A0A096LX93_POEFO Loading...

UBP-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LX93, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 169 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	34.6	Very low	43.3	Very low	237 Å²	237	156.5 Å²	156.5	100%	1.167	80%	0.795	S	S	*	*				0	136.7	0	-85.5	171.7	165.5	0	0	108.4
2	R	45.8	Very low	42.8	Very low	225 Å²	225	151.8 Å²	151.8	85%	0.849	80%	0.798	S	S	*	*			trans	16.6	146.4	159.1	-63.4	-178.3	162.5	88.6	0.8	120.2
3	L	41.9	Very low	42.4	Very low	135 Å²	135	151.3 Å²	151.3	71%	0.707	80%	0.797	S	S	*	*			cis	-174.8	147.8	-8.8	-92.4	171.9	0	0	0	106.6
4	K	42.3	Very low	42.7	Very low	171 Å²	171	151.3 Å²	151.3	74%	0.743	79%	0.793	S	S	*	*			trans	37.8	119.4	143.1	-86	133.2	166.1	-179.1	0	121.8
5	D	42.9	Very low	42.5	Very low	142 Å²	142	150.1 Å²	150.1	76%	0.759	79%	0.794	S	S	*	*				84.4	163.3	78.1	-80.4	-59.8	0	0	0	113.4
6	P	59.4	Low	42.7	Very low	93 Å²	93	151.4 Å²	151.4	60%	0.604	79%	0.791	S	S	*	*			cis	-144.4	-169.6	-14.1	23.8	3.7	0	0	0	115.7
7	F	37.8	Very low	42.8	Very low	189 Å²	189	154.5 Å²	154.5	83%	0.829	79%	0.79	S	S	*	*			trans	85.7	141.7	162.4	-61.1	-79.3	0	0	0	118
8	S	44	Very low	43.2	Very low	94 Å²	94	152.2 Å²	152.2	66%	0.657	79%	0.785	S	S	*	*			cis	-172.8	130.2	-23.7	-109.3	0	0	0	0	106.6
9	L	49.1	Very low	43	Very low	146 Å²	146	152.6 Å²	152.6	76%	0.764	79%	0.788	S	S	*	*			trans	20.4	136.3	134.7	-56.6	177.7	0	0	0	117.9
10	K	42	Very low	43.4	Very low	185 Å²	185	154.7 Å²	154.7	80%	0.804	79%	0.791	S	S	*	*			cis	179	169.7	29.8	-116.1	172.2	-172.7	-172.1	0	110.5
11	A	36.3	Very low	43.5	Very low	104 Å²	104	153.3 Å²	153.3	86%	0.86	79%	0.792	S	S	*	*			trans	99.8	121.3	147	0	0	0	0	0	119.4
12	A	37.8	Very low	44	Very low	101 Å²	101	153.1 Å²	153.1	84%	0.835	78%	0.779	S	S	*	*			trans	-149.8	155.6	170.7	0	0	0	0	0	105.3
13	D	37.3	Very low	44.2	Very low	145 Å²	145	152 Å²	152	78%	0.775	78%	0.78	S	S	*	*			cis	-162.2	171.8	-15.2	-169	-86.8	0	0	0	104.9
14	M	46.6	Very low	45	Very low	151 Å²	151	151.2 Å²	151.2	74%	0.744	78%	0.783	S	S	*	*			trans	-76.5	163.1	-178.5	-62.1	-86.3	86	0	0	113.1
15	T	39.5	Very low	45.3	Very low	133 Å²	133	155 Å²	155	82%	0.816	79%	0.792	S	S	*	*				146	125.3	122.4	53.8	0	0	0	0	117.3
16	K	46.4	Very low	45.8	Very low	172 Å²	172	155 Å²	155	75%	0.748	79%	0.793	S	S	*	*			trans	41.6	129.6	137	-99.7	-175.2	167.4	169.1	0	124
17	R	44.6	Very low	45.5	Very low	204 Å²	204	158.5 Å²	158.5	77%	0.77	80%	0.801	S	S	*	*				121.5	125.4	114.3	-95.1	173.7	165.1	178.3	-7.3	119.7
18	T	49.9	Very low	46.2	Very low	113 Å²	113	157.9 Å²	157.9	69%	0.693	80%	0.8	S	S	*	*			trans	69	114.2	137	-58.5	0	0	0	0	121.1
19	N	38.8	Very low	46.8	Very low	159 Å²	159	158.3 Å²	158.3	85%	0.85	80%	0.803	S	S	*	*				175.9	147.7	114.4	-111.2	-15.5	0	0	0	112.7
20	K	50.1	Low	47.1	Very low	195 Å²	195	154.5 Å²	154.5	85%	0.848	79%	0.789	S	S	*	*			trans	-107.9	140.1	175.8	-162.4	179.5	-168.7	175.4	0	109.3
21	P	45.5	Very low	47.5	Very low	125 Å²	125	152.7 Å²	152.7	81%	0.812	79%	0.788	S	S	*	*			trans	-135.4	164.5	135.4	22.7	-2.3	0	0	0	113.8
22	R	46.5	Very low	48.2	Very low	234 Å²	234	154.4 Å²	154.4	88%	0.883	78%	0.778	S	S	*	*			trans	-82.8	144.8	-168.1	-56.4	172.3	175.4	-153.3	-1.6	113.4
23	K	49.8	Very low	48.9	Very low	202 Å²	202	155 Å²	155	88%	0.878	77%	0.771	S	S	*	*				165.3	161.6	117.2	-99.1	-162.8	176.6	-178.2	0	112.9
24	P	57.6	Low	49.5	Very low	118 Å²	118	153.5 Å²	153.5	77%	0.766	77%	0.772	S	S	*	*			trans	-90.1	156.6	-146.5	37.6	-34.3	0	0	0	112.8
25	R	48.6	Very low	49.7	Very low	250 Å²	250	149.4 Å²	149.4	94%	0.943	77%	0.769	S	S	*	*			trans	-141.1	111.5	166.4	-153.9	167.9	-174.8	178.2	-1.1	110.1
26	D	54	Low	50.9	Low	143 Å²	143	148.3 Å²	148.3	77%	0.765	76%	0.757	S	S	*	*			trans	-51.3	159.6	164	-113.6	-83.8	0	0	0	112.5
27	E	54.1	Low	52.6	Low	165 Å²	165	143.4 Å²	143.4	77%	0.771	74%	0.742	S	S	*	*			trans	67.5	105.9	154.1	-86.1	-82.9	96.8	0	0	118
28	E	52.7	Low	54.7	Low	177 Å²	177	133.9 Å²	133.9	83%	0.827	71%	0.707	S	S	*	*				-178.7	87.4	110.7	-172.6	168	83.7	0	0	108.4
29	S	56.3	Low	56.7	Low	103 Å²	103	136.4 Å²	136.4	72%	0.72	71%	0.71	S	S	*	*			trans	-94.7	83.3	156.9	-176.5	0	0	0	0	106.1	D31	S29-D31 PolarHBondContact O-N 2.6Å
30	S	53.6	Low	59.3	Low	66 Å²	66	130.2 Å²	130.2	46%	0.462	68%	0.676	S	S	.	*			trans	-62.8	100.1	172.2	-172.9	0	0	0	0	108.3	E32	S30-E32 VanDerWaalsContact CB-OE1 3.25Å; S30-E32 WeakPolarHBondContact CB-OE1 3.25Å; S30-E32 PolarHBondContact O-N 2.94Å; S30-E32 PolarHBondContact OG-OE1 2.94Å
31	D	50.7	Low	61.3	Low	146 Å²	146	121 Å²	121	78%	0.781	64%	0.636	S	S	*	*			trans	-64.1	89.4	161.7	-89.7	-67.1	0	0	0	107.6	S29 V33	S29-D31 PolarHBondContact O-N 2.6Å; D31-V33 VanDerWaalsContact C-N 3.28Å; D31-V33 PolarHBondContact O-N 2.69Å
32	E	51.5	Low	63.4	Low	141 Å²	141	120.4 Å²	120.4	66%	0.659	63%	0.626	S	S	*	*			trans	-64.2	85.4	173.7	-58	-66.3	143.7	0	0	109.8	S30 S34	S30-E32 VanDerWaalsContact CB-OE1 3.25Å; S30-E32 WeakPolarHBondContact CB-OE1 3.25Å; S30-E32 PolarHBondContact O-N 2.94Å; S30-E32 PolarHBondContact OG-OE1 2.94Å; E32-S34 PolarHBondContact O-N 3.08Å
33	V	53.2	Low	65.6	Low	113 Å²	113	114.2 Å²	114.2	69%	0.685	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	35.7	174.4	68.9	0	0	0	0	112.6	D31 L36	D31-V33 VanDerWaalsContact C-N 3.28Å; D31-V33 PolarHBondContact O-N 2.69Å; V33-L36 HydrophobicContact CG2-CD1 3.68Å; V33-L36 HydrophobicContact CG2-CG 4.35Å
34	S	48.8	Very low	67.8	Low	113 Å²	113	104.6 Å²	104.6	79%	0.79	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	5.5	-178.4	-64.2	0	0	0	0	113.4	E32	E32-S34 PolarHBondContact O-N 3.08Å
35	G	52.3	Low	69.6	Low	66 Å²	66	99.6 Å²	99.6	68%	0.68	53%	0.531	S	S	*	.	S	Bend	trans	-120.5	2.5	-172	0	0	0	0	0	117.7	T37	G35-T37 PolarHBondContact O-N 2.89Å
36	L	64.7	Low	71.9	Confident	110 Å²	110	89.9 Å²	89.9	58%	0.576	50%	0.498	S	S	*	.	S	Bend	trans	-86.1	-0.7	-167.2	-62.1	-179.5	0	0	0	115.8	V33 C137	V33-L36 HydrophobicContact CG2-CD1 3.68Å; V33-L36 HydrophobicContact CG2-CG 4.35Å; L36-C137 HydrophobicContact CB-CB 4.07Å; L36-C137 PolarHBondContact O-SG 3.14Å
37	T	81.3	Confident	73.9	Confident	69 Å²	69	84.9 Å²	84.9	42%	0.423	47%	0.471	S	S	.	.	S	Bend	trans	-122.7	129	-172.3	89.3	0	0	0	0	111	G35 Q39 C137	G35-T37 PolarHBondContact O-N 2.89Å; T37-Q39 PolarHBondContact O-N 3.44Å; T37-C137 WeakPolarHBondContact CG2-O 2.98Å
38	C	89.6	Confident	75.9	Confident	4 Å²	4	80.6 Å²	80.6	3%	0.027	46%	0.459	C	S	.	.			trans	-68.9	126.1	-179.7	174.2	0	0	0	0	110.7	H40 V41 C126 L133 N138	C38-H40 PolarHBondContact O-N 3.38Å; C38-H40 PolarHBondContact SG-ND1 2.96Å; C38-V41 HydrophobicContact CB-CG2 4.01Å; C38-V41 WeakPolarHBondContact O-CG2 3.34Å; C38-V41 PolarHBondContact O-N 3.11Å; C38-C126 VanDerWaalsContact SG-SG 3.7Å; C38-L133 HydrophobicContact CB-CD1 4.21Å; C38-L133 HydrophobicContact CB-CD2 3.35Å; C38-L133 HydrophobicContact CB-CG 4.43Å; C38-N138 PolarHBondContact N-OD1 3.34Å
39	Q	90.9	Very high	78	Confident	165 Å²	165	74.2 Å²	74.2	77%	0.771	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-27	-177.4	-61.1	-172.1	4.1	0	0	112.2	T37 V41	T37-Q39 PolarHBondContact O-N 3.44Å; Q39-V41 VanDerWaalsContact C-N 3.28Å; Q39-V41 PolarHBondContact O-N 3.38Å
40	H	93.3	Very high	80	Confident	30 Å²	30	69.3 Å²	69.3	14%	0.139	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.2	-177.6	-53.6	112	0	0	0	114.1	C38 N42 K43 A44 I115 C126 E128 C129	C38-H40 PolarHBondContact O-N 3.38Å; C38-H40 PolarHBondContact SG-ND1 2.96Å; H40-N42 PolarHBondContact O-N 3.42Å; H40-N42 VanDerWaalsContact O-N 3.11Å; H40-K43 PolarHBondContact O-N 2.86Å; H40-A44 WeakPolarHBondContact O-CB 3.24Å; H40-A44 PolarHBondContact O-N 2.82Å; H40-I115 HydrophobicContact CB-CD1 4.1Å; H40-I115 HydrophobicContact CB-CG1 4.48Å; H40-C126 PolarHBondContact ND1-SG 3.41Å; H40-E128 WeakPolarHBondContact CE1-CB 3.47Å; H40-C129 VanDerWaalsContact CE1-SG 3.57Å; H40-C129 PolarHBondContact ND1-SG 2.86Å; H40-C129 VanDerWaalsContact ND1-SG 3.38Å
41	V	92.3	Very high	82.1	Confident	0 Å²	0	70 Å²	70	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-54.6	-38.2	-175.2	174.7	0	0	0	0	112.8	C38 Q39 K43 V45 I115 L133 K139 L142	C38-V41 HydrophobicContact CB-CG2 4.01Å; C38-V41 WeakPolarHBondContact O-CG2 3.34Å; C38-V41 PolarHBondContact O-N 3.11Å; Q39-V41 VanDerWaalsContact C-N 3.28Å; Q39-V41 PolarHBondContact O-N 3.38Å; V41-K43 VanDerWaalsContact C-N 3.33Å; V41-K43 PolarHBondContact O-N 3.29Å; V41-V45 HydrophobicContact CG1-CB 4.46Å; V41-V45 HydrophobicContact CG1-CG2 4Å; V41-V45 VanDerWaalsContact O-CB 3.3Å; V41-V45 WeakPolarHBondContact O-CB 3.38Å; V41-V45 WeakPolarHBondContact O-CG2 3.31Å; V41-V45 PolarHBondContact O-N 3.28Å; V41-I115 HydrophobicContact CB-CD1 4.43Å; V41-I115 HydrophobicContact CG2-CD1 3.94Å; V41-L133 HydrophobicContact CG2-CD1 4.2Å; V41-K139 HydrophobicContact CB-CD 4.31Å; V41-K139 HydrophobicContact CG1-CB 3.89Å; V41-K139 HydrophobicContact CG1-CD 4.29Å; V41-K139 HydrophobicContact CG1-CG 4.39Å; V41-L142 HydrophobicContact CG1-CB 4.05Å
42	N	90.3	Very high	84.3	Confident	113 Å²	113	70.3 Å²	70.3	60%	0.604	39%	0.389	S	S	*	.	H	α-helix	trans	-68.1	-31.9	-179.8	-80.9	-7.6	0	0	0	113.4	H40 K139	H40-N42 PolarHBondContact O-N 3.42Å; H40-N42 VanDerWaalsContact O-N 3.11Å; N42-K139 PolarHBondContact ND2-NZ 3.11Å; N42-K139 WeakPolarHBondContact OD1-CD 3.27Å; N42-K139 PolarHBondContact OD1-NZ 2.79Å
43	K	92.4	Very high	86.4	Confident	105 Å²	105	64.8 Å²	64.8	46%	0.457	37%	0.366	S	S	.	.	H	α-helix	trans	-90.2	-40.3	-176.9	-66.6	178.5	-179.6	174.8	0	110.9	H40 V41 K87 E111	H40-K43 PolarHBondContact O-N 2.86Å; V41-K43 VanDerWaalsContact C-N 3.33Å; V41-K43 PolarHBondContact O-N 3.29Å; K43-K87 WeakPolarHBondContact O-CD 3.28Å; K43-K87 WeakPolarHBondContact O-CE 3.37Å; K43-K87 PolarHBondContact O-NZ 3.46Å; K43-E111 HydrophobicContact CD-CB 4.49Å; K43-E111 VanDerWaalsContact NZ-CD 3.25Å; K43-E111 IonicContact NZ-OE1 3.34Å; K43-E111 PolarHBondContact NZ-OE1 3.01Å; K43-E111 VanDerWaalsContact NZ-OE1 3.08Å; K43-E111 IonicContact NZ-OE2 3.09Å; K43-E111 PolarHBondContact NZ-OE2 3.3Å
44	A	95.5	Very high	88.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-98	-1.9	-168.3	0	0	0	0	0	115.1	H40 L86 K87 S112 I115	H40-A44 WeakPolarHBondContact O-CB 3.24Å; H40-A44 PolarHBondContact O-N 2.82Å; A44-L86 CarbonylContact O-C 3.21Å; A44-K87 VanDerWaalsContact O-CA 3.32Å; A44-K87 WeakPolarHBondContact O-CA 3.38Å; A44-K87 WeakPolarHBondContact O-CB 3.46Å; A44-K87 PolarHBondContact O-N 2.96Å; A44-S112 WeakPolarHBondContact CA-O 3.33Å; A44-I115 HydrophobicContact CB-CB 4.18Å; A44-I115 HydrophobicContact CB-CD1 3.81Å; A44-I115 HydrophobicContact CB-CG1 3.75Å
