29Å; K73-W121 HydrophobicContact CG-CH2 4.35Å; K73-W121 HydrophobicContact CG-CZ2 4.19Å
74	F	96.8	Very high	94.8	Very high	57 Å²	57	60.2 Å²	60.2	25%	0.25	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	140.7	178.3	-170.1	-92.9	0	0	0	111.5	M76 Y82 F95 T119 V120 F122	F74-M76 HydrophobicContact CD1-CG 4.14Å; F74-Y82 HydrophobicContact CD1-CE1 4.34Å; F74-Y82 HydrophobicContact CE1-CD1 4Å; F74-Y82 AromaticContact CE1-CE1 3.32Å; F74-Y82 HydrophobicContact CE1-CE1 3.32Å; F74-Y82 AromaticContact CE1-CZ 3.81Å; F74-Y82 HydrophobicContact CZ-CD1 4.49Å; F74-Y82 AromaticContact CZ-CE1 3.81Å; F74-Y82 HydrophobicContact CZ-CE1 3.81Å; F74-F95 AromaticContact CD1-CZ 3.97Å; F74-F95 HydrophobicContact CD1-CZ 3.97Å; F74-F95 AromaticContact CD2-CE2 3.87Å; F74-F95 HydrophobicContact CD2-CE2 3.87Å; F74-F95 AromaticContact CD2-CZ 3.77Å; F74-F95 HydrophobicContact CD2-CZ 3.77Å; F74-F95 AromaticContact CE1-CZ 3.8Å; F74-F95 HydrophobicContact CE1-CZ 3.8Å; F74-F95 AromaticContact CE2-CE2 3.5Å; F74-F95 HydrophobicContact CE2-CE2 3.5Å; F74-F95 AromaticContact CE2-CZ 3.58Å; F74-F95 HydrophobicContact CE2-CZ 3.58Å; F74-F95 AromaticContact CG-CZ 3.97Å; F74-F95 HydrophobicContact CG-CZ 3.97Å; F74-F95 AromaticContact CZ-CE2 3.87Å; F74-F95 HydrophobicContact CZ-CE2 3.87Å; F74-F95 AromaticContact CZ-CZ 3.59Å; F74-F95 HydrophobicContact CZ-CZ 3.59Å; F74-T119 WeakPolarHBondContact O-CA 3.38Å; F74-V120 HydrophobicContact CB-CG2 4.49Å; F74-V120 PolarHBondContact N-O 3.04Å; F74-V120 PolarHBondContact O-N 3.1Å; F74-F122 HydrophobicContact CB-CD2 3.74Å; F74-F122 HydrophobicContact CB-CE2 3.86Å; F74-F122 AromaticContact CD1-CE2 3.89Å; F74-F122 HydrophobicContact CD1-CE2 3.89Å; F74-F122 HydrophobicContact CG-CD2 4.28Å; F74-F122 AromaticContact CG-CE2 3.98Å; F74-F122 HydrophobicContact CG-CE2 3.98Å
75	E	97.2	Very high	95	Very high	134 Å²	134	59.8 Å²	59.8	63%	0.626	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	102.5	176.1	-66.8	179.9	-177.5	0	0	109.4
76	M	95.3	Very high	95.1	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.02	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	143.8	174.2	-73.1	-179.1	163.7	0	0	110.6	F74 Y82 Y112 D117 C118 V120 F122 F133	F74-M76 HydrophobicContact CD1-CG 4.14Å; M76-Y82 WeakPolarHBondContact CA-OH 3.34Å; M76-Y82 HydrophobicContact CB-CE2 3.93Å; M76-Y82 HydrophobicContact CE-CD2 4.05Å; M76-Y82 HydrophobicContact CE-CG 4.39Å; M76-Y82 HydrophobicContact CG-CD2 4.1Å; M76-Y82 HydrophobicContact CG-CE2 3.75Å; M76-Y82 HydrophobicContact SD-CD2 4.42Å; M76-Y112 HydrophobicContact CE-CD1 3.58Å; M76-Y112 HydrophobicContact CE-CE1 3.9Å; M76-Y112 HydrophobicContact CE-CG 4.41Å; M76-Y112 HydrophobicContact SD-CD1 3.96Å; M76-Y112 HydrophobicContact SD-CE1 3.71Å; M76-D117 VanDerWaalsContact O-CA 3.27Å; M76-D117 WeakPolarHBondContact O-CA 3.47Å; M76-C118 WeakPolarHBondContact CB-O 3.25Å; M76-C118 PolarHBondContact N-O 3.29Å; M76-C118 PolarHBondContact O-N 3.5Å; M76-V120 HydrophobicContact CE-CG1 4.45Å; M76-V120 HydrophobicContact CE-CG2 3.69Å; M76-V120 HydrophobicContact CG-CG1 4.43Å; M76-V120 HydrophobicContact CG-CG2 3.84Å; M76-V120 HydrophobicContact SD-CB 4.39Å; M76-V120 HydrophobicContact SD-CG1 3.73Å; M76-V120 HydrophobicContact SD-CG2 3.77Å; M76-F122 HydrophobicContact CE-CE1 3.61Å; M76-F122 HydrophobicContact CE-CE2 3.91Å; M76-F122 HydrophobicContact CE-CZ 3.11Å; M76-F133 HydrophobicContact CE-CE1 3.98Å; M76-F133 HydrophobicContact CE-CZ 4.31Å
77	Q	94.3	Very high	95.2	Very high	95 Å²	95	54.5 Å²	54.5	44%	0.444	26%	0.263	S	S	.	.			trans	-110.4	145.5	171.6	-63.6	178.6	-17.4	0	0	109.9	K80 Y82 S114 D117	Q77-K80 HydrophobicContact CB-CD 3.92Å; Q77-K80 HydrophobicContact CB-CG 4.03Å; Q77-K80 WeakPolarHBondContact O-CB 3.36Å; Q77-K80 PolarHBondContact O-N 3.49Å; Q77-Y82 PolarHBondContact N-OH 3.09Å; Q77-S114 VanDerWaalsContact O-CB 3.3Å; Q77-S114 WeakPolarHBondContact O-CB 3.27Å; Q77-D117 WeakPolarHBondContact CA-OD1 3.27Å
78	R	92.3	Very high	95.2	Very high	134 Å²	134	52.9 Å²	52.9	51%	0.506	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	145.8	176	-179.5	173.8	179.7	138.7	7.4	111.2	K80 D115 D117	R78-K80 PolarHBondContact O-N 3.27Å; R78-D115 WeakPolarHBondContact CD-O 3.41Å; R78-D115 WeakPolarHBondContact CG-O 3.45Å; R78-D115 PolarHBondContact NE-O 3.46Å; R78-D117 PolarHBondContact N-OD1 3.43Å
79	D	91.2	Very high	95.4	Very high	25 Å²	25	55.5 Å²	55.5	13%	0.134	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	5.5	177.7	-67.2	-52.9	0	0	0	115	W43 R45 Y51 S114	W43-D79 HydrophobicContact CB-CB 4.48Å; R45-D79 PolarHBondContact N-O 3Å; Y51-D79 VanDerWaalsContact CE1-OD1 3.25Å; Y51-D79 WeakPolarHBondContact CE1-OD1 3.4Å; Y51-D79 PolarHBondContact OH-OD1 2.96Å; D79-S114 PolarHBondContact N-O 3.33Å
80	K	92.9	Very high	95.6	Very high	84 Å²	84	52 Å²	52	37%	0.365	25%	0.247	S	C	.	.			trans	-89.6	144.6	173.8	-66.9	-154.9	172.8	176.8	0	112.8	Q77 R78 Y82 I113 S114	Q77-K80 HydrophobicContact CB-CD 3.92Å; Q77-K80 HydrophobicContact CB-CG 4.03Å; Q77-K80 WeakPolarHBondContact O-CB 3.36Å; Q77-K80 PolarHBondContact O-N 3.49Å; R78-K80 PolarHBondContact O-N 3.27Å; K80-Y82 HydrophobicContact CB-CE2 3.75Å; K80-I113 WeakPolarHBondContact O-CA 3.36Å; K80-S114 PolarHBondContact O-N 2.78Å
