A0A077ZF45_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZF45, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 176 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	42.6	Very low	48.7	Very low	240 Å²	240	164.3 Å²	164.3	100%	1.182	85%	0.853	S	S	*	*				0	97.3	0	-72.4	-179.1	171	0	0	106.7
2	V	49.5	Very low	49.3	Very low	150 Å²	150	158.7 Å²	158.7	91%	0.909	84%	0.838	S	S	*	*			cis	-129.7	126.5	16	165.6	0	0	0	0	106.4
3	T	42.5	Very low	48.9	Very low	123 Å²	123	156.8 Å²	156.8	76%	0.755	84%	0.844	S	S	*	*			trans	-103.7	136.1	-179.1	-45.3	0	0	0	0	108.9
4	L	42.7	Very low	49.3	Very low	153 Å²	153	153.9 Å²	153.9	80%	0.801	84%	0.841	S	S	*	*			trans	-8.1	131	165.8	-100.8	74.5	0	0	0	116.9
5	L	50.7	Low	49.5	Very low	164 Å²	164	151.1 Å²	151.1	86%	0.859	84%	0.837	S	S	*	*			trans	-161.5	112.8	143.8	-98	165.4	0	0	0	108
6	L	47.1	Very low	49.4	Very low	165 Å²	165	150.3 Å²	150.3	86%	0.864	83%	0.832	S	S	*	*			trans	171.8	65.7	146.7	-88.2	154.9	0	0	0	108.2
7	R	52.3	Low	49.7	Very low	225 Å²	225	149.1 Å²	149.1	85%	0.849	84%	0.836	S	S	*	*			trans	-107.6	146.6	146.1	-76.5	179.4	176.5	171.2	-2.1	105.4
8	N	55.7	Low	50	Low	130 Å²	130	149.8 Å²	149.8	70%	0.695	83%	0.829	S	S	*	*			trans	101	79.7	178.2	-56.8	-10.5	0	0	0	115
9	L	52.4	Low	49.8	Very low	168 Å²	168	147.8 Å²	147.8	88%	0.88	82%	0.817	S	S	*	*			trans	-129.3	94.7	140	-87.6	104.4	0	0	0	107.6
10	C	47.9	Very low	49.8	Very low	115 Å²	115	148.9 Å²	148.9	78%	0.777	82%	0.82	S	S	*	*			trans	160.5	84.9	131.7	-160.7	0	0	0	0	107.8
11	Q	52.1	Low	49.7	Very low	174 Å²	174	147.2 Å²	147.2	81%	0.813	81%	0.814	S	S	*	*			trans	-125.6	73.9	171.1	-115.3	165	-23.2	0	0	106.3
12	S	55.7	Low	50.2	Low	97 Å²	97	144.5 Å²	144.5	68%	0.678	80%	0.796	S	S	*	*			trans	-166.4	71.5	168.8	63	0	0	0	0	110.7
13	C	44.7	Very low	50.2	Low	135 Å²	135	145.9 Å²	145.9	91%	0.912	79%	0.792	S	S	*	*			trans	-146.6	76.3	155	-87.4	0	0	0	0	106.5
14	S	54.3	Low	50.6	Low	115 Å²	115	143.5 Å²	143.5	80%	0.804	78%	0.781	S	S	*	*			trans	-106.4	146.6	159.9	-74.4	0	0	0	0	107.2
15	S	51.7	Low	51.1	Low	112 Å²	112	145.5 Å²	145.5	78%	0.783	79%	0.786	S	S	*	*	S	Bend	trans	62	84.3	174.9	54.8	0	0	0	0	116.7
16	D	49	Very low	51.5	Low	139 Å²	139	143.9 Å²	143.9	74%	0.743	78%	0.778	S	S	*	*				-161.4	95.9	111.7	-109.9	-11.4	0	0	0	108	K18	D16-K18 PolarHBondContact O-N 3.25Å
17	S	53.9	Low	51.9	Low	129 Å²	129	144.5 Å²	144.5	90%	0.902	78%	0.776	S	S	*	*			trans	-72.8	82.8	170.2	-177.2	0	0	0	0	107.1
18	K	55.5	Low	52.2	Low	163 Å²	163	144 Å²	144	71%	0.709	78%	0.781	S	S	*	*			trans	-83.2	114.8	161.7	-73.5	-174.4	-177.1	175.5	0	107.2	D16 L20	D16-K18 PolarHBondContact O-N 3.25Å; K18-L20 PolarHBondContact O-N 2.57Å
19	D	46.8	Very low	52.5	Low	112 Å²	112	142 Å²	142	60%	0.599	78%	0.782	S	S	*	*			trans	-41	100.8	171.3	-174.6	12.2	0	0	0	111.6	T21	D19-T21 VanDerWaalsContact C-N 3.29Å; D19-T21 WeakPolarHBondContact OD1-CB 3.15Å; D19-T21 PolarHBondContact OD1-N 3.17Å; D19-T21 PolarHBondContact OD1-OG1 3.41Å
20	L	49.3	Very low	53.2	Low	169 Å²	169	141.8 Å²	141.8	89%	0.885	78%	0.777	S	S	*	*			trans	-92.8	12.8	172	-81.4	160.6	0	0	0	111.2	K18 K22	K18-L20 PolarHBondContact O-N 2.57Å; L20-K22 PolarHBondContact O-N 2.91Å
21	T	48	Very low	54.1	Low	114 Å²	114	141.3 Å²	141.3	70%	0.699	77%	0.772	S	S	*	*			trans	-86.4	10.4	178.5	68.5	0	0	0	0	114	D19 E23	D19-T21 VanDerWaalsContact C-N 3.29Å; D19-T21 WeakPolarHBondContact OD1-CB 3.15Å; D19-T21 PolarHBondContact OD1-N 3.17Å; D19-T21 PolarHBondContact OD1-OG1 3.41Å; T21-E23 PolarHBondContact O-N 2.61Å
22	K	52.1	Low	55.1	Low	182 Å²	182	138.5 Å²	138.5	79%	0.791	77%	0.772	S	S	*	*			trans	-73.4	84.5	154.2	-75	-173.7	179.5	-179.1	0	107.8	L20 S24	L20-K22 PolarHBondContact O-N 2.91Å; K22-S24 PolarHBondContact O-N 2.74Å
23	E	49.4	Very low	56	Low	179 Å²	179	141 Å²	141	84%	0.836	78%	0.776	S	S	*	*			trans	-53.2	89.6	151.3	-67.5	178.8	162	0	0	105.9	T21 E25	T21-E23 PolarHBondContact O-N 2.61Å; E23-E25 PolarHBondContact O-N 2.96Å
24	S	51.8	Low	57.5	Low	73 Å²	73	142.5 Å²	142.5	51%	0.51	77%	0.768	S	S	.	*			trans	-61.1	122.5	153.5	48.6	0	0	0	0	104.5	K22 D26	K22-S24 PolarHBondContact O-N 2.74Å; S24-D26 VanDerWaalsContact CB-CG 3.48Å; S24-D26 WeakPolarHBondContact CB-OD2 3.41Å; S24-D26 PolarHBondContact O-N 2.81Å; S24-D26 VanDerWaalsContact OG-CG 3.28Å; S24-D26 PolarHBondContact OG-OD2 2.59Å
25	E	52.4	Low	58.4	Low	195 Å²	195	142.1 Å²	142.1	91%	0.911	76%	0.76	S	S	*	*			trans	-66.2	52.6	162.6	-61.3	177.8	149.4	0	0	108.1	E23 E27	E23-E25 PolarHBondContact O-N 2.96Å; E25-E27 PolarHBondContact O-N 3.06Å; E25-E27 VanDerWaalsContact O-N 3.17Å
26	D	58.8	Low	59.5	Low	131 Å²	131	141.6 Å²	141.6	70%	0.701	75%	0.746	S	S	*	*			trans	-77.1	104.1	170.3	-72.4	-28.4	0	0	0	104.6	S24	S24-D26 VanDerWaalsContact CB-CG 3.48Å; S24-D26 WeakPolarHBondContact CB-OD2 3.41Å; S24-D26 PolarHBondContact O-N 2.81Å; S24-D26 VanDerWaalsContact OG-CG 3.28Å; S24-D26 PolarHBondContact OG-OD2 2.59Å
27	E	56.9	Low	60.6	Low	177 Å²	177	143.4 Å²	143.4	83%	0.827	75%	0.75	S	S	*	*			trans	4.4	120.5	167.8	-66.3	178.8	134	0	0	113.8	E25 A29	E25-E27 PolarHBondContact O-N 3.06Å; E25-E27 VanDerWaalsContact O-N 3.17Å; E27-A29 PolarHBondContact O-N 2.99Å
28	K	57.5	Low	61.5	Low	215 Å²	215	143.6 Å²	143.6	94%	0.935	74%	0.74	S	S	*	*			trans	-53.7	80.2	158	-74.5	178.7	177.7	175.5	0	108.5	E30	K28-E30 VanDerWaalsContact C-N 3.3Å; K28-E30 PolarHBondContact O-N 2.71Å
29	A	63.3	Low	62.1	Low	87 Å²	87	144.7 Å²	144.7	72%	0.719	74%	0.74	S	S	*	*			trans	-67.9	100.7	167	0	0	0	0	0	103.9	E27 P31	E27-A29 PolarHBondContact O-N 2.99Å; A29-P31 VanDerWaalsContact O-N 3.17Å
30	E	67.1	Low	63.6	Low	165 Å²	165	145.2 Å²	145.2	77%	0.771	75%	0.747	S	S	*	*			trans	-38.9	124.5	163.4	-83.5	-83.5	140.6	0	0	107.1	K28 S32	K28-E30 VanDerWaalsContact C-N 3.3Å; K28-E30 PolarHBondContact O-N 2.71Å; E30-S32 PolarHBondContact O-N 2.89Å
31	P	67.1	Low	64.8	Low	105 Å²	105	143.4 Å²	143.4	68%	0.682	74%	0.738	S	S	*	*			trans	-52.7	120.6	176.3	20.2	-28.9	0	0	0	106.3	A29 L33	A29-P31 VanDerWaalsContact O-N 3.17Å; P31-L33 VanDerWaalsContact C-N 3.27Å; P31-L33 PolarHBondContact O-N 2.78Å
32	S	72.9	Confident	66.3	Low	115 Å²	115	143.4 Å²	143.4	80%	0.804	74%	0.739	S	S	*	*			trans	-59.9	100.6	179.1	66.5	0	0	0	0	106.5	E30 F34	E30-S32 PolarHBondContact O-N 2.89Å; S32-F34 VanDerWaalsContact C-N 3.29Å; S32-F34 PolarHBondContact O-N 2.94Å
33	L	73.1	Confident	67.5	Low	149 Å²	149	143.1 Å²	143.1	78%	0.78	74%	0.741	S	S	*	*			trans	-61.1	104.4	166.3	-93.1	162.8	0	0	0	103.9	P31 V35	P31-L33 VanDerWaalsContact C-N 3.27Å; P31-L33 PolarHBondContact O-N 2.78Å; L33-V35 HydrophobicContact CB-CG2 4.18Å; L33-V35 PolarHBondContact O-N 2.91Å
34	F	77.2	Confident	69	Low	167 Å²	167	140.6 Å²	140.6	73%	0.732	74%	0.74	S	S	*	*			trans	-59.8	96.9	164.5	173.7	-100	0	0	0	106.1	S32 E36	S32-F34 VanDerWaalsContact C-N 3.29Å; S32-F34 PolarHBondContact O-N 2.94Å; F34-E36 HydrophobicContact CD1-CB 4.44Å; F34-E36 HydrophobicContact CE1-CB 3.68Å; F34-E36 HydrophobicContact CE1-CG 4.11Å; F34-E36 HydrophobicContact CZ-CB 4.08Å; F34-E36 HydrophobicContact CZ-CG 4.19Å
35	V	73.1	Confident	70.5	Confident	107 Å²	107	145.7 Å²	145.7	65%	0.648	76%	0.756	S	S	*	*			trans	-90	104.4	170.5	-177.6	0	0	0	0	105.1	L33 E37	L33-V35 HydrophobicContact CB-CG2 4.18Å; L33-V35 PolarHBondContact O-N 2.91Å; V35-E37 PolarHBondContact O-N 2.94Å
36	E	74.8	Confident	72.1	Confident	101 Å²	101	142.5 Å²	142.5	47%	0.472	74%	0.739	S	S	.	*			trans	-65.5	98.3	171.1	-165.7	173.1	-158.8	0	0	108	F34 N38 R39	F34-E36 HydrophobicContact CD1-CB 4.44Å; F34-E36 HydrophobicContact CE1-CB 3.68Å; F34-E36 HydrophobicContact CE1-CG 4.11Å; F34-E36 HydrophobicContact CZ-CB 4.08Å; F34-E36 HydrophobicContact CZ-CG 4.19Å; E36-N38 PolarHBondContact O-N 3.5Å; E36-R39 PolarHBondContact O-N 2.78Å; E36-R39 IonicContact OE2-NE 3.9Å
37	E	71.4	Confident	73.6	Confident	177 Å²	177	145 Å²	145	83%	0.827	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-19.2	-168.9	-65.6	-176.7	156.2	0	0	113.7	V35	V35-E37 PolarHBondContact O-N 2.94Å
38	N	72.7	Confident	75.3	Confident	132 Å²	132	139 Å²	139	71%	0.706	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.2	63.6	-179.1	-69.5	-62	0	0	0	111.5	E36 V40	E36-N38 PolarHBondContact O-N 3.5Å; N38-V40 PolarHBondContact O-N 2.98Å
39	R	69.6	Low	77.1	Confident	186 Å²	186	130.9 Å²	130.9	70%	0.702	69%	0.688	S	S	*	*			trans	-70.2	70.7	165.4	-169	-172.8	-75.2	177.7	-1.2	110.3	E36 L41	E36-R39 PolarHBondContact O-N 2.78Å; E36-R39 IonicContact OE2-NE 3.9Å; R39-L41 HydrophobicContact CG-CD2 4.28Å; R39-L41 PolarHBondContact O-N 3.34Å
40	V	76.5	Confident	78.6	Confident	124 Å²	124	128.9 Å²	128.9	75%	0.752	67%	0.667	S	S	*	*			trans	-77.3	107.2	156.6	-177.6	0	0	0	0	105	N38	N38-V40 PolarHBondContact O-N 2.98Å
41	L	75.6	Confident	80	Confident	131 Å²	131	127.4 Å²	127.4	69%	0.686	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-54.7	135.1	171.5	-69.4	175.3	0	0	0	107.6	R39 E43	R39-L41 HydrophobicContact CG-CD2 4.28Å; R39-L41 PolarHBondContact O-N 3.34Å; L41-E43 PolarHBondContact O-N 3.32Å
42	P	79.4	Confident	81.4	Confident	113 Å²	113	125.5 Å²	125.5	73%	0.734	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-53.2	138.9	175.2	23.3	-32.7	0	0	0	108.4
43	E	78.1	Confident	82.6	Confident	177 Å²	177	120.7 Å²	120.7	83%	0.827	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-51.3	133.9	176.8	-70.2	-174.7	171.5	0	0	109.1	L41 Q45	L41-E43 PolarHBondContact O-N 3.32Å; E43-Q45 PolarHBondContact O-N 3.04Å
44	P	80.5	Confident	83.7	Confident	126 Å²	126	114 Å²	114	82%	0.818	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-51.2	122.3	175.7	-26	33.5	0	0	0	109.1	K46	P44-K46 PolarHBondContact O-N 3.1Å
45	Q	81.7	Confident	84.7	Confident	180 Å²	180	108.9 Å²	108.9	84%	0.841	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-58	131.4	179.3	-66.5	-171.6	-28.1	0	0	109.1	E43 Q47	E43-Q45 PolarHBondContact O-N 3.04Å; Q45-Q47 PolarHBondContact O-N 3.24Å; Q45-Q47 VanDerWaalsContact O-N 3.1Å
46	K	87.3	Confident	85.8	Confident	128 Å²	128	107.6 Å²	107.6	56%	0.557	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-50.2	122.9	175.1	179.4	-178.4	172.1	-170.4	0	109.2	P44 F48 E52	P44-K46 PolarHBondContact O-N 3.1Å; K46-F48 HydrophobicContact CB-CE2 4.02Å; K46-F48 HydrophobicContact CB-CZ 4.34Å; K46-F48 HydrophobicContact CD-CD1 4.46Å; K46-F48 HydrophobicContact CD-CE1 3.91Å; K46-F48 HydrophobicContact CD-CE2 4.21Å; K46-F48 HydrophobicContact CD-CZ 3.79Å; K46-F48 HydrophobicContact CG-CD2 4.45Å; K46-F48 HydrophobicContact CG-CE2 4.1Å; K46-F48 HydrophobicContact CG-CZ 4.2Å; K46-F48 WeakPolarHBondContact O-CD2 3.22Å; K46-F48 WeakPolarHBondContact O-CE2 3.39Å; K46-E52 IonicContact NZ-OE1 2.83Å; K46-E52 PolarHBondContact NZ-OE1 2.83Å
47	Q	89.1	Confident	86.8	Confident	182 Å²	182	102.9 Å²	102.9	85%	0.85	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-78	123.4	169.9	-64.8	-177.7	3.4	0	0	108.1	Q45	Q45-Q47 PolarHBondContact O-N 3.24Å; Q45-Q47 VanDerWaalsContact O-N 3.1Å
48	F	92.5	Very high	88	Confident	51 Å²	51	99.8 Å²	99.8	22%	0.224	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-95.5	138.3	177.3	-69.1	-93.9	0	0	0	109.4	K46 E52 V53 Q56 R76	K46-F48 HydrophobicContact CB-CE2 4.02Å; K46-F48 HydrophobicContact CB-CZ 4.34Å; K46-F48 HydrophobicContact CD-CD1 4.46Å; K46-F48 HydrophobicContact CD-CE1 3.91Å; K46-F48 HydrophobicContact CD-CE2 4.21Å; K46-F48 HydrophobicContact CD-CZ 3.79Å; K46-F48 HydrophobicContact CG-CD2 4.45Å; K46-F48 HydrophobicContact CG-CE2 4.1Å; K46-F48 HydrophobicContact CG-CZ 4.2Å; K46-F48 WeakPolarHBondContact O-CD2 3.22Å; K46-F48 WeakPolarHBondContact O-CE2 3.39Å; F48-E52 VanDerWaalsContact CA-OE2 3.28Å; F48-E52 WeakPolarHBondContact CA-OE2 3.35Å; F48-E52 HydrophobicContact CB-CB 4.26Å; F48-E52 HydrophobicContact CD1-CB 4.11Å; F48-V53 HydrophobicContact CB-CG2 3.68Å; F48-Q56 VanDerWaalsContact CD1-NE2 3.3Å; F48-R76 VanDerWaalsContact CE2-NH2 3.34Å
