A0A077ZM59_TRITR Loading...

acetate--CoA ligase

AlphaFold DB , UniProt , Accession A0A077ZM59, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 232 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.5	Very low	44.2	Very low	234 Å²	234	122.3 Å²	122.3	100%	1.153	70%	0.699	S	S	*	*				0	105.2	0	-70.1	169.3	-172.1	0	0	104.9	D3	M1-D3 PolarHBondContact O-N 3.29Å
2	S	40	Very low	44.3	Very low	94 Å²	94	122.6 Å²	122.6	66%	0.657	70%	0.704	S	S	*	*			trans	-76.5	107.9	177.1	51.4	0	0	0	0	107	H4	S2-H4 VanDerWaalsContact C-N 3.3Å; S2-H4 PolarHBondContact O-N 3.34Å
3	D	40	Very low	44.6	Very low	149 Å²	149	118.7 Å²	118.7	80%	0.797	71%	0.707	S	S	*	*			trans	-62.5	97.4	171.1	-68	-34	0	0	0	107.4	M1 V5	M1-D3 PolarHBondContact O-N 3.29Å; D3-V5 PolarHBondContact O-N 2.6Å
4	H	41.1	Very low	44.8	Very low	164 Å²	164	115.9 Å²	115.9	76%	0.759	72%	0.715	S	S	*	*			trans	-68.3	88.3	169.4	-81.1	-79.1	0	0	0	107.1	S2 P6	S2-H4 VanDerWaalsContact C-N 3.3Å; S2-H4 PolarHBondContact O-N 3.34Å; H4-P6 VanDerWaalsContact O-CD 3.29Å; H4-P6 WeakPolarHBondContact O-CD 3.26Å
5	V	46.9	Very low	45.1	Very low	68 Å²	68	118.1 Å²	118.1	41%	0.412	71%	0.714	S	S	.	*			trans	-64.1	117.9	161.6	-178.1	0	0	0	0	106	D3 L7 E37	D3-V5 PolarHBondContact O-N 2.6Å; V5-L7 PolarHBondContact O-N 3.05Å; V5-E37 HydrophobicContact CG2-CG 4.26Å
6	P	42.1	Very low	45.6	Very low	120 Å²	120	117.9 Å²	117.9	78%	0.779	72%	0.716	S	S	*	*			trans	-65.7	108.3	179.4	-14	28.2	0	0	0	108.2	H4	H4-P6 VanDerWaalsContact O-CD 3.29Å; H4-P6 WeakPolarHBondContact O-CD 3.26Å
7	L	52.1	Low	46.4	Very low	67 Å²	67	122.4 Å²	122.4	35%	0.351	73%	0.727	S	S	.	*			trans	-64.1	138.6	170.5	-61.3	177.7	0	0	0	108.2	V5 S9 L20 W36	V5-L7 PolarHBondContact O-N 3.05Å; L7-S9 PolarHBondContact O-N 3.44Å; L7-L20 HydrophobicContact CD1-CD1 4.49Å; L7-W36 HydrophobicContact CD2-CB 3.58Å; L7-W36 HydrophobicContact CD2-CD2 3.68Å; L7-W36 HydrophobicContact CD2-CG 3.08Å; L7-W36 VanDerWaalsContact CD2-NE1 3.31Å
8	A	52.3	Low	47.4	Very low	69 Å²	69	123.9 Å²	123.9	57%	0.57	73%	0.726	S	S	*	*			trans	-55.1	108.3	179.5	0	0	0	0	0	110.3	F10	A8-F10 PolarHBondContact O-N 3.17Å
9	S	47.1	Very low	49.1	Very low	104 Å²	104	125.6 Å²	125.6	73%	0.727	73%	0.726	S	S	*	*			trans	-77.8	114.1	174.4	57.6	0	0	0	0	108.8	L7 S11	L7-S9 PolarHBondContact O-N 3.44Å; S9-S11 PolarHBondContact O-N 2.66Å
10	F	48.6	Very low	50.5	Low	173 Å²	173	125.6 Å²	125.6	76%	0.759	72%	0.722	S	S	*	*			trans	-81.8	87.7	172.3	-69	-89.3	0	0	0	109.1	A8 V12	A8-F10 PolarHBondContact O-N 3.17Å; F10-V12 PolarHBondContact O-N 3.44Å
11	S	41.9	Very low	52	Low	103 Å²	103	128 Å²	128	72%	0.72	73%	0.725	S	S	*	*			trans	-89	91.7	170.7	54.3	0	0	0	0	109.9	S9 G13	S9-S11 PolarHBondContact O-N 2.66Å; S11-G13 PolarHBondContact O-N 3.47Å
12	V	45.6	Very low	54.3	Low	126 Å²	126	123 Å²	123	76%	0.764	70%	0.702	S	S	*	*			trans	-82.1	103.5	162.6	-176.1	0	0	0	0	106.8	F10 G14	F10-V12 PolarHBondContact O-N 3.44Å; V12-G14 PolarHBondContact O-N 3.03Å
13	G	47.6	Very low	56.6	Low	72 Å²	72	122 Å²	122	74%	0.742	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	57.3	57.7	160.8	0	0	0	0	0	116.6	S11 E15	S11-G13 PolarHBondContact O-N 3.47Å; G13-E15 PolarHBondContact O-N 2.83Å
14	G	47.6	Very low	59	Low	80 Å²	80	118.2 Å²	118.2	83%	0.825	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.3	9.8	160.9	0	0	0	0	0	116.9	V12	V12-G14 PolarHBondContact O-N 3.03Å
15	E	49.7	Very low	61.3	Low	149 Å²	149	118.1 Å²	118.1	70%	0.696	68%	0.676	S	S	*	*			trans	-73.8	142.3	169.3	-72.8	-166.3	169.3	0	0	110.8	G13	G13-E15 PolarHBondContact O-N 2.83Å
16	P	52.8	Low	63.4	Low	115 Å²	115	120.3 Å²	120.3	75%	0.747	68%	0.684	S	S	*	*			trans	-56.1	143.1	-174.5	21.4	-32	0	0	0	111.4	Q18	P16-Q18 PolarHBondContact O-N 3.18Å
17	E	59.5	Low	65.8	Low	193 Å²	193	118.5 Å²	118.5	90%	0.902	67%	0.671	S	S	*	*			trans	-37.3	111.3	-180	-74.7	179.4	154.9	0	0	110.6	E19	E17-E19 PolarHBondContact O-N 3.32Å
18	Q	64.7	Low	67.6	Low	151 Å²	151	118.5 Å²	118.5	71%	0.706	67%	0.669	S	S	*	*			trans	-60.4	114.9	177.7	-73.1	-179	-3.9	0	0	107.9	P16 L20	P16-Q18 PolarHBondContact O-N 3.18Å; Q18-L20 PolarHBondContact O-N 2.67Å
19	E	78.7	Confident	69.4	Low	155 Å²	155	122.6 Å²	122.6	72%	0.724	68%	0.676	S	S	*	*			trans	-56.7	112.8	178	-167.3	175.3	-175.7	0	0	109.1	E17 F21	E17-E19 PolarHBondContact O-N 3.32Å; E19-F21 HydrophobicContact CB-CE2 4.49Å; E19-F21 HydrophobicContact CG-CZ 4.49Å; E19-F21 WeakPolarHBondContact O-CD2 3.08Å; E19-F21 PolarHBondContact O-N 3.08Å
20	L	77.8	Confident	71.6	Confident	125 Å²	125	127.7 Å²	127.7	65%	0.654	68%	0.68	S	S	*	*			trans	-80.1	115.1	-177.5	-73	171.8	0	0	0	110.2	L7 Q18 L22	L7-L20 HydrophobicContact CD1-CD1 4.49Å; Q18-L20 PolarHBondContact O-N 2.67Å; L20-L22 PolarHBondContact O-N 2.92Å
21	F	82.4	Confident	73.7	Confident	178 Å²	178	121.3 Å²	121.3	78%	0.781	66%	0.659	S	S	*	*			trans	-85.3	98.8	173.6	-65.6	-84.1	0	0	0	110.9	E19	E19-F21 HydrophobicContact CB-CE2 4.49Å; E19-F21 HydrophobicContact CG-CZ 4.49Å; E19-F21 WeakPolarHBondContact O-CD2 3.08Å; E19-F21 PolarHBondContact O-N 3.08Å
22	L	82.8	Confident	76	Confident	127 Å²	127	125.1 Å²	125.1	67%	0.665	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-76.2	142.3	177	-62.5	178.2	0	0	0	111.5	L20	L20-L22 PolarHBondContact O-N 2.92Å
23	P	87.4	Confident	78.2	Confident	75 Å²	75	121.5 Å²	121.5	49%	0.487	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-57.8	150.6	172.1	-21.4	31.8	0	0	0	111.2	V27 Q28	P23-V27 HydrophobicContact CB-CB 4.29Å; P23-V27 HydrophobicContact CB-CG1 4.16Å; P23-Q28 HydrophobicContact CB-CG 4.18Å; P23-Q28 PolarHBondContact O-NE2 2.73Å
24	S	90.3	Very high	80.3	Confident	69 Å²	69	120 Å²	120	48%	0.483	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-62.2	151.9	175.7	71.6	0	0	0	0	111.5	I26 V27 Q28	S24-I26 PolarHBondContact O-N 2.96Å; S24-I26 VanDerWaalsContact O-N 3.15Å; S24-V27 WeakPolarHBondContact O-CB 3.43Å; S24-V27 PolarHBondContact O-N 3.05Å; S24-V27 WeakPolarHBondContact OG-CG2 3.47Å; S24-Q28 PolarHBondContact O-N 3.34Å
25	K	89.2	Confident	82.3	Confident	161 Å²	161	119.3 Å²	119.3	70%	0.7	60%	0.602	S	S	*	*	H	α-helix	trans	-53	-38.6	179.9	-70.8	-169.9	175.6	-174.5	0	113.1	V27 Q28 E29	K25-V27 VanDerWaalsContact C-N 3.27Å; K25-V27 PolarHBondContact O-N 3.38Å; K25-Q28 PolarHBondContact O-N 3Å; K25-Q28 VanDerWaalsContact O-N 3.17Å; K25-E29 WeakPolarHBondContact O-CG 3.48Å; K25-E29 PolarHBondContact O-N 2.9Å
26	I	91.7	Very high	84.1	Confident	114 Å²	114	117.3 Å²	117.3	59%	0.585	59%	0.589	S	S	*	*	H	α-helix	trans	-60	-38.5	178	-61.9	171.8	0	0	0	111.4	S24	S24-I26 PolarHBondContact O-N 2.96Å; S24-I26 VanDerWaalsContact O-N 3.15Å
27	V	91.3	Very high	86	Confident	83 Å²	83	115.5 Å²	115.5	50%	0.503	57%	0.57	S	S	.	*	H	α-helix	trans	-72.3	-43.8	176.8	175.3	0	0	0	0	110.2	P23 S24 K25 E29 R30 A31	P23-V27 HydrophobicContact CB-CB 4.29Å; P23-V27 HydrophobicContact CB-CG1 4.16Å; S24-V27 WeakPolarHBondContact O-CB 3.43Å; S24-V27 PolarHBondContact O-N 3.05Å; S24-V27 WeakPolarHBondContact OG-CG2 3.47Å; K25-V27 VanDerWaalsContact C-N 3.27Å; K25-V27 PolarHBondContact O-N 3.38Å; V27-E29 PolarHBondContact O-N 3.38Å; V27-R30 PolarHBondContact O-N 3.28Å; V27-A31 WeakPolarHBondContact O-CB 3.41Å; V27-A31 PolarHBondContact O-N 3.42Å; V27-A31 VanDerWaalsContact O-N 3.08Å
28	Q	89.8	Confident	87.6	Confident	66 Å²	66	110.3 Å²	110.3	31%	0.308	55%	0.545	S	S	.	.	H	α-helix	trans	-59.6	-45.2	-179.9	-64.2	-179.1	19.4	0	0	112.2	P23 S24 K25 R30 A31 S34	P23-Q28 HydrophobicContact CB-CG 4.18Å; P23-Q28 PolarHBondContact O-NE2 2.73Å; S24-Q28 PolarHBondContact O-N 3.34Å; K25-Q28 PolarHBondContact O-N 3Å; K25-Q28 VanDerWaalsContact O-N 3.17Å; Q28-R30 VanDerWaalsContact C-N 3.29Å; Q28-R30 PolarHBondContact O-N 3.24Å; Q28-A31 PolarHBondContact O-N 2.96Å; Q28-S34 WeakPolarHBondContact O-CA 3.15Å; Q28-S34 WeakPolarHBondContact O-CB 3.4Å
29	E	91.1	Very high	89	Confident	156 Å²	156	108.3 Å²	108.3	73%	0.729	53%	0.531	S	S	*	.	H	α-helix	trans	-65.2	-29.1	-178.1	-73.4	171.5	-174	0	0	113.7	K25 V27	K25-E29 WeakPolarHBondContact O-CG 3.48Å; K25-E29 PolarHBondContact O-N 2.9Å; V27-E29 PolarHBondContact O-N 3.38Å
30	R	92.2	Very high	89.8	Confident	211 Å²	211	103.5 Å²	103.5	80%	0.796	51%	0.51	S	S	*	.	H	α-helix	trans	-95.2	-10.4	179.8	-66.2	-177.5	177.7	-178.6	0.4	113.3	V27 Q28	V27-R30 PolarHBondContact O-N 3.28Å; Q28-R30 VanDerWaalsContact C-N 3.29Å; Q28-R30 PolarHBondContact O-N 3.24Å
31	A	93.6	Very high	90.7	Very high	38 Å²	38	102.5 Å²	102.5	31%	0.314	51%	0.505	S	S	.	.	S	Bend	trans	-73.3	143.9	-177	0	0	0	0	0	111.7	V27 Q28 C33	V27-A31 WeakPolarHBondContact O-CB 3.41Å; V27-A31 PolarHBondContact O-N 3.42Å; V27-A31 VanDerWaalsContact O-N 3.08Å; Q28-A31 PolarHBondContact O-N 2.96Å; A31-C33 WeakPolarHBondContact CB-O 3.32Å; A31-C33 PolarHBondContact O-N 3.37Å
32	H	90.2	Very high	91.3	Very high	183 Å²	183	97.5 Å²	97.5	85%	0.847	49%	0.486	S	S	*	.	S	Bend	trans	-64.4	-30.9	171.4	-66.8	-51	0	0	0	112.2	K38	H32-K38 WeakPolarHBondContact O-CE 3.19Å; H32-K38 PolarHBondContact O-NZ 2.99Å
33	C	91.9	Very high	91.9	Very high	51 Å²	51	97.4 Å²	97.4	35%	0.345	48%	0.478	S	S	.	.	S	Bend	trans	-115.9	95.8	170.6	-167.6	0	0	0	0	108.8	A31 Y39	A31-C33 WeakPolarHBondContact CB-O 3.32Å; A31-C33 PolarHBondContact O-N 3.37Å; C33-Y39 VanDerWaalsContact SG-CA 3.55Å; C33-Y39 VanDerWaalsContact SG-CB 3.6Å
34	S	90.9	Very high	92.4	Very high	41 Å²	41	98.7 Å²	98.7	29%	0.287	48%	0.478	S	S	.	.			trans	-90.4	-23.8	-167	52.1	0	0	0	0	114.2	Q28	Q28-S34 WeakPolarHBondContact O-CA 3.15Å; Q28-S34 WeakPolarHBondContact O-CB 3.4Å
35	T	89.6	Confident	92.7	Very high	64 Å²	64	98.5 Å²	98.5	39%	0.393	47%	0.469	S	S	.	.	S	Bend	trans	-134.7	165.9	-179	79	0	0	0	0	110.8	E37 K38 Y39	T35-E37 WeakPolarHBondContact CB-OE2 3.34Å; T35-E37 PolarHBondContact OG1-OE2 3.33Å; T35-K38 PolarHBondContact OG1-N 3.16Å; T35-Y39 PolarHBondContact O-N 2.8Å
36	W	88.1	Confident	93	Very high	107 Å²	107	92 Å²	92	41%	0.405	44%	0.444	S	S	.	.	H	α-helix	trans	-70.5	-38	177.8	-176.2	-103.1	0	0	0	112.5	L7 K38 Y39 I40	L7-W36 HydrophobicContact CD2-CB 3.58Å; L7-W36 HydrophobicContact CD2-CD2 3.68Å; L7-W36 HydrophobicContact CD2-CG 3.08Å; L7-W36 VanDerWaalsContact CD2-NE1 3.31Å; W36-K38 VanDerWaalsContact C-N 3.28Å; W36-K38 PolarHBondContact O-N 2.93Å; W36-Y39 HydrophobicContact CD2-CD1 4.36Å; W36-Y39 HydrophobicContact CE3-CD1 4.05Å; W36-Y39 HydrophobicContact CE3-CG 4.49Å; W36-Y39 AromaticContact CH2-CD1 3.98Å; W36-Y39 HydrophobicContact CH2-CD1 3.98Å; W36-Y39 AromaticContact CH2-CE1 3.93Å; W36-Y39 HydrophobicContact CH2-CE1 3.93Å; W36-Y39 HydrophobicContact CZ2-CD1 4.29Å; W36-Y39 HydrophobicContact CZ2-CE1 4.38Å; W36-Y39 AromaticContact CZ3-CD1 3.84Å; W36-Y39 HydrophobicContact CZ3-CD1 3.84Å; W36-Y39 HydrophobicContact CZ3-CE1 4.12Å; W36-Y39 HydrophobicContact CZ3-CG 4.46Å; W36-Y39 WeakPolarHBondContact O-CA 3.31Å; W36-Y39 VanDerWaalsContact O-CB 3.31Å; W36-Y39 WeakPolarHBondContact O-CB 3.29Å; W36-Y39 PolarHBondContact O-N 2.83Å; W36-I40 VanDerWaalsContact CD1-CD1 3.43Å; W36-I40 HydrophobicContact CG-CD1 4.5Å; W36-I40 VanDerWaalsContact NE1-CD1 3.26Å; W36-I40 PolarHBondContact O-N 2.91Å
37	E	92.9	Very high	93.3	Very high	77 Å²	77	91.5 Å²	91.5	36%	0.36	44%	0.441	S	S	.	.	H	α-helix	trans	-59.7	-44.6	177.3	-57.3	70.5	-149.3	0	0	109.5	V5 T35 Y39 I40 D41	V5-E37 HydrophobicContact CG2-CG 4.26Å; T35-E37 WeakPolarHBondContact CB-OE2 3.34Å; T35-E37 PolarHBondContact OG1-OE2 3.33Å; E37-Y39 VanDerWaalsContact C-N 3.28Å; E37-Y39 PolarHBondContact O-N 3.14Å; E37-I40 PolarHBondContact O-N 2.92Å; E37-I40 VanDerWaalsContact O-N 3.14Å; E37-D41 VanDerWaalsContact O-CG 3.32Å; E37-D41 PolarHBondContact O-N 2.87Å
38	K	93.2	Very high	93.6	Very high	85 Å²	85	93.7 Å²	93.7	37%	0.37	45%	0.45	S	S	.	.	H	α-helix	trans	-62.4	-35.4	175.3	-171	175.9	-173.7	-175.1	0	112.7	H32 T35 W36 L42	H32-K38 WeakPolarHBondContact O-CE 3.19Å; H32-K38 PolarHBondContact O-NZ 2.99Å; T35-K38 PolarHBondContact OG1-N 3.16Å; W36-K38 VanDerWaalsContact C-N 3.28Å; W36-K38 PolarHBondContact O-N 2.93Å; K38-L42 HydrophobicContact CG-CD1 4.33Å; K38-L42 WeakPolarHBondContact O-CB 3.31Å; K38-L42 VanDerWaalsContact O-CG 3.26Å; K38-L42 WeakPolarHBondContact O-CG 3.46Å; K38-L42 PolarHBondContact O-N 2.95Å; K38-L42 VanDerWaalsContact O-N 3.11Å
39	Y	94.3	Very high	93.9	Very high	108 Å²	108	93.5 Å²	93.5	42%	0.424	45%	0.451	S	S	.	.	H	α-helix	trans	-64.3	-47.6	173.8	168	-95.1	0	0	0	110.9	C33 T35 W36 E37 D41 L42 Y43	C33-Y39 VanDerWaalsContact SG-CA 3.55Å; C33-Y39 VanDerWaalsContact SG-CB 3.6Å; T35-Y39 PolarHBondContact O-N 2.8Å; W36-Y39 HydrophobicContact CD2-CD1 4.36Å; W36-Y39 HydrophobicContact CE3-CD1 4.05Å; W36-Y39 HydrophobicContact CE3-CG 4.49Å; W36-Y39 AromaticContact CH2-CD1 3.98Å; W36-Y39 HydrophobicContact CH2-CD1 3.98Å; W36-Y39 AromaticContact CH2-CE1 3.93Å; W36-Y39 HydrophobicContact CH2-CE1 3.93Å; W36-Y39 HydrophobicContact CZ2-CD1 4.29Å; W36-Y39 HydrophobicContact CZ2-CE1 4.38Å; W36-Y39 AromaticContact CZ3-CD1 3.84Å; W36-Y39 HydrophobicContact CZ3-CD1 3.84Å; W36-Y39 HydrophobicContact CZ3-CE1 4.12Å; W36-Y39 HydrophobicContact CZ3-CG 4.46Å; W36-Y39 WeakPolarHBondContact O-CA 3.31Å; W36-Y39 VanDerWaalsContact O-CB 3.31Å; W36-Y39 WeakPolarHBondContact O-CB 3.29Å; W36-Y39 PolarHBondContact O-N 2.83Å; E37-Y39 VanDerWaalsContact C-N 3.28Å; E37-Y39 PolarHBondContact O-N 3.14Å; Y39-D41 VanDerWaalsContact C-N 3.35Å; Y39-D41 PolarHBondContact O-N 2.89Å; Y39-L42 PolarHBondContact O-N 3.03Å; Y39-Y43 WeakPolarHBondContact O-CB 3.15Å; Y39-Y43 PolarHBondContact O-N 3Å
40	I	95.8	Very high	94.1	Very high	55 Å²	55	88.2 Å²	88.2	28%	0.282	43%	0.43	S	S	.	.	H	α-helix	trans	-57	-49.7	177	-69.2	172	0	0	0	109.9	W36 E37 L42 Y43 E44	W36-I40 VanDerWaalsContact CD1-CD1 3.43Å; W36-I40 HydrophobicContact CG-CD1 4.5Å; W36-I40 VanDerWaalsContact NE1-CD1 3.26Å; W36-I40 PolarHBondContact O-N 2.91Å; E37-I40 PolarHBondContact O-N 2.92Å; E37-I40 VanDerWaalsContact O-N 3.14Å; I40-L42 VanDerWaalsContact C-N 3.33Å; I40-L42 PolarHBondContact O-N 3.26Å; I40-Y43 WeakPolarHBondContact O-CB 3.2Å; I40-Y43 PolarHBondContact O-N 2.78Å; I40-Y43 VanDerWaalsContact O-N 3.11Å; I40-E44 HydrophobicContact CG2-CG 4.17Å; I40-E44 WeakPolarHBondContact O-CG 3.47Å; I40-E44 PolarHBondContact O-N 2.88Å
41	D	95.6	Very high	94.2	Very high	103 Å²	103	81.6 Å²	81.6	55%	0.551	41%	0.408	S	S	*	.	H	α-helix	trans	-58.5	-44.3	-179.5	-67.4	-17.4	0	0	0	112.1	E37 Y39 H45	E37-D41 VanDerWaalsContact O-CG 3.32Å; E37-D41 PolarHBondContact O-N 2.87Å; Y39-D41 VanDerWaalsContact C-N 3.35Å; Y39-D41 PolarHBondContact O-N 2.89Å; D41-H45 VanDerWaalsContact O-CB 3.29Å; D41-H45 WeakPolarHBondContact O-CB 3.22Å; D41-H45 PolarHBondContact O-N 3.08Å
42	L	95.4	Very high	94.2	Very high	73 Å²	73	85.4 Å²	85.4	38%	0.382	42%	0.418	S	S	.	.	H	α-helix	trans	-65.4	-40.6	176.8	-73.5	171.1	0	0	0	111.8	K38 Y39 I40 S46 F53	K38-L42 HydrophobicContact CG-CD1 4.33Å; K38-L42 WeakPolarHBondContact O-CB 3.31Å; K38-L42 VanDerWaalsContact O-CG 3.26Å; K38-L42 WeakPolarHBondContact O-CG 3.46Å; K38-L42 PolarHBondContact O-N 2.95Å; K38-L42 VanDerWaalsContact O-N 3.11Å; Y39-L42 PolarHBondContact O-N 3.03Å; I40-L42 VanDerWaalsContact C-N 3.33Å; I40-L42 PolarHBondContact O-N 3.26Å; L42-S46 WeakPolarHBondContact O-CB 3.07Å; L42-S46 PolarHBondContact O-N 2.81Å; L42-F53 HydrophobicContact CD2-CE2 4.16Å
43	Y	96.4	Very high	94.5	Very high	126 Å²	126	78.2 Å²	78.2	49%	0.494	38%	0.384	S	S	.	.	H	α-helix	trans	-63.5	-52.3	177.2	175.6	-100.2	0	0	0	110.8	Y39 I40 H45 S46 I47	Y39-Y43 WeakPolarHBondContact O-CB 3.15Å; Y39-Y43 PolarHBondContact O-N 3Å; I40-Y43 WeakPolarHBondContact O-CB 3.2Å; I40-Y43 PolarHBondContact O-N 2.78Å; I40-Y43 VanDerWaalsContact O-N 3.11Å; Y43-H45 VanDerWaalsContact C-N 3.32Å; Y43-H45 PolarHBondContact O-N 3.36Å; Y43-S46 WeakPolarHBondContact O-CB 3.29Å; Y43-S46 PolarHBondContact O-N 3.44Å; Y43-S46 VanDerWaalsContact O-N 3.08Å; Y43-S46 PolarHBondContact O-OG 2.93Å; Y43-I47 HydrophobicContact CE1-CG1 4.18Å; Y43-I47 HydrophobicContact CE2-CD1 4.29Å; Y43-I47 HydrophobicContact CE2-CG1 4.12Å; Y43-I47 WeakPolarHBondContact O-CG1 3.41Å; Y43-I47 PolarHBondContact O-N 3.1Å; Y43-I47 VanDerWaalsContact O-N 3.11Å