81	K	94	Very high	95.7	Very high	78 Å²	78	53.6 Å²	53.6	34%	0.339	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.5	175.1	-71.5	178.5	168.3	161	0	110.8	D44 E49 I113	D44-K81 HydrophobicContact CB-CB 4.42Å; D44-K81 HydrophobicContact CB-CD 4.28Å; D44-K81 HydrophobicContact CB-CG 4.16Å; D44-K81 WeakPolarHBondContact O-CD 3.09Å; D44-K81 WeakPolarHBondContact O-CE 3.13Å; D44-K81 PolarHBondContact O-NZ 2.76Å; E49-K81 WeakPolarHBondContact OE1-CE 3.13Å; E49-K81 IonicContact OE1-NZ 3.78Å; E49-K81 PolarHBondContact OE1-NZ 2.98Å; E49-K81 WeakPolarHBondContact OE2-CE 3.29Å; E49-K81 IonicContact OE2-NZ 3.24Å; E49-K81 PolarHBondContact OE2-NZ 3.17Å; K81-I113 HydrophobicContact CG-CD1 4.14Å; K81-I113 HydrophobicContact CG-CG1 4.02Å
82	Y	95.7	Very high	95.6	Very high	20 Å²	20	57 Å²	57	8%	0.078	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.5	175.6	-62	-74.9	0	0	0	109.9	F74 M76 Q77 K80 F95 R111 Y112	F74-Y82 HydrophobicContact CD1-CE1 4.34Å; F74-Y82 HydrophobicContact CE1-CD1 4Å; F74-Y82 AromaticContact CE1-CE1 3.32Å; F74-Y82 HydrophobicContact CE1-CE1 3.32Å; F74-Y82 AromaticContact CE1-CZ 3.81Å; F74-Y82 HydrophobicContact CZ-CD1 4.49Å; F74-Y82 AromaticContact CZ-CE1 3.81Å; F74-Y82 HydrophobicContact CZ-CE1 3.81Å; M76-Y82 WeakPolarHBondContact CA-OH 3.34Å; M76-Y82 HydrophobicContact CB-CE2 3.93Å; M76-Y82 HydrophobicContact CE-CD2 4.05Å; M76-Y82 HydrophobicContact CE-CG 4.39Å; M76-Y82 HydrophobicContact CG-CD2 4.1Å; M76-Y82 HydrophobicContact CG-CE2 3.75Å; M76-Y82 HydrophobicContact SD-CD2 4.42Å; Q77-Y82 PolarHBondContact N-OH 3.09Å; K80-Y82 HydrophobicContact CB-CE2 3.75Å; Y82-F95 AromaticContact CD1-CE1 3.62Å; Y82-F95 HydrophobicContact CD1-CE1 3.62Å; Y82-F95 AromaticContact CD1-CZ 3.87Å; Y82-F95 HydrophobicContact CD1-CZ 3.87Å; Y82-F95 HydrophobicContact CE1-CZ 4.4Å; Y82-F95 HydrophobicContact CG-CE1 4.25Å; Y82-R111 CarbonylContact O-C 3.57Å; Y82-R111 WeakPolarHBondContact O-CA 3.28Å; Y82-Y112 PolarHBondContact N-O 3.22Å; Y82-Y112 PolarHBondContact O-N 2.67Å
83	S	96.8	Very high	95.4	Very high	42 Å²	42	56.6 Å²	56.6	29%	0.294	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	98.6	175.2	-66.8	0	0	0	0	109.3	F95 C96	S83-F95 CarbonylContact O-C 3.54Å; S83-F95 VanDerWaalsContact O-CA 3.27Å; S83-F95 WeakPolarHBondContact O-CA 3.49Å; S83-C96 PolarHBondContact O-N 3Å
84	W	98	Very high	95.4	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	136.1	179.4	176.4	82.7	0	0	0	111.6	S86 P109 V110 F122 C123 K126 T128 R131 P132	W84-S86 VanDerWaalsContact CZ3-CB 3.48Å; W84-S86 PolarHBondContact O-N 2.98Å; W84-P109 CarbonylContact O-C 3.54Å; W84-P109 VanDerWaalsContact O-CA 3.29Å; W84-P109 WeakPolarHBondContact O-CA 3.46Å; W84-V110 HydrophobicContact CB-CB 4.47Å; W84-V110 HydrophobicContact CE3-CB 3.89Å; W84-V110 HydrophobicContact CE3-CG2 3.76Å; W84-V110 HydrophobicContact CZ3-CG2 4.04Å; W84-V110 PolarHBondContact N-O 3.45Å; W84-V110 PolarHBondContact O-N 2.78Å; W84-F122 AromaticContact CD1-CD1 3.87Å; W84-C123 HydrophobicContact CZ2-CB 3.81Å; W84-C123 WeakPolarHBondContact CZ2-O 3.36Å; W84-C123 PolarHBondContact NE1-O 2.82Å; W84-K126 HydrophobicContact CH2-CD 3.93Å; W84-K126 HydrophobicContact CZ2-CD 3.44Å; W84-K126 VanDerWaalsContact CZ2-CD 3.44Å; W84-T128 HydrophobicContact CH2-CG2 4.37Å; W84-T128 HydrophobicContact CZ2-CG2 4.49Å; W84-R131 HydrophobicContact CH2-CG 4.25Å; W84-R131 HydrophobicContact CZ3-CB 4.25Å; W84-R131 HydrophobicContact CZ3-CG 4.08Å; W84-P132 HydrophobicContact CB-CB 3.53Å; W84-P132 HydrophobicContact CD2-CB 3.65Å; W84-P132 HydrophobicContact CE3-CB 4.09Å; W84-P132 HydrophobicContact CG-CB 3.4Å; W84-P132 VanDerWaalsContact CG-CB 3.4Å
85	C	97.7	Very high	95.4	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.007	24%	0.237	C	C	.	.			trans	-74.4	115.1	175.7	174.3	0	0	0	0	110.3	C87 G88 S90 P94 F95 K126	C85-C87 VanDerWaalsContact SG-SG 3.62Å; C85-G88 PolarHBondContact SG-N 2.84Å; C85-G88 VanDerWaalsContact SG-N 3.37Å; C85-S90 WeakPolarHBondContact SG-CB 3.47Å; C85-P94 WeakPolarHBondContact CB-O 3.38Å; C85-P94 PolarHBondContact N-O 2.65Å; C85-F95 WeakPolarHBondContact CB-O 3.36Å; C85-K126 VanDerWaalsContact O-CD 3.25Å; C85-K126 WeakPolarHBondContact O-CD 3.18Å; C85-K126 WeakPolarHBondContact O-CE 3.49Å; C85-K126 PolarHBondContact O-NZ 3.5Å
86	S	97.1	Very high	95.4	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.021	22%	0.217	C	C	.	.	S	Bend	trans	-90.9	-25.5	174.8	56.7	0	0	0	0	113.4	G64 W84 L108	G64-S86 VanDerWaalsContact CA-O 3.31Å; G64-S86 WeakPolarHBondContact CA-O 3.48Å; W84-S86 VanDerWaalsContact CZ3-CB 3.48Å; W84-S86 PolarHBondContact O-N 2.98Å; S86-L108 VanDerWaalsContact OG-C 3.29Å; S86-L108 PolarHBondContact OG-O 3.12Å
87	C	96.3	Very high	95.4	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.02	23%	0.23	C	C	.	.	S	Bend	trans	-80.5	-26.5	-173.2	68	0	0	0	0	114.5	G64 K65 C85 F89 H100 T105 L107	G64-C87 WeakPolarHBondContact CA-O 3.49Å; K65-C87 PolarHBondContact N-O 3Å; C85-C87 VanDerWaalsContact SG-SG 3.62Å; C87-F89 HydrophobicContact CB-CD2 4.1Å; C87-F89 PolarHBondContact SG-N 3.39Å; C87-H100 HydrophobicContact CB-CB 4.07Å; C87-T105 HydrophobicContact CB-CG2 4.19Å; C87-L107 HydrophobicContact CB-CB 4.01Å; C87-L107 HydrophobicContact CB-CD1 4.35Å
88	G	95.6	Very high	95.5	Very high	9 Å²	9	44.3 Å²	44.3	9%	0.093	22%	0.221	C	C	.	.	S	Bend	trans	93.5	-16.6	-177.6	0	0	0	0	0	115.4	K65 C85 S90 Q93	K65-G88 WeakPolarHBondContact O-CA 3.27Å; C85-G88 PolarHBondContact SG-N 2.84Å; C85-G88 VanDerWaalsContact SG-N 3.37Å; G88-S90 PolarHBondContact O-N 2.8Å; G88-Q93 PolarHBondContact O-NE2 2.68Å; G88-Q93 VanDerWaalsContact O-NE2 3.12Å
