A0A077Z795_TRITR Loading...

ShK domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z795, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 231 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	39.9	Very low	48.9	Very low	236 Å²	236	158.7 Å²	158.7	100%	1.163	86%	0.863	S	S	*	*				0	119.8	0	-86.3	161.7	170.2	0	0	107.9
2	I	44.2	Very low	48.4	Very low	169 Å²	169	162.3 Å²	162.3	87%	0.867	86%	0.864	S	S	*	*			trans	73.5	112.8	152	-51.1	170.4	0	0	0	117.7
3	Q	42.2	Very low	48.2	Very low	167 Å²	167	160.3 Å²	160.3	78%	0.78	86%	0.861	S	S	*	*			trans	-66.5	161.2	170.7	-66.5	155.5	-40.5	0	0	112.9
4	S	50.6	Low	48.1	Very low	125 Å²	125	155 Å²	155	87%	0.874	84%	0.843	S	S	*	*			trans	-158.6	118.3	133.7	-16.8	0	0	0	0	111.1
5	D	50.6	Low	47.5	Very low	142 Å²	142	151.7 Å²	151.7	76%	0.759	84%	0.836	S	S	*	*			trans	-62.5	156.2	167	-68.2	-73.4	0	0	0	113.3
6	S	57.2	Low	47.5	Very low	122 Å²	122	149.1 Å²	149.1	85%	0.853	83%	0.831	S	S	*	*			trans	-166.5	118	136.7	-91.5	0	0	0	0	114.2
7	A	53.9	Low	47.4	Very low	92 Å²	92	148.9 Å²	148.9	76%	0.76	84%	0.835	S	S	*	*			trans	72.5	96.4	132.9	0	0	0	0	0	119.7	Q9	A7-Q9 PolarHBondContact O-N 3.17Å
8	L	49.4	Very low	47.3	Very low	171 Å²	171	150.5 Å²	150.5	90%	0.895	83%	0.834	S	S	*	*			trans	-55.3	120.2	147.1	-93.1	133.4	0	0	0	110.1	E10	L8-E10 PolarHBondContact O-N 3.03Å
9	Q	49.7	Very low	47.5	Very low	187 Å²	187	152.2 Å²	152.2	87%	0.874	84%	0.836	S	S	*	*			trans	-75.2	105.5	159.9	-91.1	171.6	-47.6	0	0	108.4	A7 N11	A7-Q9 PolarHBondContact O-N 3.17Å; Q9-N11 PolarHBondContact O-N 3.13Å
10	E	52.9	Low	47.7	Very low	183 Å²	183	152.4 Å²	152.4	86%	0.855	84%	0.835	S	S	*	*			trans	-73.7	117	159.8	-68.5	-169.2	136.7	0	0	108.4	L8 K12	L8-E10 PolarHBondContact O-N 3.03Å; E10-K12 PolarHBondContact O-N 2.96Å; E10-K12 VanDerWaalsContact O-N 3.11Å
11	N	47.9	Very low	48	Very low	152 Å²	152	151.6 Å²	151.6	81%	0.813	83%	0.83	S	S	*	*			trans	-66.3	108.4	172.7	-92.8	-23.2	0	0	0	109.3	Q9 V13	Q9-N11 PolarHBondContact O-N 3.13Å; N11-V13 PolarHBondContact O-N 2.99Å
12	K	42.3	Very low	48.7	Very low	201 Å²	201	146.7 Å²	146.7	87%	0.874	81%	0.809	S	S	*	*			trans	-62.2	89.8	164.5	-174.3	177.5	-175.9	-179.7	0	109.5	E10	E10-K12 PolarHBondContact O-N 2.96Å; E10-K12 VanDerWaalsContact O-N 3.11Å
13	V	46.4	Very low	49.1	Very low	137 Å²	137	146.8 Å²	146.8	83%	0.83	81%	0.806	S	S	*	*			trans	-86.8	107.9	159.1	174.5	0	0	0	0	106.7	N11	N11-V13 PolarHBondContact O-N 2.99Å
14	S	47	Very low	49.6	Very low	86 Å²	86	143.8 Å²	143.8	60%	0.601	79%	0.791	S	S	*	*			trans	-62.2	130.6	179.4	-168.1	0	0	0	0	110.3	S16	S14-S16 PolarHBondContact O-N 3.24Å
15	S	38.8	Very low	49.6	Very low	106 Å²	106	142.8 Å²	142.8	74%	0.741	77%	0.773	S	S	*	*			trans	-30.6	123.7	158.5	52.8	0	0	0	0	113.9
16	S	46.7	Very low	49.2	Very low	109 Å²	109	139.2 Å²	139.2	76%	0.762	76%	0.759	S	S	*	*			trans	172.5	71.6	154.2	36.5	0	0	0	0	109.5	S14	S14-S16 PolarHBondContact O-N 3.24Å
17	V	46.7	Very low	48.9	Very low	146 Å²	146	137.6 Å²	137.6	89%	0.885	74%	0.735	S	S	*	*			trans	-143.9	61.3	167.7	-170.1	0	0	0	0	107.8
18	E	46	Very low	48.6	Very low	178 Å²	178	136.7 Å²	136.7	83%	0.832	71%	0.713	S	S	*	*			trans	-152.4	103.6	167.3	-62.2	-168.9	177	0	0	103.4
19	E	50.6	Low	48.5	Very low	183 Å²	183	133.6 Å²	133.6	86%	0.855	70%	0.697	S	S	*	*	S	Bend	trans	166	20.3	164	-92.2	163.9	-154.7	0	0	116.7
20	D	51.3	Low	48.6	Very low	156 Å²	156	132.3 Å²	132.3	83%	0.834	69%	0.691	S	S	*	*	S	Bend	trans	-126.1	5.1	179.9	-72.3	-46.5	0	0	0	116.4
21	D	53.6	Low	48.6	Very low	135 Å²	135	126.7 Å²	126.7	72%	0.722	66%	0.664	S	S	*	*	S	Bend	trans	-89.5	-9.9	-179	-68.3	-45.3	0	0	0	114.1
22	D	54.4	Low	48.4	Very low	133 Å²	133	124 Å²	124	71%	0.711	65%	0.649	S	S	*	*	H	α-helix	trans	-80.9	-24.4	-173.5	-70.5	-49.4	0	0	0	114	E24 S26	D22-E24 VanDerWaalsContact C-N 3.34Å; D22-S26 WeakPolarHBondContact O-CB 3.22Å; D22-S26 PolarHBondContact O-N 3.41Å
23	E	54.1	Low	48.3	Very low	172 Å²	172	117.4 Å²	117.4	80%	0.804	64%	0.638	S	S	*	*	H	α-helix	trans	-72.7	-29.7	175.1	-80.1	-153.2	142.8	0	0	111.7	S26	E23-S26 PolarHBondContact O-N 3.04Å
24	E	51.5	Low	48.3	Very low	103 Å²	103	115.4 Å²	115.4	48%	0.481	62%	0.62	S	S	.	*	H	α-helix	trans	-71.9	-36.6	-179	-155.6	-170.7	128	0	0	112.7	D22 W27 K28	D22-E24 VanDerWaalsContact C-N 3.34Å; E24-W27 VanDerWaalsContact CA-NE1 3.3Å; E24-W27 HydrophobicContact CG-CZ2 3.62Å; E24-W27 VanDerWaalsContact O-CE2 3.25Å; E24-W27 PolarHBondContact O-NE1 2.86Å; E24-W27 VanDerWaalsContact O-NE1 3.15Å; E24-K28 WeakPolarHBondContact O-CG 3.46Å; E24-K28 IonicContact OE1-NZ 2.83Å; E24-K28 PolarHBondContact OE1-NZ 2.71Å
25	E	51.2	Low	48.1	Very low	104 Å²	104	116.3 Å²	116.3	49%	0.486	62%	0.623	S	S	.	*	H	α-helix	trans	-74	-31.6	175.1	-74.7	-74	121.7	0	0	112.2	W27 K28 L29	E25-W27 PolarHBondContact O-N 2.73Å; E25-K28 PolarHBondContact O-N 3.39Å; E25-K28 IonicContact OE1-NZ 3.9Å; E25-L29 VanDerWaalsContact O-CG 3.29Å; E25-L29 WeakPolarHBondContact O-CG 3.39Å; E25-L29 PolarHBondContact O-N 2.98Å
26	S	42.5	Very low	48.7	Very low	68 Å²	68	118.1 Å²	118.1	48%	0.476	62%	0.62	S	S	.	*	H	α-helix	trans	-60.5	-46.8	-178.9	173.6	0	0	0	0	113.1	D22 E23 L29 Q30	D22-S26 WeakPolarHBondContact O-CB 3.22Å; D22-S26 PolarHBondContact O-N 3.41Å; E23-S26 PolarHBondContact O-N 3.04Å; S26-L29 PolarHBondContact O-N 2.88Å; S26-Q30 PolarHBondContact O-N 2.97Å; S26-Q30 VanDerWaalsContact O-N 3.16Å
27	W	49.4	Very low	48.7	Very low	88 Å²	88	113.9 Å²	113.9	33%	0.333	59%	0.591	S	S	.	*	H	α-helix	trans	-71.5	-35.9	178.1	60.4	-98.8	0	0	0	111.7	E24 E25 L29 Q30 F31 W213	E24-W27 VanDerWaalsContact CA-NE1 3.3Å; E24-W27 HydrophobicContact CG-CZ2 3.62Å; E24-W27 VanDerWaalsContact O-CE2 3.25Å; E24-W27 PolarHBondContact O-NE1 2.86Å; E24-W27 VanDerWaalsContact O-NE1 3.15Å; E25-W27 PolarHBondContact O-N 2.73Å; W27-L29 VanDerWaalsContact C-N 3.32Å; W27-L29 PolarHBondContact O-N 2.97Å; W27-Q30 WeakPolarHBondContact O-CB 3.46Å; W27-Q30 PolarHBondContact O-N 2.93Å; W27-F31 HydrophobicContact CE3-CD2 4.07Å; W27-F31 HydrophobicContact CE3-CE2 4.1Å; W27-F31 WeakPolarHBondContact O-CD2 3.49Å; W27-F31 PolarHBondContact O-N 2.74Å; W27-W213 HydrophobicContact CH2-CZ2 4.05Å; W27-W213 AromaticContact CH2-NE1 3.94Å; W27-W213 HydrophobicContact CZ3-CZ2 4.11Å
28	K	49	Very low	48.7	Very low	73 Å²	73	111 Å²	111	32%	0.317	57%	0.574	S	S	.	*	H	α-helix	trans	-57.6	-44.2	172.9	-71.9	174.6	-170.2	163.9	0	111.4	E24 E25 Q30 F31 L32	E24-K28 WeakPolarHBondContact O-CG 3.46Å; E24-K28 IonicContact OE1-NZ 2.83Å; E24-K28 PolarHBondContact OE1-NZ 2.71Å; E25-K28 PolarHBondContact O-N 3.39Å; E25-K28 IonicContact OE1-NZ 3.9Å; K28-Q30 VanDerWaalsContact C-N 3.34Å; K28-Q30 PolarHBondContact O-N 2.77Å; K28-F31 WeakPolarHBondContact O-CB 3.38Å; K28-F31 PolarHBondContact O-N 2.96Å; K28-F31 VanDerWaalsContact O-N 3.15Å; K28-L32 WeakPolarHBondContact O-CG 3.41Å; K28-L32 PolarHBondContact O-N 3Å; K28-L32 VanDerWaalsContact O-N 3.12Å
29	L	47.1	Very low	48.8	Very low	106 Å²	106	105.6 Å²	105.6	56%	0.555	56%	0.561	S	S	*	*	H	α-helix	trans	-66.3	-33	177.9	-70.7	173.1	0	0	0	113.1	E25 S26 W27 F31 L32 G33	E25-L29 VanDerWaalsContact O-CG 3.29Å; E25-L29 WeakPolarHBondContact O-CG 3.39Å; E25-L29 PolarHBondContact O-N 2.98Å; S26-L29 PolarHBondContact O-N 2.88Å; W27-L29 VanDerWaalsContact C-N 3.32Å; W27-L29 PolarHBondContact O-N 2.97Å; L29-F31 VanDerWaalsContact C-N 3.28Å; L29-F31 PolarHBondContact O-N 3.11Å; L29-L32 HydrophobicContact CD2-CD1 3.91Å; L29-L32 PolarHBondContact O-N 3.36Å; L29-G33 PolarHBondContact O-N 3.24Å
30	Q	52.5	Low	48.7	Very low	159 Å²	159	98.1 Å²	98.1	74%	0.743	53%	0.527	S	S	*	.	H	α-helix	trans	-65	-33.9	173.5	-155.2	105.3	39	0	0	111.6	S26 W27 K28	S26-Q30 PolarHBondContact O-N 2.97Å; S26-Q30 VanDerWaalsContact O-N 3.16Å; W27-Q30 WeakPolarHBondContact O-CB 3.46Å; W27-Q30 PolarHBondContact O-N 2.93Å; K28-Q30 VanDerWaalsContact C-N 3.34Å; K28-Q30 PolarHBondContact O-N 2.77Å
31	F	51.7	Low	48.5	Very low	65 Å²	65	92.6 Å²	92.6	29%	0.285	50%	0.499	S	S	.	.	H	α-helix	trans	-72.2	-33.3	173.5	-81.2	-77.8	0	0	0	113.1	W27 K28 L29 G33 A37	W27-F31 HydrophobicContact CE3-CD2 4.07Å; W27-F31 HydrophobicContact CE3-CE2 4.1Å; W27-F31 WeakPolarHBondContact O-CD2 3.49Å; W27-F31 PolarHBondContact O-N 2.74Å; K28-F31 WeakPolarHBondContact O-CB 3.38Å; K28-F31 PolarHBondContact O-N 2.96Å; K28-F31 VanDerWaalsContact O-N 3.15Å; L29-F31 VanDerWaalsContact C-N 3.28Å; L29-F31 PolarHBondContact O-N 3.11Å; F31-G33 PolarHBondContact O-N 3.06Å; F31-A37 WeakPolarHBondContact O-CB 3.49Å
32	L	44.4	Very low	48.1	Very low	96 Å²	96	94.7 Å²	94.7	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-67.8	-19.4	176	-57.7	-174.5	0	0	0	113.5	K28 L29 T41	K28-L32 WeakPolarHBondContact O-CG 3.41Å; K28-L32 PolarHBondContact O-N 3Å; K28-L32 VanDerWaalsContact O-N 3.12Å; L29-L32 HydrophobicContact CD2-CD1 3.91Å; L29-L32 PolarHBondContact O-N 3.36Å; L32-T41 HydrophobicContact CD2-CG2 3.19Å; L32-T41 HydrophobicContact CG-CG2 4.48Å
33	G	39.9	Very low	48	Very low	62 Å²	62	89.9 Å²	89.9	64%	0.639	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-3.5	-176.6	0	0	0	0	0	115.9	L29 F31	L29-G33 PolarHBondContact O-N 3.24Å; F31-G33 PolarHBondContact O-N 3.06Å
34	H	46.2	Very low	47.9	Very low	96 Å²	96	87 Å²	87	44%	0.444	46%	0.456	S	S	.	.	S	Bend	trans	-75.9	130.4	178.5	-152.7	-89.8	0	0	0	109.8	E36 A37	H34-E36 IonicContact CE1-OE2 3.97Å; H34-E36 IonicContact ND1-OE2 3.57Å; H34-E36 PolarHBondContact O-N 3.18Å; H34-A37 HydrophobicContact CB-CB 3.87Å; H34-A37 WeakPolarHBondContact O-CB 3.08Å; H34-A37 PolarHBondContact O-N 3.21Å
35	P	43.2	Very low	47.6	Very low	105 Å²	105	88.2 Å²	88.2	68%	0.682	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.5	-178.3	20.6	-31.2	0	0	0	113.1	T38	P35-T38 PolarHBondContact O-OG1 2.02Å
36	E	50.2	Low	47.6	Very low	143 Å²	143	88.7 Å²	88.7	67%	0.668	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-13.6	176.3	-60.7	178.6	150.2	0	0	114.2	H34 T38	H34-E36 IonicContact CE1-OE2 3.97Å; H34-E36 IonicContact ND1-OE2 3.57Å; H34-E36 PolarHBondContact O-N 3.18Å; E36-T38 VanDerWaalsContact C-N 3.27Å; E36-T38 PolarHBondContact O-N 2.75Å
37	A	46.6	Very low	48.1	Very low	20 Å²	20	89 Å²	89	17%	0.165	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-14.3	175.7	0	0	0	0	0	112.9	F31 H34 A39 V40 T41	F31-A37 WeakPolarHBondContact O-CB 3.49Å; H34-A37 HydrophobicContact CB-CB 3.87Å; H34-A37 WeakPolarHBondContact O-CB 3.08Å; H34-A37 PolarHBondContact O-N 3.21Å; A37-A39 PolarHBondContact O-N 3.38Å; A37-A39 VanDerWaalsContact O-N 3.16Å; A37-V40 PolarHBondContact O-N 2.87Å; A37-T41 HydrophobicContact CB-CG2 4.5Å; A37-T41 WeakPolarHBondContact O-CG2 3.4Å; A37-T41 PolarHBondContact O-N 2.83Å; A37-T41 PolarHBondContact O-OG1 3.44Å
38	T	47.6	Very low	48.3	Very low	85 Å²	85	89.2 Å²	89.2	52%	0.521	47%	0.469	S	S	.	.	H	α-helix	trans	-63.3	-19.1	-177.3	52.1	0	0	0	0	114.7	P35 E36 T41	P35-T38 PolarHBondContact O-OG1 2.02Å; E36-T38 VanDerWaalsContact C-N 3.27Å; E36-T38 PolarHBondContact O-N 2.75Å; T38-T41 WeakPolarHBondContact CA-OG1 3.21Å
39	A	47.5	Very low	48.6	Very low	66 Å²	66	89.1 Å²	89.1	55%	0.545	47%	0.472	S	S	.	.	H	α-helix	trans	-78.8	-33.4	177.3	0	0	0	0	0	112.8	A37	A37-A39 PolarHBondContact O-N 3.38Å; A37-A39 VanDerWaalsContact O-N 3.16Å
40	V	48.4	Very low	49	Very low	25 Å²	25	91.2 Å²	91.2	15%	0.152	47%	0.473	C	S	.	.	H	α-helix	trans	-95.2	-33.5	-175.1	-177.6	0	0	0	0	111.3	A37 R42 Q43 H44 L197 F200	A37-V40 PolarHBondContact O-N 2.87Å; V40-R42 VanDerWaalsContact C-N 3.31Å; V40-R42 PolarHBondContact O-N 2.97Å; V40-Q43 WeakPolarHBondContact O-CA 3.13Å; V40-Q43 VanDerWaalsContact O-CB 3.3Å; V40-Q43 WeakPolarHBondContact O-CB 3.24Å; V40-Q43 PolarHBondContact O-N 3.24Å; V40-H44 PolarHBondContact O-N 3.01Å; V40-L197 HydrophobicContact CG1-CD1 3.62Å; V40-L197 HydrophobicContact CG1-CD2 3.81Å; V40-L197 HydrophobicContact CG1-CG 4.39Å; V40-F200 HydrophobicContact CG2-CD1 4.43Å; V40-F200 HydrophobicContact CG2-CE1 3.86Å; V40-F200 HydrophobicContact CG2-CE2 4.33Å; V40-F200 HydrophobicContact CG2-CZ 3.8Å