45	V	95.3	Very high	90.5	Very high	13 Å²	13	60 Å²	60	8%	0.079	33%	0.327	C	S	.	.			trans	-114.8	122.7	174.5	-175.3	0	0	0	0	110.6	V41 L86 I115 A141 L142 T145	V41-V45 HydrophobicContact CG1-CB 4.46Å; V41-V45 HydrophobicContact CG1-CG2 4Å; V41-V45 VanDerWaalsContact O-CB 3.3Å; V41-V45 WeakPolarHBondContact O-CB 3.38Å; V41-V45 WeakPolarHBondContact O-CG2 3.31Å; V41-V45 PolarHBondContact O-N 3.28Å; V45-L86 CarbonylContact C-O 3.28Å; V45-L86 WeakPolarHBondContact CA-O 3.36Å; V45-L86 HydrophobicContact CG1-CB 4.39Å; V45-L86 HydrophobicContact CG2-CB 4.03Å; V45-L86 HydrophobicContact CG2-CD1 4.21Å; V45-I115 HydrophobicContact CG2-CD1 4.11Å; V45-A141 HydrophobicContact CG1-CB 4.3Å; V45-L142 HydrophobicContact CG2-CD1 4.24Å; V45-T145 HydrophobicContact CG1-CG2 4.46Å; V45-T145 WeakPolarHBondContact CG1-OG1 3.39Å
46	D	96.4	Very high	92.4	Very high	45 Å²	45	61.5 Å²	61.5	24%	0.241	33%	0.327	C	S	.	.			trans	-138.1	99	173.9	178.6	-11.9	0	0	0	110.4	S48 S49 V50 L86 K87	D46-S48 PolarHBondContact O-N 2.77Å; D46-S48 WeakPolarHBondContact OD1-CA 3.44Å; D46-S48 WeakPolarHBondContact OD1-CB 3.4Å; D46-S48 PolarHBondContact OD1-N 3.05Å; D46-S49 VanDerWaalsContact CG-OG 3.24Å; D46-S49 PolarHBondContact O-N 3.33Å; D46-S49 PolarHBondContact OD1-N 3.46Å; D46-S49 WeakPolarHBondContact OD2-CB 3.44Å; D46-S49 PolarHBondContact OD2-OG 3.34Å; D46-V50 WeakPolarHBondContact O-CB 3.34Å; D46-V50 VanDerWaalsContact O-CG2 3.25Å; D46-V50 WeakPolarHBondContact O-CG2 3.44Å; D46-V50 PolarHBondContact O-N 3.28Å; D46-L86 PolarHBondContact N-O 3.45Å; D46-K87 HydrophobicContact CB-CD 4.13Å; D46-K87 WeakPolarHBondContact CB-O 3.1Å
47	L	95.9	Very high	93.6	Very high	38 Å²	38	58.7 Å²	58.7	20%	0.199	32%	0.317	C	S	.	.	H	α-helix	trans	-57.5	-35.9	179.4	-179.5	58.9	0	0	0	113.1	K51 Q144 T145 F148	L47-K51 HydrophobicContact CD1-CD 4.13Å; L47-K51 HydrophobicContact CD1-CG 4.08Å; L47-K51 HydrophobicContact CG-CD 4.04Å; L47-K51 HydrophobicContact CG-CG 4.41Å; L47-K51 VanDerWaalsContact O-CB 3.29Å; L47-K51 WeakPolarHBondContact O-CB 2.97Å; L47-K51 VanDerWaalsContact O-CG 3.23Å; L47-K51 WeakPolarHBondContact O-CG 3.48Å; L47-K51 PolarHBondContact O-N 3.34Å; L47-Q144 HydrophobicContact CD2-CB 4.19Å; L47-T145 HydrophobicContact CD1-CG2 4.28Å; L47-F148 HydrophobicContact CD1-CB 4.08Å; L47-F148 HydrophobicContact CD1-CD1 4.44Å; L47-F148 HydrophobicContact CD1-CG 4.34Å
48	S	97.3	Very high	94	Very high	75 Å²	75	60 Å²	60	52%	0.524	32%	0.324	S	S	.	.	H	α-helix	trans	-71.4	-45.1	-175	-60	0	0	0	0	110.5	D46 K52	D46-S48 PolarHBondContact O-N 2.77Å; D46-S48 WeakPolarHBondContact OD1-CA 3.44Å; D46-S48 WeakPolarHBondContact OD1-CB 3.4Å; D46-S48 PolarHBondContact OD1-N 3.05Å; S48-K52 VanDerWaalsContact O-CG 3.31Å; S48-K52 WeakPolarHBondContact O-CG 3.25Å; S48-K52 PolarHBondContact O-N 2.84Å; S48-K52 VanDerWaalsContact O-N 3.1Å
49	S	97.1	Very high	94.1	Very high	43 Å²	43	61.1 Å²	61.1	30%	0.301	33%	0.328	S	S	.	.	H	α-helix	trans	-65.1	-45	176.6	-64.5	0	0	0	0	111.1	D46 K51 K52 S53 K87	D46-S49 VanDerWaalsContact CG-OG 3.24Å; D46-S49 PolarHBondContact O-N 3.33Å; D46-S49 PolarHBondContact OD1-N 3.46Å; D46-S49 WeakPolarHBondContact OD2-CB 3.44Å; D46-S49 PolarHBondContact OD2-OG 3.34Å; S49-K51 PolarHBondContact O-N 2.86Å; S49-K52 PolarHBondContact O-N 2.98Å; S49-S53 PolarHBondContact O-N 3.11Å; S49-K87 VanDerWaalsContact CB-O 3.28Å; S49-K87 WeakPolarHBondContact CB-O 3.33Å
50	V	97.8	Very high	94.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.8	-48.9	175.4	171.5	0	0	0	0	111.5	D46 K52 S53 V54 L86 T145 F148 L149	D46-V50 WeakPolarHBondContact O-CB 3.34Å; D46-V50 VanDerWaalsContact O-CG2 3.25Å; D46-V50 WeakPolarHBondContact O-CG2 3.44Å; D46-V50 PolarHBondContact O-N 3.28Å; V50-K52 VanDerWaalsContact C-N 3.34Å; V50-K52 PolarHBondContact O-N 3.39Å; V50-S53 PolarHBondContact O-N 3.5Å; V50-V54 HydrophobicContact CG1-CG2 4.14Å; V50-V54 WeakPolarHBondContact O-CB 3.41Å; V50-V54 VanDerWaalsContact O-CG2 3.29Å; V50-V54 WeakPolarHBondContact O-CG2 3.2Å; V50-V54 PolarHBondContact O-N 3.25Å; V50-L86 WeakPolarHBondContact CG2-O 3.31Å; V50-T145 HydrophobicContact CB-CG2 4.29Å; V50-T145 HydrophobicContact CG1-CG2 4.02Å; V50-T145 HydrophobicContact CG2-CG2 4.22Å; V50-F148 HydrophobicContact CG1-CD1 4.47Å; V50-F148 HydrophobicContact CG1-CE1 4.44Å; V50-L149 HydrophobicContact CG1-CD1 4.46Å; V50-L149 HydrophobicContact CG1-CD2 3.77Å; V50-L149 HydrophobicContact CG1-CG 4.33Å
51	K	96.8	Very high	93.9	Very high	82 Å²	82	58.1 Å²	58.1	36%	0.357	32%	0.32	S	S	.	.	H	α-helix	trans	-56.2	-47.4	177.5	-82.2	176.8	175.4	177.2	0	112.1	L47 S49 L55 F148	L47-K51 HydrophobicContact CD1-CD 4.13Å; L47-K51 HydrophobicContact CD1-CG 4.08Å; L47-K51 HydrophobicContact CG-CD 4.04Å; L47-K51 HydrophobicContact CG-CG 4.41Å; L47-K51 VanDerWaalsContact O-CB 3.29Å; L47-K51 WeakPolarHBondContact O-CB 2.97Å; L47-K51 VanDerWaalsContact O-CG 3.23Å; L47-K51 WeakPolarHBondContact O-CG 3.48Å; L47-K51 PolarHBondContact O-N 3.34Å; S49-K51 PolarHBondContact O-N 2.86Å; K51-L55 WeakPolarHBondContact O-CB 3.27Å; K51-L55 WeakPolarHBondContact O-CG 3.27Å; K51-L55 PolarHBondContact O-N 2.74Å; K51-F148 HydrophobicContact CB-CE1 4.3Å; K51-F148 HydrophobicContact CB-CZ 4.17Å; K51-F148 HydrophobicContact CD-CD2 4.37Å; K51-F148 HydrophobicContact CD-CE2 4.4Å; K51-F148 HydrophobicContact CG-CD1 3.85Å; K51-F148 HydrophobicContact CG-CD2 3.92Å; K51-F148 HydrophobicContact CG-CE1 3.65Å; K51-F148 HydrophobicContact CG-CE2 3.72Å; K51-F148 HydrophobicContact CG-CG 3.99Å; K51-F148 HydrophobicContact CG-CZ 3.59Å
52	K	97.3	Very high	93.8	Very high	151 Å²	151	58.4 Å²	58.4	66%	0.657	32%	0.322	S	S	*	.	H	α-helix	trans	-60.1	-47.3	179.4	-73.3	173.6	-176	179.2	0	111.3	S48 S49 V50 S56	S48-K52 VanDerWaalsContact O-CG 3.31Å; S48-K52 WeakPolarHBondContact O-CG 3.25Å; S48-K52 PolarHBondContact O-N 2.84Å; S48-K52 VanDerWaalsContact O-N 3.1Å; S49-K52 PolarHBondContact O-N 2.98Å; V50-K52 VanDerWaalsContact C-N 3.34Å; V50-K52 PolarHBondContact O-N 3.39Å; K52-S56 WeakPolarHBondContact O-CB 3.35Å; K52-S56 PolarHBondContact O-N 3.32Å; K52-S56 PolarHBondContact O-OG 3.12Å
53	S	96.3	Very high	93.8	Very high	26 Å²	26	55 Å²	55	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-49.7	-179.8	-177	0	0	0	0	112	S49 V50 L55 S56 S57 C88 G89	S49-S53 PolarHBondContact O-N 3.11Å; V50-S53 PolarHBondContact O-N 3.5Å; S53-L55 VanDerWaalsContact C-N 3.34Å; S53-L55 PolarHBondContact O-N 3.3Å; S53-S56 PolarHBondContact O-N 3.36Å; S53-S56 VanDerWaalsContact O-N 3.12Å; S53-S56 PolarHBondContact O-OG 3.35Å; S53-S56 VanDerWaalsContact O-OG 3.11Å; S53-S57 VanDerWaalsContact O-CB 3.26Å; S53-S57 WeakPolarHBondContact O-CB 3.39Å; S53-S57 PolarHBondContact O-N 2.93Å; S53-S57 PolarHBondContact O-OG 2.98Å; S53-C88 WeakPolarHBondContact CB-O 3.22Å; S53-C88 PolarHBondContact OG-O 2.94Å; S53-G89 PolarHBondContact OG-O 2.92Å
54	V	94.3	Very high	93.7	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.012	29%	0.293	C	S	.	.	H	α-helix	trans	-63.7	-39	-177.2	170.5	0	0	0	0	112.1	V50 S56 W59 F148 L149 H152	V50-V54 HydrophobicContact CG1-CG2 4.14Å; V50-V54 WeakPolarHBondContact O-CB 3.41Å; V50-V54 VanDerWaalsContact O-CG2 3.29Å; V50-V54 WeakPolarHBondContact O-CG2 3.2Å; V50-V54 PolarHBondContact O-N 3.25Å; V54-S56 VanDerWaalsContact C-N 3.28Å; V54-S56 PolarHBondContact O-N 3.35Å; V54-W59 HydrophobicContact CB-CZ3 4.46Å; V54-W59 HydrophobicContact CG1-CE3 3.83Å; V54-W59 HydrophobicContact CG1-CZ3 3.85Å; V54-W59 HydrophobicContact CG2-CE3 4.38Å; V54-W59 HydrophobicContact CG2-CZ3 3.8Å; V54-F148 HydrophobicContact CB-CE1 4.16Å; V54-F148 HydrophobicContact CB-CZ 4.43Å; V54-F148 HydrophobicContact CG1-CE1 4.17Å; V54-F148 HydrophobicContact CG1-CZ 4.25Å; V54-F148 HydrophobicContact CG2-CE1 4.46Å; V54-L149 HydrophobicContact CG2-CD2 3.75Å; V54-H152 HydrophobicContact CG1-CB 4.41Å; V54-H152 WeakPolarHBondContact CG1-CD2 3.45Å; V54-H152 WeakPolarHBondContact CG1-NE2 3.46Å
55	L	93.3	Very high	93.3	Very high	123 Å²	123	52.6 Å²	52.6	64%	0.644	30%	0.299	S	S	*	.	H	α-helix	trans	-75.5	-14.5	178.5	-65.5	174.1	0	0	0	113.9	K51 S53 F148	K51-L55 WeakPolarHBondContact O-CB 3.27Å; K51-L55 WeakPolarHBondContact O-CG 3.27Å; K51-L55 PolarHBondContact O-N 2.74Å; S53-L55 VanDerWaalsContact C-N 3.34Å; S53-L55 PolarHBondContact O-N 3.3Å; L55-F148 HydrophobicContact CG-CZ 4.49Å
56	S	92.6	Very high	92.8	Very high	97 Å²	97	57.4 Å²	57.4	68%	0.678	32%	0.324	S	S	*	.	H	α-helix	trans	-109	-3	-178.7	57.1	0	0	0	0	114	K52 S53 V54	K52-S56 WeakPolarHBondContact O-CB 3.35Å; K52-S56 PolarHBondContact O-N 3.32Å; K52-S56 PolarHBondContact O-OG 3.12Å; S53-S56 PolarHBondContact O-N 3.36Å; S53-S56 VanDerWaalsContact O-N 3.12Å; S53-S56 PolarHBondContact O-OG 3.35Å; S53-S56 VanDerWaalsContact O-OG 3.11Å; V54-S56 VanDerWaalsContact C-N 3.28Å; V54-S56 PolarHBondContact O-N 3.35Å
57	S	88.7	Confident	92.3	Very high	51 Å²	51	63.8 Å²	63.8	36%	0.357	34%	0.344	S	S	.	.	S	Bend	trans	-120.7	158.4	-174.8	-56.7	0	0	0	0	111.7	S53 W59	S53-S57 VanDerWaalsContact O-CB 3.26Å; S53-S57 WeakPolarHBondContact O-CB 3.39Å; S53-S57 PolarHBondContact O-N 2.93Å; S53-S57 PolarHBondContact O-OG 2.98Å; S57-W59 PolarHBondContact O-N 3.46Å
58	V	90.2	Very high	91.7	Very high	96 Å²	96	66.5 Å²	66.5	58%	0.582	36%	0.356	S	S	*	.			trans	-66.3	126.5	170.3	-176.6	0	0	0	0	108.9	V61 Q91	V58-V61 HydrophobicContact CG1-CB 4.16Å; V58-V61 HydrophobicContact CG1-CG2 3.71Å; V58-Q91 PolarHBondContact O-NE2 3.29Å
59	W	92.5	Very high	90.5	Very high	28 Å²	28	73.4 Å²	73.4	11%	0.106	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	148.4	-178.5	-173.1	-121.3	0	0	0	111.8	V54 S57 V61 V84 L119 W122 L149 H152 A156	V54-W59 HydrophobicContact CB-CZ3 4.46Å; V54-W59 HydrophobicContact CG1-CE3 3.83Å; V54-W59 HydrophobicContact CG1-CZ3 3.85Å; V54-W59 HydrophobicContact CG2-CE3 4.38Å; V54-W59 HydrophobicContact CG2-CZ3 3.8Å; S57-W59 PolarHBondContact O-N 3.46Å; W59-V61 VanDerWaalsContact C-N 3.25Å; W59-V61 PolarHBondContact O-N 3.18Å; W59-V84 HydrophobicContact CH2-CG2 4.08Å; W59-V84 HydrophobicContact CZ3-CG2 4.13Å; W59-L119 HydrophobicContact CH2-CD1 3.68Å; W59-L119 HydrophobicContact CH2-CD2 3.53Å; W59-L119 HydrophobicContact CH2-CG 4.28Å; W59-L119 HydrophobicContact CZ2-CD1 3.69Å; W59-L119 HydrophobicContact CZ2-CD2 3.63Å; W59-L119 HydrophobicContact CZ2-CG 4.29Å; W59-L119 HydrophobicContact CZ3-CD1 4.15Å; W59-W122 HydrophobicContact CZ2-CH2 4.4Å; W59-L149 HydrophobicContact CH2-CD2 3.84Å; W59-L149 HydrophobicContact CZ3-CD2 4.19Å; W59-H152 AromaticContact CD2-CD2 3.57Å; W59-H152 AromaticContact CD2-NE2 3.9Å; W59-H152 AromaticContact CE2-CD2 3.78Å; W59-H152 AromaticContact CE3-CD2 3.9Å; W59-H152 AromaticContact CG-CD2 3.84Å; W59-H152 AromaticContact CG-NE2 3.8Å; W59-A156 HydrophobicContact CG-CB 4.26Å