89	F	95.8	Very high	95.7	Very high	66 Å²	66	38 Å²	38	29%	0.289	20%	0.198	S	C	.	.			trans	-86.4	-1.5	-174.6	-64.8	-82.7	0	0	0	115.6	K65 C87 H91 S99 E103 T105	K65-F89 HydrophobicContact CB-CE2 4.33Å; K65-F89 HydrophobicContact CB-CZ 4.3Å; K65-F89 HydrophobicContact CD-CE1 3.99Å; K65-F89 HydrophobicContact CD-CZ 4.16Å; C87-F89 HydrophobicContact CB-CD2 4.1Å; C87-F89 PolarHBondContact SG-N 3.39Å; F89-H91 PolarHBondContact O-N 2.72Å; F89-S99 WeakPolarHBondContact O-CB 3.36Å; F89-E103 HydrophobicContact CB-CG 3.86Å; F89-E103 HydrophobicContact CD1-CB 4.48Å; F89-E103 HydrophobicContact CD1-CG 3.72Å; F89-E103 HydrophobicContact CD2-CB 4.11Å; F89-E103 HydrophobicContact CD2-CG 4.08Å; F89-E103 HydrophobicContact CE1-CG 4.22Å; F89-E103 HydrophobicContact CE2-CB 4.34Å; F89-E103 HydrophobicContact CG-CB 4.19Å; F89-E103 HydrophobicContact CG-CG 3.63Å; F89-T105 HydrophobicContact CD2-CG2 3.86Å; F89-T105 HydrophobicContact CE2-CG2 3.66Å
90	S	96.8	Very high	95.9	Very high	8 Å²	8	37.7 Å²	37.7	6%	0.056	20%	0.195	C	C	.	.			trans	-66.6	136.3	178.4	177.9	0	0	0	0	111.2	C85 G88 N92 Q93 F95 D97	C85-S90 WeakPolarHBondContact SG-CB 3.47Å; G88-S90 PolarHBondContact O-N 2.8Å; S90-N92 VanDerWaalsContact C-N 3.32Å; S90-N92 PolarHBondContact OG-N 2.9Å; S90-N92 VanDerWaalsContact OG-N 3.09Å; S90-Q93 WeakPolarHBondContact O-CG 3.3Å; S90-Q93 PolarHBondContact O-NE2 2.87Å; S90-F95 WeakPolarHBondContact CB-O 3.46Å; S90-F95 PolarHBondContact OG-O 3.49Å; S90-D97 VanDerWaalsContact CA-OD1 3.29Å; S90-D97 WeakPolarHBondContact CA-OD1 3.17Å; S90-D97 WeakPolarHBondContact CA-OD2 3.32Å; S90-D97 WeakPolarHBondContact CB-OD1 3.44Å; S90-D97 PolarHBondContact OG-N 3.48Å; S90-D97 PolarHBondContact OG-OD1 2.83Å
91	H	94.4	Very high	96	Very high	161 Å²	161	39.2 Å²	39.2	75%	0.745	21%	0.207	S	C	*	.	S	Bend	trans	-79.7	-18.7	172.3	-60.2	78.1	0	0	0	111.7	F89 D97	F89-H91 PolarHBondContact O-N 2.72Å; H91-D97 IonicContact CG-OD2 3.88Å; H91-D97 PolarHBondContact N-OD2 2.59Å; H91-D97 IonicContact ND1-OD2 3.27Å; H91-D97 PolarHBondContact ND1-OD2 3.09Å
92	N	95	Very high	96	Very high	102 Å²	102	43.7 Å²	43.7	55%	0.545	22%	0.222	S	C	.	.	S	Bend	trans	-105.4	50	-179.4	-169	27.6	0	0	0	111.6	S90 F95 D97	S90-N92 VanDerWaalsContact C-N 3.32Å; S90-N92 PolarHBondContact OG-N 2.9Å; S90-N92 VanDerWaalsContact OG-N 3.09Å; N92-F95 CarbonylContact O-C 3.51Å; N92-F95 WeakPolarHBondContact O-CA 3.45Å; N92-F95 PolarHBondContact O-N 2.64Å; N92-F95 VanDerWaalsContact O-O 3.06Å; N92-D97 HydrophobicContact CB-CB 4.46Å
93	Q	93.9	Very high	95.9	Very high	41 Å²	41	47.9 Å²	47.9	19%	0.192	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	138.4	-179.9	-66.2	-65.8	-21	0	0	111	A67 I72 G88 S90	A67-Q93 HydrophobicContact CB-CG 3.98Å; I72-Q93 HydrophobicContact CD1-CB 4.07Å; G88-Q93 PolarHBondContact O-NE2 2.68Å; G88-Q93 VanDerWaalsContact O-NE2 3.12Å; S90-Q93 WeakPolarHBondContact O-CG 3.3Å; S90-Q93 PolarHBondContact O-NE2 2.87Å
94	P	96.2	Very high	95.7	Very high	4 Å²	4	52.8 Å²	52.8	3%	0.026	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	cis	-89.3	1.8	10.3	34.6	-34.5	0	0	0	114.6	I72 C85 F122	I72-P94 HydrophobicContact CB-CG 4.44Å; I72-P94 HydrophobicContact CD1-CB 4.11Å; I72-P94 HydrophobicContact CD1-CG 4.37Å; I72-P94 HydrophobicContact CG2-CG 4.37Å; C85-P94 WeakPolarHBondContact CB-O 3.38Å; C85-P94 PolarHBondContact N-O 2.65Å; P94-F122 HydrophobicContact CB-CB 3.79Å; P94-F122 HydrophobicContact CB-CD2 4.34Å; P94-F122 HydrophobicContact CB-CG 4.25Å; P94-F122 HydrophobicContact CG-CB 4.02Å; P94-F122 HydrophobicContact CG-CD2 3.72Å; P94-F122 HydrophobicContact CG-CE2 4.43Å; P94-F122 HydrophobicContact CG-CG 4.13Å
95	F	97.3	Very high	95.4	Very high	37 Å²	37	54.3 Å²	54.3	16%	0.162	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-90.2	160.2	-171.5	-57.2	-61.9	0	0	0	112.7	F74 Y82 S83 C85 S90 N92 F122	F74-F95 AromaticContact CD1-CZ 3.97Å; F74-F95 HydrophobicContact CD1-CZ 3.97Å; F74-F95 AromaticContact CD2-CE2 3.87Å; F74-F95 HydrophobicContact CD2-CE2 3.87Å; F74-F95 AromaticContact CD2-CZ 3.77Å; F74-F95 HydrophobicContact CD2-CZ 3.77Å; F74-F95 AromaticContact CE1-CZ 3.8Å; F74-F95 HydrophobicContact CE1-CZ 3.8Å; F74-F95 AromaticContact CE2-CE2 3.5Å; F74-F95 HydrophobicContact CE2-CE2 3.5Å; F74-F95 AromaticContact CE2-CZ 3.58Å; F74-F95 HydrophobicContact CE2-CZ 3.58Å; F74-F95 AromaticContact CG-CZ 3.97Å; F74-F95 HydrophobicContact CG-CZ 3.97Å; F74-F95 AromaticContact CZ-CE2 3.87Å; F74-F95 HydrophobicContact CZ-CE2 3.87Å; F74-F95 AromaticContact CZ-CZ 3.59Å; F74-F95 HydrophobicContact CZ-CZ 3.59Å; Y82-F95 AromaticContact CD1-CE1 3.62Å; Y82-F95 HydrophobicContact CD1-CE1 3.62Å; Y82-F95 AromaticContact CD1-CZ 3.87Å; Y82-F95 HydrophobicContact CD1-CZ 3.87Å; Y82-F95 HydrophobicContact CE1-CZ 4.4Å; Y82-F95 HydrophobicContact CG-CE1 4.25Å; S83-F95 CarbonylContact O-C 3.54Å; S83-F95 VanDerWaalsContact O-CA 3.27Å; S83-F95 WeakPolarHBondContact O-CA 3.49Å; C85-F95 WeakPolarHBondContact CB-O 3.36Å; S90-F95 WeakPolarHBondContact CB-O 3.46Å; S90-F95 PolarHBondContact OG-O 3.49Å; N92-F95 CarbonylContact O-C 3.51Å; N92-F95 WeakPolarHBondContact O-CA 3.45Å; N92-F95 PolarHBondContact O-N 2.64Å; N92-F95 VanDerWaalsContact O-O 3.06Å; F95-F122 HydrophobicContact CE1-CD2 4.49Å; F95-F122 AromaticContact CE1-CE2 3.73Å; F95-F122 HydrophobicContact CE1-CE2 3.73Å; F95-F122 AromaticContact CE1-CZ 4Å; F95-F122 HydrophobicContact CE1-CZ 4Å; F95-F122 AromaticContact CZ-CE2 3.89Å; F95-F122 HydrophobicContact CZ-CE2 3.89Å
96	C	97.4	Very high	95.2	Very high	33 Å²	33	61.2 Å²	61.2	22%	0.223	31%	0.307	C	S	.	.			trans	-81.9	132.3	178.5	-173.5	0	0	0	0	111.5	S83 G98 H100 P109	S83-C96 PolarHBondContact O-N 3Å; C96-G98 PolarHBondContact SG-N 2.88Å; C96-H100 PolarHBondContact SG-CE1 2.72Å; C96-H100 PolarHBondContact SG-ND1 2.88Å; C96-P109 HydrophobicContact CB-CB 3.69Å; C96-P109 HydrophobicContact CB-CG 4.44Å