41	T	46.9	Very low	49.1	Very low	40 Å²	40	88.8 Å²	88.8	25%	0.245	47%	0.465	C	S	.	.	H	α-helix	trans	-68.9	-31.1	176.8	51.3	0	0	0	0	112.7	L32 A37 T38 Q43 H44 E45	L32-T41 HydrophobicContact CD2-CG2 3.19Å; L32-T41 HydrophobicContact CG-CG2 4.48Å; A37-T41 HydrophobicContact CB-CG2 4.5Å; A37-T41 WeakPolarHBondContact O-CG2 3.4Å; A37-T41 PolarHBondContact O-N 2.83Å; A37-T41 PolarHBondContact O-OG1 3.44Å; T38-T41 WeakPolarHBondContact CA-OG1 3.21Å; T41-Q43 PolarHBondContact O-N 3.34Å; T41-H44 PolarHBondContact O-N 3.34Å; T41-E45 PolarHBondContact O-N 3.38Å
42	R	46.3	Very low	49.2	Very low	180 Å²	180	92.3 Å²	92.3	68%	0.679	48%	0.482	S	S	*	.	H	α-helix	trans	-65.7	-24.1	169.1	-149.4	177	-164.7	158.5	4.5	112.3	V40 L46	V40-R42 VanDerWaalsContact C-N 3.31Å; V40-R42 PolarHBondContact O-N 2.97Å; R42-L46 WeakPolarHBondContact O-CD1 3.1Å; R42-L46 WeakPolarHBondContact O-CG 3.31Å; R42-L46 PolarHBondContact O-N 3.17Å
43	Q	52.8	Low	49.3	Very low	31 Å²	31	95.8 Å²	95.8	15%	0.145	49%	0.49	C	S	.	.	H	α-helix	trans	-78.4	-36.2	175.2	-69.1	178	-67.4	0	0	112.1	V40 T41 E45 L46 Q47 N167	V40-Q43 WeakPolarHBondContact O-CA 3.13Å; V40-Q43 VanDerWaalsContact O-CB 3.3Å; V40-Q43 WeakPolarHBondContact O-CB 3.24Å; V40-Q43 PolarHBondContact O-N 3.24Å; T41-Q43 PolarHBondContact O-N 3.34Å; Q43-E45 VanDerWaalsContact C-N 3.3Å; Q43-E45 PolarHBondContact O-N 3.27Å; Q43-L46 CarbonylContact O-C 3.49Å; Q43-L46 WeakPolarHBondContact O-CA 3.47Å; Q43-L46 PolarHBondContact O-N 3.21Å; Q43-Q47 WeakPolarHBondContact O-CB 3.38Å; Q43-Q47 WeakPolarHBondContact O-CG 3Å; Q43-Q47 PolarHBondContact O-N 3.06Å; Q43-Q47 PolarHBondContact O-OE1 2.91Å; Q43-N167 PolarHBondContact NE2-ND2 3.21Å; Q43-N167 VanDerWaalsContact NE2-ND2 3.12Å
44	H	51.4	Low	49.7	Very low	111 Å²	111	95.6 Å²	95.6	51%	0.514	48%	0.482	S	S	.	.	H	α-helix	trans	-63.9	-37.9	175.4	-139.7	160.2	0	0	0	111.1	V40 T41 L46 Q47 N48	V40-H44 PolarHBondContact O-N 3.01Å; T41-H44 PolarHBondContact O-N 3.34Å; H44-L46 VanDerWaalsContact C-N 3.33Å; H44-L46 PolarHBondContact O-N 3.3Å; H44-Q47 PolarHBondContact O-N 3.05Å; H44-N48 WeakPolarHBondContact O-CB 2.99Å; H44-N48 VanDerWaalsContact O-CG 3.26Å; H44-N48 PolarHBondContact O-N 3.21Å; H44-N48 PolarHBondContact O-ND2 2.78Å
45	E	46	Very low	50	Low	130 Å²	130	94 Å²	94	61%	0.607	49%	0.486	S	S	*	.	H	α-helix	trans	-64.6	-33.7	170.4	-68.7	-177.2	149.5	0	0	112.8	T41 Q43 N49	T41-E45 PolarHBondContact O-N 3.38Å; Q43-E45 VanDerWaalsContact C-N 3.3Å; Q43-E45 PolarHBondContact O-N 3.27Å; E45-N49 PolarHBondContact O-N 2.97Å; E45-N49 PolarHBondContact O-ND2 2.96Å
46	L	49.7	Very low	50.3	Low	113 Å²	113	92.1 Å²	92.1	59%	0.592	48%	0.478	S	S	*	.	H	α-helix	trans	-80.5	-30	177.8	-69.6	170.2	0	0	0	113.2	R42 Q43 H44 N49 R50	R42-L46 WeakPolarHBondContact O-CD1 3.1Å; R42-L46 WeakPolarHBondContact O-CG 3.31Å; R42-L46 PolarHBondContact O-N 3.17Å; Q43-L46 CarbonylContact O-C 3.49Å; Q43-L46 WeakPolarHBondContact O-CA 3.47Å; Q43-L46 PolarHBondContact O-N 3.21Å; H44-L46 VanDerWaalsContact C-N 3.33Å; H44-L46 PolarHBondContact O-N 3.3Å; L46-N49 PolarHBondContact O-N 3.16Å; L46-R50 PolarHBondContact O-N 3.39Å
47	Q	54.5	Low	50.4	Low	74 Å²	74	95.9 Å²	95.9	35%	0.346	49%	0.486	S	S	.	.	H	α-helix	trans	-70.5	-44.4	173.7	-79.3	164.9	-58.3	0	0	110.6	Q43 H44 N49 R50 D51 E196	Q43-Q47 WeakPolarHBondContact O-CB 3.38Å; Q43-Q47 WeakPolarHBondContact O-CG 3Å; Q43-Q47 PolarHBondContact O-N 3.06Å; Q43-Q47 PolarHBondContact O-OE1 2.91Å; H44-Q47 PolarHBondContact O-N 3.05Å; Q47-N49 PolarHBondContact O-N 2.04Å; Q47-R50 WeakPolarHBondContact O-CA 3.36Å; Q47-R50 WeakPolarHBondContact O-CB 3.27Å; Q47-R50 PolarHBondContact O-N 3.19Å; Q47-D51 PolarHBondContact O-N 3.47Å; Q47-E196 PolarHBondContact NE2-OE1 3.41Å
48	N	53	Low	50.7	Low	94 Å²	94	99.5 Å²	99.5	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-58.1	-39.2	172.8	-71.9	-15.9	0	0	0	111.5	H44 D51 E52	H44-N48 WeakPolarHBondContact O-CB 2.99Å; H44-N48 VanDerWaalsContact O-CG 3.26Å; H44-N48 PolarHBondContact O-N 3.21Å; H44-N48 PolarHBondContact O-ND2 2.78Å; N48-D51 PolarHBondContact O-N 2.96Å; N48-E52 WeakPolarHBondContact O-CB 3.39Å; N48-E52 PolarHBondContact O-N 3.2Å
49	N	54.3	Low	50.7	Low	70 Å²	70	99.8 Å²	99.8	37%	0.374	52%	0.516	S	S	.	.	H	α-helix	trans	-64.9	-38.9	171.7	-84	-67.6	0	0	0	112.3	E45 L46 Q47 E52 Y53	E45-N49 PolarHBondContact O-N 2.97Å; E45-N49 PolarHBondContact O-ND2 2.96Å; L46-N49 PolarHBondContact O-N 3.16Å; Q47-N49 PolarHBondContact O-N 2.04Å; N49-E52 PolarHBondContact O-N 2.85Å; N49-Y53 HydrophobicContact CB-CD2 4.45Å; N49-Y53 WeakPolarHBondContact O-CB 3.39Å; N49-Y53 WeakPolarHBondContact O-CD2 3.33Å; N49-Y53 PolarHBondContact O-N 3.3Å
50	R	56.3	Low	50.8	Low	151 Å²	151	104.4 Å²	104.4	57%	0.57	53%	0.532	S	S	*	.	H	α-helix	trans	-65.9	-38.1	178.4	-173.5	174.6	172.7	153.9	-2.5	112.1	L46 Q47 Y53 A54	L46-R50 PolarHBondContact O-N 3.39Å; Q47-R50 WeakPolarHBondContact O-CA 3.36Å; Q47-R50 WeakPolarHBondContact O-CB 3.27Å; Q47-R50 PolarHBondContact O-N 3.19Å; R50-Y53 PolarHBondContact O-N 2.74Å; R50-A54 WeakPolarHBondContact O-CB 3.07Å; R50-A54 PolarHBondContact O-N 3.43Å
51	D	55.3	Low	50.9	Low	108 Å²	108	112.3 Å²	112.3	58%	0.578	56%	0.564	S	S	*	*	H	α-helix	trans	-71.2	-33.4	175	-67.7	-32	0	0	0	111.8	Q47 N48 A54 A55	Q47-D51 PolarHBondContact O-N 3.47Å; N48-D51 PolarHBondContact O-N 2.96Å; D51-A54 PolarHBondContact O-N 3.41Å; D51-A55 VanDerWaalsContact O-CB 3.23Å; D51-A55 WeakPolarHBondContact O-CB 3.4Å; D51-A55 PolarHBondContact O-N 3.22Å
52	E	52.5	Low	50.8	Low	139 Å²	139	117.2 Å²	117.2	65%	0.65	59%	0.594	S	S	*	*	H	α-helix	trans	-68	-40.8	172.1	-151.8	175.4	171.7	0	0	112	N48 N49 A56	N48-E52 WeakPolarHBondContact O-CB 3.39Å; N48-E52 PolarHBondContact O-N 3.2Å; N49-E52 PolarHBondContact O-N 2.85Å; E52-A56 VanDerWaalsContact O-CB 3.32Å; E52-A56 WeakPolarHBondContact O-CB 3.36Å; E52-A56 PolarHBondContact O-N 2.83Å
53	Y	47.6	Very low	51	Low	169 Å²	169	116.1 Å²	116.1	66%	0.663	60%	0.6	S	S	*	*	H	α-helix	trans	-73	-28.8	173.9	-79.5	-68.6	0	0	0	113.4	N49 R50 R57	N49-Y53 HydrophobicContact CB-CD2 4.45Å; N49-Y53 WeakPolarHBondContact O-CB 3.39Å; N49-Y53 WeakPolarHBondContact O-CD2 3.33Å; N49-Y53 PolarHBondContact O-N 3.3Å; R50-Y53 PolarHBondContact O-N 2.74Å; Y53-R57 PolarHBondContact O-N 3.13Å
54	A	48.2	Very low	51	Low	57 Å²	57	118.8 Å²	118.8	47%	0.471	62%	0.623	S	S	.	*	H	α-helix	trans	-74.9	-41	173.7	0	0	0	0	0	111.6	R50 D51 A56 R57 S58	R50-A54 WeakPolarHBondContact O-CB 3.07Å; R50-A54 PolarHBondContact O-N 3.43Å; D51-A54 PolarHBondContact O-N 3.41Å; A54-A56 VanDerWaalsContact C-N 3.3Å; A54-A56 PolarHBondContact O-N 3.46Å; A54-R57 PolarHBondContact O-N 3.35Å; A54-S58 PolarHBondContact O-N 2.8Å
55	A	51	Low	50.9	Low	64 Å²	64	119.8 Å²	119.8	53%	0.529	64%	0.639	S	S	.	*	H	α-helix	trans	-63.8	-35.4	171.7	0	0	0	0	0	111.8	D51 R57 S58	D51-A55 VanDerWaalsContact O-CB 3.23Å; D51-A55 WeakPolarHBondContact O-CB 3.4Å; D51-A55 PolarHBondContact O-N 3.22Å; A55-R57 PolarHBondContact O-N 2.68Å; A55-S58 PolarHBondContact O-N 2.97Å
56	A	49.7	Very low	51.1	Low	64 Å²	64	120.6 Å²	120.6	53%	0.529	65%	0.647	S	S	.	*	H	α-helix	trans	-69.5	-27.8	175.8	0	0	0	0	0	113.9	E52 A54	E52-A56 VanDerWaalsContact O-CB 3.32Å; E52-A56 WeakPolarHBondContact O-CB 3.36Å; E52-A56 PolarHBondContact O-N 2.83Å; A54-A56 VanDerWaalsContact C-N 3.3Å; A54-A56 PolarHBondContact O-N 3.46Å
57	R	52.7	Low	51	Low	222 Å²	222	120.5 Å²	120.5	84%	0.838	65%	0.653	S	S	*	*	H	α-helix	trans	-79.6	-14.4	174.6	-88.7	-175.8	-165.5	167.5	7.9	114.3	Y53 A54 A55 S59	Y53-R57 PolarHBondContact O-N 3.13Å; A54-R57 PolarHBondContact O-N 3.35Å; A55-R57 PolarHBondContact O-N 2.68Å; R57-S59 VanDerWaalsContact C-N 3.26Å; R57-S59 PolarHBondContact O-N 3.46Å
58	S	52.3	Low	50.9	Low	97 Å²	97	123.9 Å²	123.9	68%	0.678	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-7.1	174.6	179.6	0	0	0	0	113.3	A54 A55	A54-S58 PolarHBondContact O-N 2.8Å; A55-S58 PolarHBondContact O-N 2.97Å
59	S	49.3	Very low	50.5	Low	91 Å²	91	126.8 Å²	126.8	64%	0.636	69%	0.693	S	S	*	*	S	Bend	trans	-99.9	86.5	176	-67.6	0	0	0	0	109.9	R57 K61	R57-S59 VanDerWaalsContact C-N 3.26Å; R57-S59 PolarHBondContact O-N 3.46Å; S59-K61 VanDerWaalsContact C-N 3.26Å; S59-K61 PolarHBondContact O-N 2.77Å
60	D	47.7	Very low	50.3	Low	162 Å²	162	128.7 Å²	128.7	87%	0.866	71%	0.709	S	S	*	*			trans	-56.4	85.5	167.6	-78.9	-49.5	0	0	0	110.8
61	K	51.1	Low	50.1	Low	192 Å²	192	126.3 Å²	126.3	84%	0.835	72%	0.721	S	S	*	*			trans	-106.6	102.5	159.7	-86.6	-170.9	178.2	-172.3	0	108.4	S59 L63	S59-K61 VanDerWaalsContact C-N 3.26Å; S59-K61 PolarHBondContact O-N 2.77Å; K61-L63 PolarHBondContact O-N 3.38Å
62	V	45.5	Very low	49.9	Very low	143 Å²	143	128.8 Å²	128.8	87%	0.867	73%	0.733	S	S	*	*			trans	-36.9	101.3	165.2	-179.6	0	0	0	0	110
63	L	50	Low	50	Low	156 Å²	156	127.5 Å²	127.5	82%	0.817	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-99.5	116	172.8	-160.5	69.7	0	0	0	109	K61	K61-L63 PolarHBondContact O-N 3.38Å
64	S	52.7	Low	50.4	Low	88 Å²	88	124.2 Å²	124.2	62%	0.615	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-47.6	155.1	179	-45.1	0	0	0	0	113.7	L66	S64-L66 PolarHBondContact O-N 3.41Å
65	P	49.6	Very low	50.6	Low	132 Å²	132	133.2 Å²	133.2	86%	0.857	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-66	122	-172.7	27.4	-32.8	0	0	0	110.8
66	L	50	Low	50.5	Low	147 Å²	147	139.3 Å²	139.3	77%	0.77	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-70.3	145.5	171.1	-73.2	174.1	0	0	0	110.5	S64	S64-L66 PolarHBondContact O-N 3.41Å
67	P	47.5	Very low	50.5	Low	111 Å²	111	141 Å²	141	72%	0.721	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-68.2	137.5	-175.1	27.9	-32.7	0	0	0	111.3	L69	P67-L69 PolarHBondContact O-N 2.64Å; P67-L69 VanDerWaalsContact O-N 3.17Å
68	V	51.5	Low	50.7	Low	145 Å²	145	139.7 Å²	139.7	88%	0.879	80%	0.801	S	S	*	*			trans	-58.6	113	176	177.4	0	0	0	0	109.6
69	L	46.1	Very low	50.5	Low	155 Å²	155	145.3 Å²	145.3	81%	0.812	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-76.2	141.7	168.4	-80.4	166.4	0	0	0	110.1	P67	P67-L69 PolarHBondContact O-N 2.64Å; P67-L69 VanDerWaalsContact O-N 3.17Å
70	P	50.6	Low	50.5	Low	109 Å²	109	144.7 Å²	144.7	71%	0.708	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-69.8	139.3	-176.6	28.2	-32.5	0	0	0	111.5	I72	P70-I72 PolarHBondContact O-N 2.9Å
71	A	52	Low	50.2	Low	101 Å²	101	142.6 Å²	142.6	84%	0.835	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-61.1	123.7	176.2	0	0	0	0	0	111.2
72	I	49.8	Very low	50.1	Low	160 Å²	160	138.6 Å²	138.6	82%	0.821	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-78.6	125.9	171.3	-59.9	174.1	0	0	0	108	P70	P70-I72 PolarHBondContact O-N 2.9Å
73	P	55.8	Low	50.3	Low	113 Å²	113	137.9 Å²	137.9	73%	0.734	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-71	131.6	178.9	26.4	-31.1	0	0	0	111.4	R75	P73-R75 PolarHBondContact O-N 2.96Å
74	A	54.4	Low	50.3	Low	99 Å²	99	137 Å²	137	82%	0.818	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-60.9	122.9	173.6	0	0	0	0	0	110.8
75	R	53.5	Low	50.1	Low	246 Å²	246	137 Å²	137	93%	0.928	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-73.7	125.3	167.6	-95.8	-179.1	170	-177.3	-3.1	109.3	P73 A77	P73-R75 PolarHBondContact O-N 2.96Å; R75-A77 PolarHBondContact O-N 3.2Å
76	Q	48.1	Very low	50	Low	192 Å²	192	135.6 Å²	135.6	90%	0.897	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-62.7	121.7	171.8	-63	-179.9	-31.7	0	0	109.4
77	A	49.9	Very low	50.2	Low	101 Å²	101	133.9 Å²	133.9	84%	0.835	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-100.2	136.3	164.6	0	0	0	0	0	108.7	R75	R75-A77 PolarHBondContact O-N 3.2Å
78	E	56.7	Low	50.1	Low	193 Å²	193	139.1 Å²	139.1	90%	0.902	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-74.4	157.7	-160.8	-63.8	-179.9	119.7	0	0	114.2	G80	E78-G80 PolarHBondContact O-N 3.12Å