44	E	97.1	Very high	94.8	Very high	101 Å²	101	81.6 Å²	81.6	47%	0.472	39%	0.39	S	S	.	.	H	α-helix	trans	-57.7	-44.3	177.4	-72.4	-173.4	175.4	0	0	111.6	I40 S46 I47 N48	I40-E44 HydrophobicContact CG2-CG 4.17Å; I40-E44 WeakPolarHBondContact O-CG 3.47Å; I40-E44 PolarHBondContact O-N 2.88Å; E44-S46 VanDerWaalsContact C-N 3.32Å; E44-S46 PolarHBondContact O-N 2.94Å; E44-I47 PolarHBondContact O-N 3.29Å; E44-N48 VanDerWaalsContact O-CB 3.31Å; E44-N48 WeakPolarHBondContact O-CB 3.41Å; E44-N48 VanDerWaalsContact O-CG 3.31Å; E44-N48 PolarHBondContact O-N 3.05Å; E44-N48 PolarHBondContact O-ND2 3.21Å
45	H	95.8	Very high	95	Very high	66 Å²	66	80.6 Å²	80.6	31%	0.306	38%	0.383	S	S	.	.	H	α-helix	trans	-62	-40.3	176.3	-176	40.5	0	0	0	112.2	D41 Y43 I47 D49 F53	D41-H45 VanDerWaalsContact O-CB 3.29Å; D41-H45 WeakPolarHBondContact O-CB 3.22Å; D41-H45 PolarHBondContact O-N 3.08Å; Y43-H45 VanDerWaalsContact C-N 3.32Å; Y43-H45 PolarHBondContact O-N 3.36Å; H45-I47 VanDerWaalsContact C-N 3.29Å; H45-I47 PolarHBondContact O-N 2.77Å; H45-D49 CarbonylContact O-C 3.59Å; H45-D49 PolarHBondContact O-N 3.5Å; H45-F53 AromaticContact CD2-CD2 3.57Å
46	S	96.9	Very high	95.2	Very high	25 Å²	25	81.1 Å²	81.1	18%	0.175	39%	0.386	C	S	.	.	H	α-helix	trans	-65.4	-29.5	178.8	79.2	0	0	0	0	113.8	L42 Y43 E44 P50	L42-S46 WeakPolarHBondContact O-CB 3.07Å; L42-S46 PolarHBondContact O-N 2.81Å; Y43-S46 WeakPolarHBondContact O-CB 3.29Å; Y43-S46 PolarHBondContact O-N 3.44Å; Y43-S46 VanDerWaalsContact O-N 3.08Å; Y43-S46 PolarHBondContact O-OG 2.93Å; E44-S46 VanDerWaalsContact C-N 3.32Å; E44-S46 PolarHBondContact O-N 2.94Å; S46-P50 WeakPolarHBondContact O-CA 3.23Å
47	I	97	Very high	95.6	Very high	103 Å²	103	78.5 Å²	78.5	53%	0.528	38%	0.379	S	S	.	.	H	α-helix	trans	-85.5	-45.2	178.8	-62.3	-59.2	0	0	0	111.2	Y43 E44 H45	Y43-I47 HydrophobicContact CE1-CG1 4.18Å; Y43-I47 HydrophobicContact CE2-CD1 4.29Å; Y43-I47 HydrophobicContact CE2-CG1 4.12Å; Y43-I47 WeakPolarHBondContact O-CG1 3.41Å; Y43-I47 PolarHBondContact O-N 3.1Å; Y43-I47 VanDerWaalsContact O-N 3.11Å; E44-I47 PolarHBondContact O-N 3.29Å; H45-I47 VanDerWaalsContact C-N 3.29Å; H45-I47 PolarHBondContact O-N 2.77Å
48	N	97.5	Very high	95.7	Very high	129 Å²	129	75.3 Å²	75.3	69%	0.69	37%	0.367	S	S	*	.	H	α-helix	trans	-77	-31.9	-173.6	-69	-29.4	0	0	0	112.9	E44	E44-N48 VanDerWaalsContact O-CB 3.31Å; E44-N48 WeakPolarHBondContact O-CB 3.41Å; E44-N48 VanDerWaalsContact O-CG 3.31Å; E44-N48 PolarHBondContact O-N 3.05Å; E44-N48 PolarHBondContact O-ND2 3.21Å
49	D	96	Very high	95.7	Very high	62 Å²	62	75.1 Å²	75.1	33%	0.332	37%	0.37	S	S	.	.			trans	-143	71.6	179.5	-168.8	-10.5	0	0	0	111	H45 E51 K52 F53	H45-D49 CarbonylContact O-C 3.59Å; H45-D49 PolarHBondContact O-N 3.5Å; D49-E51 VanDerWaalsContact C-N 3.29Å; D49-E51 PolarHBondContact O-N 2.74Å; D49-K52 HydrophobicContact CB-CB 4.26Å; D49-K52 PolarHBondContact O-N 3.42Å; D49-K52 WeakPolarHBondContact OD1-CB 3.4Å; D49-K52 PolarHBondContact OD1-N 2.91Å; D49-K52 WeakPolarHBondContact OD2-CB 3.23Å; D49-K52 VanDerWaalsContact OD2-CD 3.26Å; D49-K52 WeakPolarHBondContact OD2-CD 3.39Å; D49-F53 VanDerWaalsContact O-CB 3.31Å; D49-F53 WeakPolarHBondContact O-CB 3.42Å; D49-F53 PolarHBondContact O-N 3.1Å
50	P	95	Very high	95.8	Very high	44 Å²	44	76.4 Å²	76.4	29%	0.286	38%	0.377	S	S	.	.	H	α-helix	trans	-62.2	-36.4	-175.7	23.4	-33.6	0	0	0	112.3	S46 W54 L73	S46-P50 WeakPolarHBondContact O-CA 3.23Å; P50-W54 WeakPolarHBondContact O-CB 3.49Å; P50-W54 PolarHBondContact O-N 3.15Å; P50-L73 HydrophobicContact CB-CD2 4.32Å; P50-L73 HydrophobicContact CG-CD2 4.08Å
51	E	95	Very high	95.8	Very high	72 Å²	72	78.5 Å²	78.5	34%	0.336	39%	0.385	S	S	.	.	H	α-helix	trans	-63.4	-50.2	179	170.3	159.4	-163.9	0	0	111	D49 S55 F72 L73	D49-E51 VanDerWaalsContact C-N 3.29Å; D49-E51 PolarHBondContact O-N 2.74Å; E51-S55 WeakPolarHBondContact O-CB 3.36Å; E51-S55 PolarHBondContact O-N 3.36Å; E51-S55 PolarHBondContact O-OG 2.99Å; E51-F72 HydrophobicContact CB-CD1 4.36Å; E51-F72 HydrophobicContact CG-CB 4.23Å; E51-F72 HydrophobicContact CG-CD1 3.84Å; E51-F72 HydrophobicContact CG-CG 4.43Å; E51-F72 WeakPolarHBondContact O-CE1 3.37Å; E51-F72 WeakPolarHBondContact OE1-CB 3.39Å; E51-L73 HydrophobicContact CB-CB 4.23Å; E51-L73 HydrophobicContact CB-CD2 4.39Å
52	K	94.7	Very high	95.9	Very high	119 Å²	119	77.6 Å²	77.6	52%	0.517	37%	0.374	S	S	.	.	H	α-helix	trans	-66	-41	178.1	-172	173.8	177.8	-178.8	0	112.5	D49 S55 T56	D49-K52 HydrophobicContact CB-CB 4.26Å; D49-K52 PolarHBondContact O-N 3.42Å; D49-K52 WeakPolarHBondContact OD1-CB 3.4Å; D49-K52 PolarHBondContact OD1-N 2.91Å; D49-K52 WeakPolarHBondContact OD2-CB 3.23Å; D49-K52 VanDerWaalsContact OD2-CD 3.26Å; D49-K52 WeakPolarHBondContact OD2-CD 3.39Å; K52-S55 WeakPolarHBondContact CA-OG 3.49Å; K52-S55 PolarHBondContact O-OG 2.96Å; K52-S55 VanDerWaalsContact O-OG 3.08Å; K52-T56 WeakPolarHBondContact O-CB 3.43Å; K52-T56 PolarHBondContact O-N 3.08Å; K52-T56 PolarHBondContact O-OG1 2.68Å
53	F	96.5	Very high	95.9	Very high	31 Å²	31	75.7 Å²	75.7	14%	0.136	36%	0.362	C	S	.	.	H	α-helix	trans	-59.1	-55.2	179	174.7	-108.7	0	0	0	111.4	L42 H45 D49 T56 I57	L42-F53 HydrophobicContact CD2-CE2 4.16Å; H45-F53 AromaticContact CD2-CD2 3.57Å; D49-F53 VanDerWaalsContact O-CB 3.31Å; D49-F53 WeakPolarHBondContact O-CB 3.42Å; D49-F53 PolarHBondContact O-N 3.1Å; F53-T56 PolarHBondContact O-N 3.11Å; F53-I57 HydrophobicContact CD1-CD1 4.33Å; F53-I57 HydrophobicContact CE1-CD1 3.82Å; F53-I57 HydrophobicContact CE2-CD1 4.16Å; F53-I57 HydrophobicContact CZ-CD1 3.74Å; F53-I57 PolarHBondContact O-N 3.38Å
54	W	96.9	Very high	95.9	Very high	122 Å²	122	77.5 Å²	77.5	46%	0.462	37%	0.373	S	S	.	.	H	α-helix	trans	-72.8	-32.5	-177.3	-70.8	114.7	0	0	0	112.5	P50 I57 A58 F72 W88	P50-W54 WeakPolarHBondContact O-CB 3.49Å; P50-W54 PolarHBondContact O-N 3.15Å; W54-I57 HydrophobicContact CE3-CD1 3.79Å; W54-I57 HydrophobicContact CZ3-CD1 3.93Å; W54-I57 PolarHBondContact O-N 3.32Å; W54-A58 WeakPolarHBondContact O-CB 3.26Å; W54-A58 PolarHBondContact O-N 3.11Å; W54-F72 HydrophobicContact CB-CE1 3.63Å; W54-F72 HydrophobicContact CB-CZ 3.78Å; W54-W88 HydrophobicContact CB-CH2 4.44Å; W54-W88 HydrophobicContact CB-CZ3 3.79Å; W54-W88 AromaticContact CD1-CH2 3.4Å; W54-W88 VanDerWaalsContact CD1-CH2 3.4Å; W54-W88 AromaticContact CD1-CZ3 3.66Å; W54-W88 HydrophobicContact CG-CH2 4.08Å; W54-W88 AromaticContact CG-CZ3 3.9Å; W54-W88 HydrophobicContact CG-CZ3 3.9Å
55	S	95.3	Very high	95.9	Very high	21 Å²	21	79.4 Å²	79.4	15%	0.147	38%	0.376	C	S	.	.	H	α-helix	trans	-67.2	-38.2	176.3	57.4	0	0	0	0	111.8	E51 K52 I57 A58 D59 F72	E51-S55 WeakPolarHBondContact O-CB 3.36Å; E51-S55 PolarHBondContact O-N 3.36Å; E51-S55 PolarHBondContact O-OG 2.99Å; K52-S55 WeakPolarHBondContact CA-OG 3.49Å; K52-S55 PolarHBondContact O-OG 2.96Å; K52-S55 VanDerWaalsContact O-OG 3.08Å; S55-I57 VanDerWaalsContact C-N 3.25Å; S55-I57 PolarHBondContact O-N 2.86Å; S55-A58 PolarHBondContact O-N 3.22Å; S55-D59 WeakPolarHBondContact O-CB 3.46Å; S55-D59 PolarHBondContact O-N 3.34Å; S55-F72 VanDerWaalsContact N-CE1 3.29Å
56	T	94.8	Very high	95.9	Very high	74 Å²	74	81.4 Å²	81.4	45%	0.454	38%	0.383	S	S	.	.	H	α-helix	trans	-59.9	-35.8	172.6	-58.8	0	0	0	0	112	K52 F53	K52-T56 WeakPolarHBondContact O-CB 3.43Å; K52-T56 PolarHBondContact O-N 3.08Å; K52-T56 PolarHBondContact O-OG1 2.68Å; F53-T56 PolarHBondContact O-N 3.11Å
57	I	95.1	Very high	95.7	Very high	52 Å²	52	82.1 Å²	82.1	27%	0.267	38%	0.382	S	S	.	.	H	α-helix	trans	-72.5	-47	174.6	-65.2	168.7	0	0	0	110.4	F53 W54 S55 D59 K60 F61	F53-I57 HydrophobicContact CD1-CD1 4.33Å; F53-I57 HydrophobicContact CE1-CD1 3.82Å; F53-I57 HydrophobicContact CE2-CD1 4.16Å; F53-I57 HydrophobicContact CZ-CD1 3.74Å; F53-I57 PolarHBondContact O-N 3.38Å; W54-I57 HydrophobicContact CE3-CD1 3.79Å; W54-I57 HydrophobicContact CZ3-CD1 3.93Å; W54-I57 PolarHBondContact O-N 3.32Å; S55-I57 VanDerWaalsContact C-N 3.25Å; S55-I57 PolarHBondContact O-N 2.86Å; I57-D59 PolarHBondContact O-N 2.8Å; I57-K60 WeakPolarHBondContact O-CB 3.45Å; I57-K60 PolarHBondContact O-N 2.86Å; I57-K60 VanDerWaalsContact O-N 3.15Å; I57-F61 HydrophobicContact CG2-CE2 4.24Å; I57-F61 WeakPolarHBondContact O-CD2 3.36Å
58	A	95.9	Very high	95.6	Very high	11 Å²	11	80.3 Å²	80.3	9%	0.091	38%	0.379	C	S	.	.	H	α-helix	trans	-60.6	-34.4	-179.8	0	0	0	0	0	112.1	W54 S55 K60 F61 F63 W67 F72 M89	W54-A58 WeakPolarHBondContact O-CB 3.26Å; W54-A58 PolarHBondContact O-N 3.11Å; S55-A58 PolarHBondContact O-N 3.22Å; A58-K60 PolarHBondContact O-N 3.34Å; A58-K60 VanDerWaalsContact O-N 3.1Å; A58-F61 WeakPolarHBondContact O-CB 3.34Å; A58-F61 PolarHBondContact O-N 2.81Å; A58-F63 HydrophobicContact CB-CE2 4.43Å; A58-F63 WeakPolarHBondContact O-CE2 3.11Å; A58-W67 HydrophobicContact CB-CH2 3.51Å; A58-W67 HydrophobicContact CB-CZ2 4.49Å; A58-W67 HydrophobicContact CB-CZ3 3.93Å; A58-F72 HydrophobicContact CB-CE2 3.87Å; A58-F72 HydrophobicContact CB-CZ 4.19Å; A58-M89 HydrophobicContact CB-SD 4.42Å
59	D	93.9	Very high	95.3	Very high	81 Å²	81	79.2 Å²	79.2	43%	0.433	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.3	177.8	-86.6	-19.4	0	0	0	114.3	S55 I57 F61 K66	S55-D59 WeakPolarHBondContact O-CB 3.46Å; S55-D59 PolarHBondContact O-N 3.34Å; I57-D59 PolarHBondContact O-N 2.8Å; D59-F61 PolarHBondContact O-N 3.11Å; D59-K66 IonicContact OD1-NZ 2.66Å; D59-K66 PolarHBondContact OD1-NZ 2.92Å
60	K	94.5	Very high	95.1	Very high	134 Å²	134	78.5 Å²	78.5	58%	0.583	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.5	173.9	-59.3	176.7	-175.7	175.7	0	112	I57 A58 R103	I57-K60 WeakPolarHBondContact O-CB 3.45Å; I57-K60 PolarHBondContact O-N 2.86Å; I57-K60 VanDerWaalsContact O-N 3.15Å; A58-K60 PolarHBondContact O-N 3.34Å; A58-K60 VanDerWaalsContact O-N 3.1Å; K60-R103 PolarHBondContact O-NE 2.72Å; K60-R103 PolarHBondContact O-NH1 3.3Å; K60-R103 PolarHBondContact O-NH2 3.34Å
61	F	96.5	Very high	95.1	Very high	99 Å²	99	78.4 Å²	78.4	43%	0.434	39%	0.392	S	S	.	.	S	Bend	trans	-98.1	157.2	-176.1	-63.3	-86.6	0	0	0	111.8	I57 A58 D59 F63 N99	I57-F61 HydrophobicContact CG2-CE2 4.24Å; I57-F61 WeakPolarHBondContact O-CD2 3.36Å; A58-F61 WeakPolarHBondContact O-CB 3.34Å; A58-F61 PolarHBondContact O-N 2.81Å; D59-F61 PolarHBondContact O-N 3.11Å; F61-F63 HydrophobicContact CB-CE2 4.04Å; F61-N99 WeakPolarHBondContact CB-OD1 3.24Å; F61-N99 HydrophobicContact CD1-CB 4.48Å
62	W	97	Very high	95.1	Very high	85 Å²	85	75.1 Å²	75.1	32%	0.322	38%	0.376	S	S	.	.			trans	-74.4	133.7	172.5	178.3	89.6	0	0	0	110.6	K64 T94 N95 H98 N99	W62-K64 HydrophobicContact CH2-CB 3.62Å; W62-K64 HydrophobicContact CH2-CG 4.38Å; W62-K64 HydrophobicContact CZ2-CB 3.98Å; W62-K64 HydrophobicContact CZ3-CB 4.21Å; W62-T94 PolarHBondContact O-OG1 3.01Å; W62-N95 HydrophobicContact CZ3-CB 4.13Å; W62-H98 AromaticContact CD1-NE2 3.87Å; W62-H98 AromaticContact CD2-CD2 3.21Å; W62-H98 AromaticContact CD2-NE2 3.59Å; W62-H98 AromaticContact CE2-CD2 3.64Å; W62-H98 AromaticContact CE2-NE2 3.54Å; W62-H98 HydrophobicContact CE3-CB 4.09Å; W62-H98 AromaticContact CE3-CD2 3.33Å; W62-H98 AromaticContact CE3-CG 3.84Å; W62-H98 AromaticContact CG-CD2 3.56Å; W62-H98 AromaticContact CG-NE2 3.8Å; W62-H98 HydrophobicContact CZ3-CB 4.03Å; W62-H98 AromaticContact CZ3-CD2 3.82Å; W62-H98 AromaticContact CZ3-CG 3.9Å; W62-H98 AromaticContact NE1-NE2 3.72Å; W62-N99 PolarHBondContact N-OD1 3.47Å; W62-N99 PolarHBondContact O-ND2 2.91Å
63	F	97.1	Very high	95.2	Very high	33 Å²	33	70.4 Å²	70.4	15%	0.145	36%	0.357	C	S	.	.			trans	-128.5	132.3	170.6	-77.6	-97.6	0	0	0	108.5	A58 F61 R65 K66 W67 M89 T94	A58-F63 HydrophobicContact CB-CE2 4.43Å; A58-F63 WeakPolarHBondContact O-CE2 3.11Å; F61-F63 HydrophobicContact CB-CE2 4.04Å; F63-R65 VanDerWaalsContact C-N 3.27Å; F63-K66 HydrophobicContact CB-CG 4.04Å; F63-W67 HydrophobicContact CD1-CZ3 4.4Å; F63-W67 HydrophobicContact CD2-CZ3 4.28Å; F63-W67 HydrophobicContact CE1-CE3 4.36Å; F63-W67 HydrophobicContact CE1-CZ3 4.02Å; F63-W67 AromaticContact CE2-CZ3 3.89Å; F63-W67 HydrophobicContact CE2-CZ3 3.89Å; F63-W67 AromaticContact CZ-CZ3 3.76Å; F63-W67 HydrophobicContact CZ-CZ3 3.76Å; F63-M89 HydrophobicContact CE1-SD 3.98Å; F63-M89 HydrophobicContact CZ-SD 3.75Å; F63-T94 HydrophobicContact CD1-CG2 4.38Å; F63-T94 HydrophobicContact CE1-CG2 4.05Å
64	K	96.4	Very high	95.1	Very high	164 Å²	164	71.7 Å²	71.7	71%	0.713	36%	0.363	S	S	*	.	S	Bend	trans	-65.2	-38.3	169.5	-174.1	174.9	178.3	177.4	0	110.6	W62 V93	W62-K64 HydrophobicContact CH2-CB 3.62Å; W62-K64 HydrophobicContact CH2-CG 4.38Å; W62-K64 HydrophobicContact CZ2-CB 3.98Å; W62-K64 HydrophobicContact CZ3-CB 4.21Å; K64-V93 HydrophobicContact CB-CG1 4.41Å; K64-V93 PolarHBondContact N-O 3.04Å
65	R	96.7	Very high	95	Very high	141 Å²	141	72.5 Å²	72.5	53%	0.532	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-139	119.3	172.8	-176.3	176.3	69.4	-167.5	3	107.8	F63 D91 G92 V93	F63-R65 VanDerWaalsContact C-N 3.27Å; R65-D91 VanDerWaalsContact CZ-O 3.29Å; R65-D91 PolarHBondContact NE-O 3.26Å; R65-D91 PolarHBondContact NH2-O 3.45Å; R65-G92 WeakPolarHBondContact O-CA 3.47Å; R65-V93 HydrophobicContact CB-CB 4.17Å; R65-V93 HydrophobicContact CB-CG2 4.4Å; R65-V93 PolarHBondContact N-O 3.22Å; R65-V93 VanDerWaalsContact N-O 3.16Å; R65-V93 PolarHBondContact O-N 3.39Å
66	K	94.8	Very high	95.1	Very high	107 Å²	107	72.5 Å²	72.5	47%	0.465	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-70.3	156.1	169.6	-73	-164.1	175.3	-166.8	0	109.8	D59 F63	D59-K66 IonicContact OD1-NZ 2.66Å; D59-K66 PolarHBondContact OD1-NZ 2.92Å; F63-K66 HydrophobicContact CB-CG 4.04Å
67	W	94.1	Very high	95.1	Very high	41 Å²	41	75.3 Å²	75.3	16%	0.155	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-63.1	150.7	175.8	51.7	88.7	0	0	0	111.2	A58 F63 N71 F72 M89 D91	A58-W67 HydrophobicContact CB-CH2 3.51Å; A58-W67 HydrophobicContact CB-CZ2 4.49Å; A58-W67 HydrophobicContact CB-CZ3 3.93Å; F63-W67 HydrophobicContact CD1-CZ3 4.4Å; F63-W67 HydrophobicContact CD2-CZ3 4.28Å; F63-W67 HydrophobicContact CE1-CE3 4.36Å; F63-W67 HydrophobicContact CE1-CZ3 4.02Å; F63-W67 AromaticContact CE2-CZ3 3.89Å; F63-W67 HydrophobicContact CE2-CZ3 3.89Å; F63-W67 AromaticContact CZ-CZ3 3.76Å; F63-W67 HydrophobicContact CZ-CZ3 3.76Å; W67-N71 HydrophobicContact CB-CB 4.43Å; W67-F72 AromaticContact CD2-CD2 3.49Å; W67-F72 HydrophobicContact CD2-CD2 3.49Å; W67-F72 VanDerWaalsContact CD2-CD2 3.49Å; W67-F72 HydrophobicContact CD2-CE2 4.2Å; W67-F72 HydrophobicContact CD2-CG 4.48Å; W67-F72 AromaticContact CE2-CD2 3.26Å; W67-F72 AromaticContact CE2-CE2 3.93Å; W67-F72 AromaticContact CE3-CD2 3.91Å; W67-F72 HydrophobicContact CE3-CD2 3.91Å; W67-F72 HydrophobicContact CE3-CE2 4.2Å; W67-F72 HydrophobicContact CG-CB 4.2Å; W67-F72 AromaticContact CG-CD2 3.99Å; W67-F72 HydrophobicContact CG-CD2 3.99Å; W67-F72 AromaticContact CH2-CD2 3.97Å; W67-F72 HydrophobicContact CH2-CD2 3.97Å; W67-F72 AromaticContact CH2-CE2 3.75Å; W67-F72 HydrophobicContact CH2-CE2 3.75Å; W67-F72 AromaticContact CZ2-CD2 3.53Å; W67-F72 HydrophobicContact CZ2-CD2 3.53Å; W67-F72 AromaticContact CZ2-CE2 3.71Å; W67-F72 HydrophobicContact CZ2-CE2 3.71Å; W67-F72 HydrophobicContact CZ3-CD2 4.13Å; W67-F72 AromaticContact CZ3-CE2 3.98Å; W67-F72 HydrophobicContact CZ3-CE2 3.98Å; W67-F72 AromaticContact NE1-CD2 3.59Å; W67-M89 HydrophobicContact CD2-CG 4.39Å; W67-M89 HydrophobicContact CE3-CB 4.28Å; W67-M89 HydrophobicContact CE3-CG 3.77Å; W67-M89 HydrophobicContact CE3-SD 4.28Å; W67-M89 HydrophobicContact CZ3-CG 4.13Å; W67-M89 HydrophobicContact CZ3-SD 4.1Å; W67-D91 WeakPolarHBondContact CA-OD1 3.2Å; W67-D91 VanDerWaalsContact CB-OD1 3.22Å; W67-D91 WeakPolarHBondContact CB-OD1 3.45Å