97	D	96	Very high	95.1	Very high	54 Å²	54	61.5 Å²	61.5	29%	0.289	31%	0.308	S	S	.	.			trans	-112.1	8.5	176.5	66.8	-12.4	0	0	0	112.7	S90 H91 N92 S99 R102	S90-D97 VanDerWaalsContact CA-OD1 3.29Å; S90-D97 WeakPolarHBondContact CA-OD1 3.17Å; S90-D97 WeakPolarHBondContact CA-OD2 3.32Å; S90-D97 WeakPolarHBondContact CB-OD1 3.44Å; S90-D97 PolarHBondContact OG-N 3.48Å; S90-D97 PolarHBondContact OG-OD1 2.83Å; H91-D97 IonicContact CG-OD2 3.88Å; H91-D97 PolarHBondContact N-OD2 2.59Å; H91-D97 IonicContact ND1-OD2 3.27Å; H91-D97 PolarHBondContact ND1-OD2 3.09Å; N92-D97 HydrophobicContact CB-CB 4.46Å; D97-S99 WeakPolarHBondContact OD1-CB 3.41Å; D97-S99 PolarHBondContact OD1-N 2.81Å; D97-S99 PolarHBondContact OD1-OG 3.29Å; D97-S99 PolarHBondContact OD2-OG 2.94Å; D97-R102 IonicContact OD2-NH2 2.65Å
98	G	95.1	Very high	95.1	Very high	24 Å²	24	65 Å²	65	25%	0.247	33%	0.326	C	S	.	.	S	Bend	trans	85.5	-0.4	-175.4	0	0	0	0	0	115.4	C96 H100 N101	C96-G98 PolarHBondContact SG-N 2.88Å; G98-H100 PolarHBondContact O-N 2.89Å; G98-H100 VanDerWaalsContact O-N 3.12Å; G98-N101 PolarHBondContact O-N 3.19Å
99	S	96.6	Very high	95.2	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.014	33%	0.326	C	S	.	.	H	α-helix	trans	-60.9	-23.4	-178.7	-61.2	0	0	0	0	114.3	F89 D97 N101 R102 E103	F89-S99 WeakPolarHBondContact O-CB 3.36Å; D97-S99 WeakPolarHBondContact OD1-CB 3.41Å; D97-S99 PolarHBondContact OD1-N 2.81Å; D97-S99 PolarHBondContact OD1-OG 3.29Å; D97-S99 PolarHBondContact OD2-OG 2.94Å; S99-N101 PolarHBondContact O-N 2.89Å; S99-R102 PolarHBondContact O-N 3.4Å; S99-R102 PolarHBondContact OG-NH2 3.13Å; S99-E103 WeakPolarHBondContact O-CG 3.31Å; S99-E103 PolarHBondContact O-N 2.87Å
100	H	95.4	Very high	95.2	Very high	17 Å²	17	62.1 Å²	62.1	8%	0.079	31%	0.313	C	S	.	.	H	α-helix	trans	-56.5	-32.5	172.4	60.5	-83.6	0	0	0	113.7	C87 C96 G98 N104 T105	C87-H100 HydrophobicContact CB-CB 4.07Å; C96-H100 PolarHBondContact SG-CE1 2.72Å; C96-H100 PolarHBondContact SG-ND1 2.88Å; G98-H100 PolarHBondContact O-N 2.89Å; G98-H100 VanDerWaalsContact O-N 3.12Å; H100-N104 PolarHBondContact O-N 2.9Å; H100-T105 WeakPolarHBondContact CA-OG1 3.19Å; H100-T105 VanDerWaalsContact CB-OG1 3.27Å; H100-T105 WeakPolarHBondContact CB-OG1 3.25Å; H100-T105 PolarHBondContact O-N 2.83Å; H100-T105 PolarHBondContact O-OG1 3.08Å
101	N	94.9	Very high	95.2	Very high	116 Å²	116	68.3 Å²	68.3	62%	0.62	34%	0.335	S	S	*	.	H	α-helix	trans	-75.1	-37.3	176.6	-65.2	-30.8	0	0	0	111.5	G98 S99 N104	G98-N101 PolarHBondContact O-N 3.19Å; S99-N101 PolarHBondContact O-N 2.89Å; N101-N104 PolarHBondContact O-N 3.09Å
102	R	94.3	Very high	95.3	Very high	172 Å²	172	62.5 Å²	62.5	65%	0.649	31%	0.306	S	S	*	.	H	α-helix	trans	-68.6	-41.3	179.7	-68.6	-175.5	-85.5	-174.5	-2.2	111.5	D97 S99 N104	D97-R102 IonicContact OD2-NH2 2.65Å; S99-R102 PolarHBondContact O-N 3.4Å; S99-R102 PolarHBondContact OG-NH2 3.13Å; R102-N104 PolarHBondContact O-N 3.05Å
103	E	93.3	Very high	95.4	Very high	108 Å²	108	57.7 Å²	57.7	51%	0.505	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	3.3	178.5	-59.9	-64.2	158.6	0	0	113	F89 S99 T105	F89-E103 HydrophobicContact CB-CG 3.86Å; F89-E103 HydrophobicContact CD1-CB 4.48Å; F89-E103 HydrophobicContact CD1-CG 3.72Å; F89-E103 HydrophobicContact CD2-CB 4.11Å; F89-E103 HydrophobicContact CD2-CG 4.08Å; F89-E103 HydrophobicContact CE1-CG 4.22Å; F89-E103 HydrophobicContact CE2-CB 4.34Å; F89-E103 HydrophobicContact CG-CB 4.19Å; F89-E103 HydrophobicContact CG-CG 3.63Å; S99-E103 WeakPolarHBondContact O-CG 3.31Å; S99-E103 PolarHBondContact O-N 2.87Å; E103-T105 HydrophobicContact CB-CG2 3.93Å; E103-T105 PolarHBondContact O-N 3.37Å; E103-T105 VanDerWaalsContact O-N 3.17Å
104	N	92.5	Very high	95.4	Very high	146 Å²	146	55.7 Å²	55.7	78%	0.781	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	41.2	-179.1	-164.8	28.5	0	0	0	113.8	H100 N101 R102	H100-N104 PolarHBondContact O-N 2.9Å; N101-N104 PolarHBondContact O-N 3.09Å; R102-N104 PolarHBondContact O-N 3.05Å
105	T	92.6	Very high	95.3	Very high	33 Å²	33	58.6 Å²	58.6	20%	0.202	29%	0.287	C	S	.	.			trans	-81.2	140.8	178.7	64.2	0	0	0	0	110.5	C87 F89 H100 E103 L107	C87-T105 HydrophobicContact CB-CG2 4.19Å; F89-T105 HydrophobicContact CD2-CG2 3.86Å; F89-T105 HydrophobicContact CE2-CG2 3.66Å; H100-T105 WeakPolarHBondContact CA-OG1 3.19Å; H100-T105 VanDerWaalsContact CB-OG1 3.27Å; H100-T105 WeakPolarHBondContact CB-OG1 3.25Å; H100-T105 PolarHBondContact O-N 2.83Å; H100-T105 PolarHBondContact O-OG1 3.08Å; E103-T105 HydrophobicContact CB-CG2 3.93Å; E103-T105 PolarHBondContact O-N 3.37Å; E103-T105 VanDerWaalsContact O-N 3.17Å; T105-L107 PolarHBondContact O-N 2.82Å; T105-L107 VanDerWaalsContact O-N 3.09Å
106	Q	93.1	Very high	95.2	Very high	147 Å²	147	62.6 Å²	62.6	69%	0.687	30%	0.304	S	S	*	.	S	Bend	trans	-69.9	-0.6	171.9	-62.8	-176.8	-0.6	0	0	113.4	M62	M62-Q106 HydrophobicContact CE-CB 4.17Å; M62-Q106 HydrophobicContact SD-CB 3.73Å; M62-Q106 HydrophobicContact SD-CG 4.42Å; M62-Q106 PolarHBondContact SD-OE1 2.7Å
107	L	95.3	Very high	95.2	Very high	9 Å²	9	66.6 Å²	66.6	5%	0.047	32%	0.323	C	S	.	.			trans	-89.4	129.5	-177.5	-72.6	170.9	0	0	0	111	L60 M62 C87 T105	L60-L107 HydrophobicContact CB-CD2 4.41Å; L60-L107 HydrophobicContact CD1-CD2 4.39Å; M62-L107 HydrophobicContact CB-CD2 3.86Å; M62-L107 HydrophobicContact CB-CG 4.35Å; M62-L107 WeakPolarHBondContact O-CD2 2.93Å; C87-L107 HydrophobicContact CB-CB 4.01Å; C87-L107 HydrophobicContact CB-CD1 4.35Å; T105-L107 PolarHBondContact O-N 2.82Å; T105-L107 VanDerWaalsContact O-N 3.09Å