79	K	49.5	Very low	50.4	Low	216 Å²	216	140.1 Å²	140.1	94%	0.939	81%	0.812	S	S	*	*			trans	-61.1	107.5	174.4	-69.3	169.6	173.5	176.5	0	110.7
80	G	47.9	Very low	50.5	Low	78 Å²	78	141.4 Å²	141.4	80%	0.804	81%	0.813	S	S	*	*			trans	-106.9	86.8	162.9	0	0	0	0	0	110.4	E78 S82	E78-G80 PolarHBondContact O-N 3.12Å; G80-S82 PolarHBondContact O-N 2.04Å
81	S	42.8	Very low	50.5	Low	117 Å²	117	143 Å²	143	82%	0.818	82%	0.821	S	S	*	*			trans	-75.5	112.6	170.6	-178.9	0	0	0	0	108.9
82	S	49.3	Very low	50.1	Low	109 Å²	109	145.6 Å²	145.6	76%	0.762	82%	0.821	S	S	*	*			trans	-134	103.9	164.8	-164.4	0	0	0	0	108.8	G80 T84	G80-S82 PolarHBondContact O-N 2.04Å; S82-T84 PolarHBondContact O-N 3.45Å
83	T	48.9	Very low	50.4	Low	128 Å²	128	143.8 Å²	143.8	79%	0.785	82%	0.822	S	S	*	*			trans	-60.2	119.6	170	44.4	0	0	0	0	109.9
84	T	50	Low	50.1	Low	136 Å²	136	145.9 Å²	145.9	83%	0.834	82%	0.822	S	S	*	*			trans	-111.6	121.9	156	44.8	0	0	0	0	108.3	S82	S82-T84 PolarHBondContact O-N 3.45Å
85	A	49.3	Very low	49.9	Very low	88 Å²	88	148.9 Å²	148.9	73%	0.727	82%	0.819	S	S	*	*			trans	-68.8	142.9	-170.2	0	0	0	0	0	111.6	V87	A85-V87 PolarHBondContact O-N 3.48Å
86	S	47.4	Very low	49.7	Very low	104 Å²	104	141.9 Å²	141.9	73%	0.727	81%	0.808	S	S	*	*			trans	-59.2	124	154.3	55.3	0	0	0	0	109.1
87	V	52.7	Low	49.8	Very low	111 Å²	111	136.7 Å²	136.7	67%	0.673	79%	0.793	S	S	*	*			trans	-123.9	95.4	162	-179.1	0	0	0	0	106.6	A85 M89	A85-V87 PolarHBondContact O-N 3.48Å; V87-M89 HydrophobicContact CG1-CG 3.6Å; V87-M89 HydrophobicContact CG1-SD 4.45Å
88	Y	46.2	Very low	50	Low	220 Å²	220	142 Å²	142	86%	0.863	79%	0.792	S	S	*	*			trans	-79.1	124.9	153.4	-72.2	-85.7	0	0	0	106.3
89	M	57.7	Low	49.6	Very low	167 Å²	167	139.6 Å²	139.6	82%	0.823	79%	0.785	S	S	*	*			trans	-110.2	113.1	165.6	-65.8	-158.3	-67	0	0	107.9	V87	V87-M89 HydrophobicContact CG1-CG 3.6Å; V87-M89 HydrophobicContact CG1-SD 4.45Å
90	E	47.9	Very low	49.7	Very low	181 Å²	181	140.8 Å²	140.8	85%	0.846	78%	0.783	S	S	*	*			trans	-97.9	131	156.2	-62.6	-177.4	148.4	0	0	106.3
91	V	51.1	Low	49.9	Very low	142 Å²	142	143.9 Å²	143.9	86%	0.861	78%	0.782	S	S	*	*			trans	-163.9	133.2	148.5	-95.2	0	0	0	0	110.2
92	D	43.6	Very low	50.2	Low	156 Å²	156	146.4 Å²	146.4	83%	0.834	79%	0.785	S	S	*	*			trans	-70.3	152.7	-173.1	-53.6	-75.7	0	0	0	114.2
93	S	55.4	Low	50.5	Low	123 Å²	123	146.5 Å²	146.5	86%	0.86	79%	0.786	S	S	*	*			trans	-139.5	104	155.6	57.7	0	0	0	0	109.3
94	E	50.7	Low	50.7	Low	157 Å²	157	145.1 Å²	145.1	73%	0.734	78%	0.779	S	S	*	*			trans	-64	166.7	172.7	-66.8	173.7	71.9	0	0	112.9
95	Q	50.2	Low	51	Low	161 Å²	161	144.5 Å²	144.5	75%	0.752	78%	0.777	S	S	*	*			trans	95	108.4	146.2	-77.5	139	27.3	0	0	119
96	S	48.7	Very low	51.4	Low	100 Å²	100	144.4 Å²	144.4	70%	0.699	77%	0.771	S	S	*	*				115.2	94.2	110.8	-167.2	0	0	0	0	115.3
97	S	50.7	Low	51.5	Low	83 Å²	83	146.8 Å²	146.8	58%	0.58	78%	0.776	S	S	*	*				65.7	131.8	122.4	78.1	0	0	0	0	120.7
98	R	53.3	Low	51.7	Low	213 Å²	213	146.9 Å²	146.9	80%	0.804	78%	0.776	S	S	*	*			trans	95.8	103.5	155.1	-63.8	-179.6	-85.4	170.1	-5.8	117.4
99	D	48.1	Very low	52	Low	141 Å²	141	142.5 Å²	142.5	75%	0.754	77%	0.772	S	S	*	*			trans	53.2	107.1	130.4	-54.8	-48.3	0	0	0	118
100	R	53	Low	51.6	Low	241 Å²	241	140 Å²	140	91%	0.909	76%	0.763	S	S	*	*				178.7	135.1	119	-94	155.5	-175.8	-131.2	-0.9	111
101	D	51.5	Low	51.7	Low	144 Å²	144	140.5 Å²	140.5	77%	0.77	76%	0.758	S	S	*	*			trans	1.4	126	153	-72.2	-51.6	0	0	0	116.9
102	L	49.3	Very low	51.7	Low	169 Å²	169	140.6 Å²	140.6	89%	0.885	75%	0.751	S	S	*	*				-175.5	100.3	119.9	-114.1	69.5	0	0	0	108.6
103	S	54.6	Low	51.9	Low	111 Å²	111	141.4 Å²	141.4	78%	0.776	75%	0.747	S	S	*	*			trans	-62.9	155.6	160.1	-57.9	0	0	0	0	109.9
104	P	53.2	Low	51.4	Low	100 Å²	100	140.7 Å²	140.7	65%	0.649	74%	0.737	S	S	*	*			trans	-72.9	162.6	-151	31.5	-34.1	0	0	0	112	S106	P104-S106 PolarHBondContact O-N 3.34Å
105	P	57.2	Low	51.3	Low	123 Å²	123	142.9 Å²	142.9	80%	0.799	75%	0.745	S	S	*	*			trans	-67.5	91.2	168.2	29.5	-31.2	0	0	0	108.3	N107	P105-N107 PolarHBondContact O-N 3.09Å; P105-N107 PolarHBondContact O-OD1 3.21Å
106	S	56.7	Low	51	Low	86 Å²	86	138.2 Å²	138.2	60%	0.601	74%	0.74	S	S	*	*			trans	-70.6	98.9	151.7	54.1	0	0	0	0	106.8	P104 V108	P104-S106 PolarHBondContact O-N 3.34Å; S106-V108 PolarHBondContact O-N 3.2Å
107	N	50	Low	51	Low	153 Å²	153	140.9 Å²	140.9	82%	0.818	75%	0.746	S	S	*	*			trans	-77.3	62.8	158.7	32.3	-55.7	0	0	0	108.8	P105	P105-N107 PolarHBondContact O-N 3.09Å; P105-N107 PolarHBondContact O-OD1 3.21Å
108	V	56.1	Low	51.1	Low	113 Å²	113	144.7 Å²	144.7	69%	0.685	76%	0.755	S	S	*	*			trans	-91.5	103.1	149.1	-95.8	0	0	0	0	105.5	S106 D110	S106-V108 PolarHBondContact O-N 3.2Å; V108-D110 PolarHBondContact O-N 2.6Å
109	V	53.2	Low	50.7	Low	129 Å²	129	141.7 Å²	141.7	78%	0.782	75%	0.75	S	S	*	*			trans	-75.1	83.2	160.8	-77.2	0	0	0	0	107.1	Y111	V109-Y111 VanDerWaalsContact C-N 3.32Å; V109-Y111 PolarHBondContact O-N 2.76Å; V109-Y111 VanDerWaalsContact O-N 3.13Å
110	D	49.5	Very low	50.8	Low	115 Å²	115	145.9 Å²	145.9	62%	0.615	76%	0.755	S	S	*	*			trans	-71.6	94.3	160	-174.8	18.6	0	0	0	107.3	V108	V108-D110 PolarHBondContact O-N 2.6Å
111	Y	50.4	Low	50.5	Low	190 Å²	190	140.4 Å²	140.4	75%	0.745	75%	0.749	S	S	*	*			trans	-115.8	82.3	161.7	-91.2	-81	0	0	0	107.9	V109 F113	V109-Y111 VanDerWaalsContact C-N 3.32Å; V109-Y111 PolarHBondContact O-N 2.76Å; V109-Y111 VanDerWaalsContact O-N 3.13Å; Y111-F113 HydrophobicContact CD1-CD2 4.02Å; Y111-F113 AromaticContact CD1-CE2 3.96Å; Y111-F113 HydrophobicContact CD1-CE2 3.96Å; Y111-F113 HydrophobicContact CE1-CE2 4.35Å; Y111-F113 PolarHBondContact O-N 2.77Å
112	M	51.4	Low	50.8	Low	145 Å²	145	140 Å²	140	71%	0.714	75%	0.751	S	S	*	*			trans	-60	103.1	152.6	-89.9	-178.1	-76.2	0	0	110.1
113	F	47.1	Very low	50.9	Low	172 Å²	172	139.5 Å²	139.5	75%	0.754	74%	0.744	S	S	*	*			trans	-143	98.4	149.9	-76.2	-79.4	0	0	0	106.8	Y111	Y111-F113 HydrophobicContact CD1-CD2 4.02Å; Y111-F113 AromaticContact CD1-CE2 3.96Å; Y111-F113 HydrophobicContact CD1-CE2 3.96Å; Y111-F113 HydrophobicContact CE1-CE2 4.35Å; Y111-F113 PolarHBondContact O-N 2.77Å
114	V	44.5	Very low	50.6	Low	108 Å²	108	139.4 Å²	139.4	66%	0.655	74%	0.741	S	S	*	*				74.8	95	87.8	178.9	0	0	0	0	112
115	F	48.5	Very low	50.4	Low	204 Å²	204	142.9 Å²	142.9	90%	0.895	75%	0.753	S	S	*	*			trans	56.1	132.2	156	-49.5	-64.5	0	0	0	121.9
116	G	43.3	Very low	49.8	Very low	62 Å²	62	145 Å²	145	64%	0.639	75%	0.753	S	S	*	*			trans	118.9	97.9	141.2	0	0	0	0	0	116.9
117	D	49.4	Very low	49.2	Very low	157 Å²	157	146.2 Å²	146.2	84%	0.84	76%	0.761	S	S	*	*			trans	64.4	111.9	132.6	-43.5	-25.3	0	0	0	121
118	E	53.4	Low	49.1	Very low	162 Å²	162	145 Å²	145	76%	0.757	76%	0.76	S	S	*	*			trans	80	129.4	132.2	-122.7	173.3	88.1	0	0	121.6
119	Q	44.1	Very low	48.7	Very low	150 Å²	150	143.7 Å²	143.7	70%	0.701	76%	0.76	S	S	*	*			trans	69.8	118	170.5	-73.3	87.9	16.8	0	0	120.8
120	R	51.6	Low	48.5	Very low	229 Å²	229	144.3 Å²	144.3	86%	0.864	76%	0.758	S	S	*	*			trans	90.3	88.5	147.5	-142.6	173	-153.5	160.8	3.9	115	V122	R120-V122 PolarHBondContact O-N 2.87Å
121	T	44.7	Very low	48.4	Very low	127 Å²	127	142.9 Å²	142.9	78%	0.779	76%	0.755	S	S	*	*			trans	-52.3	103.6	158.8	50.3	0	0	0	0	109.6	E123	T121-E123 VanDerWaalsContact C-N 3.28Å; T121-E123 PolarHBondContact O-N 2.99Å
122	V	58.3	Low	48.2	Very low	136 Å²	136	140.2 Å²	140.2	82%	0.824	76%	0.759	S	S	*	*			trans	-79.2	84.6	157.4	-88.1	0	0	0	0	106.8	R120	R120-V122 PolarHBondContact O-N 2.87Å
123	E	51.3	Low	48.3	Very low	157 Å²	157	139.6 Å²	139.6	73%	0.734	75%	0.752	S	S	*	*			trans	-65.1	129.2	162	-71.7	-103.4	129.7	0	0	107.3	T121 L125	T121-E123 VanDerWaalsContact C-N 3.28Å; T121-E123 PolarHBondContact O-N 2.99Å; E123-L125 PolarHBondContact O-N 3.48Å
124	P	49.4	Very low	48.7	Very low	110 Å²	110	135.6 Å²	135.6	71%	0.714	74%	0.736	S	S	*	*			trans	-62.6	112.7	167.8	-11.8	25.9	0	0	0	107.1	Q126	P124-Q126 PolarHBondContact O-N 3.15Å
125	L	49.3	Very low	49.5	Very low	173 Å²	173	134 Å²	134	91%	0.906	72%	0.723	S	S	*	*			trans	-66.2	80.6	165.1	-72.4	172.1	0	0	0	107.6	E123 S127	E123-L125 PolarHBondContact O-N 3.48Å; L125-S127 VanDerWaalsContact C-N 3.25Å; L125-S127 PolarHBondContact O-N 3.46Å
126	Q	43.5	Very low	50.1	Low	167 Å²	167	128.7 Å²	128.7	78%	0.78	71%	0.712	S	S	*	*			trans	-64.7	96.8	158.9	-102.9	167.4	-19.1	0	0	105.9	P124 T128	P124-Q126 PolarHBondContact O-N 3.15Å; Q126-T128 VanDerWaalsContact C-N 3.28Å; Q126-T128 PolarHBondContact O-N 3.18Å
127	S	45.3	Very low	51.3	Low	112 Å²	112	132.6 Å²	132.6	78%	0.783	72%	0.718	S	S	*	*			trans	-60.1	92.8	172.1	-175.3	0	0	0	0	108.8	L125 A129	L125-S127 VanDerWaalsContact C-N 3.25Å; L125-S127 PolarHBondContact O-N 3.46Å; S127-A129 VanDerWaalsContact C-N 3.28Å; S127-A129 PolarHBondContact O-N 3.19Å
128	T	46.5	Very low	52.7	Low	128 Å²	128	127.1 Å²	127.1	79%	0.785	69%	0.689	S	S	*	*			trans	-92.4	61.3	168.7	57.1	0	0	0	0	108.6	Q126	Q126-T128 VanDerWaalsContact C-N 3.28Å; Q126-T128 PolarHBondContact O-N 3.18Å
129	A	49.2	Very low	54	Low	84 Å²	84	128.4 Å²	128.4	69%	0.694	69%	0.692	S	S	*	*			trans	-112.8	76.2	163.9	0	0	0	0	0	107.6	S127	S127-A129 VanDerWaalsContact C-N 3.28Å; S127-A129 PolarHBondContact O-N 3.19Å
130	L	47.8	Very low	56	Low	143 Å²	143	127.1 Å²	127.1	75%	0.749	69%	0.69	S	S	*	*			trans	-58.5	143.4	160.6	-100.4	94.9	0	0	0	107.9	T132	L130-T132 VanDerWaalsContact C-N 3.26Å; L130-T132 PolarHBondContact O-N 3.16Å
131	P	47.6	Very low	58	Low	84 Å²	84	116.8 Å²	116.8	55%	0.545	65%	0.653	S	S	.	*			trans	-64.6	92.5	167.9	27.3	-31.2	0	0	0	108.4	K133 M177	P131-K133 PolarHBondContact O-N 3.45Å; P131-M177 HydrophobicContact CB-SD 3.92Å; P131-M177 HydrophobicContact CG-SD 4.31Å
132	T	46.3	Very low	60.3	Low	135 Å²	135	115.7 Å²	115.7	83%	0.828	64%	0.641	S	S	*	*			trans	-76.2	69.7	173.3	51.9	0	0	0	0	109.1	L130	L130-T132 VanDerWaalsContact C-N 3.26Å; L130-T132 PolarHBondContact O-N 3.16Å
133	K	54.4	Low	62.1	Low	131 Å²	131	111.6 Å²	111.6	57%	0.57	62%	0.615	S	S	*	*			trans	-155.9	41.1	160.7	-149	-176.3	176.5	-176.6	0	113.5	P131 D135	P131-K133 PolarHBondContact O-N 3.45Å; K133-D135 PolarHBondContact O-N 3.41Å
134	H	55.5	Low	64.1	Low	88 Å²	88	107.3 Å²	107.3	41%	0.407	60%	0.603	S	S	.	*			trans	-73	75.2	159.7	-167.5	-78.9	0	0	0	109.4	S136 Y173	H134-S136 PolarHBondContact CE1-OG 2.68Å; H134-S136 PolarHBondContact ND1-OG 3.44Å; H134-S136 PolarHBondContact O-N 3.24Å; H134-S136 VanDerWaalsContact O-N 3.09Å; H134-Y173 AromaticContact CD2-CD1 3.9Å; H134-Y173 AromaticContact NE2-CD1 3.58Å
135	D	60.6	Low	66.3	Low	74 Å²	74	105.4 Å²	105.4	40%	0.396	58%	0.584	S	S	.	*			trans	-74.6	94	165.6	-176.6	2.4	0	0	0	108.1	K133 N137 N138	K133-D135 PolarHBondContact O-N 3.41Å; D135-N137 PolarHBondContact O-N 3.49Å; D135-N137 WeakPolarHBondContact OD1-CA 3.41Å; D135-N137 WeakPolarHBondContact OD1-CB 3.44Å; D135-N137 PolarHBondContact OD1-N 3.26Å; D135-N138 HydrophobicContact CB-CB 4.02Å; D135-N138 VanDerWaalsContact O-CB 3.3Å; D135-N138 WeakPolarHBondContact O-CB 3.33Å; D135-N138 PolarHBondContact O-N 3.41Å
136	S	61.3	Low	68.6	Low	94 Å²	94	105.3 Å²	105.3	66%	0.657	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-14.5	175.8	-50.5	0	0	0	0	113.2	H134	H134-S136 PolarHBondContact CE1-OG 2.68Å; H134-S136 PolarHBondContact ND1-OG 3.44Å; H134-S136 PolarHBondContact O-N 3.24Å; H134-S136 VanDerWaalsContact O-N 3.09Å
137	N	68.6	Low	71.1	Confident	143 Å²	143	101.8 Å²	101.8	77%	0.765	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-0.1	176.6	-71.2	-37	0	0	0	113.2	D135 K139	D135-N137 PolarHBondContact O-N 3.49Å; D135-N137 WeakPolarHBondContact OD1-CA 3.41Å; D135-N137 WeakPolarHBondContact OD1-CB 3.44Å; D135-N137 PolarHBondContact OD1-N 3.26Å; N137-K139 PolarHBondContact O-N 3.3Å