68	S	93.4	Very high	95.2	Very high	65 Å²	65	75.4 Å²	75.4	46%	0.455	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-75.2	162.5	171.7	-49.7	0	0	0	0	110.7	G70 N71 D91	S68-G70 PolarHBondContact O-N 2.97Å; S68-N71 WeakPolarHBondContact O-CB 3.48Å; S68-N71 PolarHBondContact O-N 3.44Å; S68-D91 WeakPolarHBondContact CB-OD2 3.22Å; S68-D91 PolarHBondContact N-OD1 2.9Å; S68-D91 VanDerWaalsContact N-OD1 3.17Å; S68-D91 PolarHBondContact N-OD2 2.96Å; S68-D91 PolarHBondContact OG-OD2 2.98Å
69	A	92	Very high	95.1	Very high	105 Å²	105	81.3 Å²	81.3	87%	0.868	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	131.9	175.7	0	0	0	0	0	111	N71	A69-N71 VanDerWaalsContact C-N 3.3Å; A69-N71 PolarHBondContact O-N 2.73Å
70	G	91.8	Very high	95.3	Very high	47 Å²	47	87.4 Å²	87.4	49%	0.485	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	4.2	-177.4	0	0	0	0	0	115.9	S68 Q74	S68-G70 PolarHBondContact O-N 2.97Å; G70-Q74 WeakPolarHBondContact O-CG 3.31Å; G70-Q74 PolarHBondContact O-NE2 3.3Å
71	N	94.6	Very high	95.3	Very high	42 Å²	42	89 Å²	89	23%	0.225	42%	0.422	C	S	.	.			trans	-107.2	5.6	177.6	-71.8	-20.8	0	0	0	113.8	W67 S68 A69 Q74 M89 A90 D91	W67-N71 HydrophobicContact CB-CB 4.43Å; S68-N71 WeakPolarHBondContact O-CB 3.48Å; S68-N71 PolarHBondContact O-N 3.44Å; A69-N71 VanDerWaalsContact C-N 3.3Å; A69-N71 PolarHBondContact O-N 2.73Å; N71-Q74 PolarHBondContact OD1-NE2 2.88Å; N71-M89 CarbonylContact O-C 3.52Å; N71-M89 WeakPolarHBondContact O-CA 3.44Å; N71-M89 PolarHBondContact O-N 3.43Å; N71-A90 PolarHBondContact O-N 3.04Å; N71-D91 VanDerWaalsContact CB-OD1 3.29Å; N71-D91 WeakPolarHBondContact CB-OD1 3.4Å; N71-D91 PolarHBondContact ND2-OD2 2.96Å
72	F	95.4	Very high	95.2	Very high	3 Å²	3	85.5 Å²	85.5	1%	0.013	41%	0.414	C	S	.	.	S	Bend	trans	-74.2	-47.3	177.8	-172.8	-98.7	0	0	0	112.2	E51 W54 S55 A58 W67 W88 M89	E51-F72 HydrophobicContact CB-CD1 4.36Å; E51-F72 HydrophobicContact CG-CB 4.23Å; E51-F72 HydrophobicContact CG-CD1 3.84Å; E51-F72 HydrophobicContact CG-CG 4.43Å; E51-F72 WeakPolarHBondContact O-CE1 3.37Å; E51-F72 WeakPolarHBondContact OE1-CB 3.39Å; W54-F72 HydrophobicContact CB-CE1 3.63Å; W54-F72 HydrophobicContact CB-CZ 3.78Å; S55-F72 VanDerWaalsContact N-CE1 3.29Å; A58-F72 HydrophobicContact CB-CE2 3.87Å; A58-F72 HydrophobicContact CB-CZ 4.19Å; W67-F72 AromaticContact CD2-CD2 3.49Å; W67-F72 HydrophobicContact CD2-CD2 3.49Å; W67-F72 VanDerWaalsContact CD2-CD2 3.49Å; W67-F72 HydrophobicContact CD2-CE2 4.2Å; W67-F72 HydrophobicContact CD2-CG 4.48Å; W67-F72 AromaticContact CE2-CD2 3.26Å; W67-F72 AromaticContact CE2-CE2 3.93Å; W67-F72 AromaticContact CE3-CD2 3.91Å; W67-F72 HydrophobicContact CE3-CD2 3.91Å; W67-F72 HydrophobicContact CE3-CE2 4.2Å; W67-F72 HydrophobicContact CG-CB 4.2Å; W67-F72 AromaticContact CG-CD2 3.99Å; W67-F72 HydrophobicContact CG-CD2 3.99Å; W67-F72 AromaticContact CH2-CD2 3.97Å; W67-F72 HydrophobicContact CH2-CD2 3.97Å; W67-F72 AromaticContact CH2-CE2 3.75Å; W67-F72 HydrophobicContact CH2-CE2 3.75Å; W67-F72 AromaticContact CZ2-CD2 3.53Å; W67-F72 HydrophobicContact CZ2-CD2 3.53Å; W67-F72 AromaticContact CZ2-CE2 3.71Å; W67-F72 HydrophobicContact CZ2-CE2 3.71Å; W67-F72 HydrophobicContact CZ3-CD2 4.13Å; W67-F72 AromaticContact CZ3-CE2 3.98Å; W67-F72 HydrophobicContact CZ3-CE2 3.98Å; W67-F72 AromaticContact NE1-CD2 3.59Å; F72-W88 HydrophobicContact CD1-CE3 4.24Å; F72-W88 HydrophobicContact CD1-CZ3 4.23Å; F72-W88 AromaticContact CE1-CE3 3.79Å; F72-W88 HydrophobicContact CE1-CE3 3.79Å; F72-W88 AromaticContact CE1-CZ3 3.66Å; F72-W88 HydrophobicContact CE1-CZ3 3.66Å; F72-W88 HydrophobicContact CZ-CE3 4.29Å; F72-W88 HydrophobicContact CZ-CZ3 4.43Å; F72-W88 CarbonylContact O-C 3.5Å; F72-W88 VanDerWaalsContact O-CA 3.23Å; F72-W88 WeakPolarHBondContact O-CA 3.46Å; F72-M89 HydrophobicContact CD2-CG 3.64Å; F72-M89 HydrophobicContact CE2-CG 3.51Å; F72-M89 HydrophobicContact CE2-SD 4.04Å; F72-M89 HydrophobicContact CZ-CG 4.4Å; F72-M89 PolarHBondContact O-N 2.91Å
73	L	96.1	Very high	95.2	Very high	21 Å²	21	86.7 Å²	86.7	11%	0.11	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	121.7	175.1	173.9	57.4	0	0	0	109.4	P50 E51 Y75 V86 W88	P50-L73 HydrophobicContact CB-CD2 4.32Å; P50-L73 HydrophobicContact CG-CD2 4.08Å; E51-L73 HydrophobicContact CB-CB 4.23Å; E51-L73 HydrophobicContact CB-CD2 4.39Å; L73-Y75 HydrophobicContact CD1-CD1 4.1Å; L73-Y75 HydrophobicContact CD2-CD1 4.29Å; L73-Y75 HydrophobicContact CD2-CE1 4.3Å; L73-Y75 HydrophobicContact CG-CD1 3.97Å; L73-Y75 HydrophobicContact CG-CE1 4.36Å; L73-V86 HydrophobicContact CD1-CG1 4.2Å; L73-W88 HydrophobicContact CB-CE3 4.3Å; L73-W88 HydrophobicContact CB-CZ3 4.2Å; L73-W88 HydrophobicContact CD1-CD2 3.91Å; L73-W88 HydrophobicContact CD1-CE3 4.17Å; L73-W88 HydrophobicContact CD1-CH2 3.9Å; L73-W88 HydrophobicContact CD1-CZ2 3.62Å; L73-W88 HydrophobicContact CD1-CZ3 4.16Å; L73-W88 HydrophobicContact CD2-CH2 3.85Å; L73-W88 HydrophobicContact CD2-CZ2 4.27Å; L73-W88 HydrophobicContact CD2-CZ3 4.23Å; L73-W88 HydrophobicContact CG-CH2 4.33Å; L73-W88 HydrophobicContact CG-CZ3 4.42Å
74	Q	94.8	Very high	95.2	Very high	57 Å²	57	89.5 Å²	89.5	27%	0.266	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.3	171.6	-64.7	176.3	-16.2	0	0	108.7	G70 N71 F85 V86 R87	G70-Q74 WeakPolarHBondContact O-CG 3.31Å; G70-Q74 PolarHBondContact O-NE2 3.3Å; N71-Q74 PolarHBondContact OD1-NE2 2.88Å; Q74-F85 HydrophobicContact CB-CE2 4.03Å; Q74-V86 CarbonylContact O-C 3.54Å; Q74-V86 WeakPolarHBondContact O-CA 3.47Å; Q74-R87 HydrophobicContact CB-CB 4.45Å; Q74-R87 PolarHBondContact N-O 2.98Å; Q74-R87 PolarHBondContact O-N 3.5Å
75	Y	95	Very high	95.2	Very high	139 Å²	139	85.1 Å²	85.1	55%	0.545	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	155.7	176.1	62.2	-90.3	0	0	0	111.6	L73 F77 F85	L73-Y75 HydrophobicContact CD1-CD1 4.1Å; L73-Y75 HydrophobicContact CD2-CD1 4.29Å; L73-Y75 HydrophobicContact CD2-CE1 4.3Å; L73-Y75 HydrophobicContact CG-CD1 3.97Å; L73-Y75 HydrophobicContact CG-CE1 4.36Å; Y75-F77 AromaticContact CD2-CD2 3.44Å; Y75-F77 HydrophobicContact CD2-CD2 3.44Å; Y75-F77 VanDerWaalsContact CD2-CD2 3.44Å; Y75-F77 AromaticContact CD2-CE2 3.44Å; Y75-F77 HydrophobicContact CD2-CE2 3.44Å; Y75-F77 VanDerWaalsContact CD2-CE2 3.44Å; Y75-F77 HydrophobicContact CD2-CG 4.34Å; Y75-F77 HydrophobicContact CD2-CZ 4.36Å; Y75-F77 AromaticContact CE2-CD2 3.9Å; Y75-F77 HydrophobicContact CE2-CD2 3.9Å; Y75-F77 HydrophobicContact CE2-CE2 4.02Å; Y75-F77 HydrophobicContact CG-CD2 4.32Å; Y75-F77 AromaticContact CG-CE2 3.91Å; Y75-F77 HydrophobicContact CG-CE2 3.91Å; Y75-F77 HydrophobicContact CG-CZ 4.49Å; Y75-F85 CarbonylContact C-O 3.54Å; Y75-F85 WeakPolarHBondContact CA-O 3.27Å; Y75-F85 WeakPolarHBondContact CB-O 3.43Å
76	N	96.5	Very high	95.2	Very high	21 Å²	21	81.7 Å²	81.7	11%	0.112	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	116.9	164.9	178.8	36.2	0	0	0	108	D78 G82 P83 V84 F85	N76-D78 PolarHBondContact ND2-O 3.26Å; N76-D78 PolarHBondContact OD1-N 3.43Å; N76-D78 PolarHBondContact OD1-O 3.03Å; N76-D78 VanDerWaalsContact OD1-O 3.1Å; N76-G82 PolarHBondContact ND2-O 3.48Å; N76-G82 VanDerWaalsContact ND2-O 3.14Å; N76-P83 PolarHBondContact ND2-O 3.22Å; N76-V84 WeakPolarHBondContact O-CA 3.39Å; N76-V84 WeakPolarHBondContact O-CG1 3.15Å; N76-F85 HydrophobicContact CB-CD1 3.77Å; N76-F85 HydrophobicContact CB-CE1 3.49Å; N76-F85 VanDerWaalsContact CB-CE1 3.49Å; N76-F85 HydrophobicContact CB-CZ 4.14Å; N76-F85 PolarHBondContact N-O 2.9Å; N76-F85 PolarHBondContact O-N 2.88Å
77	F	95.8	Very high	95.3	Very high	134 Å²	134	83.5 Å²	83.5	59%	0.588	43%	0.432	S	S	*	.			trans	-106.2	-3	170.7	-61.3	-56.3	0	0	0	112.2	Y75 H79 V84 V86	Y75-F77 AromaticContact CD2-CD2 3.44Å; Y75-F77 HydrophobicContact CD2-CD2 3.44Å; Y75-F77 VanDerWaalsContact CD2-CD2 3.44Å; Y75-F77 AromaticContact CD2-CE2 3.44Å; Y75-F77 HydrophobicContact CD2-CE2 3.44Å; Y75-F77 VanDerWaalsContact CD2-CE2 3.44Å; Y75-F77 HydrophobicContact CD2-CG 4.34Å; Y75-F77 HydrophobicContact CD2-CZ 4.36Å; Y75-F77 AromaticContact CE2-CD2 3.9Å; Y75-F77 HydrophobicContact CE2-CD2 3.9Å; Y75-F77 HydrophobicContact CE2-CE2 4.02Å; Y75-F77 HydrophobicContact CG-CD2 4.32Å; Y75-F77 AromaticContact CG-CE2 3.91Å; Y75-F77 HydrophobicContact CG-CE2 3.91Å; Y75-F77 HydrophobicContact CG-CZ 4.49Å; F77-H79 PolarHBondContact O-N 3.46Å; F77-V84 HydrophobicContact CD1-CG1 4.09Å; F77-V86 HydrophobicContact CE1-CG2 3.49Å; F77-V86 VanDerWaalsContact CE1-CG2 3.49Å; F77-V86 HydrophobicContact CZ-CG2 3.48Å; F77-V86 VanDerWaalsContact CZ-CG2 3.48Å
78	D	96.7	Very high	95.4	Very high	54 Å²	54	86.5 Å²	86.5	29%	0.289	44%	0.443	S	S	.	.			trans	-92.2	98.5	174.8	-173.3	-6.3	0	0	0	109.4	N76 R80 K81	N76-D78 PolarHBondContact ND2-O 3.26Å; N76-D78 PolarHBondContact OD1-N 3.43Å; N76-D78 PolarHBondContact OD1-O 3.03Å; N76-D78 VanDerWaalsContact OD1-O 3.1Å; D78-R80 PolarHBondContact O-N 2.89Å; D78-R80 VanDerWaalsContact OD1-CB 3.24Å; D78-R80 WeakPolarHBondContact OD1-CB 3.29Å; D78-R80 WeakPolarHBondContact OD1-CG 3.37Å; D78-R80 PolarHBondContact OD1-N 3.14Å; D78-K81 HydrophobicContact CB-CB 4.38Å; D78-K81 HydrophobicContact CB-CD 4.04Å; D78-K81 HydrophobicContact CB-CG 4.15Å; D78-K81 PolarHBondContact O-N 3.4Å; D78-K81 VanDerWaalsContact OD2-CE 3.23Å; D78-K81 WeakPolarHBondContact OD2-CE 3.28Å; D78-K81 IonicContact OD2-NZ 3.93Å
79	H	95	Very high	95.5	Very high	134 Å²	134	86.5 Å²	86.5	62%	0.62	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-18.6	178.5	70.1	-78.9	0	0	0	113.5	F77 K81 G82 V84	F77-H79 PolarHBondContact O-N 3.46Å; H79-K81 VanDerWaalsContact C-N 3.35Å; H79-G82 CarbonylContact C-O 3.48Å; H79-G82 WeakPolarHBondContact CA-O 3.5Å; H79-V84 HydrophobicContact CB-CG2 4.32Å
80	R	96.7	Very high	95.6	Very high	209 Å²	209	84.3 Å²	84.3	79%	0.789	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-23.9	177.2	-53.4	172.3	-175.1	169.7	2.7	112.2	D78	D78-R80 PolarHBondContact O-N 2.89Å; D78-R80 VanDerWaalsContact OD1-CB 3.24Å; D78-R80 WeakPolarHBondContact OD1-CB 3.29Å; D78-R80 WeakPolarHBondContact OD1-CG 3.37Å; D78-R80 PolarHBondContact OD1-N 3.14Å
81	K	95	Very high	95.8	Very high	167 Å²	167	83.5 Å²	83.5	73%	0.726	40%	0.403	S	S	*	.	S	Bend	trans	-88.2	-5.4	177.3	-65.8	179.5	-175.4	172.5	0	113.1	D78 H79	D78-K81 HydrophobicContact CB-CB 4.38Å; D78-K81 HydrophobicContact CB-CD 4.04Å; D78-K81 HydrophobicContact CB-CG 4.15Å; D78-K81 PolarHBondContact O-N 3.4Å; D78-K81 VanDerWaalsContact OD2-CE 3.23Å; D78-K81 WeakPolarHBondContact OD2-CE 3.28Å; D78-K81 IonicContact OD2-NZ 3.93Å; H79-K81 VanDerWaalsContact C-N 3.35Å
82	G	95.3	Very high	95.8	Very high	26 Å²	26	82.6 Å²	82.6	27%	0.268	40%	0.404	S	S	.	.	S	Bend	trans	138.7	-170	-179.5	0	0	0	0	0	112.3	N76 H79	N76-G82 PolarHBondContact ND2-O 3.48Å; N76-G82 VanDerWaalsContact ND2-O 3.14Å; H79-G82 CarbonylContact C-O 3.48Å; H79-G82 WeakPolarHBondContact CA-O 3.5Å
83	P	96.5	Very high	95.9	Very high	111 Å²	111	84.7 Å²	84.7	72%	0.721	42%	0.417	S	S	*	.	S	Bend	trans	-56.1	144.2	177.6	-23.8	34	0	0	0	111.7	N76 F85	N76-P83 PolarHBondContact ND2-O 3.22Å; P83-F85 WeakPolarHBondContact O-CD1 3.44Å; P83-F85 PolarHBondContact O-N 2.77Å
84	V	97.3	Very high	95.9	Very high	91 Å²	91	86.6 Å²	86.6	55%	0.552	43%	0.429	S	S	*	.			trans	-71.2	129	171.7	173.9	0	0	0	0	108.7	N76 F77 H79	N76-V84 WeakPolarHBondContact O-CA 3.39Å; N76-V84 WeakPolarHBondContact O-CG1 3.15Å; F77-V84 HydrophobicContact CD1-CG1 4.09Å; H79-V84 HydrophobicContact CB-CG2 4.32Å
85	F	96.4	Very high	96.1	Very high	72 Å²	72	85.7 Å²	85.7	32%	0.316	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	160.1	176.8	72.1	-93.4	0	0	0	112.2	Q74 Y75 N76 P83 R87	Q74-F85 HydrophobicContact CB-CE2 4.03Å; Y75-F85 CarbonylContact C-O 3.54Å; Y75-F85 WeakPolarHBondContact CA-O 3.27Å; Y75-F85 WeakPolarHBondContact CB-O 3.43Å; N76-F85 HydrophobicContact CB-CD1 3.77Å; N76-F85 HydrophobicContact CB-CE1 3.49Å; N76-F85 VanDerWaalsContact CB-CE1 3.49Å; N76-F85 HydrophobicContact CB-CZ 4.14Å; N76-F85 PolarHBondContact N-O 2.9Å; N76-F85 PolarHBondContact O-N 2.88Å; P83-F85 WeakPolarHBondContact O-CD1 3.44Å; P83-F85 PolarHBondContact O-N 2.77Å; F85-R87 HydrophobicContact CD2-CG 4Å
86	V	96.4	Very high	96.1	Very high	69 Å²	69	83.5 Å²	83.5	42%	0.418	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	130.4	167.3	-174.8	0	0	0	0	107.7	L73 Q74 F77	L73-V86 HydrophobicContact CD1-CG1 4.2Å; Q74-V86 CarbonylContact O-C 3.54Å; Q74-V86 WeakPolarHBondContact O-CA 3.47Å; F77-V86 HydrophobicContact CE1-CG2 3.49Å; F77-V86 VanDerWaalsContact CE1-CG2 3.49Å; F77-V86 HydrophobicContact CZ-CG2 3.48Å; F77-V86 VanDerWaalsContact CZ-CG2 3.48Å
87	R	95.9	Very high	96.2	Very high	145 Å²	145	82.5 Å²	82.5	55%	0.547	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	131.8	179.4	-68.8	175.7	-177.2	170.8	1.4	109.3	Q74 F85	Q74-R87 HydrophobicContact CB-CB 4.45Å; Q74-R87 PolarHBondContact N-O 2.98Å; Q74-R87 PolarHBondContact O-N 3.5Å; F85-R87 HydrophobicContact CD2-CG 4Å
88	W	96.8	Very high	96.3	Very high	104 Å²	104	77.5 Å²	77.5	39%	0.394	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136	176.7	-67.1	85	0	0	0	109.8	W54 F72 L73 A90	W54-W88 HydrophobicContact CB-CH2 4.44Å; W54-W88 HydrophobicContact CB-CZ3 3.79Å; W54-W88 AromaticContact CD1-CH2 3.4Å; W54-W88 VanDerWaalsContact CD1-CH2 3.4Å; W54-W88 AromaticContact CD1-CZ3 3.66Å; W54-W88 HydrophobicContact CG-CH2 4.08Å; W54-W88 AromaticContact CG-CZ3 3.9Å; W54-W88 HydrophobicContact CG-CZ3 3.9Å; F72-W88 HydrophobicContact CD1-CE3 4.24Å; F72-W88 HydrophobicContact CD1-CZ3 4.23Å; F72-W88 AromaticContact CE1-CE3 3.79Å; F72-W88 HydrophobicContact CE1-CE3 3.79Å; F72-W88 AromaticContact CE1-CZ3 3.66Å; F72-W88 HydrophobicContact CE1-CZ3 3.66Å; F72-W88 HydrophobicContact CZ-CE3 4.29Å; F72-W88 HydrophobicContact CZ-CZ3 4.43Å; F72-W88 CarbonylContact O-C 3.5Å; F72-W88 VanDerWaalsContact O-CA 3.23Å; F72-W88 WeakPolarHBondContact O-CA 3.46Å; L73-W88 HydrophobicContact CB-CE3 4.3Å; L73-W88 HydrophobicContact CB-CZ3 4.2Å; L73-W88 HydrophobicContact CD1-CD2 3.91Å; L73-W88 HydrophobicContact CD1-CE3 4.17Å; L73-W88 HydrophobicContact CD1-CH2 3.9Å; L73-W88 HydrophobicContact CD1-CZ2 3.62Å; L73-W88 HydrophobicContact CD1-CZ3 4.16Å; L73-W88 HydrophobicContact CD2-CH2 3.85Å; L73-W88 HydrophobicContact CD2-CZ2 4.27Å; L73-W88 HydrophobicContact CD2-CZ3 4.23Å; L73-W88 HydrophobicContact CG-CH2 4.33Å; L73-W88 HydrophobicContact CG-CZ3 4.42Å; W88-A90 VanDerWaalsContact C-N 3.29Å; W88-A90 PolarHBondContact O-N 2.99Å
89	M	95.8	Very high	96.4	Very high	66 Å²	66	75.9 Å²	75.9	33%	0.325	39%	0.392	S	S	.	.	S	Bend	trans	49.1	47.8	176	-58.8	168.9	-82.4	0	0	112.3	A58 F63 W67 N71 F72 D91 G92	A58-M89 HydrophobicContact CB-SD 4.42Å; F63-M89 HydrophobicContact CE1-SD 3.98Å; F63-M89 HydrophobicContact CZ-SD 3.75Å; W67-M89 HydrophobicContact CD2-CG 4.39Å; W67-M89 HydrophobicContact CE3-CB 4.28Å; W67-M89 HydrophobicContact CE3-CG 3.77Å; W67-M89 HydrophobicContact CE3-SD 4.28Å; W67-M89 HydrophobicContact CZ3-CG 4.13Å; W67-M89 HydrophobicContact CZ3-SD 4.1Å; N71-M89 CarbonylContact O-C 3.52Å; N71-M89 WeakPolarHBondContact O-CA 3.44Å; N71-M89 PolarHBondContact O-N 3.43Å; F72-M89 HydrophobicContact CD2-CG 3.64Å; F72-M89 HydrophobicContact CE2-CG 3.51Å; F72-M89 HydrophobicContact CE2-SD 4.04Å; F72-M89 HydrophobicContact CZ-CG 4.4Å; F72-M89 PolarHBondContact O-N 2.91Å; M89-D91 PolarHBondContact O-N 3.14Å; M89-G92 PolarHBondContact O-N 3.03Å