108	L	95.7	Very high	95.1	Very high	75 Å²	75	65.7 Å²	65.7	39%	0.393	32%	0.321	S	S	.	.			trans	-108.4	150.1	178.4	-64	176.4	0	0	0	111.2	N57 L60 S86	N57-L108 HydrophobicContact CB-CB 4.21Å; N57-L108 WeakPolarHBondContact ND2-CB 3.34Å; L60-L108 HydrophobicContact CD1-CB 4.3Å; S86-L108 VanDerWaalsContact OG-C 3.29Å; S86-L108 PolarHBondContact OG-O 3.12Å
109	P	97	Very high	95.2	Very high	15 Å²	15	68 Å²	68	10%	0.097	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-62.4	138.4	179.7	25.1	-34.1	0	0	0	111.9	N57 W84 C96	N57-P109 PolarHBondContact ND2-O 3.11Å; W84-P109 CarbonylContact O-C 3.54Å; W84-P109 VanDerWaalsContact O-CA 3.29Å; W84-P109 WeakPolarHBondContact O-CA 3.46Å; C96-P109 HydrophobicContact CB-CB 3.69Å; C96-P109 HydrophobicContact CB-CG 4.44Å
110	V	97.3	Very high	95.2	Very high	1 Å²	1	68.8 Å²	68.8	1%	0.006	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	120.8	175.9	178.9	0	0	0	0	108.7	L53 N57 H58 W84 R131 P132	L53-V110 HydrophobicContact CD2-CG1 3.74Å; N57-V110 HydrophobicContact CB-CG2 4.38Å; H58-V110 HydrophobicContact CB-CG1 3.81Å; H58-V110 HydrophobicContact CB-CG2 4.18Å; W84-V110 HydrophobicContact CB-CB 4.47Å; W84-V110 HydrophobicContact CE3-CB 3.89Å; W84-V110 HydrophobicContact CE3-CG2 3.76Å; W84-V110 HydrophobicContact CZ3-CG2 4.04Å; W84-V110 PolarHBondContact N-O 3.45Å; W84-V110 PolarHBondContact O-N 2.78Å; V110-R131 HydrophobicContact CG2-CB 4.36Å; V110-P132 HydrophobicContact CG1-CB 4.5Å
111	R	96.9	Very high	95.3	Very high	138 Å²	138	74.4 Å²	74.4	52%	0.521	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	135.9	-178.2	-70.8	177.3	-173.2	138.9	1.3	110.2	Q54 Y82	Q54-R111 HydrophobicContact CB-CB 3.77Å; Q54-R111 HydrophobicContact CG-CB 4.21Å; Q54-R111 PolarHBondContact N-O 3.12Å; Y82-R111 CarbonylContact O-C 3.57Å; Y82-R111 WeakPolarHBondContact O-CA 3.28Å
112	Y	96.6	Very high	95.5	Very high	38 Å²	38	68.9 Å²	68.9	15%	0.149	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.5	178.8	-175.3	-90.8	0	0	0	110.3	G52 L53 M76 Y82 F133	G52-Y112 CarbonylContact O-C 3.58Å; G52-Y112 WeakPolarHBondContact O-CA 3.35Å; L53-Y112 HydrophobicContact CD2-CD2 4.13Å; L53-Y112 HydrophobicContact CG-CD2 4.27Å; M76-Y112 HydrophobicContact CE-CD1 3.58Å; M76-Y112 HydrophobicContact CE-CE1 3.9Å; M76-Y112 HydrophobicContact CE-CG 4.41Å; M76-Y112 HydrophobicContact SD-CD1 3.96Å; M76-Y112 HydrophobicContact SD-CE1 3.71Å; Y82-Y112 PolarHBondContact N-O 3.22Å; Y82-Y112 PolarHBondContact O-N 2.67Å; Y112-F133 HydrophobicContact CD1-CZ 4.47Å; Y112-F133 HydrophobicContact CD2-CE2 4.24Å; Y112-F133 HydrophobicContact CD2-CZ 4.07Å; Y112-F133 HydrophobicContact CE1-CZ 4.21Å; Y112-F133 AromaticContact CE2-CE2 3.9Å; Y112-F133 HydrophobicContact CE2-CE2 3.9Å; Y112-F133 AromaticContact CE2-CZ 3.77Å; Y112-F133 HydrophobicContact CE2-CZ 3.77Å; Y112-F133 HydrophobicContact CG-CZ 4.41Å; Y112-F133 AromaticContact CZ-CZ 3.85Å
113	I	95.8	Very high	95.6	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.6	177.1	-50.7	-171.6	0	0	0	108.7	R45 E49 Y51 G52 Q54 K80 K81	R45-I113 HydrophobicContact CB-CG2 4.02Å; R45-I113 HydrophobicContact CG-CD1 4.15Å; R45-I113 HydrophobicContact CG-CG2 3.9Å; E49-I113 HydrophobicContact CB-CD1 4.47Å; E49-I113 HydrophobicContact CG-CD1 3.54Å; E49-I113 WeakPolarHBondContact OE1-CD1 3.38Å; Y51-I113 HydrophobicContact CD1-CG2 3.99Å; G52-I113 PolarHBondContact N-O 2.91Å; G52-I113 PolarHBondContact O-N 3.04Å; Q54-I113 HydrophobicContact CG-CD1 3.75Å; Q54-I113 HydrophobicContact CG-CG1 3.65Å; K80-I113 WeakPolarHBondContact O-CA 3.36Å; K81-I113 HydrophobicContact CG-CD1 4.14Å; K81-I113 HydrophobicContact CG-CG1 4.02Å
114	S	95	Very high	95.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.277	C	S	.	.			trans	-81.1	132.4	-178.1	-153.1	0	0	0	0	111.9	Y51 Q77 D79 K80 K116	Y51-S114 WeakPolarHBondContact CD1-O 3.48Å; Y51-S114 WeakPolarHBondContact CE1-O 3.49Å; Q77-S114 VanDerWaalsContact O-CB 3.3Å; Q77-S114 WeakPolarHBondContact O-CB 3.27Å; D79-S114 PolarHBondContact N-O 3.33Å; K80-S114 PolarHBondContact O-N 2.78Å; S114-K116 PolarHBondContact OG-O 3.33Å
115	D	94.5	Very high	95.9	Very high	65 Å²	65	49.8 Å²	49.8	35%	0.348	24%	0.241	S	C	.	.	S	Bend	trans	-80.4	-22.7	172.9	64.8	-35.3	0	0	0	112.9	Y51 R78	Y51-D115 VanDerWaalsContact CD1-CA 3.43Å; Y51-D115 HydrophobicContact CD1-CB 3.91Å; Y51-D115 HydrophobicContact CD2-CB 4.41Å; Y51-D115 HydrophobicContact CE1-CB 4.44Å; Y51-D115 HydrophobicContact CG-CB 3.87Å; R78-D115 WeakPolarHBondContact CD-O 3.41Å; R78-D115 WeakPolarHBondContact CG-O 3.45Å; R78-D115 PolarHBondContact NE-O 3.46Å
116	K	94.7	Very high	96.1	Very high	120 Å²	120	48.3 Å²	48.3	52%	0.522	23%	0.231	S	C	.	.	S	Bend	trans	-148.3	163.1	-176.9	66	-165	170.9	-173.8	0	112.2	S114 C118	S114-K116 PolarHBondContact OG-O 3.33Å; K116-C118 HydrophobicContact CG-CB 4.17Å; K116-C118 PolarHBondContact O-N 2.66Å
117	D	96.2	Very high	96.2	Very high	118 Å²	118	43.5 Å²	43.5	63%	0.631	21%	0.209	S	C	*	.			trans	-71.9	116.5	168.2	-57.4	-30.1	0	0	0	108.4	M76 Q77 R78	M76-D117 VanDerWaalsContact O-CA 3.27Å; M76-D117 WeakPolarHBondContact O-CA 3.47Å; Q77-D117 WeakPolarHBondContact CA-OD1 3.27Å; R78-D117 PolarHBondContact N-OD1 3.43Å
118	C	95.6	Very high	96.2	Very high	34 Å²	34	43.1 Å²	43.1	23%	0.23	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	153.6	-178.7	60.9	0	0	0	0	112.5	M76 K116	M76-C118 WeakPolarHBondContact CB-O 3.25Å; M76-C118 PolarHBondContact N-O 3.29Å; M76-C118 PolarHBondContact O-N 3.5Å; K116-C118 HydrophobicContact CG-CB 4.17Å; K116-C118 PolarHBondContact O-N 2.66Å
119	T	96.9	Very high	96.2	Very high	73 Å²	73	48.2 Å²	48.2	45%	0.448	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	127.5	170.8	-60.7	0	0	0	0	109.4	K73 F74	K73-T119 HydrophobicContact CD-CG2 4.16Å; K73-T119 HydrophobicContact CG-CG2 3.72Å; F74-T119 WeakPolarHBondContact O-CA 3.38Å