138	N	78.1	Confident	73.6	Confident	42 Å²	42	96.5 Å²	96.5	23%	0.225	52%	0.524	C	S	.	.			trans	-72.8	101.4	176.4	-174	2.4	0	0	0	110	D135 D140 C141	D135-N138 HydrophobicContact CB-CB 4.02Å; D135-N138 VanDerWaalsContact O-CB 3.3Å; D135-N138 WeakPolarHBondContact O-CB 3.33Å; D135-N138 PolarHBondContact O-N 3.41Å; N138-D140 PolarHBondContact O-N 2.98Å; N138-D140 VanDerWaalsContact O-N 3.16Å; N138-D140 WeakPolarHBondContact OD1-CA 3.32Å; N138-D140 VanDerWaalsContact OD1-CB 3.32Å; N138-D140 WeakPolarHBondContact OD1-CB 3.03Å; N138-D140 PolarHBondContact OD1-N 3.25Å; N138-C141 HydrophobicContact CB-CB 4.14Å; N138-C141 VanDerWaalsContact O-CB 3.28Å; N138-C141 WeakPolarHBondContact O-CB 3.19Å; N138-C141 PolarHBondContact O-N 3.18Å
139	K	80.8	Confident	76.1	Confident	189 Å²	189	94.2 Å²	94.2	82%	0.822	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.2	175.9	-67.1	-177.8	-179	177.5	0	113	N137 C141	N137-K139 PolarHBondContact O-N 3.3Å; K139-C141 VanDerWaalsContact C-N 3.29Å
140	D	85.6	Confident	78.4	Confident	123 Å²	123	95 Å²	95	66%	0.658	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-4.2	177.6	-54.4	-39.4	0	0	0	112.1	N138 L142	N138-D140 PolarHBondContact O-N 2.98Å; N138-D140 VanDerWaalsContact O-N 3.16Å; N138-D140 WeakPolarHBondContact OD1-CA 3.32Å; N138-D140 VanDerWaalsContact OD1-CB 3.32Å; N138-D140 WeakPolarHBondContact OD1-CB 3.03Å; N138-D140 PolarHBondContact OD1-N 3.25Å; D140-L142 PolarHBondContact O-N 2.78Å
141	C	93.2	Very high	80.8	Confident	13 Å²	13	91.6 Å²	91.6	9%	0.088	48%	0.483	C	S	.	.			trans	-77.9	91.9	171.9	-172	0	0	0	0	110.6	N138 K139 C175	N138-C141 HydrophobicContact CB-CB 4.14Å; N138-C141 VanDerWaalsContact O-CB 3.28Å; N138-C141 WeakPolarHBondContact O-CB 3.19Å; N138-C141 PolarHBondContact O-N 3.18Å; K139-C141 VanDerWaalsContact C-N 3.29Å; C141-C175 HydrophobicContact CB-CB 3.65Å; C141-C175 WeakPolarHBondContact CB-SG 3.49Å; C141-C175 WeakPolarHBondContact SG-CA 3.27Å; C141-C175 WeakPolarHBondContact SG-CB 3.23Å; C141-C175 CovalentContact SG-SG 2.02Å; C141-C175 PolarHBondContact SG-SG 3.02Å
142	L	93.6	Very high	83.2	Confident	103 Å²	103	88.7 Å²	88.7	54%	0.539	47%	0.465	S	S	.	.			trans	-129.9	156.9	-176.5	-60.6	172.6	0	0	0	110.4	D140	D140-L142 PolarHBondContact O-N 2.78Å
143	D	95.9	Very high	85.7	Confident	50 Å²	50	86.7 Å²	86.7	27%	0.267	46%	0.457	S	S	.	.	B	Isolated β-bridge	trans	-80.4	130.7	165.7	-70.7	-32.5	0	0	0	109.5	H145 C148 C168 K170 S171	D143-H145 VanDerWaalsContact C-N 3.3Å; D143-C148 HydrophobicContact CB-CB 3.56Å; D143-C168 VanDerWaalsContact OD1-CA 3.31Å; D143-C168 WeakPolarHBondContact OD1-CA 3.43Å; D143-K170 PolarHBondContact OD1-N 2.76Å; D143-S171 VanDerWaalsContact CG-OG 3.27Å; D143-S171 WeakPolarHBondContact OD1-CB 3.48Å; D143-S171 PolarHBondContact OD1-N 3.46Å; D143-S171 PolarHBondContact OD1-OG 3.2Å; D143-S171 PolarHBondContact OD2-OG 2.82Å
144	S	94.1	Very high	87.7	Confident	68 Å²	68	83.8 Å²	83.8	48%	0.476	45%	0.45	S	S	.	.	S	Bend	trans	-83.5	-9.6	-179.7	-53	0	0	0	0	112.4	N167	S144-N167 WeakPolarHBondContact CB-O 3.38Å; S144-N167 PolarHBondContact N-O 2.96Å; S144-N167 PolarHBondContact OG-O 3.42Å
145	H	95.7	Very high	89.7	Confident	70 Å²	70	80.7 Å²	80.7	32%	0.324	44%	0.442	S	S	.	.	S	Bend	trans	-135.3	140.2	177	-163	-55.2	0	0	0	111.2	D143 K147 C148 W151 W163	D143-H145 VanDerWaalsContact C-N 3.3Å; H145-K147 PolarHBondContact ND1-N 3.33Å; H145-K147 VanDerWaalsContact ND1-N 3.12Å; H145-K147 PolarHBondContact O-N 2.94Å; H145-C148 VanDerWaalsContact O-CB 3.29Å; H145-C148 WeakPolarHBondContact O-CB 3.29Å; H145-C148 PolarHBondContact O-N 2.97Å; H145-C148 PolarHBondContact O-SG 3.46Å; H145-W151 HydrophobicContact CB-CH2 4.44Å; H145-W151 HydrophobicContact CB-CZ3 3.78Å; H145-W151 AromaticContact CD2-CH2 3.51Å; H145-W151 AromaticContact CD2-CZ3 3.71Å; H145-W151 AromaticContact CE1-CH2 3.65Å; H145-W151 AromaticContact CG-CH2 3.66Å; H145-W151 AromaticContact CG-CZ3 3.48Å; H145-W151 VanDerWaalsContact CG-CZ3 3.48Å; H145-W151 AromaticContact ND1-CH2 3.74Å; H145-W151 AromaticContact ND1-CZ3 3.81Å; H145-W151 AromaticContact NE2-CH2 3.51Å; H145-W163 HydrophobicContact CB-CH2 4.09Å
146	E	97	Very high	91.5	Very high	170 Å²	170	79.7 Å²	79.7	79%	0.794	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-20.5	176.5	52.4	164.6	-147.7	0	0	115.1
147	K	96.5	Very high	93.2	Very high	94 Å²	94	76.4 Å²	76.4	41%	0.409	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	0	-177.2	-69	179.8	-174	176.4	0	112.5	H145 S149 L150 W151	H145-K147 PolarHBondContact ND1-N 3.33Å; H145-K147 VanDerWaalsContact ND1-N 3.12Å; H145-K147 PolarHBondContact O-N 2.94Å; K147-S149 PolarHBondContact O-N 3.34Å; K147-L150 WeakPolarHBondContact O-CA 3.46Å; K147-L150 WeakPolarHBondContact O-CB 3.23Å; K147-L150 PolarHBondContact O-N 3.15Å; K147-W151 HydrophobicContact CB-CD2 3.73Å; K147-W151 HydrophobicContact CB-CE3 3.87Å; K147-W151 HydrophobicContact CB-CG 4.44Å; K147-W151 HydrophobicContact CB-CH2 3.83Å; K147-W151 HydrophobicContact CB-CZ2 3.66Å; K147-W151 HydrophobicContact CB-CZ3 3.89Å; K147-W151 HydrophobicContact CD-CH2 4.31Å; K147-W151 HydrophobicContact CD-CZ2 3.7Å; K147-W151 HydrophobicContact CG-CZ2 4.31Å; K147-W151 PolarHBondContact O-N 2.79Å
148	C	97.9	Very high	94.6	Very high	0 Å²	0	78 Å²	78	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-51.5	-42	178.6	-80.1	0	0	0	0	112.3	D143 H145 L150 W151 A152 C168	D143-C148 HydrophobicContact CB-CB 3.56Å; H145-C148 VanDerWaalsContact O-CB 3.29Å; H145-C148 WeakPolarHBondContact O-CB 3.29Å; H145-C148 PolarHBondContact O-N 2.97Å; H145-C148 PolarHBondContact O-SG 3.46Å; C148-L150 PolarHBondContact O-N 2.93Å; C148-W151 PolarHBondContact O-N 3.39Å; C148-A152 WeakPolarHBondContact O-CB 3.03Å; C148-A152 PolarHBondContact O-N 3.24Å; C148-C168 WeakPolarHBondContact CA-SG 3.08Å; C148-C168 HydrophobicContact CB-CB 3.49Å; C148-C168 VanDerWaalsContact CB-CB 3.49Å; C148-C168 WeakPolarHBondContact CB-SG 3.47Å; C148-C168 WeakPolarHBondContact SG-CA 3.37Å; C148-C168 WeakPolarHBondContact SG-CB 3.33Å; C148-C168 CovalentContact SG-SG 2.03Å; C148-C168 PolarHBondContact SG-SG 2.81Å
149	S	97.7	Very high	95.4	Very high	81 Å²	81	84.5 Å²	84.5	57%	0.566	44%	0.436	S	S	*	.	H	α-helix	trans	-63.9	-41.8	177.4	179.2	0	0	0	0	112.5	K147 S153 S171	K147-S149 PolarHBondContact O-N 3.34Å; S149-S153 WeakPolarHBondContact O-CB 3.42Å; S149-S153 PolarHBondContact O-N 3.18Å; S149-S153 PolarHBondContact O-OG 3.34Å; S149-S171 VanDerWaalsContact CA-OG 3.23Å; S149-S171 WeakPolarHBondContact CA-OG 3.36Å; S149-S171 PolarHBondContact N-OG 3.26Å; S149-S171 VanDerWaalsContact N-OG 3.12Å
150	L	98.1	Very high	96.1	Very high	101 Å²	101	78.5 Å²	78.5	53%	0.529	41%	0.413	S	S	.	.	H	α-helix	trans	-64.5	-49.7	175.8	178.4	66.1	0	0	0	110.8	K147 C148 A152 S153 T154	K147-L150 WeakPolarHBondContact O-CA 3.46Å; K147-L150 WeakPolarHBondContact O-CB 3.23Å; K147-L150 PolarHBondContact O-N 3.15Å; C148-L150 PolarHBondContact O-N 2.93Å; L150-A152 PolarHBondContact O-N 3.34Å; L150-S153 PolarHBondContact O-N 3.39Å; L150-S153 PolarHBondContact O-OG 3.3Å; L150-T154 PolarHBondContact O-N 3.46Å; L150-T154 PolarHBondContact O-OG1 2.71Å
151	W	98.1	Very high	96.7	Very high	71 Å²	71	73.6 Å²	73.6	27%	0.269	39%	0.387	S	S	.	.	H	α-helix	trans	-63.8	-41.1	-179.6	-65.7	-32.5	0	0	0	112.8	H145 K147 C148 S153 T154 G155 E156 W163 M164	H145-W151 HydrophobicContact CB-CH2 4.44Å; H145-W151 HydrophobicContact CB-CZ3 3.78Å; H145-W151 AromaticContact CD2-CH2 3.51Å; H145-W151 AromaticContact CD2-CZ3 3.71Å; H145-W151 AromaticContact CE1-CH2 3.65Å; H145-W151 AromaticContact CG-CH2 3.66Å; H145-W151 AromaticContact CG-CZ3 3.48Å; H145-W151 VanDerWaalsContact CG-CZ3 3.48Å; H145-W151 AromaticContact ND1-CH2 3.74Å; H145-W151 AromaticContact ND1-CZ3 3.81Å; H145-W151 AromaticContact NE2-CH2 3.51Å; K147-W151 HydrophobicContact CB-CD2 3.73Å; K147-W151 HydrophobicContact CB-CE3 3.87Å; K147-W151 HydrophobicContact CB-CG 4.44Å; K147-W151 HydrophobicContact CB-CH2 3.83Å; K147-W151 HydrophobicContact CB-CZ2 3.66Å; K147-W151 HydrophobicContact CB-CZ3 3.89Å; K147-W151 HydrophobicContact CD-CH2 4.31Å; K147-W151 HydrophobicContact CD-CZ2 3.7Å; K147-W151 HydrophobicContact CG-CZ2 4.31Å; K147-W151 PolarHBondContact O-N 2.79Å; C148-W151 PolarHBondContact O-N 3.39Å; W151-S153 VanDerWaalsContact C-N 3.33Å; W151-S153 PolarHBondContact O-N 2.83Å; W151-T154 WeakPolarHBondContact CA-OG1 3.37Å; W151-T154 PolarHBondContact O-N 3.2Å; W151-T154 PolarHBondContact O-OG1 2.89Å; W151-G155 PolarHBondContact O-N 2.86Å; W151-E156 HydrophobicContact CB-CB 3.98Å; W151-E156 HydrophobicContact CB-CG 3.78Å; W151-E156 HydrophobicContact CG-CG 4.38Å; W151-E156 VanDerWaalsContact O-CB 3.23Å; W151-E156 WeakPolarHBondContact O-CB 3.44Å; W151-E156 VanDerWaalsContact O-CG 3.27Å; W151-E156 WeakPolarHBondContact O-CG 3.43Å; W151-E156 PolarHBondContact O-N 3.2Å; W151-W163 AromaticContact CE3-CH2 3.82Å; W151-W163 HydrophobicContact CE3-CH2 3.82Å; W151-W163 AromaticContact CE3-CZ3 3.58Å; W151-W163 HydrophobicContact CE3-CZ3 3.58Å; W151-W163 HydrophobicContact CH2-CH2 4.26Å; W151-W163 AromaticContact CZ3-CH2 3.32Å; W151-W163 HydrophobicContact CZ3-CH2 3.32Å; W151-W163 HydrophobicContact CZ3-CZ2 4.27Å; W151-W163 AromaticContact CZ3-CZ3 3.59Å; W151-W163 HydrophobicContact CZ3-CZ3 3.59Å; W151-M164 HydrophobicContact CB-CE 3.77Å; W151-M164 HydrophobicContact CB-SD 3.9Å; W151-M164 HydrophobicContact CE3-SD 4.47Å
152	A	98.1	Very high	96.8	Very high	22 Å²	22	74.1 Å²	74.1	18%	0.182	39%	0.388	C	S	.	.	H	α-helix	trans	-61.2	-43.7	172.9	0	0	0	0	0	111	C148 L150 T154 G155 C157 M164 S171	C148-A152 WeakPolarHBondContact O-CB 3.03Å; C148-A152 PolarHBondContact O-N 3.24Å; L150-A152 PolarHBondContact O-N 3.34Å; A152-T154 PolarHBondContact O-N 2.75Å; A152-G155 PolarHBondContact O-N 3.42Å; A152-C157 VanDerWaalsContact CB-SG 3.58Å; A152-M164 HydrophobicContact CB-CE 4.15Å; A152-S171 WeakPolarHBondContact CB-O 3.47Å
153	S	97.8	Very high	96.9	Very high	94 Å²	94	72.1 Å²	72.1	66%	0.657	37%	0.374	S	S	*	.	H	α-helix	trans	-63.9	-26.4	177.3	78	0	0	0	0	113.7	S149 L150 W151 G155	S149-S153 WeakPolarHBondContact O-CB 3.42Å; S149-S153 PolarHBondContact O-N 3.18Å; S149-S153 PolarHBondContact O-OG 3.34Å; L150-S153 PolarHBondContact O-N 3.39Å; L150-S153 PolarHBondContact O-OG 3.3Å; W151-S153 VanDerWaalsContact C-N 3.33Å; W151-S153 PolarHBondContact O-N 2.83Å; S153-G155 VanDerWaalsContact C-N 3.32Å
154	T	97.7	Very high	97	Very high	70 Å²	70	69.9 Å²	69.9	43%	0.429	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-5.1	174.7	55	0	0	0	0	113.1	L150 W151 A152 R159	L150-T154 PolarHBondContact O-N 3.46Å; L150-T154 PolarHBondContact O-OG1 2.71Å; W151-T154 WeakPolarHBondContact CA-OG1 3.37Å; W151-T154 PolarHBondContact O-N 3.2Å; W151-T154 PolarHBondContact O-OG1 2.89Å; A152-T154 PolarHBondContact O-N 2.75Å; T154-R159 PolarHBondContact O-NH1 2.94Å
155	G	97.3	Very high	97.1	Very high	22 Å²	22	67.9 Å²	67.9	23%	0.227	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.7	18.3	179	0	0	0	0	0	114.9	W151 A152 S153 C157 E158 R159	W151-G155 PolarHBondContact O-N 2.86Å; A152-G155 PolarHBondContact O-N 3.42Å; S153-G155 VanDerWaalsContact C-N 3.32Å; G155-C157 VanDerWaalsContact C-N 3.25Å; G155-C157 PolarHBondContact O-N 3.3Å; G155-E158 PolarHBondContact O-N 3.16Å; G155-R159 PolarHBondContact O-N 3.27Å
156	E	97.9	Very high	97.1	Very high	54 Å²	54	65.3 Å²	65.3	25%	0.252	34%	0.335	S	S	.	.	H	α-helix	trans	-66.8	-25.5	-179.1	-66.4	-57.9	126.7	0	0	112.8	W151 E158 R159 N160 M164	W151-E156 HydrophobicContact CB-CB 3.98Å; W151-E156 HydrophobicContact CB-CG 3.78Å; W151-E156 HydrophobicContact CG-CG 4.38Å; W151-E156 VanDerWaalsContact O-CB 3.23Å; W151-E156 WeakPolarHBondContact O-CB 3.44Å; W151-E156 VanDerWaalsContact O-CG 3.27Å; W151-E156 WeakPolarHBondContact O-CG 3.43Å; W151-E156 PolarHBondContact O-N 3.2Å; E156-E158 PolarHBondContact O-N 3.06Å; E156-R159 PolarHBondContact O-N 3.12Å; E156-R159 IonicContact OE1-NH1 3.89Å; E156-N160 CarbonylContact O-C 3.13Å; E156-N160 WeakPolarHBondContact O-CA 3.43Å; E156-N160 PolarHBondContact O-N 2.95Å; E156-M164 HydrophobicContact CB-CE 3.82Å; E156-M164 HydrophobicContact CB-CG 3.74Å; E156-M164 HydrophobicContact CB-SD 3.68Å; E156-M164 WeakPolarHBondContact O-CG 3.44Å
