A0AA82MSR0_SCHMA Loading...

Putative phosphoglucomutase

AlphaFold DB (A0A3Q0KQQ5), UniProt , Accession A0AA82MSR0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 165 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	41	Very low	43.5	Very low	231 Å²	231	166.3 Å²	166.3	100%	1.138	84%	0.84	S	S	*	*				0	96.2	0	-64.4	178.8	104.7	0	0	107.9
2	Y	43.1	Very low	43.4	Very low	234 Å²	234	165.8 Å²	165.8	92%	0.918	84%	0.841	S	S	*	*			trans	-136.7	117.7	162	-78.6	-76.1	0	0	0	105.6
3	N	38.9	Very low	43.2	Very low	161 Å²	161	168.5 Å²	168.5	86%	0.861	84%	0.843	S	S	*	*			trans	-75.2	135.8	-170.2	-83.8	-39.3	0	0	0	111
4	F	42.1	Very low	43.7	Very low	215 Å²	215	168.4 Å²	168.4	94%	0.943	84%	0.844	S	S	*	*			trans	-68.4	121.4	160.5	-97.2	-102.3	0	0	0	108.9
5	S	46.1	Very low	43.6	Very low	93 Å²	93	173.3 Å²	173.3	65%	0.65	85%	0.848	S	S	*	*			trans	-147.7	129.1	158.8	51.7	0	0	0	0	108.5
6	E	43.2	Very low	43.3	Very low	180 Å²	180	169.6 Å²	169.6	84%	0.841	85%	0.845	S	S	*	*			trans	80.8	73.3	155.4	-57.3	167.4	-163.1	0	0	118.7
7	I	49.9	Very low	43.3	Very low	173 Å²	173	167.2 Å²	167.2	89%	0.887	85%	0.847	S	S	*	*			trans	-138.1	106.8	135.7	-52.9	179.8	0	0	0	108.6
8	S	43.2	Very low	43.5	Very low	96 Å²	96	164.6 Å²	164.6	67%	0.671	84%	0.84	S	S	*	*			trans	-66.1	146	-179.1	56.6	0	0	0	0	113.2	F10	S8-F10 PolarHBondContact O-N 3.46Å
9	P	44.8	Very low	43.7	Very low	123 Å²	123	165.4 Å²	165.4	80%	0.799	85%	0.846	S	S	*	*			trans	-84.4	112.2	172.2	33.4	-27.5	0	0	0	109.3
10	F	44.3	Very low	43.9	Very low	182 Å²	182	164.3 Å²	164.3	80%	0.798	84%	0.841	S	S	*	*			trans	-122.4	98.2	165.2	-125.1	-98	0	0	0	108.5	S8	S8-F10 PolarHBondContact O-N 3.46Å
11	L	41.6	Very low	44	Very low	141 Å²	141	161.6 Å²	161.6	74%	0.738	83%	0.834	S	S	*	*			trans	19.5	115.7	132.8	-72.1	158.7	0	0	0	115
12	L	42	Very low	44.1	Very low	161 Å²	161	160.3 Å²	160.3	84%	0.843	83%	0.825	S	S	*	*			trans	-168	96.7	130.6	-97.8	146.3	0	0	0	110.6	I14	L12-I14 PolarHBondContact O-N 3.47Å
13	K	41.8	Very low	44.2	Very low	200 Å²	200	154.4 Å²	154.4	87%	0.87	82%	0.817	S	S	*	*			trans	17.8	97.5	145.5	-75.9	170.5	172.9	171.3	0	116.4	R15	K13-R15 PolarHBondContact O-N 3.44Å
14	I	49.4	Very low	44.5	Very low	167 Å²	167	150.9 Å²	150.9	86%	0.856	82%	0.818	S	S	*	*			trans	-82.3	111.2	154.2	-60.9	173.9	0	0	0	106.9	L12 S16	L12-I14 PolarHBondContact O-N 3.47Å; I14-S16 PolarHBondContact O-N 3.36Å
15	R	42.6	Very low	44.7	Very low	242 Å²	242	143.9 Å²	143.9	91%	0.913	81%	0.807	S	S	*	*			trans	-62.5	121.3	170.6	-89.4	177.9	151	164.1	-6.1	109.4	K13	K13-R15 PolarHBondContact O-N 3.44Å
16	S	38.3	Very low	45.3	Very low	114 Å²	114	150 Å²	150	80%	0.797	82%	0.816	S	S	*	*			trans	-78.6	111.1	168.7	51.6	0	0	0	0	110.2	I14	I14-S16 PolarHBondContact O-N 3.36Å
17	C	43.7	Very low	46.2	Very low	129 Å²	129	151.4 Å²	151.4	87%	0.872	82%	0.815	S	S	*	*			trans	-155.1	75.7	157.3	-96.7	0	0	0	0	108
18	V	47.7	Very low	46.4	Very low	121 Å²	121	150 Å²	150	73%	0.733	80%	0.802	S	S	*	*			trans	-118.9	104	158.6	-170.7	0	0	0	0	105.9	L20	V18-L20 VanDerWaalsContact C-N 3.26Å; V18-L20 HydrophobicContact CG1-CD2 4.18Å; V18-L20 HydrophobicContact CG1-CG 3.81Å; V18-L20 PolarHBondContact O-N 3.01Å
19	L	46	Very low	47	Very low	180 Å²	180	149.2 Å²	149.2	94%	0.942	80%	0.795	S	S	*	*			trans	-69.7	91.1	164.7	-77.5	162.7	0	0	0	106.7
20	L	47.4	Very low	47.7	Very low	142 Å²	142	149.4 Å²	149.4	74%	0.743	80%	0.796	S	S	*	*			trans	-82	124	168.6	-77.9	165.3	0	0	0	108.1	V18 H22	V18-L20 VanDerWaalsContact C-N 3.26Å; V18-L20 HydrophobicContact CG1-CD2 4.18Å; V18-L20 HydrophobicContact CG1-CG 3.81Å; V18-L20 PolarHBondContact O-N 3.01Å; L20-H22 PolarHBondContact O-N 3.33Å
21	P	46.3	Very low	48.6	Very low	109 Å²	109	144.5 Å²	144.5	71%	0.708	80%	0.797	S	S	*	*			trans	-60.5	131.2	175.7	24.9	-31.5	0	0	0	109.5	C23	P21-C23 PolarHBondContact O-N 3.18Å
22	H	44.2	Very low	49.6	Very low	204 Å²	204	141.4 Å²	141.4	94%	0.944	78%	0.784	S	S	*	*			trans	-71.5	92.8	178.9	-140.7	66.9	0	0	0	108.9	L20	L20-H22 PolarHBondContact O-N 3.33Å
23	C	45.1	Very low	50.4	Low	109 Å²	109	141.3 Å²	141.3	74%	0.736	78%	0.784	S	S	*	*			trans	-116.4	121.6	159.3	51.5	0	0	0	0	107.2	P21 G25	P21-C23 PolarHBondContact O-N 3.18Å; C23-G25 PolarHBondContact O-N 2.95Å
24	G	45.3	Very low	51.2	Low	87 Å²	87	141.3 Å²	141.3	90%	0.897	78%	0.78	S	S	*	*			trans	-66.3	60.8	-163.9	0	0	0	0	0	116.4
25	G	46	Very low	51.8	Low	68 Å²	68	138.2 Å²	138.2	70%	0.701	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-77.4	119.8	168.8	0	0	0	0	0	110.5	C23 Y27	C23-G25 PolarHBondContact O-N 2.95Å; G25-Y27 PolarHBondContact O-N 3.29Å
26	R	59.1	Low	53.1	Low	221 Å²	221	128.8 Å²	128.8	83%	0.834	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-59.1	126.8	167.1	-62	-178.8	-166.7	-161.2	2.5	108.4	F28	R26-F28 HydrophobicContact CB-CE2 4.48Å; R26-F28 WeakPolarHBondContact O-CD2 3.33Å; R26-F28 PolarHBondContact O-N 3.34Å
27	Y	60.7	Low	54.8	Low	211 Å²	211	128.5 Å²	128.5	83%	0.827	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-59.2	116.8	172.1	-173	-93.7	0	0	0	108.9	G25	G25-Y27 PolarHBondContact O-N 3.29Å
28	F	54.9	Low	56.2	Low	142 Å²	142	127 Å²	127	62%	0.623	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-95.4	126.7	171.9	-82.1	-85.1	0	0	0	108.9	R26	R26-F28 HydrophobicContact CB-CE2 4.48Å; R26-F28 WeakPolarHBondContact O-CD2 3.33Å; R26-F28 PolarHBondContact O-N 3.34Å
29	P	56.3	Low	57.3	Low	81 Å²	81	125.6 Å²	125.6	53%	0.526	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-62.2	147.9	175.5	25.7	-32.4	0	0	0	110.7	G31 T32	P29-G31 PolarHBondContact O-N 3.19Å; P29-T32 PolarHBondContact O-OG1 2.71Å
30	P	60	Low	58.4	Low	126 Å²	126	121.7 Å²	121.7	82%	0.818	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	126.6	175.2	23.6	-31.4	0	0	0	110
31	G	62.3	Low	60.1	Low	79 Å²	79	117.7 Å²	117.7	81%	0.814	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	123.7	-22.5	-178.2	0	0	0	0	0	114.5	P29 L33	P29-G31 PolarHBondContact O-N 3.19Å; G31-L33 PolarHBondContact O-N 3.01Å
32	T	62.5	Low	61.6	Low	77 Å²	77	114.7 Å²	114.7	47%	0.472	61%	0.613	S	S	.	*			trans	-77.7	101	169.1	19.3	0	0	0	0	110.4	P29 Y34	P29-T32 PolarHBondContact O-OG1 2.71Å; T32-Y34 PolarHBondContact O-N 3.09Å; T32-Y34 VanDerWaalsContact O-N 3.16Å
33	L	58.3	Low	63.3	Low	158 Å²	158	114 Å²	114	83%	0.827	61%	0.61	S	S	*	*			trans	-55.8	118.7	170.7	-72.8	170.1	0	0	0	109.6	G31 R35	G31-L33 PolarHBondContact O-N 3.01Å; L33-R35 PolarHBondContact O-N 3.16Å; L33-R35 VanDerWaalsContact O-N 3.09Å
34	Y	58.2	Low	65.2	Low	201 Å²	201	114.3 Å²	114.3	79%	0.788	61%	0.605	S	S	*	*			trans	-62.7	109.1	171.9	179.1	-95.6	0	0	0	108.7	T32 P36	T32-Y34 PolarHBondContact O-N 3.09Å; T32-Y34 VanDerWaalsContact O-N 3.16Å; Y34-P36 HydrophobicContact CE1-CB 4.44Å
35	R	63.3	Low	66.6	Low	102 Å²	102	114.2 Å²	114.2	39%	0.385	59%	0.589	S	S	.	*			trans	-93.9	124.1	166	-60.9	-170.8	83.1	168.2	3.2	107.9	L33 E39	L33-R35 PolarHBondContact O-N 3.16Å; L33-R35 VanDerWaalsContact O-N 3.09Å; R35-E39 HydrophobicContact CB-CB 4.31Å; R35-E39 IonicContact CZ-OE2 3.46Å; R35-E39 IonicContact NE-OE2 2.86Å; R35-E39 PolarHBondContact NE-OE2 2.86Å; R35-E39 IonicContact NH2-OE2 3.15Å; R35-E39 PolarHBondContact NH2-OE2 3.15Å; R35-E39 VanDerWaalsContact NH2-OE2 3.15Å
36	P	68.9	Low	68.3	Low	44 Å²	44	117 Å²	117	29%	0.286	58%	0.584	S	S	.	*			trans	-56.2	152.3	177.9	22.7	-31.8	0	0	0	110.8	Y34 T38 E39	Y34-P36 HydrophobicContact CE1-CB 4.44Å; P36-T38 PolarHBondContact O-N 3.02Å; P36-T38 VanDerWaalsContact O-N 3.1Å; P36-E39 WeakPolarHBondContact CD-OE1 3.2Å; P36-E39 HydrophobicContact CG-CB 4.35Å; P36-E39 HydrophobicContact CG-CG 3.91Å; P36-E39 WeakPolarHBondContact CG-OE1 3.33Å; P36-E39 WeakPolarHBondContact O-CB 3.33Å; P36-E39 PolarHBondContact O-N 2.91Å
37	H	73.7	Confident	69.3	Low	108 Å²	108	115.1 Å²	115.1	50%	0.5	58%	0.577	S	S	.	*	H	α-helix	trans	-51.2	-39.6	-175.9	-177.1	82.2	0	0	0	112.3	E39 R40 F41	H37-E39 PolarHBondContact O-N 3.42Å; H37-R40 PolarHBondContact O-N 2.8Å; H37-F41 AromaticContact CE1-CD2 3.35Å; H37-F41 WeakPolarHBondContact CE1-CD2 3.41Å; H37-F41 AromaticContact CE1-CG 3.81Å; H37-F41 AromaticContact ND1-CD2 3.31Å; H37-F41 VanDerWaalsContact ND1-CD2 3.31Å; H37-F41 WeakPolarHBondContact ND1-CD2 3.35Å; H37-F41 AromaticContact ND1-CE2 3.88Å; H37-F41 PolarHBondContact O-N 2.86Å
38	T	73.2	Confident	70.2	Confident	98 Å²	98	109.6 Å²	109.6	60%	0.601	56%	0.557	S	S	*	*	H	α-helix	trans	-61.9	-23.1	177.9	50.8	0	0	0	0	114.9	P36 K48	P36-T38 PolarHBondContact O-N 3.02Å; P36-T38 VanDerWaalsContact O-N 3.1Å; T38-K48 PolarHBondContact O-NZ 3.23Å