120	V	96.5	Very high	96.1	Very high	18 Å²	18	52 Å²	52	11%	0.109	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	164.5	177.3	-59.2	0	0	0	0	111.5	F74 M76 F122 F133	F74-V120 HydrophobicContact CB-CG2 4.49Å; F74-V120 PolarHBondContact N-O 3.04Å; F74-V120 PolarHBondContact O-N 3.1Å; M76-V120 HydrophobicContact CE-CG1 4.45Å; M76-V120 HydrophobicContact CE-CG2 3.69Å; M76-V120 HydrophobicContact CG-CG1 4.43Å; M76-V120 HydrophobicContact CG-CG2 3.84Å; M76-V120 HydrophobicContact SD-CB 4.39Å; M76-V120 HydrophobicContact SD-CG1 3.73Å; M76-V120 HydrophobicContact SD-CG2 3.77Å; V120-F122 HydrophobicContact CG2-CD2 4.2Å; V120-F122 HydrophobicContact CG2-CE2 4Å; V120-F122 HydrophobicContact CG2-CZ 4.27Å; V120-F133 HydrophobicContact CB-CD1 4.13Å; V120-F133 HydrophobicContact CB-CE1 3.86Å; V120-F133 HydrophobicContact CG1-CE1 3.9Å; V120-F133 HydrophobicContact CG2-CE1 4.1Å
121	W	97.4	Very high	96	Very high	135 Å²	135	52.6 Å²	52.6	51%	0.511	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	106.5	174.5	-67.3	89.6	0	0	0	109.4	P71 K73 F133 C134	P71-W121 HydrophobicContact CB-CB 4.31Å; P71-W121 HydrophobicContact CB-CE3 4.02Å; P71-W121 HydrophobicContact CG-CE3 3.81Å; P71-W121 HydrophobicContact CG-CZ3 4.32Å; K73-W121 HydrophobicContact CB-CD2 4.3Å; K73-W121 HydrophobicContact CB-CE3 3.95Å; K73-W121 HydrophobicContact CB-CH2 3.91Å; K73-W121 HydrophobicContact CB-CZ2 4.22Å; K73-W121 HydrophobicContact CB-CZ3 3.76Å; K73-W121 HydrophobicContact CD-CH2 4.43Å; K73-W121 HydrophobicContact CD-CZ2 4.29Å; K73-W121 HydrophobicContact CG-CH2 4.35Å; K73-W121 HydrophobicContact CG-CZ2 4.19Å; W121-F133 WeakPolarHBondContact O-CA 3.41Å; W121-C134 HydrophobicContact CB-CB 4.21Å; W121-C134 PolarHBondContact O-N 2.83Å
122	F	97.6	Very high	96	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	143.9	177	-76.6	-61.5	0	0	0	111.7	P71 I72 F74 M76 W84 P94 F95 V120 N124 P132 F133	P71-F122 VanDerWaalsContact CA-O 3.31Å; P71-F122 WeakPolarHBondContact CA-O 3.29Å; P71-F122 WeakPolarHBondContact CB-O 3.46Å; I72-F122 PolarHBondContact N-O 2.8Å; I72-F122 PolarHBondContact O-N 3.3Å; F74-F122 HydrophobicContact CB-CD2 3.74Å; F74-F122 HydrophobicContact CB-CE2 3.86Å; F74-F122 AromaticContact CD1-CE2 3.89Å; F74-F122 HydrophobicContact CD1-CE2 3.89Å; F74-F122 HydrophobicContact CG-CD2 4.28Å; F74-F122 AromaticContact CG-CE2 3.98Å; F74-F122 HydrophobicContact CG-CE2 3.98Å; M76-F122 HydrophobicContact CE-CE1 3.61Å; M76-F122 HydrophobicContact CE-CE2 3.91Å; M76-F122 HydrophobicContact CE-CZ 3.11Å; W84-F122 AromaticContact CD1-CD1 3.87Å; P94-F122 HydrophobicContact CB-CB 3.79Å; P94-F122 HydrophobicContact CB-CD2 4.34Å; P94-F122 HydrophobicContact CB-CG 4.25Å; P94-F122 HydrophobicContact CG-CB 4.02Å; P94-F122 HydrophobicContact CG-CD2 3.72Å; P94-F122 HydrophobicContact CG-CE2 4.43Å; P94-F122 HydrophobicContact CG-CG 4.13Å; F95-F122 HydrophobicContact CE1-CD2 4.49Å; F95-F122 AromaticContact CE1-CE2 3.73Å; F95-F122 HydrophobicContact CE1-CE2 3.73Å; F95-F122 AromaticContact CE1-CZ 4Å; F95-F122 HydrophobicContact CE1-CZ 4Å; F95-F122 AromaticContact CZ-CE2 3.89Å; F95-F122 HydrophobicContact CZ-CE2 3.89Å; V120-F122 HydrophobicContact CG2-CD2 4.2Å; V120-F122 HydrophobicContact CG2-CE2 4Å; V120-F122 HydrophobicContact CG2-CZ 4.27Å; F122-N124 PolarHBondContact O-N 2.85Å; F122-P132 HydrophobicContact CD1-CB 3.94Å; F122-P132 HydrophobicContact CD1-CG 4.14Å; F122-P132 HydrophobicContact CE1-CB 3.98Å; F122-P132 HydrophobicContact CE1-CG 3.82Å; F122-F133 HydrophobicContact CD1-CD1 4.41Å; F122-F133 HydrophobicContact CE1-CE1 4.23Å
123	C	97.7	Very high	96	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.02	22%	0.224	C	C	.	.			trans	-70.3	124.1	173.8	179.2	0	0	0	0	110.8	W84 K126 T128 P132	W84-C123 HydrophobicContact CZ2-CB 3.81Å; W84-C123 WeakPolarHBondContact CZ2-O 3.36Å; W84-C123 PolarHBondContact NE1-O 2.82Å; C123-K126 PolarHBondContact O-NZ 3.39Å; C123-K126 VanDerWaalsContact O-NZ 3.11Å; C123-K126 PolarHBondContact SG-N 3.23Å; C123-T128 HydrophobicContact CB-CG2 3.47Å; C123-T128 VanDerWaalsContact CB-CG2 3.47Å; C123-T128 VanDerWaalsContact SG-CG2 3.56Å; C123-P132 PolarHBondContact N-O 3.35Å
124	N	96.3	Very high	96.1	Very high	21 Å²	21	47.8 Å²	47.8	11%	0.112	24%	0.235	C	C	.	.	S	Bend	trans	-101	-26.1	173.8	-157.3	19.5	0	0	0	112.8	A67 G68 L70 I72 F122 K126	A67-N124 WeakPolarHBondContact CB-O 3.5Å; A67-N124 PolarHBondContact N-O 2.89Å; G68-N124 PolarHBondContact N-O 3.18Å; G68-N124 CarbonylContact O-C 3.2Å; L70-N124 WeakPolarHBondContact O-CB 3.38Å; I72-N124 HydrophobicContact CD1-CB 4.28Å; I72-N124 HydrophobicContact CG1-CB 4.24Å; F122-N124 PolarHBondContact O-N 2.85Å; N124-K126 VanDerWaalsContact C-N 3.28Å; N124-K126 VanDerWaalsContact O-CE 3.28Å; N124-K126 WeakPolarHBondContact O-CE 3.16Å; N124-K126 PolarHBondContact O-N 3.16Å
125	C	95.6	Very high	96.2	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.014	25%	0.252	C	S	.	.	S	Bend	trans	-76.4	-15.3	-179	70.7	0	0	0	0	114	I66 G68 Q127 H138 L141	I66-C125 WeakPolarHBondContact CA-O 3.11Å; I66-C125 WeakPolarHBondContact CG1-O 3.48Å; I66-C125 HydrophobicContact CG2-CB 4.43Å; G68-C125 WeakPolarHBondContact O-CA 3.46Å; G68-C125 WeakPolarHBondContact O-CB 3.22Å; G68-C125 PolarHBondContact O-N 2.83Å; C125-Q127 WeakPolarHBondContact O-CG 3.39Å; C125-Q127 PolarHBondContact O-N 3.38Å; C125-Q127 PolarHBondContact O-NE2 3.4Å; C125-Q127 PolarHBondContact SG-N 3.25Å; C125-H138 HydrophobicContact CB-CB 3.99Å; C125-L141 HydrophobicContact CB-CD1 3.63Å