60	L	89.9	Confident	88.9	Confident	81 Å²	81	73.6 Å²	73.6	42%	0.424	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	21.6	-179.3	-52.2	176	0	0	0	114.9	L119	L60-L119 HydrophobicContact CD2-CB 4.12Å; L60-L119 HydrophobicContact CD2-CD1 3.64Å; L60-L119 HydrophobicContact CD2-CG 4.48Å
61	V	89.2	Confident	86.9	Confident	52 Å²	52	81.9 Å²	81.9	32%	0.315	41%	0.411	S	S	.	.	S	Bend	trans	-126.9	133.1	-178.8	179.4	0	0	0	0	109.9	V58 W59 S63 L66 Q91	V58-V61 HydrophobicContact CG1-CB 4.16Å; V58-V61 HydrophobicContact CG1-CG2 3.71Å; W59-V61 VanDerWaalsContact C-N 3.25Å; W59-V61 PolarHBondContact O-N 3.18Å; V61-S63 PolarHBondContact O-N 3.34Å; V61-L66 HydrophobicContact CG1-CB 4.36Å; V61-Q91 WeakPolarHBondContact O-CB 3.45Å
62	C	91.1	Very high	84.9	Confident	6 Å²	6	80.3 Å²	80.3	4%	0.041	41%	0.406	C	S	.	.			trans	-68.7	120	171.5	179.5	0	0	0	0	110.3	E64 C65 L66 I82 Q91 C93	C62-E64 VanDerWaalsContact C-N 3.26Å; C62-E64 PolarHBondContact O-N 3.31Å; C62-C65 HydrophobicContact CB-CB 3.98Å; C62-C65 PolarHBondContact O-N 2.88Å; C62-L66 PolarHBondContact O-N 2.83Å; C62-L66 VanDerWaalsContact O-N 3.15Å; C62-I82 HydrophobicContact CB-CD1 4.01Å; C62-Q91 WeakPolarHBondContact CA-O 3.41Å; C62-C93 HydrophobicContact CB-CB 4.03Å; C62-C93 PolarHBondContact SG-N 2.89Å; C62-C93 VanDerWaalsContact SG-N 3.37Å
63	S	89.7	Confident	82.7	Confident	42 Å²	42	80.9 Å²	80.9	29%	0.294	42%	0.416	S	S	.	.	H	α-helix	trans	-64.1	-32.9	-177.3	-49.2	0	0	0	0	112.6	V61 R67 Q91	V61-S63 PolarHBondContact O-N 3.34Å; S63-R67 WeakPolarHBondContact O-CB 3.1Å; S63-R67 PolarHBondContact O-N 3.16Å; S63-R67 VanDerWaalsContact O-N 3.11Å; S63-Q91 PolarHBondContact N-O 3.16Å
64	E	90.6	Very high	80.6	Confident	34 Å²	34	83.3 Å²	83.3	16%	0.159	45%	0.446	C	S	.	.	H	α-helix	trans	-78.5	-43.7	-179.2	-65.4	-64.7	113	0	0	112.3	C62 L66 R67 E68 F90 H100	C62-E64 VanDerWaalsContact C-N 3.26Å; C62-E64 PolarHBondContact O-N 3.31Å; E64-L66 PolarHBondContact O-N 3.45Å; E64-R67 PolarHBondContact O-N 2.95Å; E64-R67 IonicContact OE1-CZ 2.61Å; E64-R67 IonicContact OE1-NE 2.88Å; E64-R67 PolarHBondContact OE1-NE 3.19Å; E64-R67 IonicContact OE1-NH1 3.02Å; E64-R67 IonicContact OE1-NH2 3.86Å; E64-R67 PolarHBondContact OE1-NH2 2.88Å; E64-R67 IonicContact OE2-CZ 3.36Å; E64-R67 IonicContact OE2-NE 3.02Å; E64-R67 IonicContact OE2-NH2 3.08Å; E64-R67 PolarHBondContact OE2-NH2 2.8Å; E64-E68 WeakPolarHBondContact O-CB 3.3Å; E64-E68 WeakPolarHBondContact O-CG 3.31Å; E64-E68 PolarHBondContact O-N 3.17Å; E64-F90 HydrophobicContact CG-CE2 3.81Å; E64-F90 HydrophobicContact CG-CZ 3.67Å; E64-H100 HydrophobicContact CB-CB 4.03Å; E64-H100 WeakPolarHBondContact CB-CD2 3.4Å; E64-H100 VanDerWaalsContact CB-CG 3.44Å; E64-H100 WeakPolarHBondContact CB-NE2 3.14Å; E64-H100 HydrophobicContact CG-CB 4.21Å
65	C	87.6	Confident	78.5	Confident	20 Å²	20	88.3 Å²	88.3	14%	0.135	47%	0.469	C	S	.	.	H	α-helix	trans	-56.5	-41.3	172.3	-66.6	0	0	0	0	111.3	C62 R67 R69 T70 H100	C62-C65 HydrophobicContact CB-CB 3.98Å; C62-C65 PolarHBondContact O-N 2.88Å; C65-R67 VanDerWaalsContact C-N 3.34Å; C65-R67 PolarHBondContact O-N 3.46Å; C65-R69 PolarHBondContact O-N 2.94Å; C65-T70 PolarHBondContact O-N 2.8Å; C65-H100 VanDerWaalsContact SG-CE1 3.6Å; C65-H100 PolarHBondContact SG-ND1 3.16Å
66	L	84.7	Confident	76.3	Confident	113 Å²	113	86.2 Å²	86.2	59%	0.592	46%	0.463	S	S	*	.	H	α-helix	trans	-62.4	-41.1	176.1	-177	62.9	0	0	0	111.8	V61 C62 E64	V61-L66 HydrophobicContact CG1-CB 4.36Å; C62-L66 PolarHBondContact O-N 2.83Å; C62-L66 VanDerWaalsContact O-N 3.15Å; E64-L66 PolarHBondContact O-N 3.45Å
67	R	85.1	Confident	74.2	Confident	179 Å²	179	85.8 Å²	85.8	68%	0.675	47%	0.465	S	S	*	.	H	α-helix	trans	-71.4	-45.5	-179.8	179.4	168.1	70.8	175.4	9.6	113.1	S63 E64 C65 R69	S63-R67 WeakPolarHBondContact O-CB 3.1Å; S63-R67 PolarHBondContact O-N 3.16Å; S63-R67 VanDerWaalsContact O-N 3.11Å; E64-R67 PolarHBondContact O-N 2.95Å; E64-R67 IonicContact OE1-CZ 2.61Å; E64-R67 IonicContact OE1-NE 2.88Å; E64-R67 PolarHBondContact OE1-NE 3.19Å; E64-R67 IonicContact OE1-NH1 3.02Å; E64-R67 IonicContact OE1-NH2 3.86Å; E64-R67 PolarHBondContact OE1-NH2 2.88Å; E64-R67 IonicContact OE2-CZ 3.36Å; E64-R67 IonicContact OE2-NE 3.02Å; E64-R67 IonicContact OE2-NH2 3.08Å; E64-R67 PolarHBondContact OE2-NH2 2.8Å; C65-R67 VanDerWaalsContact C-N 3.34Å; C65-R67 PolarHBondContact O-N 3.46Å; R67-R69 PolarHBondContact O-N 2.98Å
68	E	83.9	Confident	72.3	Confident	96 Å²	96	87.8 Å²	87.8	45%	0.449	49%	0.485	S	S	.	.	H	α-helix	trans	-72.2	-8.3	-179.7	-69.4	173.7	-176.1	0	0	112	E64 T70 H100	E64-E68 WeakPolarHBondContact O-CB 3.3Å; E64-E68 WeakPolarHBondContact O-CG 3.31Å; E64-E68 PolarHBondContact O-N 3.17Å; E68-T70 WeakPolarHBondContact CB-OG1 3.37Å; E68-T70 PolarHBondContact O-N 3.05Å; E68-T70 PolarHBondContact OE2-OG1 2.73Å; E68-H100 VanDerWaalsContact CD-NE2 3.32Å; E68-H100 IonicContact OE1-CD2 2.86Å; E68-H100 IonicContact OE1-NE2 3.64Å; E68-H100 PolarHBondContact OE1-NE2 3.43Å; E68-H100 IonicContact OE2-CE1 3.28Å; E68-H100 PolarHBondContact OE2-CE1 3.32Å; E68-H100 IonicContact OE2-NE2 2.69Å; E68-H100 PolarHBondContact OE2-NE2 2.96Å; E68-H100 VanDerWaalsContact OE2-NE2 3.09Å
69	R	71.4	Confident	70.8	Confident	219 Å²	219	85.9 Å²	85.9	83%	0.826	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	35	-169.4	-62.2	-172.5	-176	-157.7	1.4	111.6	C65 R67 M71	C65-R69 PolarHBondContact O-N 2.94Å; R67-R69 PolarHBondContact O-N 2.98Å; R69-M71 VanDerWaalsContact C-N 3.29Å; R69-M71 PolarHBondContact O-N 3.45Å
70	T	64.6	Low	70.1	Confident	48 Å²	48	85.6 Å²	85.6	29%	0.294	48%	0.475	S	S	.	.			trans	-70.1	94.7	178.9	-39.7	0	0	0	0	106.7	C65 E68 I72 I98	C65-T70 PolarHBondContact O-N 2.8Å; E68-T70 WeakPolarHBondContact CB-OG1 3.37Å; E68-T70 PolarHBondContact O-N 3.05Å; E68-T70 PolarHBondContact OE2-OG1 2.73Å; T70-I72 PolarHBondContact O-N 2.8Å; T70-I72 VanDerWaalsContact O-N 3.14Å; T70-I98 HydrophobicContact CG2-CD1 3.79Å
71	M	54.2	Low	70.1	Confident	173 Å²	173	83.3 Å²	83.3	85%	0.852	46%	0.463	S	S	*	.			trans	-65.4	111	166.2	-66.2	-69.8	-120.6	0	0	105.3	R69 D73	R69-M71 VanDerWaalsContact C-N 3.29Å; R69-M71 PolarHBondContact O-N 3.45Å; M71-D73 PolarHBondContact O-N 2.69Å
72	I	56.6	Low	70.3	Confident	49 Å²	49	81.6 Å²	81.6	25%	0.251	45%	0.452	S	S	.	.			trans	-67.2	107	173	-51	175.1	0	0	0	104.8	T70 G74 E75 H80	T70-I72 PolarHBondContact O-N 2.8Å; T70-I72 VanDerWaalsContact O-N 3.14Å; I72-G74 PolarHBondContact O-N 3.29Å; I72-G74 VanDerWaalsContact O-N 3.11Å; I72-E75 HydrophobicContact CG2-CB 4.31Å; I72-H80 WeakPolarHBondContact CD1-ND1 3.33Å
73	D	50.6	Low	70.5	Confident	164 Å²	164	81.9 Å²	81.9	88%	0.877	45%	0.453	S	S	*	.	S	Bend	trans	-64.2	112.6	-173.5	-155.4	12.9	0	0	0	109	M71 E75	M71-D73 PolarHBondContact O-N 2.69Å; D73-E75 PolarHBondContact O-N 3.02Å
74	G	52	Low	70.9	Confident	77 Å²	77	79.9 Å²	79.9	79%	0.794	44%	0.439	S	S	*	.	S	Bend	trans	79.3	-9.4	167.4	0	0	0	0	0	118.9	I72	I72-G74 PolarHBondContact O-N 3.29Å; I72-G74 VanDerWaalsContact O-N 3.11Å
75	E	49.2	Very low	71.2	Confident	106 Å²	106	78.3 Å²	78.3	50%	0.495	43%	0.432	S	S	.	.	S	Bend	trans	-108.7	131.1	175.5	-92.2	-75.8	112	0	0	110.5	I72 D73 A77 S79	I72-E75 HydrophobicContact CG2-CB 4.31Å; D73-E75 PolarHBondContact O-N 3.02Å; E75-A77 PolarHBondContact O-N 2.61Å; E75-S79 PolarHBondContact OE2-OG 3.36Å
76	P	47.7	Very low	71.7	Confident	80 Å²	80	77.4 Å²	77.4	52%	0.519	43%	0.426	S	S	.	.			trans	-56.6	131.6	-179.8	23.4	-31.5	0	0	0	109.1	A78 S79	P76-A78 PolarHBondContact O-N 3.33Å; P76-S79 PolarHBondContact O-N 3.35Å; P76-S79 PolarHBondContact O-OG 2.88Å; P76-S79 VanDerWaalsContact O-OG 3.11Å
77	A	49.7	Very low	72.3	Confident	88 Å²	88	74.8 Å²	74.8	73%	0.727	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-11.5	176.5	0	0	0	0	0	114	E75	E75-A77 PolarHBondContact O-N 2.61Å
78	A	48.5	Very low	72.8	Confident	93 Å²	93	68 Å²	68	77%	0.769	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-9.1	175	0	0	0	0	0	115.9	P76	P76-A78 PolarHBondContact O-N 3.33Å
79	S	58.2	Low	73.4	Confident	55 Å²	55	63.4 Å²	63.4	39%	0.385	37%	0.368	S	S	.	.	S	Bend	trans	-91.3	-5.1	-175.8	58.8	0	0	0	0	115.2	E75 P76	E75-S79 PolarHBondContact OE2-OG 3.36Å; P76-S79 PolarHBondContact O-N 3.35Å; P76-S79 PolarHBondContact O-OG 2.88Å; P76-S79 VanDerWaalsContact O-OG 3.11Å
80	H	77.8	Confident	74.6	Confident	23 Å²	23	54.7 Å²	54.7	11%	0.106	34%	0.336	C	S	.	.	S	Bend	trans	-99.7	134.1	-173.9	-51	107	0	0	0	112.5	I72 I82 Q95	I72-H80 WeakPolarHBondContact CD1-ND1 3.33Å; H80-I82 PolarHBondContact O-N 3.02Å; H80-Q95 WeakPolarHBondContact CD2-CG 3.28Å; H80-Q95 PolarHBondContact CD2-NE2 3.37Å; H80-Q95 VanDerWaalsContact CD2-NE2 3.31Å; H80-Q95 PolarHBondContact NE2-NE2 2.94Å
81	D	89.6	Confident	76.1	Confident	32 Å²	32	52.4 Å²	52.4	17%	0.171	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-66.4	129.1	172.9	-170	29.6	0	0	0	109.8	L83 N94 S118 N120	D81-L83 WeakPolarHBondContact OD2-CD2 3.3Å; D81-N94 PolarHBondContact O-N 3.04Å; D81-S118 PolarHBondContact OD1-OG 3.09Å; D81-S118 VanDerWaalsContact OD2-CB 3.3Å; D81-S118 WeakPolarHBondContact OD2-CB 3.47Å; D81-S118 PolarHBondContact OD2-OG 3.32Å; D81-N120 WeakPolarHBondContact OD1-CB 3.32Å; D81-N120 PolarHBondContact OD1-N 3.34Å
82	I	93.3	Very high	78	Confident	17 Å²	17	44.2 Å²	44.2	9%	0.087	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.7	173.8	-59.9	-59.9	0	0	0	107.8	C62 H80 Q91 C93 L119	C62-I82 HydrophobicContact CB-CD1 4.01Å; H80-I82 PolarHBondContact O-N 3.02Å; I82-Q91 HydrophobicContact CG2-CB 4.08Å; I82-C93 HydrophobicContact CD1-CB 4.19Å; I82-L119 HydrophobicContact CB-CD1 4.14Å; I82-L119 HydrophobicContact CG2-CD1 3.82Å; I82-L119 HydrophobicContact CG2-CG 4.49Å; I82-L119 WeakPolarHBondContact O-CG 3.3Å; I82-L119 PolarHBondContact O-N 2.99Å
83	L	95.9	Very high	79.7	Confident	12 Å²	12	42 Å²	42	6%	0.063	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	137.8	174.6	-55	-172.7	0	0	0	110.3	D81 Q91 G92 N94 A101 T116 I117 S118 F127	D81-L83 WeakPolarHBondContact OD2-CD2 3.3Å; L83-Q91 WeakPolarHBondContact O-CA 3.44Å; L83-G92 PolarHBondContact N-O 2.85Å; L83-G92 PolarHBondContact O-N 2.94Å; L83-N94 HydrophobicContact CD1-CB 3.75Å; L83-N94 HydrophobicContact CD2-CB 4.43Å; L83-N94 HydrophobicContact CG-CB 3.79Å; L83-A101 HydrophobicContact CB-CB 3.79Å; L83-A101 HydrophobicContact CD1-CB 3.75Å; L83-A101 HydrophobicContact CG-CB 4.1Å; L83-T116 HydrophobicContact CB-CG2 4.42Å; L83-I117 CarbonylContact C-O 3.53Å; L83-I117 VanDerWaalsContact CA-O 3.26Å; L83-I117 WeakPolarHBondContact CA-O 3.04Å; L83-S118 VanDerWaalsContact CD2-CA 3.46Å; L83-F127 HydrophobicContact CD1-CZ 4.47Å