39	E	71.3	Confident	71.1	Confident	90 Å²	90	108.5 Å²	108.5	42%	0.421	56%	0.564	S	S	.	*	H	α-helix	trans	-85.6	-22.4	174.6	-78.6	-177.3	-141.3	0	0	112.8	R35 P36 H37	R35-E39 HydrophobicContact CB-CB 4.31Å; R35-E39 IonicContact CZ-OE2 3.46Å; R35-E39 IonicContact NE-OE2 2.86Å; R35-E39 PolarHBondContact NE-OE2 2.86Å; R35-E39 IonicContact NH2-OE2 3.15Å; R35-E39 PolarHBondContact NH2-OE2 3.15Å; R35-E39 VanDerWaalsContact NH2-OE2 3.15Å; P36-E39 WeakPolarHBondContact CD-OE1 3.2Å; P36-E39 HydrophobicContact CG-CB 4.35Å; P36-E39 HydrophobicContact CG-CG 3.91Å; P36-E39 WeakPolarHBondContact CG-OE1 3.33Å; P36-E39 WeakPolarHBondContact O-CB 3.33Å; P36-E39 PolarHBondContact O-N 2.91Å; H37-E39 PolarHBondContact O-N 3.42Å
40	R	70.2	Confident	71.8	Confident	99 Å²	99	111.5 Å²	111.5	37%	0.374	58%	0.575	S	S	.	*	H	α-helix	trans	-98.5	-32.6	-174.3	-127.2	-175	-163	122	-0.6	112.2	H37 R47 K48	H37-R40 PolarHBondContact O-N 2.8Å; R40-R47 WeakPolarHBondContact O-CA 3.31Å; R40-K48 PolarHBondContact O-N 3.03Å
41	F	81.2	Confident	71.8	Confident	57 Å²	57	109.2 Å²	109.2	25%	0.25	56%	0.561	C	S	.	*	B	Isolated β-bridge	trans	-128.8	145.6	-173.6	-56.8	-79.4	0	0	0	111.4	H37 C45 E46 K48	H37-F41 AromaticContact CE1-CD2 3.35Å; H37-F41 WeakPolarHBondContact CE1-CD2 3.41Å; H37-F41 AromaticContact CE1-CG 3.81Å; H37-F41 AromaticContact ND1-CD2 3.31Å; H37-F41 VanDerWaalsContact ND1-CD2 3.31Å; H37-F41 WeakPolarHBondContact ND1-CD2 3.35Å; H37-F41 AromaticContact ND1-CE2 3.88Å; H37-F41 PolarHBondContact O-N 2.86Å; F41-C45 WeakPolarHBondContact CD1-O 2.94Å; F41-E46 CarbonylContact C-O 3.52Å; F41-E46 WeakPolarHBondContact CA-O 3.4Å; F41-K48 WeakPolarHBondContact O-CE 3.28Å; F41-K48 PolarHBondContact O-NZ 2.91Å
42	D	77.8	Confident	71.5	Confident	47 Å²	47	110.2 Å²	110.2	25%	0.251	54%	0.544	S	S	.	.			trans	-80	-177.3	168.7	65.7	16.7	0	0	0	111.8	N44 C45 E46 K48	D42-N44 PolarHBondContact O-N 3.49Å; D42-N44 WeakPolarHBondContact OD1-CA 3.46Å; D42-N44 WeakPolarHBondContact OD1-CB 3.31Å; D42-N44 PolarHBondContact OD1-N 3.23Å; D42-C45 PolarHBondContact O-N 3.04Å; D42-C45 VanDerWaalsContact O-N 3.08Å; D42-C45 PolarHBondContact OD1-N 2.8Å; D42-E46 PolarHBondContact N-O 2.9Å; D42-E46 PolarHBondContact OD1-N 3.1Å; D42-K48 HydrophobicContact CB-CG 4.15Å
43	E	81.8	Confident	71.5	Confident	188 Å²	188	112.9 Å²	112.9	88%	0.879	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-19.7	179.1	59.8	-169.4	162.8	0	0	113.4	C45	E43-C45 VanDerWaalsContact C-N 3.34Å
44	N	84.8	Confident	71.5	Confident	117 Å²	117	113.1 Å²	113.1	63%	0.626	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	8.5	175.7	-63	-29.6	0	0	0	112.9	D42 E46	D42-N44 PolarHBondContact O-N 3.49Å; D42-N44 WeakPolarHBondContact OD1-CA 3.46Å; D42-N44 WeakPolarHBondContact OD1-CB 3.31Å; D42-N44 PolarHBondContact OD1-N 3.23Å; N44-E46 HydrophobicContact CB-CG 4.23Å; N44-E46 PolarHBondContact O-N 3.1Å
45	C	74.3	Confident	71.5	Confident	85 Å²	85	106.7 Å²	106.7	57%	0.574	54%	0.541	S	S	*	.	S	Bend	trans	60.6	18.9	-172.7	-67.6	0	0	0	0	114.4	F41 D42 E43	F41-C45 WeakPolarHBondContact CD1-O 2.94Å; D42-C45 PolarHBondContact O-N 3.04Å; D42-C45 VanDerWaalsContact O-N 3.08Å; D42-C45 PolarHBondContact OD1-N 2.8Å; E43-C45 VanDerWaalsContact C-N 3.34Å
46	E	81.5	Confident	71.1	Confident	126 Å²	126	106.1 Å²	106.1	59%	0.589	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-85.5	148.4	173.4	-59.3	-172.2	173.8	0	0	110.3	F41 D42 N44 K48	F41-E46 CarbonylContact C-O 3.52Å; F41-E46 WeakPolarHBondContact CA-O 3.4Å; D42-E46 PolarHBondContact N-O 2.9Å; D42-E46 PolarHBondContact OD1-N 3.1Å; N44-E46 HydrophobicContact CB-CG 4.23Å; N44-E46 PolarHBondContact O-N 3.1Å; E46-K48 PolarHBondContact O-N 3.02Å
47	R	79.1	Confident	70.1	Confident	182 Å²	182	112.9 Å²	112.9	69%	0.687	57%	0.57	S	S	*	*	B	Isolated β-bridge	trans	-69.7	118.9	-177.5	-176.7	-179.8	-68.6	-119.9	2.4	109.3	R40	R40-R47 WeakPolarHBondContact O-CA 3.31Å
48	K	79.6	Confident	69.2	Low	94 Å²	94	116.3 Å²	116.3	41%	0.409	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-58.5	133.3	174.5	-71.9	-179	174.9	171.8	0	109.9	T38 R40 F41 D42 E46 L50	T38-K48 PolarHBondContact O-NZ 3.23Å; R40-K48 PolarHBondContact O-N 3.03Å; F41-K48 WeakPolarHBondContact O-CE 3.28Å; F41-K48 PolarHBondContact O-NZ 2.91Å; D42-K48 HydrophobicContact CB-CG 4.15Å; E46-K48 PolarHBondContact O-N 3.02Å; K48-L50 PolarHBondContact O-N 3.03Å
49	P	75.7	Confident	68.4	Low	119 Å²	119	119.1 Å²	119.1	77%	0.773	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-58.1	141.7	174.4	23.7	-32	0	0	0	109.6
50	L	69.2	Low	67.6	Low	145 Å²	145	121.9 Å²	121.9	76%	0.759	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-61	134.1	173.3	-69.1	172.4	0	0	0	108	K48 H52	K48-L50 PolarHBondContact O-N 3.03Å; L50-H52 PolarHBondContact O-N 2.96Å
51	P	61.6	Low	66.9	Low	78 Å²	78	122.1 Å²	122.1	51%	0.506	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-58.6	129	177	23.9	-32.1	0	0	0	108.6
52	H	56.1	Low	65.6	Low	99 Å²	99	121.5 Å²	121.5	46%	0.458	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-58.3	142.5	178.6	75.5	-62.8	0	0	0	110.1	L50 E54 T55	L50-H52 PolarHBondContact O-N 2.96Å; H52-E54 PolarHBondContact O-N 2.76Å; H52-T55 WeakPolarHBondContact CE1-CB 3.44Å; H52-T55 WeakPolarHBondContact CE1-CG2 2.85Å; H52-T55 PolarHBondContact CE1-N 2.81Å; H52-T55 VanDerWaalsContact CE1-N 3.33Å; H52-T55 PolarHBondContact CE1-OG1 3.19Å; H52-T55 PolarHBondContact ND1-OG1 3.19Å; H52-T55 PolarHBondContact NE2-N 3.06Å; H52-T55 PolarHBondContact O-N 3.33Å; H52-T55 VanDerWaalsContact O-N 3.1Å; H52-T55 PolarHBondContact O-OG1 2.71Å
53	P	61.4	Low	64.4	Low	134 Å²	134	125.7 Å²	125.7	87%	0.87	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-18.8	-174.6	24.3	-33.8	0	0	0	113.3
54	E	59.4	Low	63.3	Low	162 Å²	162	120 Å²	120	76%	0.757	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-6.4	-178.6	-48	174.4	165	0	0	113.5	H52 P56	H52-E54 PolarHBondContact O-N 2.76Å; E54-P56 WeakPolarHBondContact O-CD 2.71Å; E54-P56 VanDerWaalsContact O-N 3.17Å
55	T	56.7	Low	62.2	Low	66 Å²	66	116.4 Å²	116.4	41%	0.405	60%	0.599	S	S	.	*	S	Bend	trans	-72.2	108.9	170.1	7.2	0	0	0	0	108.5	H52 R57	H52-T55 WeakPolarHBondContact CE1-CB 3.44Å; H52-T55 WeakPolarHBondContact CE1-CG2 2.85Å; H52-T55 PolarHBondContact CE1-N 2.81Å; H52-T55 VanDerWaalsContact CE1-N 3.33Å; H52-T55 PolarHBondContact CE1-OG1 3.19Å; H52-T55 PolarHBondContact ND1-OG1 3.19Å; H52-T55 PolarHBondContact NE2-N 3.06Å; H52-T55 PolarHBondContact O-N 3.33Å; H52-T55 VanDerWaalsContact O-N 3.1Å; H52-T55 PolarHBondContact O-OG1 2.71Å; T55-R57 PolarHBondContact O-N 3.04Å
56	P	55.1	Low	61.8	Low	90 Å²	90	117.6 Å²	117.6	58%	0.584	61%	0.606	S	S	*	*			trans	-58.7	116.1	163.7	25.9	-32.1	0	0	0	105.8	E54 F58	E54-P56 WeakPolarHBondContact O-CD 2.71Å; E54-P56 VanDerWaalsContact O-N 3.17Å; P56-F58 HydrophobicContact CG-CD2 4.43Å; P56-F58 HydrophobicContact CG-CE2 3.98Å; P56-F58 PolarHBondContact O-N 3.11Å
57	R	49.2	Very low	61.2	Low	187 Å²	187	121.3 Å²	121.3	71%	0.706	61%	0.614	S	S	*	*			trans	-61.1	90	167.8	-78.5	-172.2	-170	177	5.7	106.3	T55 Q59	T55-R57 PolarHBondContact O-N 3.04Å; R57-Q59 PolarHBondContact O-N 2.9Å
58	F	54.1	Low	61	Low	179 Å²	179	116 Å²	116	79%	0.785	60%	0.6	S	S	*	*			trans	-51.2	128.8	158.1	-77	-81	0	0	0	105.6	P56 E60	P56-F58 HydrophobicContact CG-CD2 4.43Å; P56-F58 HydrophobicContact CG-CE2 3.98Å; P56-F58 PolarHBondContact O-N 3.11Å; F58-E60 PolarHBondContact O-N 3.4Å
59	Q	57.3	Low	61	Low	158 Å²	158	116.7 Å²	116.7	74%	0.738	60%	0.603	S	S	*	*			trans	-40.7	121.4	-175.7	-68.1	177.8	-9.5	0	0	108.2	R57 L61	R57-Q59 PolarHBondContact O-N 2.9Å; Q59-L61 PolarHBondContact O-N 3.4Å
60	E	53.2	Low	61.5	Low	148 Å²	148	111.8 Å²	111.8	69%	0.692	57%	0.571	S	S	*	*			trans	-35.2	103	-178.8	-67.7	169.1	-173.5	0	0	108.5	F58 P62	F58-E60 PolarHBondContact O-N 3.4Å; E60-P62 VanDerWaalsContact O-N 3.12Å
61	L	56.5	Low	62.4	Low	103 Å²	103	110.5 Å²	110.5	54%	0.539	56%	0.559	S	S	.	*			trans	-57.4	128.1	176.3	-73.8	179.1	0	0	0	104.3	Q59 V63 I126 P147	Q59-L61 PolarHBondContact O-N 3.4Å; L61-V63 PolarHBondContact O-N 2.66Å; L61-I126 HydrophobicContact CD2-CD1 4.34Å; L61-P147 HydrophobicContact CD1-CG 3.89Å
62	P	54.2	Low	63.9	Low	44 Å²	44	107.4 Å²	107.4	29%	0.286	54%	0.538	S	S	.	.			trans	-56.4	117.3	-179.5	23.5	-32.1	0	0	0	106.4	E60 T64 R121	E60-P62 VanDerWaalsContact O-N 3.12Å; P62-T64 VanDerWaalsContact C-N 3.27Å; P62-T64 PolarHBondContact O-N 3.25Å; P62-R121 HydrophobicContact CB-CB 3.94Å; P62-R121 WeakPolarHBondContact CB-O 2.91Å; P62-R121 WeakPolarHBondContact CG-O 3.27Å
63	V	52.4	Low	65.6	Low	136 Å²	136	104.6 Å²	104.6	82%	0.824	53%	0.532	S	S	*	.			trans	-55.6	100.8	174.6	178.5	0	0	0	0	105.5	L61 D65	L61-V63 PolarHBondContact O-N 2.66Å; V63-D65 PolarHBondContact O-N 3.27Å
64	T	57.5	Low	67.1	Low	67 Å²	67	98.9 Å²	98.9	41%	0.411	50%	0.497	S	S	.	.			trans	-70.6	123.1	172.5	43.5	0	0	0	0	105.2	P62	P62-T64 VanDerWaalsContact C-N 3.27Å; P62-T64 PolarHBondContact O-N 3.25Å