49	S	95.8	Very high	89.1	Confident	46 Å²	46	96.4 Å²	96.4	32%	0.322	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-64.9	161.2	169.6	94.9	0	0	0	0	110.6	E51 E52 V53	S49-E51 WeakPolarHBondContact CB-OE2 3.28Å; S49-E51 PolarHBondContact O-N 3Å; S49-E51 PolarHBondContact OG-N 2.84Å; S49-E51 PolarHBondContact OG-OE2 2.65Å; S49-E52 PolarHBondContact N-OE2 3.09Å; S49-E52 PolarHBondContact O-N 3.33Å; S49-E52 PolarHBondContact OG-N 3.27Å; S49-E52 VanDerWaalsContact OG-N 3.09Å; S49-V53 WeakPolarHBondContact O-CG2 3.21Å; S49-V53 PolarHBondContact O-N 3.25Å
50	V	95.4	Very high	90.4	Very high	45 Å²	45	88.7 Å²	88.7	27%	0.273	47%	0.474	S	S	.	.	H	α-helix	trans	-58.6	-40.4	176.3	173.7	0	0	0	0	110.2	V53 V54 L80	V50-V53 PolarHBondContact O-N 2.79Å; V50-V54 HydrophobicContact CG1-CG2 4.49Å; V50-V54 VanDerWaalsContact O-CG2 3.3Å; V50-V54 WeakPolarHBondContact O-CG2 3.35Å; V50-V54 PolarHBondContact O-N 3.25Å; V50-L80 HydrophobicContact CG1-CD2 3.98Å; V50-L80 HydrophobicContact CG2-CD1 4.26Å
51	E	96.5	Very high	91.2	Very high	133 Å²	133	83.8 Å²	83.8	62%	0.621	44%	0.443	S	S	*	.	H	α-helix	trans	-65.3	-43.5	179.2	-55.1	69.6	-145.7	0	0	111.2	S49 V54 A55	S49-E51 WeakPolarHBondContact CB-OE2 3.28Å; S49-E51 PolarHBondContact O-N 3Å; S49-E51 PolarHBondContact OG-N 2.84Å; S49-E51 PolarHBondContact OG-OE2 2.65Å; E51-V54 PolarHBondContact O-N 3.4Å; E51-A55 VanDerWaalsContact O-CB 3.31Å; E51-A55 WeakPolarHBondContact O-CB 3.31Å; E51-A55 PolarHBondContact O-N 2.95Å
52	E	96.8	Very high	92.1	Very high	66 Å²	66	82.5 Å²	82.5	31%	0.308	44%	0.437	S	S	.	.	H	α-helix	trans	-61.9	-43.7	175.1	-72.7	-178.7	115.4	0	0	111.4	K46 F48 S49 A55 Q56	K46-E52 IonicContact NZ-OE1 2.83Å; K46-E52 PolarHBondContact NZ-OE1 2.83Å; F48-E52 VanDerWaalsContact CA-OE2 3.28Å; F48-E52 WeakPolarHBondContact CA-OE2 3.35Å; F48-E52 HydrophobicContact CB-CB 4.26Å; F48-E52 HydrophobicContact CD1-CB 4.11Å; S49-E52 PolarHBondContact N-OE2 3.09Å; S49-E52 PolarHBondContact O-N 3.33Å; S49-E52 PolarHBondContact OG-N 3.27Å; S49-E52 VanDerWaalsContact OG-N 3.09Å; E52-A55 PolarHBondContact O-N 3.01Å; E52-Q56 WeakPolarHBondContact O-CB 3.45Å; E52-Q56 WeakPolarHBondContact O-CG 3.23Å; E52-Q56 PolarHBondContact O-N 3.37Å
53	V	97.2	Very high	92.8	Very high	14 Å²	14	83.2 Å²	83.2	9%	0.085	43%	0.431	C	S	.	.	H	α-helix	trans	-62	-45.8	177.3	172.3	0	0	0	0	110.8	F48 S49 V50 A57 R76 M77 L80	F48-V53 HydrophobicContact CB-CG2 3.68Å; S49-V53 WeakPolarHBondContact O-CG2 3.21Å; S49-V53 PolarHBondContact O-N 3.25Å; V50-V53 PolarHBondContact O-N 2.79Å; V53-A57 VanDerWaalsContact O-CB 3.28Å; V53-A57 WeakPolarHBondContact O-CB 3.25Å; V53-A57 PolarHBondContact O-N 3.45Å; V53-R76 HydrophobicContact CG1-CB 3.94Å; V53-R76 HydrophobicContact CG2-CB 4.13Å; V53-M77 HydrophobicContact CG1-CB 4.21Å; V53-M77 HydrophobicContact CG1-SD 4.28Å; V53-L80 HydrophobicContact CB-CD2 4.34Å; V53-L80 HydrophobicContact CG1-CB 4.39Å; V53-L80 HydrophobicContact CG1-CD2 3.95Å
54	V	97.3	Very high	93.6	Very high	9 Å²	9	76.5 Å²	76.5	6%	0.055	40%	0.399	C	S	.	.	H	α-helix	trans	-65	-41.8	178.9	169.9	0	0	0	0	111.2	V50 E51 A57 R58 M77 L133	V50-V54 HydrophobicContact CG1-CG2 4.49Å; V50-V54 VanDerWaalsContact O-CG2 3.3Å; V50-V54 WeakPolarHBondContact O-CG2 3.35Å; V50-V54 PolarHBondContact O-N 3.25Å; E51-V54 PolarHBondContact O-N 3.4Å; V54-A57 PolarHBondContact O-N 2.89Å; V54-R58 HydrophobicContact CG1-CG 4.48Å; V54-R58 WeakPolarHBondContact O-CG 3.49Å; V54-R58 PolarHBondContact O-N 3.03Å; V54-M77 HydrophobicContact CG2-SD 4.24Å; V54-L133 WeakPolarHBondContact CG2-O 3.39Å
55	A	96.8	Very high	94.1	Very high	59 Å²	59	75.4 Å²	75.4	49%	0.488	39%	0.386	S	S	.	.	H	α-helix	trans	-62.4	-48.1	177.8	0	0	0	0	0	111.9	E51 E52 A57 R58 A59	E51-A55 VanDerWaalsContact O-CB 3.31Å; E51-A55 WeakPolarHBondContact O-CB 3.31Å; E51-A55 PolarHBondContact O-N 2.95Å; E52-A55 PolarHBondContact O-N 3.01Å; A55-A57 VanDerWaalsContact C-N 3.3Å; A55-A57 PolarHBondContact O-N 3.38Å; A55-R58 PolarHBondContact O-N 3.2Å; A55-A59 PolarHBondContact O-N 2.89Å; A55-A59 VanDerWaalsContact O-N 3.11Å
56	Q	96.1	Very high	94.7	Very high	80 Å²	80	71 Å²	71	37%	0.374	38%	0.38	S	S	.	.	H	α-helix	trans	-60.7	-40.5	174.9	-72.3	173	21.5	0	0	111.7	F48 E52 A59 A60	F48-Q56 VanDerWaalsContact CD1-NE2 3.3Å; E52-Q56 WeakPolarHBondContact O-CB 3.45Å; E52-Q56 WeakPolarHBondContact O-CG 3.23Å; E52-Q56 PolarHBondContact O-N 3.37Å; Q56-A59 PolarHBondContact O-N 3.41Å; Q56-A60 WeakPolarHBondContact O-CB 3.31Å; Q56-A60 PolarHBondContact O-N 2.92Å
57	A	96.9	Very high	95	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.008	38%	0.376	C	S	.	.	H	α-helix	trans	-62.8	-46.2	178.1	0	0	0	0	0	112.4	V53 V54 A55 A59 A60 I61 M77 L134	V53-A57 VanDerWaalsContact O-CB 3.28Å; V53-A57 WeakPolarHBondContact O-CB 3.25Å; V53-A57 PolarHBondContact O-N 3.45Å; V54-A57 PolarHBondContact O-N 2.89Å; A55-A57 VanDerWaalsContact C-N 3.3Å; A55-A57 PolarHBondContact O-N 3.38Å; A57-A59 VanDerWaalsContact C-N 3.34Å; A57-A59 PolarHBondContact O-N 3.3Å; A57-A60 PolarHBondContact O-N 2.93Å; A57-I61 WeakPolarHBondContact O-CB 3.5Å; A57-I61 WeakPolarHBondContact O-CD1 3.36Å; A57-I61 WeakPolarHBondContact O-CG1 3.01Å; A57-I61 PolarHBondContact O-N 3.42Å; A57-M77 HydrophobicContact CB-CB 3.65Å; A57-M77 HydrophobicContact CB-CG 3.59Å; A57-M77 HydrophobicContact CB-SD 3.93Å; A57-L134 HydrophobicContact CB-CD2 3.87Å
58	R	96.1	Very high	95	Very high	112 Å²	112	63.8 Å²	63.8	42%	0.423	37%	0.37	S	S	.	.	H	α-helix	trans	-59.4	-44.8	176.9	-74.1	174.8	174.3	-168.7	1.7	111.4	V54 A55 I61 N62 L134 N135	V54-R58 HydrophobicContact CG1-CG 4.48Å; V54-R58 WeakPolarHBondContact O-CG 3.49Å; V54-R58 PolarHBondContact O-N 3.03Å; A55-R58 PolarHBondContact O-N 3.2Å; R58-I61 PolarHBondContact O-N 3Å; R58-N62 WeakPolarHBondContact O-CB 3.3Å; R58-N62 PolarHBondContact O-N 2.87Å; R58-N62 PolarHBondContact O-ND2 3.4Å; R58-N62 PolarHBondContact O-OD1 2.95Å; R58-L134 HydrophobicContact CG-CD2 4.22Å; R58-L134 PolarHBondContact NE-O 3.44Å; R58-L134 PolarHBondContact NH2-O 3.43Å; R58-N135 PolarHBondContact NH2-O 2.99Å
59	A	96.5	Very high	94.6	Very high	61 Å²	61	67 Å²	67	50%	0.504	38%	0.384	S	S	.	.	H	α-helix	trans	-59.4	-50.2	177.1	0	0	0	0	0	111.8	A55 Q56 A57 I61 N62 E63	A55-A59 PolarHBondContact O-N 2.89Å; A55-A59 VanDerWaalsContact O-N 3.11Å; Q56-A59 PolarHBondContact O-N 3.41Å; A57-A59 VanDerWaalsContact C-N 3.34Å; A57-A59 PolarHBondContact O-N 3.3Å; A59-I61 VanDerWaalsContact C-N 3.34Å; A59-I61 PolarHBondContact O-N 3.41Å; A59-N62 PolarHBondContact O-N 3.11Å; A59-E63 PolarHBondContact O-N 3.37Å
60	A	95.7	Very high	94.2	Very high	25 Å²	25	70.9 Å²	70.9	21%	0.207	41%	0.406	C	S	.	.	H	α-helix	trans	-65.6	-33.3	179.3	0	0	0	0	0	113.4	Q56 A57 Q64 P74	Q56-A60 WeakPolarHBondContact O-CB 3.31Å; Q56-A60 PolarHBondContact O-N 2.92Å; A57-A60 PolarHBondContact O-N 2.93Å; A60-Q64 VanDerWaalsContact O-CG 3.27Å; A60-Q64 WeakPolarHBondContact O-CG 3.22Å; A60-Q64 PolarHBondContact O-N 3.35Å; A60-Q64 VanDerWaalsContact O-N 3.13Å; A60-Q64 PolarHBondContact O-NE2 2.87Å; A60-P74 HydrophobicContact CB-CG 3.58Å
61	I	94.2	Very high	93.8	Very high	20 Å²	20	70.7 Å²	70.7	10%	0.103	41%	0.405	C	S	.	.	H	α-helix	trans	-68.2	-44.4	174.7	-70.2	165.4	0	0	0	110.1	A57 R58 A59 E63 Q64 L65 V71 L73 L134	A57-I61 WeakPolarHBondContact O-CB 3.5Å; A57-I61 WeakPolarHBondContact O-CD1 3.36Å; A57-I61 WeakPolarHBondContact O-CG1 3.01Å; A57-I61 PolarHBondContact O-N 3.42Å; R58-I61 PolarHBondContact O-N 3Å; A59-I61 VanDerWaalsContact C-N 3.34Å; A59-I61 PolarHBondContact O-N 3.41Å; I61-E63 VanDerWaalsContact C-N 3.32Å; I61-E63 PolarHBondContact O-N 3.34Å; I61-Q64 PolarHBondContact O-N 3.37Å; I61-L65 HydrophobicContact CG2-CD1 3.94Å; I61-L65 HydrophobicContact CG2-CG 4.35Å; I61-L65 WeakPolarHBondContact O-CG 3.47Å; I61-L65 PolarHBondContact O-N 3.27Å; I61-V71 HydrophobicContact CB-CG1 4.26Å; I61-V71 HydrophobicContact CD1-CG1 4.49Å; I61-V71 HydrophobicContact CG1-CG1 3.8Å; I61-V71 HydrophobicContact CG2-CG1 3.79Å; I61-V71 HydrophobicContact CG2-CG2 4.21Å; I61-L73 HydrophobicContact CD1-CD2 4.05Å; I61-L134 HydrophobicContact CD1-CD1 3.74Å; I61-L134 HydrophobicContact CD1-CD2 3.98Å
62	N	94	Very high	93.7	Very high	104 Å²	104	70.9 Å²	70.9	56%	0.556	40%	0.404	S	S	*	.	H	α-helix	trans	-62.1	-40.4	178.8	-70.6	-12.9	0	0	0	111.8	R58 A59 L65 A66	R58-N62 WeakPolarHBondContact O-CB 3.3Å; R58-N62 PolarHBondContact O-N 2.87Å; R58-N62 PolarHBondContact O-ND2 3.4Å; R58-N62 PolarHBondContact O-OD1 2.95Å; A59-N62 PolarHBondContact O-N 3.11Å; N62-L65 PolarHBondContact O-N 3.42Å; N62-A66 WeakPolarHBondContact O-CB 3.27Å; N62-A66 PolarHBondContact O-N 3.21Å
63	E	95.2	Very high	93.6	Very high	128 Å²	128	68.2 Å²	68.2	60%	0.598	39%	0.391	S	S	*	.	H	α-helix	trans	-62.1	-47.6	174	-174.4	-178.2	-178.3	0	0	111.7	A59 I61 L65 A66 D67	A59-E63 PolarHBondContact O-N 3.37Å; I61-E63 VanDerWaalsContact C-N 3.32Å; I61-E63 PolarHBondContact O-N 3.34Å; E63-L65 VanDerWaalsContact C-N 3.3Å; E63-L65 PolarHBondContact O-N 3.35Å; E63-A66 WeakPolarHBondContact O-CB 3.41Å; E63-A66 PolarHBondContact O-N 3.43Å; E63-A66 VanDerWaalsContact O-N 3.16Å; E63-D67 PolarHBondContact O-N 2.67Å
64	Q	93.7	Very high	93.5	Very high	36 Å²	36	69.5 Å²	69.5	17%	0.168	40%	0.4	C	S	.	.	H	α-helix	trans	-60.1	-40.1	176.3	-74.1	171.5	83.3	0	0	112.8	A60 I61 D67 G68 K69 K72	A60-Q64 VanDerWaalsContact O-CG 3.27Å; A60-Q64 WeakPolarHBondContact O-CG 3.22Å; A60-Q64 PolarHBondContact O-N 3.35Å; A60-Q64 VanDerWaalsContact O-N 3.13Å; A60-Q64 PolarHBondContact O-NE2 2.87Å; I61-Q64 PolarHBondContact O-N 3.37Å; Q64-D67 PolarHBondContact O-N 3.33Å; Q64-G68 PolarHBondContact O-N 2.96Å; Q64-K69 HydrophobicContact CB-CB 4.28Å; Q64-K69 WeakPolarHBondContact O-CB 3.47Å; Q64-K69 PolarHBondContact O-N 3.01Å; Q64-K72 PolarHBondContact NE2-O 3.16Å; Q64-K72 PolarHBondContact OE1-O 2.77Å
65	L	91.5	Very high	93.4	Very high	104 Å²	104	75.6 Å²	75.6	55%	0.545	43%	0.426	S	S	.	.	H	α-helix	trans	-65	-41.1	176.1	-73.5	172	0	0	0	111.6	I61 N62 E63 D67 G68 V71	I61-L65 HydrophobicContact CG2-CD1 3.94Å; I61-L65 HydrophobicContact CG2-CG 4.35Å; I61-L65 WeakPolarHBondContact O-CG 3.47Å; I61-L65 PolarHBondContact O-N 3.27Å; N62-L65 PolarHBondContact O-N 3.42Å; E63-L65 VanDerWaalsContact C-N 3.3Å; E63-L65 PolarHBondContact O-N 3.35Å; L65-D67 VanDerWaalsContact C-N 3.28Å; L65-D67 PolarHBondContact O-N 2.91Å; L65-G68 PolarHBondContact O-N 3.13Å; L65-G68 VanDerWaalsContact O-N 3.11Å; L65-V71 HydrophobicContact CD2-CG2 3.46Å; L65-V71 VanDerWaalsContact CD2-CG2 3.46Å; L65-V71 HydrophobicContact CG-CG2 3.69Å
66	A	94.4	Very high	93.4	Very high	86 Å²	86	78.2 Å²	78.2	71%	0.711	42%	0.423	S	S	*	.	H	α-helix	trans	-62.6	-36.2	175.9	0	0	0	0	0	112.1	N62 E63 G68	N62-A66 WeakPolarHBondContact O-CB 3.27Å; N62-A66 PolarHBondContact O-N 3.21Å; E63-A66 WeakPolarHBondContact O-CB 3.41Å; E63-A66 PolarHBondContact O-N 3.43Å; E63-A66 VanDerWaalsContact O-N 3.16Å; A66-G68 PolarHBondContact O-N 3.27Å