90	A	94	Very high	96.5	Very high	58 Å²	58	72.2 Å²	72.2	48%	0.479	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.5	-161.9	0	0	0	0	0	114.7	N71 W88	N71-A90 PolarHBondContact O-N 3.04Å; W88-A90 VanDerWaalsContact C-N 3.29Å; W88-A90 PolarHBondContact O-N 2.99Å
91	D	95	Very high	96.6	Very high	30 Å²	30	62.2 Å²	62.2	16%	0.16	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	2.1	177.2	60.5	-14.9	0	0	0	113.6	R65 W67 S68 N71 M89	R65-D91 VanDerWaalsContact CZ-O 3.29Å; R65-D91 PolarHBondContact NE-O 3.26Å; R65-D91 PolarHBondContact NH2-O 3.45Å; W67-D91 WeakPolarHBondContact CA-OD1 3.2Å; W67-D91 VanDerWaalsContact CB-OD1 3.22Å; W67-D91 WeakPolarHBondContact CB-OD1 3.45Å; S68-D91 WeakPolarHBondContact CB-OD2 3.22Å; S68-D91 PolarHBondContact N-OD1 2.9Å; S68-D91 VanDerWaalsContact N-OD1 3.17Å; S68-D91 PolarHBondContact N-OD2 2.96Å; S68-D91 PolarHBondContact OG-OD2 2.98Å; N71-D91 VanDerWaalsContact CB-OD1 3.29Å; N71-D91 WeakPolarHBondContact CB-OD1 3.4Å; N71-D91 PolarHBondContact ND2-OD2 2.96Å; M89-D91 PolarHBondContact O-N 3.14Å
92	G	96.2	Very high	96.7	Very high	24 Å²	24	55.2 Å²	55.2	25%	0.247	31%	0.311	C	S	.	.			trans	-65.9	135.5	175.7	0	0	0	0	0	111.6	R65 M89	R65-G92 WeakPolarHBondContact O-CA 3.47Å; M89-G92 PolarHBondContact O-N 3.03Å
93	V	96.5	Very high	96.9	Very high	46 Å²	46	57.3 Å²	57.3	28%	0.279	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-124.4	119.5	177	-176.7	0	0	0	0	109.2	K64 R65	K64-V93 HydrophobicContact CB-CG1 4.41Å; K64-V93 PolarHBondContact N-O 3.04Å; R65-V93 HydrophobicContact CB-CB 4.17Å; R65-V93 HydrophobicContact CB-CG2 4.4Å; R65-V93 PolarHBondContact N-O 3.22Å; R65-V93 VanDerWaalsContact N-O 3.16Å; R65-V93 PolarHBondContact O-N 3.39Å
94	T	97.1	Very high	96.9	Very high	61 Å²	61	53.4 Å²	53.4	37%	0.374	28%	0.284	S	S	.	.			trans	-135.9	173.6	175.7	-168.2	0	0	0	0	111	W62 F63 N99	W62-T94 PolarHBondContact O-OG1 3.01Å; F63-T94 HydrophobicContact CD1-CG2 4.38Å; F63-T94 HydrophobicContact CE1-CG2 4.05Å; T94-N99 PolarHBondContact OG1-ND2 3Å
95	N	97.5	Very high	97	Very high	39 Å²	39	51.2 Å²	51.2	21%	0.209	27%	0.269	C	S	.	.			trans	-131.6	124.1	169.5	-173.8	-69.8	0	0	0	108.5	W62 C97 H98 N99 A173 R174	W62-N95 HydrophobicContact CZ3-CB 4.13Å; N95-C97 WeakPolarHBondContact OD1-CA 3.4Å; N95-C97 VanDerWaalsContact OD1-CB 3.32Å; N95-C97 WeakPolarHBondContact OD1-CB 3.42Å; N95-C97 PolarHBondContact OD1-N 3.33Å; N95-H98 HydrophobicContact CB-CB 3.92Å; N95-H98 PolarHBondContact O-N 3.33Å; N95-H98 PolarHBondContact OD1-N 3.45Å; N95-H98 VanDerWaalsContact OD1-N 3.08Å; N95-N99 PolarHBondContact O-N 2.79Å; N95-N99 VanDerWaalsContact O-N 3.16Å; N95-N99 PolarHBondContact O-ND2 3.29Å; N95-A173 PolarHBondContact ND2-O 3.08Å; N95-R174 PolarHBondContact ND2-O 3.25Å; N95-R174 VanDerWaalsContact ND2-O 3.16Å
96	V	96.4	Very high	97	Very high	93 Å²	93	54.2 Å²	54.2	56%	0.564	28%	0.284	S	S	*	.	H	α-helix	trans	-64.2	-44	-177.2	177.4	0	0	0	0	111	H98 N99 V100 A173	V96-H98 VanDerWaalsContact C-N 3.29Å; V96-H98 PolarHBondContact O-N 2.96Å; V96-N99 PolarHBondContact O-N 3.33Å; V96-N99 VanDerWaalsContact O-N 3.14Å; V96-V100 HydrophobicContact CG1-CG2 4.34Å; V96-V100 WeakPolarHBondContact O-CG2 3.27Å; V96-V100 PolarHBondContact O-N 3.42Å; V96-A173 HydrophobicContact CB-CB 4.5Å
97	C	98.1	Very high	97	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.9	-39.4	178	173.8	0	0	0	0	111.8	N95 N99 V100 L101 L170 A173 R174	N95-C97 WeakPolarHBondContact OD1-CA 3.4Å; N95-C97 VanDerWaalsContact OD1-CB 3.32Å; N95-C97 WeakPolarHBondContact OD1-CB 3.42Å; N95-C97 PolarHBondContact OD1-N 3.33Å; C97-N99 VanDerWaalsContact C-N 3.34Å; C97-N99 PolarHBondContact O-N 2.93Å; C97-V100 PolarHBondContact O-N 3.42Å; C97-L101 PolarHBondContact O-N 3.16Å; C97-L170 HydrophobicContact CB-CD2 4.41Å; C97-L170 WeakPolarHBondContact CB-O 3.35Å; C97-A173 HydrophobicContact CB-CB 4.2Å; C97-R174 HydrophobicContact CB-CB 3.89Å; C97-R174 PolarHBondContact SG-NH1 3.05Å
98	H	98.3	Very high	97.1	Very high	29 Å²	29	52.5 Å²	52.5	13%	0.134	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-41.2	175.9	-168.4	91.7	0	0	0	112.2	W62 N95 V96 V100 D102 R103	W62-H98 AromaticContact CD1-NE2 3.87Å; W62-H98 AromaticContact CD2-CD2 3.21Å; W62-H98 AromaticContact CD2-NE2 3.59Å; W62-H98 AromaticContact CE2-CD2 3.64Å; W62-H98 AromaticContact CE2-NE2 3.54Å; W62-H98 HydrophobicContact CE3-CB 4.09Å; W62-H98 AromaticContact CE3-CD2 3.33Å; W62-H98 AromaticContact CE3-CG 3.84Å; W62-H98 AromaticContact CG-CD2 3.56Å; W62-H98 AromaticContact CG-NE2 3.8Å; W62-H98 HydrophobicContact CZ3-CB 4.03Å; W62-H98 AromaticContact CZ3-CD2 3.82Å; W62-H98 AromaticContact CZ3-CG 3.9Å; W62-H98 AromaticContact NE1-NE2 3.72Å; N95-H98 HydrophobicContact CB-CB 3.92Å; N95-H98 PolarHBondContact O-N 3.33Å; N95-H98 PolarHBondContact OD1-N 3.45Å; N95-H98 VanDerWaalsContact OD1-N 3.08Å; V96-H98 VanDerWaalsContact C-N 3.29Å; V96-H98 PolarHBondContact O-N 2.96Å; H98-V100 VanDerWaalsContact C-N 3.32Å; H98-V100 PolarHBondContact O-N 3.17Å; H98-D102 WeakPolarHBondContact CA-OD2 3.45Å; H98-D102 HydrophobicContact CB-CB 4.49Å; H98-D102 WeakPolarHBondContact CE1-CB 3.49Å; H98-D102 IonicContact CE1-OD1 3.91Å; H98-D102 VanDerWaalsContact ND1-CB 3.28Å; H98-D102 WeakPolarHBondContact ND1-CB 3.38Å; H98-D102 VanDerWaalsContact ND1-CG 3.35Å; H98-D102 IonicContact ND1-OD1 3.44Å; H98-D102 PolarHBondContact ND1-OD1 3.15Å; H98-D102 IonicContact ND1-OD2 3.88Å; H98-D102 PolarHBondContact O-N 3.06Å; H98-R103 WeakPolarHBondContact O-CB 3.47Å; H98-R103 PolarHBondContact O-N 3.45Å
99	N	97.9	Very high	97.2	Very high	19 Å²	19	49.8 Å²	49.8	10%	0.102	29%	0.291	C	S	.	.	H	α-helix	trans	-66.5	-33	175.2	-89.7	-67.4	0	0	0	113.4	F61 W62 T94 N95 V96 C97 N104	F61-N99 WeakPolarHBondContact CB-OD1 3.24Å; F61-N99 HydrophobicContact CD1-CB 4.48Å; W62-N99 PolarHBondContact N-OD1 3.47Å; W62-N99 PolarHBondContact O-ND2 2.91Å; T94-N99 PolarHBondContact OG1-ND2 3Å; N95-N99 PolarHBondContact O-N 2.79Å; N95-N99 VanDerWaalsContact O-N 3.16Å; N95-N99 PolarHBondContact O-ND2 3.29Å; V96-N99 PolarHBondContact O-N 3.33Å; V96-N99 VanDerWaalsContact O-N 3.14Å; C97-N99 VanDerWaalsContact C-N 3.34Å; C97-N99 PolarHBondContact O-N 2.93Å; N99-N104 PolarHBondContact O-ND2 2.78Å
100	V	97.8	Very high	97.3	Very high	57 Å²	57	47 Å²	47	35%	0.345	28%	0.28	S	S	.	.	H	α-helix	trans	-77.4	-40.9	179.3	174.2	0	0	0	0	111.6	V96 C97 H98 N104 Y130 L170	V96-V100 HydrophobicContact CG1-CG2 4.34Å; V96-V100 WeakPolarHBondContact O-CG2 3.27Å; V96-V100 PolarHBondContact O-N 3.42Å; C97-V100 PolarHBondContact O-N 3.42Å; H98-V100 VanDerWaalsContact C-N 3.32Å; H98-V100 PolarHBondContact O-N 3.17Å; V100-N104 PolarHBondContact O-ND2 3.31Å; V100-Y130 VanDerWaalsContact O-CE1 3.25Å; V100-Y130 WeakPolarHBondContact O-CE1 3.41Å; V100-L170 HydrophobicContact CB-CD2 4.14Å; V100-L170 HydrophobicContact CG1-CD1 4.24Å; V100-L170 HydrophobicContact CG1-CD2 4.04Å; V100-L170 HydrophobicContact CG2-CD2 4.27Å
101	L	98.4	Very high	97.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-70.6	-170.1	-57.5	179.4	0	0	0	112.6	C97 R103 N104 I105 Y130 L133 L134 V137 L170	C97-L101 PolarHBondContact O-N 3.16Å; L101-R103 VanDerWaalsContact C-N 3.31Å; L101-R103 PolarHBondContact O-N 2.78Å; L101-N104 PolarHBondContact O-N 3.08Å; L101-I105 WeakPolarHBondContact O-CG1 3.25Å; L101-I105 PolarHBondContact O-N 2.95Å; L101-Y130 HydrophobicContact CD2-CD1 4.05Å; L101-L133 HydrophobicContact CD1-CG 4.3Å; L101-L133 HydrophobicContact CD2-CB 4.2Å; L101-L133 HydrophobicContact CD2-CD2 3.61Å; L101-L133 HydrophobicContact CD2-CG 3.77Å; L101-L134 HydrophobicContact CB-CB 4.33Å; L101-L134 HydrophobicContact CB-CD1 4.05Å; L101-L134 HydrophobicContact CD1-CB 4.28Å; L101-L134 HydrophobicContact CD1-CD1 4.07Å; L101-V137 HydrophobicContact CD1-CB 4.07Å; L101-V137 HydrophobicContact CD1-CG1 4.19Å; L101-V137 HydrophobicContact CD1-CG2 3.91Å; L101-L170 HydrophobicContact CD1-CD1 4.11Å; L101-L170 HydrophobicContact CD2-CD1 4.33Å; L101-L170 HydrophobicContact CG-CD1 4.37Å
102	D	98.3	Very high	97.6	Very high	20 Å²	20	57.2 Å²	57.2	11%	0.107	31%	0.314	C	S	.	.	H	α-helix	trans	-55.6	-45.5	-171.2	-55.2	-128.7	0	0	0	111.8	H98 N104 I105 Q106 R174	H98-D102 WeakPolarHBondContact CA-OD2 3.45Å; H98-D102 HydrophobicContact CB-CB 4.49Å; H98-D102 WeakPolarHBondContact CE1-CB 3.49Å; H98-D102 IonicContact CE1-OD1 3.91Å; H98-D102 VanDerWaalsContact ND1-CB 3.28Å; H98-D102 WeakPolarHBondContact ND1-CB 3.38Å; H98-D102 VanDerWaalsContact ND1-CG 3.35Å; H98-D102 IonicContact ND1-OD1 3.44Å; H98-D102 PolarHBondContact ND1-OD1 3.15Å; H98-D102 IonicContact ND1-OD2 3.88Å; H98-D102 PolarHBondContact O-N 3.06Å; D102-N104 PolarHBondContact O-N 3.35Å; D102-I105 PolarHBondContact O-N 2.98Å; D102-Q106 WeakPolarHBondContact O-CB 3.44Å; D102-Q106 WeakPolarHBondContact O-CG 3.35Å; D102-Q106 PolarHBondContact O-N 3.16Å; D102-R174 IonicContact OD1-CZ 3.63Å; D102-R174 IonicContact OD1-NH1 3.54Å; D102-R174 IonicContact OD1-NH2 2.78Å; D102-R174 PolarHBondContact OD1-NH2 3.21Å; D102-R174 IonicContact OD2-CZ 3.55Å; D102-R174 IonicContact OD2-NH1 2.72Å; D102-R174 PolarHBondContact OD2-NH1 3.05Å; D102-R174 IonicContact OD2-NH2 3.45Å; D102-R174 PolarHBondContact OD2-NH2 2.91Å
103	R	97.8	Very high	97.7	Very high	69 Å²	69	59 Å²	59	26%	0.26	32%	0.321	S	S	.	.	H	α-helix	trans	-58.6	-45.5	177.3	178.7	-177.4	170.3	-122.9	-10.4	111.8	K60 H98 L101 Q106 L107	K60-R103 PolarHBondContact O-NE 2.72Å; K60-R103 PolarHBondContact O-NH1 3.3Å; K60-R103 PolarHBondContact O-NH2 3.34Å; H98-R103 WeakPolarHBondContact O-CB 3.47Å; H98-R103 PolarHBondContact O-N 3.45Å; L101-R103 VanDerWaalsContact C-N 3.31Å; L101-R103 PolarHBondContact O-N 2.78Å; R103-Q106 PolarHBondContact O-N 3.19Å; R103-L107 HydrophobicContact CG-CD1 4.26Å; R103-L107 VanDerWaalsContact O-CG 3.27Å; R103-L107 WeakPolarHBondContact O-CG 3.32Å; R103-L107 PolarHBondContact O-N 2.98Å; R103-L107 VanDerWaalsContact O-N 3.08Å
104	N	97.7	Very high	97.7	Very high	29 Å²	29	58.5 Å²	58.5	16%	0.155	32%	0.321	C	S	.	.	H	α-helix	trans	-68.4	-38.1	-179.6	-74.1	-62.8	0	0	0	111.6	N99 V100 L101 D102 L107 G108 L109 Y130	N99-N104 PolarHBondContact O-ND2 2.78Å; V100-N104 PolarHBondContact O-ND2 3.31Å; L101-N104 PolarHBondContact O-N 3.08Å; D102-N104 PolarHBondContact O-N 3.35Å; N104-L107 PolarHBondContact O-N 2.9Å; N104-G108 PolarHBondContact O-N 2.86Å; N104-L109 HydrophobicContact CB-CB 4.41Å; N104-L109 HydrophobicContact CB-CD1 4.35Å; N104-L109 VanDerWaalsContact O-CB 3.27Å; N104-L109 WeakPolarHBondContact O-CB 3.44Å; N104-L109 PolarHBondContact O-N 3.2Å; N104-Y130 HydrophobicContact CB-CD1 3.93Å; N104-Y130 HydrophobicContact CB-CE1 3.86Å; N104-Y130 HydrophobicContact CB-CG 4.33Å
105	I	98.2	Very high	97.7	Very high	46 Å²	46	58.8 Å²	58.8	24%	0.236	32%	0.315	C	S	.	.	I	π-helix	trans	-64.6	-43.9	175.4	-66.1	161.6	0	0	0	110.7	L101 D102 L107 G108 L134	L101-I105 WeakPolarHBondContact O-CG1 3.25Å; L101-I105 PolarHBondContact O-N 2.95Å; D102-I105 PolarHBondContact O-N 2.98Å; I105-L107 PolarHBondContact O-N 3.43Å; I105-G108 WeakPolarHBondContact O-CA 3.46Å; I105-G108 PolarHBondContact O-N 3.37Å; I105-L134 HydrophobicContact CD1-CB 3.61Å; I105-L134 HydrophobicContact CD1-CD2 3.38Å; I105-L134 HydrophobicContact CD1-CG 4.07Å
106	Q	97.3	Very high	97.7	Very high	135 Å²	135	63.2 Å²	63.2	63%	0.631	34%	0.337	S	S	*	.	I	π-helix	trans	-61.9	-28.3	175.2	-72.1	165.2	0.2	0	0	112.8	D102 R103 G108	D102-Q106 WeakPolarHBondContact O-CB 3.44Å; D102-Q106 WeakPolarHBondContact O-CG 3.35Å; D102-Q106 PolarHBondContact O-N 3.16Å; R103-Q106 PolarHBondContact O-N 3.19Å; Q106-G108 PolarHBondContact O-N 3.4Å
107	L	97	Very high	97.7	Very high	111 Å²	111	61.6 Å²	61.6	58%	0.581	32%	0.32	S	S	*	.	I	π-helix	trans	-79.8	8.2	172.2	-68.2	171.4	0	0	0	113.4	R103 N104 I105	R103-L107 HydrophobicContact CG-CD1 4.26Å; R103-L107 VanDerWaalsContact O-CG 3.27Å; R103-L107 WeakPolarHBondContact O-CG 3.32Å; R103-L107 PolarHBondContact O-N 2.98Å; R103-L107 VanDerWaalsContact O-N 3.08Å; N104-L107 PolarHBondContact O-N 2.9Å; I105-L107 PolarHBondContact O-N 3.43Å
108	G	97.9	Very high	97.5	Very high	66 Å²	66	68.2 Å²	68.2	68%	0.68	35%	0.351	S	S	*	.	I	π-helix	trans	80.6	14.2	178.8	0	0	0	0	0	114.5	N104 I105 Q106 G110	N104-G108 PolarHBondContact O-N 2.86Å; I105-G108 WeakPolarHBondContact O-CA 3.46Å; I105-G108 PolarHBondContact O-N 3.37Å; Q106-G108 PolarHBondContact O-N 3.4Å; G108-G110 VanDerWaalsContact C-N 3.33Å
109	L	97.8	Very high	97.2	Very high	47 Å²	47	67.6 Å²	67.6	25%	0.246	35%	0.352	C	S	.	.	I	π-helix	trans	-93.2	14	-180	-53.9	177.5	0	0	0	113.2	N104 D111 R112 Y130	N104-L109 HydrophobicContact CB-CB 4.41Å; N104-L109 HydrophobicContact CB-CD1 4.35Å; N104-L109 VanDerWaalsContact O-CB 3.27Å; N104-L109 WeakPolarHBondContact O-CB 3.44Å; N104-L109 PolarHBondContact O-N 3.2Å; L109-D111 VanDerWaalsContact C-N 3.3Å; L109-D111 PolarHBondContact O-N 3.48Å; L109-R112 HydrophobicContact CB-CB 4.35Å; L109-R112 VanDerWaalsContact O-CB 3.29Å; L109-R112 WeakPolarHBondContact O-CB 3.45Å; L109-R112 PolarHBondContact O-N 3.02Å; L109-Y130 HydrophobicContact CB-CD2 4.42Å; L109-Y130 VanDerWaalsContact O-CD2 3.29Å; L109-Y130 WeakPolarHBondContact O-CD2 3.41Å
110	G	97.7	Very high	96.8	Very high	8 Å²	8	70.1 Å²	70.1	8%	0.082	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-43.4	-174.2	0	0	0	0	0	114.1	G108 R112 T129 Y130 S131	G108-G110 VanDerWaalsContact C-N 3.33Å; G110-R112 VanDerWaalsContact C-N 3.31Å; G110-R112 PolarHBondContact O-N 3.25Å; G110-T129 WeakPolarHBondContact O-CB 3.36Å; G110-Y130 PolarHBondContact O-N 2.99Å; G110-S131 VanDerWaalsContact C-OG 3.3Å; G110-S131 VanDerWaalsContact CA-OG 3.25Å; G110-S131 WeakPolarHBondContact CA-OG 3.18Å; G110-S131 PolarHBondContact O-N 3.36Å; G110-S131 PolarHBondContact O-OG 3.25Å
111	D	98.3	Very high	96.3	Very high	144 Å²	144	72.9 Å²	72.9	77%	0.77	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-3.3	-177.9	-55.3	-35.1	0	0	0	113.1	L109 T129	L109-D111 VanDerWaalsContact C-N 3.3Å; L109-D111 PolarHBondContact O-N 3.48Å; D111-T129 WeakPolarHBondContact O-CG2 3.29Å
112	R	98.3	Very high	95.8	Very high	159 Å²	159	78.4 Å²	78.4	60%	0.6	41%	0.411	S	S	*	.	S	Bend	trans	-72.7	137.3	174.8	-175.7	-178.7	-85.8	-164.4	-4	108.9	L109 G110 A114 T129 Y130	L109-R112 HydrophobicContact CB-CB 4.35Å; L109-R112 VanDerWaalsContact O-CB 3.29Å; L109-R112 WeakPolarHBondContact O-CB 3.45Å; L109-R112 PolarHBondContact O-N 3.02Å; G110-R112 VanDerWaalsContact C-N 3.31Å; G110-R112 PolarHBondContact O-N 3.25Å; R112-A114 PolarHBondContact O-N 3.2Å; R112-A114 VanDerWaalsContact O-N 3.15Å; R112-T129 VanDerWaalsContact O-CA 3.27Å; R112-T129 WeakPolarHBondContact O-CA 3.27Å; R112-Y130 HydrophobicContact CB-CD2 4.2Å; R112-Y130 HydrophobicContact CB-CE2 4.42Å; R112-Y130 WeakPolarHBondContact O-CD2 3.48Å; R112-Y130 PolarHBondContact O-N 3.26Å
113	V	98	Very high	95.4	Very high	62 Å²	62	80.5 Å²	80.5	38%	0.376	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	117.3	171.8	179.9	0	0	0	0	109.2	M116 R127	V113-M116 HydrophobicContact CG1-CG 3.69Å; V113-R127 HydrophobicContact CG1-CB 4.15Å; V113-R127 HydrophobicContact CG2-CB 4.37Å
114	A	97.1	Very high	95	Very high	34 Å²	34	80.9 Å²	80.9	28%	0.281	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-32.1	177.2	0	0	0	0	0	111.7	R112 I128 Y130 L133	R112-A114 PolarHBondContact O-N 3.2Å; R112-A114 VanDerWaalsContact O-N 3.15Å; A114-I128 PolarHBondContact N-O 3.08Å; A114-Y130 HydrophobicContact CB-CD1 3.71Å; A114-Y130 HydrophobicContact CB-CD2 3.71Å; A114-Y130 HydrophobicContact CB-CE1 3.8Å; A114-Y130 HydrophobicContact CB-CE2 3.8Å; A114-Y130 HydrophobicContact CB-CG 3.66Å; A114-L133 HydrophobicContact CB-CD2 4.21Å