65	D	62.2	Low	68.5	Low	42 Å²	42	92.3 Å²	92.3	23%	0.225	47%	0.466	C	S	.	.			trans	-52.8	126.6	168.3	-173.8	-29.8	0	0	0	107.1	V63 R67 N68	V63-D65 PolarHBondContact O-N 3.27Å; D65-R67 VanDerWaalsContact CG-NE 3.33Å; D65-R67 PolarHBondContact O-N 2.84Å; D65-R67 VanDerWaalsContact OD1-CB 3.26Å; D65-R67 WeakPolarHBondContact OD1-CB 3.25Å; D65-R67 VanDerWaalsContact OD1-CG 3.26Å; D65-R67 WeakPolarHBondContact OD1-CG 3.45Å; D65-R67 IonicContact OD1-CZ 3.86Å; D65-R67 PolarHBondContact OD1-N 2.93Å; D65-R67 IonicContact OD1-NE 2.95Å; D65-R67 PolarHBondContact OD1-NE 3.23Å; D65-R67 IonicContact OD1-NH2 3.92Å; D65-R67 IonicContact OD2-CZ 3.2Å; D65-R67 IonicContact OD2-NE 2.95Å; D65-R67 PolarHBondContact OD2-NE 2.76Å; D65-R67 IonicContact OD2-NH2 2.66Å; D65-R67 PolarHBondContact OD2-NH2 3.49Å; D65-N68 HydrophobicContact CB-CB 4.41Å; D65-N68 CarbonylContact O-C 3.58Å; D65-N68 WeakPolarHBondContact O-CA 3.45Å; D65-N68 PolarHBondContact O-N 3.21Å
66	P	65.8	Low	70.2	Confident	111 Å²	111	98.6 Å²	98.6	72%	0.721	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-18.8	-179.6	22.3	-34.1	0	0	0	112.6
67	R	68.5	Low	72	Confident	203 Å²	203	95.8 Å²	95.8	77%	0.766	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-30.2	173.1	-59.7	177.5	-69.9	-175.7	0.7	113	D65 K69	D65-R67 VanDerWaalsContact CG-NE 3.33Å; D65-R67 PolarHBondContact O-N 2.84Å; D65-R67 VanDerWaalsContact OD1-CB 3.26Å; D65-R67 WeakPolarHBondContact OD1-CB 3.25Å; D65-R67 VanDerWaalsContact OD1-CG 3.26Å; D65-R67 WeakPolarHBondContact OD1-CG 3.45Å; D65-R67 IonicContact OD1-CZ 3.86Å; D65-R67 PolarHBondContact OD1-N 2.93Å; D65-R67 IonicContact OD1-NE 2.95Å; D65-R67 PolarHBondContact OD1-NE 3.23Å; D65-R67 IonicContact OD1-NH2 3.92Å; D65-R67 IonicContact OD2-CZ 3.2Å; D65-R67 IonicContact OD2-NE 2.95Å; D65-R67 PolarHBondContact OD2-NE 2.76Å; D65-R67 IonicContact OD2-NH2 2.66Å; D65-R67 PolarHBondContact OD2-NH2 3.49Å; R67-K69 PolarHBondContact O-N 2.76Å
68	N	75.6	Confident	74.2	Confident	71 Å²	71	89.6 Å²	89.6	38%	0.38	45%	0.445	S	S	.	.	S	Bend	trans	-101.6	70.4	-178.5	-72.2	-9	0	0	0	110.9	D65 E122	D65-N68 HydrophobicContact CB-CB 4.41Å; D65-N68 CarbonylContact O-C 3.58Å; D65-N68 WeakPolarHBondContact O-CA 3.45Å; D65-N68 PolarHBondContact O-N 3.21Å; N68-E122 PolarHBondContact ND2-OE2 3.28Å
69	K	79	Confident	76.1	Confident	109 Å²	109	84.8 Å²	84.8	47%	0.474	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-69.4	139.4	171.9	-66.3	-174.1	178.8	-178.3	0	110.6	R67 E158	R67-K69 PolarHBondContact O-N 2.76Å; K69-E158 IonicContact NZ-OE1 3.89Å; K69-E158 IonicContact NZ-OE2 3.85Å; K69-E158 PolarHBondContact NZ-OE2 3.34Å
70	P	86.4	Confident	77.8	Confident	16 Å²	16	78.5 Å²	78.5	10%	0.104	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-63.8	156.7	174.4	25.7	-32.9	0	0	0	111.8	S92 F123 K142 Q143	P70-S92 WeakPolarHBondContact CB-O 3.23Å; P70-F123 HydrophobicContact CB-CD1 4.49Å; P70-F123 HydrophobicContact CB-CE1 3.91Å; P70-K142 HydrophobicContact CB-CB 3.79Å; P70-K142 HydrophobicContact CG-CB 3.6Å; P70-K142 WeakPolarHBondContact CG-O 3.48Å; P70-Q143 PolarHBondContact O-NE2 2.9Å
71	K	88.8	Confident	79.8	Confident	117 Å²	117	76.5 Å²	76.5	51%	0.509	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-68.9	136.2	176.5	-178	176.8	176.7	-178.8	0	109.7	A73 C93 G94 H95	K71-A73 PolarHBondContact O-N 2.91Å; K71-C93 PolarHBondContact N-O 3.05Å; K71-G94 WeakPolarHBondContact O-CA 3.41Å; K71-H95 WeakPolarHBondContact CB-NE2 3.44Å; K71-H95 VanDerWaalsContact CD-CE1 3.45Å; K71-H95 WeakPolarHBondContact CD-CE1 3.4Å
72	I	92.3	Very high	81.5	Confident	14 Å²	14	71.6 Å²	71.6	7%	0.072	36%	0.364	C	S	.	.			trans	-74.1	115.2	172.9	-53.3	-167.8	0	0	0	107.9	G74 C141 V159 K162 I163	I72-G74 WeakPolarHBondContact CG2-O 3.33Å; I72-C141 HydrophobicContact CG2-CB 4.18Å; I72-V159 HydrophobicContact CD1-CB 4.08Å; I72-V159 HydrophobicContact CD1-CG1 4.05Å; I72-V159 HydrophobicContact CD1-CG2 3.93Å; I72-V159 HydrophobicContact CG2-CG1 4.03Å; I72-K162 HydrophobicContact CD1-CB 4.04Å; I72-K162 HydrophobicContact CD1-CD 3.68Å; I72-K162 HydrophobicContact CD1-CG 4.28Å; I72-K162 HydrophobicContact CG1-CD 4.09Å; I72-I163 HydrophobicContact CB-CD1 4.45Å; I72-I163 HydrophobicContact CG2-CD1 3.7Å; I72-I163 HydrophobicContact CG2-CG1 4.44Å
73	A	92.2	Very high	83.4	Confident	39 Å²	39	74.8 Å²	74.8	32%	0.322	38%	0.375	S	S	.	.			trans	-84.8	-35	178.8	0	0	0	0	0	111.9	K71 G94 Q99 T140	K71-A73 PolarHBondContact O-N 2.91Å; A73-G94 WeakPolarHBondContact CB-O 3.16Å; A73-Q99 HydrophobicContact CB-CG 3.88Å; A73-T140 VanDerWaalsContact CB-O 3.3Å; A73-T140 WeakPolarHBondContact CB-O 3.3Å; A73-T140 PolarHBondContact N-O 3.48Å
74	G	92.1	Very high	85.5	Confident	14 Å²	14	70.9 Å²	70.9	14%	0.144	35%	0.353	C	S	.	.			trans	-161	166.5	179.8	0	0	0	0	0	111.7	I72 T140 C141	I72-G74 WeakPolarHBondContact CG2-O 3.33Å; G74-T140 PolarHBondContact N-O 3.25Å; G74-T140 CarbonylContact O-C 3.58Å; G74-T140 PolarHBondContact O-OG1 3.23Å; G74-C141 VanDerWaalsContact O-CA 3.3Å; G74-C141 WeakPolarHBondContact O-CA 3.4Å; G74-C141 WeakPolarHBondContact O-CB 3.45Å; G74-C141 PolarHBondContact O-N 3.5Å
75	K	90	Very high	87.1	Confident	24 Å²	24	74 Å²	74	10%	0.104	37%	0.367	C	S	.	.	S	Bend	trans	-94.3	-21.3	177.5	-68	171.7	165.1	-167.2	0	113.5	H154 V159 Q160 I163 Y165	K75-H154 WeakPolarHBondContact O-CB 3.49Å; K75-H154 PolarHBondContact O-CD2 2.62Å; K75-V159 HydrophobicContact CG-CG1 4.49Å; K75-Q160 WeakPolarHBondContact CE-O 3.15Å; K75-Q160 PolarHBondContact NZ-O 3.49Å; K75-I163 HydrophobicContact CD-CB 4.29Å; K75-I163 WeakPolarHBondContact CE-O 3.19Å; K75-I163 HydrophobicContact CG-CB 4.34Å; K75-I163 HydrophobicContact CG-CD1 4.27Å; K75-I163 PolarHBondContact NZ-O 2.65Å; K75-Y165 HydrophobicContact CD-CE2 3.81Å
76	R	91.3	Very high	88.6	Confident	198 Å²	198	75.8 Å²	75.8	75%	0.747	37%	0.374	S	S	*	.	S	Bend	trans	-110.6	135.2	-174.7	-59.1	-178.7	78.7	172.9	3.9	109.7	T140	R76-T140 WeakPolarHBondContact O-CG2 3.36Å; R76-T140 PolarHBondContact O-OG1 3.26Å
77	P	94.3	Very high	89.9	Confident	31 Å²	31	73.7 Å²	73.7	20%	0.201	36%	0.359	C	S	.	.			trans	-64.3	156.5	172.5	29.5	-35	0	0	0	110.8	W137 F138 C150	P77-W137 HydrophobicContact CB-CB 4.39Å; P77-W137 HydrophobicContact CB-CE3 4.09Å; P77-W137 HydrophobicContact CG-CE3 3.88Å; P77-W137 HydrophobicContact CG-CZ3 4.43Å; P77-F138 VanDerWaalsContact CA-O 3.3Å; P77-F138 WeakPolarHBondContact CA-O 3.47Å; P77-F138 WeakPolarHBondContact CB-O 3.33Å; P77-C150 HydrophobicContact CB-CB 3.76Å; P77-C150 HydrophobicContact CG-CB 4.34Å
78	I	94.5	Very high	91	Very high	58 Å²	58	65.3 Å²	65.3	30%	0.297	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.1	176.5	-63.6	167.3	0	0	0	108.1	V80 Q99 P100 F138 T140	I78-V80 HydrophobicContact CG2-CG2 3.89Å; I78-Q99 HydrophobicContact CD1-CB 3.95Å; I78-P100 HydrophobicContact CD1-CB 4.5Å; I78-F138 PolarHBondContact N-O 3.01Å; I78-F138 VanDerWaalsContact N-O 3.09Å; I78-F138 PolarHBondContact O-N 3.09Å; I78-T140 HydrophobicContact CB-CG2 4.45Å; I78-T140 HydrophobicContact CD1-CG2 3.58Å; I78-T140 HydrophobicContact CG1-CG2 3.64Å
79	H	93.9	Very high	91.9	Very high	77 Å²	77	67.5 Å²	67.5	36%	0.356	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	127.9	171.4	-179.9	-110.2	0	0	0	110.2	E135 W137	H79-E135 IonicContact NE2-OE2 2.87Å; H79-W137 HydrophobicContact CB-CD2 4.07Å; H79-W137 HydrophobicContact CB-CE3 3.83Å; H79-W137 HydrophobicContact CB-CH2 3.74Å; H79-W137 HydrophobicContact CB-CZ2 3.94Å; H79-W137 HydrophobicContact CB-CZ3 3.68Å; H79-W137 AromaticContact CD2-CE2 3.68Å; H79-W137 AromaticContact CD2-CZ2 3.9Å; H79-W137 AromaticContact CD2-NE1 3.74Å
80	V	93.7	Very high	92.6	Very high	27 Å²	27	62.6 Å²	62.6	16%	0.164	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	131.2	177.3	-177.8	0	0	0	0	109.6	I78 P100 F101 V136 F138	I78-V80 HydrophobicContact CG2-CG2 3.89Å; V80-P100 HydrophobicContact CG2-CG 4.25Å; V80-F101 HydrophobicContact CG1-CZ 4.2Å; V80-V136 PolarHBondContact N-O 2.82Å; V80-V136 PolarHBondContact O-N 3.31Å; V80-F138 HydrophobicContact CB-CD2 3.93Å; V80-F138 HydrophobicContact CB-CE2 3.84Å; V80-F138 HydrophobicContact CG1-CE2 4.3Å; V80-F138 HydrophobicContact CG2-CD2 3.77Å; V80-F138 HydrophobicContact CG2-CE2 4.12Å
81	I	94.6	Very high	92.9	Very high	106 Å²	106	61.9 Å²	61.9	54%	0.544	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.3	168.4	-53.7	176.1	0	0	0	106.9	E135	I81-E135 HydrophobicContact CG1-CG 4.3Å
82	C	93.4	Very high	92.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.4	-179	-60.4	0	0	0	0	109.8	Y88 Y130 P133 S134	C82-Y88 HydrophobicContact CB-CE2 3.8Å; C82-Y130 HydrophobicContact CB-CD2 3.51Å; C82-Y130 HydrophobicContact CB-CE2 3.67Å; C82-Y130 HydrophobicContact CB-CG 4.07Å; C82-Y130 VanDerWaalsContact SG-CE2 3.54Å; C82-P133 VanDerWaalsContact O-CA 3.31Å; C82-P133 WeakPolarHBondContact O-CA 3.39Å; C82-S134 WeakPolarHBondContact CB-O 3.3Å; C82-S134 PolarHBondContact N-O 2.92Å; C82-S134 PolarHBondContact O-N 3.34Å