84	V	97.5	Very high	81.5	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124	173.9	-175.3	0	0	0	0	110.2	W59 L86 F90 Q91 T116 I117 L119 L149	W59-V84 HydrophobicContact CH2-CG2 4.08Å; W59-V84 HydrophobicContact CZ3-CG2 4.13Å; V84-L86 PolarHBondContact O-N 3.19Å; V84-F90 CarbonylContact C-O 3.48Å; V84-F90 VanDerWaalsContact CA-O 3.3Å; V84-F90 WeakPolarHBondContact CA-O 3.26Å; V84-Q91 HydrophobicContact CG2-CG 4.08Å; V84-T116 CarbonylContact O-C 3.54Å; V84-T116 WeakPolarHBondContact O-CA 3.47Å; V84-I117 HydrophobicContact CB-CG2 3.96Å; V84-I117 PolarHBondContact N-O 3.2Å; V84-I117 PolarHBondContact O-N 3.3Å; V84-L119 HydrophobicContact CG2-CD1 3.65Å; V84-L119 HydrophobicContact CG2-CD2 3.6Å; V84-L119 HydrophobicContact CG2-CG 3.74Å; V84-L149 HydrophobicContact CG1-CD1 4.41Å; V84-L149 HydrophobicContact CG1-CD2 4.48Å
85	C	97.6	Very high	83	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.007	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	124.6	170.7	-179.4	0	0	0	0	110.5	K87 G89 F90 T116	C85-K87 PolarHBondContact O-N 3.17Å; C85-K87 PolarHBondContact SG-N 3.45Å; C85-G89 VanDerWaalsContact O-CA 3.24Å; C85-G89 WeakPolarHBondContact O-CA 3.4Å; C85-G89 PolarHBondContact O-N 2.7Å; C85-F90 HydrophobicContact CB-CB 4.13Å; C85-F90 PolarHBondContact N-O 3.42Å; C85-T116 HydrophobicContact CB-CG2 4.47Å
86	L	97.4	Very high	83.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-5.6	-178.4	-59.9	-165.8	0	0	0	113.7	A44 V45 D46 V50 V84 I115 I117 L142 T145 L146 L149	A44-L86 CarbonylContact O-C 3.21Å; V45-L86 CarbonylContact C-O 3.28Å; V45-L86 WeakPolarHBondContact CA-O 3.36Å; V45-L86 HydrophobicContact CG1-CB 4.39Å; V45-L86 HydrophobicContact CG2-CB 4.03Å; V45-L86 HydrophobicContact CG2-CD1 4.21Å; D46-L86 PolarHBondContact N-O 3.45Å; V50-L86 WeakPolarHBondContact CG2-O 3.31Å; V84-L86 PolarHBondContact O-N 3.19Å; L86-I115 HydrophobicContact CB-CB 4.48Å; L86-I115 HydrophobicContact CB-CG2 4.35Å; L86-I115 HydrophobicContact CD1-CG2 3.61Å; L86-I115 HydrophobicContact CG-CG2 4.07Å; L86-I115 PolarHBondContact N-O 3.31Å; L86-I117 HydrophobicContact CD2-CB 4.28Å; L86-I117 HydrophobicContact CD2-CG2 3.63Å; L86-L142 HydrophobicContact CD1-CD1 3.31Å; L86-T145 HydrophobicContact CD2-CG2 4.01Å; L86-L146 HydrophobicContact CD1-CD2 3.86Å; L86-L146 HydrophobicContact CD2-CD2 4.21Å; L86-L149 HydrophobicContact CD2-CD1 3.84Å
87	K	97.3	Very high	85.1	Confident	58 Å²	58	36.2 Å²	36.2	25%	0.252	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-45.8	174.6	-176	59.4	170.7	-174.7	0	112.6	K43 A44 D46 S49 C85 S112 H113	K43-K87 WeakPolarHBondContact O-CD 3.28Å; K43-K87 WeakPolarHBondContact O-CE 3.37Å; K43-K87 PolarHBondContact O-NZ 3.46Å; A44-K87 VanDerWaalsContact O-CA 3.32Å; A44-K87 WeakPolarHBondContact O-CA 3.38Å; A44-K87 WeakPolarHBondContact O-CB 3.46Å; A44-K87 PolarHBondContact O-N 2.96Å; D46-K87 HydrophobicContact CB-CD 4.13Å; D46-K87 WeakPolarHBondContact CB-O 3.1Å; S49-K87 VanDerWaalsContact CB-O 3.28Å; S49-K87 WeakPolarHBondContact CB-O 3.33Å; C85-K87 PolarHBondContact O-N 3.17Å; C85-K87 PolarHBondContact SG-N 3.45Å; K87-S112 VanDerWaalsContact CB-O 3.27Å; K87-S112 WeakPolarHBondContact CB-O 3.49Å; K87-S112 WeakPolarHBondContact CG-O 3.42Å; K87-H113 VanDerWaalsContact CG-CD2 3.46Å; K87-H113 WeakPolarHBondContact CG-CD2 3.06Å; K87-H113 WeakPolarHBondContact CG-NE2 3.38Å
88	C	96.7	Very high	86.5	Confident	37 Å²	37	34.2 Å²	34.2	25%	0.25	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	-8.7	-169.6	65.6	0	0	0	0	113.9	S53 F90 H113	S53-C88 WeakPolarHBondContact CB-O 3.22Å; S53-C88 PolarHBondContact OG-O 2.94Å; C88-F90 VanDerWaalsContact C-N 3.34Å; C88-F90 VanDerWaalsContact SG-CB 3.6Å; C88-H113 PolarHBondContact SG-CE1 3.03Å
89	G	96.6	Very high	88.3	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.205	C	C	.	.			trans	74.1	20.1	-177.3	0	0	0	0	0	114.5	S53 C85	S53-G89 PolarHBondContact OG-O 2.92Å; C85-G89 VanDerWaalsContact O-CA 3.24Å; C85-G89 WeakPolarHBondContact O-CA 3.4Å; C85-G89 PolarHBondContact O-N 2.7Å
90	F	96.1	Very high	89.9	Confident	35 Å²	35	31.4 Å²	31.4	15%	0.154	19%	0.188	C	C	.	.			trans	-61.6	135.1	170.3	171.9	-97.9	0	0	0	110.8	E64 V84 C85 C88 H100 H104	E64-F90 HydrophobicContact CG-CE2 3.81Å; E64-F90 HydrophobicContact CG-CZ 3.67Å; V84-F90 CarbonylContact C-O 3.48Å; V84-F90 VanDerWaalsContact CA-O 3.3Å; V84-F90 WeakPolarHBondContact CA-O 3.26Å; C85-F90 HydrophobicContact CB-CB 4.13Å; C85-F90 PolarHBondContact N-O 3.42Å; C88-F90 VanDerWaalsContact C-N 3.34Å; C88-F90 VanDerWaalsContact SG-CB 3.6Å; F90-H100 HydrophobicContact CZ-CB 4.43Å; F90-H104 HydrophobicContact CD1-CB 3.78Å; F90-H104 AromaticContact CD1-CD2 3.97Å; F90-H104 AromaticContact CD1-CE1 3.92Å; F90-H104 AromaticContact CD1-CG 3.47Å; F90-H104 VanDerWaalsContact CD1-CG 3.47Å; F90-H104 AromaticContact CD1-ND1 3.44Å; F90-H104 WeakPolarHBondContact CD1-ND1 3.32Å; F90-H104 AromaticContact CD2-ND1 3.91Å; F90-H104 HydrophobicContact CE1-CB 3.56Å; F90-H104 AromaticContact CE1-CG 3.79Å; F90-H104 AromaticContact CE1-ND1 3.89Å; F90-H104 AromaticContact CG-CE1 3.65Å; F90-H104 AromaticContact CG-CG 3.98Å; F90-H104 AromaticContact CG-ND1 3.45Å; F90-H104 WeakPolarHBondContact CG-ND1 3.49Å; F90-H104 HydrophobicContact CZ-CB 4.25Å
91	Q	95.7	Very high	90.7	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	110.4	177.2	-68.6	179.5	88.9	0	0	110.1	V58 V61 C62 S63 I82 L83 V84	V58-Q91 PolarHBondContact O-NE2 3.29Å; V61-Q91 WeakPolarHBondContact O-CB 3.45Å; C62-Q91 WeakPolarHBondContact CA-O 3.41Å; S63-Q91 PolarHBondContact N-O 3.16Å; I82-Q91 HydrophobicContact CG2-CB 4.08Å; L83-Q91 WeakPolarHBondContact O-CA 3.44Å; V84-Q91 HydrophobicContact CG2-CG 4.08Å
92	G	94.1	Very high	90.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	142	-177.4	0	0	0	0	0	112.2	L83	L83-G92 PolarHBondContact N-O 2.85Å; L83-G92 PolarHBondContact O-N 2.94Å
93	C	92.3	Very high	90.7	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.027	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	152.2	171.1	61.7	0	0	0	0	111.6	C62 I82 I98 Q99 H100 A101	C62-C93 HydrophobicContact CB-CB 4.03Å; C62-C93 PolarHBondContact SG-N 2.89Å; C62-C93 VanDerWaalsContact SG-N 3.37Å; I82-C93 HydrophobicContact CD1-CB 4.19Å; C93-I98 PolarHBondContact SG-O 2.93Å; C93-I98 VanDerWaalsContact SG-O 3.34Å; C93-Q99 CarbonylContact O-C 3.57Å; C93-H100 PolarHBondContact O-N 3.31Å; C93-H100 PolarHBondContact SG-ND1 2.96Å; C93-A101 PolarHBondContact O-N 3.28Å; C93-A101 VanDerWaalsContact O-N 3.17Å
94	N	88.9	Confident	90.6	Very high	66 Å²	66	34.4 Å²	34.4	35%	0.353	20%	0.201	S	C	.	.			trans	-123.5	68	173	-173.9	36.5	0	0	0	110.1	D81 L83	D81-N94 PolarHBondContact O-N 3.04Å; L83-N94 HydrophobicContact CD1-CB 3.75Å; L83-N94 HydrophobicContact CD2-CB 4.43Å; L83-N94 HydrophobicContact CG-CB 3.79Å
95	Q	82.2	Confident	90.3	Very high	44 Å²	44	35.7 Å²	35.7	21%	0.206	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-114	147	-177.7	-174.8	-172.7	12	0	0	111.4	H80 G97 I98 Q99	H80-Q95 WeakPolarHBondContact CD2-CG 3.28Å; H80-Q95 PolarHBondContact CD2-NE2 3.37Å; H80-Q95 VanDerWaalsContact CD2-NE2 3.31Å; H80-Q95 PolarHBondContact NE2-NE2 2.94Å; Q95-G97 PolarHBondContact O-N 2.73Å; Q95-I98 PolarHBondContact N-O 3.44Å; Q95-I98 CarbonylContact O-C 3.49Å; Q95-I98 VanDerWaalsContact O-C 3.28Å; Q95-I98 PolarHBondContact O-N 3.13Å; Q95-Q99 WeakPolarHBondContact O-CG 3.41Å
96	S	68.6	Low	90	Very high	118 Å²	118	42.3 Å²	42.3	83%	0.825	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	120.5	168	-59.5	0	0	0	0	111.5
97	G	72.8	Confident	89.7	Confident	76 Å²	76	47.7 Å²	47.7	78%	0.784	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.9	-35.1	-179.4	0	0	0	0	0	114.9	Q95	Q95-G97 PolarHBondContact O-N 2.73Å
98	I	79	Confident	89.2	Confident	46 Å²	46	49.2 Å²	49.2	24%	0.236	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-133.4	104.1	177.2	-53.3	-179.1	0	0	0	109.6	T70 C93 Q95 H100	T70-I98 HydrophobicContact CG2-CD1 3.79Å; C93-I98 PolarHBondContact SG-O 2.93Å; C93-I98 VanDerWaalsContact SG-O 3.34Å; Q95-I98 PolarHBondContact N-O 3.44Å; Q95-I98 CarbonylContact O-C 3.49Å; Q95-I98 VanDerWaalsContact O-C 3.28Å; Q95-I98 PolarHBondContact O-N 3.13Å; I98-H100 WeakPolarHBondContact CG2-CE1 3.26Å; I98-H100 WeakPolarHBondContact CG2-ND1 3.5Å
99	Q	86.3	Confident	88.1	Confident	84 Å²	84	53.5 Å²	53.5	39%	0.393	29%	0.294	S	S	.	.			trans	-118.8	74.4	-177.7	-63.1	176	74.5	0	0	110.1	C93 Q95 A101 V102 K103	C93-Q99 CarbonylContact O-C 3.57Å; Q95-Q99 WeakPolarHBondContact O-CG 3.41Å; Q99-A101 PolarHBondContact O-N 3.03Å; Q99-V102 HydrophobicContact CB-CB 3.91Å; Q99-V102 HydrophobicContact CB-CG2 3.93Å; Q99-V102 PolarHBondContact O-N 3.01Å; Q99-K103 WeakPolarHBondContact O-CG 3.17Å; Q99-K103 PolarHBondContact O-N 2.94Å
100	H	93.3	Very high	86.7	Confident	5 Å²	5	56.6 Å²	56.6	2%	0.023	31%	0.313	C	S	.	.	H	α-helix	trans	-64.9	-28.3	-179.2	-70.5	117.7	0	0	0	112.7	E64 C65 E68 F90 C93 I98 H104	E64-H100 HydrophobicContact CB-CB 4.03Å; E64-H100 WeakPolarHBondContact CB-CD2 3.4Å; E64-H100 VanDerWaalsContact CB-CG 3.44Å; E64-H100 WeakPolarHBondContact CB-NE2 3.14Å; E64-H100 HydrophobicContact CG-CB 4.21Å; C65-H100 VanDerWaalsContact SG-CE1 3.6Å; C65-H100 PolarHBondContact SG-ND1 3.16Å; E68-H100 VanDerWaalsContact CD-NE2 3.32Å; E68-H100 IonicContact OE1-CD2 2.86Å; E68-H100 IonicContact OE1-NE2 3.64Å; E68-H100 PolarHBondContact OE1-NE2 3.43Å; E68-H100 IonicContact OE2-CE1 3.28Å; E68-H100 PolarHBondContact OE2-CE1 3.32Å; E68-H100 IonicContact OE2-NE2 2.69Å; E68-H100 PolarHBondContact OE2-NE2 2.96Å; E68-H100 VanDerWaalsContact OE2-NE2 3.09Å; F90-H100 HydrophobicContact CZ-CB 4.43Å; C93-H100 PolarHBondContact O-N 3.31Å; C93-H100 PolarHBondContact SG-ND1 2.96Å; I98-H100 WeakPolarHBondContact CG2-CE1 3.26Å; I98-H100 WeakPolarHBondContact CG2-ND1 3.5Å; H100-H104 VanDerWaalsContact O-CB 3.26Å; H100-H104 WeakPolarHBondContact O-CB 3.45Å; H100-H104 PolarHBondContact O-N 2.8Å
101	A	92.9	Very high	85.6	Confident	2 Å²	2	58.2 Å²	58.2	2%	0.017	32%	0.321	C	S	.	.	H	α-helix	trans	-64.8	-41.1	172.5	0	0	0	0	0	112.7	L83 C93 Q99 H104 H105	L83-A101 HydrophobicContact CB-CB 3.79Å; L83-A101 HydrophobicContact CD1-CB 3.75Å; L83-A101 HydrophobicContact CG-CB 4.1Å; C93-A101 PolarHBondContact O-N 3.28Å; C93-A101 VanDerWaalsContact O-N 3.17Å; Q99-A101 PolarHBondContact O-N 3.03Å; A101-H104 WeakPolarHBondContact O-CB 3.35Å; A101-H104 PolarHBondContact O-N 3.34Å; A101-H105 PolarHBondContact O-N 3.23Å; A101-H105 VanDerWaalsContact O-N 3.16Å