67	D	93.3	Very high	93.4	Very high	90 Å²	90	74.4 Å²	74.4	48%	0.481	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-1.4	175.8	-70.2	-14	0	0	0	114	E63 Q64 L65 K69	E63-D67 PolarHBondContact O-N 2.67Å; Q64-D67 PolarHBondContact O-N 3.33Å; L65-D67 VanDerWaalsContact C-N 3.28Å; L65-D67 PolarHBondContact O-N 2.91Å; D67-K69 HydrophobicContact CB-CD 3.77Å; D67-K69 HydrophobicContact CB-CG 3.82Å; D67-K69 PolarHBondContact O-N 3.16Å; D67-K69 WeakPolarHBondContact OD2-CE 3.48Å; D67-K69 IonicContact OD2-NZ 2.67Å; D67-K69 PolarHBondContact OD2-NZ 3.32Å
68	G	88.8	Confident	93.4	Very high	70 Å²	70	77.7 Å²	77.7	72%	0.722	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	18.5	-174.3	0	0	0	0	0	113.9	Q64 L65 A66	Q64-G68 PolarHBondContact O-N 2.96Å; L65-G68 PolarHBondContact O-N 3.13Å; L65-G68 VanDerWaalsContact O-N 3.11Å; A66-G68 PolarHBondContact O-N 3.27Å
69	K	84.6	Confident	93.4	Very high	118 Å²	118	77.3 Å²	77.3	51%	0.513	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-78.1	153.8	-179.8	-68.3	168.8	-178.7	158.3	0	110.7	Q64 D67 V71	Q64-K69 HydrophobicContact CB-CB 4.28Å; Q64-K69 WeakPolarHBondContact O-CB 3.47Å; Q64-K69 PolarHBondContact O-N 3.01Å; D67-K69 HydrophobicContact CB-CD 3.77Å; D67-K69 HydrophobicContact CB-CG 3.82Å; D67-K69 PolarHBondContact O-N 3.16Å; D67-K69 WeakPolarHBondContact OD2-CE 3.48Å; D67-K69 IonicContact OD2-NZ 2.67Å; D67-K69 PolarHBondContact OD2-NZ 3.32Å; K69-V71 PolarHBondContact O-N 3.35Å
70	T	87.4	Confident	93.5	Very high	128 Å²	128	75.5 Å²	75.5	79%	0.785	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-67	118.1	164.1	-56.5	0	0	0	0	109.3	K72	T70-K72 PolarHBondContact O-N 2.97Å
71	V	87.8	Confident	93.6	Very high	41 Å²	41	74.3 Å²	74.3	25%	0.248	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-59	126	-177.4	176.5	0	0	0	0	111.5	I61 L65 K69	I61-V71 HydrophobicContact CB-CG1 4.26Å; I61-V71 HydrophobicContact CD1-CG1 4.49Å; I61-V71 HydrophobicContact CG1-CG1 3.8Å; I61-V71 HydrophobicContact CG2-CG1 3.79Å; I61-V71 HydrophobicContact CG2-CG2 4.21Å; L65-V71 HydrophobicContact CD2-CG2 3.46Å; L65-V71 VanDerWaalsContact CD2-CG2 3.46Å; L65-V71 HydrophobicContact CG-CG2 3.69Å; K69-V71 PolarHBondContact O-N 3.35Å
72	K	93.3	Very high	93.7	Very high	137 Å²	137	75.4 Å²	75.4	60%	0.596	40%	0.398	S	S	*	.			trans	-119.7	136.4	166.6	-67.5	-174.5	179.1	179.3	0	109.9	Q64 T70	Q64-K72 PolarHBondContact NE2-O 3.16Å; Q64-K72 PolarHBondContact OE1-O 2.77Å; T70-K72 PolarHBondContact O-N 2.97Å
73	L	94.4	Very high	93.7	Very high	9 Å²	9	73.1 Å²	73.1	5%	0.047	39%	0.39	C	S	.	.			trans	-67.2	134.3	174.5	-56.4	165.2	0	0	0	110.3	I61 M77 W78 H113 T130 L134	I61-L73 HydrophobicContact CD1-CD2 4.05Å; L73-M77 HydrophobicContact CB-CB 4.44Å; L73-M77 HydrophobicContact CB-CG 4.43Å; L73-M77 HydrophobicContact CD2-CG 4.05Å; L73-W78 HydrophobicContact CB-CB 4.2Å; L73-H113 WeakPolarHBondContact CB-ND1 3.5Å; L73-H113 HydrophobicContact CD1-CB 4.31Å; L73-H113 HydrophobicContact CG-CB 4.19Å; L73-H113 PolarHBondContact N-ND1 2.92Å; L73-H113 PolarHBondContact O-ND1 3.26Å; L73-T130 HydrophobicContact CD1-CG2 3.35Å; L73-T130 HydrophobicContact CD2-CG2 3.54Å; L73-T130 HydrophobicContact CG-CG2 4.05Å; L73-L134 HydrophobicContact CD2-CD1 4.21Å
74	P	95.6	Very high	93.7	Very high	41 Å²	41	71.9 Å²	71.9	27%	0.266	38%	0.38	S	S	.	.			trans	-56.7	151.2	167.5	-26.7	37.3	0	0	0	111.7	A60 R76 M77 W78	A60-P74 HydrophobicContact CB-CG 3.58Å; P74-R76 VanDerWaalsContact C-N 3.33Å; P74-R76 PolarHBondContact O-N 3.48Å; P74-M77 WeakPolarHBondContact O-CB 3.43Å; P74-M77 PolarHBondContact O-N 3.13Å; P74-W78 PolarHBondContact O-N 3.2Å
75	F	95.5	Very high	93.8	Very high	138 Å²	138	71.6 Å²	71.6	61%	0.605	38%	0.381	S	S	*	.	H	α-helix	trans	-50.6	-47.6	-173.4	175.2	-101.7	0	0	0	113.6	M77 W78 Q79	F75-M77 VanDerWaalsContact C-N 3.34Å; F75-M77 PolarHBondContact O-N 3.41Å; F75-W78 PolarHBondContact O-N 3.08Å; F75-Q79 VanDerWaalsContact CE1-OE1 3.31Å; F75-Q79 VanDerWaalsContact O-CB 3.31Å; F75-Q79 WeakPolarHBondContact O-CB 3.49Å; F75-Q79 PolarHBondContact O-N 3.47Å
76	R	95.9	Very high	93.7	Very high	113 Å²	113	72 Å²	72	43%	0.426	39%	0.388	S	S	.	.	H	α-helix	trans	-63.5	-38	-179.8	-66.1	-173.4	-176.2	112.1	4.8	112.9	F48 V53 P74 L80	F48-R76 VanDerWaalsContact CE2-NH2 3.34Å; V53-R76 HydrophobicContact CG1-CB 3.94Å; V53-R76 HydrophobicContact CG2-CB 4.13Å; P74-R76 VanDerWaalsContact C-N 3.33Å; P74-R76 PolarHBondContact O-N 3.48Å; R76-L80 VanDerWaalsContact O-CB 3.25Å; R76-L80 WeakPolarHBondContact O-CB 3.28Å; R76-L80 PolarHBondContact O-N 3.36Å
77	M	97.2	Very high	93.7	Very high	1 Å²	1	70.2 Å²	70.2	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-68.3	-43.1	176.2	-176.3	61.3	-134.5	0	0	111.2	V53 V54 A57 L73 P74 F75 L80 A81 T130 L133 L134	V53-M77 HydrophobicContact CG1-CB 4.21Å; V53-M77 HydrophobicContact CG1-SD 4.28Å; V54-M77 HydrophobicContact CG2-SD 4.24Å; A57-M77 HydrophobicContact CB-CB 3.65Å; A57-M77 HydrophobicContact CB-CG 3.59Å; A57-M77 HydrophobicContact CB-SD 3.93Å; L73-M77 HydrophobicContact CB-CB 4.44Å; L73-M77 HydrophobicContact CB-CG 4.43Å; L73-M77 HydrophobicContact CD2-CG 4.05Å; P74-M77 WeakPolarHBondContact O-CB 3.43Å; P74-M77 PolarHBondContact O-N 3.13Å; F75-M77 VanDerWaalsContact C-N 3.34Å; F75-M77 PolarHBondContact O-N 3.41Å; M77-L80 PolarHBondContact O-N 3.24Å; M77-L80 HydrophobicContact SD-CD2 4.42Å; M77-A81 HydrophobicContact CE-CB 4.45Å; M77-A81 WeakPolarHBondContact O-CB 3.42Å; M77-A81 PolarHBondContact O-N 2.96Å; M77-T130 HydrophobicContact CE-CG2 3.96Å; M77-L133 HydrophobicContact CE-CB 3.55Å; M77-L133 HydrophobicContact CE-CD1 3.83Å; M77-L133 HydrophobicContact CE-CG 4.36Å; M77-L134 HydrophobicContact CE-CG 4.28Å; M77-L134 HydrophobicContact CG-CD2 4.37Å; M77-L134 HydrophobicContact SD-CD2 4.05Å; M77-L134 HydrophobicContact SD-CG 4.46Å
78	W	96.9	Very high	93.8	Very high	69 Å²	69	73.8 Å²	73.8	26%	0.261	37%	0.373	S	S	.	.	H	α-helix	trans	-62.4	-44.6	175.1	179.9	84.1	0	0	0	111.6	L73 P74 F75 A81 M82 V110 H113	L73-W78 HydrophobicContact CB-CB 4.2Å; P74-W78 PolarHBondContact O-N 3.2Å; F75-W78 PolarHBondContact O-N 3.08Å; W78-A81 PolarHBondContact O-N 3.31Å; W78-M82 HydrophobicContact CD2-CG 3.96Å; W78-M82 HydrophobicContact CE3-CG 4.3Å; W78-M82 HydrophobicContact CH2-CG 4.17Å; W78-M82 HydrophobicContact CZ2-CE 4.37Å; W78-M82 HydrophobicContact CZ2-CG 3.82Å; W78-M82 HydrophobicContact CZ2-SD 4.1Å; W78-M82 HydrophobicContact CZ3-CG 4.4Å; W78-M82 WeakPolarHBondContact O-CB 3.41Å; W78-M82 VanDerWaalsContact O-CG 3.22Å; W78-M82 WeakPolarHBondContact O-CG 3.28Å; W78-M82 PolarHBondContact O-N 3.25Å; W78-V110 PolarHBondContact NE1-O 2.91Å; W78-H113 AromaticContact CD1-CE1 3.53Å; W78-H113 AromaticContact CD1-ND1 3.77Å; W78-H113 AromaticContact CD1-NE2 3.87Å; W78-H113 AromaticContact CG-CE1 3.86Å
79	Q	96.2	Very high	94.1	Very high	104 Å²	104	77.1 Å²	77.1	49%	0.486	37%	0.365	S	S	.	.	H	α-helix	trans	-63	-43.6	176.9	-172.8	-178.7	14.6	0	0	111.9	F75 M82 S83	F75-Q79 VanDerWaalsContact CE1-OE1 3.31Å; F75-Q79 VanDerWaalsContact O-CB 3.31Å; F75-Q79 WeakPolarHBondContact O-CB 3.49Å; F75-Q79 PolarHBondContact O-N 3.47Å; Q79-M82 PolarHBondContact O-N 2.89Å; Q79-S83 PolarHBondContact O-N 3.37Å
80	L	97.2	Very high	94.7	Very high	23 Å²	23	76.9 Å²	76.9	12%	0.12	37%	0.366	C	S	.	.	H	α-helix	trans	-61.1	-44.2	174	174.1	64.8	0	0	0	111.3	V50 V53 R76 M77 S83 R84 L133	V50-L80 HydrophobicContact CG1-CD2 3.98Å; V50-L80 HydrophobicContact CG2-CD1 4.26Å; V53-L80 HydrophobicContact CB-CD2 4.34Å; V53-L80 HydrophobicContact CG1-CB 4.39Å; V53-L80 HydrophobicContact CG1-CD2 3.95Å; R76-L80 VanDerWaalsContact O-CB 3.25Å; R76-L80 WeakPolarHBondContact O-CB 3.28Å; R76-L80 PolarHBondContact O-N 3.36Å; M77-L80 PolarHBondContact O-N 3.24Å; M77-L80 HydrophobicContact SD-CD2 4.42Å; L80-S83 PolarHBondContact O-N 3.03Å; L80-S83 PolarHBondContact O-OG 3.42Å; L80-R84 WeakPolarHBondContact O-CG 3.43Å; L80-R84 PolarHBondContact O-N 3.45Å; L80-L133 HydrophobicContact CD2-CD1 4.36Å; L80-L133 HydrophobicContact CD2-CD2 4.45Å; L80-L133 HydrophobicContact CG-CD1 4.04Å
81	A	97.5	Very high	95.1	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-63	-46.4	176.6	0	0	0	0	0	111.5	M77 W78 S83 R84 C85 V110 V129 T130 L133	M77-A81 HydrophobicContact CE-CB 4.45Å; M77-A81 WeakPolarHBondContact O-CB 3.42Å; M77-A81 PolarHBondContact O-N 2.96Å; W78-A81 PolarHBondContact O-N 3.31Å; A81-S83 VanDerWaalsContact C-N 3.31Å; A81-S83 PolarHBondContact O-N 3.49Å; A81-R84 PolarHBondContact O-N 2.74Å; A81-R84 VanDerWaalsContact O-N 3.08Å; A81-C85 PolarHBondContact O-N 3.41Å; A81-C85 PolarHBondContact O-SG 3.4Å; A81-V110 HydrophobicContact CB-CG1 3.74Å; A81-V129 HydrophobicContact CB-CG1 4.19Å; A81-V129 WeakPolarHBondContact O-CG1 3.17Å; A81-T130 VanDerWaalsContact CB-OG1 3.28Å; A81-T130 WeakPolarHBondContact CB-OG1 3.45Å; A81-L133 HydrophobicContact CB-CD1 4.19Å
82	M	96.5	Very high	95.5	Very high	43 Å²	43	74.1 Å²	74.1	21%	0.212	34%	0.339	C	S	.	.	H	α-helix	trans	-61	-36.5	177.8	-72.6	-69.1	-60.7	0	0	112.7	W78 Q79 R84 C85 V110	W78-M82 HydrophobicContact CD2-CG 3.96Å; W78-M82 HydrophobicContact CE3-CG 4.3Å; W78-M82 HydrophobicContact CH2-CG 4.17Å; W78-M82 HydrophobicContact CZ2-CE 4.37Å; W78-M82 HydrophobicContact CZ2-CG 3.82Å; W78-M82 HydrophobicContact CZ2-SD 4.1Å; W78-M82 HydrophobicContact CZ3-CG 4.4Å; W78-M82 WeakPolarHBondContact O-CB 3.41Å; W78-M82 VanDerWaalsContact O-CG 3.22Å; W78-M82 WeakPolarHBondContact O-CG 3.28Å; W78-M82 PolarHBondContact O-N 3.25Å; Q79-M82 PolarHBondContact O-N 2.89Å; M82-R84 VanDerWaalsContact C-N 3.27Å; M82-R84 PolarHBondContact O-N 2.75Å; M82-C85 WeakPolarHBondContact O-CB 3.44Å; M82-C85 PolarHBondContact O-N 3.22Å; M82-C85 VanDerWaalsContact O-N 3.13Å; M82-V110 HydrophobicContact CG-CG1 4.09Å; M82-V110 HydrophobicContact SD-CB 4.45Å; M82-V110 HydrophobicContact SD-CG1 3.77Å
83	S	95.6	Very high	95.6	Very high	57 Å²	57	73.2 Å²	73.2	40%	0.399	34%	0.335	S	S	.	.	H	α-helix	trans	-66.8	-29.9	176.2	76.2	0	0	0	0	112.4	Q79 L80 A81 C85 T86	Q79-S83 PolarHBondContact O-N 3.37Å; L80-S83 PolarHBondContact O-N 3.03Å; L80-S83 PolarHBondContact O-OG 3.42Å; A81-S83 VanDerWaalsContact C-N 3.31Å; A81-S83 PolarHBondContact O-N 3.49Å; S83-C85 VanDerWaalsContact C-N 3.33Å; S83-T86 WeakPolarHBondContact O-CB 3.3Å; S83-T86 VanDerWaalsContact O-CG2 3.23Å; S83-T86 WeakPolarHBondContact O-CG2 3.44Å; S83-T86 PolarHBondContact O-N 2.91Å; S83-T86 PolarHBondContact O-OG1 3.46Å
84	R	95.3	Very high	95.7	Very high	102 Å²	102	80.6 Å²	80.6	39%	0.385	37%	0.367	S	S	.	.	H	α-helix	trans	-81.1	-8.5	173.5	-57.5	-57.7	178.8	94.7	3.4	114	L80 A81 M82 T86 V129 L133 P147	L80-R84 WeakPolarHBondContact O-CG 3.43Å; L80-R84 PolarHBondContact O-N 3.45Å; A81-R84 PolarHBondContact O-N 2.74Å; A81-R84 VanDerWaalsContact O-N 3.08Å; M82-R84 VanDerWaalsContact C-N 3.27Å; M82-R84 PolarHBondContact O-N 2.75Å; R84-T86 VanDerWaalsContact C-N 3.31Å; R84-V129 HydrophobicContact CB-CG1 4.38Å; R84-V129 HydrophobicContact CB-CG2 3.6Å; R84-V129 HydrophobicContact CG-CG2 4.31Å; R84-L133 HydrophobicContact CG-CD1 4.19Å; R84-P147 PolarHBondContact NH1-O 3.5Å
85	C	94.1	Very high	95.7	Very high	29 Å²	29	79.1 Å²	79.1	20%	0.196	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	0.8	170.4	-59.6	0	0	0	0	113.2	A81 M82 S83 H106	A81-C85 PolarHBondContact O-N 3.41Å; A81-C85 PolarHBondContact O-SG 3.4Å; M82-C85 WeakPolarHBondContact O-CB 3.44Å; M82-C85 PolarHBondContact O-N 3.22Å; M82-C85 VanDerWaalsContact O-N 3.13Å; S83-C85 VanDerWaalsContact C-N 3.33Å; C85-H106 PolarHBondContact SG-NE2 3.34Å