115	Y	96.8	Very high	94.8	Very high	67 Å²	67	84 Å²	84	26%	0.263	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	125	-175.9	-157.4	-99.1	0	0	0	110.6	W117 R127 I128 P166	Y115-W117 HydrophobicContact CD1-CB 4.21Å; Y115-W117 HydrophobicContact CE1-CB 4.07Å; Y115-R127 WeakPolarHBondContact O-CA 3.15Å; Y115-I128 PolarHBondContact N-O 3.46Å; Y115-I128 PolarHBondContact O-N 3.17Å; Y115-P166 HydrophobicContact CD2-CG 4.38Å; Y115-P166 HydrophobicContact CE1-CG 4.22Å; Y115-P166 HydrophobicContact CE2-CB 4.4Å; Y115-P166 HydrophobicContact CE2-CG 3.96Å
116	M	96.5	Very high	94.6	Very high	133 Å²	133	84 Å²	84	66%	0.655	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	127.1	169.6	-67.1	179.3	62.9	0	0	107.7	V113 R127	V113-M116 HydrophobicContact CG1-CG 3.69Å; M116-R127 HydrophobicContact CG-CG 4.48Å
117	W	96.5	Very high	94.6	Very high	58 Å²	58	85.9 Å²	85.9	22%	0.22	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.7	179.7	176.1	78.4	0	0	0	109.7	Y115 V124 N125 S126 M161 P163	Y115-W117 HydrophobicContact CD1-CB 4.21Å; Y115-W117 HydrophobicContact CE1-CB 4.07Å; W117-V124 HydrophobicContact CH2-CG1 4.19Å; W117-V124 HydrophobicContact CZ3-CG1 4.07Å; W117-N125 CarbonylContact O-C 3.56Å; W117-N125 WeakPolarHBondContact O-CA 3.35Å; W117-S126 PolarHBondContact N-O 3.27Å; W117-S126 PolarHBondContact O-N 3.36Å; W117-M161 PolarHBondContact NE1-O 3.31Å; W117-P163 HydrophobicContact CB-CG 4.14Å; W117-P163 HydrophobicContact CD2-CG 3.95Å; W117-P163 HydrophobicContact CE3-CG 4.44Å; W117-P163 HydrophobicContact CG-CG 3.8Å
118	E	94.4	Very high	94.6	Very high	140 Å²	140	81.7 Å²	81.7	65%	0.654	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.1	172.2	174.5	163.3	-148.4	0	0	107.8	N125	E118-N125 WeakPolarHBondContact CA-OD1 3.29Å; E118-N125 WeakPolarHBondContact CB-OD1 3.3Å; E118-N125 WeakPolarHBondContact CG-OD1 3.41Å
119	G	92.2	Very high	94.7	Very high	15 Å²	15	79.8 Å²	79.8	16%	0.155	42%	0.423	C	S	.	.			trans	-77.5	179.7	-179.7	0	0	0	0	0	112.5	E121 V124	G119-E121 VanDerWaalsContact C-N 3.3Å; G119-E121 PolarHBondContact O-N 3.05Å; G119-V124 VanDerWaalsContact CA-O 3.31Å; G119-V124 WeakPolarHBondContact CA-O 3.46Å; G119-V124 PolarHBondContact N-O 3.37Å
120	N	89.5	Confident	94.7	Very high	72 Å²	72	79.8 Å²	79.8	39%	0.385	42%	0.42	S	S	.	.	S	Bend	trans	-68.2	-31	179.3	-175.5	83	0	0	0	112.8	A212	N120-A212 PolarHBondContact ND2-O 3.15Å; N120-A212 WeakPolarHBondContact OD1-CA 3.25Å; N120-A212 PolarHBondContact OD1-N 3.32Å
121	E	87.6	Confident	94.8	Very high	115 Å²	115	81.6 Å²	81.6	54%	0.537	43%	0.431	S	S	.	.	S	Bend	trans	-97.5	132.7	178.3	-63.7	-56.3	142.5	0	0	110.4	G119 G123 V124	G119-E121 VanDerWaalsContact C-N 3.3Å; G119-E121 PolarHBondContact O-N 3.05Å; E121-G123 PolarHBondContact O-N 3.42Å; E121-V124 HydrophobicContact CB-CG2 3.88Å; E121-V124 WeakPolarHBondContact O-CB 3.47Å; E121-V124 PolarHBondContact O-N 3.04Å
122	P	87.2	Confident	94.8	Very high	116 Å²	116	79.5 Å²	79.5	75%	0.753	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	132.5	176.3	-27.1	34.8	0	0	0	112.3	V124	P122-V124 VanDerWaalsContact C-N 3.31Å
123	G	89.7	Confident	94.8	Very high	65 Å²	65	72.3 Å²	72.3	67%	0.67	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	-12.1	-179.4	0	0	0	0	0	114.8	E121 N125	E121-G123 PolarHBondContact O-N 3.42Å; G123-N125 PolarHBondContact O-N 3.18Å; G123-N125 VanDerWaalsContact O-N 3.13Å
124	V	90	Very high	94.8	Very high	77 Å²	77	70.9 Å²	70.9	47%	0.467	38%	0.38	S	S	.	.			trans	-83.4	87.7	171.3	-176.8	0	0	0	0	108.9	W117 G119 E121 P122	W117-V124 HydrophobicContact CH2-CG1 4.19Å; W117-V124 HydrophobicContact CZ3-CG1 4.07Å; G119-V124 VanDerWaalsContact CA-O 3.31Å; G119-V124 WeakPolarHBondContact CA-O 3.46Å; G119-V124 PolarHBondContact N-O 3.37Å; E121-V124 HydrophobicContact CB-CG2 3.88Å; E121-V124 WeakPolarHBondContact O-CB 3.47Å; E121-V124 PolarHBondContact O-N 3.04Å; P122-V124 VanDerWaalsContact C-N 3.31Å
125	N	93.5	Very high	94.9	Very high	95 Å²	95	73.3 Å²	73.3	51%	0.508	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	153.7	-174.9	-63	-31.8	0	0	0	111.4	W117 E118 G123	W117-N125 CarbonylContact O-C 3.56Å; W117-N125 WeakPolarHBondContact O-CA 3.35Å; E118-N125 WeakPolarHBondContact CA-OD1 3.29Å; E118-N125 WeakPolarHBondContact CB-OD1 3.3Å; E118-N125 WeakPolarHBondContact CG-OD1 3.41Å; G123-N125 PolarHBondContact O-N 3.18Å; G123-N125 VanDerWaalsContact O-N 3.13Å
126	S	94.1	Very high	94.9	Very high	45 Å²	45	74 Å²	74	32%	0.315	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.3	173.7	-173.7	0	0	0	0	110.8	W117	W117-S126 PolarHBondContact N-O 3.27Å; W117-S126 PolarHBondContact O-N 3.36Å
127	R	96.6	Very high	95	Very high	174 Å²	174	67.6 Å²	67.6	66%	0.657	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.6	135.5	175.5	-64.2	179.1	175.4	171.9	-2	107.4	V113 Y115 M116	V113-R127 HydrophobicContact CG1-CB 4.15Å; V113-R127 HydrophobicContact CG2-CB 4.37Å; Y115-R127 WeakPolarHBondContact O-CA 3.15Å; M116-R127 HydrophobicContact CG-CG 4.48Å
128	I	97.8	Very high	95.1	Very high	24 Å²	24	66.6 Å²	66.6	12%	0.123	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.7	-179.7	-52.2	179.4	0	0	0	107.7	A114 Y115 E132 L133 P163	A114-I128 PolarHBondContact N-O 3.08Å; Y115-I128 PolarHBondContact N-O 3.46Å; Y115-I128 PolarHBondContact O-N 3.17Å; I128-E132 HydrophobicContact CG2-CB 3.77Å; I128-L133 HydrophobicContact CG2-CB 3.84Å; I128-P163 HydrophobicContact CD1-CB 3.59Å; I128-P163 HydrophobicContact CD1-CG 4.4Å
129	T	98.5	Very high	95.3	Very high	26 Å²	26	64.8 Å²	64.8	16%	0.16	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	164.3	174.8	62.6	0	0	0	0	111.6	G110 D111 R112 S131 E132 L133	G110-T129 WeakPolarHBondContact O-CB 3.36Å; D111-T129 WeakPolarHBondContact O-CG2 3.29Å; R112-T129 VanDerWaalsContact O-CA 3.27Å; R112-T129 WeakPolarHBondContact O-CA 3.27Å; T129-S131 VanDerWaalsContact C-N 3.28Å; T129-S131 PolarHBondContact O-N 2.88Å; T129-E132 WeakPolarHBondContact CB-OE2 3.45Å; T129-E132 WeakPolarHBondContact CG2-OE2 3.2Å; T129-E132 PolarHBondContact N-OE2 3.36Å; T129-E132 PolarHBondContact O-N 3.05Å; T129-E132 WeakPolarHBondContact OG1-CB 3.3Å; T129-E132 WeakPolarHBondContact OG1-CG 3.31Å; T129-E132 PolarHBondContact OG1-N 2.86Å; T129-E132 PolarHBondContact OG1-OE2 3.47Å; T129-L133 VanDerWaalsContact O-CB 3.31Å; T129-L133 WeakPolarHBondContact O-CB 3.42Å; T129-L133 PolarHBondContact O-N 3.22Å
130	Y	98.6	Very high	95.6	Very high	46 Å²	46	66.7 Å²	66.7	18%	0.18	36%	0.358	C	S	.	.	H	α-helix	trans	-58.4	-42.1	175.1	-81.3	-80.1	0	0	0	111.9	V100 L101 N104 L109 G110 R112 A114 L133 L134	V100-Y130 VanDerWaalsContact O-CE1 3.25Å; V100-Y130 WeakPolarHBondContact O-CE1 3.41Å; L101-Y130 HydrophobicContact CD2-CD1 4.05Å; N104-Y130 HydrophobicContact CB-CD1 3.93Å; N104-Y130 HydrophobicContact CB-CE1 3.86Å; N104-Y130 HydrophobicContact CB-CG 4.33Å; L109-Y130 HydrophobicContact CB-CD2 4.42Å; L109-Y130 VanDerWaalsContact O-CD2 3.29Å; L109-Y130 WeakPolarHBondContact O-CD2 3.41Å; G110-Y130 PolarHBondContact O-N 2.99Å; R112-Y130 HydrophobicContact CB-CD2 4.2Å; R112-Y130 HydrophobicContact CB-CE2 4.42Å; R112-Y130 WeakPolarHBondContact O-CD2 3.48Å; R112-Y130 PolarHBondContact O-N 3.26Å; A114-Y130 HydrophobicContact CB-CD1 3.71Å; A114-Y130 HydrophobicContact CB-CD2 3.71Å; A114-Y130 HydrophobicContact CB-CE1 3.8Å; A114-Y130 HydrophobicContact CB-CE2 3.8Å; A114-Y130 HydrophobicContact CB-CG 3.66Å; Y130-L133 PolarHBondContact O-N 3.46Å; Y130-L134 WeakPolarHBondContact O-CB 3.31Å; Y130-L134 PolarHBondContact O-N 3.29Å
131	S	98.5	Very high	96.1	Very high	46 Å²	46	63.3 Å²	63.3	32%	0.322	34%	0.34	S	S	.	.	H	α-helix	trans	-63.2	-45.8	178.8	-65.9	0	0	0	0	112.4	G110 T129 L134 N135	G110-S131 VanDerWaalsContact C-OG 3.3Å; G110-S131 VanDerWaalsContact CA-OG 3.25Å; G110-S131 WeakPolarHBondContact CA-OG 3.18Å; G110-S131 PolarHBondContact O-N 3.36Å; G110-S131 PolarHBondContact O-OG 3.25Å; T129-S131 VanDerWaalsContact C-N 3.28Å; T129-S131 PolarHBondContact O-N 2.88Å; S131-L134 PolarHBondContact O-N 3.18Å; S131-N135 PolarHBondContact O-N 2.9Å
132	E	98.4	Very high	96.6	Very high	100 Å²	100	62.4 Å²	62.4	47%	0.467	34%	0.339	S	S	.	.	H	α-helix	trans	-63.9	-44.1	176.2	-71.1	162.3	154.7	0	0	111.3	I128 T129 L134 N135 E136	I128-E132 HydrophobicContact CG2-CB 3.77Å; T129-E132 WeakPolarHBondContact CB-OE2 3.45Å; T129-E132 WeakPolarHBondContact CG2-OE2 3.2Å; T129-E132 PolarHBondContact N-OE2 3.36Å; T129-E132 PolarHBondContact O-N 3.05Å; T129-E132 WeakPolarHBondContact OG1-CB 3.3Å; T129-E132 WeakPolarHBondContact OG1-CG 3.31Å; T129-E132 PolarHBondContact OG1-N 2.86Å; T129-E132 PolarHBondContact OG1-OE2 3.47Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 3.06Å; E132-N135 WeakPolarHBondContact O-CB 3.28Å; E132-N135 PolarHBondContact O-N 3.42Å; E132-E136 PolarHBondContact O-N 3.44Å
133	L	98.5	Very high	97.1	Very high	8 Å²	8	60.3 Å²	60.3	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-62.8	-41.5	178.6	-176.1	54.8	0	0	0	111.3	L101 A114 I128 T129 Y130 N135 E136 V137 V167 L170	L101-L133 HydrophobicContact CD1-CG 4.3Å; L101-L133 HydrophobicContact CD2-CB 4.2Å; L101-L133 HydrophobicContact CD2-CD2 3.61Å; L101-L133 HydrophobicContact CD2-CG 3.77Å; A114-L133 HydrophobicContact CB-CD2 4.21Å; I128-L133 HydrophobicContact CG2-CB 3.84Å; T129-L133 VanDerWaalsContact O-CB 3.31Å; T129-L133 WeakPolarHBondContact O-CB 3.42Å; T129-L133 PolarHBondContact O-N 3.22Å; Y130-L133 PolarHBondContact O-N 3.46Å; L133-N135 VanDerWaalsContact C-N 3.33Å; L133-N135 PolarHBondContact O-N 2.8Å; L133-E136 PolarHBondContact O-N 3.42Å; L133-V137 HydrophobicContact CD1-CG2 4.14Å; L133-V137 HydrophobicContact CG-CG2 4.44Å; L133-V137 VanDerWaalsContact O-CB 3.3Å; L133-V137 WeakPolarHBondContact O-CB 3.33Å; L133-V137 WeakPolarHBondContact O-CG2 3.45Å; L133-V137 PolarHBondContact O-N 2.93Å; L133-V167 HydrophobicContact CD1-CG2 3.65Å; L133-L170 HydrophobicContact CD2-CD1 4.11Å; L133-L170 HydrophobicContact CG-CD1 4.36Å
134	L	98.5	Very high	97.5	Very high	33 Å²	33	57.4 Å²	57.4	17%	0.173	29%	0.293	C	S	.	.	H	α-helix	trans	-61.3	-42.6	174.6	179.2	62.9	0	0	0	111.8	L101 I105 Y130 S131 E132 V137 C138	L101-L134 HydrophobicContact CB-CB 4.33Å; L101-L134 HydrophobicContact CB-CD1 4.05Å; L101-L134 HydrophobicContact CD1-CB 4.28Å; L101-L134 HydrophobicContact CD1-CD1 4.07Å; I105-L134 HydrophobicContact CD1-CB 3.61Å; I105-L134 HydrophobicContact CD1-CD2 3.38Å; I105-L134 HydrophobicContact CD1-CG 4.07Å; Y130-L134 WeakPolarHBondContact O-CB 3.31Å; Y130-L134 PolarHBondContact O-N 3.29Å; S131-L134 PolarHBondContact O-N 3.18Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 3.06Å; L134-V137 PolarHBondContact O-N 3.47Å; L134-C138 WeakPolarHBondContact O-CB 3.44Å; L134-C138 PolarHBondContact O-N 3.43Å; L134-C138 PolarHBondContact O-SG 2.8Å
135	N	98.5	Very high	97.9	Very high	84 Å²	84	59.5 Å²	59.5	45%	0.449	30%	0.296	S	S	.	.	H	α-helix	trans	-59.9	-50.5	178.1	-172.9	35.5	0	0	0	111.4	S131 E132 L133 V137 C138 K139	S131-N135 PolarHBondContact O-N 2.9Å; E132-N135 WeakPolarHBondContact O-CB 3.28Å; E132-N135 PolarHBondContact O-N 3.42Å; L133-N135 VanDerWaalsContact C-N 3.33Å; L133-N135 PolarHBondContact O-N 2.8Å; N135-V137 PolarHBondContact O-N 3.34Å; N135-C138 PolarHBondContact O-N 3.34Å; N135-K139 WeakPolarHBondContact ND2-CE 3.42Å; N135-K139 PolarHBondContact ND2-NZ 3.04Å; N135-K139 WeakPolarHBondContact O-CG 3.38Å; N135-K139 PolarHBondContact O-N 3.03Å
136	E	98.5	Very high	98.2	Very high	81 Å²	81	66 Å²	66	38%	0.379	31%	0.313	S	S	.	.	H	α-helix	trans	-63.7	-40.7	178.7	-67.4	-50.1	125	0	0	112.5	E132 L133 C138 K139 F140 V167	E132-E136 PolarHBondContact O-N 3.44Å; L133-E136 PolarHBondContact O-N 3.42Å; E136-C138 VanDerWaalsContact C-N 3.33Å; E136-C138 PolarHBondContact O-N 3.41Å; E136-K139 PolarHBondContact O-N 2.81Å; E136-K139 IonicContact OE1-NZ 2.77Å; E136-K139 PolarHBondContact OE1-NZ 3.48Å; E136-F140 WeakPolarHBondContact O-CB 3.37Å; E136-F140 PolarHBondContact O-N 3.02Å; E136-V167 HydrophobicContact CB-CG1 4.05Å; E136-V167 HydrophobicContact CB-CG2 4.03Å
137	V	98.7	Very high	98.3	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-61.8	-40.9	174.8	166.9	0	0	0	0	111.6	L101 L133 L134 N135 A141 V167 L170 A171 R174	L101-V137 HydrophobicContact CD1-CB 4.07Å; L101-V137 HydrophobicContact CD1-CG1 4.19Å; L101-V137 HydrophobicContact CD1-CG2 3.91Å; L133-V137 HydrophobicContact CD1-CG2 4.14Å; L133-V137 HydrophobicContact CG-CG2 4.44Å; L133-V137 VanDerWaalsContact O-CB 3.3Å; L133-V137 WeakPolarHBondContact O-CB 3.33Å; L133-V137 WeakPolarHBondContact O-CG2 3.45Å; L133-V137 PolarHBondContact O-N 2.93Å; L134-V137 PolarHBondContact O-N 3.47Å; N135-V137 PolarHBondContact O-N 3.34Å; V137-A141 WeakPolarHBondContact O-CB 3.42Å; V137-A141 PolarHBondContact O-N 3Å; V137-V167 HydrophobicContact CG2-CB 4.41Å; V137-V167 HydrophobicContact CG2-CG1 4.17Å; V137-L170 HydrophobicContact CG1-CB 4.05Å; V137-L170 HydrophobicContact CG2-CB 3.65Å; V137-L170 HydrophobicContact CG2-CD1 4.24Å; V137-A171 HydrophobicContact CG1-CB 4.37Å; V137-R174 HydrophobicContact CG1-CB 4.44Å
138	C	98.6	Very high	98.4	Very high	37 Å²	37	64.2 Å²	64.2	25%	0.25	31%	0.313	C	S	.	.	H	α-helix	trans	-67.3	-42.5	177.1	-70.2	0	0	0	0	112	L134 N135 E136 A141 N142 R174	L134-C138 WeakPolarHBondContact O-CB 3.44Å; L134-C138 PolarHBondContact O-N 3.43Å; L134-C138 PolarHBondContact O-SG 2.8Å; N135-C138 PolarHBondContact O-N 3.34Å; E136-C138 VanDerWaalsContact C-N 3.33Å; E136-C138 PolarHBondContact O-N 3.41Å; C138-A141 PolarHBondContact O-N 3.25Å; C138-N142 VanDerWaalsContact O-CG 3.28Å; C138-N142 PolarHBondContact O-N 2.79Å; C138-N142 VanDerWaalsContact O-N 3.08Å; C138-N142 PolarHBondContact O-ND2 3.12Å; C138-R174 PolarHBondContact SG-NE 3.01Å; C138-R174 VanDerWaalsContact SG-NE 3.42Å
139	K	98.6	Very high	98.4	Very high	102 Å²	102	63.3 Å²	63.3	44%	0.443	31%	0.309	S	S	.	.	H	α-helix	trans	-58.2	-51.2	174.3	-71.4	173.5	-174	170.4	0	110.9	N135 E136 A141 N142 V143	N135-K139 WeakPolarHBondContact ND2-CE 3.42Å; N135-K139 PolarHBondContact ND2-NZ 3.04Å; N135-K139 WeakPolarHBondContact O-CG 3.38Å; N135-K139 PolarHBondContact O-N 3.03Å; E136-K139 PolarHBondContact O-N 2.81Å; E136-K139 IonicContact OE1-NZ 2.77Å; E136-K139 PolarHBondContact OE1-NZ 3.48Å; K139-A141 PolarHBondContact O-N 3.03Å; K139-N142 WeakPolarHBondContact O-CB 3.4Å; K139-N142 PolarHBondContact O-N 2.92Å; K139-N142 VanDerWaalsContact O-N 3.14Å; K139-V143 PolarHBondContact O-N 2.91Å; K139-V143 VanDerWaalsContact O-N 3.12Å
140	F	98.5	Very high	98.4	Very high	54 Å²	54	71 Å²	71	24%	0.237	34%	0.335	C	S	.	.	H	α-helix	trans	-69.2	-35.8	-177.6	-157.3	-87.4	0	0	0	112.4	E136 N142 V143 L144 V167 V168 A171 I204	E136-F140 WeakPolarHBondContact O-CB 3.37Å; E136-F140 PolarHBondContact O-N 3.02Å; F140-N142 PolarHBondContact O-N 3.38Å; F140-V143 WeakPolarHBondContact O-CB 3.42Å; F140-V143 PolarHBondContact O-N 3.45Å; F140-V143 VanDerWaalsContact O-N 3.07Å; F140-L144 HydrophobicContact CD1-CD1 4.11Å; F140-L144 HydrophobicContact CD1-CD2 4.47Å; F140-L144 HydrophobicContact CD1-CG 3.99Å; F140-L144 HydrophobicContact CE1-CD1 4.17Å; F140-L144 HydrophobicContact CE1-CD2 3.85Å; F140-L144 HydrophobicContact CE1-CG 3.87Å; F140-L144 PolarHBondContact O-N 3.43Å; F140-V167 HydrophobicContact CB-CG1 4.01Å; F140-V168 HydrophobicContact CD1-CB 4.44Å; F140-V168 HydrophobicContact CD1-CG1 4.44Å; F140-V168 HydrophobicContact CD1-CG2 3.95Å; F140-V168 HydrophobicContact CD2-CG2 4.4Å; F140-V168 HydrophobicContact CE1-CB 4.2Å; F140-V168 HydrophobicContact CE1-CG1 3.86Å; F140-V168 HydrophobicContact CE1-CG2 3.62Å; F140-V168 HydrophobicContact CE2-CG2 4.09Å; F140-V168 HydrophobicContact CG-CG2 4.34Å; F140-V168 HydrophobicContact CZ-CG1 4.46Å; F140-V168 HydrophobicContact CZ-CG2 3.69Å; F140-A171 HydrophobicContact CB-CB 4.08Å; F140-A171 HydrophobicContact CD1-CB 3.9Å; F140-A171 HydrophobicContact CG-CB 4.47Å; F140-I204 HydrophobicContact CE1-CD1 3.7Å; F140-I204 HydrophobicContact CZ-CD1 3.89Å; F140-I204 HydrophobicContact CZ-CG1 4.5Å; F140-I204 HydrophobicContact CZ-CG2 4.24Å