102	V	91.5	Very high	85.2	Confident	29 Å²	29	59.7 Å²	59.7	18%	0.176	33%	0.332	C	S	.	.	H	α-helix	trans	-71.2	-44.9	178.1	178.1	0	0	0	0	110.8	Q99 H104 H105 Q106 F127	Q99-V102 HydrophobicContact CB-CB 3.91Å; Q99-V102 HydrophobicContact CB-CG2 3.93Å; Q99-V102 PolarHBondContact O-N 3.01Å; V102-H104 PolarHBondContact O-N 3.02Å; V102-H105 PolarHBondContact O-N 3.49Å; V102-H105 VanDerWaalsContact O-N 3.16Å; V102-Q106 HydrophobicContact CG1-CG 4.42Å; V102-Q106 WeakPolarHBondContact O-CG 3.3Å; V102-Q106 PolarHBondContact O-N 3.3Å; V102-F127 HydrophobicContact CG2-CE1 4.3Å
103	K	92.4	Very high	85.3	Confident	101 Å²	101	60.7 Å²	60.7	44%	0.439	34%	0.336	S	S	.	.	H	α-helix	trans	-57	-39.8	174.2	-71.3	178.9	-177.9	175.7	0	111.6	Q99 Q106 T107	Q99-K103 WeakPolarHBondContact O-CG 3.17Å; Q99-K103 PolarHBondContact O-N 2.94Å; K103-Q106 PolarHBondContact O-N 3.17Å; K103-T107 WeakPolarHBondContact O-CB 3.17Å; K103-T107 PolarHBondContact O-N 3.11Å; K103-T107 PolarHBondContact O-OG1 3.29Å
104	H	94.4	Very high	85.5	Confident	16 Å²	16	60.5 Å²	60.5	7%	0.074	34%	0.335	C	S	.	.	H	α-helix	trans	-57.9	-55.2	174.7	177.4	87.9	0	0	0	110.7	F90 H100 A101 V102 Q106 T107 F108 H113	F90-H104 HydrophobicContact CD1-CB 3.78Å; F90-H104 AromaticContact CD1-CD2 3.97Å; F90-H104 AromaticContact CD1-CE1 3.92Å; F90-H104 AromaticContact CD1-CG 3.47Å; F90-H104 VanDerWaalsContact CD1-CG 3.47Å; F90-H104 AromaticContact CD1-ND1 3.44Å; F90-H104 WeakPolarHBondContact CD1-ND1 3.32Å; F90-H104 AromaticContact CD2-ND1 3.91Å; F90-H104 HydrophobicContact CE1-CB 3.56Å; F90-H104 AromaticContact CE1-CG 3.79Å; F90-H104 AromaticContact CE1-ND1 3.89Å; F90-H104 AromaticContact CG-CE1 3.65Å; F90-H104 AromaticContact CG-CG 3.98Å; F90-H104 AromaticContact CG-ND1 3.45Å; F90-H104 WeakPolarHBondContact CG-ND1 3.49Å; F90-H104 HydrophobicContact CZ-CB 4.25Å; H100-H104 VanDerWaalsContact O-CB 3.26Å; H100-H104 WeakPolarHBondContact O-CB 3.45Å; H100-H104 PolarHBondContact O-N 2.8Å; A101-H104 WeakPolarHBondContact O-CB 3.35Å; A101-H104 PolarHBondContact O-N 3.34Å; V102-H104 PolarHBondContact O-N 3.02Å; H104-Q106 VanDerWaalsContact C-N 3.3Å; H104-Q106 PolarHBondContact O-N 3.33Å; H104-T107 PolarHBondContact O-N 3.21Å; H104-T107 VanDerWaalsContact O-N 3.11Å; H104-F108 AromaticContact CE1-CD2 3.44Å; H104-F108 VanDerWaalsContact CE1-CD2 3.44Å; H104-F108 WeakPolarHBondContact CE1-CD2 3.27Å; H104-F108 AromaticContact CE1-CE2 3.25Å; H104-F108 WeakPolarHBondContact CE1-CE2 3.43Å; H104-F108 AromaticContact CG-CD2 4Å; H104-F108 AromaticContact ND1-CD2 3.59Å; H104-F108 AromaticContact ND1-CE2 3.34Å; H104-F108 VanDerWaalsContact ND1-CE2 3.34Å; H104-F108 WeakPolarHBondContact ND1-CE2 3.35Å; H104-F108 AromaticContact NE2-CD2 3.8Å; H104-F108 VanDerWaalsContact O-CD2 3.27Å; H104-F108 WeakPolarHBondContact O-CD2 3.42Å; H104-F108 PolarHBondContact O-N 3.05Å; H104-F108 VanDerWaalsContact O-N 3.12Å; H104-H113 AromaticContact CD2-ND1 3.93Å; H104-H113 AromaticContact CE1-ND1 3.46Å; H104-H113 PolarHBondContact CE1-ND1 3.48Å; H104-H113 AromaticContact NE2-CE1 3.86Å; H104-H113 AromaticContact NE2-CG 3.79Å; H104-H113 AromaticContact NE2-ND1 2.88Å; H104-H113 PolarHBondContact NE2-ND1 3.38Å
105	H	90.8	Very high	85.8	Confident	26 Å²	26	57.3 Å²	57.3	12%	0.12	32%	0.318	C	S	.	.	H	α-helix	trans	-54.3	-44.8	176.5	165	52.4	0	0	0	112.6	A101 V102 T107 F108 F127 E128	A101-H105 PolarHBondContact O-N 3.23Å; A101-H105 VanDerWaalsContact O-N 3.16Å; V102-H105 PolarHBondContact O-N 3.49Å; V102-H105 VanDerWaalsContact O-N 3.16Å; H105-T107 VanDerWaalsContact C-N 3.3Å; H105-T107 PolarHBondContact O-N 3.37Å; H105-F108 PolarHBondContact O-N 2.89Å; H105-F127 HydrophobicContact CB-CD2 4.07Å; H105-F127 HydrophobicContact CB-CE2 4.38Å; H105-F127 AromaticContact CD2-CG 3.77Å; H105-F127 AromaticContact CG-CD2 3.94Å; H105-E128 IonicContact CE1-OE1 2.69Å; H105-E128 PolarHBondContact CE1-OE1 3.04Å; H105-E128 VanDerWaalsContact CE1-OE1 3.28Å; H105-E128 IonicContact NE2-OE1 3.54Å
106	Q	91.1	Very high	86.5	Confident	140 Å²	140	55.5 Å²	55.5	65%	0.654	31%	0.31	S	S	*	.	H	α-helix	trans	-65.9	-29.5	179.9	-69.6	172.2	-13	0	0	113.9	V102 K103 H104	V102-Q106 HydrophobicContact CG1-CG 4.42Å; V102-Q106 WeakPolarHBondContact O-CG 3.3Å; V102-Q106 PolarHBondContact O-N 3.3Å; K103-Q106 PolarHBondContact O-N 3.17Å; H104-Q106 VanDerWaalsContact C-N 3.3Å; H104-Q106 PolarHBondContact O-N 3.33Å
107	T	91.6	Very high	87.9	Confident	113 Å²	113	49.9 Å²	49.9	69%	0.693	27%	0.271	S	S	*	.	H	α-helix	trans	-79	-37.4	-179.1	-57.7	0	0	0	0	111.6	K103 H104 H105	K103-T107 WeakPolarHBondContact O-CB 3.17Å; K103-T107 PolarHBondContact O-N 3.11Å; K103-T107 PolarHBondContact O-OG1 3.29Å; H104-T107 PolarHBondContact O-N 3.21Å; H104-T107 VanDerWaalsContact O-N 3.11Å; H105-T107 VanDerWaalsContact C-N 3.3Å; H105-T107 PolarHBondContact O-N 3.37Å
108	F	85.8	Confident	88.9	Confident	90 Å²	90	46.6 Å²	46.6	40%	0.395	24%	0.236	S	C	.	.	S	Bend	trans	-86.4	150	179	-73	-82.1	0	0	0	110.2	H104 H105 H113	H104-F108 AromaticContact CE1-CD2 3.44Å; H104-F108 VanDerWaalsContact CE1-CD2 3.44Å; H104-F108 WeakPolarHBondContact CE1-CD2 3.27Å; H104-F108 AromaticContact CE1-CE2 3.25Å; H104-F108 WeakPolarHBondContact CE1-CE2 3.43Å; H104-F108 AromaticContact CG-CD2 4Å; H104-F108 AromaticContact ND1-CD2 3.59Å; H104-F108 AromaticContact ND1-CE2 3.34Å; H104-F108 VanDerWaalsContact ND1-CE2 3.34Å; H104-F108 WeakPolarHBondContact ND1-CE2 3.35Å; H104-F108 AromaticContact NE2-CD2 3.8Å; H104-F108 VanDerWaalsContact O-CD2 3.27Å; H104-F108 WeakPolarHBondContact O-CD2 3.42Å; H104-F108 PolarHBondContact O-N 3.05Å; H104-F108 VanDerWaalsContact O-N 3.12Å; H105-F108 PolarHBondContact O-N 2.89Å; F108-H113 HydrophobicContact CB-CB 3.73Å; F108-H113 AromaticContact CD1-CE1 3.69Å; F108-H113 AromaticContact CD1-ND1 3.96Å; F108-H113 AromaticContact CD1-NE2 3.9Å; F108-H113 AromaticContact CD2-ND1 3.76Å; F108-H113 AromaticContact CE1-CE1 3.95Å; F108-H113 HydrophobicContact CG-CB 4.32Å; F108-H113 AromaticContact CG-CE1 3.82Å; F108-H113 AromaticContact CG-CG 3.83Å; F108-H113 AromaticContact CG-ND1 3.59Å
109	H	72.8	Confident	89.6	Confident	128 Å²	128	44.8 Å²	44.8	59%	0.593	23%	0.227	S	C	*	.			trans	-49.2	131.1	-179.3	-174	-82.6	0	0	0	110.1	E111 S112	H109-E111 VanDerWaalsContact C-N 3.29Å; H109-E111 PolarHBondContact O-N 3.49Å; H109-S112 PolarHBondContact O-N 2.9Å; H109-S112 PolarHBondContact O-OG 2.95Å
110	P	67.8	Low	89.8	Confident	64 Å²	64	45.5 Å²	45.5	42%	0.416	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-47.9	-162.4	4.2	-20.9	0	0	0	113.2	S112 C114 E128	P110-S112 PolarHBondContact O-N 2.84Å; P110-C114 VanDerWaalsContact O-CB 3.27Å; P110-C114 WeakPolarHBondContact O-CB 3.42Å; P110-E128 VanDerWaalsContact C-OE1 3.24Å; P110-E128 WeakPolarHBondContact CA-OE1 3.47Å; P110-E128 WeakPolarHBondContact CB-OE1 3.37Å
111	E	72.3	Confident	89.8	Confident	69 Å²	69	49 Å²	49	32%	0.322	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-17.7	-178.3	-60.1	-166.8	122.5	0	0	116.5	K43 H109 C114	K43-E111 HydrophobicContact CD-CB 4.49Å; K43-E111 VanDerWaalsContact NZ-CD 3.25Å; K43-E111 IonicContact NZ-OE1 3.34Å; K43-E111 PolarHBondContact NZ-OE1 3.01Å; K43-E111 VanDerWaalsContact NZ-OE1 3.08Å; K43-E111 IonicContact NZ-OE2 3.09Å; K43-E111 PolarHBondContact NZ-OE2 3.3Å; H109-E111 VanDerWaalsContact C-N 3.29Å; H109-E111 PolarHBondContact O-N 3.49Å; E111-C114 PolarHBondContact O-SG 2.8Å
112	S	88.8	Confident	89.8	Confident	32 Å²	32	52.1 Å²	52.1	22%	0.224	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-36.2	-167.3	65.7	0	0	0	0	112.6	A44 K87 H109 P110	A44-S112 WeakPolarHBondContact CA-O 3.33Å; K87-S112 VanDerWaalsContact CB-O 3.27Å; K87-S112 WeakPolarHBondContact CB-O 3.49Å; K87-S112 WeakPolarHBondContact CG-O 3.42Å; H109-S112 PolarHBondContact O-N 2.9Å; H109-S112 PolarHBondContact O-OG 2.95Å; P110-S112 PolarHBondContact O-N 2.84Å
113	H	96.3	Very high	89.9	Confident	21 Å²	21	55.5 Å²	55.5	10%	0.097	28%	0.279	C	S	.	.	S	Bend	trans	-126	36	-173.9	-73.8	-137.2	0	0	0	110.7	K87 C88 H104 F108	K87-H113 VanDerWaalsContact CG-CD2 3.46Å; K87-H113 WeakPolarHBondContact CG-CD2 3.06Å; K87-H113 WeakPolarHBondContact CG-NE2 3.38Å; C88-H113 PolarHBondContact SG-CE1 3.03Å; H104-H113 AromaticContact CD2-ND1 3.93Å; H104-H113 AromaticContact CE1-ND1 3.46Å; H104-H113 PolarHBondContact CE1-ND1 3.48Å; H104-H113 AromaticContact NE2-CE1 3.86Å; H104-H113 AromaticContact NE2-CG 3.79Å; H104-H113 AromaticContact NE2-ND1 2.88Å; H104-H113 PolarHBondContact NE2-ND1 3.38Å; F108-H113 HydrophobicContact CB-CB 3.73Å; F108-H113 AromaticContact CD1-CE1 3.69Å; F108-H113 AromaticContact CD1-ND1 3.96Å; F108-H113 AromaticContact CD1-NE2 3.9Å; F108-H113 AromaticContact CD2-ND1 3.76Å; F108-H113 AromaticContact CE1-CE1 3.95Å; F108-H113 HydrophobicContact CG-CB 4.32Å; F108-H113 AromaticContact CG-CE1 3.82Å; F108-H113 AromaticContact CG-CG 3.83Å; F108-H113 AromaticContact CG-ND1 3.59Å
114	C	95.5	Very high	90	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.258	C	S	.	.			trans	-90.2	-2	-176.4	58.9	0	0	0	0	115.3	P110 E111 C126 F127 E128	P110-C114 VanDerWaalsContact O-CB 3.27Å; P110-C114 WeakPolarHBondContact O-CB 3.42Å; E111-C114 PolarHBondContact O-SG 2.8Å; C114-C126 CarbonylContact O-C 3.52Å; C114-C126 WeakPolarHBondContact O-CA 3.42Å; C114-F127 HydrophobicContact CB-CB 4.47Å; C114-F127 WeakPolarHBondContact O-CD2 3.4Å; C114-F127 PolarHBondContact O-N 3.1Å; C114-E128 HydrophobicContact CB-CB 4.35Å; C114-E128 HydrophobicContact CB-CG 3.53Å
115	I	96	Very high	90	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.6	180	-55.3	177.8	0	0	0	109.9	H40 V41 A44 V45 L86 W125 C126 L133	H40-I115 HydrophobicContact CB-CD1 4.1Å; H40-I115 HydrophobicContact CB-CG1 4.48Å; V41-I115 HydrophobicContact CB-CD1 4.43Å; V41-I115 HydrophobicContact CG2-CD1 3.94Å; A44-I115 HydrophobicContact CB-CB 4.18Å; A44-I115 HydrophobicContact CB-CD1 3.81Å; A44-I115 HydrophobicContact CB-CG1 3.75Å; V45-I115 HydrophobicContact CG2-CD1 4.11Å; L86-I115 HydrophobicContact CB-CB 4.48Å; L86-I115 HydrophobicContact CB-CG2 4.35Å; L86-I115 HydrophobicContact CD1-CG2 3.61Å; L86-I115 HydrophobicContact CG-CG2 4.07Å; L86-I115 PolarHBondContact N-O 3.31Å; I115-W125 VanDerWaalsContact CA-O 3.31Å; I115-W125 WeakPolarHBondContact CA-O 3.41Å; I115-C126 HydrophobicContact CG1-CB 4.2Å; I115-L133 HydrophobicContact CD1-CD1 3.86Å; I115-L133 HydrophobicContact CG1-CD1 4.25Å; I115-L133 HydrophobicContact CG2-CD1 3.8Å