86	T	91.3	Very high	95.6	Very high	112 Å²	112	73.9 Å²	73.9	69%	0.687	34%	0.337	S	S	*	.			trans	-66.7	139	-174.2	52.1	0	0	0	0	111.7	S83 R84	S83-T86 WeakPolarHBondContact O-CB 3.3Å; S83-T86 VanDerWaalsContact O-CG2 3.23Å; S83-T86 WeakPolarHBondContact O-CG2 3.44Å; S83-T86 PolarHBondContact O-N 2.91Å; S83-T86 PolarHBondContact O-OG1 3.46Å; R84-T86 VanDerWaalsContact C-N 3.31Å
87	L	93.7	Very high	95.6	Very high	50 Å²	50	73.9 Å²	73.9	26%	0.262	35%	0.352	S	S	.	.			trans	-139.2	133.9	-176.3	174.2	62.1	0	0	0	109	D91 Y92 L95 V103 G165 A166	L87-D91 HydrophobicContact CD1-CB 3.73Å; L87-Y92 HydrophobicContact CD2-CD2 3.59Å; L87-Y92 HydrophobicContact CD2-CG 4.12Å; L87-L95 HydrophobicContact CD2-CD1 4.13Å; L87-V103 HydrophobicContact CD2-CG1 4.16Å; L87-V103 HydrophobicContact CD2-CG2 4.42Å; L87-G165 WeakPolarHBondContact CD1-O 3.44Å; L87-A166 HydrophobicContact CD1-CB 3.73Å; L87-A166 HydrophobicContact CD2-CB 3.98Å; L87-A166 HydrophobicContact CG-CB 4.45Å
88	R	95.6	Very high	95.5	Very high	164 Å²	164	75.4 Å²	75.4	62%	0.619	36%	0.357	S	S	*	.			trans	-73.2	144.7	173.5	-61.9	-179.5	-62	-147.3	1.8	110.3	E90 D91 Y92	R88-E90 VanDerWaalsContact C-N 3.25Å; R88-E90 PolarHBondContact O-N 3.32Å; R88-D91 IonicContact CZ-OD2 3.54Å; R88-D91 IonicContact NE-OD2 3.7Å; R88-D91 PolarHBondContact NE-OD2 3.16Å; R88-D91 IonicContact NH2-OD1 3.16Å; R88-D91 PolarHBondContact NH2-OD1 3.41Å; R88-D91 IonicContact NH2-OD2 2.71Å; R88-D91 PolarHBondContact NH2-OD2 3.33Å; R88-D91 PolarHBondContact O-N 2.93Å; R88-D91 VanDerWaalsContact O-N 3.16Å; R88-Y92 PolarHBondContact O-N 3.4Å
89	Y	95.4	Very high	95.4	Very high	140 Å²	140	72.1 Å²	72.1	55%	0.549	35%	0.345	S	S	.	.	H	α-helix	trans	-62.9	-34.9	-179.2	-178.3	-123.9	0	0	0	112.4	D91 Y92 K93	Y89-D91 VanDerWaalsContact C-N 3.3Å; Y89-D91 PolarHBondContact O-N 3.21Å; Y89-Y92 PolarHBondContact O-N 2.95Å; Y89-K93 HydrophobicContact CD1-CD 4.42Å; Y89-K93 HydrophobicContact CE1-CD 4.04Å; Y89-K93 HydrophobicContact CE2-CG 4.28Å; Y89-K93 WeakPolarHBondContact O-CG 3.38Å; Y89-K93 PolarHBondContact O-N 2.97Å; Y89-K93 WeakPolarHBondContact OH-CE 3.43Å; Y89-K93 PolarHBondContact OH-NZ 3.28Å
90	E	96.3	Very high	95.4	Very high	113 Å²	113	71.5 Å²	71.5	53%	0.528	34%	0.338	S	S	.	.	H	α-helix	trans	-65	-35	177.7	-66.1	63.4	-135.5	0	0	111.9	R88 K94	R88-E90 VanDerWaalsContact C-N 3.25Å; R88-E90 PolarHBondContact O-N 3.32Å; E90-K94 WeakPolarHBondContact O-CD 3.24Å; E90-K94 WeakPolarHBondContact O-CE 3.3Å; E90-K94 WeakPolarHBondContact O-CG 3.32Å
91	D	96.2	Very high	95.4	Very high	22 Å²	22	74.7 Å²	74.7	12%	0.118	35%	0.353	C	S	.	.	H	α-helix	trans	-75.5	-45.1	175	-63.9	-35.5	0	0	0	110	L87 R88 Y89 K93 K94 L95	L87-D91 HydrophobicContact CD1-CB 3.73Å; R88-D91 IonicContact CZ-OD2 3.54Å; R88-D91 IonicContact NE-OD2 3.7Å; R88-D91 PolarHBondContact NE-OD2 3.16Å; R88-D91 IonicContact NH2-OD1 3.16Å; R88-D91 PolarHBondContact NH2-OD1 3.41Å; R88-D91 IonicContact NH2-OD2 2.71Å; R88-D91 PolarHBondContact NH2-OD2 3.33Å; R88-D91 PolarHBondContact O-N 2.93Å; R88-D91 VanDerWaalsContact O-N 3.16Å; Y89-D91 VanDerWaalsContact C-N 3.3Å; Y89-D91 PolarHBondContact O-N 3.21Å; D91-K93 VanDerWaalsContact C-N 3.29Å; D91-K93 PolarHBondContact O-N 3.27Å; D91-K94 PolarHBondContact O-N 3.45Å; D91-L95 PolarHBondContact O-N 3.44Å
92	Y	96.1	Very high	95.4	Very high	90 Å²	90	75.1 Å²	75.1	35%	0.353	36%	0.355	S	S	.	.	H	α-helix	trans	-55.3	-42.3	177.6	-178.7	-100.2	0	0	0	113	L87 R88 Y89 K94 L95 R100	L87-Y92 HydrophobicContact CD2-CD2 3.59Å; L87-Y92 HydrophobicContact CD2-CG 4.12Å; R88-Y92 PolarHBondContact O-N 3.4Å; Y89-Y92 PolarHBondContact O-N 2.95Å; Y92-K94 PolarHBondContact O-N 3.24Å; Y92-L95 HydrophobicContact CD2-CD1 4.2Å; Y92-L95 WeakPolarHBondContact O-CB 3.5Å; Y92-L95 PolarHBondContact O-N 3.26Å; Y92-R100 HydrophobicContact CD2-CG 4.3Å; Y92-R100 HydrophobicContact CE2-CB 4.11Å; Y92-R100 HydrophobicContact CE2-CG 3.72Å; Y92-R100 PolarHBondContact O-NE 2.9Å
93	K	96.3	Very high	95.4	Very high	117 Å²	117	74 Å²	74	51%	0.509	35%	0.351	S	S	.	.	H	α-helix	trans	-59.6	-34.8	177.9	-82.6	-174.9	168	166.3	0	113.4	Y89 D91 L95 R100	Y89-K93 HydrophobicContact CD1-CD 4.42Å; Y89-K93 HydrophobicContact CE1-CD 4.04Å; Y89-K93 HydrophobicContact CE2-CG 4.28Å; Y89-K93 WeakPolarHBondContact O-CG 3.38Å; Y89-K93 PolarHBondContact O-N 2.97Å; Y89-K93 WeakPolarHBondContact OH-CE 3.43Å; Y89-K93 PolarHBondContact OH-NZ 3.28Å; D91-K93 VanDerWaalsContact C-N 3.29Å; D91-K93 PolarHBondContact O-N 3.27Å; K93-L95 VanDerWaalsContact C-N 3.32Å; K93-R100 PolarHBondContact O-NH2 2.9Å
94	K	95.5	Very high	95.5	Very high	165 Å²	165	73.7 Å²	73.7	72%	0.717	35%	0.351	S	S	*	.	H	α-helix	trans	-79.6	-16.3	-177.9	-64	169	-170.5	171.2	0	112.7	E90 D91 Y92	E90-K94 WeakPolarHBondContact O-CD 3.24Å; E90-K94 WeakPolarHBondContact O-CE 3.3Å; E90-K94 WeakPolarHBondContact O-CG 3.32Å; D91-K94 PolarHBondContact O-N 3.45Å; Y92-K94 PolarHBondContact O-N 3.24Å
95	L	95.1	Very high	95.6	Very high	9 Å²	9	71.3 Å²	71.3	5%	0.047	35%	0.346	C	S	.	.	S	Bend	trans	-65.3	140.2	177.3	-61.9	-177	0	0	0	111	L87 D91 Y92 K93 A99 R100 V103 N164 A166	L87-L95 HydrophobicContact CD2-CD1 4.13Å; D91-L95 PolarHBondContact O-N 3.44Å; Y92-L95 HydrophobicContact CD2-CD1 4.2Å; Y92-L95 WeakPolarHBondContact O-CB 3.5Å; Y92-L95 PolarHBondContact O-N 3.26Å; K93-L95 VanDerWaalsContact C-N 3.32Å; L95-A99 HydrophobicContact CB-CB 3.92Å; L95-A99 HydrophobicContact CD1-CB 4.5Å; L95-A99 HydrophobicContact CD2-CB 4.13Å; L95-A99 HydrophobicContact CG-CB 4.39Å; L95-R100 HydrophobicContact CB-CG 3.8Å; L95-R100 HydrophobicContact CD1-CG 4.46Å; L95-R100 PolarHBondContact O-NE 3.01Å; L95-R100 VanDerWaalsContact O-NE 3.08Å; L95-R100 PolarHBondContact O-NH2 3.37Å; L95-V103 HydrophobicContact CD1-CG2 3.89Å; L95-N164 HydrophobicContact CD2-CB 4.28Å; L95-A166 HydrophobicContact CD1-CB 3.97Å
96	S	94.7	Very high	95.8	Very high	28 Å²	28	70.5 Å²	70.5	20%	0.196	34%	0.339	C	S	.	.			trans	-59.3	161.5	167.8	78.2	0	0	0	0	110.7	R98 A99 R100 D175	S96-R98 PolarHBondContact O-N 3.2Å; S96-R98 PolarHBondContact OG-N 3.31Å; S96-A99 PolarHBondContact O-N 3.47Å; S96-A99 WeakPolarHBondContact OG-CB 3.48Å; S96-A99 PolarHBondContact OG-N 3.39Å; S96-R100 WeakPolarHBondContact O-CG 3.42Å; S96-R100 PolarHBondContact O-N 2.91Å; S96-D175 WeakPolarHBondContact CB-OD2 3.29Å; S96-D175 PolarHBondContact OG-OD2 2.76Å
97	P	95.2	Very high	96.1	Very high	113 Å²	113	71.9 Å²	71.9	73%	0.734	33%	0.332	S	S	*	.	H	α-helix	trans	-53.1	-39.9	171	-26.9	35.9	0	0	0	112.8	R100 E101	P97-R100 PolarHBondContact O-N 3.25Å; P97-E101 PolarHBondContact O-N 2.73Å; P97-E101 VanDerWaalsContact O-N 3.07Å
98	R	94.4	Very high	96.3	Very high	33 Å²	33	72.8 Å²	72.8	13%	0.125	34%	0.339	C	S	.	.	H	α-helix	trans	-65.5	-46.5	178.8	176.6	62.4	-165.6	120.1	10.1	112.1	S96 R100 E101 I102 D119	S96-R98 PolarHBondContact O-N 3.2Å; S96-R98 PolarHBondContact OG-N 3.31Å; R98-R100 VanDerWaalsContact C-N 3.3Å; R98-R100 PolarHBondContact O-N 3.05Å; R98-E101 IonicContact CZ-OE2 2.7Å; R98-E101 IonicContact NH1-OE2 2.85Å; R98-E101 PolarHBondContact NH1-OE2 3.44Å; R98-E101 WeakPolarHBondContact O-CB 3.43Å; R98-E101 PolarHBondContact O-N 3.11Å; R98-E101 VanDerWaalsContact O-N 3.16Å; R98-I102 VanDerWaalsContact CZ-CG1 3.42Å; R98-I102 VanDerWaalsContact NH2-CG1 3.27Å; R98-I102 PolarHBondContact O-N 3.32Å; R98-D119 IonicContact CZ-OD1 3.41Å; R98-D119 IonicContact NH2-OD1 3.74Å; R98-D119 PolarHBondContact NH2-OD1 3.44Å; R98-D119 IonicContact NH2-OD2 2.71Å; R98-D119 PolarHBondContact NH2-OD2 3.47Å
99	A	95.3	Very high	96.4	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.008	31%	0.311	C	S	.	.	H	α-helix	trans	-62.9	-37.4	177.1	0	0	0	0	0	111.5	L95 S96 E101 I102 V103 F167	L95-A99 HydrophobicContact CB-CB 3.92Å; L95-A99 HydrophobicContact CD1-CB 4.5Å; L95-A99 HydrophobicContact CD2-CB 4.13Å; L95-A99 HydrophobicContact CG-CB 4.39Å; S96-A99 PolarHBondContact O-N 3.47Å; S96-A99 WeakPolarHBondContact OG-CB 3.48Å; S96-A99 PolarHBondContact OG-N 3.39Å; A99-E101 VanDerWaalsContact C-N 3.34Å; A99-E101 PolarHBondContact O-N 3.32Å; A99-I102 WeakPolarHBondContact O-CB 3.36Å; A99-I102 PolarHBondContact O-N 2.84Å; A99-V103 WeakPolarHBondContact O-CG2 3.39Å; A99-V103 PolarHBondContact O-N 3.27Å; A99-F167 HydrophobicContact CB-CE1 3.95Å; A99-F167 HydrophobicContact CB-CZ 3.78Å
100	R	96.6	Very high	96.4	Very high	91 Å²	91	58.4 Å²	58.4	34%	0.343	29%	0.285	S	S	.	.	H	α-helix	trans	-63.7	-37.5	173.2	-66.3	178.9	-161	168.1	6.8	112.6	Y92 K93 L95 S96 P97 R98 V103 A104	Y92-R100 HydrophobicContact CD2-CG 4.3Å; Y92-R100 HydrophobicContact CE2-CB 4.11Å; Y92-R100 HydrophobicContact CE2-CG 3.72Å; Y92-R100 PolarHBondContact O-NE 2.9Å; K93-R100 PolarHBondContact O-NH2 2.9Å; L95-R100 HydrophobicContact CB-CG 3.8Å; L95-R100 HydrophobicContact CD1-CG 4.46Å; L95-R100 PolarHBondContact O-NE 3.01Å; L95-R100 VanDerWaalsContact O-NE 3.08Å; L95-R100 PolarHBondContact O-NH2 3.37Å; S96-R100 WeakPolarHBondContact O-CG 3.42Å; S96-R100 PolarHBondContact O-N 2.91Å; P97-R100 PolarHBondContact O-N 3.25Å; R98-R100 VanDerWaalsContact C-N 3.3Å; R98-R100 PolarHBondContact O-N 3.05Å; R100-V103 PolarHBondContact O-N 3.39Å; R100-A104 PolarHBondContact O-N 3.19Å
101	E	96.7	Very high	96.4	Very high	90 Å²	90	59.5 Å²	59.5	42%	0.421	29%	0.288	S	S	.	.	H	α-helix	trans	-64.1	-42.8	173.9	-173.5	-173.2	-155.3	0	0	111.5	P97 R98 A99 V103 A104 L105	P97-E101 PolarHBondContact O-N 2.73Å; P97-E101 VanDerWaalsContact O-N 3.07Å; R98-E101 IonicContact CZ-OE2 2.7Å; R98-E101 IonicContact NH1-OE2 2.85Å; R98-E101 PolarHBondContact NH1-OE2 3.44Å; R98-E101 WeakPolarHBondContact O-CB 3.43Å; R98-E101 PolarHBondContact O-N 3.11Å; R98-E101 VanDerWaalsContact O-N 3.16Å; A99-E101 VanDerWaalsContact C-N 3.34Å; A99-E101 PolarHBondContact O-N 3.32Å; E101-V103 VanDerWaalsContact C-N 3.31Å; E101-V103 PolarHBondContact O-N 2.92Å; E101-A104 PolarHBondContact O-N 3.33Å; E101-L105 HydrophobicContact CG-CD1 4.16Å; E101-L105 WeakPolarHBondContact O-CG 3.44Å; E101-L105 PolarHBondContact O-N 3.33Å
102	I	97	Very high	96.4	Very high	8 Å²	8	63.3 Å²	63.3	4%	0.041	31%	0.305	C	S	.	.	H	α-helix	trans	-57.3	-45.6	173.9	-70	174.5	0	0	0	110.9	R98 A99 L105 H106 Y117 F167	R98-I102 VanDerWaalsContact CZ-CG1 3.42Å; R98-I102 VanDerWaalsContact NH2-CG1 3.27Å; R98-I102 PolarHBondContact O-N 3.32Å; A99-I102 WeakPolarHBondContact O-CB 3.36Å; A99-I102 PolarHBondContact O-N 2.84Å; I102-L105 PolarHBondContact O-N 3.37Å; I102-H106 WeakPolarHBondContact O-CB 3.41Å; I102-H106 PolarHBondContact O-N 2.97Å; I102-Y117 WeakPolarHBondContact CG2-OH 3.48Å; I102-F167 HydrophobicContact CB-CE1 3.83Å; I102-F167 HydrophobicContact CB-CZ 3.99Å; I102-F167 HydrophobicContact CD1-CE1 4.42Å; I102-F167 HydrophobicContact CD1-CE2 4.06Å; I102-F167 HydrophobicContact CD1-CZ 3.69Å; I102-F167 HydrophobicContact CG1-CZ 4.42Å; I102-F167 HydrophobicContact CG2-CD1 3.77Å; I102-F167 HydrophobicContact CG2-CD2 4.42Å; I102-F167 HydrophobicContact CG2-CE1 3.54Å; I102-F167 HydrophobicContact CG2-CE2 4.22Å; I102-F167 HydrophobicContact CG2-CG 4.22Å; I102-F167 HydrophobicContact CG2-CZ 3.79Å