157	C	97.9	Very high	97	Very high	25 Å²	25	59.1 Å²	59.1	17%	0.169	31%	0.307	C	S	.	.	H	α-helix	trans	-57.2	-33.1	177.3	-54	0	0	0	0	112.2	A152 G155 P161 L165 C172	A152-C157 VanDerWaalsContact CB-SG 3.58Å; G155-C157 VanDerWaalsContact C-N 3.25Å; G155-C157 PolarHBondContact O-N 3.3Å; C157-P161 WeakPolarHBondContact O-CA 3.12Å; C157-P161 WeakPolarHBondContact O-CB 3.18Å; C157-L165 HydrophobicContact CB-CD2 4.34Å; C157-C172 HydrophobicContact CB-CB 3.82Å; C157-C172 WeakPolarHBondContact CB-SG 3.43Å; C157-C172 WeakPolarHBondContact SG-CA 3.42Å; C157-C172 WeakPolarHBondContact SG-CB 3.42Å; C157-C172 CovalentContact SG-SG 2.04Å; C157-C172 PolarHBondContact SG-SG 3.06Å
158	E	96.6	Very high	97	Very high	176 Å²	176	54.6 Å²	54.6	82%	0.822	29%	0.288	S	S	*	.	H	α-helix	trans	-89.8	-36.6	177.3	-64.9	176.5	-167	0	0	112.3	G155 E156	G155-E158 PolarHBondContact O-N 3.16Å; E156-E158 PolarHBondContact O-N 3.06Å
159	R	95.9	Very high	96.9	Very high	179 Å²	179	55.8 Å²	55.8	68%	0.675	29%	0.293	S	S	*	.	H	α-helix	trans	-79.8	-31.3	-176.8	-63.3	-165.9	-169.6	93.3	8.4	114	T154 G155 E156 P161	T154-R159 PolarHBondContact O-NH1 2.94Å; G155-R159 PolarHBondContact O-N 3.27Å; E156-R159 PolarHBondContact O-N 3.12Å; E156-R159 IonicContact OE1-NH1 3.89Å; R159-P161 VanDerWaalsContact C-CD 3.47Å
160	N	96	Very high	96.8	Very high	63 Å²	63	58 Å²	58	34%	0.337	29%	0.292	S	S	.	.	S	Bend	trans	-133.2	59.7	-177.7	-174	11	0	0	0	110.9	E156 F162 W163 M164	E156-N160 CarbonylContact O-C 3.13Å; E156-N160 WeakPolarHBondContact O-CA 3.43Å; E156-N160 PolarHBondContact O-N 2.95Å; N160-F162 VanDerWaalsContact C-N 3.35Å; N160-F162 PolarHBondContact O-N 3.3Å; N160-W163 WeakPolarHBondContact ND2-CB 3.43Å; N160-W163 PolarHBondContact O-N 2.88Å; N160-W163 WeakPolarHBondContact OD1-CB 3.43Å; N160-M164 HydrophobicContact CB-CG 4.29Å; N160-M164 VanDerWaalsContact O-CB 3.27Å; N160-M164 WeakPolarHBondContact O-CB 3.42Å; N160-M164 VanDerWaalsContact O-CG 3.28Å; N160-M164 WeakPolarHBondContact O-CG 3.38Å; N160-M164 PolarHBondContact O-N 3.39Å
161	P	96.7	Very high	96.7	Very high	19 Å²	19	54.2 Å²	54.2	12%	0.123	28%	0.275	C	S	.	.	H	α-helix	trans	-67.8	-34.3	-169.8	28.8	-36.3	0	0	0	112.5	C157 R159 W163 M164 L165 V182	C157-P161 WeakPolarHBondContact O-CA 3.12Å; C157-P161 WeakPolarHBondContact O-CB 3.18Å; R159-P161 VanDerWaalsContact C-CD 3.47Å; P161-W163 PolarHBondContact O-N 3.21Å; P161-M164 PolarHBondContact O-N 3.03Å; P161-L165 HydrophobicContact CB-CD1 3.9Å; P161-L165 HydrophobicContact CB-CG 4.1Å; P161-L165 WeakPolarHBondContact O-CB 3.44Å; P161-L165 WeakPolarHBondContact O-CG 3.47Å; P161-L165 PolarHBondContact O-N 3.27Å; P161-V182 HydrophobicContact CB-CG1 3.7Å; P161-V182 HydrophobicContact CG-CG1 4.06Å
162	F	96.5	Very high	96.7	Very high	24 Å²	24	51.6 Å²	51.6	11%	0.105	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-28.7	-179.6	-68.9	-75.2	0	0	0	113.1	N160 P166 V179 V182 Q199 F200 T203	N160-F162 VanDerWaalsContact C-N 3.35Å; N160-F162 PolarHBondContact O-N 3.3Å; F162-P166 WeakPolarHBondContact O-CD 3.09Å; F162-P166 WeakPolarHBondContact O-CG 3.46Å; F162-V179 HydrophobicContact CB-CG2 4.43Å; F162-V179 HydrophobicContact CD1-CG2 3.98Å; F162-V182 HydrophobicContact CD1-CB 3.78Å; F162-V182 HydrophobicContact CD1-CG1 3.69Å; F162-V182 HydrophobicContact CD2-CG1 4.43Å; F162-V182 HydrophobicContact CE1-CB 3.89Å; F162-V182 HydrophobicContact CE1-CG1 3.78Å; F162-V182 HydrophobicContact CG-CG1 4.03Å; F162-V182 HydrophobicContact CZ-CG1 4.21Å; F162-Q199 HydrophobicContact CE1-CB 4.33Å; F162-Q199 HydrophobicContact CE1-CG 4.2Å; F162-Q199 HydrophobicContact CZ-CG 4.1Å; F162-F200 HydrophobicContact CB-CD2 4.4Å; F162-F200 HydrophobicContact CD1-CB 3.85Å; F162-F200 HydrophobicContact CD1-CD2 4.41Å; F162-F200 AromaticContact CD2-CD2 3.85Å; F162-F200 HydrophobicContact CD2-CD2 3.85Å; F162-F200 HydrophobicContact CE1-CB 3.74Å; F162-F200 HydrophobicContact CE2-CB 4.46Å; F162-F200 HydrophobicContact CE2-CD2 4.19Å; F162-F200 HydrophobicContact CG-CB 4.27Å; F162-F200 AromaticContact CG-CD2 3.97Å; F162-F200 HydrophobicContact CG-CD2 3.97Å; F162-F200 HydrophobicContact CZ-CB 4.06Å; F162-T203 HydrophobicContact CE2-CG2 4.41Å
163	W	95.8	Very high	96.5	Very high	62 Å²	62	58.6 Å²	58.6	24%	0.235	29%	0.29	C	S	.	.	H	α-helix	trans	-92.6	-48.8	173.6	-169.2	87.2	0	0	0	111.5	H145 W151 N160 P161 P166 N167 C168	H145-W163 HydrophobicContact CB-CH2 4.09Å; W151-W163 AromaticContact CE3-CH2 3.82Å; W151-W163 HydrophobicContact CE3-CH2 3.82Å; W151-W163 AromaticContact CE3-CZ3 3.58Å; W151-W163 HydrophobicContact CE3-CZ3 3.58Å; W151-W163 HydrophobicContact CH2-CH2 4.26Å; W151-W163 AromaticContact CZ3-CH2 3.32Å; W151-W163 HydrophobicContact CZ3-CH2 3.32Å; W151-W163 HydrophobicContact CZ3-CZ2 4.27Å; W151-W163 AromaticContact CZ3-CZ3 3.59Å; W151-W163 HydrophobicContact CZ3-CZ3 3.59Å; N160-W163 WeakPolarHBondContact ND2-CB 3.43Å; N160-W163 PolarHBondContact O-N 2.88Å; N160-W163 WeakPolarHBondContact OD1-CB 3.43Å; P161-W163 PolarHBondContact O-N 3.21Å; W163-P166 WeakPolarHBondContact O-CD 3.32Å; W163-N167 HydrophobicContact CH2-CB 4.33Å; W163-N167 HydrophobicContact CZ2-CB 4.22Å; W163-N167 VanDerWaalsContact O-CB 3.24Å; W163-N167 WeakPolarHBondContact O-CB 3.34Å; W163-N167 PolarHBondContact O-N 2.64Å; W163-N167 PolarHBondContact O-ND2 3.49Å; W163-C168 WeakPolarHBondContact CZ3-SG 3.28Å
164	M	97.7	Very high	96.4	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-69.7	-43.6	-169.9	-71.4	-71.6	-60.1	0	0	113.2	W151 A152 E156 N160 P161 N167 C168 C172	W151-M164 HydrophobicContact CB-CE 3.77Å; W151-M164 HydrophobicContact CB-SD 3.9Å; W151-M164 HydrophobicContact CE3-SD 4.47Å; A152-M164 HydrophobicContact CB-CE 4.15Å; E156-M164 HydrophobicContact CB-CE 3.82Å; E156-M164 HydrophobicContact CB-CG 3.74Å; E156-M164 HydrophobicContact CB-SD 3.68Å; E156-M164 WeakPolarHBondContact O-CG 3.44Å; N160-M164 HydrophobicContact CB-CG 4.29Å; N160-M164 VanDerWaalsContact O-CB 3.27Å; N160-M164 WeakPolarHBondContact O-CB 3.42Å; N160-M164 VanDerWaalsContact O-CG 3.28Å; N160-M164 WeakPolarHBondContact O-CG 3.38Å; N160-M164 PolarHBondContact O-N 3.39Å; P161-M164 PolarHBondContact O-N 3.03Å; M164-N167 PolarHBondContact O-N 3.47Å; M164-C168 HydrophobicContact CE-CB 3.84Å; M164-C168 CarbonylContact O-C 3.49Å; M164-C168 VanDerWaalsContact O-CA 3.29Å; M164-C168 WeakPolarHBondContact O-CA 3.27Å; M164-C168 VanDerWaalsContact O-CB 3.28Å; M164-C168 WeakPolarHBondContact O-CB 3.36Å; M164-C168 PolarHBondContact O-N 3.17Å; M164-C168 HydrophobicContact SD-CB 4.31Å; M164-C172 WeakPolarHBondContact CE-SG 3.35Å
165	L	96.1	Very high	96.2	Very high	26 Å²	26	51.2 Å²	51.2	14%	0.136	24%	0.241	C	C	.	.	H	α-helix	trans	-65.5	-44.3	-174.8	-57.4	-175.1	0	0	0	113	C157 P161 Q169 C172 S174 M177 V182	C157-L165 HydrophobicContact CB-CD2 4.34Å; P161-L165 HydrophobicContact CB-CD1 3.9Å; P161-L165 HydrophobicContact CB-CG 4.1Å; P161-L165 WeakPolarHBondContact O-CB 3.44Å; P161-L165 WeakPolarHBondContact O-CG 3.47Å; P161-L165 PolarHBondContact O-N 3.27Å; L165-Q169 VanDerWaalsContact O-CG 3.31Å; L165-Q169 WeakPolarHBondContact O-CG 3.46Å; L165-C172 HydrophobicContact CD2-CB 3.81Å; L165-S174 WeakPolarHBondContact CA-OG 3.29Å; L165-S174 WeakPolarHBondContact O-CB 3.43Å; L165-S174 PolarHBondContact O-OG 2.67Å; L165-M177 HydrophobicContact CB-CE 4.22Å; L165-M177 HydrophobicContact CB-SD 4.29Å; L165-M177 HydrophobicContact CD1-CE 3.67Å; L165-M177 HydrophobicContact CD1-SD 4.17Å; L165-V182 HydrophobicContact CB-CG2 4.12Å; L165-V182 HydrophobicContact CD1-CG1 4.26Å; L165-V182 HydrophobicContact CD1-CG2 4.16Å
166	P	94.9	Very high	96	Very high	17 Å²	17	51.7 Å²	51.7	11%	0.11	25%	0.246	C	C	.	.	H	α-helix	trans	-78.8	-25.6	176.6	26.7	-32.8	0	0	0	114.4	F162 W163 Q169 M177	F162-P166 WeakPolarHBondContact O-CD 3.09Å; F162-P166 WeakPolarHBondContact O-CG 3.46Å; W163-P166 WeakPolarHBondContact O-CD 3.32Å; P166-Q169 WeakPolarHBondContact O-CG 3.44Å; P166-Q169 PolarHBondContact O-NE2 3.5Å; P166-M177 WeakPolarHBondContact CA-O 3.46Å
167	N	95.5	Very high	95.8	Very high	39 Å²	39	50.3 Å²	50.3	21%	0.209	24%	0.24	C	C	.	.	H	α-helix	trans	-101.5	-33.5	-174.2	-65	-81.2	0	0	0	114.1	Q43 S144 W163 M164	Q43-N167 PolarHBondContact NE2-ND2 3.21Å; Q43-N167 VanDerWaalsContact NE2-ND2 3.12Å; S144-N167 WeakPolarHBondContact CB-O 3.38Å; S144-N167 PolarHBondContact N-O 2.96Å; S144-N167 PolarHBondContact OG-O 3.42Å; W163-N167 HydrophobicContact CH2-CB 4.33Å; W163-N167 HydrophobicContact CZ2-CB 4.22Å; W163-N167 VanDerWaalsContact O-CB 3.24Å; W163-N167 WeakPolarHBondContact O-CB 3.34Å; W163-N167 PolarHBondContact O-N 2.64Å; W163-N167 PolarHBondContact O-ND2 3.49Å; M164-N167 PolarHBondContact O-N 3.47Å
168	C	97.1	Very high	95.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-108.2	47.3	179.7	-63.7	0	0	0	0	110.8	D143 C148 W163 M164 K170 S171 C172	D143-C168 VanDerWaalsContact OD1-CA 3.31Å; D143-C168 WeakPolarHBondContact OD1-CA 3.43Å; C148-C168 WeakPolarHBondContact CA-SG 3.08Å; C148-C168 HydrophobicContact CB-CB 3.49Å; C148-C168 VanDerWaalsContact CB-CB 3.49Å; C148-C168 WeakPolarHBondContact CB-SG 3.47Å; C148-C168 WeakPolarHBondContact SG-CA 3.37Å; C148-C168 WeakPolarHBondContact SG-CB 3.33Å; C148-C168 CovalentContact SG-SG 2.03Å; C148-C168 PolarHBondContact SG-SG 2.81Å; W163-C168 WeakPolarHBondContact CZ3-SG 3.28Å; M164-C168 HydrophobicContact CE-CB 3.84Å; M164-C168 CarbonylContact O-C 3.49Å; M164-C168 VanDerWaalsContact O-CA 3.29Å; M164-C168 WeakPolarHBondContact O-CA 3.27Å; M164-C168 VanDerWaalsContact O-CB 3.28Å; M164-C168 WeakPolarHBondContact O-CB 3.36Å; M164-C168 PolarHBondContact O-N 3.17Å; M164-C168 HydrophobicContact SD-CB 4.31Å; C168-K170 PolarHBondContact O-N 3.02Å; C168-S171 PolarHBondContact O-N 2.04Å; C168-C172 WeakPolarHBondContact O-CB 3.47Å; C168-C172 PolarHBondContact O-N 3.12Å
169	Q	95.7	Very high	95.5	Very high	24 Å²	24	44.6 Å²	44.6	11%	0.112	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-39.2	-169	-68.6	-177.6	34.4	0	0	113.1	L165 P166 Y173 S174	L165-Q169 VanDerWaalsContact O-CG 3.31Å; L165-Q169 WeakPolarHBondContact O-CG 3.46Å; P166-Q169 WeakPolarHBondContact O-CG 3.44Å; P166-Q169 PolarHBondContact O-NE2 3.5Å; Q169-Y173 CarbonylContact O-C 3.5Å; Q169-Y173 WeakPolarHBondContact O-CA 3.5Å; Q169-Y173 PolarHBondContact O-N 3.49Å; Q169-S174 WeakPolarHBondContact CA-OG 3.4Å; Q169-S174 PolarHBondContact O-N 3.19Å
170	K	95.3	Very high	95.5	Very high	127 Å²	127	37 Å²	37	55%	0.552	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-46.1	-179.3	-176.1	179.7	179.6	179.6	0	111	D143 C168 C172 Y173	D143-K170 PolarHBondContact OD1-N 2.76Å; C168-K170 PolarHBondContact O-N 3.02Å; K170-C172 VanDerWaalsContact C-N 3.33Å; K170-C172 PolarHBondContact O-N 3.47Å; K170-Y173 PolarHBondContact O-N 2.85Å
171	S	96.5	Very high	95.4	Very high	22 Å²	22	38 Å²	38	15%	0.154	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-29.3	-179.6	-74.3	0	0	0	0	113.3	D143 S149 A152 C168	D143-S171 VanDerWaalsContact CG-OG 3.27Å; D143-S171 WeakPolarHBondContact OD1-CB 3.48Å; D143-S171 PolarHBondContact OD1-N 3.46Å; D143-S171 PolarHBondContact OD1-OG 3.2Å; D143-S171 PolarHBondContact OD2-OG 2.82Å; S149-S171 VanDerWaalsContact CA-OG 3.23Å; S149-S171 WeakPolarHBondContact CA-OG 3.36Å; S149-S171 PolarHBondContact N-OG 3.26Å; S149-S171 VanDerWaalsContact N-OG 3.12Å; A152-S171 WeakPolarHBondContact CB-O 3.47Å; C168-S171 PolarHBondContact O-N 2.04Å