83	E	94	Very high	92.7	Very high	110 Å²	110	56.8 Å²	56.8	51%	0.514	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-82.8	148.6	177.1	-67.4	-176.1	175.6	0	0	111.3	Q86 Y88	E83-Q86 HydrophobicContact CB-CG 4.03Å; E83-Q86 VanDerWaalsContact OE2-CD 3.29Å; E83-Q86 PolarHBondContact OE2-NE2 2.91Å; E83-Y88 PolarHBondContact N-OH 3.34Å
84	P	94.8	Very high	92.6	Very high	55 Å²	55	55.1 Å²	55.1	36%	0.357	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	146.9	177.6	29	-35.7	0	0	0	111.3	Q86 Y130 E131	P84-Q86 PolarHBondContact O-N 2.76Å; P84-Q86 VanDerWaalsContact O-N 3.11Å; P84-Y130 CarbonylContact C-O 3.56Å; P84-Y130 WeakPolarHBondContact CA-O 3.19Å; P84-E131 VanDerWaalsContact CB-O 3.28Å; P84-E131 WeakPolarHBondContact CB-O 3.11Å
85	N	92.4	Very high	92.4	Very high	133 Å²	133	57.7 Å²	57.7	71%	0.711	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	10.9	178.8	-57.8	-50.1	0	0	0	115.8	Y130	N85-Y130 PolarHBondContact N-O 2.8Å
86	Q	92.5	Very high	92.5	Very high	79 Å²	79	57 Å²	57	37%	0.369	28%	0.278	S	S	.	.			trans	-89.2	142.8	171.5	-69.7	-165.6	-8.4	0	0	112	E83 P84 Y88	E83-Q86 HydrophobicContact CB-CG 4.03Å; E83-Q86 VanDerWaalsContact OE2-CD 3.29Å; E83-Q86 PolarHBondContact OE2-NE2 2.91Å; P84-Q86 PolarHBondContact O-N 2.76Å; P84-Q86 VanDerWaalsContact O-N 3.11Å; Q86-Y88 HydrophobicContact CB-CD2 4.48Å; Q86-Y88 HydrophobicContact CB-CE2 3.72Å; Q86-Y88 PolarHBondContact OE1-OH 3.1Å
87	V	93	Very high	92.4	Very high	66 Å²	66	55.7 Å²	55.7	40%	0.4	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.1	177.3	-175.8	0	0	0	0	109.2	W89 R127 L128 V129	V87-W89 HydrophobicContact CG1-CZ2 4.27Å; V87-R127 HydrophobicContact CG1-CG 3.76Å; V87-L128 WeakPolarHBondContact CA-O 3.48Å; V87-V129 HydrophobicContact CG2-CG2 4.12Å
88	Y	93.2	Very high	92.3	Very high	28 Å²	28	63.1 Å²	63.1	11%	0.11	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	141	173.8	-58.1	-81.1	0	0	0	110.7	C82 E83 Q86 F101 L128 Y130	C82-Y88 HydrophobicContact CB-CE2 3.8Å; E83-Y88 PolarHBondContact N-OH 3.34Å; Q86-Y88 HydrophobicContact CB-CD2 4.48Å; Q86-Y88 HydrophobicContact CB-CE2 3.72Å; Q86-Y88 PolarHBondContact OE1-OH 3.1Å; Y88-F101 HydrophobicContact CD1-CD1 4.38Å; Y88-F101 AromaticContact CD1-CE1 3.54Å; Y88-F101 HydrophobicContact CD1-CE1 3.54Å; Y88-F101 HydrophobicContact CD1-CE2 4.49Å; Y88-F101 AromaticContact CD1-CZ 3.59Å; Y88-F101 HydrophobicContact CD1-CZ 3.59Å; Y88-F101 HydrophobicContact CE1-CZ 4.15Å; Y88-F101 AromaticContact CG-CE1 3.98Å; Y88-F101 HydrophobicContact CG-CE1 3.98Å; Y88-F101 HydrophobicContact CG-CZ 4.4Å; Y88-L128 PolarHBondContact N-O 2.64Å; Y88-L128 PolarHBondContact O-N 2.76Å; Y88-Y130 AromaticContact CD2-CD2 3.83Å; Y88-Y130 HydrophobicContact CD2-CD2 3.83Å; Y88-Y130 AromaticContact CD2-CE2 3.84Å; Y88-Y130 HydrophobicContact CD2-CE2 3.84Å; Y88-Y130 AromaticContact CE2-CD2 3.94Å; Y88-Y130 HydrophobicContact CE2-CD2 3.94Å; Y88-Y130 HydrophobicContact CE2-CE2 4.26Å
89	W	93.2	Very high	92.1	Very high	116 Å²	116	62.5 Å²	62.5	44%	0.439	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	102.8	176.9	-66.5	97.9	0	0	0	109.7	V87 F101 C102 P125 I126 R127	V87-W89 HydrophobicContact CG1-CZ2 4.27Å; W89-F101 CarbonylContact O-C 3.47Å; W89-F101 VanDerWaalsContact O-CA 3.23Å; W89-F101 WeakPolarHBondContact O-CA 3.14Å; W89-C102 HydrophobicContact CB-CB 4.22Å; W89-C102 PolarHBondContact O-N 3.08Å; W89-P125 HydrophobicContact CE3-CB 4.27Å; W89-P125 HydrophobicContact CE3-CG 4.19Å; W89-I126 CarbonylContact C-O 3.6Å; W89-I126 WeakPolarHBondContact CA-O 3.41Å; W89-R127 HydrophobicContact CE3-CB 3.95Å; W89-R127 HydrophobicContact CE3-CG 4.42Å; W89-R127 HydrophobicContact CH2-CB 3.83Å; W89-R127 HydrophobicContact CH2-CG 3.87Å; W89-R127 HydrophobicContact CZ2-CB 4.47Å; W89-R127 HydrophobicContact CZ2-CG 4.08Å; W89-R127 HydrophobicContact CZ3-CB 3.53Å; W89-R127 HydrophobicContact CZ3-CG 4.05Å
90	W	94	Very high	92.1	Very high	7 Å²	7	59 Å²	59	3%	0.027	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	134.8	178.9	-179.7	86.7	0	0	0	111.3	S92 P125 I126 L128 F138 C139 K142 T144 P147 P148	W90-S92 PolarHBondContact O-N 2.92Å; W90-P125 VanDerWaalsContact O-CA 3.25Å; W90-P125 WeakPolarHBondContact O-CA 3.13Å; W90-P125 WeakPolarHBondContact O-CB 3.16Å; W90-I126 HydrophobicContact CB-CB 4.49Å; W90-I126 HydrophobicContact CE3-CB 4.29Å; W90-I126 HydrophobicContact CE3-CD1 3.71Å; W90-I126 HydrophobicContact CE3-CG1 4.03Å; W90-I126 HydrophobicContact CZ3-CD1 3.79Å; W90-I126 HydrophobicContact CZ3-CG1 4.43Å; W90-I126 PolarHBondContact N-O 3.1Å; W90-I126 PolarHBondContact O-N 3.14Å; W90-L128 HydrophobicContact CB-CD1 4.05Å; W90-F138 AromaticContact CD1-CD1 3.96Å; W90-C139 HydrophobicContact CZ2-CB 4.06Å; W90-C139 PolarHBondContact NE1-O 3.14Å; W90-C139 VanDerWaalsContact NE1-O 3.11Å; W90-K142 VanDerWaalsContact CE2-NZ 3.34Å; W90-K142 HydrophobicContact CH2-CD 3.76Å; W90-K142 HydrophobicContact CZ2-CD 3.4Å; W90-T144 HydrophobicContact CH2-CG2 4.5Å; W90-P147 HydrophobicContact CH2-CB 4Å; W90-P147 HydrophobicContact CZ3-CB 3.9Å; W90-P148 HydrophobicContact CB-CB 3.92Å; W90-P148 HydrophobicContact CD2-CB 3.74Å; W90-P148 HydrophobicContact CE3-CB 4.3Å; W90-P148 HydrophobicContact CG-CB 3.55Å; W90-P148 PolarHBondContact NE1-O 2.68Å
91	C	92.6	Very high	92.1	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.007	29%	0.286	C	S	.	.			trans	-78.4	119	179.9	176.4	0	0	0	0	111.1	C93 G94 S96 P100 C102 K142	C91-C93 PolarHBondContact SG-SG 2.82Å; C91-G94 PolarHBondContact SG-N 2.95Å; C91-G94 VanDerWaalsContact SG-N 3.38Å; C91-S96 VanDerWaalsContact SG-CB 3.57Å; C91-P100 WeakPolarHBondContact CB-O 3.25Å; C91-P100 PolarHBondContact N-O 3.37Å; C91-P100 VanDerWaalsContact N-O 3.1Å; C91-C102 HydrophobicContact CB-CB 4.27Å; C91-K142 VanDerWaalsContact O-CD 3.22Å; C91-K142 WeakPolarHBondContact O-CD 3.34Å; C91-K142 WeakPolarHBondContact O-CE 3.44Å; C91-K142 PolarHBondContact O-NZ 2.74Å
92	S	89.5	Confident	92	Very high	19 Å²	19	56.9 Å²	56.9	13%	0.133	27%	0.269	C	S	.	.	S	Bend	trans	-89.7	-25.4	174	52.8	0	0	0	0	113.6	P70 W90 F123 K124	P70-S92 WeakPolarHBondContact CB-O 3.23Å; W90-S92 PolarHBondContact O-N 2.92Å; S92-F123 VanDerWaalsContact OG-C 3.26Å; S92-F123 PolarHBondContact OG-O 3.33Å; S92-K124 PolarHBondContact OG-O 2.96Å
93	C	87.8	Confident	91.9	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.034	28%	0.284	C	S	.	.	S	Bend	trans	-77.9	-27	-175.2	70.8	0	0	0	0	114.7	K71 C91 H95 H106 F123	K71-C93 PolarHBondContact N-O 3.05Å; C91-C93 PolarHBondContact SG-SG 2.82Å; C93-H95 VanDerWaalsContact C-N 3.34Å; C93-H95 PolarHBondContact O-CD2 3.5Å; C93-H95 VanDerWaalsContact O-CD2 3.28Å; C93-H95 PolarHBondContact SG-N 2.88Å; C93-H106 HydrophobicContact CB-CB 3.98Å; C93-F123 HydrophobicContact CB-CB 3.91Å; C93-F123 HydrophobicContact CB-CD1 4.14Å; C93-F123 HydrophobicContact CB-CG 4.08Å
94	G	89.6	Confident	91.5	Very high	4 Å²	4	55.5 Å²	55.5	4%	0.041	27%	0.272	C	S	.	.	S	Bend	trans	80.6	2.3	-175.1	0	0	0	0	0	116.3	K71 A73 C91 Q99	K71-G94 WeakPolarHBondContact O-CA 3.41Å; A73-G94 WeakPolarHBondContact CB-O 3.16Å; C91-G94 PolarHBondContact SG-N 2.95Å; C91-G94 VanDerWaalsContact SG-N 3.38Å; G94-Q99 PolarHBondContact O-NE2 3.14Å
95	H	88.9	Confident	91.1	Very high	68 Å²	68	54.8 Å²	54.8	32%	0.315	26%	0.264	S	S	.	.			trans	-99	2	180	-68	-102.8	0	0	0	114.9	K71 C93 I109	K71-H95 WeakPolarHBondContact CB-NE2 3.44Å; K71-H95 VanDerWaalsContact CD-CE1 3.45Å; K71-H95 WeakPolarHBondContact CD-CE1 3.4Å; C93-H95 VanDerWaalsContact C-N 3.34Å; C93-H95 PolarHBondContact O-CD2 3.5Å; C93-H95 VanDerWaalsContact O-CD2 3.28Å; C93-H95 PolarHBondContact SG-N 2.88Å; H95-I109 HydrophobicContact CB-CD1 3.23Å; H95-I109 HydrophobicContact CB-CG1 4.46Å; H95-I109 WeakPolarHBondContact CD2-CD1 3.21Å
96	S	91.6	Very high	90.5	Very high	9 Å²	9	49.9 Å²	49.9	6%	0.063	24%	0.236	C	C	.	.			trans	-62.2	141.7	174.4	-165.5	0	0	0	0	110.5	C91 Q99 F101 D103	C91-S96 VanDerWaalsContact SG-CB 3.57Å; S96-Q99 PolarHBondContact O-NE2 2.75Å; S96-F101 WeakPolarHBondContact CB-O 3.29Å; S96-F101 PolarHBondContact OG-O 3.42Å; S96-D103 PolarHBondContact OG-N 3.49Å; S96-D103 VanDerWaalsContact OG-N 3.15Å; S96-D103 PolarHBondContact OG-OD2 3.44Å; S96-D103 VanDerWaalsContact OG-OD2 3.1Å
97	K	89.6	Confident	89.8	Confident	170 Å²	170	51.2 Å²	51.2	74%	0.739	25%	0.245	S	C	*	.	S	Bend	trans	-81.7	-32.7	175.6	-66.3	-175.6	179.4	-176.8	0	110.5	Q99 D103 H105	K97-Q99 PolarHBondContact O-N 2.85Å; K97-D103 PolarHBondContact N-OD2 3.03Å; K97-D103 VanDerWaalsContact N-OD2 3.14Å; K97-H105 WeakPolarHBondContact CE-NE2 3.31Å
98	R	91.3	Very high	88.7	Confident	188 Å²	188	56.8 Å²	56.8	71%	0.709	26%	0.259	S	S	*	.	S	Bend	trans	-96.1	68.4	175.3	-56.6	179.8	177.7	-175	-4.3	110.9	F101 D103	R98-F101 CarbonylContact O-C 3.47Å; R98-F101 PolarHBondContact O-N 3.13Å; R98-D103 VanDerWaalsContact CB-OD1 3.29Å; R98-D103 WeakPolarHBondContact CB-OD1 3.42Å; R98-D103 WeakPolarHBondContact CB-OD2 3.26Å; R98-D103 VanDerWaalsContact CD-OD1 3.25Å; R98-D103 WeakPolarHBondContact CD-OD1 3.38Å; R98-D103 WeakPolarHBondContact CG-OD1 3.46Å; R98-D103 VanDerWaalsContact CG-OD2 3.29Å; R98-D103 WeakPolarHBondContact CG-OD2 3.26Å; R98-D103 PolarHBondContact N-OD2 3.16Å