116	T	96.9	Very high	90.2	Very high	5 Å²	5	53 Å²	53	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	162.5	175.2	51.3	0	0	0	0	111.8	L83 V84 C85 A124 W125 F127	L83-T116 HydrophobicContact CB-CG2 4.42Å; V84-T116 CarbonylContact O-C 3.54Å; V84-T116 WeakPolarHBondContact O-CA 3.47Å; C85-T116 HydrophobicContact CB-CG2 4.47Å; T116-A124 CarbonylContact O-C 3.59Å; T116-A124 VanDerWaalsContact O-CA 3.27Å; T116-A124 WeakPolarHBondContact O-CA 3.37Å; T116-W125 PolarHBondContact N-O 2.91Å; T116-W125 PolarHBondContact O-N 2.69Å; T116-F127 HydrophobicContact CG2-CE2 3.71Å; T116-F127 VanDerWaalsContact OG1-CE2 3.3Å; T116-F127 WeakPolarHBondContact OG1-CE2 3.25Å
117	I	96.6	Very high	90.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	138.1	166.9	-179.1	161.1	0	0	0	111.1	L83 V84 L86 W122 K123 L146 L149	L83-I117 CarbonylContact C-O 3.53Å; L83-I117 VanDerWaalsContact CA-O 3.26Å; L83-I117 WeakPolarHBondContact CA-O 3.04Å; V84-I117 HydrophobicContact CB-CG2 3.96Å; V84-I117 PolarHBondContact N-O 3.2Å; V84-I117 PolarHBondContact O-N 3.3Å; L86-I117 HydrophobicContact CD2-CB 4.28Å; L86-I117 HydrophobicContact CD2-CG2 3.63Å; I117-W122 HydrophobicContact CD1-CB 4.45Å; I117-W122 HydrophobicContact CD1-CE3 3.75Å; I117-W122 HydrophobicContact CD1-CZ3 4.46Å; I117-W122 WeakPolarHBondContact CD1-O 3.14Å; I117-W122 HydrophobicContact CG1-CE3 4.43Å; I117-K123 WeakPolarHBondContact CA-O 3.33Å; I117-L146 HydrophobicContact CB-CD2 4.18Å; I117-L146 HydrophobicContact CD1-CB 4.33Å; I117-L146 HydrophobicContact CD1-CD1 3.91Å; I117-L146 HydrophobicContact CD1-CD2 3.38Å; I117-L146 HydrophobicContact CD1-CG 4.03Å; I117-L146 HydrophobicContact CG1-CD2 4.35Å; I117-L146 HydrophobicContact CG2-CD2 4.38Å; I117-L149 HydrophobicContact CG2-CD1 3.63Å
118	S	94.9	Very high	90.3	Very high	7 Å²	7	46.9 Å²	46.9	5%	0.049	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	129	168.9	162	0	0	0	0	111.1	D81 L83 N120 T121 W122 K123	D81-S118 PolarHBondContact OD1-OG 3.09Å; D81-S118 VanDerWaalsContact OD2-CB 3.3Å; D81-S118 WeakPolarHBondContact OD2-CB 3.47Å; D81-S118 PolarHBondContact OD2-OG 3.32Å; L83-S118 VanDerWaalsContact CD2-CA 3.46Å; S118-N120 VanDerWaalsContact C-N 3.29Å; S118-N120 PolarHBondContact OG-N 2.86Å; S118-T121 WeakPolarHBondContact CB-OG1 3.45Å; S118-T121 PolarHBondContact OG-N 2.92Å; S118-T121 PolarHBondContact OG-OG1 3.25Å; S118-W122 WeakPolarHBondContact O-CA 3.24Å; S118-W122 PolarHBondContact O-N 3.39Å; S118-K123 PolarHBondContact N-O 2.78Å
119	L	93.1	Very high	90.6	Very high	8 Å²	8	44.8 Å²	44.8	4%	0.042	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-16.5	176.3	-61.3	-174.6	0	0	0	112.9	W59 L60 I82 V84 W122	W59-L119 HydrophobicContact CH2-CD1 3.68Å; W59-L119 HydrophobicContact CH2-CD2 3.53Å; W59-L119 HydrophobicContact CH2-CG 4.28Å; W59-L119 HydrophobicContact CZ2-CD1 3.69Å; W59-L119 HydrophobicContact CZ2-CD2 3.63Å; W59-L119 HydrophobicContact CZ2-CG 4.29Å; W59-L119 HydrophobicContact CZ3-CD1 4.15Å; L60-L119 HydrophobicContact CD2-CB 4.12Å; L60-L119 HydrophobicContact CD2-CD1 3.64Å; L60-L119 HydrophobicContact CD2-CG 4.48Å; I82-L119 HydrophobicContact CB-CD1 4.14Å; I82-L119 HydrophobicContact CG2-CD1 3.82Å; I82-L119 HydrophobicContact CG2-CG 4.49Å; I82-L119 WeakPolarHBondContact O-CG 3.3Å; I82-L119 PolarHBondContact O-N 2.99Å; V84-L119 HydrophobicContact CG2-CD1 3.65Å; V84-L119 HydrophobicContact CG2-CD2 3.6Å; V84-L119 HydrophobicContact CG2-CG 3.74Å; L119-W122 HydrophobicContact CD2-CH2 3.95Å; L119-W122 HydrophobicContact CD2-CZ3 3.96Å
120	N	91.2	Very high	91.5	Very high	100 Å²	100	44.2 Å²	44.2	54%	0.535	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-45.9	175.3	-66.3	14	0	0	0	111.2	D81 S118	D81-N120 WeakPolarHBondContact OD1-CB 3.32Å; D81-N120 PolarHBondContact OD1-N 3.34Å; S118-N120 VanDerWaalsContact C-N 3.29Å; S118-N120 PolarHBondContact OG-N 2.86Å
121	T	92.6	Very high	92.7	Very high	78 Å²	78	45.4 Å²	45.4	48%	0.479	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-13.3	-172.1	65.9	0	0	0	0	114.2	S118 K123	S118-T121 WeakPolarHBondContact CB-OG1 3.45Å; S118-T121 PolarHBondContact OG-N 2.92Å; S118-T121 PolarHBondContact OG-OG1 3.25Å; T121-K123 PolarHBondContact O-N 3.45Å; T121-K123 VanDerWaalsContact O-N 3.16Å; T121-K123 PolarHBondContact OG1-N 2.83Å
122	W	93.8	Very high	93.7	Very high	67 Å²	67	46.6 Å²	46.6	25%	0.254	23%	0.231	S	C	.	.			trans	57.4	21.3	-173.3	-61.2	98.1	0	0	0	114.6	W59 I117 S118 L119 L149 Q150	W59-W122 HydrophobicContact CZ2-CH2 4.4Å; I117-W122 HydrophobicContact CD1-CB 4.45Å; I117-W122 HydrophobicContact CD1-CE3 3.75Å; I117-W122 HydrophobicContact CD1-CZ3 4.46Å; I117-W122 WeakPolarHBondContact CD1-O 3.14Å; I117-W122 HydrophobicContact CG1-CE3 4.43Å; S118-W122 WeakPolarHBondContact O-CA 3.24Å; S118-W122 PolarHBondContact O-N 3.39Å; L119-W122 HydrophobicContact CD2-CH2 3.95Å; L119-W122 HydrophobicContact CD2-CZ3 3.96Å; W122-L149 HydrophobicContact CH2-CB 4.42Å; W122-L149 WeakPolarHBondContact CH2-O 3.49Å; W122-L149 HydrophobicContact CZ3-CB 3.81Å; W122-Q150 HydrophobicContact CD2-CG 3.61Å; W122-Q150 HydrophobicContact CE3-CB 4.47Å; W122-Q150 HydrophobicContact CE3-CG 3.31Å; W122-Q150 HydrophobicContact CG-CG 4.31Å; W122-Q150 HydrophobicContact CH2-CB 4.44Å; W122-Q150 HydrophobicContact CH2-CG 4.04Å; W122-Q150 HydrophobicContact CZ2-CG 4.29Å; W122-Q150 HydrophobicContact CZ3-CB 4.29Å; W122-Q150 HydrophobicContact CZ3-CG 3.55Å
123	K	93.3	Very high	93.8	Very high	100 Å²	100	45.4 Å²	45.4	44%	0.435	22%	0.222	S	C	.	.			trans	-88.7	127.8	175.3	-71.9	162	162.8	-99	0	110.1	I117 S118 T121 E132	I117-K123 WeakPolarHBondContact CA-O 3.33Å; S118-K123 PolarHBondContact N-O 2.78Å; T121-K123 PolarHBondContact O-N 3.45Å; T121-K123 VanDerWaalsContact O-N 3.16Å; T121-K123 PolarHBondContact OG1-N 2.83Å; K123-E132 HydrophobicContact CB-CG 4.34Å; K123-E132 WeakPolarHBondContact CD-OE2 3.47Å; K123-E132 WeakPolarHBondContact CE-OE2 3.14Å; K123-E132 WeakPolarHBondContact CG-OE2 3.32Å; K123-E132 VanDerWaalsContact NZ-CD 3.28Å; K123-E132 IonicContact NZ-OE1 3.35Å; K123-E132 PolarHBondContact NZ-OE1 2.88Å; K123-E132 IonicContact NZ-OE2 3.02Å; K123-E132 PolarHBondContact NZ-OE2 3.38Å
124	A	94.8	Very high	93.1	Very high	2 Å²	2	47 Å²	47	2%	0.017	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	140	173	0	0	0	0	0	109.9	T116 E132 L133 L142 L146	T116-A124 CarbonylContact O-C 3.59Å; T116-A124 VanDerWaalsContact O-CA 3.27Å; T116-A124 WeakPolarHBondContact O-CA 3.37Å; A124-E132 CarbonylContact O-C 3.57Å; A124-E132 WeakPolarHBondContact O-CA 3.39Å; A124-E132 WeakPolarHBondContact O-CG 3.41Å; A124-L133 HydrophobicContact CB-CB 4.06Å; A124-L133 PolarHBondContact O-N 3.18Å; A124-L142 HydrophobicContact CB-CD1 4.3Å; A124-L146 HydrophobicContact CB-CD1 4.26Å
125	W	94.7	Very high	92	Very high	89 Å²	89	50 Å²	50	34%	0.337	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	138.2	-178.9	-173	-93.5	0	0	0	109.9	I115 T116 F127 N130 E131 E132	I115-W125 VanDerWaalsContact CA-O 3.31Å; I115-W125 WeakPolarHBondContact CA-O 3.41Å; T116-W125 PolarHBondContact N-O 2.91Å; T116-W125 PolarHBondContact O-N 2.69Å; W125-F127 AromaticContact CD1-CD1 3.86Å; W125-F127 AromaticContact CD1-CE1 3.96Å; W125-F127 AromaticContact NE1-CD1 3.95Å; W125-N130 WeakPolarHBondContact CZ2-O 3.31Å; W125-E131 VanDerWaalsContact CE3-C 3.49Å; W125-E132 HydrophobicContact CE3-CB 4.01Å; W125-E132 HydrophobicContact CZ3-CB 4.12Å
126	C	94.3	Very high	90.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.4	169.3	-176.3	0	0	0	0	109.8	C38 H40 C114 I115 C129 N130 E131 L133	C38-C126 VanDerWaalsContact SG-SG 3.7Å; H40-C126 PolarHBondContact ND1-SG 3.41Å; C114-C126 CarbonylContact O-C 3.52Å; C114-C126 WeakPolarHBondContact O-CA 3.42Å; I115-C126 HydrophobicContact CG1-CB 4.2Å; C126-C129 HydrophobicContact CB-CB 4.05Å; C126-N130 VanDerWaalsContact O-CA 3.31Å; C126-N130 WeakPolarHBondContact O-CA 3.29Å; C126-N130 PolarHBondContact O-N 3.37Å; C126-E131 PolarHBondContact N-O 3.05Å; C126-E131 PolarHBondContact O-N 3.34Å; C126-L133 HydrophobicContact CB-CD1 4.16Å; C126-L133 HydrophobicContact CB-CD2 3.96Å; C126-L133 HydrophobicContact CB-CG 4.14Å
127	F	92.9	Very high	88.7	Confident	45 Å²	45	60.4 Å²	60.4	20%	0.197	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-35.4	179.2	-70.1	-73.2	0	0	0	113.1	L83 V102 H105 C114 T116 W125 N130	L83-F127 HydrophobicContact CD1-CZ 4.47Å; V102-F127 HydrophobicContact CG2-CE1 4.3Å; H105-F127 HydrophobicContact CB-CD2 4.07Å; H105-F127 HydrophobicContact CB-CE2 4.38Å; H105-F127 AromaticContact CD2-CG 3.77Å; H105-F127 AromaticContact CG-CD2 3.94Å; C114-F127 HydrophobicContact CB-CB 4.47Å; C114-F127 WeakPolarHBondContact O-CD2 3.4Å; C114-F127 PolarHBondContact O-N 3.1Å; T116-F127 HydrophobicContact CG2-CE2 3.71Å; T116-F127 VanDerWaalsContact OG1-CE2 3.3Å; T116-F127 WeakPolarHBondContact OG1-CE2 3.25Å; W125-F127 AromaticContact CD1-CD1 3.86Å; W125-F127 AromaticContact CD1-CE1 3.96Å; W125-F127 AromaticContact NE1-CD1 3.95Å; F127-N130 PolarHBondContact O-N 3Å
128	E	93.1	Very high	87.3	Confident	79 Å²	79	61.4 Å²	61.4	37%	0.369	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-41.6	178.7	-66.7	-62.4	146.8	0	0	112.3	H40 H105 P110 C114 N130	H40-E128 WeakPolarHBondContact CE1-CB 3.47Å; H105-E128 IonicContact CE1-OE1 2.69Å; H105-E128 PolarHBondContact CE1-OE1 3.04Å; H105-E128 VanDerWaalsContact CE1-OE1 3.28Å; H105-E128 IonicContact NE2-OE1 3.54Å; P110-E128 VanDerWaalsContact C-OE1 3.24Å; P110-E128 WeakPolarHBondContact CA-OE1 3.47Å; P110-E128 WeakPolarHBondContact CB-OE1 3.37Å; C114-E128 HydrophobicContact CB-CB 4.35Å; C114-E128 HydrophobicContact CB-CG 3.53Å; E128-N130 VanDerWaalsContact C-N 3.28Å
129	C	91.1	Very high	86.6	Confident	46 Å²	46	64.2 Å²	64.2	31%	0.311	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-15.5	174.7	-66.1	0	0	0	0	112.7	H40 C126 E131	H40-C129 VanDerWaalsContact CE1-SG 3.57Å; H40-C129 PolarHBondContact ND1-SG 2.86Å; H40-C129 VanDerWaalsContact ND1-SG 3.38Å; C126-C129 HydrophobicContact CB-CB 4.05Å; C129-E131 HydrophobicContact CB-CB 4.37Å; C129-E131 HydrophobicContact CB-CG 3.56Å; C129-E131 VanDerWaalsContact CB-OE1 3.24Å; C129-E131 WeakPolarHBondContact CB-OE1 3.23Å; C129-E131 PolarHBondContact O-N 3.15Å; C129-E131 PolarHBondContact SG-OE1 2.95Å