172	C	97.1	Very high	95.4	Very high	17 Å²	17	37.1 Å²	37.1	12%	0.115	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	4.2	177.4	-64.5	0	0	0	0	114.5	C157 M164 L165 C168 K170 S174	C157-C172 HydrophobicContact CB-CB 3.82Å; C157-C172 WeakPolarHBondContact CB-SG 3.43Å; C157-C172 WeakPolarHBondContact SG-CA 3.42Å; C157-C172 WeakPolarHBondContact SG-CB 3.42Å; C157-C172 CovalentContact SG-SG 2.04Å; C157-C172 PolarHBondContact SG-SG 3.06Å; M164-C172 WeakPolarHBondContact CE-SG 3.35Å; L165-C172 HydrophobicContact CD2-CB 3.81Å; C168-C172 WeakPolarHBondContact O-CB 3.47Å; C168-C172 PolarHBondContact O-N 3.12Å; K170-C172 VanDerWaalsContact C-N 3.33Å; K170-C172 PolarHBondContact O-N 3.47Å; C172-S174 PolarHBondContact O-N 3.45Å
173	Y	95.1	Very high	95.3	Very high	168 Å²	168	40.8 Å²	40.8	66%	0.659	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	32.4	-176.9	-53.6	-77.2	0	0	0	114.3	H134 Q169 K170	H134-Y173 AromaticContact CD2-CD1 3.9Å; H134-Y173 AromaticContact NE2-CD1 3.58Å; Q169-Y173 CarbonylContact O-C 3.5Å; Q169-Y173 WeakPolarHBondContact O-CA 3.5Å; Q169-Y173 PolarHBondContact O-N 3.49Å; K170-Y173 PolarHBondContact O-N 2.85Å
174	S	94.7	Very high	95.2	Very high	4 Å²	4	40 Å²	40	3%	0.028	22%	0.216	C	C	.	.			trans	-111.7	35.4	-174.2	52.8	0	0	0	0	112.5	L165 Q169 C172 G176 M177	L165-S174 WeakPolarHBondContact CA-OG 3.29Å; L165-S174 WeakPolarHBondContact O-CB 3.43Å; L165-S174 PolarHBondContact O-OG 2.67Å; Q169-S174 WeakPolarHBondContact CA-OG 3.4Å; Q169-S174 PolarHBondContact O-N 3.19Å; C172-S174 PolarHBondContact O-N 3.45Å; S174-G176 PolarHBondContact O-N 2.02Å; S174-M177 WeakPolarHBondContact CB-SD 3.43Å; S174-M177 WeakPolarHBondContact O-CB 3.3Å; S174-M177 WeakPolarHBondContact O-CG 3.44Å; S174-M177 PolarHBondContact O-N 3.2Å
175	C	94.9	Very high	95	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.034	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	125.6	178.9	-59	0	0	0	0	111.9	C141 M177	C141-C175 HydrophobicContact CB-CB 3.65Å; C141-C175 WeakPolarHBondContact CB-SG 3.49Å; C141-C175 WeakPolarHBondContact SG-CA 3.27Å; C141-C175 WeakPolarHBondContact SG-CB 3.23Å; C141-C175 CovalentContact SG-SG 2.02Å; C141-C175 PolarHBondContact SG-SG 3.02Å; C175-M177 VanDerWaalsContact C-N 3.28Å; C175-M177 PolarHBondContact O-N 3.41Å
176	G	91.5	Very high	94.8	Very high	32 Å²	32	44.3 Å²	44.3	33%	0.33	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	6.4	178.6	0	0	0	0	0	115.7	S174	S174-G176 PolarHBondContact O-N 2.02Å
177	M	93.5	Very high	94.7	Very high	26 Å²	26	49.5 Å²	49.5	13%	0.128	29%	0.286	C	S	.	.			trans	-75.9	138.3	167.8	-68.2	-171.8	64.8	0	0	110.9	P131 L165 P166 S174 C175 D181 V182	P131-M177 HydrophobicContact CB-SD 3.92Å; P131-M177 HydrophobicContact CG-SD 4.31Å; L165-M177 HydrophobicContact CB-CE 4.22Å; L165-M177 HydrophobicContact CB-SD 4.29Å; L165-M177 HydrophobicContact CD1-CE 3.67Å; L165-M177 HydrophobicContact CD1-SD 4.17Å; P166-M177 WeakPolarHBondContact CA-O 3.46Å; S174-M177 WeakPolarHBondContact CB-SD 3.43Å; S174-M177 WeakPolarHBondContact O-CB 3.3Å; S174-M177 WeakPolarHBondContact O-CG 3.44Å; S174-M177 PolarHBondContact O-N 3.2Å; C175-M177 VanDerWaalsContact C-N 3.28Å; C175-M177 PolarHBondContact O-N 3.41Å; M177-D181 HydrophobicContact CE-CB 4.06Å; M177-V182 HydrophobicContact CE-CG2 4.28Å
178	T	94.4	Very high	94.5	Very high	66 Å²	66	51 Å²	51	41%	0.405	30%	0.297	S	S	.	.			trans	-104.4	171.7	168.5	66.9	0	0	0	0	109.9	G180 D181	T178-G180 PolarHBondContact O-N 2.85Å; T178-G180 PolarHBondContact OG1-N 3.42Å; T178-D181 WeakPolarHBondContact CB-OD2 3.21Å; T178-D181 PolarHBondContact N-OD2 3.14Å; T178-D181 PolarHBondContact O-N 3.23Å; T178-D181 PolarHBondContact OG1-OD2 2.97Å
179	V	95.2	Very high	94.2	Very high	14 Å²	14	60.4 Å²	60.4	9%	0.085	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-62.3	-31.7	175.2	70	0	0	0	0	111.7	F162 D181 V182 E196 L197	F162-V179 HydrophobicContact CB-CG2 4.43Å; F162-V179 HydrophobicContact CD1-CG2 3.98Å; V179-D181 PolarHBondContact O-N 3.01Å; V179-V182 WeakPolarHBondContact O-CB 3.5Å; V179-V182 PolarHBondContact O-N 3.09Å; V179-E196 HydrophobicContact CG1-CB 3.8Å; V179-E196 HydrophobicContact CG1-CG 3.51Å; V179-E196 WeakPolarHBondContact CG1-OE1 3.39Å; V179-E196 WeakPolarHBondContact CG1-OE2 3.47Å; V179-L197 HydrophobicContact CG1-CD2 4.06Å; V179-L197 HydrophobicContact CG2-CD2 3.77Å
180	G	95.2	Very high	94	Very high	20 Å²	20	62.7 Å²	62.7	21%	0.206	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-71.1	-11.1	176.7	0	0	0	0	0	115.3	T178 T184 E196	T178-G180 PolarHBondContact O-N 2.85Å; T178-G180 PolarHBondContact OG1-N 3.42Å; G180-T184 WeakPolarHBondContact O-CB 3.07Å; G180-T184 PolarHBondContact O-OG1 3.41Å; G180-E196 WeakPolarHBondContact CA-O 3.48Å
181	D	95	Very high	93.9	Very high	85 Å²	85	57.2 Å²	57.2	46%	0.455	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-90.8	-15.8	173.8	-58.5	-59.4	0	0	0	112.2	M177 T178 V179 N183	M177-D181 HydrophobicContact CE-CB 4.06Å; T178-D181 WeakPolarHBondContact CB-OD2 3.21Å; T178-D181 PolarHBondContact N-OD2 3.14Å; T178-D181 PolarHBondContact O-N 3.23Å; T178-D181 PolarHBondContact OG1-OD2 2.97Å; V179-D181 PolarHBondContact O-N 3.01Å; D181-N183 PolarHBondContact O-N 2.82Å
182	V	96.1	Very high	93.8	Very high	0 Å²	0	62 Å²	62	0%	0	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	112.8	-171.2	179.4	0	0	0	0	110.6	P161 F162 L165 M177 V179 T184 Q199	P161-V182 HydrophobicContact CB-CG1 3.7Å; P161-V182 HydrophobicContact CG-CG1 4.06Å; F162-V182 HydrophobicContact CD1-CB 3.78Å; F162-V182 HydrophobicContact CD1-CG1 3.69Å; F162-V182 HydrophobicContact CD2-CG1 4.43Å; F162-V182 HydrophobicContact CE1-CB 3.89Å; F162-V182 HydrophobicContact CE1-CG1 3.78Å; F162-V182 HydrophobicContact CG-CG1 4.03Å; F162-V182 HydrophobicContact CZ-CG1 4.21Å; L165-V182 HydrophobicContact CB-CG2 4.12Å; L165-V182 HydrophobicContact CD1-CG1 4.26Å; L165-V182 HydrophobicContact CD1-CG2 4.16Å; M177-V182 HydrophobicContact CE-CG2 4.28Å; V179-V182 WeakPolarHBondContact O-CB 3.5Å; V179-V182 PolarHBondContact O-N 3.09Å; V182-T184 PolarHBondContact O-N 3.41Å; V182-T184 VanDerWaalsContact O-N 3.09Å; V182-Q199 VanDerWaalsContact O-CG 3.23Å; V182-Q199 WeakPolarHBondContact O-CG 3.15Å
183	N	94.7	Very high	93.7	Very high	101 Å²	101	62.9 Å²	62.9	54%	0.54	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	20.7	177.6	-58.4	-40	0	0	0	114.2	D181 Q199	D181-N183 PolarHBondContact O-N 2.82Å; N183-Q199 HydrophobicContact CB-CG 4.23Å; N183-Q199 VanDerWaalsContact O-CD 3.25Å; N183-Q199 WeakPolarHBondContact O-CG 3.41Å; N183-Q199 PolarHBondContact O-NE2 2.03Å
184	T	93.7	Very high	93.6	Very high	44 Å²	44	56.2 Å²	56.2	27%	0.27	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-71.3	133.8	-177.4	-60.8	0	0	0	0	110.2	G180 V182 L220	G180-T184 WeakPolarHBondContact O-CB 3.07Å; G180-T184 PolarHBondContact O-OG1 3.41Å; V182-T184 PolarHBondContact O-N 3.41Å; V182-T184 VanDerWaalsContact O-N 3.09Å; T184-L220 HydrophobicContact CG2-CD2 4.41Å
185	P	93.7	Very high	93.7	Very high	39 Å²	39	58.6 Å²	58.6	25%	0.253	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-58.4	155.1	177.4	-24.9	33.8	0	0	0	112.1	Q199 L220	P185-Q199 VanDerWaalsContact CD-OE1 3.27Å; P185-L220 HydrophobicContact CB-CD1 4.35Å; P185-L220 HydrophobicContact CB-CG 4.18Å; P185-L220 HydrophobicContact CG-CG 4.47Å
186	A	91.8	Very high	93.7	Very high	80 Å²	80	62 Å²	62	66%	0.661	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-56.1	139.2	173.9	0	0	0	0	0	110.3	V188	A186-V188 PolarHBondContact O-N 2.87Å
187	P	91.8	Very high	93.9	Very high	126 Å²	126	61.6 Å²	61.6	82%	0.818	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-55.3	137.4	179.4	-26.3	34.2	0	0	0	112.5
188	V	92	Very high	94.1	Very high	72 Å²	72	60.3 Å²	60.3	44%	0.436	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-117.2	132	173.4	175.3	0	0	0	0	107.9	A186 G190 C191 L220 C225	A186-V188 PolarHBondContact O-N 2.87Å; V188-G190 PolarHBondContact O-N 3.18Å; V188-C191 HydrophobicContact CB-CB 3.95Å; V188-C191 HydrophobicContact CG1-CB 4.13Å; V188-C191 PolarHBondContact O-N 2.97Å; V188-C191 VanDerWaalsContact O-O 3.09Å; V188-L220 HydrophobicContact CB-CD1 4.17Å; V188-L220 HydrophobicContact CG2-CD1 4Å; V188-C225 HydrophobicContact CG1-CB 4.44Å
189	E	91.1	Very high	94.3	Very high	197 Å²	197	58.4 Å²	58.4	92%	0.921	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	126	-178.4	-171	-178	175	0	0	111.3	C191	E189-C191 VanDerWaalsContact C-N 3.25Å; E189-C191 PolarHBondContact O-N 3.34Å
190	G	90	Very high	94.4	Very high	72 Å²	72	59.5 Å²	59.5	74%	0.742	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	5.3	-178.7	0	0	0	0	0	115.3	V188	V188-G190 PolarHBondContact O-N 3.18Å
191	C	94	Very high	94.5	Very high	11 Å²	11	60.6 Å²	60.6	7%	0.074	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-122.4	133.4	178.7	-172.5	0	0	0	0	110.9	V188 E189 Q219 L220 C225	V188-C191 HydrophobicContact CB-CB 3.95Å; V188-C191 HydrophobicContact CG1-CB 4.13Å; V188-C191 PolarHBondContact O-N 2.97Å; V188-C191 VanDerWaalsContact O-O 3.09Å; E189-C191 VanDerWaalsContact C-N 3.25Å; E189-C191 PolarHBondContact O-N 3.34Å; C191-Q219 VanDerWaalsContact SG-CB 3.53Å; C191-L220 PolarHBondContact SG-N 3.04Å; C191-C225 HydrophobicContact CB-CB 3.47Å; C191-C225 VanDerWaalsContact CB-CB 3.47Å; C191-C225 WeakPolarHBondContact CB-SG 3.23Å; C191-C225 WeakPolarHBondContact SG-CA 3.41Å; C191-C225 WeakPolarHBondContact SG-CB 3.49Å; C191-C225 CovalentContact SG-SG 2.02Å; C191-C225 PolarHBondContact SG-SG 2.95Å
192	F	93.4	Very high	94.6	Very high	122 Å²	122	57.5 Å²	57.5	54%	0.535	34%	0.339	S	S	.	.			trans	-147.6	164.1	-176.1	59.1	-85.7	0	0	0	111.5	Q219 L220	F192-Q219 PolarHBondContact O-N 2.86Å; F192-L220 PolarHBondContact O-N 3.47Å
193	N	95	Very high	94.6	Very high	36 Å²	36	61.5 Å²	61.5	19%	0.193	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-91.6	130.5	161.8	-72.7	-32.1	0	0	0	108	D195 C198 S221	N193-D195 VanDerWaalsContact C-N 3.31Å; N193-C198 HydrophobicContact CB-CB 3.62Å; N193-C198 WeakPolarHBondContact OD1-CB 3.29Å; N193-S221 PolarHBondContact ND2-OG 3Å; N193-S221 WeakPolarHBondContact OD1-CB 3.2Å; N193-S221 PolarHBondContact OD1-N 2.86Å; N193-S221 PolarHBondContact OD1-OG 3.27Å
194	G	94.6	Very high	94.6	Very high	29 Å²	29	60.2 Å²	60.2	30%	0.299	36%	0.356	S	S	.	.	S	Bend	trans	-77.2	-18.9	174.3	0	0	0	0	0	113.4	Y217	G194-Y217 PolarHBondContact N-O 3.46Å; G194-Y217 PolarHBondContact O-OH 2.9Å
195	D	95.8	Very high	94.8	Very high	53 Å²	53	58.9 Å²	58.9	28%	0.283	35%	0.351	S	S	.	.	S	Bend	trans	-127	151.1	179	-155.3	-76.4	0	0	0	111.6	N193 L197 C198 W201 Y217	N193-D195 VanDerWaalsContact C-N 3.31Å; D195-L197 PolarHBondContact O-N 3.27Å; D195-L197 WeakPolarHBondContact OD1-CB 3.28Å; D195-L197 PolarHBondContact OD1-N 3.3Å; D195-C198 PolarHBondContact N-SG 3.31Å; D195-C198 WeakPolarHBondContact O-CB 3.24Å; D195-C198 PolarHBondContact O-N 3.43Å; D195-C198 PolarHBondContact O-SG 3.49Å; D195-W201 HydrophobicContact CB-CH2 3.93Å; D195-W201 HydrophobicContact CB-CZ3 3.53Å; D195-W201 VanDerWaalsContact CG-CH2 3.47Å; D195-Y217 HydrophobicContact CB-CE1 3.95Å
196	E	95.7	Very high	94.9	Very high	78 Å²	78	58 Å²	58	36%	0.364	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-24.6	172.1	63.3	172.1	-164.7	0	0	112.8	Q47 V179 G180	Q47-E196 PolarHBondContact NE2-OE1 3.41Å; V179-E196 HydrophobicContact CG1-CB 3.8Å; V179-E196 HydrophobicContact CG1-CG 3.51Å; V179-E196 WeakPolarHBondContact CG1-OE1 3.39Å; V179-E196 WeakPolarHBondContact CG1-OE2 3.47Å; G180-E196 WeakPolarHBondContact CA-O 3.48Å