99	Q	90.2	Very high	87.5	Confident	44 Å²	44	59.2 Å²	59.2	21%	0.206	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	141.4	172.3	-65.5	-66.9	-27.8	0	0	110.2	A73 I78 G94 S96 K97	A73-Q99 HydrophobicContact CB-CG 3.88Å; I78-Q99 HydrophobicContact CD1-CB 3.95Å; G94-Q99 PolarHBondContact O-NE2 3.14Å; S96-Q99 PolarHBondContact O-NE2 2.75Å; K97-Q99 PolarHBondContact O-N 2.85Å
100	P	94	Very high	85.9	Confident	4 Å²	4	54.9 Å²	54.9	3%	0.026	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	cis	-89	-3.2	7.1	34.5	-34.4	0	0	0	114.9	I78 V80 C91 F138	I78-P100 HydrophobicContact CD1-CB 4.5Å; V80-P100 HydrophobicContact CG2-CG 4.25Å; C91-P100 WeakPolarHBondContact CB-O 3.25Å; C91-P100 PolarHBondContact N-O 3.37Å; C91-P100 VanDerWaalsContact N-O 3.1Å; P100-F138 HydrophobicContact CB-CB 3.62Å; P100-F138 HydrophobicContact CB-CD2 4.4Å; P100-F138 HydrophobicContact CB-CG 4.22Å; P100-F138 HydrophobicContact CG-CB 3.84Å; P100-F138 HydrophobicContact CG-CD2 3.74Å; P100-F138 HydrophobicContact CG-CG 4.07Å
101	F	94	Very high	84	Confident	58 Å²	58	56 Å²	56	25%	0.254	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-83.7	164.6	-172.9	-56.5	-57.6	0	0	0	113.4	V80 Y88 W89 S96 R98 F138	V80-F101 HydrophobicContact CG1-CZ 4.2Å; Y88-F101 HydrophobicContact CD1-CD1 4.38Å; Y88-F101 AromaticContact CD1-CE1 3.54Å; Y88-F101 HydrophobicContact CD1-CE1 3.54Å; Y88-F101 HydrophobicContact CD1-CE2 4.49Å; Y88-F101 AromaticContact CD1-CZ 3.59Å; Y88-F101 HydrophobicContact CD1-CZ 3.59Å; Y88-F101 HydrophobicContact CE1-CZ 4.15Å; Y88-F101 AromaticContact CG-CE1 3.98Å; Y88-F101 HydrophobicContact CG-CE1 3.98Å; Y88-F101 HydrophobicContact CG-CZ 4.4Å; W89-F101 CarbonylContact O-C 3.47Å; W89-F101 VanDerWaalsContact O-CA 3.23Å; W89-F101 WeakPolarHBondContact O-CA 3.14Å; S96-F101 WeakPolarHBondContact CB-O 3.29Å; S96-F101 PolarHBondContact OG-O 3.42Å; R98-F101 CarbonylContact O-C 3.47Å; R98-F101 PolarHBondContact O-N 3.13Å; F101-F138 HydrophobicContact CE1-CE2 4.18Å; F101-F138 HydrophobicContact CZ-CE2 4.33Å
102	C	92.2	Very high	82	Confident	30 Å²	30	61.2 Å²	61.2	20%	0.203	31%	0.308	C	S	.	.			trans	-94	120.6	-176.2	175.2	0	0	0	0	112.8	W89 C91 G104 H106 P125	W89-C102 HydrophobicContact CB-CB 4.22Å; W89-C102 PolarHBondContact O-N 3.08Å; C91-C102 HydrophobicContact CB-CB 4.27Å; C102-G104 PolarHBondContact SG-N 3.3Å; C102-G104 VanDerWaalsContact SG-N 3.42Å; C102-H106 PolarHBondContact SG-CE1 3.15Å; C102-H106 PolarHBondContact SG-ND1 3.25Å; C102-P125 HydrophobicContact CB-CB 3.77Å; C102-P125 HydrophobicContact CB-CG 4.48Å
103	D	90.8	Very high	80.1	Confident	56 Å²	56	65.9 Å²	65.9	30%	0.299	33%	0.332	S	S	.	.			trans	-94.8	12.7	175.9	-64.1	-26.5	0	0	0	114.5	S96 K97 R98 H105	S96-D103 PolarHBondContact OG-N 3.49Å; S96-D103 VanDerWaalsContact OG-N 3.15Å; S96-D103 PolarHBondContact OG-OD2 3.44Å; S96-D103 VanDerWaalsContact OG-OD2 3.1Å; K97-D103 PolarHBondContact N-OD2 3.03Å; K97-D103 VanDerWaalsContact N-OD2 3.14Å; R98-D103 VanDerWaalsContact CB-OD1 3.29Å; R98-D103 WeakPolarHBondContact CB-OD1 3.42Å; R98-D103 WeakPolarHBondContact CB-OD2 3.26Å; R98-D103 VanDerWaalsContact CD-OD1 3.25Å; R98-D103 WeakPolarHBondContact CD-OD1 3.38Å; R98-D103 WeakPolarHBondContact CG-OD1 3.46Å; R98-D103 VanDerWaalsContact CG-OD2 3.29Å; R98-D103 WeakPolarHBondContact CG-OD2 3.26Å; R98-D103 PolarHBondContact N-OD2 3.16Å; D103-H105 WeakPolarHBondContact CB-ND1 3.25Å; D103-H105 PolarHBondContact O-N 3.12Å
104	G	85.7	Confident	78.3	Confident	26 Å²	26	72.4 Å²	72.4	27%	0.268	37%	0.374	S	S	.	.	S	Bend	trans	76.4	0.8	-174.7	0	0	0	0	0	115.2	C102 H106 I107	C102-G104 PolarHBondContact SG-N 3.3Å; C102-G104 VanDerWaalsContact SG-N 3.42Å; G104-H106 PolarHBondContact O-N 3.13Å; G104-H106 VanDerWaalsContact O-N 3.13Å; G104-I107 WeakPolarHBondContact O-CB 3.39Å; G104-I107 WeakPolarHBondContact O-CG1 3.31Å; G104-I107 PolarHBondContact O-N 3.08Å; G104-I107 VanDerWaalsContact O-N 3.12Å
105	H	86.1	Confident	76.5	Confident	39 Å²	39	75.8 Å²	75.8	18%	0.181	41%	0.409	C	S	.	.	H	α-helix	trans	-58.9	-27	177.9	-79.6	71.1	0	0	0	113.4	K97 D103 I107 R108 I109	K97-H105 WeakPolarHBondContact CE-NE2 3.31Å; D103-H105 WeakPolarHBondContact CB-ND1 3.25Å; D103-H105 PolarHBondContact O-N 3.12Å; H105-I107 PolarHBondContact O-N 3.19Å; H105-I107 VanDerWaalsContact O-N 3.16Å; H105-R108 PolarHBondContact O-N 3.24Å; H105-I109 WeakPolarHBondContact O-CD1 3.49Å
106	H	79.8	Confident	74.5	Confident	31 Å²	31	75.2 Å²	75.2	14%	0.144	41%	0.406	C	S	.	.	H	α-helix	trans	-56	-30.6	176.9	65.1	-90.5	0	0	0	112.8	C93 C102 G104 R108 I109 L110	C93-H106 HydrophobicContact CB-CB 3.98Å; C102-H106 PolarHBondContact SG-CE1 3.15Å; C102-H106 PolarHBondContact SG-ND1 3.25Å; G104-H106 PolarHBondContact O-N 3.13Å; G104-H106 VanDerWaalsContact O-N 3.13Å; H106-R108 VanDerWaalsContact C-N 3.32Å; H106-R108 PolarHBondContact O-N 2.96Å; H106-I109 PolarHBondContact O-N 2.66Å; H106-L110 PolarHBondContact O-N 2.95Å
107	I	78	Confident	72.2	Confident	107 Å²	107	83.4 Å²	83.4	55%	0.549	44%	0.44	S	S	.	.	H	α-helix	trans	-64.4	-37.9	178.4	-56.3	171.1	0	0	0	110.8	G104 H105	G104-I107 WeakPolarHBondContact O-CB 3.39Å; G104-I107 WeakPolarHBondContact O-CG1 3.31Å; G104-I107 PolarHBondContact O-N 3.08Å; G104-I107 VanDerWaalsContact O-N 3.12Å; H105-I107 PolarHBondContact O-N 3.19Å; H105-I107 VanDerWaalsContact O-N 3.16Å
108	R	71.6	Confident	70.1	Confident	183 Å²	183	82.5 Å²	82.5	69%	0.691	44%	0.442	S	S	*	.	H	α-helix	trans	-72.3	-34.8	-177.3	-63.9	-175	-174.4	175.6	1.2	113	H105 H106 L110 G111	H105-R108 PolarHBondContact O-N 3.24Å; H106-R108 VanDerWaalsContact C-N 3.32Å; H106-R108 PolarHBondContact O-N 2.96Å; R108-L110 VanDerWaalsContact C-N 3.33Å; R108-G111 PolarHBondContact O-N 2.95Å; R108-G111 VanDerWaalsContact O-N 3.08Å
109	I	66.9	Low	68	Low	79 Å²	79	81.3 Å²	81.3	41%	0.405	44%	0.444	S	S	.	.	H	α-helix	trans	-73.5	-32	179.8	-64.2	133.6	0	0	0	111.1	H95 H105 H106 G111	H95-I109 HydrophobicContact CB-CD1 3.23Å; H95-I109 HydrophobicContact CB-CG1 4.46Å; H95-I109 WeakPolarHBondContact CD2-CD1 3.21Å; H105-I109 WeakPolarHBondContact O-CD1 3.49Å; H106-I109 PolarHBondContact O-N 2.66Å; I109-G111 PolarHBondContact O-N 3.02Å; I109-G111 VanDerWaalsContact O-N 3.13Å
110	L	59	Low	66.2	Low	24 Å²	24	83.8 Å²	83.8	13%	0.126	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	3.6	169.7	-71	165.5	0	0	0	111.9	H106 R108 F116 K120 F123	H106-L110 PolarHBondContact O-N 2.95Å; R108-L110 VanDerWaalsContact C-N 3.33Å; L110-F116 HydrophobicContact CB-CE1 4.07Å; L110-F116 HydrophobicContact CD2-CE1 4.31Å; L110-F116 WeakPolarHBondContact O-CD1 3.46Å; L110-F116 WeakPolarHBondContact O-CD2 3.46Å; L110-F116 WeakPolarHBondContact O-CE1 3.36Å; L110-F116 VanDerWaalsContact O-CE2 3.27Å; L110-F116 WeakPolarHBondContact O-CE2 3.29Å; L110-F116 VanDerWaalsContact O-CG 3.25Å; L110-F116 WeakPolarHBondContact O-CG 2.99Å; L110-F116 WeakPolarHBondContact O-CZ 3.35Å; L110-K120 HydrophobicContact CD1-CB 4.28Å; L110-K120 HydrophobicContact CD2-CB 3.46Å; L110-K120 VanDerWaalsContact CD2-CB 3.46Å; L110-K120 HydrophobicContact CD2-CD 3.87Å; L110-K120 HydrophobicContact CD2-CG 4.22Å; L110-K120 HydrophobicContact CG-CB 4.39Å; L110-F123 HydrophobicContact CD2-CD2 4.3Å
111	G	54.5	Low	64.6	Low	31 Å²	31	92.1 Å²	92.1	32%	0.32	49%	0.485	S	S	.	.			trans	89	126.6	166.4	0	0	0	0	0	113.8	R108 I109 N113	R108-G111 PolarHBondContact O-N 2.95Å; R108-G111 VanDerWaalsContact O-N 3.08Å; I109-G111 PolarHBondContact O-N 3.02Å; I109-G111 VanDerWaalsContact O-N 3.13Å; G111-N113 PolarHBondContact O-N 2.93Å
112	S	51.8	Low	63.4	Low	110 Å²	110	91.7 Å²	91.7	77%	0.769	48%	0.484	S	S	*	.			trans	-78.5	15.2	172.6	-55.3	0	0	0	0	113.6
113	N	49.5	Very low	62.7	Low	118 Å²	118	91.6 Å²	91.6	63%	0.631	48%	0.48	S	S	*	.			trans	-72	129.3	179.3	-80	-6.4	0	0	0	109.4	G111 G115 F116	G111-N113 PolarHBondContact O-N 2.93Å; N113-G115 PolarHBondContact O-N 2.79Å; N113-F116 HydrophobicContact CB-CB 4.41Å; N113-F116 WeakPolarHBondContact O-CB 3.22Å; N113-F116 PolarHBondContact O-N 3.01Å
114	P	48.9	Very low	62.4	Low	141 Å²	141	95.2 Å²	95.2	92%	0.916	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-11.2	-178.6	23.2	-31.9	0	0	0	114.1
115	G	52.6	Low	62.5	Low	75 Å²	75	95 Å²	95	77%	0.773	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	2.8	170.3	0	0	0	0	0	114.9	N113 K117	N113-G115 PolarHBondContact O-N 2.79Å; G115-K117 PolarHBondContact O-N 2.76Å