130	N	92.3	Very high	86.4	Confident	117 Å²	117	71.1 Å²	71.1	63%	0.626	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	45.2	-170.3	-168.9	65.3	0	0	0	112.6	W125 C126 F127 E128	W125-N130 WeakPolarHBondContact CZ2-O 3.31Å; C126-N130 VanDerWaalsContact O-CA 3.31Å; C126-N130 WeakPolarHBondContact O-CA 3.29Å; C126-N130 PolarHBondContact O-N 3.37Å; F127-N130 PolarHBondContact O-N 3Å; E128-N130 VanDerWaalsContact C-N 3.28Å
131	E	92	Very high	86.3	Confident	89 Å²	89	68 Å²	68	42%	0.416	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156.1	-175.8	78.7	-169	161	0	0	113.1	W125 C126 C129 L133	W125-E131 VanDerWaalsContact CE3-C 3.49Å; C126-E131 PolarHBondContact N-O 3.05Å; C126-E131 PolarHBondContact O-N 3.34Å; C129-E131 HydrophobicContact CB-CB 4.37Å; C129-E131 HydrophobicContact CB-CG 3.56Å; C129-E131 VanDerWaalsContact CB-OE1 3.24Å; C129-E131 WeakPolarHBondContact CB-OE1 3.23Å; C129-E131 PolarHBondContact O-N 3.15Å; C129-E131 PolarHBondContact SG-OE1 2.95Å; E131-L133 HydrophobicContact CG-CD2 4.16Å
132	E	93.2	Very high	86.3	Confident	94 Å²	94	64.3 Å²	64.3	44%	0.439	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	132.5	170.8	-178.7	174.5	113.7	0	0	110.3	K123 A124 W125	K123-E132 HydrophobicContact CB-CG 4.34Å; K123-E132 WeakPolarHBondContact CD-OE2 3.47Å; K123-E132 WeakPolarHBondContact CE-OE2 3.14Å; K123-E132 WeakPolarHBondContact CG-OE2 3.32Å; K123-E132 VanDerWaalsContact NZ-CD 3.28Å; K123-E132 IonicContact NZ-OE1 3.35Å; K123-E132 PolarHBondContact NZ-OE1 2.88Å; K123-E132 IonicContact NZ-OE2 3.02Å; K123-E132 PolarHBondContact NZ-OE2 3.38Å; A124-E132 CarbonylContact O-C 3.57Å; A124-E132 WeakPolarHBondContact O-CA 3.39Å; A124-E132 WeakPolarHBondContact O-CG 3.41Å; W125-E132 HydrophobicContact CE3-CB 4.01Å; W125-E132 HydrophobicContact CZ3-CB 4.12Å
133	L	90.9	Very high	86.3	Confident	7 Å²	7	63 Å²	63	4%	0.037	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	118.3	178.7	-56.3	-172.7	0	0	0	110.6	C38 V41 I115 A124 C126 E131 L142	C38-L133 HydrophobicContact CB-CD1 4.21Å; C38-L133 HydrophobicContact CB-CD2 3.35Å; C38-L133 HydrophobicContact CB-CG 4.43Å; V41-L133 HydrophobicContact CG2-CD1 4.2Å; I115-L133 HydrophobicContact CD1-CD1 3.86Å; I115-L133 HydrophobicContact CG1-CD1 4.25Å; I115-L133 HydrophobicContact CG2-CD1 3.8Å; A124-L133 HydrophobicContact CB-CB 4.06Å; A124-L133 PolarHBondContact O-N 3.18Å; C126-L133 HydrophobicContact CB-CD1 4.16Å; C126-L133 HydrophobicContact CB-CD2 3.96Å; C126-L133 HydrophobicContact CB-CG 4.14Å; E131-L133 HydrophobicContact CG-CD2 4.16Å; L133-L142 HydrophobicContact CB-CD2 3.97Å; L133-L142 HydrophobicContact CD1-CD2 4.18Å
134	S	82.8	Confident	86.3	Confident	54 Å²	54	62.5 Å²	62.5	38%	0.378	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-77.3	134.9	171.9	165.7	0	0	0	0	111.8	H136 C137 N138	S134-H136 PolarHBondContact O-N 2.83Å; S134-H136 PolarHBondContact OG-N 3.26Å; S134-C137 VanDerWaalsContact CB-SG 3.5Å; S134-N138 PolarHBondContact N-ND2 3.49Å; S134-N138 VanDerWaalsContact O-CB 3.31Å; S134-N138 WeakPolarHBondContact O-CB 3.37Å; S134-N138 PolarHBondContact O-N 3.22Å; S134-N138 PolarHBondContact O-ND2 3.15Å
135	T	72.5	Confident	86.4	Confident	63 Å²	63	62.4 Å²	62.4	39%	0.387	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-20.2	177.9	53.7	0	0	0	0	113.5	L146	T135-L146 HydrophobicContact CG2-CD1 3.43Å; T135-L146 VanDerWaalsContact CG2-CD1 3.43Å
136	H	63.7	Low	86.4	Confident	179 Å²	179	58.3 Å²	58.3	83%	0.829	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-24.4	-175.5	-72.6	-85.5	0	0	0	113.5	S134	S134-H136 PolarHBondContact O-N 2.83Å; S134-H136 PolarHBondContact OG-N 3.26Å
137	C	59	Low	86.4	Confident	45 Å²	45	61.6 Å²	61.6	30%	0.304	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-8.3	179.9	55.8	0	0	0	0	113.5	L36 T37 S134	L36-C137 HydrophobicContact CB-CB 4.07Å; L36-C137 PolarHBondContact O-SG 3.14Å; T37-C137 WeakPolarHBondContact CG2-O 2.98Å; S134-C137 VanDerWaalsContact CB-SG 3.5Å
138	N	66.9	Low	86.6	Confident	21 Å²	21	61.1 Å²	61.1	11%	0.112	32%	0.321	C	S	.	.	S	Bend	trans	-95.7	165.9	-177.8	-80.3	-74.4	0	0	0	114	C38 S134 L142	C38-N138 PolarHBondContact N-OD1 3.34Å; S134-N138 PolarHBondContact N-ND2 3.49Å; S134-N138 VanDerWaalsContact O-CB 3.31Å; S134-N138 WeakPolarHBondContact O-CB 3.37Å; S134-N138 PolarHBondContact O-N 3.22Å; S134-N138 PolarHBondContact O-ND2 3.15Å; N138-L142 HydrophobicContact CB-CD2 3.53Å
139	K	80.1	Confident	86.7	Confident	66 Å²	66	57.4 Å²	57.4	29%	0.287	30%	0.303	S	S	.	.			trans	-62.3	149.7	-173.7	-57.7	176.9	-178	161.4	0	112.4	V41 N42 A141 L142	V41-K139 HydrophobicContact CB-CD 4.31Å; V41-K139 HydrophobicContact CG1-CB 3.89Å; V41-K139 HydrophobicContact CG1-CD 4.29Å; V41-K139 HydrophobicContact CG1-CG 4.39Å; N42-K139 PolarHBondContact ND2-NZ 3.11Å; N42-K139 WeakPolarHBondContact OD1-CD 3.27Å; N42-K139 PolarHBondContact OD1-NZ 2.79Å; K139-A141 PolarHBondContact O-N 3.05Å; K139-L142 WeakPolarHBondContact O-CB 3.29Å; K139-L142 PolarHBondContact O-N 3.39Å
140	K	88.4	Confident	86.9	Confident	152 Å²	152	59.2 Å²	59.2	66%	0.661	31%	0.307	S	S	*	.	H	α-helix	trans	-46.4	-37.6	-179.8	-174.4	178.7	179.1	178.8	0	114.5	L142 A143 Q144	K140-L142 VanDerWaalsContact C-N 3.3Å; K140-L142 PolarHBondContact O-N 2.69Å; K140-A143 PolarHBondContact O-N 3.27Å; K140-Q144 HydrophobicContact CG-CG 4.07Å; K140-Q144 WeakPolarHBondContact O-CB 3.37Å; K140-Q144 WeakPolarHBondContact O-CG 3.46Å; K140-Q144 PolarHBondContact O-N 2.89Å
141	A	90.3	Very high	87	Confident	35 Å²	35	59 Å²	59	29%	0.289	30%	0.301	S	S	.	.	H	α-helix	trans	-59.3	-38.8	179.5	0	0	0	0	0	113	V45 K139 T145	V45-A141 HydrophobicContact CG1-CB 4.3Å; K139-A141 PolarHBondContact O-N 3.05Å; A141-T145 WeakPolarHBondContact O-CB 3.26Å; A141-T145 PolarHBondContact O-N 3.12Å; A141-T145 VanDerWaalsContact O-N 3.13Å; A141-T145 PolarHBondContact O-OG1 3.11Å
142	L	93.1	Very high	87.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.2	-56.6	175.7	-177.9	65.9	0	0	0	109.7	V41 V45 L86 A124 L133 N138 K139 K140 Q144 T145 L146	V41-L142 HydrophobicContact CG1-CB 4.05Å; V45-L142 HydrophobicContact CG2-CD1 4.24Å; L86-L142 HydrophobicContact CD1-CD1 3.31Å; A124-L142 HydrophobicContact CB-CD1 4.3Å; L133-L142 HydrophobicContact CB-CD2 3.97Å; L133-L142 HydrophobicContact CD1-CD2 4.18Å; N138-L142 HydrophobicContact CB-CD2 3.53Å; K139-L142 WeakPolarHBondContact O-CB 3.29Å; K139-L142 PolarHBondContact O-N 3.39Å; K140-L142 VanDerWaalsContact C-N 3.3Å; K140-L142 PolarHBondContact O-N 2.69Å; L142-Q144 VanDerWaalsContact C-N 3.31Å; L142-Q144 PolarHBondContact O-N 3.05Å; L142-T145 PolarHBondContact O-N 3.39Å; L142-L146 HydrophobicContact CD1-CD2 4.16Å; L142-L146 HydrophobicContact CD1-CG 4.33Å; L142-L146 HydrophobicContact CG-CD1 4.42Å; L142-L146 HydrophobicContact CG-CG 4.4Å; L142-L146 WeakPolarHBondContact O-CG 3.19Å; L142-L146 PolarHBondContact O-N 2.93Å
143	A	92.4	Very high	87.1	Confident	40 Å²	40	52.8 Å²	52.8	33%	0.331	27%	0.274	S	S	.	.	H	α-helix	trans	-55.4	-44.1	-178.7	0	0	0	0	0	112.7	K140 T145 L146 D147	K140-A143 PolarHBondContact O-N 3.27Å; A143-T145 VanDerWaalsContact C-N 3.31Å; A143-T145 PolarHBondContact O-N 3.23Å; A143-L146 PolarHBondContact O-N 2.75Å; A143-D147 WeakPolarHBondContact O-CB 3.49Å; A143-D147 PolarHBondContact O-N 3.27Å
144	Q	94.1	Very high	87.1	Confident	89 Å²	89	57.5 Å²	57.5	42%	0.416	30%	0.302	S	S	.	.	H	α-helix	trans	-64.3	-34.7	177.3	-72	-176.5	-54	0	0	113.2	L47 K140 L142 F148	L47-Q144 HydrophobicContact CD2-CB 4.19Å; K140-Q144 HydrophobicContact CG-CG 4.07Å; K140-Q144 WeakPolarHBondContact O-CB 3.37Å; K140-Q144 WeakPolarHBondContact O-CG 3.46Å; K140-Q144 PolarHBondContact O-N 2.89Å; L142-Q144 VanDerWaalsContact C-N 3.31Å; L142-Q144 PolarHBondContact O-N 3.05Å; Q144-F148 WeakPolarHBondContact O-CB 3.37Å; Q144-F148 PolarHBondContact O-N 3.26Å; Q144-F148 VanDerWaalsContact O-N 3.15Å
145	T	96.2	Very high	87.4	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-72.2	-42.6	177.8	-53.2	0	0	0	0	111.1	V45 L47 V50 L86 A141 L142 A143 F148 L149	V45-T145 HydrophobicContact CG1-CG2 4.46Å; V45-T145 WeakPolarHBondContact CG1-OG1 3.39Å; L47-T145 HydrophobicContact CD1-CG2 4.28Å; V50-T145 HydrophobicContact CB-CG2 4.29Å; V50-T145 HydrophobicContact CG1-CG2 4.02Å; V50-T145 HydrophobicContact CG2-CG2 4.22Å; L86-T145 HydrophobicContact CD2-CG2 4.01Å; A141-T145 WeakPolarHBondContact O-CB 3.26Å; A141-T145 PolarHBondContact O-N 3.12Å; A141-T145 VanDerWaalsContact O-N 3.13Å; A141-T145 PolarHBondContact O-OG1 3.11Å; L142-T145 PolarHBondContact O-N 3.39Å; A143-T145 VanDerWaalsContact C-N 3.31Å; A143-T145 PolarHBondContact O-N 3.23Å; T145-F148 PolarHBondContact O-N 3.11Å; T145-L149 HydrophobicContact CG2-CD1 4.29Å; T145-L149 WeakPolarHBondContact O-CG 3.3Å; T145-L149 PolarHBondContact O-N 2.94Å
146	L	94.9	Very high	87.9	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.021	31%	0.31	C	S	.	.	H	α-helix	trans	-66	-43.6	177.3	-53.7	-163.6	0	0	0	111.9	L86 I117 A124 T135 L142 A143 F148 L149 Q150	L86-L146 HydrophobicContact CD1-CD2 3.86Å; L86-L146 HydrophobicContact CD2-CD2 4.21Å; I117-L146 HydrophobicContact CB-CD2 4.18Å; I117-L146 HydrophobicContact CD1-CB 4.33Å; I117-L146 HydrophobicContact CD1-CD1 3.91Å; I117-L146 HydrophobicContact CD1-CD2 3.38Å; I117-L146 HydrophobicContact CD1-CG 4.03Å; I117-L146 HydrophobicContact CG1-CD2 4.35Å; I117-L146 HydrophobicContact CG2-CD2 4.38Å; A124-L146 HydrophobicContact CB-CD1 4.26Å; T135-L146 HydrophobicContact CG2-CD1 3.43Å; T135-L146 VanDerWaalsContact CG2-CD1 3.43Å; L142-L146 HydrophobicContact CD1-CD2 4.16Å; L142-L146 HydrophobicContact CD1-CG 4.33Å; L142-L146 HydrophobicContact CG-CD1 4.42Å; L142-L146 HydrophobicContact CG-CG 4.4Å; L142-L146 WeakPolarHBondContact O-CG 3.19Å; L142-L146 PolarHBondContact O-N 2.93Å; A143-L146 PolarHBondContact O-N 2.75Å; L146-F148 VanDerWaalsContact C-N 3.29Å; L146-F148 PolarHBondContact O-N 3.35Å; L146-L149 PolarHBondContact O-N 3.01Å; L146-L149 VanDerWaalsContact O-N 3.17Å; L146-Q150 WeakPolarHBondContact O-CB 3.27Å; L146-Q150 WeakPolarHBondContact O-CG 3.42Å; L146-Q150 PolarHBondContact O-N 2.88Å
147	D	94.9	Very high	88.3	Confident	69 Å²	69	56.2 Å²	56.2	37%	0.369	30%	0.296	S	S	.	.	H	α-helix	trans	-57.4	-42.7	175.1	171.9	-93.5	0	0	0	111.7	A143 K151	A143-D147 WeakPolarHBondContact O-CB 3.49Å; A143-D147 PolarHBondContact O-N 3.27Å; D147-K151 WeakPolarHBondContact O-CB 3.39Å; D147-K151 VanDerWaalsContact O-CG 3.3Å; D147-K151 WeakPolarHBondContact O-CG 3.12Å; D147-K151 PolarHBondContact O-N 3.38Å; D147-K151 WeakPolarHBondContact OD1-CD 3.38Å; D147-K151 WeakPolarHBondContact OD1-CE 3.4Å; D147-K151 IonicContact OD1-NZ 3.9Å; D147-K151 PolarHBondContact OD1-NZ 3.42Å; D147-K151 WeakPolarHBondContact OD2-CE 3.34Å; D147-K151 IonicContact OD2-NZ 2.7Å; D147-K151 PolarHBondContact OD2-NZ 3.17Å