197	L	96	Very high	95.2	Very high	22 Å²	22	55.4 Å²	55.4	12%	0.115	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-1.6	178.5	-63.6	177.7	0	0	0	114.1	V40 V179 D195 Q199 F200 W201	V40-L197 HydrophobicContact CG1-CD1 3.62Å; V40-L197 HydrophobicContact CG1-CD2 3.81Å; V40-L197 HydrophobicContact CG1-CG 4.39Å; V179-L197 HydrophobicContact CG1-CD2 4.06Å; V179-L197 HydrophobicContact CG2-CD2 3.77Å; D195-L197 PolarHBondContact O-N 3.27Å; D195-L197 WeakPolarHBondContact OD1-CB 3.28Å; D195-L197 PolarHBondContact OD1-N 3.3Å; L197-Q199 PolarHBondContact O-N 3.12Å; L197-Q199 VanDerWaalsContact O-N 3.12Å; L197-F200 HydrophobicContact CD2-CB 4.48Å; L197-F200 WeakPolarHBondContact O-CA 3.41Å; L197-F200 WeakPolarHBondContact O-CB 3.35Å; L197-F200 PolarHBondContact O-N 3.32Å; L197-W201 HydrophobicContact CB-CD2 4Å; L197-W201 HydrophobicContact CB-CE3 4.2Å; L197-W201 HydrophobicContact CB-CH2 3.88Å; L197-W201 HydrophobicContact CB-CZ2 3.69Å; L197-W201 HydrophobicContact CB-CZ3 4.1Å; L197-W201 HydrophobicContact CD1-CH2 4.44Å; L197-W201 HydrophobicContact CD1-CZ2 3.82Å; L197-W201 HydrophobicContact CG-CZ2 4.41Å; L197-W201 PolarHBondContact O-N 2.75Å
198	C	97.6	Very high	95.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-52	-39.8	-179.7	-82	0	0	0	0	113.3	N193 D195 A202 C218 S221	N193-C198 HydrophobicContact CB-CB 3.62Å; N193-C198 WeakPolarHBondContact OD1-CB 3.29Å; D195-C198 PolarHBondContact N-SG 3.31Å; D195-C198 WeakPolarHBondContact O-CB 3.24Å; D195-C198 PolarHBondContact O-N 3.43Å; D195-C198 PolarHBondContact O-SG 3.49Å; C198-A202 WeakPolarHBondContact O-CB 3.31Å; C198-A202 PolarHBondContact O-N 3.01Å; C198-C218 WeakPolarHBondContact CA-SG 3.32Å; C198-C218 HydrophobicContact CB-CB 3.52Å; C198-C218 WeakPolarHBondContact CB-SG 3.35Å; C198-C218 WeakPolarHBondContact SG-CA 3.42Å; C198-C218 WeakPolarHBondContact SG-CB 3.28Å; C198-C218 CovalentContact SG-SG 2.04Å; C198-C218 PolarHBondContact SG-SG 2.93Å; C198-S221 VanDerWaalsContact C-OG 3.28Å; C198-S221 WeakPolarHBondContact CB-OG 3.49Å; C198-S221 WeakPolarHBondContact O-CB 3.22Å
199	Q	97.2	Very high	95.6	Very high	25 Å²	25	59.9 Å²	59.9	12%	0.117	32%	0.324	C	S	.	.	H	α-helix	trans	-72.1	-35	179.2	-176.4	52.9	36.8	0	0	112.4	F162 V182 N183 P185 L197 T203 S221	F162-Q199 HydrophobicContact CE1-CB 4.33Å; F162-Q199 HydrophobicContact CE1-CG 4.2Å; F162-Q199 HydrophobicContact CZ-CG 4.1Å; V182-Q199 VanDerWaalsContact O-CG 3.23Å; V182-Q199 WeakPolarHBondContact O-CG 3.15Å; N183-Q199 HydrophobicContact CB-CG 4.23Å; N183-Q199 VanDerWaalsContact O-CD 3.25Å; N183-Q199 WeakPolarHBondContact O-CG 3.41Å; N183-Q199 PolarHBondContact O-NE2 2.03Å; P185-Q199 VanDerWaalsContact CD-OE1 3.27Å; L197-Q199 PolarHBondContact O-N 3.12Å; L197-Q199 VanDerWaalsContact O-N 3.12Å; Q199-T203 WeakPolarHBondContact O-CB 3.36Å; Q199-T203 PolarHBondContact O-N 3.46Å; Q199-T203 PolarHBondContact O-OG1 3.35Å; Q199-S221 WeakPolarHBondContact CA-OG 3.44Å; Q199-S221 PolarHBondContact N-OG 3.03Å; Q199-S221 PolarHBondContact OE1-OG 3.29Å
200	F	97.1	Very high	95.8	Very high	37 Å²	37	53.5 Å²	53.5	16%	0.162	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-50.8	172.5	169.2	-103.5	0	0	0	110.8	V40 F162 L197 A202 T203 I204	V40-F200 HydrophobicContact CG2-CD1 4.43Å; V40-F200 HydrophobicContact CG2-CE1 3.86Å; V40-F200 HydrophobicContact CG2-CE2 4.33Å; V40-F200 HydrophobicContact CG2-CZ 3.8Å; F162-F200 HydrophobicContact CB-CD2 4.4Å; F162-F200 HydrophobicContact CD1-CB 3.85Å; F162-F200 HydrophobicContact CD1-CD2 4.41Å; F162-F200 AromaticContact CD2-CD2 3.85Å; F162-F200 HydrophobicContact CD2-CD2 3.85Å; F162-F200 HydrophobicContact CE1-CB 3.74Å; F162-F200 HydrophobicContact CE2-CB 4.46Å; F162-F200 HydrophobicContact CE2-CD2 4.19Å; F162-F200 HydrophobicContact CG-CB 4.27Å; F162-F200 AromaticContact CG-CD2 3.97Å; F162-F200 HydrophobicContact CG-CD2 3.97Å; F162-F200 HydrophobicContact CZ-CB 4.06Å; L197-F200 HydrophobicContact CD2-CB 4.48Å; L197-F200 WeakPolarHBondContact O-CA 3.41Å; L197-F200 WeakPolarHBondContact O-CB 3.35Å; L197-F200 PolarHBondContact O-N 3.32Å; F200-A202 VanDerWaalsContact C-N 3.34Å; F200-A202 PolarHBondContact O-N 3.02Å; F200-T203 WeakPolarHBondContact O-CB 3.5Å; F200-T203 PolarHBondContact O-N 3.4Å; F200-I204 HydrophobicContact CE1-CD1 3.96Å; F200-I204 HydrophobicContact CE2-CG2 4.1Å; F200-I204 HydrophobicContact CZ-CD1 4.22Å; F200-I204 HydrophobicContact CZ-CG2 4.16Å; F200-I204 PolarHBondContact O-N 2.89Å; F200-I204 VanDerWaalsContact O-N 3.16Å
201	W	97.2	Very high	96	Very high	44 Å²	44	52.6 Å²	52.6	17%	0.167	28%	0.277	C	S	.	.	H	α-helix	trans	-60.7	-41.2	177.9	-66.5	-32.7	0	0	0	112.6	D195 L197 T203 I204 G205 E206 W213 M214	D195-W201 HydrophobicContact CB-CH2 3.93Å; D195-W201 HydrophobicContact CB-CZ3 3.53Å; D195-W201 VanDerWaalsContact CG-CH2 3.47Å; L197-W201 HydrophobicContact CB-CD2 4Å; L197-W201 HydrophobicContact CB-CE3 4.2Å; L197-W201 HydrophobicContact CB-CH2 3.88Å; L197-W201 HydrophobicContact CB-CZ2 3.69Å; L197-W201 HydrophobicContact CB-CZ3 4.1Å; L197-W201 HydrophobicContact CD1-CH2 4.44Å; L197-W201 HydrophobicContact CD1-CZ2 3.82Å; L197-W201 HydrophobicContact CG-CZ2 4.41Å; L197-W201 PolarHBondContact O-N 2.75Å; W201-T203 VanDerWaalsContact C-N 3.28Å; W201-T203 PolarHBondContact O-N 2.6Å; W201-I204 VanDerWaalsContact O-CG1 3.29Å; W201-I204 WeakPolarHBondContact O-CG1 3.04Å; W201-I204 PolarHBondContact O-N 3.27Å; W201-G205 PolarHBondContact O-N 2.91Å; W201-E206 HydrophobicContact CB-CB 3.91Å; W201-E206 HydrophobicContact CB-CG 3.76Å; W201-E206 HydrophobicContact CG-CG 4.3Å; W201-E206 VanDerWaalsContact O-CB 3.27Å; W201-E206 WeakPolarHBondContact O-CB 3.48Å; W201-E206 WeakPolarHBondContact O-CG 3.48Å; W201-E206 PolarHBondContact O-N 3.47Å; W201-W213 HydrophobicContact CE3-CH2 4.01Å; W201-W213 AromaticContact CE3-CZ3 3.76Å; W201-W213 HydrophobicContact CE3-CZ3 3.76Å; W201-W213 HydrophobicContact CH2-CH2 4.05Å; W201-W213 AromaticContact CZ3-CH2 3.4Å; W201-W213 HydrophobicContact CZ3-CH2 3.4Å; W201-W213 AromaticContact CZ3-CZ3 3.66Å; W201-W213 HydrophobicContact CZ3-CZ3 3.66Å; W201-M214 HydrophobicContact CB-CE 3.66Å; W201-M214 HydrophobicContact CB-SD 4Å; W201-M214 HydrophobicContact CE3-SD 4.3Å
202	A	97.3	Very high	95.9	Very high	20 Å²	20	63.3 Å²	63.3	17%	0.165	32%	0.316	C	S	.	.	H	α-helix	trans	-59	-41.4	173.2	0	0	0	0	0	111.9	C198 F200 I204 G205 M214	C198-A202 WeakPolarHBondContact O-CB 3.31Å; C198-A202 PolarHBondContact O-N 3.01Å; F200-A202 VanDerWaalsContact C-N 3.34Å; F200-A202 PolarHBondContact O-N 3.02Å; A202-I204 VanDerWaalsContact C-N 3.31Å; A202-I204 PolarHBondContact O-N 2.76Å; A202-G205 PolarHBondContact O-N 2.87Å; A202-G205 VanDerWaalsContact O-N 3.17Å; A202-M214 HydrophobicContact CB-CE 4.44Å
203	T	96	Very high	96	Very high	84 Å²	84	60.6 Å²	60.6	52%	0.515	30%	0.302	S	S	.	.	H	α-helix	trans	-64.8	-31.7	179.7	-56.7	0	0	0	0	112.9	F162 Q199 F200 W201 G205	F162-T203 HydrophobicContact CE2-CG2 4.41Å; Q199-T203 WeakPolarHBondContact O-CB 3.36Å; Q199-T203 PolarHBondContact O-N 3.46Å; Q199-T203 PolarHBondContact O-OG1 3.35Å; F200-T203 WeakPolarHBondContact O-CB 3.5Å; F200-T203 PolarHBondContact O-N 3.4Å; W201-T203 VanDerWaalsContact C-N 3.28Å; W201-T203 PolarHBondContact O-N 2.6Å; T203-G205 VanDerWaalsContact C-N 3.33Å
204	I	95.8	Very high	96	Very high	73 Å²	73	59 Å²	59	37%	0.374	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	9.4	177.7	68.6	173.5	0	0	0	113.6	F200 W201 A202 E206 K209	F200-I204 HydrophobicContact CE1-CD1 3.96Å; F200-I204 HydrophobicContact CE2-CG2 4.1Å; F200-I204 HydrophobicContact CZ-CD1 4.22Å; F200-I204 HydrophobicContact CZ-CG2 4.16Å; F200-I204 PolarHBondContact O-N 2.89Å; F200-I204 VanDerWaalsContact O-N 3.16Å; W201-I204 VanDerWaalsContact O-CG1 3.29Å; W201-I204 WeakPolarHBondContact O-CG1 3.04Å; W201-I204 PolarHBondContact O-N 3.27Å; A202-I204 VanDerWaalsContact C-N 3.31Å; A202-I204 PolarHBondContact O-N 2.76Å; I204-E206 HydrophobicContact CD1-CG 4.13Å; I204-E206 HydrophobicContact CG1-CG 3.93Å; I204-K209 PolarHBondContact O-NZ 3.16Å
205	G	96.8	Very high	96	Very high	17 Å²	17	60.8 Å²	60.8	18%	0.175	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	18	172.8	0	0	0	0	0	115.5	W201 A202 T203 C207 E208 K209	W201-G205 PolarHBondContact O-N 2.91Å; A202-G205 PolarHBondContact O-N 2.87Å; A202-G205 VanDerWaalsContact O-N 3.17Å; T203-G205 VanDerWaalsContact C-N 3.33Å; G205-C207 PolarHBondContact O-N 3.06Å; G205-E208 PolarHBondContact O-N 2.96Å; G205-K209 PolarHBondContact O-N 2.97Å
206	E	97.3	Very high	95.8	Very high	19 Å²	19	61.1 Å²	61.1	9%	0.089	30%	0.297	C	S	.	.	H	α-helix	trans	-65.8	-26.5	-179.3	-66.9	-53.2	132	0	0	113.1	W201 I204 E208 K209 N210 M214	W201-E206 HydrophobicContact CB-CB 3.91Å; W201-E206 HydrophobicContact CB-CG 3.76Å; W201-E206 HydrophobicContact CG-CG 4.3Å; W201-E206 VanDerWaalsContact O-CB 3.27Å; W201-E206 WeakPolarHBondContact O-CB 3.48Å; W201-E206 WeakPolarHBondContact O-CG 3.48Å; W201-E206 PolarHBondContact O-N 3.47Å; I204-E206 HydrophobicContact CD1-CG 4.13Å; I204-E206 HydrophobicContact CG1-CG 3.93Å; E206-E208 PolarHBondContact O-N 3.06Å; E206-E208 VanDerWaalsContact O-N 3.11Å; E206-K209 PolarHBondContact O-N 2.95Å; E206-K209 IonicContact OE1-NZ 3.86Å; E206-N210 CarbonylContact O-C 3.6Å; E206-N210 WeakPolarHBondContact O-CA 3.4Å; E206-N210 PolarHBondContact O-N 3.37Å; E206-N210 PolarHBondContact OE2-ND2 3.11Å; E206-M214 HydrophobicContact CB-CE 3.89Å; E206-M214 HydrophobicContact CB-CG 3.78Å; E206-M214 HydrophobicContact CB-SD 3.77Å; E206-M214 WeakPolarHBondContact O-CG 3.41Å
207	C	97.2	Very high	95.7	Very high	26 Å²	26	62.1 Å²	62.1	18%	0.176	30%	0.298	C	S	.	.	H	α-helix	trans	-57.2	-28.9	176	-56.6	0	0	0	0	112.7	G205 P211 C222	G205-C207 PolarHBondContact O-N 3.06Å; C207-P211 WeakPolarHBondContact O-CA 3.49Å; C207-P211 WeakPolarHBondContact O-CB 3.42Å; C207-C222 HydrophobicContact CB-CB 3.82Å; C207-C222 WeakPolarHBondContact CB-SG 3.04Å; C207-C222 WeakPolarHBondContact SG-CA 3.48Å; C207-C222 WeakPolarHBondContact SG-CB 3.39Å; C207-C222 CovalentContact SG-SG 2.04Å; C207-C222 PolarHBondContact SG-SG 3.43Å
208	E	96.2	Very high	95.8	Very high	168 Å²	168	61.1 Å²	61.1	79%	0.785	29%	0.292	S	S	*	.	H	α-helix	trans	-95.6	-38.7	-179.4	-64	162.6	175.9	0	0	111.9	G205 E206 P211	G205-E208 PolarHBondContact O-N 2.96Å; E206-E208 PolarHBondContact O-N 3.06Å; E206-E208 VanDerWaalsContact O-N 3.11Å; E208-P211 WeakPolarHBondContact O-CD 3Å
209	K	96.8	Very high	95.7	Very high	125 Å²	125	62.6 Å²	62.6	54%	0.543	30%	0.299	S	S	.	.	H	α-helix	trans	-73.3	-40.5	179.7	-65.6	168.7	-178.1	163.5	0	112.2	I204 G205 E206 P211	I204-K209 PolarHBondContact O-NZ 3.16Å; G205-K209 PolarHBondContact O-N 2.97Å; E206-K209 PolarHBondContact O-N 2.95Å; E206-K209 IonicContact OE1-NZ 3.86Å; K209-P211 WeakPolarHBondContact O-CD 3.47Å
210	N	94.6	Very high	95.6	Very high	63 Å²	63	62 Å²	62	34%	0.337	30%	0.297	S	S	.	.	S	Bend	trans	-125.6	54.5	-174.4	-73.1	-40.7	0	0	0	112.1	E206 R212 W213 M214	E206-N210 CarbonylContact O-C 3.6Å; E206-N210 WeakPolarHBondContact O-CA 3.4Å; E206-N210 PolarHBondContact O-N 3.37Å; E206-N210 PolarHBondContact OE2-ND2 3.11Å; N210-R212 VanDerWaalsContact C-N 3.31Å; N210-R212 PolarHBondContact O-N 3Å; N210-W213 PolarHBondContact O-N 3.43Å; N210-M214 HydrophobicContact CB-CG 4.18Å; N210-M214 WeakPolarHBondContact O-CB 3.42Å; N210-M214 WeakPolarHBondContact O-CG 3.48Å; N210-M214 PolarHBondContact O-N 3.12Å
211	P	94.2	Very high	95.5	Very high	53 Å²	53	60.7 Å²	60.7	34%	0.344	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-34.7	-169	25.7	-34.9	0	0	0	112.8	C207 E208 K209 W213 K215	C207-P211 WeakPolarHBondContact O-CA 3.49Å; C207-P211 WeakPolarHBondContact O-CB 3.42Å; E208-P211 WeakPolarHBondContact O-CD 3Å; K209-P211 WeakPolarHBondContact O-CD 3.47Å; P211-W213 VanDerWaalsContact C-N 3.28Å; P211-W213 PolarHBondContact O-N 2.92Å; P211-K215 HydrophobicContact CB-CD 3.89Å; P211-K215 WeakPolarHBondContact O-CB 3.17Å; P211-K215 WeakPolarHBondContact O-CD 3.29Å; P211-K215 WeakPolarHBondContact O-CG 3.23Å; P211-K215 PolarHBondContact O-N 3.45Å