141	A	98.5	Very high	98.3	Very high	2 Å²	2	78.7 Å²	78.7	2%	0.017	36%	0.364	C	S	.	.	H	α-helix	trans	-57.9	-37.5	171.5	0	0	0	0	0	112.1	V137 C138 K139 L144 K145 A171 I175	V137-A141 WeakPolarHBondContact O-CB 3.42Å; V137-A141 PolarHBondContact O-N 3Å; C138-A141 PolarHBondContact O-N 3.25Å; K139-A141 PolarHBondContact O-N 3.03Å; A141-L144 PolarHBondContact O-N 3.2Å; A141-K145 WeakPolarHBondContact O-CG 3.47Å; A141-K145 PolarHBondContact O-N 3.16Å; A141-A171 HydrophobicContact CB-CB 4.18Å; A141-I175 HydrophobicContact CB-CG2 3.71Å
142	N	98.6	Very high	98.2	Very high	96 Å²	96	78.4 Å²	78.4	51%	0.513	37%	0.368	S	S	.	.	H	α-helix	trans	-70	-35	175.1	-68.8	-25.3	0	0	0	112.4	C138 K139 F140 K145 R146	C138-N142 VanDerWaalsContact O-CG 3.28Å; C138-N142 PolarHBondContact O-N 2.79Å; C138-N142 VanDerWaalsContact O-N 3.08Å; C138-N142 PolarHBondContact O-ND2 3.12Å; K139-N142 WeakPolarHBondContact O-CB 3.4Å; K139-N142 PolarHBondContact O-N 2.92Å; K139-N142 VanDerWaalsContact O-N 3.14Å; F140-N142 PolarHBondContact O-N 3.38Å; N142-K145 PolarHBondContact O-N 2.75Å; N142-R146 WeakPolarHBondContact O-CB 3.38Å; N142-R146 PolarHBondContact O-N 3.07Å
143	V	98.4	Very high	98.2	Very high	72 Å²	72	74.9 Å²	74.9	44%	0.436	35%	0.352	S	S	.	.	H	α-helix	trans	-59.9	-48.5	171.3	175.7	0	0	0	0	110.6	K139 F140 K145 R146 K147	K139-V143 PolarHBondContact O-N 2.91Å; K139-V143 VanDerWaalsContact O-N 3.12Å; F140-V143 WeakPolarHBondContact O-CB 3.42Å; F140-V143 PolarHBondContact O-N 3.45Å; F140-V143 VanDerWaalsContact O-N 3.07Å; V143-K145 PolarHBondContact O-N 3.02Å; V143-R146 PolarHBondContact O-N 2.79Å; V143-K147 WeakPolarHBondContact O-CG 3.37Å; V143-K147 PolarHBondContact O-N 3.11Å
144	L	98.5	Very high	98.1	Very high	4 Å²	4	78.1 Å²	78.1	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-59.6	-46.7	177.9	-67.1	178.4	0	0	0	112.1	F140 A141 R146 K147 G148 V149 A171 I175 I204	F140-L144 HydrophobicContact CD1-CD1 4.11Å; F140-L144 HydrophobicContact CD1-CD2 4.47Å; F140-L144 HydrophobicContact CD1-CG 3.99Å; F140-L144 HydrophobicContact CE1-CD1 4.17Å; F140-L144 HydrophobicContact CE1-CD2 3.85Å; F140-L144 HydrophobicContact CE1-CG 3.87Å; F140-L144 PolarHBondContact O-N 3.43Å; A141-L144 PolarHBondContact O-N 3.2Å; L144-R146 VanDerWaalsContact C-N 3.33Å; L144-R146 PolarHBondContact O-N 2.77Å; L144-K147 CarbonylContact O-C 3.54Å; L144-K147 PolarHBondContact O-N 3.47Å; L144-K147 VanDerWaalsContact O-N 3.16Å; L144-G148 PolarHBondContact O-N 3.36Å; L144-V149 HydrophobicContact CB-CB 4.13Å; L144-V149 HydrophobicContact CB-CG2 4.19Å; L144-V149 HydrophobicContact CD2-CG2 4.26Å; L144-V149 WeakPolarHBondContact O-CB 3.49Å; L144-V149 WeakPolarHBondContact O-CG2 3.15Å; L144-V149 PolarHBondContact O-N 3.02Å; L144-A171 HydrophobicContact CD1-CB 4.16Å; L144-I175 HydrophobicContact CB-CD1 3.7Å; L144-I175 HydrophobicContact CD1-CD1 3.95Å; L144-I175 HydrophobicContact CG-CD1 4.5Å; L144-I204 HydrophobicContact CD2-CD1 3.97Å
145	K	98.3	Very high	98.1	Very high	121 Å²	121	76.5 Å²	76.5	53%	0.526	36%	0.355	S	S	.	.	H	α-helix	trans	-58.8	-43.9	175.2	-73.6	174	-179.5	175.6	0	111.8	A141 N142 V143 K147 G148 I175	A141-K145 WeakPolarHBondContact O-CG 3.47Å; A141-K145 PolarHBondContact O-N 3.16Å; N142-K145 PolarHBondContact O-N 2.75Å; V143-K145 PolarHBondContact O-N 3.02Å; K145-K147 VanDerWaalsContact C-N 3.26Å; K145-K147 PolarHBondContact O-N 3.44Å; K145-G148 WeakPolarHBondContact O-CA 3.34Å; K145-G148 PolarHBondContact O-N 2.98Å; K145-I175 HydrophobicContact CD-CG2 4.38Å; K145-I175 HydrophobicContact CG-CG2 4.21Å
146	R	98.3	Very high	98.1	Very high	230 Å²	230	72.5 Å²	72.5	87%	0.868	33%	0.334	S	S	*	.	H	α-helix	trans	-63.9	-31.8	177.7	-173.9	176.8	179.5	-173.5	0.8	112.3	N142 V143 L144 G148	N142-R146 WeakPolarHBondContact O-CB 3.38Å; N142-R146 PolarHBondContact O-N 3.07Å; V143-R146 PolarHBondContact O-N 2.79Å; L144-R146 VanDerWaalsContact C-N 3.33Å; L144-R146 PolarHBondContact O-N 2.77Å; R146-G148 PolarHBondContact O-N 3.15Å
147	K	97.8	Very high	98.1	Very high	153 Å²	153	68.7 Å²	68.7	67%	0.665	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	4.7	171.8	-65	-69.4	-174.3	175.8	0	113.5	V143 L144 K145 I202	V143-K147 WeakPolarHBondContact O-CG 3.37Å; V143-K147 PolarHBondContact O-N 3.11Å; L144-K147 CarbonylContact O-C 3.54Å; L144-K147 PolarHBondContact O-N 3.47Å; L144-K147 VanDerWaalsContact O-N 3.16Å; K145-K147 VanDerWaalsContact C-N 3.26Å; K145-K147 PolarHBondContact O-N 3.44Å; K147-I202 HydrophobicContact CB-CD1 3.41Å; K147-I202 VanDerWaalsContact CB-CD1 3.41Å; K147-I202 HydrophobicContact CG-CD1 4.29Å
148	G	97.8	Very high	98	Very high	30 Å²	30	68.7 Å²	68.7	31%	0.309	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	11.9	172.7	0	0	0	0	0	115	L144 K145 R146 K201	L144-G148 PolarHBondContact O-N 3.36Å; K145-G148 WeakPolarHBondContact O-CA 3.34Å; K145-G148 PolarHBondContact O-N 2.98Å; R146-G148 PolarHBondContact O-N 3.15Å; G148-K201 WeakPolarHBondContact O-CE 3.5Å; G148-K201 PolarHBondContact O-NZ 2.97Å
149	V	98.3	Very high	97.9	Very high	5 Å²	5	67.6 Å²	67.6	3%	0.03	31%	0.308	C	S	.	.			trans	-69.3	130	174.6	-174.9	0	0	0	0	109.8	L144 D153 V155 I175 A177 I202	L144-V149 HydrophobicContact CB-CB 4.13Å; L144-V149 HydrophobicContact CB-CG2 4.19Å; L144-V149 HydrophobicContact CD2-CG2 4.26Å; L144-V149 WeakPolarHBondContact O-CB 3.49Å; L144-V149 WeakPolarHBondContact O-CG2 3.15Å; L144-V149 PolarHBondContact O-N 3.02Å; V149-D153 WeakPolarHBondContact CA-OD2 3.43Å; V149-D153 HydrophobicContact CG1-CB 3.92Å; V149-V155 HydrophobicContact CG1-CG2 3.86Å; V149-V155 HydrophobicContact CG2-CG2 4.33Å; V149-I175 HydrophobicContact CB-CD1 4.1Å; V149-I175 HydrophobicContact CG1-CD1 3.75Å; V149-A177 HydrophobicContact CG1-CB 3.7Å; V149-I202 HydrophobicContact CG2-CD1 3.29Å; V149-I202 HydrophobicContact CG2-CG1 3.93Å
150	R	97.2	Very high	97.7	Very high	187 Å²	187	63.5 Å²	63.5	71%	0.706	29%	0.291	S	S	*	.			trans	-120.3	171.5	179.2	-61.7	-179.4	-178.6	-177.8	-0.1	110.5	G152 D153	R150-G152 PolarHBondContact O-N 3.31Å; R150-D153 PolarHBondContact N-OD2 3.31Å; R150-D153 WeakPolarHBondContact O-CB 3.5Å; R150-D153 PolarHBondContact O-N 3.14Å; R150-D153 VanDerWaalsContact O-N 3.11Å
151	R	97.2	Very high	97.4	Very high	208 Å²	208	67.2 Å²	67.2	79%	0.785	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	131.2	172.8	-178.8	179.2	-180	-176	-0.7	110.1	D153 G176	R151-D153 VanDerWaalsContact C-N 3.31Å; R151-G176 CarbonylContact C-O 3.5Å; R151-G176 VanDerWaalsContact CA-O 3.3Å; R151-G176 WeakPolarHBondContact CA-O 3.41Å; R151-G176 WeakPolarHBondContact CG-O 3.35Å
152	G	96.1	Very high	97.2	Very high	39 Å²	39	69.1 Å²	69.1	40%	0.402	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	-10.1	-178.3	0	0	0	0	0	115.4	R150 R154 G176	R150-G152 PolarHBondContact O-N 3.31Å; G152-R154 PolarHBondContact O-NH1 2.87Å; G152-R154 VanDerWaalsContact O-NH1 3.15Å; G152-G176 PolarHBondContact N-O 2.84Å
153	D	98	Very high	97	Very high	26 Å²	26	65.5 Å²	65.5	14%	0.139	30%	0.302	C	S	.	.			trans	-67.9	143.2	170.1	-72.3	-19.5	0	0	0	109.8	V149 R150 R151 A177 V178 K201	V149-D153 WeakPolarHBondContact CA-OD2 3.43Å; V149-D153 HydrophobicContact CG1-CB 3.92Å; R150-D153 PolarHBondContact N-OD2 3.31Å; R150-D153 WeakPolarHBondContact O-CB 3.5Å; R150-D153 PolarHBondContact O-N 3.14Å; R150-D153 VanDerWaalsContact O-N 3.11Å; R151-D153 VanDerWaalsContact C-N 3.31Å; D153-A177 WeakPolarHBondContact O-CA 3.33Å; D153-A177 WeakPolarHBondContact O-CB 3.48Å; D153-V178 PolarHBondContact O-N 2.92Å; D153-K201 HydrophobicContact CB-CD 4.13Å; D153-K201 IonicContact OD1-NZ 2.76Å; D153-K201 WeakPolarHBondContact OD2-CD 3.2Å; D153-K201 IonicContact OD2-NZ 2.72Å; D153-K201 PolarHBondContact OD2-NZ 3.48Å
154	R	98.1	Very high	96.9	Very high	76 Å²	76	66.9 Å²	66.9	29%	0.287	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	136.9	175.6	-59.5	71.2	36.6	-154.3	-2.4	110.3	G152 V178 T198 E199 S200 K201	G152-R154 PolarHBondContact O-NH1 2.87Å; G152-R154 VanDerWaalsContact O-NH1 3.15Å; R154-V178 CarbonylContact C-O 3.55Å; R154-V178 VanDerWaalsContact CA-O 3.28Å; R154-V178 WeakPolarHBondContact CA-O 3.48Å; R154-V178 HydrophobicContact CG-CB 4.36Å; R154-T198 WeakPolarHBondContact CB-O 3.39Å; R154-T198 WeakPolarHBondContact CD-O 3.36Å; R154-T198 WeakPolarHBondContact CG-O 3.36Å; R154-T198 PolarHBondContact NE-O 3.09Å; R154-E199 PolarHBondContact NE-O 3.13Å; R154-E199 PolarHBondContact NH2-O 2.91Å; R154-S200 WeakPolarHBondContact CB-OG 3.12Å; R154-K201 PolarHBondContact O-N 3.37Å
155	V	98.5	Very high	96.9	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	114.4	177.4	179.4	0	0	0	0	108.3	V149 I157 A177 V178 H179 A180 I202 I204	V149-V155 HydrophobicContact CG1-CG2 3.86Å; V149-V155 HydrophobicContact CG2-CG2 4.33Å; V155-I157 HydrophobicContact CG1-CG1 4.48Å; V155-A177 HydrophobicContact CG2-CB 4.25Å; V155-V178 PolarHBondContact N-O 2.86Å; V155-H179 CarbonylContact O-C 3.58Å; V155-H179 WeakPolarHBondContact O-CA 3.41Å; V155-A180 PolarHBondContact O-N 2.72Å; V155-I202 WeakPolarHBondContact CA-O 3.44Å; V155-I204 HydrophobicContact CG1-CD1 3.49Å; V155-I204 VanDerWaalsContact CG1-CD1 3.49Å; V155-I204 HydrophobicContact CG1-CG1 4.11Å
156	T	98.2	Very high	96.8	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	131.4	173.1	-60.5	0	0	0	0	109.3	A180 V182 L191 I195 S200 I202 L203 I204	T156-A180 WeakPolarHBondContact CA-O 3.3Å; T156-V182 HydrophobicContact CG2-CG2 3.8Å; T156-L191 HydrophobicContact CG2-CD1 3.97Å; T156-I195 HydrophobicContact CG2-CG1 4.08Å; T156-S200 WeakPolarHBondContact OG1-CB 3.41Å; T156-S200 PolarHBondContact OG1-OG 3.37Å; T156-I202 PolarHBondContact N-O 2.92Å; T156-L203 HydrophobicContact CG2-CD1 3.42Å; T156-L203 VanDerWaalsContact CG2-CD1 3.42Å; T156-L203 WeakPolarHBondContact O-CA 3.38Å; T156-I204 PolarHBondContact O-N 2.9Å
157	I	98	Very high	96.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	116.2	176.6	-53.1	172.6	0	0	0	108.1	V155 L159 L165 V168 M169 H179 A180 V181 V182	V155-I157 HydrophobicContact CG1-CG1 4.48Å; I157-L159 HydrophobicContact CG2-CB 4.14Å; I157-L159 HydrophobicContact CG2-CD1 3.81Å; I157-L159 HydrophobicContact CG2-CG 3.9Å; I157-L165 HydrophobicContact CG2-CD1 3.69Å; I157-V168 HydrophobicContact CD1-CB 4.25Å; I157-V168 HydrophobicContact CD1-CG1 3.55Å; I157-V168 HydrophobicContact CG1-CG1 3.76Å; I157-V168 HydrophobicContact CG2-CG1 4.31Å; I157-M169 HydrophobicContact CD1-CG 3.78Å; I157-H179 HydrophobicContact CD1-CB 3.65Å; I157-H179 HydrophobicContact CG1-CB 4.41Å; I157-A180 PolarHBondContact N-O 3.02Å; I157-V181 HydrophobicContact CB-CG2 4.3Å; I157-V181 HydrophobicContact CD1-CG2 4.09Å; I157-V182 PolarHBondContact O-N 3.44Å
158	Y	97.4	Very high	96.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	69	176.9	-171.8	-109.7	0	0	0	109.3	V182 F183 G184 Y186 L191 I204 T205 L218 I221	Y158-V182 HydrophobicContact CD2-CB 3.98Å; Y158-V182 HydrophobicContact CD2-CG1 3.92Å; Y158-V182 HydrophobicContact CE2-CG1 4.24Å; Y158-F183 VanDerWaalsContact CE2-O 3.31Å; Y158-F183 WeakPolarHBondContact CE2-O 3.47Å; Y158-G184 PolarHBondContact OH-O 2.93Å; Y158-G184 VanDerWaalsContact OH-O 3.13Å; Y158-Y186 PolarHBondContact OH-O 2.96Å; Y158-L191 HydrophobicContact CD1-CD2 3.89Å; Y158-L191 HydrophobicContact CD2-CD1 4.02Å; Y158-L191 HydrophobicContact CD2-CD2 4.11Å; Y158-L191 HydrophobicContact CE1-CD2 4.12Å; Y158-L191 HydrophobicContact CE2-CD2 4.3Å; Y158-L191 HydrophobicContact CG-CD1 4.18Å; Y158-L191 HydrophobicContact CG-CD2 3.88Å; Y158-I204 PolarHBondContact N-O 3.03Å; Y158-T205 WeakPolarHBondContact O-CA 3.5Å; Y158-T205 PolarHBondContact O-OG1 2.9Å; Y158-L218 HydrophobicContact CD1-CB 4.39Å; Y158-L218 HydrophobicContact CD1-CD2 4.24Å; Y158-L218 HydrophobicContact CE1-CB 4.05Å; Y158-L218 HydrophobicContact CE1-CD2 3.49Å; Y158-L218 VanDerWaalsContact CE1-CD2 3.49Å; Y158-L218 HydrophobicContact CE1-CG 4.36Å; Y158-I221 HydrophobicContact CE1-CB 4.35Å; Y158-I221 HydrophobicContact CE1-CG2 4.25Å; Y158-I221 WeakPolarHBondContact OH-CG2 3.34Å
159	L	96.5	Very high	96.9	Very high	14 Å²	14	46.6 Å²	46.6	7%	0.073	22%	0.219	C	C	.	.			trans	-113.3	153.1	-177.6	-70.7	174.8	0	0	0	111	I157 I162 L165 V168 I204 T205 A206	I157-L159 HydrophobicContact CG2-CB 4.14Å; I157-L159 HydrophobicContact CG2-CD1 3.81Å; I157-L159 HydrophobicContact CG2-CG 3.9Å; L159-I162 HydrophobicContact CD2-CD1 4.4Å; L159-L165 HydrophobicContact CB-CB 4.42Å; L159-L165 HydrophobicContact CB-CD1 4.29Å; L159-V168 HydrophobicContact CD1-CB 4.43Å; L159-V168 HydrophobicContact CD1-CG2 3.94Å; L159-I204 HydrophobicContact CD1-CG2 4.08Å; L159-I204 HydrophobicContact CD2-CG2 4.42Å; L159-I204 HydrophobicContact CG-CG2 4.35Å; L159-T205 VanDerWaalsContact CD2-C 3.42Å; L159-A206 HydrophobicContact CD2-CB 3.84Å
160	P	93.9	Very high	96.9	Very high	16 Å²	16	47.5 Å²	47.5	10%	0.104	22%	0.223	C	C	.	.			trans	-70.8	178.9	168.2	30.8	-30.2	0	0	0	110.8	I162 A206 S209 L218	P160-I162 HydrophobicContact CB-CG2 4.39Å; P160-I162 HydrophobicContact CG-CB 4.44Å; P160-I162 HydrophobicContact CG-CD1 3.89Å; P160-I162 HydrophobicContact CG-CG1 3.95Å; P160-I162 HydrophobicContact CG-CG2 3.79Å; P160-I162 PolarHBondContact O-N 3.33Å; P160-A206 HydrophobicContact CG-CB 4.31Å; P160-S209 VanDerWaalsContact CB-CB 3.47Å; P160-L218 HydrophobicContact CB-CD1 4.13Å; P160-L218 HydrophobicContact CG-CD1 3.93Å
161	M	92.1	Very high	96.9	Very high	132 Å²	132	38.6 Å²	38.6	65%	0.65	19%	0.19	S	C	*	.	S	Bend	trans	-74.8	63.6	175.1	-63.8	-60.3	-68.3	0	0	111	W117 L165	W117-M161 PolarHBondContact NE1-O 3.31Å; M161-L165 HydrophobicContact SD-CD2 3.88Å
162	I	93.8	Very high	97	Very high	43 Å²	43	28.7 Å²	28.7	22%	0.221	15%	0.152	C	C	.	.	S	Bend	trans	-108.9	159.1	176.5	57.9	175.9	0	0	0	110.1	L159 P160 E164 L165	L159-I162 HydrophobicContact CD2-CD1 4.4Å; P160-I162 HydrophobicContact CB-CG2 4.39Å; P160-I162 HydrophobicContact CG-CB 4.44Å; P160-I162 HydrophobicContact CG-CD1 3.89Å; P160-I162 HydrophobicContact CG-CG1 3.95Å; P160-I162 HydrophobicContact CG-CG2 3.79Å; P160-I162 PolarHBondContact O-N 3.33Å; I162-E164 WeakPolarHBondContact CB-OE2 3.48Å; I162-E164 HydrophobicContact CD1-CB 4.04Å; I162-E164 HydrophobicContact CD1-CG 4.44Å; I162-E164 VanDerWaalsContact CD1-OE2 3.32Å; I162-E164 WeakPolarHBondContact CD1-OE2 3.28Å; I162-E164 HydrophobicContact CG1-CB 4.17Å; I162-E164 WeakPolarHBondContact CG1-OE2 3.4Å; I162-E164 PolarHBondContact O-N 2.83Å; I162-E164 VanDerWaalsContact O-N 3.09Å; I162-L165 WeakPolarHBondContact O-CB 3.17Å; I162-L165 PolarHBondContact O-N 3.48Å
163	P	95.5	Very high	97.1	Very high	20 Å²	20	27.8 Å²	27.8	13%	0.13	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.7	-178.6	-23.9	34.6	0	0	0	114.8	W117 I128 L165 P166 V167	W117-P163 HydrophobicContact CB-CG 4.14Å; W117-P163 HydrophobicContact CD2-CG 3.95Å; W117-P163 HydrophobicContact CE3-CG 4.44Å; W117-P163 HydrophobicContact CG-CG 3.8Å; I128-P163 HydrophobicContact CD1-CB 3.59Å; I128-P163 HydrophobicContact CD1-CG 4.4Å; P163-L165 VanDerWaalsContact C-N 3.26Å; P163-L165 PolarHBondContact O-N 3.18Å; P163-P166 WeakPolarHBondContact O-CD 3.44Å; P163-P166 VanDerWaalsContact O-CG 3.23Å; P163-P166 WeakPolarHBondContact O-CG 3.42Å; P163-V167 WeakPolarHBondContact O-CG2 3.48Å