116	F	46.8	Very low	62.7	Low	57 Å²	57	94.9 Å²	94.9	25%	0.25	49%	0.487	C	S	.	.	S	Bend	trans	-85.2	110.6	-179	-142.9	-85.6	0	0	0	109.2	L110 N113 I118 K120	L110-F116 HydrophobicContact CB-CE1 4.07Å; L110-F116 HydrophobicContact CD2-CE1 4.31Å; L110-F116 WeakPolarHBondContact O-CD1 3.46Å; L110-F116 WeakPolarHBondContact O-CD2 3.46Å; L110-F116 WeakPolarHBondContact O-CE1 3.36Å; L110-F116 VanDerWaalsContact O-CE2 3.27Å; L110-F116 WeakPolarHBondContact O-CE2 3.29Å; L110-F116 VanDerWaalsContact O-CG 3.25Å; L110-F116 WeakPolarHBondContact O-CG 2.99Å; L110-F116 WeakPolarHBondContact O-CZ 3.35Å; N113-F116 HydrophobicContact CB-CB 4.41Å; N113-F116 WeakPolarHBondContact O-CB 3.22Å; N113-F116 PolarHBondContact O-N 3.01Å; F116-I118 PolarHBondContact O-N 2.82Å; F116-K120 HydrophobicContact CD1-CG 4.41Å; F116-K120 HydrophobicContact CE1-CB 4.18Å; F116-K120 HydrophobicContact CE1-CD 3.34Å; F116-K120 HydrophobicContact CE1-CG 3.55Å; F116-K120 HydrophobicContact CZ-CD 3.47Å; F116-K120 VanDerWaalsContact CZ-CD 3.47Å; F116-K120 HydrophobicContact CZ-CG 4.2Å
117	K	42.8	Very low	63.3	Low	180 Å²	180	100.5 Å²	100.5	78%	0.783	51%	0.507	S	S	*	.			trans	-53.3	111.8	168.5	-75.4	179	179.6	177.1	0	107.2	G115 H119 K120	G115-K117 PolarHBondContact O-N 2.76Å; K117-H119 PolarHBondContact O-N 3.38Å; K117-K120 PolarHBondContact O-N 3.11Å
118	I	46.6	Very low	64	Low	151 Å²	151	96.2 Å²	96.2	77%	0.774	49%	0.485	S	S	*	.	S	Bend	trans	-53.6	-11.1	179.8	-64	161.2	0	0	0	112	F116	F116-I118 PolarHBondContact O-N 2.82Å
119	H	45.4	Very low	65.1	Low	163 Å²	163	91 Å²	91	76%	0.755	47%	0.473	S	S	*	.			trans	-97.6	43.5	178.3	-60.8	-66.6	0	0	0	115.4	K117 R121	K117-H119 PolarHBondContact O-N 3.38Å; H119-R121 PolarHBondContact O-N 3.47Å
120	K	54.3	Low	66.3	Low	96 Å²	96	88.1 Å²	88.1	42%	0.417	46%	0.458	S	S	.	.			trans	-72.8	100.1	159.5	-82.2	-156	-171.9	178.4	0	108.6	L110 F116 K117 E122	L110-K120 HydrophobicContact CD1-CB 4.28Å; L110-K120 HydrophobicContact CD2-CB 3.46Å; L110-K120 VanDerWaalsContact CD2-CB 3.46Å; L110-K120 HydrophobicContact CD2-CD 3.87Å; L110-K120 HydrophobicContact CD2-CG 4.22Å; L110-K120 HydrophobicContact CG-CB 4.39Å; F116-K120 HydrophobicContact CD1-CG 4.41Å; F116-K120 HydrophobicContact CE1-CB 4.18Å; F116-K120 HydrophobicContact CE1-CD 3.34Å; F116-K120 HydrophobicContact CE1-CG 3.55Å; F116-K120 HydrophobicContact CZ-CD 3.47Å; F116-K120 VanDerWaalsContact CZ-CD 3.47Å; F116-K120 HydrophobicContact CZ-CG 4.2Å; K117-K120 PolarHBondContact O-N 3.11Å; K120-E122 PolarHBondContact O-N 3.32Å
121	R	59.9	Low	67.9	Low	180 Å²	180	95.1 Å²	95.1	68%	0.679	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-61.7	-20.8	-173.4	-65.8	-176.6	176.8	-171.4	-1.3	113.8	P62 H119 F123 K124	P62-R121 HydrophobicContact CB-CB 3.94Å; P62-R121 WeakPolarHBondContact CB-O 2.91Å; P62-R121 WeakPolarHBondContact CG-O 3.27Å; H119-R121 PolarHBondContact O-N 3.47Å; R121-F123 VanDerWaalsContact C-N 3.28Å; R121-F123 PolarHBondContact O-N 3.1Å; R121-F123 VanDerWaalsContact O-N 3.14Å; R121-K124 PolarHBondContact O-N 3.06Å
122	E	69.1	Low	69.8	Low	49 Å²	49	100.4 Å²	100.4	23%	0.229	51%	0.506	C	S	.	.	G	3₁₀ helix	trans	-53.7	-37	-169.2	-67.8	165.5	-132.9	0	0	114.3	N68 K120	N68-E122 PolarHBondContact ND2-OE2 3.28Å; K120-E122 PolarHBondContact O-N 3.32Å
123	F	77.6	Confident	71.8	Confident	28 Å²	28	100 Å²	100	12%	0.123	50%	0.501	C	S	.	.	G	3₁₀ helix	trans	-123	37.7	-175	-59.6	-62.3	0	0	0	114	P70 S92 C93 L110 R121	P70-F123 HydrophobicContact CB-CD1 4.49Å; P70-F123 HydrophobicContact CB-CE1 3.91Å; S92-F123 VanDerWaalsContact OG-C 3.26Å; S92-F123 PolarHBondContact OG-O 3.33Å; C93-F123 HydrophobicContact CB-CB 3.91Å; C93-F123 HydrophobicContact CB-CD1 4.14Å; C93-F123 HydrophobicContact CB-CG 4.08Å; L110-F123 HydrophobicContact CD2-CD2 4.3Å; R121-F123 VanDerWaalsContact C-N 3.28Å; R121-F123 PolarHBondContact O-N 3.1Å; R121-F123 VanDerWaalsContact O-N 3.14Å
124	K	82.7	Confident	73.9	Confident	131 Å²	131	96.1 Å²	96.1	57%	0.57	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-68.8	135.1	173	-169.2	-178.9	177.2	-174	0	109.9	S92 R121	S92-K124 PolarHBondContact OG-O 2.96Å; R121-K124 PolarHBondContact O-N 3.06Å
125	P	89.2	Confident	76.1	Confident	21 Å²	21	96.1 Å²	96.1	14%	0.136	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-65.9	147.3	173.4	28.1	-35	0	0	0	111.1	W89 W90 C102	W89-P125 HydrophobicContact CE3-CB 4.27Å; W89-P125 HydrophobicContact CE3-CG 4.19Å; W90-P125 VanDerWaalsContact O-CA 3.25Å; W90-P125 WeakPolarHBondContact O-CA 3.13Å; W90-P125 WeakPolarHBondContact O-CB 3.16Å; C102-P125 HydrophobicContact CB-CB 3.77Å; C102-P125 HydrophobicContact CB-CG 4.48Å
126	I	90.9	Very high	78.1	Confident	38 Å²	38	93.2 Å²	93.2	20%	0.195	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	129.1	179.8	-59.1	177.7	0	0	0	108.6	L61 W89 W90 L128 P147	L61-I126 HydrophobicContact CD2-CD1 4.34Å; W89-I126 CarbonylContact C-O 3.6Å; W89-I126 WeakPolarHBondContact CA-O 3.41Å; W90-I126 HydrophobicContact CB-CB 4.49Å; W90-I126 HydrophobicContact CE3-CB 4.29Å; W90-I126 HydrophobicContact CE3-CD1 3.71Å; W90-I126 HydrophobicContact CE3-CG1 4.03Å; W90-I126 HydrophobicContact CZ3-CD1 3.79Å; W90-I126 HydrophobicContact CZ3-CG1 4.43Å; W90-I126 PolarHBondContact N-O 3.1Å; W90-I126 PolarHBondContact O-N 3.14Å; I126-L128 HydrophobicContact CG2-CD2 3.9Å; I126-L128 HydrophobicContact CG2-CG 4.5Å; I126-P147 HydrophobicContact CD1-CB 3.7Å; I126-P147 HydrophobicContact CD1-CG 4.18Å
127	R	92.3	Very high	80.4	Confident	148 Å²	148	97.3 Å²	97.3	56%	0.558	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	128	175.3	-171.2	-177.7	174.5	-136.2	-0.4	109.4	V87 W89	V87-R127 HydrophobicContact CG1-CG 3.76Å; W89-R127 HydrophobicContact CE3-CB 3.95Å; W89-R127 HydrophobicContact CE3-CG 4.42Å; W89-R127 HydrophobicContact CH2-CB 3.83Å; W89-R127 HydrophobicContact CH2-CG 3.87Å; W89-R127 HydrophobicContact CZ2-CB 4.47Å; W89-R127 HydrophobicContact CZ2-CG 4.08Å; W89-R127 HydrophobicContact CZ3-CB 3.53Å; W89-R127 HydrophobicContact CZ3-CG 4.05Å
128	L	92.2	Very high	82.8	Confident	17 Å²	17	88.8 Å²	88.8	9%	0.089	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.7	176.9	-53.3	171.6	0	0	0	109.2	V87 Y88 W90 I126 Y130 F138 P148	V87-L128 WeakPolarHBondContact CA-O 3.48Å; Y88-L128 PolarHBondContact N-O 2.64Å; Y88-L128 PolarHBondContact O-N 2.76Å; W90-L128 HydrophobicContact CB-CD1 4.05Å; I126-L128 HydrophobicContact CG2-CD2 3.9Å; I126-L128 HydrophobicContact CG2-CG 4.5Å; L128-Y130 HydrophobicContact CB-CE2 4.17Å; L128-F138 HydrophobicContact CD1-CD1 4.47Å; L128-F138 HydrophobicContact CD1-CE1 3.51Å; L128-F138 HydrophobicContact CD1-CZ 4Å; L128-P148 HydrophobicContact CD1-CB 3.84Å; L128-P148 HydrophobicContact CD1-CG 3.59Å; L128-P148 HydrophobicContact CD2-CB 4.37Å; L128-P148 HydrophobicContact CD2-CG 3.65Å; L128-P148 HydrophobicContact CG-CG 4.24Å
129	V	93.8	Very high	85.1	Confident	73 Å²	73	81.6 Å²	81.6	44%	0.442	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	128.7	174	-175.7	0	0	0	0	106.5	V87	V87-V129 HydrophobicContact CG2-CG2 4.12Å
130	Y	92.2	Very high	87.4	Confident	19 Å²	19	74.1 Å²	74.1	8%	0.075	34%	0.344	C	S	.	.			trans	-108.6	137.2	178.8	-61.9	-84	0	0	0	109.6	C82 P84 N85 Y88 L128 V136 F138	C82-Y130 HydrophobicContact CB-CD2 3.51Å; C82-Y130 HydrophobicContact CB-CE2 3.67Å; C82-Y130 HydrophobicContact CB-CG 4.07Å; C82-Y130 VanDerWaalsContact SG-CE2 3.54Å; P84-Y130 CarbonylContact C-O 3.56Å; P84-Y130 WeakPolarHBondContact CA-O 3.19Å; N85-Y130 PolarHBondContact N-O 2.8Å; Y88-Y130 AromaticContact CD2-CD2 3.83Å; Y88-Y130 HydrophobicContact CD2-CD2 3.83Å; Y88-Y130 AromaticContact CD2-CE2 3.84Å; Y88-Y130 HydrophobicContact CD2-CE2 3.84Å; Y88-Y130 AromaticContact CE2-CD2 3.94Å; Y88-Y130 HydrophobicContact CE2-CD2 3.94Å; Y88-Y130 HydrophobicContact CE2-CE2 4.26Å; L128-Y130 HydrophobicContact CB-CE2 4.17Å; Y130-V136 HydrophobicContact CE1-CG2 3.96Å; Y130-F138 HydrophobicContact CE2-CZ 4.36Å; Y130-F138 WeakPolarHBondContact OH-CE1 3.38Å; Y130-F138 VanDerWaalsContact OH-CZ 3.31Å; Y130-F138 WeakPolarHBondContact OH-CZ 3.47Å
131	E	93.5	Very high	89.3	Confident	171 Å²	171	69.6 Å²	69.6	80%	0.799	32%	0.324	S	S	*	.	S	Bend	trans	-82.9	-28.6	177.2	-62.8	-176.1	169.7	0	0	112	P84	P84-E131 VanDerWaalsContact CB-O 3.28Å; P84-E131 WeakPolarHBondContact CB-O 3.11Å
132	Q	93.3	Very high	90.7	Very high	142 Å²	142	61.6 Å²	61.6	66%	0.664	30%	0.295	S	S	*	.	S	Bend	trans	-125.8	154.1	-176.7	-65.1	-177.9	6.8	0	0	110.5	S134	Q132-S134 PolarHBondContact O-N 3.09Å; Q132-S134 VanDerWaalsContact O-N 3.1Å; Q132-S134 PolarHBondContact O-OG 2.71Å
133	P	95.3	Very high	91.7	Very high	101 Å²	101	61.6 Å²	61.6	66%	0.656	30%	0.295	S	S	*	.			trans	-58	118	171	25.9	-33.8	0	0	0	109.3	C82	C82-P133 VanDerWaalsContact O-CA 3.31Å; C82-P133 WeakPolarHBondContact O-CA 3.39Å
134	S	93.3	Very high	92.3	Very high	37 Å²	37	61.2 Å²	61.2	26%	0.259	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.6	-171	-58.4	0	0	0	0	110.6	C82 Q132	C82-S134 WeakPolarHBondContact CB-O 3.3Å; C82-S134 PolarHBondContact N-O 2.92Å; C82-S134 PolarHBondContact O-N 3.34Å; Q132-S134 PolarHBondContact O-N 3.09Å; Q132-S134 VanDerWaalsContact O-N 3.1Å; Q132-S134 PolarHBondContact O-OG 2.71Å