212	R	93.1	Very high	95.5	Very high	236 Å²	236	59.7 Å²	59.7	89%	0.891	29%	0.292	S	S	*	.	H	α-helix	trans	-63.2	-34	-179.7	-75.9	-174.5	175	168.1	-1.5	113.2	N210 V216	N210-R212 VanDerWaalsContact C-N 3.31Å; N210-R212 PolarHBondContact O-N 3Å; R212-V216 WeakPolarHBondContact O-CG2 3.46Å
213	W	93.7	Very high	95.4	Very high	65 Å²	65	65 Å²	65	25%	0.246	32%	0.318	C	S	.	.	H	α-helix	trans	-90.7	-51.1	-179.7	-170.4	93.4	0	0	0	109.9	W27 W201 N210 P211 K215 V216 Y217 C218	W27-W213 HydrophobicContact CH2-CZ2 4.05Å; W27-W213 AromaticContact CH2-NE1 3.94Å; W27-W213 HydrophobicContact CZ3-CZ2 4.11Å; W201-W213 HydrophobicContact CE3-CH2 4.01Å; W201-W213 AromaticContact CE3-CZ3 3.76Å; W201-W213 HydrophobicContact CE3-CZ3 3.76Å; W201-W213 HydrophobicContact CH2-CH2 4.05Å; W201-W213 AromaticContact CZ3-CH2 3.4Å; W201-W213 HydrophobicContact CZ3-CH2 3.4Å; W201-W213 AromaticContact CZ3-CZ3 3.66Å; W201-W213 HydrophobicContact CZ3-CZ3 3.66Å; N210-W213 PolarHBondContact O-N 3.43Å; P211-W213 VanDerWaalsContact C-N 3.28Å; P211-W213 PolarHBondContact O-N 2.92Å; W213-K215 PolarHBondContact O-N 2.98Å; W213-V216 PolarHBondContact O-N 3.3Å; W213-V216 VanDerWaalsContact O-N 3.13Å; W213-Y217 AromaticContact CH2-CD1 3.2Å; W213-Y217 HydrophobicContact CH2-CD1 3.2Å; W213-Y217 AromaticContact CH2-CE1 3.76Å; W213-Y217 HydrophobicContact CH2-CE1 3.76Å; W213-Y217 HydrophobicContact CH2-CG 4.04Å; W213-Y217 AromaticContact CZ2-CD1 3.25Å; W213-Y217 HydrophobicContact CZ2-CD1 3.25Å; W213-Y217 AromaticContact CZ2-CE1 3.69Å; W213-Y217 HydrophobicContact CZ2-CE1 3.69Å; W213-Y217 AromaticContact CZ2-CG 3.79Å; W213-Y217 HydrophobicContact CZ2-CG 3.79Å; W213-Y217 AromaticContact CZ3-CD1 3.93Å; W213-Y217 HydrophobicContact CZ3-CD1 3.93Å; W213-Y217 WeakPolarHBondContact O-CB 3.04Å; W213-Y217 PolarHBondContact O-N 2.83Å; W213-C218 VanDerWaalsContact CZ3-SG 3.54Å
214	M	95.8	Very high	95.3	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-62.8	-39.8	-174.8	-71.3	-65.5	-62.3	0	0	113.1	W201 A202 E206 N210 V216 C218 C222	W201-M214 HydrophobicContact CB-CE 3.66Å; W201-M214 HydrophobicContact CB-SD 4Å; W201-M214 HydrophobicContact CE3-SD 4.3Å; A202-M214 HydrophobicContact CB-CE 4.44Å; E206-M214 HydrophobicContact CB-CE 3.89Å; E206-M214 HydrophobicContact CB-CG 3.78Å; E206-M214 HydrophobicContact CB-SD 3.77Å; E206-M214 WeakPolarHBondContact O-CG 3.41Å; N210-M214 HydrophobicContact CB-CG 4.18Å; N210-M214 WeakPolarHBondContact O-CB 3.42Å; N210-M214 WeakPolarHBondContact O-CG 3.48Å; N210-M214 PolarHBondContact O-N 3.12Å; M214-V216 PolarHBondContact O-N 3.29Å; M214-C218 HydrophobicContact CE-CB 3.7Å; M214-C218 CarbonylContact O-C 3.48Å; M214-C218 WeakPolarHBondContact O-CA 3.31Å; M214-C218 WeakPolarHBondContact O-CB 3.3Å; M214-C218 PolarHBondContact O-N 3.04Å; M214-C218 HydrophobicContact SD-CB 4.14Å; M214-C222 VanDerWaalsContact CE-SG 3.52Å
215	K	94.1	Very high	94.9	Very high	67 Å²	67	59 Å²	59	29%	0.291	29%	0.285	S	S	.	.	H	α-helix	trans	-72.5	-16	-179.9	-66.8	169.4	154.9	-131	0	113.9	P211 W213 Q219 S224 E227	P211-K215 HydrophobicContact CB-CD 3.89Å; P211-K215 WeakPolarHBondContact O-CB 3.17Å; P211-K215 WeakPolarHBondContact O-CD 3.29Å; P211-K215 WeakPolarHBondContact O-CG 3.23Å; P211-K215 PolarHBondContact O-N 3.45Å; W213-K215 PolarHBondContact O-N 2.98Å; K215-Q219 WeakPolarHBondContact O-CG 3.48Å; K215-S224 VanDerWaalsContact CA-OG 3.24Å; K215-S224 WeakPolarHBondContact CA-OG 3.39Å; K215-S224 PolarHBondContact O-OG 3.5Å; K215-E227 WeakPolarHBondContact CD-OE2 3.47Å; K215-E227 WeakPolarHBondContact CE-OE2 3.47Å; K215-E227 IonicContact NZ-OE1 2.73Å; K215-E227 PolarHBondContact NZ-OE1 3.49Å; K215-E227 IonicContact NZ-OE2 2.88Å; K215-E227 PolarHBondContact NZ-OE2 2.77Å
216	V	92.2	Very high	93.9	Very high	60 Å²	60	65.5 Å²	65.5	36%	0.364	32%	0.316	S	S	.	.	H	α-helix	trans	-100.6	-44.6	-179.1	-176.5	0	0	0	0	110.3	R212 W213 M214 Q219 Q229	R212-V216 WeakPolarHBondContact O-CG2 3.46Å; W213-V216 PolarHBondContact O-N 3.3Å; W213-V216 VanDerWaalsContact O-N 3.13Å; M214-V216 PolarHBondContact O-N 3.29Å; V216-Q219 WeakPolarHBondContact O-CG 3.44Å; V216-Q219 PolarHBondContact O-NE2 3.45Å; V216-Q229 VanDerWaalsContact CG2-OE1 3.22Å
217	Y	94.5	Very high	92.5	Very high	99 Å²	99	69 Å²	69	39%	0.388	33%	0.332	S	S	.	.	H	α-helix	trans	-94.6	-33.8	-173.6	-160.6	-105	0	0	0	112.7	G194 D195 W213	G194-Y217 PolarHBondContact N-O 3.46Å; G194-Y217 PolarHBondContact O-OH 2.9Å; D195-Y217 HydrophobicContact CB-CE1 3.95Å; W213-Y217 AromaticContact CH2-CD1 3.2Å; W213-Y217 HydrophobicContact CH2-CD1 3.2Å; W213-Y217 AromaticContact CH2-CE1 3.76Å; W213-Y217 HydrophobicContact CH2-CE1 3.76Å; W213-Y217 HydrophobicContact CH2-CG 4.04Å; W213-Y217 AromaticContact CZ2-CD1 3.25Å; W213-Y217 HydrophobicContact CZ2-CD1 3.25Å; W213-Y217 AromaticContact CZ2-CE1 3.69Å; W213-Y217 HydrophobicContact CZ2-CE1 3.69Å; W213-Y217 AromaticContact CZ2-CG 3.79Å; W213-Y217 HydrophobicContact CZ2-CG 3.79Å; W213-Y217 AromaticContact CZ3-CD1 3.93Å; W213-Y217 HydrophobicContact CZ3-CD1 3.93Å; W213-Y217 WeakPolarHBondContact O-CB 3.04Å; W213-Y217 PolarHBondContact O-N 2.83Å
218	C	96.6	Very high	90.3	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-111.5	44.4	179.6	-64.3	0	0	0	0	111.7	C198 W213 M214 L220 S221 C222	C198-C218 WeakPolarHBondContact CA-SG 3.32Å; C198-C218 HydrophobicContact CB-CB 3.52Å; C198-C218 WeakPolarHBondContact CB-SG 3.35Å; C198-C218 WeakPolarHBondContact SG-CA 3.42Å; C198-C218 WeakPolarHBondContact SG-CB 3.28Å; C198-C218 CovalentContact SG-SG 2.04Å; C198-C218 PolarHBondContact SG-SG 2.93Å; W213-C218 VanDerWaalsContact CZ3-SG 3.54Å; M214-C218 HydrophobicContact CE-CB 3.7Å; M214-C218 CarbonylContact O-C 3.48Å; M214-C218 WeakPolarHBondContact O-CA 3.31Å; M214-C218 WeakPolarHBondContact O-CB 3.3Å; M214-C218 PolarHBondContact O-N 3.04Å; M214-C218 HydrophobicContact SD-CB 4.14Å; C218-L220 VanDerWaalsContact C-N 3.26Å; C218-L220 PolarHBondContact O-N 3.32Å; C218-S221 PolarHBondContact O-N 3.49Å; C218-C222 PolarHBondContact O-N 3.46Å
219	Q	95.4	Very high	88.2	Confident	32 Å²	32	73.8 Å²	73.8	15%	0.15	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-42.3	-170.8	-74.2	169.3	55.7	0	0	113	C191 F192 K215 V216 N223 S224	C191-Q219 VanDerWaalsContact SG-CB 3.53Å; F192-Q219 PolarHBondContact O-N 2.86Å; K215-Q219 WeakPolarHBondContact O-CG 3.48Å; V216-Q219 WeakPolarHBondContact O-CG 3.44Å; V216-Q219 PolarHBondContact O-NE2 3.45Å; Q219-N223 CarbonylContact O-C 3.53Å; Q219-N223 PolarHBondContact O-N 3.27Å; Q219-S224 VanDerWaalsContact CA-OG 3.31Å; Q219-S224 WeakPolarHBondContact CA-OG 3.41Å; Q219-S224 PolarHBondContact O-N 3.19Å
220	L	95.2	Very high	85.5	Confident	13 Å²	13	75.4 Å²	75.4	7%	0.068	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-49	-177.5	-172.4	65	0	0	0	111	T184 P185 V188 C191 F192 C218 C222 N223	T184-L220 HydrophobicContact CG2-CD2 4.41Å; P185-L220 HydrophobicContact CB-CD1 4.35Å; P185-L220 HydrophobicContact CB-CG 4.18Å; P185-L220 HydrophobicContact CG-CG 4.47Å; V188-L220 HydrophobicContact CB-CD1 4.17Å; V188-L220 HydrophobicContact CG2-CD1 4Å; C191-L220 PolarHBondContact SG-N 3.04Å; F192-L220 PolarHBondContact O-N 3.47Å; C218-L220 VanDerWaalsContact C-N 3.26Å; C218-L220 PolarHBondContact O-N 3.32Å; L220-C222 VanDerWaalsContact C-N 3.32Å; L220-C222 PolarHBondContact O-N 3.49Å; L220-N223 PolarHBondContact O-N 3.42Å
221	S	96.5	Very high	82.6	Confident	8 Å²	8	79.1 Å²	79.1	6%	0.056	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-33	-180	-53.6	0	0	0	0	113.1	N193 C198 Q199 C218	N193-S221 PolarHBondContact ND2-OG 3Å; N193-S221 WeakPolarHBondContact OD1-CB 3.2Å; N193-S221 PolarHBondContact OD1-N 2.86Å; N193-S221 PolarHBondContact OD1-OG 3.27Å; C198-S221 VanDerWaalsContact C-OG 3.28Å; C198-S221 WeakPolarHBondContact CB-OG 3.49Å; C198-S221 WeakPolarHBondContact O-CB 3.22Å; Q199-S221 WeakPolarHBondContact CA-OG 3.44Å; Q199-S221 PolarHBondContact N-OG 3.03Å; Q199-S221 PolarHBondContact OE1-OG 3.29Å; C218-S221 PolarHBondContact O-N 3.49Å
222	C	96.5	Very high	82	Confident	23 Å²	23	80.4 Å²	80.4	16%	0.155	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	4.9	177.3	-66.3	0	0	0	0	114.2	C207 M214 C218 L220 S224	C207-C222 HydrophobicContact CB-CB 3.82Å; C207-C222 WeakPolarHBondContact CB-SG 3.04Å; C207-C222 WeakPolarHBondContact SG-CA 3.48Å; C207-C222 WeakPolarHBondContact SG-CB 3.39Å; C207-C222 CovalentContact SG-SG 2.04Å; C207-C222 PolarHBondContact SG-SG 3.43Å; M214-C222 VanDerWaalsContact CE-SG 3.52Å; C218-C222 PolarHBondContact O-N 3.46Å; L220-C222 VanDerWaalsContact C-N 3.32Å; L220-C222 PolarHBondContact O-N 3.49Å; C222-S224 PolarHBondContact O-N 3.33Å
223	N	94.1	Very high	81.4	Confident	133 Å²	133	72.2 Å²	72.2	71%	0.711	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	32.6	-176.5	-61.3	-63.5	0	0	0	114	Q219 L220	Q219-N223 CarbonylContact O-C 3.53Å; Q219-N223 PolarHBondContact O-N 3.27Å; L220-N223 PolarHBondContact O-N 3.42Å
224	S	94	Very high	80.7	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.007	41%	0.41	C	S	.	.			trans	-100.6	15.7	-179.5	62.8	0	0	0	0	113.3	K215 Q219 C222 N226 E227	K215-S224 VanDerWaalsContact CA-OG 3.24Å; K215-S224 WeakPolarHBondContact CA-OG 3.39Å; K215-S224 PolarHBondContact O-OG 3.5Å; Q219-S224 VanDerWaalsContact CA-OG 3.31Å; Q219-S224 WeakPolarHBondContact CA-OG 3.41Å; Q219-S224 PolarHBondContact O-N 3.19Å; C222-S224 PolarHBondContact O-N 3.33Å; S224-N226 PolarHBondContact O-N 2.77Å; S224-E227 WeakPolarHBondContact O-CB 3.05Å; S224-E227 PolarHBondContact O-N 3.35Å
225	C	89.3	Confident	79.9	Confident	28 Å²	28	76.8 Å²	76.8	19%	0.189	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-28	178.2	-55.7	0	0	0	0	114.9	V188 C191	V188-C225 HydrophobicContact CG1-CB 4.44Å; C191-C225 HydrophobicContact CB-CB 3.47Å; C191-C225 VanDerWaalsContact CB-CB 3.47Å; C191-C225 WeakPolarHBondContact CB-SG 3.23Å; C191-C225 WeakPolarHBondContact SG-CA 3.41Å; C191-C225 WeakPolarHBondContact SG-CB 3.49Å; C191-C225 CovalentContact SG-SG 2.02Å; C191-C225 PolarHBondContact SG-SG 2.95Å
226	N	75.7	Confident	79	Confident	155 Å²	155	77.4 Å²	77.4	83%	0.829	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-1	-179.3	-65.1	-47.1	0	0	0	113.4	S224 K228	S224-N226 PolarHBondContact O-N 2.77Å; N226-K228 PolarHBondContact O-N 3.41Å
227	E	66	Low	78.1	Confident	91 Å²	91	78.5 Å²	78.5	43%	0.425	45%	0.448	S	S	.	.			trans	-80.5	69.4	167.1	-58.4	-173	172.6	0	0	107.2	K215 S224 Q229	K215-E227 WeakPolarHBondContact CD-OE2 3.47Å; K215-E227 WeakPolarHBondContact CE-OE2 3.47Å; K215-E227 IonicContact NZ-OE1 2.73Å; K215-E227 PolarHBondContact NZ-OE1 3.49Å; K215-E227 IonicContact NZ-OE2 2.88Å; K215-E227 PolarHBondContact NZ-OE2 2.77Å; S224-E227 WeakPolarHBondContact O-CB 3.05Å; S224-E227 PolarHBondContact O-N 3.35Å; E227-Q229 PolarHBondContact O-N 3.17Å
228	K	52.1	Low	76.9	Confident	186 Å²	186	77.1 Å²	77.1	81%	0.809	45%	0.452	S	S	*	.			trans	-48.5	116	165.9	-72.9	-175.7	178.6	-176.4	0	106.3	N226 V230	N226-K228 PolarHBondContact O-N 3.41Å; K228-V230 WeakPolarHBondContact O-CG2 3.32Å; K228-V230 PolarHBondContact O-N 3.36Å
229	Q	52.3	Low	75.4	Confident	110 Å²	110	83 Å²	83	51%	0.514	49%	0.486	S	S	.	.			trans	-37.2	98.5	-179.6	-59.4	-65.4	-46.4	0	0	109.3	V216 E227 G231	V216-Q229 VanDerWaalsContact CG2-OE1 3.22Å; E227-Q229 PolarHBondContact O-N 3.17Å; Q229-G231 PolarHBondContact O-N 3.21Å
230	V	39.9	Very low	73.7	Confident	158 Å²	158	87.3 Å²	87.3	96%	0.958	52%	0.515	S	S	*	.			trans	-78.3	85.9	170.2	179.5	0	0	0	0	104.3	K228	K228-V230 WeakPolarHBondContact O-CG2 3.32Å; K228-V230 PolarHBondContact O-N 3.36Å
231	G	33.4	Very low	71.8	Confident	141 Å²	141	94 Å²	94	100%	1.454	56%	0.555	S	S	*	*			trans	-132.1	0	170.9	0	0	0	0	0	108.6	Q229	Q229-G231 PolarHBondContact O-N 3.21Å

Retrieved 231 of 231 residues in 97.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).