103	V	97.2	Very high	96.4	Very high	21 Å²	21	61.8 Å²	61.8	13%	0.127	30%	0.301	C	S	.	.	H	α-helix	trans	-61	-45.6	176.8	171.4	0	0	0	0	111.1	L87 L95 A99 R100 E101 L105 H106 W107 A166 F167	L87-V103 HydrophobicContact CD2-CG1 4.16Å; L87-V103 HydrophobicContact CD2-CG2 4.42Å; L95-V103 HydrophobicContact CD1-CG2 3.89Å; A99-V103 WeakPolarHBondContact O-CG2 3.39Å; A99-V103 PolarHBondContact O-N 3.27Å; R100-V103 PolarHBondContact O-N 3.39Å; E101-V103 VanDerWaalsContact C-N 3.31Å; E101-V103 PolarHBondContact O-N 2.92Å; V103-L105 PolarHBondContact O-N 3.04Å; V103-H106 PolarHBondContact O-N 3.35Å; V103-W107 WeakPolarHBondContact O-CB 3.14Å; V103-W107 PolarHBondContact O-N 3.02Å; V103-A166 HydrophobicContact CG2-CB 3.57Å; V103-F167 HydrophobicContact CG2-CD1 4.08Å; V103-F167 HydrophobicContact CG2-CE1 4.13Å
104	A	97.3	Very high	96.3	Very high	50 Å²	50	61.4 Å²	61.4	41%	0.413	30%	0.299	S	S	.	.	H	α-helix	trans	-63.1	-41.7	179	0	0	0	0	0	112.5	R100 E101 T108	R100-A104 PolarHBondContact O-N 3.19Å; E101-A104 PolarHBondContact O-N 3.33Å; A104-T108 VanDerWaalsContact O-CB 3.27Å; A104-T108 WeakPolarHBondContact O-CB 3.47Å; A104-T108 PolarHBondContact O-N 3Å; A104-T108 PolarHBondContact O-OG1 2.86Å
105	L	98.1	Very high	96.3	Very high	52 Å²	52	56.9 Å²	56.9	27%	0.272	28%	0.282	S	S	.	.	H	α-helix	trans	-65.6	-44.2	176.6	-71.9	168.1	0	0	0	112	E101 I102 V103 T108 S109 Y117 P120	E101-L105 HydrophobicContact CG-CD1 4.16Å; E101-L105 WeakPolarHBondContact O-CG 3.44Å; E101-L105 PolarHBondContact O-N 3.33Å; I102-L105 PolarHBondContact O-N 3.37Å; V103-L105 PolarHBondContact O-N 3.04Å; L105-T108 PolarHBondContact O-N 3.1Å; L105-S109 VanDerWaalsContact O-CB 3.29Å; L105-S109 WeakPolarHBondContact O-CB 3.39Å; L105-S109 PolarHBondContact O-N 3.37Å; L105-Y117 HydrophobicContact CB-CD2 3.62Å; L105-Y117 HydrophobicContact CB-CE2 3.89Å; L105-Y117 HydrophobicContact CB-CG 4.15Å; L105-Y117 HydrophobicContact CD1-CD2 4.16Å; L105-Y117 HydrophobicContact CD1-CE2 4.29Å; L105-Y117 HydrophobicContact CG-CD2 4.44Å; L105-P120 VanDerWaalsContact CD1-CD 3.46Å; L105-P120 HydrophobicContact CD1-CG 4.01Å
106	H	98	Very high	96.4	Very high	12 Å²	12	59.2 Å²	59.2	6%	0.056	30%	0.297	C	S	.	.	H	α-helix	trans	-58	-51.9	174.7	174.2	82	0	0	0	111.2	C85 I102 V103 T108 S109 V110 Y117 V129 H145	C85-H106 PolarHBondContact SG-NE2 3.34Å; I102-H106 WeakPolarHBondContact O-CB 3.41Å; I102-H106 PolarHBondContact O-N 2.97Å; V103-H106 PolarHBondContact O-N 3.35Å; H106-T108 PolarHBondContact O-N 3.24Å; H106-S109 WeakPolarHBondContact O-CB 3.42Å; H106-S109 PolarHBondContact O-N 3.11Å; H106-V110 WeakPolarHBondContact O-CG2 3.36Å; H106-V110 PolarHBondContact O-N 3.15Å; H106-Y117 HydrophobicContact CB-CE1 4.07Å; H106-V129 PolarHBondContact CE1-N 3.46Å; H106-V129 VanDerWaalsContact CE1-N 3.33Å; H106-H145 AromaticContact CE1-CD2 3.82Å; H106-H145 AromaticContact CE1-CG 3.41Å; H106-H145 VanDerWaalsContact CE1-CG 3.41Å; H106-H145 AromaticContact CE1-ND1 3.57Å; H106-H145 AromaticContact CG-CE1 3.55Å; H106-H145 AromaticContact CG-ND1 3.83Å; H106-H145 AromaticContact CG-NE2 3.68Å; H106-H145 AromaticContact ND1-CD2 3.21Å; H106-H145 PolarHBondContact ND1-CD2 3.48Å; H106-H145 AromaticContact ND1-CE1 3.44Å; H106-H145 PolarHBondContact ND1-CE1 2.92Å; H106-H145 AromaticContact ND1-CG 3.27Å; H106-H145 VanDerWaalsContact ND1-CG 3.27Å; H106-H145 AromaticContact ND1-ND1 3.43Å; H106-H145 PolarHBondContact ND1-ND1 3.41Å; H106-H145 AromaticContact ND1-NE2 3.31Å; H106-H145 PolarHBondContact ND1-NE2 3.08Å
107	W	97.4	Very high	96.5	Very high	141 Å²	141	58.7 Å²	58.7	53%	0.534	29%	0.291	S	S	.	.	H	α-helix	trans	-61.9	-45.2	-179.9	-173.7	8.6	0	0	0	111.6	V103 S109 V110 K111	V103-W107 WeakPolarHBondContact O-CB 3.14Å; V103-W107 PolarHBondContact O-N 3.02Å; W107-S109 VanDerWaalsContact C-N 3.31Å; W107-S109 PolarHBondContact O-N 2.83Å; W107-V110 PolarHBondContact O-N 3.24Å; W107-K111 VanDerWaalsContact O-CB 3.29Å; W107-K111 WeakPolarHBondContact O-CB 3.12Å; W107-K111 PolarHBondContact O-N 3.43Å
108	T	97.5	Very high	96.7	Very high	68 Å²	68	57.6 Å²	57.6	42%	0.417	28%	0.278	S	S	.	.	H	α-helix	trans	-60.1	-42.5	177.4	-60	0	0	0	0	111.3	A104 L105 H106 K111 Q112	A104-T108 VanDerWaalsContact O-CB 3.27Å; A104-T108 WeakPolarHBondContact O-CB 3.47Å; A104-T108 PolarHBondContact O-N 3Å; A104-T108 PolarHBondContact O-OG1 2.86Å; L105-T108 PolarHBondContact O-N 3.1Å; H106-T108 PolarHBondContact O-N 3.24Å; T108-K111 PolarHBondContact O-N 3.49Å; T108-Q112 HydrophobicContact CG2-CG 4.33Å; T108-Q112 VanDerWaalsContact O-CB 3.3Å; T108-Q112 WeakPolarHBondContact O-CB 3.35Å; T108-Q112 VanDerWaalsContact O-CG 3.24Å; T108-Q112 WeakPolarHBondContact O-CG 3.26Å; T108-Q112 PolarHBondContact O-N 2.84Å
109	S	97.5	Very high	96.7	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-59.4	-48.9	176.5	179.5	0	0	0	0	111.7	L105 H106 W107 Q112 H113 K114 T116 N128	L105-S109 VanDerWaalsContact O-CB 3.29Å; L105-S109 WeakPolarHBondContact O-CB 3.39Å; L105-S109 PolarHBondContact O-N 3.37Å; H106-S109 WeakPolarHBondContact O-CB 3.42Å; H106-S109 PolarHBondContact O-N 3.11Å; W107-S109 VanDerWaalsContact C-N 3.31Å; W107-S109 PolarHBondContact O-N 2.83Å; S109-Q112 PolarHBondContact O-N 3.41Å; S109-H113 PolarHBondContact O-N 3.33Å; S109-K114 WeakPolarHBondContact O-CB 3.21Å; S109-K114 PolarHBondContact O-N 3.34Å; S109-K114 WeakPolarHBondContact OG-CB 3.33Å; S109-T116 PolarHBondContact OG-O 3.13Å; S109-N128 PolarHBondContact OG-ND2 2.65Å
110	V	97.2	Very high	96.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.9	-45.4	178.3	176.8	0	0	0	0	111.4	W78 A81 M82 H106 W107 Q112 H113 N128 V129	W78-V110 PolarHBondContact NE1-O 2.91Å; A81-V110 HydrophobicContact CB-CG1 3.74Å; M82-V110 HydrophobicContact CG-CG1 4.09Å; M82-V110 HydrophobicContact SD-CB 4.45Å; M82-V110 HydrophobicContact SD-CG1 3.77Å; H106-V110 WeakPolarHBondContact O-CG2 3.36Å; H106-V110 PolarHBondContact O-N 3.15Å; W107-V110 PolarHBondContact O-N 3.24Å; V110-Q112 PolarHBondContact O-N 3.4Å; V110-H113 PolarHBondContact O-N 2.83Å; V110-N128 HydrophobicContact CG2-CB 4.07Å; V110-V129 HydrophobicContact CG2-CG1 4.02Å
111	K	96.1	Very high	96.5	Very high	136 Å²	136	61.1 Å²	61.1	59%	0.591	30%	0.297	S	S	*	.	H	α-helix	trans	-58.6	-36.6	177.6	-173.8	177.6	179.4	180	0	112	W107 T108 H113	W107-K111 VanDerWaalsContact O-CB 3.29Å; W107-K111 WeakPolarHBondContact O-CB 3.12Å; W107-K111 PolarHBondContact O-N 3.43Å; T108-K111 PolarHBondContact O-N 3.49Å; K111-H113 VanDerWaalsContact C-N 3.27Å; K111-H113 PolarHBondContact O-N 3.27Å
112	Q	95.7	Very high	96.2	Very high	102 Å²	102	58.9 Å²	58.9	48%	0.477	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	12	178.1	-68.1	178.6	-7.7	0	0	113.9	T108 S109 V110 K114	T108-Q112 HydrophobicContact CG2-CG 4.33Å; T108-Q112 VanDerWaalsContact O-CB 3.3Å; T108-Q112 WeakPolarHBondContact O-CB 3.35Å; T108-Q112 VanDerWaalsContact O-CG 3.24Å; T108-Q112 WeakPolarHBondContact O-CG 3.26Å; T108-Q112 PolarHBondContact O-N 2.84Å; S109-Q112 PolarHBondContact O-N 3.41Å; V110-Q112 PolarHBondContact O-N 3.4Å; Q112-K114 HydrophobicContact CB-CD 4.33Å; Q112-K114 HydrophobicContact CB-CG 4.27Å; Q112-K114 PolarHBondContact O-N 3.49Å; Q112-K114 VanDerWaalsContact O-N 3.16Å
113	H	94.8	Very high	96.2	Very high	57 Å²	57	65.2 Å²	65.2	26%	0.264	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	21.2	-177.7	-55.9	-104.4	0	0	0	114.5	L73 W78 S109 V110 K111	L73-H113 WeakPolarHBondContact CB-ND1 3.5Å; L73-H113 HydrophobicContact CD1-CB 4.31Å; L73-H113 HydrophobicContact CG-CB 4.19Å; L73-H113 PolarHBondContact N-ND1 2.92Å; L73-H113 PolarHBondContact O-ND1 3.26Å; W78-H113 AromaticContact CD1-CE1 3.53Å; W78-H113 AromaticContact CD1-ND1 3.77Å; W78-H113 AromaticContact CD1-NE2 3.87Å; W78-H113 AromaticContact CG-CE1 3.86Å; S109-H113 PolarHBondContact O-N 3.33Å; V110-H113 PolarHBondContact O-N 2.83Å; K111-H113 VanDerWaalsContact C-N 3.27Å; K111-H113 PolarHBondContact O-N 3.27Å
114	K	95.1	Very high	96	Very high	110 Å²	110	71.9 Å²	71.9	48%	0.478	34%	0.341	S	S	.	.			trans	-79.2	162.6	174	-65.7	174.8	175.9	165.4	0	110.2	S109 Q112 N128	S109-K114 WeakPolarHBondContact O-CB 3.21Å; S109-K114 PolarHBondContact O-N 3.34Å; S109-K114 WeakPolarHBondContact OG-CB 3.33Å; Q112-K114 HydrophobicContact CB-CD 4.33Å; Q112-K114 HydrophobicContact CB-CG 4.27Å; Q112-K114 PolarHBondContact O-N 3.49Å; Q112-K114 VanDerWaalsContact O-N 3.16Å; K114-N128 PolarHBondContact O-ND2 3.1Å
115	L	95.5	Very high	96	Very high	70 Å²	70	76.1 Å²	76.1	37%	0.366	35%	0.352	S	S	.	.	S	Bend	trans	-104.3	-18.9	176.8	-62.5	-174.9	0	0	0	113.1	N128 T130 S131 L134	L115-N128 PolarHBondContact O-N 3.37Å; L115-N128 PolarHBondContact O-OD1 3.01Å; L115-N128 VanDerWaalsContact O-OD1 3.11Å; L115-T130 HydrophobicContact CD2-CG2 3.69Å; L115-S131 WeakPolarHBondContact O-CB 3.37Å; L115-L134 HydrophobicContact CD2-CD1 3.77Å
116	T	97.2	Very high	95.9	Very high	57 Å²	57	74.3 Å²	74.3	35%	0.35	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	166.6	-178.2	60.7	0	0	0	0	110.9	S109 V126 M127	S109-T116 PolarHBondContact OG-O 3.13Å; T116-V126 CarbonylContact C-O 3.54Å; T116-V126 WeakPolarHBondContact CA-O 3.41Å; T116-V126 WeakPolarHBondContact CB-O 3.33Å; T116-M127 HydrophobicContact CG2-CG 4.37Å
117	Y	97.8	Very high	95.9	Very high	17 Å²	17	77 Å²	77	7%	0.067	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	162.7	163.9	66.7	-84.4	0	0	0	109.3	I102 L105 H106 V126 H145	I102-Y117 WeakPolarHBondContact CG2-OH 3.48Å; L105-Y117 HydrophobicContact CB-CD2 3.62Å; L105-Y117 HydrophobicContact CB-CE2 3.89Å; L105-Y117 HydrophobicContact CB-CG 4.15Å; L105-Y117 HydrophobicContact CD1-CD2 4.16Å; L105-Y117 HydrophobicContact CD1-CE2 4.29Å; L105-Y117 HydrophobicContact CG-CD2 4.44Å; H106-Y117 HydrophobicContact CB-CE1 4.07Å; Y117-V126 HydrophobicContact CD1-CB 4.26Å; Y117-V126 HydrophobicContact CE1-CB 3.76Å; Y117-V126 HydrophobicContact CE1-CG1 3.71Å; Y117-V126 HydrophobicContact CE2-CB 4.1Å; Y117-V126 HydrophobicContact CE2-CG2 4.3Å; Y117-V126 PolarHBondContact N-O 2.85Å; Y117-V126 PolarHBondContact O-N 3.29Å; Y117-H145 AromaticContact CE1-CD2 3.91Å; Y117-H145 AromaticContact CE1-NE2 3.64Å; Y117-H145 AromaticContact CZ-NE2 3.7Å; Y117-H145 PolarHBondContact OH-NE2 3.43Å
118	I	97.7	Very high	95.9	Very high	90 Å²	90	70.2 Å²	70.2	46%	0.462	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	127.1	175.3	-60.8	-173.7	0	0	0	108.8	P120 Y124	I118-P120 WeakPolarHBondContact O-CD 3.28Å; I118-Y124 WeakPolarHBondContact CA-O 3.17Å
119	D	96	Very high	95.9	Very high	2 Å²	2	67.2 Å²	67.2	1%	0.011	31%	0.312	C	S	.	.			trans	-69.1	118.4	168.3	-177.2	-46.5	0	0	0	109.3	R98 R121 T122 K123 Y124 V126 R144	R98-D119 IonicContact CZ-OD1 3.41Å; R98-D119 IonicContact NH2-OD1 3.74Å; R98-D119 PolarHBondContact NH2-OD1 3.44Å; R98-D119 IonicContact NH2-OD2 2.71Å; R98-D119 PolarHBondContact NH2-OD2 3.47Å; D119-R121 PolarHBondContact O-N 3.18Å; D119-R121 WeakPolarHBondContact OD1-CA 3.45Å; D119-R121 WeakPolarHBondContact OD1-CB 3.27Å; D119-R121 PolarHBondContact OD1-N 2.99Å; D119-T122 VanDerWaalsContact CB-OG1 3.26Å; D119-T122 WeakPolarHBondContact CB-OG1 3.46Å; D119-T122 PolarHBondContact OD1-N 3.08Å; D119-K123 WeakPolarHBondContact O-CA 3.37Å; D119-K123 PolarHBondContact O-N 2.76Å; D119-Y124 PolarHBondContact N-O 3.12Å; D119-V126 HydrophobicContact CB-CG2 4.06Å; D119-R144 IonicContact OD2-CZ 2.74Å; D119-R144 IonicContact OD2-NH1 2.75Å; D119-R144 PolarHBondContact OD2-NH1 3.47Å; D119-R144 IonicContact OD2-NH2 3.46Å; D119-R144 PolarHBondContact OD2-NH2 2.89Å