135	E	94.7	Very high	92.6	Very high	142 Å²	142	59.3 Å²	59.3	66%	0.664	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	118.4	173	-63.5	-172.4	178.9	0	0	109.4	H79 I81	H79-E135 IonicContact NE2-OE2 2.87Å; I81-E135 HydrophobicContact CG1-CG 4.3Å
136	V	93.7	Very high	92.5	Very high	13 Å²	13	64.6 Å²	64.6	8%	0.079	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	140.4	-169	176.3	0	0	0	0	111.1	V80 Y130 F138 Y149	V80-V136 PolarHBondContact N-O 2.82Å; V80-V136 PolarHBondContact O-N 3.31Å; Y130-V136 HydrophobicContact CE1-CG2 3.96Å; V136-F138 HydrophobicContact CB-CE2 4.48Å; V136-F138 HydrophobicContact CB-CZ 4.33Å; V136-F138 HydrophobicContact CG1-CD1 3.98Å; V136-F138 HydrophobicContact CG1-CD2 4.49Å; V136-F138 HydrophobicContact CG1-CE1 3.7Å; V136-F138 HydrophobicContact CG1-CE2 4.27Å; V136-F138 HydrophobicContact CG1-CG 4.37Å; V136-F138 HydrophobicContact CG1-CZ 3.88Å; V136-Y149 HydrophobicContact CB-CE1 4.48Å; V136-Y149 HydrophobicContact CG1-CD1 3.36Å; V136-Y149 HydrophobicContact CG1-CE1 3.33Å; V136-Y149 HydrophobicContact CG2-CE1 4.29Å
137	W	94.9	Very high	92.3	Very high	144 Å²	144	64.6 Å²	64.6	55%	0.545	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	107	170.9	-66.6	87.1	0	0	0	110.8	P77 H79 C150	P77-W137 HydrophobicContact CB-CB 4.39Å; P77-W137 HydrophobicContact CB-CE3 4.09Å; P77-W137 HydrophobicContact CG-CE3 3.88Å; P77-W137 HydrophobicContact CG-CZ3 4.43Å; H79-W137 HydrophobicContact CB-CD2 4.07Å; H79-W137 HydrophobicContact CB-CE3 3.83Å; H79-W137 HydrophobicContact CB-CH2 3.74Å; H79-W137 HydrophobicContact CB-CZ2 3.94Å; H79-W137 HydrophobicContact CB-CZ3 3.68Å; H79-W137 AromaticContact CD2-CE2 3.68Å; H79-W137 AromaticContact CD2-CZ2 3.9Å; H79-W137 AromaticContact CD2-NE1 3.74Å; W137-C150 HydrophobicContact CB-CB 4.38Å; W137-C150 PolarHBondContact O-N 2.87Å; W137-C150 VanDerWaalsContact O-N 3.09Å
138	F	94.8	Very high	92.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	138.7	178.9	-70.8	-59.6	0	0	0	112.5	P77 I78 V80 W90 P100 F101 L128 Y130 V136 P148 Y149	P77-F138 VanDerWaalsContact CA-O 3.3Å; P77-F138 WeakPolarHBondContact CA-O 3.47Å; P77-F138 WeakPolarHBondContact CB-O 3.33Å; I78-F138 PolarHBondContact N-O 3.01Å; I78-F138 VanDerWaalsContact N-O 3.09Å; I78-F138 PolarHBondContact O-N 3.09Å; V80-F138 HydrophobicContact CB-CD2 3.93Å; V80-F138 HydrophobicContact CB-CE2 3.84Å; V80-F138 HydrophobicContact CG1-CE2 4.3Å; V80-F138 HydrophobicContact CG2-CD2 3.77Å; V80-F138 HydrophobicContact CG2-CE2 4.12Å; W90-F138 AromaticContact CD1-CD1 3.96Å; P100-F138 HydrophobicContact CB-CB 3.62Å; P100-F138 HydrophobicContact CB-CD2 4.4Å; P100-F138 HydrophobicContact CB-CG 4.22Å; P100-F138 HydrophobicContact CG-CB 3.84Å; P100-F138 HydrophobicContact CG-CD2 3.74Å; P100-F138 HydrophobicContact CG-CG 4.07Å; F101-F138 HydrophobicContact CE1-CE2 4.18Å; F101-F138 HydrophobicContact CZ-CE2 4.33Å; L128-F138 HydrophobicContact CD1-CD1 4.47Å; L128-F138 HydrophobicContact CD1-CE1 3.51Å; L128-F138 HydrophobicContact CD1-CZ 4Å; Y130-F138 HydrophobicContact CE2-CZ 4.36Å; Y130-F138 WeakPolarHBondContact OH-CE1 3.38Å; Y130-F138 VanDerWaalsContact OH-CZ 3.31Å; Y130-F138 WeakPolarHBondContact OH-CZ 3.47Å; V136-F138 HydrophobicContact CB-CE2 4.48Å; V136-F138 HydrophobicContact CB-CZ 4.33Å; V136-F138 HydrophobicContact CG1-CD1 3.98Å; V136-F138 HydrophobicContact CG1-CD2 4.49Å; V136-F138 HydrophobicContact CG1-CE1 3.7Å; V136-F138 HydrophobicContact CG1-CE2 4.27Å; V136-F138 HydrophobicContact CG1-CG 4.37Å; V136-F138 HydrophobicContact CG1-CZ 3.88Å; F138-P148 HydrophobicContact CD1-CB 4.06Å; F138-P148 HydrophobicContact CD1-CG 4.34Å; F138-P148 HydrophobicContact CE1-CB 4.22Å; F138-P148 HydrophobicContact CE1-CG 4.14Å; F138-Y149 HydrophobicContact CE1-CE1 4.44Å
139	C	94.4	Very high	92.4	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.007	31%	0.311	C	S	.	.			trans	-71.4	129.5	176.7	177.5	0	0	0	0	111.8	W90 C141 K142 T144 P148 Y149	W90-C139 HydrophobicContact CZ2-CB 4.06Å; W90-C139 PolarHBondContact NE1-O 3.14Å; W90-C139 VanDerWaalsContact NE1-O 3.11Å; C139-C141 PolarHBondContact SG-SG 2.97Å; C139-K142 PolarHBondContact O-NZ 3.43Å; C139-K142 PolarHBondContact SG-N 3.34Å; C139-T144 HydrophobicContact CB-CG2 3.81Å; C139-P148 PolarHBondContact N-O 3.43Å; C139-Y149 WeakPolarHBondContact CB-O 3.3Å
140	T	93.9	Very high	92.4	Very high	6 Å²	6	59.8 Å²	59.8	4%	0.037	30%	0.303	C	S	.	.	S	Bend	trans	-106.6	-22.1	174.1	58	0	0	0	0	113.2	A73 G74 R76 I78 K142	A73-T140 VanDerWaalsContact CB-O 3.3Å; A73-T140 WeakPolarHBondContact CB-O 3.3Å; A73-T140 PolarHBondContact N-O 3.48Å; G74-T140 PolarHBondContact N-O 3.25Å; G74-T140 CarbonylContact O-C 3.58Å; G74-T140 PolarHBondContact O-OG1 3.23Å; R76-T140 WeakPolarHBondContact O-CG2 3.36Å; R76-T140 PolarHBondContact O-OG1 3.26Å; I78-T140 HydrophobicContact CB-CG2 4.45Å; I78-T140 HydrophobicContact CD1-CG2 3.58Å; I78-T140 HydrophobicContact CG1-CG2 3.64Å; T140-K142 VanDerWaalsContact C-N 3.31Å; T140-K142 PolarHBondContact O-N 2.81Å
141	C	92.6	Very high	92.5	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.007	31%	0.313	C	S	.	.	S	Bend	trans	-74.7	-22.8	178.6	68.1	0	0	0	0	113	I72 G74 C139 Q143 H154 V159	I72-C141 HydrophobicContact CG2-CB 4.18Å; G74-C141 VanDerWaalsContact O-CA 3.3Å; G74-C141 WeakPolarHBondContact O-CA 3.4Å; G74-C141 WeakPolarHBondContact O-CB 3.45Å; G74-C141 PolarHBondContact O-N 3.5Å; C139-C141 PolarHBondContact SG-SG 2.97Å; C141-Q143 PolarHBondContact O-N 3.09Å; C141-H154 HydrophobicContact CB-CB 4.03Å; C141-V159 HydrophobicContact CB-CG1 3.72Å; C141-V159 HydrophobicContact CB-CG2 4.42Å
142	K	91.3	Very high	92.4	Very high	12 Å²	12	54.5 Å²	54.5	5%	0.052	29%	0.287	C	S	.	.	S	Bend	trans	62.9	14.1	-178.7	-44.8	-53.6	177.5	-177.9	0	114.7	P70 W90 C91 C139 T140	P70-K142 HydrophobicContact CB-CB 3.79Å; P70-K142 HydrophobicContact CG-CB 3.6Å; P70-K142 WeakPolarHBondContact CG-O 3.48Å; W90-K142 VanDerWaalsContact CE2-NZ 3.34Å; W90-K142 HydrophobicContact CH2-CD 3.76Å; W90-K142 HydrophobicContact CZ2-CD 3.4Å; C91-K142 VanDerWaalsContact O-CD 3.22Å; C91-K142 WeakPolarHBondContact O-CD 3.34Å; C91-K142 WeakPolarHBondContact O-CE 3.44Å; C91-K142 PolarHBondContact O-NZ 2.74Å; C139-K142 PolarHBondContact O-NZ 3.43Å; C139-K142 PolarHBondContact SG-N 3.34Å; T140-K142 VanDerWaalsContact C-N 3.31Å; T140-K142 PolarHBondContact O-N 2.81Å
143	Q	89.1	Confident	92.3	Very high	49 Å²	49	49.2 Å²	49.2	23%	0.229	27%	0.266	C	S	.	.			trans	-103.3	20.9	174.4	-54.5	-58.9	-44.3	0	0	111.9	P70 C141 S153 V159	P70-Q143 PolarHBondContact O-NE2 2.9Å; C141-Q143 PolarHBondContact O-N 3.09Å; Q143-S153 VanDerWaalsContact O-CB 3.24Å; Q143-S153 WeakPolarHBondContact O-CB 3.24Å; Q143-V159 HydrophobicContact CB-CG2 4.41Å; Q143-V159 HydrophobicContact CG-CG2 4.09Å
144	T	91	Very high	92	Very high	19 Å²	19	45.8 Å²	45.8	12%	0.117	24%	0.241	C	C	.	.			trans	-72.9	140.9	178.6	179.1	0	0	0	0	110.3	W90 C139 E146 P147 Y149 D151	W90-T144 HydrophobicContact CH2-CG2 4.5Å; C139-T144 HydrophobicContact CB-CG2 3.81Å; T144-E146 VanDerWaalsContact C-N 3.3Å; T144-E146 PolarHBondContact OG1-N 3.45Å; T144-E146 VanDerWaalsContact OG1-N 3.09Å; T144-E146 PolarHBondContact OG1-O 3Å; T144-P147 HydrophobicContact CG2-CB 3.96Å; T144-Y149 WeakPolarHBondContact CB-O 3.12Å; T144-Y149 PolarHBondContact OG1-O 2.9Å; T144-D151 WeakPolarHBondContact CA-OD2 3.49Å; T144-D151 VanDerWaalsContact OG1-CG 3.23Å; T144-D151 PolarHBondContact OG1-OD1 3.26Å; T144-D151 PolarHBondContact OG1-OD2 2.93Å
145	S	87.3	Confident	91.9	Very high	92 Å²	92	49.2 Å²	49.2	64%	0.643	26%	0.257	S	S	*	.	S	Bend	trans	-71.6	-28.1	168.7	57.1	0	0	0	0	111.9	P147 D151	S145-P147 VanDerWaalsContact C-CD 3.44Å; S145-P147 WeakPolarHBondContact O-CD 3.49Å; S145-D151 WeakPolarHBondContact CB-OD2 3.35Å; S145-D151 PolarHBondContact N-OD2 3.4Å; S145-D151 PolarHBondContact OG-OD2 3.2Å
146	E	88.2	Confident	91.6	Very high	131 Å²	131	45.7 Å²	45.7	61%	0.612	25%	0.247	S	C	*	.	S	Bend	trans	-117.1	72.3	-178.8	-64.8	-174.1	169.2	0	0	111.1	T144 Y149	T144-E146 VanDerWaalsContact C-N 3.3Å; T144-E146 PolarHBondContact OG1-N 3.45Å; T144-E146 VanDerWaalsContact OG1-N 3.09Å; T144-E146 PolarHBondContact OG1-O 3Å; E146-Y149 PolarHBondContact O-N 3.42Å
147	P	87	Confident	91.5	Very high	38 Å²	38	53.2 Å²	53.2	25%	0.247	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	133.9	175.8	30.2	-35	0	0	0	109.5	L61 W90 I126 T144 S145	L61-P147 HydrophobicContact CD1-CG 3.89Å; W90-P147 HydrophobicContact CH2-CB 4Å; W90-P147 HydrophobicContact CZ3-CB 3.9Å; I126-P147 HydrophobicContact CD1-CB 3.7Å; I126-P147 HydrophobicContact CD1-CG 4.18Å; T144-P147 HydrophobicContact CG2-CB 3.96Å; S145-P147 VanDerWaalsContact C-CD 3.44Å; S145-P147 WeakPolarHBondContact O-CD 3.49Å