164	E	96.2	Very high	97.1	Very high	101 Å²	101	29.8 Å²	29.8	47%	0.472	15%	0.147	S	C	.	.	H	α-helix	trans	-66.7	-26.8	175.3	-66.4	77.5	-178.1	0	0	112.2	I162 V167 V168	I162-E164 WeakPolarHBondContact CB-OE2 3.48Å; I162-E164 HydrophobicContact CD1-CB 4.04Å; I162-E164 HydrophobicContact CD1-CG 4.44Å; I162-E164 VanDerWaalsContact CD1-OE2 3.32Å; I162-E164 WeakPolarHBondContact CD1-OE2 3.28Å; I162-E164 HydrophobicContact CG1-CB 4.17Å; I162-E164 WeakPolarHBondContact CG1-OE2 3.4Å; I162-E164 PolarHBondContact O-N 2.83Å; I162-E164 VanDerWaalsContact O-N 3.09Å; E164-V167 WeakPolarHBondContact O-CB 3.19Å; E164-V167 PolarHBondContact O-N 3.31Å; E164-V168 WeakPolarHBondContact O-CB 3.4Å; E164-V168 WeakPolarHBondContact O-CG2 3.3Å; E164-V168 PolarHBondContact O-N 3.45Å
165	L	96.9	Very high	97.1	Very high	17 Å²	17	27.4 Å²	27.4	9%	0.089	14%	0.14	C	C	.	.	H	α-helix	trans	-57.4	-57.3	179	173.9	60.1	0	0	0	112.1	I157 L159 M161 I162 P163 V167 V168 M169 V181	I157-L165 HydrophobicContact CG2-CD1 3.69Å; L159-L165 HydrophobicContact CB-CB 4.42Å; L159-L165 HydrophobicContact CB-CD1 4.29Å; M161-L165 HydrophobicContact SD-CD2 3.88Å; I162-L165 WeakPolarHBondContact O-CB 3.17Å; I162-L165 PolarHBondContact O-N 3.48Å; P163-L165 VanDerWaalsContact C-N 3.26Å; P163-L165 PolarHBondContact O-N 3.18Å; L165-V167 VanDerWaalsContact C-N 3.29Å; L165-V167 PolarHBondContact O-N 3.5Å; L165-V168 PolarHBondContact O-N 3.43Å; L165-M169 HydrophobicContact CD1-CG 4.32Å; L165-M169 HydrophobicContact CD1-SD 3.99Å; L165-M169 HydrophobicContact CG-SD 4.09Å; L165-M169 VanDerWaalsContact O-CG 3.3Å; L165-M169 WeakPolarHBondContact O-CG 3.36Å; L165-M169 PolarHBondContact O-N 2.91Å; L165-V181 HydrophobicContact CD1-CG1 4.27Å
166	P	97.3	Very high	97	Very high	20 Å²	20	28.7 Å²	28.7	13%	0.13	15%	0.153	C	C	.	.	H	α-helix	trans	-64.2	-32.2	175.2	24.8	-34.4	0	0	0	112.8	Y115 P163 V168 M169 L170	Y115-P166 HydrophobicContact CD2-CG 4.38Å; Y115-P166 HydrophobicContact CE1-CG 4.22Å; Y115-P166 HydrophobicContact CE2-CB 4.4Å; Y115-P166 HydrophobicContact CE2-CG 3.96Å; P163-P166 WeakPolarHBondContact O-CD 3.44Å; P163-P166 VanDerWaalsContact O-CG 3.23Å; P163-P166 WeakPolarHBondContact O-CG 3.42Å; P166-V168 PolarHBondContact O-N 3.23Å; P166-M169 PolarHBondContact O-N 3.42Å; P166-L170 WeakPolarHBondContact O-CB 3.32Å; P166-L170 VanDerWaalsContact O-CG 3.28Å; P166-L170 WeakPolarHBondContact O-CG 3.36Å; P166-L170 PolarHBondContact O-N 2.89Å
167	V	98.4	Very high	97	Very high	13 Å²	13	29 Å²	29	8%	0.079	16%	0.155	C	C	.	.	H	α-helix	trans	-58.9	-48.7	174.5	171.2	0	0	0	0	110.6	L133 E136 V137 F140 P163 E164 L165 L170 A171	L133-V167 HydrophobicContact CD1-CG2 3.65Å; E136-V167 HydrophobicContact CB-CG1 4.05Å; E136-V167 HydrophobicContact CB-CG2 4.03Å; V137-V167 HydrophobicContact CG2-CB 4.41Å; V137-V167 HydrophobicContact CG2-CG1 4.17Å; F140-V167 HydrophobicContact CB-CG1 4.01Å; P163-V167 WeakPolarHBondContact O-CG2 3.48Å; E164-V167 WeakPolarHBondContact O-CB 3.19Å; E164-V167 PolarHBondContact O-N 3.31Å; L165-V167 VanDerWaalsContact C-N 3.29Å; L165-V167 PolarHBondContact O-N 3.5Å; V167-L170 PolarHBondContact O-N 2.84Å; V167-A171 WeakPolarHBondContact O-CB 3.23Å; V167-A171 PolarHBondContact O-N 3.41Å
168	V	98.2	Very high	97	Very high	1 Å²	1	33 Å²	33	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-66.7	-42.3	-179.3	177.2	0	0	0	0	111.1	F140 I157 L159 E164 L165 P166 A171 C172 I204	F140-V168 HydrophobicContact CD1-CB 4.44Å; F140-V168 HydrophobicContact CD1-CG1 4.44Å; F140-V168 HydrophobicContact CD1-CG2 3.95Å; F140-V168 HydrophobicContact CD2-CG2 4.4Å; F140-V168 HydrophobicContact CE1-CB 4.2Å; F140-V168 HydrophobicContact CE1-CG1 3.86Å; F140-V168 HydrophobicContact CE1-CG2 3.62Å; F140-V168 HydrophobicContact CE2-CG2 4.09Å; F140-V168 HydrophobicContact CG-CG2 4.34Å; F140-V168 HydrophobicContact CZ-CG1 4.46Å; F140-V168 HydrophobicContact CZ-CG2 3.69Å; I157-V168 HydrophobicContact CD1-CB 4.25Å; I157-V168 HydrophobicContact CD1-CG1 3.55Å; I157-V168 HydrophobicContact CG1-CG1 3.76Å; I157-V168 HydrophobicContact CG2-CG1 4.31Å; L159-V168 HydrophobicContact CD1-CB 4.43Å; L159-V168 HydrophobicContact CD1-CG2 3.94Å; E164-V168 WeakPolarHBondContact O-CB 3.4Å; E164-V168 WeakPolarHBondContact O-CG2 3.3Å; E164-V168 PolarHBondContact O-N 3.45Å; L165-V168 PolarHBondContact O-N 3.43Å; P166-V168 PolarHBondContact O-N 3.23Å; V168-A171 PolarHBondContact O-N 3.22Å; V168-C172 PolarHBondContact O-N 2.88Å; V168-C172 PolarHBondContact O-SG 3.4Å; V168-I204 HydrophobicContact CG1-CD1 3.34Å; V168-I204 HydrophobicContact CG1-CG2 4.41Å; V168-I204 HydrophobicContact CG2-CG2 4.35Å
169	M	98.5	Very high	97	Very high	61 Å²	61	36.3 Å²	36.3	30%	0.3	20%	0.195	S	C	.	.	H	α-helix	trans	-59	-49.8	175.9	-69.2	169.1	62.8	0	0	111.4	I157 L165 P166 A171 C172 A173 H179 V181	I157-M169 HydrophobicContact CD1-CG 3.78Å; L165-M169 HydrophobicContact CD1-CG 4.32Å; L165-M169 HydrophobicContact CD1-SD 3.99Å; L165-M169 HydrophobicContact CG-SD 4.09Å; L165-M169 VanDerWaalsContact O-CG 3.3Å; L165-M169 WeakPolarHBondContact O-CG 3.36Å; L165-M169 PolarHBondContact O-N 2.91Å; P166-M169 PolarHBondContact O-N 3.42Å; M169-A171 VanDerWaalsContact C-N 3.34Å; M169-A171 PolarHBondContact O-N 2.96Å; M169-C172 WeakPolarHBondContact O-CB 3.2Å; M169-C172 PolarHBondContact O-N 3.42Å; M169-A173 PolarHBondContact O-N 2.88Å; M169-H179 PolarHBondContact O-CD2 3.05Å; M169-V181 HydrophobicContact CE-CG2 4.38Å; M169-V181 HydrophobicContact CG-CG2 3.91Å; M169-V181 HydrophobicContact SD-CG2 4.01Å
170	L	98.6	Very high	96.9	Very high	23 Å²	23	36.8 Å²	36.8	12%	0.12	20%	0.201	C	C	.	.	H	α-helix	trans	-67.7	-34.1	179	-69	171.6	0	0	0	111.8	C97 V100 L101 L133 V137 P166 V167 A173 R174	C97-L170 HydrophobicContact CB-CD2 4.41Å; C97-L170 WeakPolarHBondContact CB-O 3.35Å; V100-L170 HydrophobicContact CB-CD2 4.14Å; V100-L170 HydrophobicContact CG1-CD1 4.24Å; V100-L170 HydrophobicContact CG1-CD2 4.04Å; V100-L170 HydrophobicContact CG2-CD2 4.27Å; L101-L170 HydrophobicContact CD1-CD1 4.11Å; L101-L170 HydrophobicContact CD2-CD1 4.33Å; L101-L170 HydrophobicContact CG-CD1 4.37Å; L133-L170 HydrophobicContact CD2-CD1 4.11Å; L133-L170 HydrophobicContact CG-CD1 4.36Å; V137-L170 HydrophobicContact CG1-CB 4.05Å; V137-L170 HydrophobicContact CG2-CB 3.65Å; V137-L170 HydrophobicContact CG2-CD1 4.24Å; P166-L170 WeakPolarHBondContact O-CB 3.32Å; P166-L170 VanDerWaalsContact O-CG 3.28Å; P166-L170 WeakPolarHBondContact O-CG 3.36Å; P166-L170 PolarHBondContact O-N 2.89Å; V167-L170 PolarHBondContact O-N 2.84Å; L170-A173 PolarHBondContact O-N 2.86Å; L170-R174 VanDerWaalsContact O-CB 3.31Å; L170-R174 WeakPolarHBondContact O-CB 3.34Å; L170-R174 PolarHBondContact O-N 2.78Å
171	A	98.7	Very high	97.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-42.1	174.2	0	0	0	0	0	112	V137 F140 A141 L144 V167 V168 M169 R174 I175	V137-A171 HydrophobicContact CG1-CB 4.37Å; F140-A171 HydrophobicContact CB-CB 4.08Å; F140-A171 HydrophobicContact CD1-CB 3.9Å; F140-A171 HydrophobicContact CG-CB 4.47Å; A141-A171 HydrophobicContact CB-CB 4.18Å; L144-A171 HydrophobicContact CD1-CB 4.16Å; V167-A171 WeakPolarHBondContact O-CB 3.23Å; V167-A171 PolarHBondContact O-N 3.41Å; V168-A171 PolarHBondContact O-N 3.22Å; M169-A171 VanDerWaalsContact C-N 3.34Å; M169-A171 PolarHBondContact O-N 2.96Å; A171-R174 PolarHBondContact O-N 2.75Å; A171-I175 PolarHBondContact O-N 2.84Å
172	C	98.6	Very high	97.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-50.3	172.7	-65.6	0	0	0	0	110.7	V168 M169 R174 I175 G176 A177 H179	V168-C172 PolarHBondContact O-N 2.88Å; V168-C172 PolarHBondContact O-SG 3.4Å; M169-C172 WeakPolarHBondContact O-CB 3.2Å; M169-C172 PolarHBondContact O-N 3.42Å; C172-R174 VanDerWaalsContact C-N 3.3Å; C172-R174 PolarHBondContact O-N 2.87Å; C172-I175 WeakPolarHBondContact O-CG1 3.34Å; C172-I175 PolarHBondContact O-N 2.67Å; C172-G176 PolarHBondContact O-N 2.98Å; C172-A177 CarbonylContact C-O 3.5Å; C172-A177 HydrophobicContact CB-CB 4.2Å; C172-A177 PolarHBondContact O-N 3.13Å; C172-H179 HydrophobicContact CB-CB 3.88Å
173	A	98	Very high	97.1	Very high	21 Å²	21	36.1 Å²	36.1	17%	0.174	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-37.4	178.2	0	0	0	0	0	112.6	N95 V96 C97 M169 L170 I175 G176	N95-A173 PolarHBondContact ND2-O 3.08Å; V96-A173 HydrophobicContact CB-CB 4.5Å; C97-A173 HydrophobicContact CB-CB 4.2Å; M169-A173 PolarHBondContact O-N 2.88Å; L170-A173 PolarHBondContact O-N 2.86Å; A173-I175 PolarHBondContact O-N 3.39Å; A173-G176 PolarHBondContact O-N 3.09Å
174	R	98.1	Very high	96.4	Very high	68 Å²	68	35.6 Å²	35.6	26%	0.257	19%	0.194	S	C	.	.	H	α-helix	trans	-61.9	-42	179.1	-169.6	169	-163	77.2	0.8	112.5	N95 C97 D102 V137 C138 L170 A171 C172 G176	N95-R174 PolarHBondContact ND2-O 3.25Å; N95-R174 VanDerWaalsContact ND2-O 3.16Å; C97-R174 HydrophobicContact CB-CB 3.89Å; C97-R174 PolarHBondContact SG-NH1 3.05Å; D102-R174 IonicContact OD1-CZ 3.63Å; D102-R174 IonicContact OD1-NH1 3.54Å; D102-R174 IonicContact OD1-NH2 2.78Å; D102-R174 PolarHBondContact OD1-NH2 3.21Å; D102-R174 IonicContact OD2-CZ 3.55Å; D102-R174 IonicContact OD2-NH1 2.72Å; D102-R174 PolarHBondContact OD2-NH1 3.05Å; D102-R174 IonicContact OD2-NH2 3.45Å; D102-R174 PolarHBondContact OD2-NH2 2.91Å; V137-R174 HydrophobicContact CG1-CB 4.44Å; C138-R174 PolarHBondContact SG-NE 3.01Å; C138-R174 VanDerWaalsContact SG-NE 3.42Å; L170-R174 VanDerWaalsContact O-CB 3.31Å; L170-R174 WeakPolarHBondContact O-CB 3.34Å; L170-R174 PolarHBondContact O-N 2.78Å; A171-R174 PolarHBondContact O-N 2.75Å; C172-R174 VanDerWaalsContact C-N 3.3Å; C172-R174 PolarHBondContact O-N 2.87Å; R174-G176 VanDerWaalsContact C-N 3.35Å
175	I	97.8	Very high	95.8	Very high	26 Å²	26	32.9 Å²	32.9	13%	0.133	19%	0.193	C	C	.	.	H	α-helix	trans	-88.4	-5.8	-180	71.3	176.8	0	0	0	113.1	A141 L144 K145 V149 A171 C172 A173 A177	A141-I175 HydrophobicContact CB-CG2 3.71Å; L144-I175 HydrophobicContact CB-CD1 3.7Å; L144-I175 HydrophobicContact CD1-CD1 3.95Å; L144-I175 HydrophobicContact CG-CD1 4.5Å; K145-I175 HydrophobicContact CD-CG2 4.38Å; K145-I175 HydrophobicContact CG-CG2 4.21Å; V149-I175 HydrophobicContact CB-CD1 4.1Å; V149-I175 HydrophobicContact CG1-CD1 3.75Å; A171-I175 PolarHBondContact O-N 2.84Å; C172-I175 WeakPolarHBondContact O-CG1 3.34Å; C172-I175 PolarHBondContact O-N 2.67Å; A173-I175 PolarHBondContact O-N 3.39Å; I175-A177 HydrophobicContact CD1-CB 4.04Å; I175-A177 HydrophobicContact CG1-CB 3.84Å
176	G	97.3	Very high	95.5	Very high	26 Å²	26	37 Å²	37	27%	0.268	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	20.1	-177.1	0	0	0	0	0	114.2	R151 G152 C172 A173 R174	R151-G176 CarbonylContact C-O 3.5Å; R151-G176 VanDerWaalsContact CA-O 3.3Å; R151-G176 WeakPolarHBondContact CA-O 3.41Å; R151-G176 WeakPolarHBondContact CG-O 3.35Å; G152-G176 PolarHBondContact N-O 2.84Å; C172-G176 PolarHBondContact O-N 2.98Å; A173-G176 PolarHBondContact O-N 3.09Å; R174-G176 VanDerWaalsContact C-N 3.35Å
177	A	98	Very high	95.4	Very high	7 Å²	7	38.8 Å²	38.8	6%	0.058	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-78.7	151.8	168.8	0	0	0	0	0	110.2	V149 D153 V155 C172 I175	V149-A177 HydrophobicContact CG1-CB 3.7Å; D153-A177 WeakPolarHBondContact O-CA 3.33Å; D153-A177 WeakPolarHBondContact O-CB 3.48Å; V155-A177 HydrophobicContact CG2-CB 4.25Å; C172-A177 CarbonylContact C-O 3.5Å; C172-A177 HydrophobicContact CB-CB 4.2Å; C172-A177 PolarHBondContact O-N 3.13Å; I175-A177 HydrophobicContact CD1-CB 4.04Å; I175-A177 HydrophobicContact CG1-CB 3.84Å
178	V	97.4	Very high	95.3	Very high	83 Å²	83	38.5 Å²	38.5	50%	0.503	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117	178	-178.2	0	0	0	0	108.2	D153 R154 V155	D153-V178 PolarHBondContact O-N 2.92Å; R154-V178 CarbonylContact C-O 3.55Å; R154-V178 VanDerWaalsContact CA-O 3.28Å; R154-V178 WeakPolarHBondContact CA-O 3.48Å; R154-V178 HydrophobicContact CG-CB 4.36Å; V155-V178 PolarHBondContact N-O 2.86Å
179	H	96.5	Very high	95.1	Very high	71 Å²	71	42.6 Å²	42.6	33%	0.329	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	134.4	176.6	61.7	67	0	0	0	111.6	V155 I157 M169 C172	V155-H179 CarbonylContact O-C 3.58Å; V155-H179 WeakPolarHBondContact O-CA 3.41Å; I157-H179 HydrophobicContact CD1-CB 3.65Å; I157-H179 HydrophobicContact CG1-CB 4.41Å; M169-H179 PolarHBondContact O-CD2 3.05Å; C172-H179 HydrophobicContact CB-CB 3.88Å
180	A	96.2	Very high	95	Very high	23 Å²	23	41.3 Å²	41.3	19%	0.19	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	94.1	171.6	0	0	0	0	0	109.1	V155 T156 I157 T198	V155-A180 PolarHBondContact O-N 2.72Å; T156-A180 WeakPolarHBondContact CA-O 3.3Å; I157-A180 PolarHBondContact N-O 3.02Å; A180-T198 HydrophobicContact CB-CG2 4.08Å
181	V	96.7	Very high	94.9	Very high	60 Å²	60	40.2 Å²	40.2	36%	0.364	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.7	179.8	-179	0	0	0	0	109.5	I157 L165 M169	I157-V181 HydrophobicContact CB-CG2 4.3Å; I157-V181 HydrophobicContact CD1-CG2 4.09Å; L165-V181 HydrophobicContact CD1-CG1 4.27Å; M169-V181 HydrophobicContact CE-CG2 4.38Å; M169-V181 HydrophobicContact CG-CG2 3.91Å; M169-V181 HydrophobicContact SD-CG2 4.01Å
182	V	95.2	Very high	94.8	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	24%	0.235	C	C	.	.			trans	-116.4	125.7	175.5	-174.6	0	0	0	0	107.9	T156 I157 Y158 G184 Y186 L191 R194	T156-V182 HydrophobicContact CG2-CG2 3.8Å; I157-V182 PolarHBondContact O-N 3.44Å; Y158-V182 HydrophobicContact CD2-CB 3.98Å; Y158-V182 HydrophobicContact CD2-CG1 3.92Å; Y158-V182 HydrophobicContact CE2-CG1 4.24Å; V182-G184 PolarHBondContact O-N 3.13Å; V182-Y186 HydrophobicContact CG1-CD2 4.13Å; V182-Y186 HydrophobicContact CG1-CG 4.49Å; V182-L191 HydrophobicContact CB-CD1 4.13Å; V182-L191 HydrophobicContact CG1-CD1 4.06Å; V182-L191 HydrophobicContact CG2-CD1 4.12Å; V182-R194 HydrophobicContact CG2-CB 4.29Å
183	F	90.3	Very high	94.7	Very high	115 Å²	115	46 Å²	46	50%	0.504	26%	0.26	S	S	.	.			trans	-59.3	127.6	-179.6	175.5	-118.5	0	0	0	110.8	Y158 G185 Y186	Y158-F183 VanDerWaalsContact CE2-O 3.31Å; Y158-F183 WeakPolarHBondContact CE2-O 3.47Å; F183-G185 PolarHBondContact O-N 3.35Å; F183-Y186 HydrophobicContact CB-CD1 4.24Å; F183-Y186 HydrophobicContact CB-CE1 4.31Å; F183-Y186 AromaticContact CD1-CD1 3.81Å; F183-Y186 HydrophobicContact CD1-CD1 3.81Å; F183-Y186 AromaticContact CD1-CE1 3.96Å; F183-Y186 HydrophobicContact CD1-CE1 3.96Å; F183-Y186 WeakPolarHBondContact O-CB 3.14Å; F183-Y186 PolarHBondContact O-N 3.2Å
184	G	82.6	Confident	94.6	Very high	9 Å²	9	49.3 Å²	49.3	9%	0.093	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-6.2	-177.2	0	0	0	0	0	116	Y158 V182 L218	Y158-G184 PolarHBondContact OH-O 2.93Å; Y158-G184 VanDerWaalsContact OH-O 3.13Å; V182-G184 PolarHBondContact O-N 3.13Å; G184-L218 WeakPolarHBondContact O-CD2 3.49Å
185	G	83.9	Confident	94.6	Very high	44 Å²	44	46.9 Å²	46.9	45%	0.454	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-2.4	173.5	0	0	0	0	0	115.2	F183	F183-G185 PolarHBondContact O-N 3.35Å
186	Y	90	Very high	94.5	Very high	103 Å²	103	48 Å²	48	40%	0.404	27%	0.266	S	S	.	.	S	Bend	trans	-79.2	153.1	-177.8	-82.2	20.6	0	0	0	112.6	Y158 V182 F183 A190 R194	Y158-Y186 PolarHBondContact OH-O 2.96Å; V182-Y186 HydrophobicContact CG1-CD2 4.13Å; V182-Y186 HydrophobicContact CG1-CG 4.49Å; F183-Y186 HydrophobicContact CB-CD1 4.24Å; F183-Y186 HydrophobicContact CB-CE1 4.31Å; F183-Y186 AromaticContact CD1-CD1 3.81Å; F183-Y186 HydrophobicContact CD1-CD1 3.81Å; F183-Y186 AromaticContact CD1-CE1 3.96Å; F183-Y186 HydrophobicContact CD1-CE1 3.96Å; F183-Y186 WeakPolarHBondContact O-CB 3.14Å; F183-Y186 PolarHBondContact O-N 3.2Å; Y186-A190 HydrophobicContact CD2-CB 3.98Å; Y186-A190 HydrophobicContact CG-CB 4.42Å; Y186-R194 VanDerWaalsContact CE2-NH2 3.33Å