120	P	94.1	Very high	95.9	Very high	45 Å²	45	67 Å²	67	29%	0.292	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-24.3	-175.1	25.1	-34.6	0	0	0	113.5	L105 I118 K123	L105-P120 VanDerWaalsContact CD1-CD 3.46Å; L105-P120 HydrophobicContact CD1-CG 4.01Å; I118-P120 WeakPolarHBondContact O-CD 3.28Å; P120-K123 VanDerWaalsContact O-CE 3.22Å; P120-K123 WeakPolarHBondContact O-CE 3.33Å; P120-K123 PolarHBondContact O-NZ 3.16Å
121	R	91.8	Very high	95.9	Very high	152 Å²	152	68.3 Å²	68.3	57%	0.574	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-53.9	-179.7	-175.7	178.8	178.9	-173.8	1.8	111	D119 D175	D119-R121 PolarHBondContact O-N 3.18Å; D119-R121 WeakPolarHBondContact OD1-CA 3.45Å; D119-R121 WeakPolarHBondContact OD1-CB 3.27Å; D119-R121 PolarHBondContact OD1-N 2.99Å; R121-D175 IonicContact NH1-OD1 3.83Å
122	T	92.2	Very high	95.9	Very high	43 Å²	43	62.2 Å²	62.2	26%	0.264	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-14.5	-175.5	68.7	0	0	0	0	113.6	D119 Y124	D119-T122 VanDerWaalsContact CB-OG1 3.26Å; D119-T122 WeakPolarHBondContact CB-OG1 3.46Å; D119-T122 PolarHBondContact OD1-N 3.08Å; T122-Y124 HydrophobicContact CG2-CD2 4.39Å; T122-Y124 HydrophobicContact CG2-CE2 4.47Å; T122-Y124 WeakPolarHBondContact O-CD1 3.37Å; T122-Y124 PolarHBondContact O-N 3.07Å; T122-Y124 WeakPolarHBondContact OG1-CB 3.39Å; T122-Y124 WeakPolarHBondContact OG1-CD2 3.34Å; T122-Y124 PolarHBondContact OG1-N 3.47Å
123	K	95.1	Very high	96	Very high	141 Å²	141	57.3 Å²	57.3	61%	0.613	27%	0.271	S	S	*	.			trans	60.9	13.2	-172.2	-50.6	-54.4	-173.2	-171.7	0	114.3	D119 P120	D119-K123 WeakPolarHBondContact O-CA 3.37Å; D119-K123 PolarHBondContact O-N 2.76Å; P120-K123 VanDerWaalsContact O-CE 3.22Å; P120-K123 WeakPolarHBondContact O-CE 3.33Å; P120-K123 PolarHBondContact O-NZ 3.16Å
124	Y	94.6	Very high	96.1	Very high	162 Å²	162	55.6 Å²	55.6	64%	0.635	26%	0.263	S	S	*	.			trans	-74.3	143.5	178.2	-63.3	-20.2	0	0	0	111.9	I118 D119 T122 V126	I118-Y124 WeakPolarHBondContact CA-O 3.17Å; D119-Y124 PolarHBondContact N-O 3.12Å; T122-Y124 HydrophobicContact CG2-CD2 4.39Å; T122-Y124 HydrophobicContact CG2-CE2 4.47Å; T122-Y124 WeakPolarHBondContact O-CD1 3.37Å; T122-Y124 PolarHBondContact O-N 3.07Å; T122-Y124 WeakPolarHBondContact OG1-CB 3.39Å; T122-Y124 WeakPolarHBondContact OG1-CD2 3.34Å; T122-Y124 PolarHBondContact OG1-N 3.47Å; Y124-V126 PolarHBondContact O-N 3.42Å
125	H	95.9	Very high	96.1	Very high	138 Å²	138	54 Å²	54	64%	0.639	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	105.7	164.8	-70.5	-95.3	0	0	0	108.7
126	V	97.4	Very high	96.1	Very high	15 Å²	15	52.7 Å²	52.7	9%	0.091	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	121.6	-179.4	-176.2	0	0	0	0	108.9	T116 Y117 D119 Y124 N128 R144	T116-V126 CarbonylContact C-O 3.54Å; T116-V126 WeakPolarHBondContact CA-O 3.41Å; T116-V126 WeakPolarHBondContact CB-O 3.33Å; Y117-V126 HydrophobicContact CD1-CB 4.26Å; Y117-V126 HydrophobicContact CE1-CB 3.76Å; Y117-V126 HydrophobicContact CE1-CG1 3.71Å; Y117-V126 HydrophobicContact CE2-CB 4.1Å; Y117-V126 HydrophobicContact CE2-CG2 4.3Å; Y117-V126 PolarHBondContact N-O 2.85Å; Y117-V126 PolarHBondContact O-N 3.29Å; D119-V126 HydrophobicContact CB-CG2 4.06Å; Y124-V126 PolarHBondContact O-N 3.42Å; V126-N128 PolarHBondContact O-N 2.99Å; V126-R144 HydrophobicContact CG1-CB 4.12Å
127	M	97.5	Very high	96.1	Very high	67 Å²	67	52.5 Å²	52.5	33%	0.33	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	127.1	168.9	-67.5	-179.1	-71.1	0	0	109.5	T116 L132 C143	T116-M127 HydrophobicContact CG2-CG 4.37Å; M127-L132 HydrophobicContact CB-CD2 4.29Å; M127-L132 HydrophobicContact CB-CG 4.26Å; M127-L132 HydrophobicContact CE-CD2 3.92Å; M127-L132 HydrophobicContact SD-CD2 4.08Å; M127-C143 WeakPolarHBondContact CE-SG 3.29Å
128	N	97.3	Very high	96.1	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.263	C	S	.	.			trans	-81.4	-179.8	171	72.7	20.8	0	0	0	110.4	S109 V110 K114 L115 V126 T130 S131 L132	S109-N128 PolarHBondContact OG-ND2 2.65Å; V110-N128 HydrophobicContact CG2-CB 4.07Å; K114-N128 PolarHBondContact O-ND2 3.1Å; L115-N128 PolarHBondContact O-N 3.37Å; L115-N128 PolarHBondContact O-OD1 3.01Å; L115-N128 VanDerWaalsContact O-OD1 3.11Å; V126-N128 PolarHBondContact O-N 2.99Å; N128-T130 VanDerWaalsContact C-N 3.29Å; N128-T130 PolarHBondContact O-N 3.48Å; N128-T130 WeakPolarHBondContact OD1-CA 3.17Å; N128-T130 WeakPolarHBondContact OD1-CB 3.45Å; N128-T130 PolarHBondContact OD1-N 3.42Å; N128-S131 PolarHBondContact O-N 3.35Å; N128-S131 PolarHBondContact OD1-N 3.22Å; N128-S131 VanDerWaalsContact OD1-N 3.15Å; N128-L132 WeakPolarHBondContact O-CG 3.44Å; N128-L132 PolarHBondContact O-N 3.27Å
129	V	97.6	Very high	96	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.024	26%	0.257	C	S	.	.	H	α-helix	trans	-66.8	-32.4	-175.7	70.2	0	0	0	0	112.1	A81 R84 H106 V110 S131 L132 L133 P147	A81-V129 HydrophobicContact CB-CG1 4.19Å; A81-V129 WeakPolarHBondContact O-CG1 3.17Å; R84-V129 HydrophobicContact CB-CG1 4.38Å; R84-V129 HydrophobicContact CB-CG2 3.6Å; R84-V129 HydrophobicContact CG-CG2 4.31Å; H106-V129 PolarHBondContact CE1-N 3.46Å; H106-V129 VanDerWaalsContact CE1-N 3.33Å; V110-V129 HydrophobicContact CG2-CG1 4.02Å; V129-S131 PolarHBondContact O-N 2.94Å; V129-L132 PolarHBondContact O-N 2.96Å; V129-L133 HydrophobicContact CG2-CD1 4.04Å; V129-L133 HydrophobicContact CG2-CG 4.18Å; V129-L133 WeakPolarHBondContact O-CB 3.45Å; V129-L133 VanDerWaalsContact O-CG 3.3Å; V129-L133 WeakPolarHBondContact O-CG 3.33Å; V129-L133 PolarHBondContact O-N 3.38Å; V129-P147 HydrophobicContact CG2-CB 3.8Å; V129-P147 HydrophobicContact CG2-CG 4.08Å
130	T	97.4	Very high	96	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.4	-48.6	176.1	-51.3	0	0	0	0	111.4	L73 M77 A81 L115 N128 L132 L133 L134	L73-T130 HydrophobicContact CD1-CG2 3.35Å; L73-T130 HydrophobicContact CD2-CG2 3.54Å; L73-T130 HydrophobicContact CG-CG2 4.05Å; M77-T130 HydrophobicContact CE-CG2 3.96Å; A81-T130 VanDerWaalsContact CB-OG1 3.28Å; A81-T130 WeakPolarHBondContact CB-OG1 3.45Å; L115-T130 HydrophobicContact CD2-CG2 3.69Å; N128-T130 VanDerWaalsContact C-N 3.29Å; N128-T130 PolarHBondContact O-N 3.48Å; N128-T130 WeakPolarHBondContact OD1-CA 3.17Å; N128-T130 WeakPolarHBondContact OD1-CB 3.45Å; N128-T130 PolarHBondContact OD1-N 3.42Å; T130-L132 VanDerWaalsContact C-N 3.26Å; T130-L132 PolarHBondContact O-N 3.42Å; T130-L133 PolarHBondContact O-N 2.92Å; T130-L134 HydrophobicContact CG2-CD1 4.08Å; T130-L134 HydrophobicContact CG2-CG 4.44Å; T130-L134 WeakPolarHBondContact O-CB 3.38Å; T130-L134 WeakPolarHBondContact O-CG 3.34Å; T130-L134 PolarHBondContact O-N 3.31Å
131	S	96.6	Very high	96.1	Very high	27 Å²	27	58.5 Å²	58.5	19%	0.189	29%	0.289	C	S	.	.	H	α-helix	trans	-59.9	-39.4	179.7	179.4	0	0	0	0	111.8	L115 N128 V129 L134 N135	L115-S131 WeakPolarHBondContact O-CB 3.37Å; N128-S131 PolarHBondContact O-N 3.35Å; N128-S131 PolarHBondContact OD1-N 3.22Å; N128-S131 VanDerWaalsContact OD1-N 3.15Å; V129-S131 PolarHBondContact O-N 2.94Å; S131-L134 PolarHBondContact O-N 2.91Å; S131-N135 PolarHBondContact O-N 3.21Å; S131-N135 VanDerWaalsContact O-N 3.1Å
132	L	97.3	Very high	96.3	Very high	7 Å²	7	52.1 Å²	52.1	4%	0.037	27%	0.271	C	S	.	.	H	α-helix	trans	-75.6	-36.1	-178.9	-61.1	169.3	0	0	0	112	M127 N128 V129 T130 N135 G136 C143 H145 P147 Y148	M127-L132 HydrophobicContact CB-CD2 4.29Å; M127-L132 HydrophobicContact CB-CG 4.26Å; M127-L132 HydrophobicContact CE-CD2 3.92Å; M127-L132 HydrophobicContact SD-CD2 4.08Å; N128-L132 WeakPolarHBondContact O-CG 3.44Å; N128-L132 PolarHBondContact O-N 3.27Å; V129-L132 PolarHBondContact O-N 2.96Å; T130-L132 VanDerWaalsContact C-N 3.26Å; T130-L132 PolarHBondContact O-N 3.42Å; L132-N135 WeakPolarHBondContact O-CB 2.92Å; L132-N135 PolarHBondContact O-N 3.4Å; L132-G136 PolarHBondContact O-N 3.07Å; L132-C143 HydrophobicContact CD1-CB 3.78Å; L132-C143 HydrophobicContact CD2-CB 4.05Å; L132-H145 HydrophobicContact CD1-CB 4.4Å; L132-H145 WeakPolarHBondContact CD1-O 3.25Å; L132-P147 HydrophobicContact CB-CG 4.1Å; L132-Y148 WeakPolarHBondContact O-CE2 3.43Å; L132-Y148 PolarHBondContact O-OH 2.92Å
133	L	97.5	Very high	96.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.3	-44.2	170.5	-73.8	167.3	0	0	0	111.1	V54 M77 L80 A81 R84 V129 T130 N135 G136 P147 Y148	V54-L133 WeakPolarHBondContact CG2-O 3.39Å; M77-L133 HydrophobicContact CE-CB 3.55Å; M77-L133 HydrophobicContact CE-CD1 3.83Å; M77-L133 HydrophobicContact CE-CG 4.36Å; L80-L133 HydrophobicContact CD2-CD1 4.36Å; L80-L133 HydrophobicContact CD2-CD2 4.45Å; L80-L133 HydrophobicContact CG-CD1 4.04Å; A81-L133 HydrophobicContact CB-CD1 4.19Å; R84-L133 HydrophobicContact CG-CD1 4.19Å; V129-L133 HydrophobicContact CG2-CD1 4.04Å; V129-L133 HydrophobicContact CG2-CG 4.18Å; V129-L133 WeakPolarHBondContact O-CB 3.45Å; V129-L133 VanDerWaalsContact O-CG 3.3Å; V129-L133 WeakPolarHBondContact O-CG 3.33Å; V129-L133 PolarHBondContact O-N 3.38Å; T130-L133 PolarHBondContact O-N 2.92Å; L133-N135 PolarHBondContact O-N 2.92Å; L133-G136 WeakPolarHBondContact O-CA 3.38Å; L133-G136 PolarHBondContact O-N 2.77Å; L133-P147 HydrophobicContact CD2-CB 4.02Å; L133-P147 HydrophobicContact CD2-CG 3.93Å; L133-P147 HydrophobicContact CG-CB 4.38Å; L133-P147 HydrophobicContact CG-CG 4.06Å; L133-Y148 WeakPolarHBondContact CA-OH 3.37Å; L133-Y148 PolarHBondContact O-OH 2.86Å
134	L	96.8	Very high	96.6	Very high	21 Å²	21	46 Å²	46	11%	0.11	24%	0.241	C	C	.	.	H	α-helix	trans	-62.6	-23.5	174.8	-75.2	173.2	0	0	0	112.5	A57 R58 I61 L73 M77 L115 T130 S131 G136	A57-L134 HydrophobicContact CB-CD2 3.87Å; R58-L134 HydrophobicContact CG-CD2 4.22Å; R58-L134 PolarHBondContact NE-O 3.44Å; R58-L134 PolarHBondContact NH2-O 3.43Å; I61-L134 HydrophobicContact CD1-CD1 3.74Å; I61-L134 HydrophobicContact CD1-CD2 3.98Å; L73-L134 HydrophobicContact CD2-CD1 4.21Å; M77-L134 HydrophobicContact CE-CG 4.28Å; M77-L134 HydrophobicContact CG-CD2 4.37Å; M77-L134 HydrophobicContact SD-CD2 4.05Å; M77-L134 HydrophobicContact SD-CG 4.46Å; L115-L134 HydrophobicContact CD2-CD1 3.77Å; T130-L134 HydrophobicContact CG2-CD1 4.08Å; T130-L134 HydrophobicContact CG2-CG 4.44Å; T130-L134 WeakPolarHBondContact O-CB 3.38Å; T130-L134 WeakPolarHBondContact O-CG 3.34Å; T130-L134 PolarHBondContact O-N 3.31Å; S131-L134 PolarHBondContact O-N 2.91Å; L134-G136 VanDerWaalsContact C-N 3.3Å
135	N	95.4	Very high	96.7	Very high	77 Å²	77	38.7 Å²	38.7	41%	0.412	21%	0.213	S	C	.	.	H	α-helix	trans	-68.9	-28.6	170.6	-170.8	65	0	0	0	112.4	R58 S131 L132 L133 S137	R58-N135 PolarHBondContact NH2-O 2.99Å; S131-N135 PolarHBondContact O-N 3.21Å; S131-N135 VanDerWaalsContact O-N 3.1Å; L132-N135 WeakPolarHBondContact O-CB 2.92Å; L132-N135 PolarHBondContact O-N 3.4Å; L133-N135 PolarHBondContact O-N 2.92Å; N135-S137 VanDerWaalsContact C-N 3.27Å; N135-S137 PolarHBondContact ND2-O 2.95Å; N135-S137 PolarHBondContact O-N 2.99Å
136	G	95.2	Very high	96.7	Very high	42 Å²	42	32.6 Å²	32.6	43%	0.433	19%	0.186	S	C	.	.			trans	82.1	-9.5	177.4	0	0	0	0	0	115.6	L132 L133 L134 Y148	L132-G136 PolarHBondContact O-N 3.07Å; L133-G136 WeakPolarHBondContact O-CA 3.38Å; L133-G136 PolarHBondContact O-N 2.77Å; L134-G136 VanDerWaalsContact C-N 3.3Å; G136-Y148 WeakPolarHBondContact CA-OH 3.42Å