126	K	96.3	Very high	96.2	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	25%	0.246	C	C	.	.	S	Bend	trans	65.2	11.7	-179.2	-42.2	-50.7	177	-178.3	0	115.3	M63 K65 W84 C85 C123 N124	M63-K126 VanDerWaalsContact SD-O 3.36Å; K65-K126 WeakPolarHBondContact O-CG 3.15Å; W84-K126 HydrophobicContact CH2-CD 3.93Å; W84-K126 HydrophobicContact CZ2-CD 3.44Å; W84-K126 VanDerWaalsContact CZ2-CD 3.44Å; C85-K126 VanDerWaalsContact O-CD 3.25Å; C85-K126 WeakPolarHBondContact O-CD 3.18Å; C85-K126 WeakPolarHBondContact O-CE 3.49Å; C85-K126 PolarHBondContact O-NZ 3.5Å; C123-K126 PolarHBondContact O-NZ 3.39Å; C123-K126 VanDerWaalsContact O-NZ 3.11Å; C123-K126 PolarHBondContact SG-N 3.23Å; N124-K126 VanDerWaalsContact C-N 3.28Å; N124-K126 VanDerWaalsContact O-CE 3.28Å; N124-K126 WeakPolarHBondContact O-CE 3.16Å; N124-K126 PolarHBondContact O-N 3.16Å
127	Q	95.5	Very high	96.2	Very high	47 Å²	47	44.1 Å²	44.1	22%	0.22	23%	0.228	C	C	.	.			trans	-99.8	10.4	177.9	-50.5	-50.1	-46.4	0	0	113.6	M63 G64 I66 C125 S137 L141	M63-Q127 VanDerWaalsContact CB-OE1 3.27Å; G64-Q127 PolarHBondContact O-NE2 3.42Å; I66-Q127 HydrophobicContact CG1-CG 4.33Å; C125-Q127 WeakPolarHBondContact O-CG 3.39Å; C125-Q127 PolarHBondContact O-N 3.38Å; C125-Q127 PolarHBondContact O-NE2 3.4Å; C125-Q127 PolarHBondContact SG-N 3.25Å; Q127-S137 WeakPolarHBondContact O-CB 3.31Å; Q127-S137 PolarHBondContact O-OG 2.98Å; Q127-L141 HydrophobicContact CB-CD2 4.23Å; Q127-L141 HydrophobicContact CG-CD1 4.05Å; Q127-L141 HydrophobicContact CG-CD2 3.71Å
128	T	96.4	Very high	96.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.			trans	-70	138.6	179.2	-176.3	0	0	0	0	111.5	W84 C123 N130 R131 F133 D135	W84-T128 HydrophobicContact CH2-CG2 4.37Å; W84-T128 HydrophobicContact CZ2-CG2 4.49Å; C123-T128 HydrophobicContact CB-CG2 3.47Å; C123-T128 VanDerWaalsContact CB-CG2 3.47Å; C123-T128 VanDerWaalsContact SG-CG2 3.56Å; T128-N130 PolarHBondContact OG1-N 2.91Å; T128-R131 HydrophobicContact CG2-CB 4.33Å; T128-R131 HydrophobicContact CG2-CG 3.71Å; T128-F133 WeakPolarHBondContact CB-O 3.19Å; T128-F133 WeakPolarHBondContact CG2-O 3.34Å; T128-F133 PolarHBondContact OG1-O 2.94Å; T128-D135 WeakPolarHBondContact CA-OD1 3.47Å; T128-D135 PolarHBondContact OG1-OD1 3.05Å; T128-D135 PolarHBondContact OG1-OD2 3.25Å
129	K	94.4	Very high	96	Very high	183 Å²	183	46.6 Å²	46.6	80%	0.796	23%	0.23	S	C	*	.	S	Bend	trans	-80.3	-23	166.2	-62.5	-178.9	-178.4	178.1	0	111.6	D135	K129-D135 PolarHBondContact N-OD2 2.71Å
130	N	94.8	Very high	95.8	Very high	93 Å²	93	48.3 Å²	48.3	50%	0.497	24%	0.241	S	C	.	.	S	Bend	trans	-103.4	61.7	179.4	-170.8	19.5	0	0	0	111.8	T128 F133 D135	T128-N130 PolarHBondContact OG1-N 2.91Å; N130-F133 CarbonylContact O-C 3.6Å; N130-F133 WeakPolarHBondContact O-CA 3.48Å; N130-F133 PolarHBondContact O-N 2.91Å; N130-D135 HydrophobicContact CB-CB 4.14Å
131	R	95.5	Very high	95.4	Very high	14 Å²	14	49 Å²	49	5%	0.053	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	134.6	-178	-62.5	175.1	-170.9	-178.4	7.6	110.8	H58 L60 M62 M63 W84 V110 T128	H58-R131 HydrophobicContact CB-CB 4.26Å; L60-R131 PolarHBondContact O-NH1 2.89Å; L60-R131 PolarHBondContact O-NH2 3.47Å; L60-R131 VanDerWaalsContact O-NH2 3.1Å; M62-R131 PolarHBondContact O-NH1 3.37Å; M62-R131 PolarHBondContact O-NH2 3.2Å; M63-R131 PolarHBondContact SD-NH2 2.76Å; W84-R131 HydrophobicContact CH2-CG 4.25Å; W84-R131 HydrophobicContact CZ3-CB 4.25Å; W84-R131 HydrophobicContact CZ3-CG 4.08Å; V110-R131 HydrophobicContact CG2-CB 4.36Å; T128-R131 HydrophobicContact CG2-CB 4.33Å; T128-R131 HydrophobicContact CG2-CG 3.71Å
132	P	96.6	Very high	94.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	cis	-93.4	1.6	5.7	37.5	-39.4	0	0	0	115	W84 V110 F122 C123	W84-P132 HydrophobicContact CB-CB 3.53Å; W84-P132 HydrophobicContact CD2-CB 3.65Å; W84-P132 HydrophobicContact CE3-CB 4.09Å; W84-P132 HydrophobicContact CG-CB 3.4Å; W84-P132 VanDerWaalsContact CG-CB 3.4Å; V110-P132 HydrophobicContact CG1-CB 4.5Å; F122-P132 HydrophobicContact CD1-CB 3.94Å; F122-P132 HydrophobicContact CD1-CG 4.14Å; F122-P132 HydrophobicContact CE1-CB 3.98Å; F122-P132 HydrophobicContact CE1-CG 3.82Å; C123-P132 PolarHBondContact N-O 3.35Å
133	F	97.5	Very high	93.6	Very high	40 Å²	40	54 Å²	54	18%	0.175	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-83.8	158.3	-170.2	-57.1	-64.2	0	0	0	112.6	M76 Y112 V120 W121 F122 T128 N130	M76-F133 HydrophobicContact CE-CE1 3.98Å; M76-F133 HydrophobicContact CE-CZ 4.31Å; Y112-F133 HydrophobicContact CD1-CZ 4.47Å; Y112-F133 HydrophobicContact CD2-CE2 4.24Å; Y112-F133 HydrophobicContact CD2-CZ 4.07Å; Y112-F133 HydrophobicContact CE1-CZ 4.21Å; Y112-F133 AromaticContact CE2-CE2 3.9Å; Y112-F133 HydrophobicContact CE2-CE2 3.9Å; Y112-F133 AromaticContact CE2-CZ 3.77Å; Y112-F133 HydrophobicContact CE2-CZ 3.77Å; Y112-F133 HydrophobicContact CG-CZ 4.41Å; Y112-F133 AromaticContact CZ-CZ 3.85Å; V120-F133 HydrophobicContact CB-CD1 4.13Å; V120-F133 HydrophobicContact CB-CE1 3.86Å; V120-F133 HydrophobicContact CG1-CE1 3.9Å; V120-F133 HydrophobicContact CG2-CE1 4.1Å; W121-F133 WeakPolarHBondContact O-CA 3.41Å; F122-F133 HydrophobicContact CD1-CD1 4.41Å; F122-F133 HydrophobicContact CE1-CE1 4.23Å; T128-F133 WeakPolarHBondContact CB-O 3.19Å; T128-F133 WeakPolarHBondContact CG2-O 3.34Å; T128-F133 PolarHBondContact OG1-O 2.94Å; N130-F133 CarbonylContact O-C 3.6Å; N130-F133 WeakPolarHBondContact O-CA 3.48Å; N130-F133 PolarHBondContact O-N 2.91Å