148	P	92.8	Very high	91.2	Very high	6 Å²	6	52.1 Å²	52.1	4%	0.039	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	cis	-96.8	-1.7	16	41.2	-43.3	0	0	0	115.5	W90 L128 F138 C139	W90-P148 HydrophobicContact CB-CB 3.92Å; W90-P148 HydrophobicContact CD2-CB 3.74Å; W90-P148 HydrophobicContact CE3-CB 4.3Å; W90-P148 HydrophobicContact CG-CB 3.55Å; W90-P148 PolarHBondContact NE1-O 2.68Å; L128-P148 HydrophobicContact CD1-CB 3.84Å; L128-P148 HydrophobicContact CD1-CG 3.59Å; L128-P148 HydrophobicContact CD2-CB 4.37Å; L128-P148 HydrophobicContact CD2-CG 3.65Å; L128-P148 HydrophobicContact CG-CG 4.24Å; F138-P148 HydrophobicContact CD1-CB 4.06Å; F138-P148 HydrophobicContact CD1-CG 4.34Å; F138-P148 HydrophobicContact CE1-CB 4.22Å; F138-P148 HydrophobicContact CE1-CG 4.14Å; C139-P148 PolarHBondContact N-O 3.43Å
149	Y	94.3	Very high	90.9	Very high	94 Å²	94	52.3 Å²	52.3	37%	0.369	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-83.8	160	-167.1	-54.5	-60.5	0	0	0	111.8	V136 F138 C139 T144 E146	V136-Y149 HydrophobicContact CB-CE1 4.48Å; V136-Y149 HydrophobicContact CG1-CD1 3.36Å; V136-Y149 HydrophobicContact CG1-CE1 3.33Å; V136-Y149 HydrophobicContact CG2-CE1 4.29Å; F138-Y149 HydrophobicContact CE1-CE1 4.44Å; C139-Y149 WeakPolarHBondContact CB-O 3.3Å; T144-Y149 WeakPolarHBondContact CB-O 3.12Å; T144-Y149 PolarHBondContact OG1-O 2.9Å; E146-Y149 PolarHBondContact O-N 3.42Å
150	C	93.5	Very high	90.7	Very high	38 Å²	38	55.7 Å²	55.7	26%	0.257	30%	0.299	S	S	.	.			trans	-86.6	117.1	175.7	-178.7	0	0	0	0	110.7	P77 W137 H154	P77-C150 HydrophobicContact CB-CB 3.76Å; P77-C150 HydrophobicContact CG-CB 4.34Å; W137-C150 HydrophobicContact CB-CB 4.38Å; W137-C150 PolarHBondContact O-N 2.87Å; W137-C150 VanDerWaalsContact O-N 3.09Å; C150-H154 PolarHBondContact SG-CE1 3.19Å; C150-H154 PolarHBondContact SG-ND1 3.42Å
151	D	92.9	Very high	90.6	Very high	53 Å²	53	59.1 Å²	59.1	28%	0.283	32%	0.323	S	S	.	.			trans	-97.1	-1.9	177.8	62.2	-14.4	0	0	0	113.5	T144 S145 S153	T144-D151 WeakPolarHBondContact CA-OD2 3.49Å; T144-D151 VanDerWaalsContact OG1-CG 3.23Å; T144-D151 PolarHBondContact OG1-OD1 3.26Å; T144-D151 PolarHBondContact OG1-OD2 2.93Å; S145-D151 WeakPolarHBondContact CB-OD2 3.35Å; S145-D151 PolarHBondContact N-OD2 3.4Å; S145-D151 PolarHBondContact OG-OD2 3.2Å; D151-S153 WeakPolarHBondContact OD1-CB 3.44Å; D151-S153 PolarHBondContact OD1-N 2.93Å; D151-S153 PolarHBondContact OD1-OG 3.33Å; D151-S153 VanDerWaalsContact OD1-OG 3.06Å; D151-S153 PolarHBondContact OD2-OG 3.06Å
152	G	91.2	Very high	90.4	Very high	26 Å²	26	65.6 Å²	65.6	27%	0.268	35%	0.351	S	S	.	.	S	Bend	trans	91.7	-2.3	-174	0	0	0	0	0	114.6	H154 N155	G152-H154 PolarHBondContact O-N 3.35Å; G152-N155 WeakPolarHBondContact O-CB 2.95Å; G152-N155 PolarHBondContact O-N 3.45Å
153	S	91.3	Very high	90	Very high	31 Å²	31	66.9 Å²	66.9	22%	0.217	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-60.2	-12.2	176.7	-68.3	0	0	0	0	113.9	Q143 D151 N155 C156	Q143-S153 VanDerWaalsContact O-CB 3.24Å; Q143-S153 WeakPolarHBondContact O-CB 3.24Å; D151-S153 WeakPolarHBondContact OD1-CB 3.44Å; D151-S153 PolarHBondContact OD1-N 2.93Å; D151-S153 PolarHBondContact OD1-OG 3.33Å; D151-S153 VanDerWaalsContact OD1-OG 3.06Å; D151-S153 PolarHBondContact OD2-OG 3.06Å; S153-N155 PolarHBondContact O-N 3.4Å; S153-C156 PolarHBondContact O-N 3.37Å; S153-C156 PolarHBondContact O-SG 2.95Å; S153-C156 VanDerWaalsContact O-SG 3.42Å
154	H	89.2	Confident	89.5	Confident	29 Å²	29	73.7 Å²	73.7	13%	0.134	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-70.1	-15.1	172.1	67.2	-89.4	0	0	0	114.1	K75 C141 C150 G152 C156 V159 Q160	K75-H154 WeakPolarHBondContact O-CB 3.49Å; K75-H154 PolarHBondContact O-CD2 2.62Å; C141-H154 HydrophobicContact CB-CB 4.03Å; C150-H154 PolarHBondContact SG-CE1 3.19Å; C150-H154 PolarHBondContact SG-ND1 3.42Å; G152-H154 PolarHBondContact O-N 3.35Å; H154-C156 VanDerWaalsContact C-N 3.32Å; H154-V159 HydrophobicContact CB-CG1 4.35Å; H154-V159 WeakPolarHBondContact O-CG1 3.28Å; H154-Q160 PolarHBondContact O-NE2 2.83Å
155	N	91.4	Very high	88.5	Confident	109 Å²	109	83.8 Å²	83.8	58%	0.583	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-81.3	-11.8	177.7	-69.3	-23.9	0	0	0	113.3	G152 S153	G152-N155 WeakPolarHBondContact O-CB 2.95Å; G152-N155 PolarHBondContact O-N 3.45Å; S153-N155 PolarHBondContact O-N 3.4Å
156	C	89.9	Confident	88.6	Confident	67 Å²	67	83.4 Å²	83.4	45%	0.453	41%	0.414	S	S	.	.	S	Bend	trans	-59	143.2	175.9	-61.7	0	0	0	0	111.5	S153 H154 E158 V159 Q160	S153-C156 PolarHBondContact O-N 3.37Å; S153-C156 PolarHBondContact O-SG 2.95Å; S153-C156 VanDerWaalsContact O-SG 3.42Å; H154-C156 VanDerWaalsContact C-N 3.32Å; C156-E158 PolarHBondContact O-N 3.18Å; C156-V159 PolarHBondContact O-N 2.96Å; C156-Q160 PolarHBondContact O-N 3.04Å; C156-Q160 VanDerWaalsContact O-N 3.08Å
157	E	90.7	Very high	88.6	Confident	171 Å²	171	80.8 Å²	80.8	80%	0.799	40%	0.403	S	S	*	.	H	α-helix	trans	-58	-33.5	-178.3	-62.8	178.5	-178.9	0	0	112.5	V159 Q160 S161	E157-V159 VanDerWaalsContact C-N 3.29Å; E157-V159 PolarHBondContact O-N 3.35Å; E157-Q160 PolarHBondContact O-N 3.4Å; E157-S161 VanDerWaalsContact O-CB 3.28Å; E157-S161 WeakPolarHBondContact O-CB 3.02Å; E157-S161 PolarHBondContact O-N 3.14Å; E157-S161 PolarHBondContact O-OG 2.88Å
158	E	88.5	Confident	88.7	Confident	122 Å²	122	83.2 Å²	83.2	57%	0.57	41%	0.412	S	S	*	.	H	α-helix	trans	-57.9	-40	174.3	-65.3	-169.9	-174.3	0	0	112.5	K69 C156 S161	K69-E158 IonicContact NZ-OE1 3.89Å; K69-E158 IonicContact NZ-OE2 3.85Å; K69-E158 PolarHBondContact NZ-OE2 3.34Å; C156-E158 PolarHBondContact O-N 3.18Å; E158-S161 PolarHBondContact O-OG 3.08Å
159	V	89.5	Confident	88.5	Confident	4 Å²	4	87.8 Å²	87.8	2%	0.024	43%	0.434	C	S	.	.	H	α-helix	trans	-78	-41.5	-179.3	178.3	0	0	0	0	110.1	I72 K75 C141 Q143 H154 C156 E157 S161 K162	I72-V159 HydrophobicContact CD1-CB 4.08Å; I72-V159 HydrophobicContact CD1-CG1 4.05Å; I72-V159 HydrophobicContact CD1-CG2 3.93Å; I72-V159 HydrophobicContact CG2-CG1 4.03Å; K75-V159 HydrophobicContact CG-CG1 4.49Å; C141-V159 HydrophobicContact CB-CG1 3.72Å; C141-V159 HydrophobicContact CB-CG2 4.42Å; Q143-V159 HydrophobicContact CB-CG2 4.41Å; Q143-V159 HydrophobicContact CG-CG2 4.09Å; H154-V159 HydrophobicContact CB-CG1 4.35Å; H154-V159 WeakPolarHBondContact O-CG1 3.28Å; C156-V159 PolarHBondContact O-N 2.96Å; E157-V159 VanDerWaalsContact C-N 3.29Å; E157-V159 PolarHBondContact O-N 3.35Å; V159-S161 PolarHBondContact O-N 2.85Å; V159-K162 PolarHBondContact O-N 2.79Å
160	Q	90.1	Very high	88.1	Confident	71 Å²	71	87.4 Å²	87.4	33%	0.332	44%	0.438	S	S	.	.	H	α-helix	trans	-68.6	-33.1	-178.4	-66.8	-60.5	-22.6	0	0	113	K75 H154 C156 E157	K75-Q160 WeakPolarHBondContact CE-O 3.15Å; K75-Q160 PolarHBondContact NZ-O 3.49Å; H154-Q160 PolarHBondContact O-NE2 2.83Å; C156-Q160 PolarHBondContact O-N 3.04Å; C156-Q160 VanDerWaalsContact O-N 3.08Å; E157-Q160 PolarHBondContact O-N 3.4Å
161	S	91.1	Very high	87.7	Confident	79 Å²	79	90.7 Å²	90.7	55%	0.552	45%	0.45	S	S	*	.	H	α-helix	trans	-74.6	-25.7	177.5	57.7	0	0	0	0	114.1	E157 E158 V159	E157-S161 VanDerWaalsContact O-CB 3.28Å; E157-S161 WeakPolarHBondContact O-CB 3.02Å; E157-S161 PolarHBondContact O-N 3.14Å; E157-S161 PolarHBondContact O-OG 2.88Å; E158-S161 PolarHBondContact O-OG 3.08Å; V159-S161 PolarHBondContact O-N 2.85Å
162	K	88.1	Confident	87.4	Confident	136 Å²	136	93.4 Å²	93.4	59%	0.591	46%	0.462	S	S	*	.	H	α-helix	trans	-79.1	-28	-166.6	-158.9	150.1	-178.8	176.2	0	115	I72 V159	I72-K162 HydrophobicContact CD1-CB 4.04Å; I72-K162 HydrophobicContact CD1-CD 3.68Å; I72-K162 HydrophobicContact CD1-CG 4.28Å; I72-K162 HydrophobicContact CG1-CD 4.09Å; V159-K162 PolarHBondContact O-N 2.79Å
163	I	83	Confident	87.1	Confident	39 Å²	39	98.5 Å²	98.5	20%	0.2	48%	0.477	C	S	.	.			trans	-111.5	107.9	175.4	-62.1	166.6	0	0	0	107.8	I72 K75 Y165	I72-I163 HydrophobicContact CB-CD1 4.45Å; I72-I163 HydrophobicContact CG2-CD1 3.7Å; I72-I163 HydrophobicContact CG2-CG1 4.44Å; K75-I163 HydrophobicContact CD-CB 4.29Å; K75-I163 WeakPolarHBondContact CE-O 3.19Å; K75-I163 HydrophobicContact CG-CB 4.34Å; K75-I163 HydrophobicContact CG-CD1 4.27Å; K75-I163 PolarHBondContact NZ-O 2.65Å; I163-Y165 HydrophobicContact CG2-CE1 4.32Å
164	K	77.8	Confident	86.7	Confident	192 Å²	192	104.2 Å²	104.2	84%	0.835	50%	0.498	S	S	*	.			trans	-87.9	124.9	166.5	-63.9	-177.8	-179.6	-177.5	0	107.2
165	Y	71.2	Confident	86.5	Confident	231 Å²	231	111 Å²	111	91%	0.906	53%	0.531	S	S	*	.			trans	-80.1	0	170	-69.2	-70.8	0	0	0	109.7	K75 I163	K75-Y165 HydrophobicContact CD-CE2 3.81Å; I163-Y165 HydrophobicContact CG2-CE1 4.32Å

Retrieved 165 of 165 residues in 64.3 ms (Link to these results)

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