137	S	96.1	Very high	96.7	Very high	53 Å²	53	33.2 Å²	33.2	37%	0.371	19%	0.19	S	C	.	.	S	Bend	trans	-155.3	167.7	176.8	64.1	0	0	0	0	112	N135 C139 Y148	N135-S137 VanDerWaalsContact C-N 3.27Å; N135-S137 PolarHBondContact ND2-O 2.95Å; N135-S137 PolarHBondContact O-N 2.99Å; S137-C139 PolarHBondContact O-N 3.34Å; S137-Y148 PolarHBondContact N-OH 3.03Å; S137-Y148 VanDerWaalsContact O-CE2 3.28Å; S137-Y148 WeakPolarHBondContact O-CE2 3.44Å
138	C	97.4	Very high	96.6	Very high	7 Å²	7	32.1 Å²	32.1	5%	0.047	18%	0.183	C	C	.	.			trans	-67.2	126.6	172.2	-172.9	0	0	0	0	111.5	G140 Y148 E151 N152	C138-G140 VanDerWaalsContact C-N 3.29Å; C138-G140 PolarHBondContact O-N 2.9Å; C138-Y148 HydrophobicContact CB-CD2 4.15Å; C138-Y148 HydrophobicContact CB-CG 4.35Å; C138-Y148 VanDerWaalsContact N-CD2 3.31Å; C138-E151 HydrophobicContact CB-CG 3.3Å; C138-E151 WeakPolarHBondContact CB-OE1 3.41Å; C138-E151 PolarHBondContact N-OE1 3.28Å; C138-N152 HydrophobicContact CB-CB 3.87Å; C138-N152 WeakPolarHBondContact O-CB 3.21Å; C138-N152 PolarHBondContact O-ND2 3.28Å
139	C	96.4	Very high	96.5	Very high	49 Å²	49	34.3 Å²	34.3	33%	0.331	21%	0.205	S	C	.	.			trans	-80.9	-4.8	178.6	68.2	0	0	0	0	114.5	S137 R141 C143	S137-C139 PolarHBondContact O-N 3.34Å; C139-R141 VanDerWaalsContact C-N 3.31Å; C139-R141 PolarHBondContact O-N 3.03Å; C139-C143 PolarHBondContact SG-SG 3.28Å
140	G	96.5	Very high	96.5	Very high	20 Å²	20	34.3 Å²	34.3	21%	0.206	21%	0.205	C	C	.	.	S	Bend	trans	76.8	3.7	177.7	0	0	0	0	0	116.8	C138 N152	C138-G140 VanDerWaalsContact C-N 3.29Å; C138-G140 PolarHBondContact O-N 2.9Å; G140-N152 WeakPolarHBondContact CA-O 3.47Å
141	R	95.8	Very high	96.5	Very high	203 Å²	203	39 Å²	39	77%	0.766	23%	0.227	S	C	*	.	S	Bend	trans	-90.9	5	-173.3	-59.9	177	-177.3	-98	0.1	115.4	C139	C139-R141 VanDerWaalsContact C-N 3.31Å; C139-R141 PolarHBondContact O-N 3.03Å
142	G	95.8	Very high	96.6	Very high	18 Å²	18	42.3 Å²	42.3	19%	0.186	24%	0.242	C	C	.	.			trans	69.9	37.2	-177.1	0	0	0	0	0	114.1	R144	G142-R144 PolarHBondContact O-N 3.18Å
143	C	96.6	Very high	96.6	Very high	17 Å²	17	42.4 Å²	42.4	12%	0.115	24%	0.244	C	C	.	.			trans	-61	137.9	-177.9	-56.1	0	0	0	0	111.8	M127 L132 C139 H145 C146 H150	M127-C143 WeakPolarHBondContact CE-SG 3.29Å; L132-C143 HydrophobicContact CD1-CB 3.78Å; L132-C143 HydrophobicContact CD2-CB 4.05Å; C139-C143 PolarHBondContact SG-SG 3.28Å; C143-H145 VanDerWaalsContact C-N 3.25Å; C143-H145 PolarHBondContact O-N 2.92Å; C143-C146 PolarHBondContact O-N 3.34Å; C143-H150 PolarHBondContact O-NE2 2.83Å
144	R	96.2	Very high	96.6	Very high	38 Å²	38	45.8 Å²	45.8	14%	0.143	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-38	-176.8	-172.8	168.5	-64.7	161.1	-2.7	113.6	D119 V126 G142 F167 Y168	D119-R144 IonicContact OD2-CZ 2.74Å; D119-R144 IonicContact OD2-NH1 2.75Å; D119-R144 PolarHBondContact OD2-NH1 3.47Å; D119-R144 IonicContact OD2-NH2 3.46Å; D119-R144 PolarHBondContact OD2-NH2 2.89Å; V126-R144 HydrophobicContact CG1-CB 4.12Å; G142-R144 PolarHBondContact O-N 3.18Å; R144-F167 HydrophobicContact CG-CB 3.81Å; R144-F167 HydrophobicContact CG-CD2 3.49Å; R144-F167 VanDerWaalsContact CG-CD2 3.49Å; R144-F167 HydrophobicContact CG-CE2 4.35Å; R144-F167 HydrophobicContact CG-CG 3.89Å; R144-F167 WeakPolarHBondContact O-CB 3.22Å; R144-Y168 PolarHBondContact O-N 3.32Å
145	H	97	Very high	96.6	Very high	10 Å²	10	50.2 Å²	50.2	5%	0.046	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	34	-175.1	-61.9	-65.4	0	0	0	113.5	H106 Y117 L132 C143 P147	H106-H145 AromaticContact CE1-CD2 3.82Å; H106-H145 AromaticContact CE1-CG 3.41Å; H106-H145 VanDerWaalsContact CE1-CG 3.41Å; H106-H145 AromaticContact CE1-ND1 3.57Å; H106-H145 AromaticContact CG-CE1 3.55Å; H106-H145 AromaticContact CG-ND1 3.83Å; H106-H145 AromaticContact CG-NE2 3.68Å; H106-H145 AromaticContact ND1-CD2 3.21Å; H106-H145 PolarHBondContact ND1-CD2 3.48Å; H106-H145 AromaticContact ND1-CE1 3.44Å; H106-H145 PolarHBondContact ND1-CE1 2.92Å; H106-H145 AromaticContact ND1-CG 3.27Å; H106-H145 VanDerWaalsContact ND1-CG 3.27Å; H106-H145 AromaticContact ND1-ND1 3.43Å; H106-H145 PolarHBondContact ND1-ND1 3.41Å; H106-H145 AromaticContact ND1-NE2 3.31Å; H106-H145 PolarHBondContact ND1-NE2 3.08Å; Y117-H145 AromaticContact CE1-CD2 3.91Å; Y117-H145 AromaticContact CE1-NE2 3.64Å; Y117-H145 AromaticContact CZ-NE2 3.7Å; Y117-H145 PolarHBondContact OH-NE2 3.43Å; L132-H145 HydrophobicContact CD1-CB 4.4Å; L132-H145 WeakPolarHBondContact CD1-O 3.25Å; C143-H145 VanDerWaalsContact C-N 3.25Å; C143-H145 PolarHBondContact O-N 2.92Å; H145-P147 VanDerWaalsContact O-CD 3.26Å; H145-P147 WeakPolarHBondContact O-CD 3.4Å
146	C	97.2	Very high	96.6	Very high	9 Å²	9	48.7 Å²	48.7	6%	0.061	29%	0.29	C	S	.	.			trans	-62.3	116.7	-175.7	-171	0	0	0	0	112.4	C143 Y148 H150 Y168	C143-C146 PolarHBondContact O-N 3.34Å; C146-Y148 PolarHBondContact O-N 3.25Å; C146-H150 WeakPolarHBondContact CB-CD2 3.37Å; C146-Y168 HydrophobicContact CB-CD2 4.49Å; C146-Y168 HydrophobicContact CB-CE2 4.22Å
147	P	96.6	Very high	96.7	Very high	28 Å²	28	48.1 Å²	48.1	18%	0.182	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-3.7	179.8	31.9	-34.2	0	0	0	113.6	R84 V129 L132 L133 H145	R84-P147 PolarHBondContact NH1-O 3.5Å; V129-P147 HydrophobicContact CG2-CB 3.8Å; V129-P147 HydrophobicContact CG2-CG 4.08Å; L132-P147 HydrophobicContact CB-CG 4.1Å; L133-P147 HydrophobicContact CD2-CB 4.02Å; L133-P147 HydrophobicContact CD2-CG 3.93Å; L133-P147 HydrophobicContact CG-CB 4.38Å; L133-P147 HydrophobicContact CG-CG 4.06Å; H145-P147 VanDerWaalsContact O-CD 3.26Å; H145-P147 WeakPolarHBondContact O-CD 3.4Å
148	Y	96.2	Very high	96.7	Very high	45 Å²	45	49.6 Å²	49.6	18%	0.176	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	18	-175.7	-48.6	-73.7	0	0	0	112.5	L132 L133 G136 S137 C138 C146 H150 E151	L132-Y148 WeakPolarHBondContact O-CE2 3.43Å; L132-Y148 PolarHBondContact O-OH 2.92Å; L133-Y148 WeakPolarHBondContact CA-OH 3.37Å; L133-Y148 PolarHBondContact O-OH 2.86Å; G136-Y148 WeakPolarHBondContact CA-OH 3.42Å; S137-Y148 PolarHBondContact N-OH 3.03Å; S137-Y148 VanDerWaalsContact O-CE2 3.28Å; S137-Y148 WeakPolarHBondContact O-CE2 3.44Å; C138-Y148 HydrophobicContact CB-CD2 4.15Å; C138-Y148 HydrophobicContact CB-CG 4.35Å; C138-Y148 VanDerWaalsContact N-CD2 3.31Å; C146-Y148 PolarHBondContact O-N 3.25Å; Y148-H150 VanDerWaalsContact C-N 3.27Å; Y148-H150 PolarHBondContact O-N 3.26Å; Y148-H150 VanDerWaalsContact O-N 3.13Å; Y148-E151 PolarHBondContact O-N 3.02Å; Y148-E151 VanDerWaalsContact O-N 3.1Å
149	G	95.7	Very high	96.6	Very high	46 Å²	46	55.4 Å²	55.4	47%	0.474	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	23.2	171.5	0	0	0	0	0	115.6	E151 Y168	G149-E151 PolarHBondContact O-N 2.51Å; G149-Y168 VanDerWaalsContact C-OH 3.25Å; G149-Y168 WeakPolarHBondContact CA-OH 3.28Å
150	H	97	Very high	96.5	Very high	3 Å²	3	56 Å²	56	1%	0.014	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	28.4	-171.7	-69	173.9	0	0	0	114.3	C143 C146 Y148 N152 A153 K158 T161 Y168	C143-H150 PolarHBondContact O-NE2 2.83Å; C146-H150 WeakPolarHBondContact CB-CD2 3.37Å; Y148-H150 VanDerWaalsContact C-N 3.27Å; Y148-H150 PolarHBondContact O-N 3.26Å; Y148-H150 VanDerWaalsContact O-N 3.13Å; H150-N152 VanDerWaalsContact C-N 3.25Å; H150-N152 PolarHBondContact O-N 3.31Å; H150-N152 VanDerWaalsContact O-N 3.08Å; H150-A153 HydrophobicContact CB-CB 3.77Å; H150-A153 WeakPolarHBondContact O-CB 3.39Å; H150-A153 PolarHBondContact O-N 2.9Å; H150-K158 HydrophobicContact CB-CG 4.45Å; H150-K158 WeakPolarHBondContact O-CE 3.38Å; H150-T161 PolarHBondContact CE1-OG1 2.71Å; H150-Y168 AromaticContact CD2-CE2 3.9Å; H150-Y168 AromaticContact CE1-CD1 3.33Å; H150-Y168 WeakPolarHBondContact CE1-CD1 3.32Å; H150-Y168 AromaticContact CE1-CD2 3.57Å; H150-Y168 AromaticContact CE1-CE1 3.74Å; H150-Y168 AromaticContact CE1-CE2 3.96Å; H150-Y168 AromaticContact CE1-CG 3.22Å; H150-Y168 AromaticContact CG-CZ 3.99Å; H150-Y168 AromaticContact ND1-CD1 3.64Å; H150-Y168 AromaticContact ND1-CE1 3.63Å; H150-Y168 AromaticContact ND1-CG 3.98Å; H150-Y168 AromaticContact ND1-CZ 3.95Å; H150-Y168 AromaticContact NE2-CD2 3.38Å; H150-Y168 WeakPolarHBondContact NE2-CD2 3.45Å; H150-Y168 AromaticContact NE2-CE2 3.72Å; H150-Y168 AromaticContact NE2-CG 3.55Å
151	E	97.3	Very high	96.4	Very high	100 Å²	100	56.4 Å²	56.4	47%	0.467	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.9	-47.3	-178.7	58.5	-177.4	-167.8	0	0	113.5	C138 Y148 G149 K158	C138-E151 HydrophobicContact CB-CG 3.3Å; C138-E151 WeakPolarHBondContact CB-OE1 3.41Å; C138-E151 PolarHBondContact N-OE1 3.28Å; Y148-E151 PolarHBondContact O-N 3.02Å; Y148-E151 VanDerWaalsContact O-N 3.1Å; G149-E151 PolarHBondContact O-N 2.51Å; E151-K158 PolarHBondContact O-NZ 2.71Å; E151-K158 VanDerWaalsContact O-NZ 3.12Å
152	N	97.9	Very high	96.4	Very high	96 Å²	96	53.8 Å²	53.8	51%	0.513	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	6.3	-176.4	-63.2	-23.9	0	0	0	113.8	C138 G140 H150	C138-N152 HydrophobicContact CB-CB 3.87Å; C138-N152 WeakPolarHBondContact O-CB 3.21Å; C138-N152 PolarHBondContact O-ND2 3.28Å; G140-N152 WeakPolarHBondContact CA-O 3.47Å; H150-N152 VanDerWaalsContact C-N 3.25Å; H150-N152 PolarHBondContact O-N 3.31Å; H150-N152 VanDerWaalsContact O-N 3.08Å
153	A	97.4	Very high	96.4	Very high	8 Å²	8	58.8 Å²	58.8	7%	0.066	32%	0.315	C	S	.	.	S	Bend	trans	-76.2	148	177.2	0	0	0	0	0	110.9	H150 V157 K158	H150-A153 HydrophobicContact CB-CB 3.77Å; H150-A153 WeakPolarHBondContact O-CB 3.39Å; H150-A153 PolarHBondContact O-N 2.9Å; A153-V157 HydrophobicContact CB-CB 4.03Å; A153-V157 HydrophobicContact CB-CG1 3.77Å; A153-K158 HydrophobicContact CB-CG 4.26Å; A153-K158 VanDerWaalsContact O-CE 3.25Å; A153-K158 WeakPolarHBondContact O-CE 3.44Å; A153-K158 PolarHBondContact O-NZ 3.42Å
154	S	97.7	Very high	96.2	Very high	72 Å²	72	59.6 Å²	59.6	50%	0.503	32%	0.319	S	S	.	.			trans	-64.2	158	173.3	69	0	0	0	0	111.2	G156 V157 K158	S154-G156 VanDerWaalsContact C-N 3.25Å; S154-G156 PolarHBondContact O-N 2.8Å; S154-V157 WeakPolarHBondContact O-CB 3.34Å; S154-V157 PolarHBondContact O-N 2.92Å; S154-V157 WeakPolarHBondContact OG-CG2 3.44Å; S154-K158 PolarHBondContact O-N 3.26Å; S154-K158 VanDerWaalsContact O-N 3.08Å
155	E	97.1	Very high	96.1	Very high	113 Å²	113	58.3 Å²	58.3	53%	0.528	32%	0.317	S	S	.	.	H	α-helix	trans	-59.2	-38.3	-179.8	-173	54.3	-149.8	0	0	112.1	V157 K158 Q159	E155-V157 VanDerWaalsContact C-N 3.28Å; E155-V157 PolarHBondContact O-N 2.85Å; E155-K158 PolarHBondContact O-N 3.06Å; E155-Q159 HydrophobicContact CG-CG 4.42Å; E155-Q159 VanDerWaalsContact CG-NE2 3.29Å; E155-Q159 WeakPolarHBondContact O-CB 3.38Å; E155-Q159 VanDerWaalsContact O-CG 3.28Å; E155-Q159 WeakPolarHBondContact O-CG 3.46Å; E155-Q159 PolarHBondContact O-N 2.89Å; E155-Q159 WeakPolarHBondContact OE1-CG 3.28Å; E155-Q159 PolarHBondContact OE1-NE2 3.08Å
156	G	96.4	Very high	96.1	Very high	45 Å²	45	58.7 Å²	58.7	46%	0.464	32%	0.322	S	S	.	.	H	α-helix	trans	-61.6	-33.3	174.4	0	0	0	0	0	113.7	S154 S160	S154-G156 VanDerWaalsContact C-N 3.25Å; S154-G156 PolarHBondContact O-N 2.8Å; G156-S160 VanDerWaalsContact O-CB 3.28Å; G156-S160 WeakPolarHBondContact O-CB 3.44Å; G156-S160 PolarHBondContact O-N 3.07Å; G156-S160 PolarHBondContact O-OG 2.87Å