134	C	97.4	Very high	92.2	Very high	37 Å²	37	62.9 Å²	62.9	25%	0.25	32%	0.317	C	S	.	.			trans	-73.2	129.6	174.1	-172.6	0	0	0	0	111	P71 W121 H138	P71-C134 HydrophobicContact CB-CB 3.76Å; P71-C134 HydrophobicContact CG-CB 4.45Å; W121-C134 HydrophobicContact CB-CB 4.21Å; W121-C134 PolarHBondContact O-N 2.83Å; C134-H138 PolarHBondContact SG-CE1 2.71Å; C134-H138 PolarHBondContact SG-ND1 2.89Å; C134-H138 VanDerWaalsContact SG-ND1 3.38Å
135	D	96.3	Very high	90.7	Very high	64 Å²	64	64.9 Å²	64.9	34%	0.342	33%	0.328	S	S	.	.			trans	-113.9	4.6	175.4	64.9	-11.9	0	0	0	112.8	T128 K129 N130 S137	T128-D135 WeakPolarHBondContact CA-OD1 3.47Å; T128-D135 PolarHBondContact OG1-OD1 3.05Å; T128-D135 PolarHBondContact OG1-OD2 3.25Å; K129-D135 PolarHBondContact N-OD2 2.71Å; N130-D135 HydrophobicContact CB-CB 4.14Å; D135-S137 WeakPolarHBondContact OD1-CB 3.36Å; D135-S137 PolarHBondContact OD1-N 3.01Å; D135-S137 PolarHBondContact OD1-OG 3.21Å; D135-S137 PolarHBondContact OD2-OG 2.91Å
136	G	95.1	Very high	88.8	Confident	22 Å²	22	70.5 Å²	70.5	23%	0.227	35%	0.352	C	S	.	.	S	Bend	trans	86.2	-0.9	-175.3	0	0	0	0	0	115.5	H138 K139	G136-H138 PolarHBondContact O-N 2.99Å; G136-K139 WeakPolarHBondContact O-CB 3.16Å; G136-K139 WeakPolarHBondContact O-CG 3.12Å; G136-K139 PolarHBondContact O-N 3.46Å
137	S	95.3	Very high	86.8	Confident	22 Å²	22	75.4 Å²	75.4	15%	0.154	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-58.5	-19	178.9	-66.1	0	0	0	0	113.8	Q127 D135 K139 T140	Q127-S137 WeakPolarHBondContact O-CB 3.31Å; Q127-S137 PolarHBondContact O-OG 2.98Å; D135-S137 WeakPolarHBondContact OD1-CB 3.36Å; D135-S137 PolarHBondContact OD1-N 3.01Å; D135-S137 PolarHBondContact OD1-OG 3.21Å; D135-S137 PolarHBondContact OD2-OG 2.91Å; S137-K139 PolarHBondContact O-N 3.38Å; S137-T140 PolarHBondContact O-N 3.25Å; S137-T140 PolarHBondContact O-OG1 2.88Å
138	H	93.4	Very high	86.4	Confident	32 Å²	32	76.8 Å²	76.8	15%	0.148	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-65.8	-20.5	173.8	64.7	-91.2	0	0	0	114.1	R69 C125 C134 G136 T140 L141	R69-H138 WeakPolarHBondContact O-CB 3.45Å; R69-H138 PolarHBondContact O-CD2 2.93Å; R69-H138 VanDerWaalsContact O-CD2 3.25Å; C125-H138 HydrophobicContact CB-CB 3.99Å; C134-H138 PolarHBondContact SG-CE1 2.71Å; C134-H138 PolarHBondContact SG-ND1 2.89Å; C134-H138 VanDerWaalsContact SG-ND1 3.38Å; G136-H138 PolarHBondContact O-N 2.99Å; H138-T140 VanDerWaalsContact C-N 3.32Å; H138-L141 HydrophobicContact CB-CD1 4.39Å
139	K	93.3	Very high	85.8	Confident	171 Å²	171	80.8 Å²	80.8	74%	0.743	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-75	-22.6	-179.2	-63.3	-179.2	179.6	-179.2	0	113	G136 S137 L141	G136-K139 WeakPolarHBondContact O-CB 3.16Å; G136-K139 WeakPolarHBondContact O-CG 3.12Å; G136-K139 PolarHBondContact O-N 3.46Å; S137-K139 PolarHBondContact O-N 3.38Å; K139-L141 VanDerWaalsContact C-N 3.35Å
140	T	92	Very high	85.4	Confident	110 Å²	110	75.2 Å²	75.2	68%	0.675	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-91.3	-0.5	180	56.8	0	0	0	0	112.8	S137 H138	S137-T140 PolarHBondContact O-N 3.25Å; S137-T140 PolarHBondContact O-OG1 2.88Å; H138-T140 VanDerWaalsContact C-N 3.32Å
141	L	88.9	Confident	84.8	Confident	33 Å²	33	74.1 Å²	74.1	17%	0.173	41%	0.408	C	S	.	.	S	Bend	trans	-76.1	134.3	179.2	-55.7	178.8	0	0	0	110	I66 C125 Q127 H138 K139	I66-L141 HydrophobicContact CD1-CD1 3.87Å; I66-L141 HydrophobicContact CD1-CD2 4.46Å; I66-L141 HydrophobicContact CG1-CD1 4.16Å; C125-L141 HydrophobicContact CB-CD1 3.63Å; Q127-L141 HydrophobicContact CB-CD2 4.23Å; Q127-L141 HydrophobicContact CG-CD1 4.05Å; Q127-L141 HydrophobicContact CG-CD2 3.71Å; H138-L141 HydrophobicContact CB-CD1 4.39Å; K139-L141 VanDerWaalsContact C-N 3.35Å
142	F	83.5	Confident	84.1	Confident	150 Å²	150	77.9 Å²	77.9	66%	0.658	43%	0.431	S	S	*	.			trans	-72.3	152.7	-179.8	-70.9	-77.9	0	0	0	110.5	R69 F144 D145	R69-F142 PolarHBondContact NH2-O 2.94Å; R69-F142 VanDerWaalsContact NH2-O 3.17Å; F142-F144 PolarHBondContact O-N 3.17Å; F142-D145 PolarHBondContact N-OD2 3.3Å; F142-D145 PolarHBondContact O-N 2.94Å
143	P	73.2	Confident	83.3	Confident	89 Å²	89	83.1 Å²	83.1	58%	0.578	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-14.3	-179.1	-26.2	34.8	0	0	0	115.3	R69	R69-P143 PolarHBondContact NH2-O 2.76Å
144	F	69.7	Low	82.3	Confident	189 Å²	189	86.1 Å²	86.1	83%	0.829	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	4.1	-176.6	-69.4	-77.1	0	0	0	115.3	F142 F146	F142-F144 PolarHBondContact O-N 3.17Å; F144-F146 PolarHBondContact O-N 3.43Å
145	D	63.9	Low	81.1	Confident	64 Å²	64	89.9 Å²	89.9	34%	0.342	50%	0.497	S	S	.	.			trans	-75	16.2	-176.5	-58.3	-25.7	0	0	0	114.4	I66 F142 G147	I66-D145 HydrophobicContact CD1-CB 3.48Å; I66-D145 VanDerWaalsContact CD1-CB 3.48Å; I66-D145 WeakPolarHBondContact CD1-O 3.39Å; F142-D145 PolarHBondContact N-OD2 3.3Å; F142-D145 PolarHBondContact O-N 2.94Å; D145-G147 PolarHBondContact O-N 2.95Å
146	F	56.5	Low	79.8	Confident	119 Å²	119	92.1 Å²	92.1	52%	0.522	51%	0.51	S	S	.	.			trans	-86.4	78.3	169	-66.9	-66.5	0	0	0	109.4	I66 R69 F144	I66-F146 HydrophobicContact CG2-CE1 4.35Å; R69-F146 HydrophobicContact CG-CE1 4.36Å; R69-F146 HydrophobicContact CG-CZ 3.82Å; R69-F146 VanDerWaalsContact NH2-CD2 3.29Å; F144-F146 PolarHBondContact O-N 3.43Å
147	G	53.4	Low	78.5	Confident	104 Å²	104	98.5 Å²	98.5	100%	1.072	54%	0.536	S	S	*	.			trans	-82.2	0	163.8	0	0	0	0	0	112.8	K65 D145	K65-G147 WeakPolarHBondContact CE-O 2.94Å; K65-G147 PolarHBondContact NZ-O 2.8Å; K65-G147 PolarHBondContact NZ-OXT 2.75Å; K65-G147 VanDerWaalsContact NZ-OXT 3.08Å; D145-G147 PolarHBondContact O-N 2.95Å

Retrieved 147 of 147 residues in 198.2 ms (Link to these results)

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