148	F	96.3	Very high	88.4	Confident	35 Å²	35	57 Å²	57	15%	0.154	30%	0.302	C	S	.	.	H	α-helix	trans	-60.9	-48.8	174.9	166.3	-101.5	0	0	0	112	L47 V50 K51 V54 L55 Q144 T145 L146 K151 H152	L47-F148 HydrophobicContact CD1-CB 4.08Å; L47-F148 HydrophobicContact CD1-CD1 4.44Å; L47-F148 HydrophobicContact CD1-CG 4.34Å; V50-F148 HydrophobicContact CG1-CD1 4.47Å; V50-F148 HydrophobicContact CG1-CE1 4.44Å; K51-F148 HydrophobicContact CB-CE1 4.3Å; K51-F148 HydrophobicContact CB-CZ 4.17Å; K51-F148 HydrophobicContact CD-CD2 4.37Å; K51-F148 HydrophobicContact CD-CE2 4.4Å; K51-F148 HydrophobicContact CG-CD1 3.85Å; K51-F148 HydrophobicContact CG-CD2 3.92Å; K51-F148 HydrophobicContact CG-CE1 3.65Å; K51-F148 HydrophobicContact CG-CE2 3.72Å; K51-F148 HydrophobicContact CG-CG 3.99Å; K51-F148 HydrophobicContact CG-CZ 3.59Å; V54-F148 HydrophobicContact CB-CE1 4.16Å; V54-F148 HydrophobicContact CB-CZ 4.43Å; V54-F148 HydrophobicContact CG1-CE1 4.17Å; V54-F148 HydrophobicContact CG1-CZ 4.25Å; V54-F148 HydrophobicContact CG2-CE1 4.46Å; L55-F148 HydrophobicContact CG-CZ 4.49Å; Q144-F148 WeakPolarHBondContact O-CB 3.37Å; Q144-F148 PolarHBondContact O-N 3.26Å; Q144-F148 VanDerWaalsContact O-N 3.15Å; T145-F148 PolarHBondContact O-N 3.11Å; L146-F148 VanDerWaalsContact C-N 3.29Å; L146-F148 PolarHBondContact O-N 3.35Å; F148-K151 PolarHBondContact O-N 2.87Å; F148-H152 HydrophobicContact CZ-CB 4.48Å; F148-H152 WeakPolarHBondContact O-CB 3.33Å; F148-H152 PolarHBondContact O-N 3.38Å
149	L	96.4	Very high	87.7	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.9	-41.3	-178.1	-66.2	171.2	0	0	0	111.7	V50 V54 W59 V84 L86 I117 W122 T145 L146 H152 S153	V50-L149 HydrophobicContact CG1-CD1 4.46Å; V50-L149 HydrophobicContact CG1-CD2 3.77Å; V50-L149 HydrophobicContact CG1-CG 4.33Å; V54-L149 HydrophobicContact CG2-CD2 3.75Å; W59-L149 HydrophobicContact CH2-CD2 3.84Å; W59-L149 HydrophobicContact CZ3-CD2 4.19Å; V84-L149 HydrophobicContact CG1-CD1 4.41Å; V84-L149 HydrophobicContact CG1-CD2 4.48Å; L86-L149 HydrophobicContact CD2-CD1 3.84Å; I117-L149 HydrophobicContact CG2-CD1 3.63Å; W122-L149 HydrophobicContact CH2-CB 4.42Å; W122-L149 WeakPolarHBondContact CH2-O 3.49Å; W122-L149 HydrophobicContact CZ3-CB 3.81Å; T145-L149 HydrophobicContact CG2-CD1 4.29Å; T145-L149 WeakPolarHBondContact O-CG 3.3Å; T145-L149 PolarHBondContact O-N 2.94Å; L146-L149 PolarHBondContact O-N 3.01Å; L146-L149 VanDerWaalsContact O-N 3.17Å; L149-H152 PolarHBondContact O-N 3.11Å; L149-S153 PolarHBondContact O-N 2.86Å
150	Q	94.6	Very high	86	Confident	85 Å²	85	60 Å²	60	40%	0.397	33%	0.332	S	S	.	.	H	α-helix	trans	-61.2	-48.3	175.4	-74.9	176.6	-17.9	0	0	111.5	W122 L146 H152 S153 V154	W122-Q150 HydrophobicContact CD2-CG 3.61Å; W122-Q150 HydrophobicContact CE3-CB 4.47Å; W122-Q150 HydrophobicContact CE3-CG 3.31Å; W122-Q150 HydrophobicContact CG-CG 4.31Å; W122-Q150 HydrophobicContact CH2-CB 4.44Å; W122-Q150 HydrophobicContact CH2-CG 4.04Å; W122-Q150 HydrophobicContact CZ2-CG 4.29Å; W122-Q150 HydrophobicContact CZ3-CB 4.29Å; W122-Q150 HydrophobicContact CZ3-CG 3.55Å; L146-Q150 WeakPolarHBondContact O-CB 3.27Å; L146-Q150 WeakPolarHBondContact O-CG 3.42Å; L146-Q150 PolarHBondContact O-N 2.88Å; Q150-H152 VanDerWaalsContact C-N 3.3Å; Q150-H152 PolarHBondContact O-N 3.06Å; Q150-S153 PolarHBondContact O-N 3.21Å; Q150-V154 PolarHBondContact O-N 2.7Å; Q150-V154 VanDerWaalsContact O-N 3.11Å
151	K	94.6	Very high	83.7	Confident	112 Å²	112	57 Å²	57	49%	0.487	33%	0.326	S	S	.	.	H	α-helix	trans	-61.8	-38.2	175.7	-74.9	171.9	-179.1	162.1	0	112.2	D147 F148 K155	D147-K151 WeakPolarHBondContact O-CB 3.39Å; D147-K151 VanDerWaalsContact O-CG 3.3Å; D147-K151 WeakPolarHBondContact O-CG 3.12Å; D147-K151 PolarHBondContact O-N 3.38Å; D147-K151 WeakPolarHBondContact OD1-CD 3.38Å; D147-K151 WeakPolarHBondContact OD1-CE 3.4Å; D147-K151 IonicContact OD1-NZ 3.9Å; D147-K151 PolarHBondContact OD1-NZ 3.42Å; D147-K151 WeakPolarHBondContact OD2-CE 3.34Å; D147-K151 IonicContact OD2-NZ 2.7Å; D147-K151 PolarHBondContact OD2-NZ 3.17Å; F148-K151 PolarHBondContact O-N 2.87Å; K151-K155 WeakPolarHBondContact O-CG 3.35Å; K151-K155 PolarHBondContact O-N 3.4Å
152	H	94.8	Very high	81.3	Confident	34 Å²	34	64 Å²	64	16%	0.157	35%	0.347	C	S	.	.	H	α-helix	trans	-64.5	-43.5	175.9	-175.8	77.3	0	0	0	111.1	V54 W59 F148 L149 Q150 V154 K155 A156	V54-H152 HydrophobicContact CG1-CB 4.41Å; V54-H152 WeakPolarHBondContact CG1-CD2 3.45Å; V54-H152 WeakPolarHBondContact CG1-NE2 3.46Å; W59-H152 AromaticContact CD2-CD2 3.57Å; W59-H152 AromaticContact CD2-NE2 3.9Å; W59-H152 AromaticContact CE2-CD2 3.78Å; W59-H152 AromaticContact CE3-CD2 3.9Å; W59-H152 AromaticContact CG-CD2 3.84Å; W59-H152 AromaticContact CG-NE2 3.8Å; F148-H152 HydrophobicContact CZ-CB 4.48Å; F148-H152 WeakPolarHBondContact O-CB 3.33Å; F148-H152 PolarHBondContact O-N 3.38Å; L149-H152 PolarHBondContact O-N 3.11Å; Q150-H152 VanDerWaalsContact C-N 3.3Å; Q150-H152 PolarHBondContact O-N 3.06Å; H152-V154 PolarHBondContact O-N 3.09Å; H152-K155 PolarHBondContact O-N 3.36Å; H152-A156 WeakPolarHBondContact O-CB 3.34Å; H152-A156 PolarHBondContact O-N 3.42Å
153	S	92.9	Very high	78.7	Confident	19 Å²	19	67.3 Å²	67.3	13%	0.133	37%	0.37	C	S	.	.	H	α-helix	trans	-60.9	-43.4	178.7	-165.7	0	0	0	0	112.8	L149 Q150 K155 A156 T157	L149-S153 PolarHBondContact O-N 2.86Å; Q150-S153 PolarHBondContact O-N 3.21Å; S153-K155 VanDerWaalsContact C-N 3.31Å; S153-K155 PolarHBondContact O-N 2.85Å; S153-A156 PolarHBondContact O-N 3.18Å; S153-T157 PolarHBondContact O-N 3.43Å; S153-T157 VanDerWaalsContact O-N 3.09Å; S153-T157 PolarHBondContact O-OG1 3.14Å; S153-T157 VanDerWaalsContact O-OG1 3.06Å
154	V	91	Very high	76.2	Confident	105 Å²	105	73.3 Å²	73.3	64%	0.636	39%	0.389	S	S	*	.	H	α-helix	trans	-61.9	-40.5	176.7	175.8	0	0	0	0	111.4	Q150 H152 S158	Q150-V154 PolarHBondContact O-N 2.7Å; Q150-V154 VanDerWaalsContact O-N 3.11Å; H152-V154 PolarHBondContact O-N 3.09Å; V154-S158 PolarHBondContact O-N 3.32Å; V154-S158 PolarHBondContact O-OG 2.7Å
155	K	88.4	Confident	73.9	Confident	148 Å²	148	74.7 Å²	74.7	64%	0.643	40%	0.398	S	S	*	.	H	α-helix	trans	-68.3	-42	177.6	-71.8	176.6	-179.6	-172.8	0	112.6	K151 H152 S153 T157 S158 G159	K151-K155 WeakPolarHBondContact O-CG 3.35Å; K151-K155 PolarHBondContact O-N 3.4Å; H152-K155 PolarHBondContact O-N 3.36Å; S153-K155 VanDerWaalsContact C-N 3.31Å; S153-K155 PolarHBondContact O-N 2.85Å; K155-T157 VanDerWaalsContact C-N 3.32Å; K155-T157 PolarHBondContact O-N 3.46Å; K155-S158 WeakPolarHBondContact CA-OG 3.42Å; K155-S158 PolarHBondContact O-N 3.24Å; K155-S158 PolarHBondContact O-OG 3.09Å; K155-G159 PolarHBondContact O-N 3.28Å; K155-G159 VanDerWaalsContact O-N 3.09Å
156	A	82.8	Confident	71.2	Confident	34 Å²	34	83 Å²	83	28%	0.281	44%	0.437	S	S	.	.	H	α-helix	trans	-62.7	-40.1	179	0	0	0	0	0	111.3	W59 H152 S153	W59-A156 HydrophobicContact CG-CB 4.26Å; H152-A156 WeakPolarHBondContact O-CB 3.34Å; H152-A156 PolarHBondContact O-N 3.42Å; S153-A156 PolarHBondContact O-N 3.18Å
157	T	71.5	Confident	68.6	Low	88 Å²	88	91.8 Å²	91.8	54%	0.54	48%	0.478	S	S	.	.	H	α-helix	trans	-71.8	-32.5	177.6	-52.6	0	0	0	0	113	S153 K155	S153-T157 PolarHBondContact O-N 3.43Å; S153-T157 VanDerWaalsContact O-N 3.09Å; S153-T157 PolarHBondContact O-OG1 3.14Å; S153-T157 VanDerWaalsContact O-OG1 3.06Å; K155-T157 VanDerWaalsContact C-N 3.32Å; K155-T157 PolarHBondContact O-N 3.46Å
158	S	61.6	Low	66	Low	60 Å²	60	92.4 Å²	92.4	42%	0.42	49%	0.492	S	S	.	.	H	α-helix	trans	-80.5	-16.8	178.5	41.6	0	0	0	0	114.2	V154 K155 N160 T161	V154-S158 PolarHBondContact O-N 3.32Å; V154-S158 PolarHBondContact O-OG 2.7Å; K155-S158 WeakPolarHBondContact CA-OG 3.42Å; K155-S158 PolarHBondContact O-N 3.24Å; K155-S158 PolarHBondContact O-OG 3.09Å; S158-N160 VanDerWaalsContact C-N 3.35Å; S158-T161 PolarHBondContact O-OG1 3.18Å
159	G	52.3	Low	63.4	Low	47 Å²	47	102.1 Å²	102.1	49%	0.485	54%	0.544	S	S	.	.	H	α-helix	trans	-72	-27.6	169.3	0	0	0	0	0	113.5	K155 T161	K155-G159 PolarHBondContact O-N 3.28Å; K155-G159 VanDerWaalsContact O-N 3.09Å; G159-T161 VanDerWaalsContact C-N 3.32Å; G159-T161 PolarHBondContact O-N 3.43Å
160	N	44.5	Very low	61.8	Low	105 Å²	105	107.3 Å²	107.3	56%	0.561	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-12.2	-179.4	-101.3	28.6	0	0	0	114	S158 Y162 S163 F164	S158-N160 VanDerWaalsContact C-N 3.35Å; N160-Y162 VanDerWaalsContact C-N 3.34Å; N160-S163 PolarHBondContact O-OG 2.96Å; N160-F164 VanDerWaalsContact O-CD2 3.31Å; N160-F164 WeakPolarHBondContact O-CD2 3.31Å
161	T	39.6	Very low	60	Low	87 Å²	87	108.4 Å²	108.4	53%	0.534	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.5	-13.3	179	50.6	0	0	0	0	113.6	S158 G159	S158-T161 PolarHBondContact O-OG1 3.18Å; G159-T161 VanDerWaalsContact C-N 3.32Å; G159-T161 PolarHBondContact O-N 3.43Å
162	Y	40.7	Very low	58.1	Low	182 Å²	182	108.2 Å²	108.2	71%	0.714	59%	0.586	S	S	*	*	S	Bend	trans	-92.4	-14.3	180	-72.7	-79.1	0	0	0	114.3	N160 I165	N160-Y162 VanDerWaalsContact C-N 3.34Å; Y162-I165 HydrophobicContact CD1-CD1 4.17Å
163	S	39.1	Very low	55.9	Low	71 Å²	71	112.6 Å²	112.6	50%	0.497	61%	0.611	S	S	.	*	S	Bend	trans	-88.1	-17.4	177.8	40.2	0	0	0	0	113.9	N160	N160-S163 PolarHBondContact O-OG 2.96Å
164	F	38.8	Very low	53.6	Low	165 Å²	165	118.4 Å²	118.4	72%	0.724	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-7	177.6	-76	-74.4	0	0	0	114.8	N160	N160-F164 VanDerWaalsContact O-CD2 3.31Å; N160-F164 WeakPolarHBondContact O-CD2 3.31Å
165	I	45.2	Very low	51.1	Low	119 Å²	119	119.3 Å²	119.3	61%	0.61	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	1.3	-179.3	29.4	173.9	0	0	0	114	Y162	Y162-I165 HydrophobicContact CD1-CD1 4.17Å
166	H	40.2	Very low	48.5	Very low	174 Å²	174	117.3 Å²	117.3	81%	0.806	64%	0.641	S	S	*	*	S	Bend	trans	-111.4	7.7	179.4	-133.4	-71.1	0	0	0	114.9
167	E	40.1	Very low	45.8	Very low	189 Å²	189	123.7 Å²	123.7	88%	0.883	67%	0.669	S	S	*	*	S	Bend	trans	-119.6	32.4	175.3	-146.9	174.5	132	0	0	111.6
168	A	41.3	Very low	43.7	Very low	81 Å²	81	126.7 Å²	126.7	67%	0.669	68%	0.68	S	S	*	*			trans	-144.1	19.9	177.8	0	0	0	0	0	115.1
169	L	41.3	Very low	42.1	Very low	240 Å²	240	132.7 Å²	132.7	100%	1.257	70%	0.704	S	S	*	*			trans	-140.4	0	168.4	-77.2	171.3	0	0	0	111.2

Retrieved 169 of 169 residues in 1245.6 ms (Link to these results)

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