157	V	96.2	Very high	96	Very high	30 Å²	30	58.4 Å²	58.4	18%	0.182	32%	0.32	C	S	.	.	H	α-helix	trans	-71.4	-44	175.1	170.5	0	0	0	0	110.9	A153 S154 E155 Q159 S160 T161	A153-V157 HydrophobicContact CB-CB 4.03Å; A153-V157 HydrophobicContact CB-CG1 3.77Å; S154-V157 WeakPolarHBondContact O-CB 3.34Å; S154-V157 PolarHBondContact O-N 2.92Å; S154-V157 WeakPolarHBondContact OG-CG2 3.44Å; E155-V157 VanDerWaalsContact C-N 3.28Å; E155-V157 PolarHBondContact O-N 2.85Å; V157-Q159 VanDerWaalsContact C-N 3.3Å; V157-Q159 PolarHBondContact O-N 3.21Å; V157-S160 WeakPolarHBondContact CA-OG 3.19Å; V157-S160 PolarHBondContact O-N 2.99Å; V157-S160 PolarHBondContact O-OG 3.21Å; V157-S160 VanDerWaalsContact O-OG 3.07Å; V157-T161 PolarHBondContact O-N 3.29Å; V157-T161 PolarHBondContact O-OG1 2.85Å
158	K	95.9	Very high	96	Very high	84 Å²	84	59 Å²	59	37%	0.365	32%	0.318	S	S	.	.	H	α-helix	trans	-61.8	-38.8	176.7	-66.8	176.2	179.2	170.3	0	111.6	H150 E151 A153 S154 E155	H150-K158 HydrophobicContact CB-CG 4.45Å; H150-K158 WeakPolarHBondContact O-CE 3.38Å; E151-K158 PolarHBondContact O-NZ 2.71Å; E151-K158 VanDerWaalsContact O-NZ 3.12Å; A153-K158 HydrophobicContact CB-CG 4.26Å; A153-K158 VanDerWaalsContact O-CE 3.25Å; A153-K158 WeakPolarHBondContact O-CE 3.44Å; A153-K158 PolarHBondContact O-NZ 3.42Å; S154-K158 PolarHBondContact O-N 3.26Å; S154-K158 VanDerWaalsContact O-N 3.08Å; E155-K158 PolarHBondContact O-N 3.06Å
159	Q	95.3	Very high	95.9	Very high	130 Å²	130	58.6 Å²	58.6	61%	0.607	32%	0.318	S	S	*	.	H	α-helix	trans	-75.2	-26.3	177.9	-69.9	175.3	5.2	0	0	113.9	E155 V157	E155-Q159 HydrophobicContact CG-CG 4.42Å; E155-Q159 VanDerWaalsContact CG-NE2 3.29Å; E155-Q159 WeakPolarHBondContact O-CB 3.38Å; E155-Q159 VanDerWaalsContact O-CG 3.28Å; E155-Q159 WeakPolarHBondContact O-CG 3.46Å; E155-Q159 PolarHBondContact O-N 2.89Å; E155-Q159 WeakPolarHBondContact OE1-CG 3.28Å; E155-Q159 PolarHBondContact OE1-NE2 3.08Å; V157-Q159 VanDerWaalsContact C-N 3.3Å; V157-Q159 PolarHBondContact O-N 3.21Å
160	S	94.6	Very high	95.7	Very high	61 Å²	61	57.2 Å²	57.2	43%	0.427	30%	0.304	S	S	.	.	H	α-helix	trans	-89	-4.6	179.6	56.3	0	0	0	0	113.6	G156 V157 G170 V171	G156-S160 VanDerWaalsContact O-CB 3.28Å; G156-S160 WeakPolarHBondContact O-CB 3.44Å; G156-S160 PolarHBondContact O-N 3.07Å; G156-S160 PolarHBondContact O-OG 2.87Å; V157-S160 WeakPolarHBondContact CA-OG 3.19Å; V157-S160 PolarHBondContact O-N 2.99Å; V157-S160 PolarHBondContact O-OG 3.21Å; V157-S160 VanDerWaalsContact O-OG 3.07Å; S160-G170 CarbonylContact O-C 3.44Å; S160-G170 WeakPolarHBondContact O-CA 3.46Å; S160-V171 PolarHBondContact O-N 3.31Å
161	T	95	Very high	95.4	Very high	29 Å²	29	61.2 Å²	61.2	18%	0.178	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.6	179.5	60.5	0	0	0	0	112.4	H150 V157 E169	H150-T161 PolarHBondContact CE1-OG1 2.71Å; V157-T161 PolarHBondContact O-N 3.29Å; V157-T161 PolarHBondContact O-OG1 2.85Å; T161-E169 CarbonylContact C-O 3.57Å; T161-E169 WeakPolarHBondContact CA-O 3.36Å
162	K	94.8	Very high	94.4	Very high	147 Å²	147	66.1 Å²	66.1	64%	0.639	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	135.7	177.4	-179.7	-178.1	176.5	-175.5	0	109.9	N164 Y168 E169 V171	K162-N164 PolarHBondContact O-N 2.7Å; K162-Y168 WeakPolarHBondContact O-CA 3.26Å; K162-E169 PolarHBondContact N-O 3.46Å; K162-E169 PolarHBondContact O-N 2.97Å; K162-V171 HydrophobicContact CB-CG2 4.16Å
163	W	95.4	Very high	92.9	Very high	124 Å²	124	66.4 Å²	66.4	47%	0.47	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	116.7	169.6	-174.6	-102.9	0	0	0	110.1	G165 A166 F167 Y168	W163-G165 VanDerWaalsContact C-N 3.34Å; W163-G165 VanDerWaalsContact CD1-N 3.35Å; W163-G165 VanDerWaalsContact NE1-CA 3.3Å; W163-A166 VanDerWaalsContact CH2-C 3.42Å; W163-A166 WeakPolarHBondContact CH2-O 3.45Å; W163-F167 VanDerWaalsContact CE3-C 3.49Å; W163-Y168 HydrophobicContact CB-CD1 4.46Å; W163-Y168 HydrophobicContact CB-CE1 4.24Å; W163-Y168 HydrophobicContact CE3-CD1 4.39Å; W163-Y168 AromaticContact CE3-CD2 3.64Å; W163-Y168 HydrophobicContact CE3-CD2 3.64Å; W163-Y168 HydrophobicContact CE3-CE1 4.34Å; W163-Y168 AromaticContact CE3-CE2 3.57Å; W163-Y168 HydrophobicContact CE3-CE2 3.57Å; W163-Y168 HydrophobicContact CE3-CG 4.06Å; W163-Y168 AromaticContact CE3-CZ 3.95Å; W163-Y168 AromaticContact CZ3-CD2 3.86Å; W163-Y168 HydrophobicContact CZ3-CD2 3.86Å; W163-Y168 AromaticContact CZ3-CE2 3.84Å; W163-Y168 HydrophobicContact CZ3-CE2 3.84Å
164	N	94.3	Very high	91.1	Very high	34 Å²	34	70.8 Å²	70.8	18%	0.182	37%	0.372	C	S	.	.			trans	-92.4	9.4	-179.1	68.8	10.5	0	0	0	113.9	L95 K162 A166 F167 E169	L95-N164 HydrophobicContact CD2-CB 4.28Å; K162-N164 PolarHBondContact O-N 2.7Å; N164-A166 PolarHBondContact OD1-N 2.86Å; N164-F167 PolarHBondContact N-O 3.23Å; N164-F167 WeakPolarHBondContact ND2-CZ 3.11Å; N164-F167 PolarHBondContact OD1-N 2.81Å; N164-F167 PolarHBondContact OD1-O 2.95Å; N164-F167 VanDerWaalsContact OD1-O 3.07Å; N164-E169 PolarHBondContact ND2-OE2 2.83Å
165	G	93.7	Very high	89.2	Confident	11 Å²	11	69.5 Å²	69.5	11%	0.113	36%	0.36	C	S	.	.	S	Bend	trans	102	-23.2	-173.9	0	0	0	0	0	113.2	L87 W163	L87-G165 WeakPolarHBondContact CD1-O 3.44Å; W163-G165 VanDerWaalsContact C-N 3.34Å; W163-G165 VanDerWaalsContact CD1-N 3.35Å; W163-G165 VanDerWaalsContact NE1-CA 3.3Å
166	A	95.6	Very high	86.8	Confident	18 Å²	18	73.8 Å²	73.8	15%	0.149	39%	0.387	C	S	.	.	S	Bend	trans	-122.5	-37.8	-179.7	0	0	0	0	0	114	L87 L95 V103 W163 N164	L87-A166 HydrophobicContact CD1-CB 3.73Å; L87-A166 HydrophobicContact CD2-CB 3.98Å; L87-A166 HydrophobicContact CG-CB 4.45Å; L95-A166 HydrophobicContact CD1-CB 3.97Å; V103-A166 HydrophobicContact CG2-CB 3.57Å; W163-A166 VanDerWaalsContact CH2-C 3.42Å; W163-A166 WeakPolarHBondContact CH2-O 3.45Å; N164-A166 PolarHBondContact OD1-N 2.86Å
167	F	96.4	Very high	86.3	Confident	3 Å²	3	75.3 Å²	75.3	1%	0.013	38%	0.383	C	S	.	.	S	Bend	trans	-156.1	172.6	179.7	61.5	-94.6	0	0	0	111.6	A99 I102 V103 R144 W163 N164 E169	A99-F167 HydrophobicContact CB-CE1 3.95Å; A99-F167 HydrophobicContact CB-CZ 3.78Å; I102-F167 HydrophobicContact CB-CE1 3.83Å; I102-F167 HydrophobicContact CB-CZ 3.99Å; I102-F167 HydrophobicContact CD1-CE1 4.42Å; I102-F167 HydrophobicContact CD1-CE2 4.06Å; I102-F167 HydrophobicContact CD1-CZ 3.69Å; I102-F167 HydrophobicContact CG1-CZ 4.42Å; I102-F167 HydrophobicContact CG2-CD1 3.77Å; I102-F167 HydrophobicContact CG2-CD2 4.42Å; I102-F167 HydrophobicContact CG2-CE1 3.54Å; I102-F167 HydrophobicContact CG2-CE2 4.22Å; I102-F167 HydrophobicContact CG2-CG 4.22Å; I102-F167 HydrophobicContact CG2-CZ 3.79Å; V103-F167 HydrophobicContact CG2-CD1 4.08Å; V103-F167 HydrophobicContact CG2-CE1 4.13Å; R144-F167 HydrophobicContact CG-CB 3.81Å; R144-F167 HydrophobicContact CG-CD2 3.49Å; R144-F167 VanDerWaalsContact CG-CD2 3.49Å; R144-F167 HydrophobicContact CG-CE2 4.35Å; R144-F167 HydrophobicContact CG-CG 3.89Å; R144-F167 WeakPolarHBondContact O-CB 3.22Å; W163-F167 VanDerWaalsContact CE3-C 3.49Å; N164-F167 PolarHBondContact N-O 3.23Å; N164-F167 WeakPolarHBondContact ND2-CZ 3.11Å; N164-F167 PolarHBondContact OD1-N 2.81Å; N164-F167 PolarHBondContact OD1-O 2.95Å; N164-F167 VanDerWaalsContact OD1-O 3.07Å; F167-E169 HydrophobicContact CD2-CB 4.45Å; F167-E169 HydrophobicContact CE2-CB 4.03Å; F167-E169 HydrophobicContact CE2-CG 4.45Å
168	Y	96.3	Very high	85.8	Confident	39 Å²	39	77.6 Å²	77.6	15%	0.153	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	116.6	172.6	-71.1	-84.3	0	0	0	111.5	R144 C146 G149 H150 K162 W163	R144-Y168 PolarHBondContact O-N 3.32Å; C146-Y168 HydrophobicContact CB-CD2 4.49Å; C146-Y168 HydrophobicContact CB-CE2 4.22Å; G149-Y168 VanDerWaalsContact C-OH 3.25Å; G149-Y168 WeakPolarHBondContact CA-OH 3.28Å; H150-Y168 AromaticContact CD2-CE2 3.9Å; H150-Y168 AromaticContact CE1-CD1 3.33Å; H150-Y168 WeakPolarHBondContact CE1-CD1 3.32Å; H150-Y168 AromaticContact CE1-CD2 3.57Å; H150-Y168 AromaticContact CE1-CE1 3.74Å; H150-Y168 AromaticContact CE1-CE2 3.96Å; H150-Y168 AromaticContact CE1-CG 3.22Å; H150-Y168 AromaticContact CG-CZ 3.99Å; H150-Y168 AromaticContact ND1-CD1 3.64Å; H150-Y168 AromaticContact ND1-CE1 3.63Å; H150-Y168 AromaticContact ND1-CG 3.98Å; H150-Y168 AromaticContact ND1-CZ 3.95Å; H150-Y168 AromaticContact NE2-CD2 3.38Å; H150-Y168 WeakPolarHBondContact NE2-CD2 3.45Å; H150-Y168 AromaticContact NE2-CE2 3.72Å; H150-Y168 AromaticContact NE2-CG 3.55Å; K162-Y168 WeakPolarHBondContact O-CA 3.26Å; W163-Y168 HydrophobicContact CB-CD1 4.46Å; W163-Y168 HydrophobicContact CB-CE1 4.24Å; W163-Y168 HydrophobicContact CE3-CD1 4.39Å; W163-Y168 AromaticContact CE3-CD2 3.64Å; W163-Y168 HydrophobicContact CE3-CD2 3.64Å; W163-Y168 HydrophobicContact CE3-CE1 4.34Å; W163-Y168 AromaticContact CE3-CE2 3.57Å; W163-Y168 HydrophobicContact CE3-CE2 3.57Å; W163-Y168 HydrophobicContact CE3-CG 4.06Å; W163-Y168 AromaticContact CE3-CZ 3.95Å; W163-Y168 AromaticContact CZ3-CD2 3.86Å; W163-Y168 HydrophobicContact CZ3-CD2 3.86Å; W163-Y168 AromaticContact CZ3-CE2 3.84Å; W163-Y168 HydrophobicContact CZ3-CE2 3.84Å
169	E	94.1	Very high	85.2	Confident	38 Å²	38	77.3 Å²	77.3	18%	0.178	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	148.4	179.2	-173.5	174.6	-177.4	0	0	110.5	T161 K162 N164 F167	T161-E169 CarbonylContact C-O 3.57Å; T161-E169 WeakPolarHBondContact CA-O 3.36Å; K162-E169 PolarHBondContact N-O 3.46Å; K162-E169 PolarHBondContact O-N 2.97Å; N164-E169 PolarHBondContact ND2-OE2 2.83Å; F167-E169 HydrophobicContact CD2-CB 4.45Å; F167-E169 HydrophobicContact CE2-CB 4.03Å; F167-E169 HydrophobicContact CE2-CG 4.45Å
170	G	92.6	Very high	84.6	Confident	17 Å²	17	74.2 Å²	74.2	18%	0.175	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	133.2	177	0	0	0	0	0	111.7	S160 K172 E173	S160-G170 CarbonylContact O-C 3.44Å; S160-G170 WeakPolarHBondContact O-CA 3.46Å; G170-K172 PolarHBondContact O-N 3.25Å; G170-K172 VanDerWaalsContact O-N 3.16Å; G170-E173 PolarHBondContact N-OE2 3.17Å; G170-E173 PolarHBondContact O-N 2.99Å
171	V	89.1	Confident	84	Confident	87 Å²	87	75 Å²	75	53%	0.527	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.1	179.2	175.3	0	0	0	0	112.3	S160 K162	S160-V171 PolarHBondContact O-N 3.31Å; K162-V171 HydrophobicContact CB-CG2 4.16Å
172	K	77.7	Confident	83.3	Confident	203 Å²	203	78.1 Å²	78.1	88%	0.883	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-5.6	176.5	-60.8	-176.7	-178.3	179.8	0	113.4	G170 T174	G170-K172 PolarHBondContact O-N 3.25Å; G170-K172 VanDerWaalsContact O-N 3.16Å; K172-T174 PolarHBondContact O-N 3.16Å
173	E	66.4	Low	82.5	Confident	101 Å²	101	73.1 Å²	73.1	47%	0.472	38%	0.376	S	S	.	.			trans	-83.2	97.7	175.4	-67.8	-178.2	154.3	0	0	107.1	G170	G170-E173 PolarHBondContact N-OE2 3.17Å; G170-E173 PolarHBondContact O-N 2.99Å
174	T	58.9	Low	81.5	Confident	100 Å²	100	69.2 Å²	69.2	61%	0.613	37%	0.368	S	S	*	.			trans	-81.7	117.3	164.4	52	0	0	0	0	107.8	K172 N176	K172-T174 PolarHBondContact O-N 3.16Å; T174-N176 PolarHBondContact O-N 2.74Å
175	D	57.6	Low	80.4	Confident	45 Å²	45	72.2 Å²	72.2	24%	0.241	38%	0.384	C	S	.	.			trans	-65.4	84.3	164.9	-86	-17.6	0	0	0	109.1	S96 R121	S96-D175 WeakPolarHBondContact CB-OD2 3.29Å; S96-D175 PolarHBondContact OG-OD2 2.76Å; R121-D175 IonicContact NH1-OD1 3.83Å
176	N	46.6	Very low	79.2	Confident	204 Å²	204	77.7 Å²	77.7	100%	1.091	41%	0.409	S	S	*	.			trans	-78.7	0	159.2	-80.5	5.4	0	0	0	109.9	T174	T174-N176 PolarHBondContact O-N 2.74Å

Retrieved 176 of 176 residues in 103.6 ms (Link to these results)

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