187	S	93.8	Very high	94.3	Very high	59 Å²	59	51 Å²	51	41%	0.413	28%	0.282	S	S	.	.			trans	-71.9	169.1	178.8	82.8	0	0	0	0	112.4	E189 A190 L191	S187-E189 VanDerWaalsContact C-N 3.29Å; S187-E189 WeakPolarHBondContact CB-OE2 3.5Å; S187-E189 PolarHBondContact O-N 2.81Å; S187-E189 PolarHBondContact OG-N 2.89Å; S187-E189 PolarHBondContact OG-OE2 3.04Å; S187-A190 PolarHBondContact O-N 2.89Å; S187-A190 PolarHBondContact OG-N 3.49Å; S187-L191 WeakPolarHBondContact O-CB 3.37Å; S187-L191 PolarHBondContact O-N 3.38Å
188	A	96.2	Very high	94.2	Very high	6 Å²	6	52.7 Å²	52.7	5%	0.05	29%	0.291	C	S	.	.	H	α-helix	trans	-63.1	-36.9	178	0	0	0	0	0	112.2	L191 S192 I221 K224 A225 L228	A188-L191 PolarHBondContact O-N 2.96Å; A188-S192 WeakPolarHBondContact O-CB 3.32Å; A188-S192 PolarHBondContact O-N 3.01Å; A188-S192 PolarHBondContact O-OG 3.4Å; A188-I221 HydrophobicContact CB-CG2 4.02Å; A188-K224 HydrophobicContact CB-CB 3.81Å; A188-K224 HydrophobicContact CB-CD 3.68Å; A188-K224 HydrophobicContact CB-CG 3.78Å; A188-A225 HydrophobicContact CB-CB 4.24Å; A188-A225 VanDerWaalsContact O-CB 3.26Å; A188-A225 WeakPolarHBondContact O-CB 3.43Å; A188-L228 HydrophobicContact CB-CD1 4.29Å
189	E	95.9	Very high	94.1	Very high	88 Å²	88	55.6 Å²	55.6	41%	0.411	30%	0.299	S	S	.	.	H	α-helix	trans	-67.8	-41.4	178.9	-56.7	72.6	-158	0	0	111.1	S187 L191 S192 H193 K224 L228	S187-E189 VanDerWaalsContact C-N 3.29Å; S187-E189 WeakPolarHBondContact CB-OE2 3.5Å; S187-E189 PolarHBondContact O-N 2.81Å; S187-E189 PolarHBondContact OG-N 2.89Å; S187-E189 PolarHBondContact OG-OE2 3.04Å; E189-L191 VanDerWaalsContact C-N 3.34Å; E189-S192 PolarHBondContact O-N 3.29Å; E189-S192 PolarHBondContact O-OG 3.28Å; E189-H193 WeakPolarHBondContact O-CB 3.35Å; E189-H193 PolarHBondContact O-N 3.23Å; E189-H193 VanDerWaalsContact O-N 3.09Å; E189-K224 IonicContact OE1-NZ 3.94Å; E189-K224 PolarHBondContact OE1-NZ 3.37Å; E189-L228 HydrophobicContact CB-CD1 4.43Å; E189-L228 HydrophobicContact CG-CD1 3.9Å
190	A	95.3	Very high	94	Very high	34 Å²	34	53.2 Å²	53.2	28%	0.281	29%	0.291	S	S	.	.	H	α-helix	trans	-67.5	-36.7	175.2	0	0	0	0	0	111.9	Y186 S187 R194	Y186-A190 HydrophobicContact CD2-CB 3.98Å; Y186-A190 HydrophobicContact CG-CB 4.42Å; S187-A190 PolarHBondContact O-N 2.89Å; S187-A190 PolarHBondContact OG-N 3.49Å; A190-R194 WeakPolarHBondContact O-CG 3.31Å; A190-R194 PolarHBondContact O-N 3.3Å
191	L	96.8	Very high	94	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-68.4	-45.5	175.3	178	58.6	0	0	0	111.4	T156 Y158 V182 S187 A188 E189 H193 R194 I195 L203 A225	T156-L191 HydrophobicContact CG2-CD1 3.97Å; Y158-L191 HydrophobicContact CD1-CD2 3.89Å; Y158-L191 HydrophobicContact CD2-CD1 4.02Å; Y158-L191 HydrophobicContact CD2-CD2 4.11Å; Y158-L191 HydrophobicContact CE1-CD2 4.12Å; Y158-L191 HydrophobicContact CE2-CD2 4.3Å; Y158-L191 HydrophobicContact CG-CD1 4.18Å; Y158-L191 HydrophobicContact CG-CD2 3.88Å; V182-L191 HydrophobicContact CB-CD1 4.13Å; V182-L191 HydrophobicContact CG1-CD1 4.06Å; V182-L191 HydrophobicContact CG2-CD1 4.12Å; S187-L191 WeakPolarHBondContact O-CB 3.37Å; S187-L191 PolarHBondContact O-N 3.38Å; A188-L191 PolarHBondContact O-N 2.96Å; E189-L191 VanDerWaalsContact C-N 3.34Å; L191-H193 PolarHBondContact O-N 3.1Å; L191-R194 PolarHBondContact O-N 2.82Å; L191-I195 HydrophobicContact CD1-CD1 3.97Å; L191-I195 HydrophobicContact CD1-CG1 4.25Å; L191-I195 HydrophobicContact CG-CD1 3.82Å; L191-I195 VanDerWaalsContact O-CG1 3.32Å; L191-I195 WeakPolarHBondContact O-CG1 3.38Å; L191-I195 PolarHBondContact O-N 2.82Å; L191-L203 HydrophobicContact CD1-CD1 4.28Å; L191-A225 HydrophobicContact CB-CB 3.95Å; L191-A225 HydrophobicContact CD2-CB 3.76Å; L191-A225 HydrophobicContact CG-CB 3.81Å
192	S	97	Very high	94	Very high	5 Å²	5	55.8 Å²	55.8	4%	0.035	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-47.2	-179.5	67.2	0	0	0	0	111.4	A188 E189 R194 I195 M196 A225 C229	A188-S192 WeakPolarHBondContact O-CB 3.32Å; A188-S192 PolarHBondContact O-N 3.01Å; A188-S192 PolarHBondContact O-OG 3.4Å; E189-S192 PolarHBondContact O-N 3.29Å; E189-S192 PolarHBondContact O-OG 3.28Å; S192-R194 VanDerWaalsContact C-N 3.27Å; S192-R194 PolarHBondContact O-N 2.81Å; S192-I195 PolarHBondContact O-N 2.74Å; S192-I195 VanDerWaalsContact O-N 3.1Å; S192-M196 WeakPolarHBondContact O-CG 3.43Å; S192-M196 PolarHBondContact O-N 3.35Å; S192-A225 WeakPolarHBondContact CB-O 3.44Å; S192-C229 VanDerWaalsContact CA-SG 3.59Å; S192-C229 VanDerWaalsContact CB-SG 3.55Å
193	H	95.9	Very high	94.1	Very high	116 Å²	116	57.4 Å²	57.4	54%	0.537	30%	0.302	S	S	.	.	H	α-helix	trans	-57.1	-42.2	178.5	-172.1	-96.9	0	0	0	111.7	E189 L191 M196 C197	E189-H193 WeakPolarHBondContact O-CB 3.35Å; E189-H193 PolarHBondContact O-N 3.23Å; E189-H193 VanDerWaalsContact O-N 3.09Å; L191-H193 PolarHBondContact O-N 3.1Å; H193-M196 PolarHBondContact O-N 3.47Å; H193-C197 PolarHBondContact CE1-SG 2.8Å; H193-C197 WeakPolarHBondContact O-CB 3.43Å; H193-C197 PolarHBondContact O-N 2.88Å; H193-C197 PolarHBondContact O-SG 3.36Å
194	R	96.5	Very high	94.5	Very high	91 Å²	91	52.9 Å²	52.9	34%	0.343	28%	0.283	S	S	.	.	H	α-helix	trans	-67.8	-39.1	176.9	-71.4	175.5	172.6	-145.2	-4.8	112.8	V182 Y186 A190 L191 S192 M196 T198	V182-R194 HydrophobicContact CG2-CB 4.29Å; Y186-R194 VanDerWaalsContact CE2-NH2 3.33Å; A190-R194 WeakPolarHBondContact O-CG 3.31Å; A190-R194 PolarHBondContact O-N 3.3Å; L191-R194 PolarHBondContact O-N 2.82Å; S192-R194 VanDerWaalsContact C-N 3.27Å; S192-R194 PolarHBondContact O-N 2.81Å; R194-M196 VanDerWaalsContact C-N 3.3Å; R194-M196 PolarHBondContact O-N 3.28Å; R194-T198 WeakPolarHBondContact O-CB 3.44Å; R194-T198 VanDerWaalsContact O-CG2 3.3Å; R194-T198 WeakPolarHBondContact O-CG2 3.35Å; R194-T198 PolarHBondContact O-N 3.5Å; R194-T198 PolarHBondContact O-OG1 2.82Å
195	I	96.6	Very high	95.2	Very high	17 Å²	17	54.7 Å²	54.7	9%	0.087	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-43.2	175.7	-68.2	161.7	0	0	0	110.1	T156 L191 S192 T198 E199 S200 L203 L226	T156-I195 HydrophobicContact CG2-CG1 4.08Å; L191-I195 HydrophobicContact CD1-CD1 3.97Å; L191-I195 HydrophobicContact CD1-CG1 4.25Å; L191-I195 HydrophobicContact CG-CD1 3.82Å; L191-I195 VanDerWaalsContact O-CG1 3.32Å; L191-I195 WeakPolarHBondContact O-CG1 3.38Å; L191-I195 PolarHBondContact O-N 2.82Å; S192-I195 PolarHBondContact O-N 2.74Å; S192-I195 VanDerWaalsContact O-N 3.1Å; I195-T198 PolarHBondContact O-OG1 3.07Å; I195-E199 WeakPolarHBondContact O-CA 3.32Å; I195-E199 PolarHBondContact O-N 3.45Å; I195-S200 PolarHBondContact O-N 2.76Å; I195-S200 VanDerWaalsContact O-N 3.13Å; I195-L203 HydrophobicContact CD1-CD1 4.35Å; I195-L203 HydrophobicContact CD1-CD2 3.75Å; I195-L226 HydrophobicContact CD1-CD2 4.41Å
196	M	95.7	Very high	95.8	Very high	50 Å²	50	53.6 Å²	53.6	25%	0.246	28%	0.279	C	S	.	.	H	α-helix	trans	-68.9	-50.8	179.2	-67	-178.6	-63.8	0	0	111.8	S192 H193 R194 T198 E199 C229 Q232	S192-M196 WeakPolarHBondContact O-CG 3.43Å; S192-M196 PolarHBondContact O-N 3.35Å; H193-M196 PolarHBondContact O-N 3.47Å; R194-M196 VanDerWaalsContact C-N 3.3Å; R194-M196 PolarHBondContact O-N 3.28Å; M196-T198 PolarHBondContact O-N 3.29Å; M196-E199 PolarHBondContact O-N 3.15Å; M196-C229 HydrophobicContact CG-CB 4.31Å; M196-C229 HydrophobicContact SD-CB 4.39Å; M196-Q232 HydrophobicContact SD-CB 4.09Å; M196-Q232 HydrophobicContact SD-CG 4.43Å; M196-Q232 PolarHBondContact SD-OE1 3.26Å
197	C	94.7	Very high	96.1	Very high	89 Å²	89	55 Å²	55	60%	0.601	29%	0.293	S	S	*	.	H	α-helix	trans	-62.1	-28.6	179.2	-66.5	0	0	0	0	113.6	H193	H193-C197 PolarHBondContact CE1-SG 2.8Å; H193-C197 WeakPolarHBondContact O-CB 3.43Å; H193-C197 PolarHBondContact O-N 2.88Å; H193-C197 PolarHBondContact O-SG 3.36Å
198	T	94.3	Very high	96	Very high	42 Å²	42	53.8 Å²	53.8	26%	0.258	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-5.9	177.1	59.2	0	0	0	0	113.2	R154 A180 R194 I195 M196 S200	R154-T198 WeakPolarHBondContact CB-O 3.39Å; R154-T198 WeakPolarHBondContact CD-O 3.36Å; R154-T198 WeakPolarHBondContact CG-O 3.36Å; R154-T198 PolarHBondContact NE-O 3.09Å; A180-T198 HydrophobicContact CB-CG2 4.08Å; R194-T198 WeakPolarHBondContact O-CB 3.44Å; R194-T198 VanDerWaalsContact O-CG2 3.3Å; R194-T198 WeakPolarHBondContact O-CG2 3.35Å; R194-T198 PolarHBondContact O-N 3.5Å; R194-T198 PolarHBondContact O-OG1 2.82Å; I195-T198 PolarHBondContact O-OG1 3.07Å; M196-T198 PolarHBondContact O-N 3.29Å; T198-S200 PolarHBondContact O-N 3.5Å; T198-S200 PolarHBondContact OG1-OG 3Å
199	E	95.3	Very high	95.9	Very high	144 Å²	144	54.8 Å²	54.8	67%	0.673	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.2	48.5	-172.5	-60.6	179.1	179.3	0	0	111.3	R154 I195 M196 K201	R154-E199 PolarHBondContact NE-O 3.13Å; R154-E199 PolarHBondContact NH2-O 2.91Å; I195-E199 WeakPolarHBondContact O-CA 3.32Å; I195-E199 PolarHBondContact O-N 3.45Å; M196-E199 PolarHBondContact O-N 3.15Å; E199-K201 PolarHBondContact O-N 3.36Å
200	S	95.7	Very high	95.5	Very high	21 Å²	21	58.3 Å²	58.3	15%	0.147	31%	0.308	C	S	.	.			trans	-69.3	131.8	-171	-80.2	0	0	0	0	112.1	R154 T156 I195 T198	R154-S200 WeakPolarHBondContact CB-OG 3.12Å; T156-S200 WeakPolarHBondContact OG1-CB 3.41Å; T156-S200 PolarHBondContact OG1-OG 3.37Å; I195-S200 PolarHBondContact O-N 2.76Å; I195-S200 VanDerWaalsContact O-N 3.13Å; T198-S200 PolarHBondContact O-N 3.5Å; T198-S200 PolarHBondContact OG1-OG 3Å
201	K	96	Very high	95	Very high	98 Å²	98	64.8 Å²	64.8	43%	0.426	33%	0.325	S	S	.	.	S	Bend	trans	-77.7	-33.7	-177.2	-172.8	172.6	-176.3	168	0	112.4	G148 D153 R154 E199	G148-K201 WeakPolarHBondContact O-CE 3.5Å; G148-K201 PolarHBondContact O-NZ 2.97Å; D153-K201 HydrophobicContact CB-CD 4.13Å; D153-K201 IonicContact OD1-NZ 2.76Å; D153-K201 WeakPolarHBondContact OD2-CD 3.2Å; D153-K201 IonicContact OD2-NZ 2.72Å; D153-K201 PolarHBondContact OD2-NZ 3.48Å; R154-K201 PolarHBondContact O-N 3.37Å; E199-K201 PolarHBondContact O-N 3.36Å
202	I	97	Very high	94.6	Very high	38 Å²	38	67.9 Å²	67.9	20%	0.195	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	140.8	178.9	-60.4	-170.2	0	0	0	108.6	K147 V149 V155 T156 I204	K147-I202 HydrophobicContact CB-CD1 3.41Å; K147-I202 VanDerWaalsContact CB-CD1 3.41Å; K147-I202 HydrophobicContact CG-CD1 4.29Å; V149-I202 HydrophobicContact CG2-CD1 3.29Å; V149-I202 HydrophobicContact CG2-CG1 3.93Å; V155-I202 WeakPolarHBondContact CA-O 3.44Å; T156-I202 PolarHBondContact N-O 2.92Å; I202-I204 HydrophobicContact CG2-CG1 4.08Å
203	L	97.4	Very high	94.1	Very high	36 Å²	36	74.1 Å²	74.1	19%	0.188	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.2	166.6	172.9	64.5	0	0	0	109	T156 L191 I195 T222 L226	T156-L203 HydrophobicContact CG2-CD1 3.42Å; T156-L203 VanDerWaalsContact CG2-CD1 3.42Å; T156-L203 WeakPolarHBondContact O-CA 3.38Å; L191-L203 HydrophobicContact CD1-CD1 4.28Å; I195-L203 HydrophobicContact CD1-CD1 4.35Å; I195-L203 HydrophobicContact CD1-CD2 3.75Å; L203-T222 HydrophobicContact CD2-CG2 3.25Å; L203-T222 HydrophobicContact CG-CG2 4.12Å; L203-L226 HydrophobicContact CD2-CD1 4.4Å; L203-L226 HydrophobicContact CD2-CD2 4.04Å; L203-L226 HydrophobicContact CD2-CG 4.19Å
204	I	98	Very high	93.8	Very high	21 Å²	21	75.9 Å²	75.9	11%	0.108	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.7	177.1	-59	166.3	0	0	0	107.8	F140 L144 V155 T156 Y158 L159 V168 I202	F140-I204 HydrophobicContact CE1-CD1 3.7Å; F140-I204 HydrophobicContact CZ-CD1 3.89Å; F140-I204 HydrophobicContact CZ-CG1 4.5Å; F140-I204 HydrophobicContact CZ-CG2 4.24Å; L144-I204 HydrophobicContact CD2-CD1 3.97Å; V155-I204 HydrophobicContact CG1-CD1 3.49Å; V155-I204 VanDerWaalsContact CG1-CD1 3.49Å; V155-I204 HydrophobicContact CG1-CG1 4.11Å; T156-I204 PolarHBondContact O-N 2.9Å; Y158-I204 PolarHBondContact N-O 3.03Å; L159-I204 HydrophobicContact CD1-CG2 4.08Å; L159-I204 HydrophobicContact CD2-CG2 4.42Å; L159-I204 HydrophobicContact CG-CG2 4.35Å; V168-I204 HydrophobicContact CG1-CD1 3.34Å; V168-I204 HydrophobicContact CG1-CG2 4.41Å; V168-I204 HydrophobicContact CG2-CG2 4.35Å; I202-I204 HydrophobicContact CG2-CG1 4.08Å
205	T	97.7	Very high	93.6	Very high	47 Å²	47	74.2 Å²	74.2	29%	0.288	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	169	-176.8	-164.9	0	0	0	0	110.8	Y158 L159 T222	Y158-T205 WeakPolarHBondContact O-CA 3.5Å; Y158-T205 PolarHBondContact O-OG1 2.9Å; L159-T205 VanDerWaalsContact CD2-C 3.42Å; T205-T222 WeakPolarHBondContact CB-OG1 3.31Å; T205-T222 HydrophobicContact CG2-CG2 3.78Å; T205-T222 PolarHBondContact OG1-OG1 2.86Å
206	A	96.2	Very high	93.3	Very high	20 Å²	20	75.1 Å²	75.1	17%	0.165	41%	0.405	C	S	.	.			trans	-111.8	164.3	171.6	0	0	0	0	0	109.8	L159 P160 G208 L218 K219	L159-A206 HydrophobicContact CD2-CB 3.84Å; P160-A206 HydrophobicContact CG-CB 4.31Å; A206-G208 VanDerWaalsContact C-N 3.31Å; A206-G208 PolarHBondContact O-N 3.03Å; A206-L218 HydrophobicContact CB-CD1 4.28Å; A206-L218 WeakPolarHBondContact O-CB 3.49Å; A206-K219 PolarHBondContact O-N 2.98Å; A206-K219 VanDerWaalsContact O-N 3.15Å
207	D	95.6	Very high	93.3	Very high	132 Å²	132	81.9 Å²	81.9	71%	0.706	43%	0.428	S	S	*	.	S	Bend	trans	-62	-43	176.9	-66.2	-39.6	0	0	0	111.6	L218 K219	D207-L218 PolarHBondContact O-N 2.76Å; D207-K219 PolarHBondContact O-N 2.97Å; D207-K219 VanDerWaalsContact O-N 3.17Å
208	G	93.3	Very high	93.4	Very high	35 Å²	35	77.7 Å²	77.7	36%	0.361	40%	0.399	S	S	.	.			trans	-175.7	-176.8	175.5	0	0	0	0	0	113	A206 I216	A206-G208 VanDerWaalsContact C-N 3.31Å; A206-G208 PolarHBondContact O-N 3.03Å; G208-I216 CarbonylContact C-O 3.46Å; G208-I216 WeakPolarHBondContact CA-O 3.48Å
209	S	92.3	Very high	93.5	Very high	27 Å²	27	80 Å²	80	19%	0.189	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	161.5	175.3	66.3	0	0	0	0	111	P160 I216	P160-S209 VanDerWaalsContact CB-CB 3.47Å; S209-I216 PolarHBondContact N-O 3.34Å; S209-I216 PolarHBondContact O-N 3.29Å
210	Y	89	Confident	93.6	Very high	161 Å²	161	79 Å²	79	63%	0.631	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	141.6	169.3	-71.8	-89.6	0	0	0	110.3	A215	Y210-A215 HydrophobicContact CD1-CB 4.26Å; Y210-A215 HydrophobicContact CE1-CB 3.9Å
211	R	85.1	Confident	93.6	Very high	171 Å²	171	79.8 Å²	79.8	65%	0.645	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.2	103.9	164.8	-174.5	177	-176.5	-179.5	0.5	107.2	T213 K214 I216	R211-T213 PolarHBondContact O-N 3.49Å; R211-K214 PolarHBondContact N-O 3.06Å; R211-K214 PolarHBondContact O-N 3.22Å; R211-I216 HydrophobicContact CB-CD1 4.07Å
212	A	86.6	Confident	93.7	Very high	64 Å²	64	75.4 Å²	75.4	53%	0.529	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	-123.6	-160.4	0	0	0	0	0	109.1	N120	N120-A212 PolarHBondContact ND2-O 3.15Å; N120-A212 WeakPolarHBondContact OD1-CA 3.25Å; N120-A212 PolarHBondContact OD1-N 3.32Å
213	T	87.2	Confident	93.7	Very high	136 Å²	136	76.7 Å²	76.7	83%	0.834	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-11.2	179.5	56.4	0	0	0	0	113.8	R211	R211-T213 PolarHBondContact O-N 3.49Å
214	K	90.3	Very high	93.7	Very high	154 Å²	154	79.1 Å²	79.1	67%	0.67	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	118.1	-174.1	-174.1	175.8	-179.8	176.2	0	111.2	R211	R211-K214 PolarHBondContact N-O 3.06Å; R211-K214 PolarHBondContact O-N 3.22Å
215	A	91.3	Very high	93.7	Very high	55 Å²	55	78.1 Å²	78.1	46%	0.455	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	130.4	171.3	0	0	0	0	0	111.3	Y210	Y210-A215 HydrophobicContact CD1-CB 4.26Å; Y210-A215 HydrophobicContact CE1-CB 3.9Å
216	I	91.7	Very high	93.7	Very high	37 Å²	37	78.9 Å²	78.9	19%	0.19	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	117.4	175.2	-56.6	175.8	0	0	0	107.7	G208 S209 R211 L218 I221	G208-I216 CarbonylContact C-O 3.46Å; G208-I216 WeakPolarHBondContact CA-O 3.48Å; S209-I216 PolarHBondContact N-O 3.34Å; S209-I216 PolarHBondContact O-N 3.29Å; R211-I216 HydrophobicContact CB-CD1 4.07Å; I216-L218 HydrophobicContact CG2-CD2 3.78Å; I216-L218 HydrophobicContact CG2-CG 4.25Å; I216-L218 PolarHBondContact O-N 2.92Å; I216-I221 HydrophobicContact CG2-CD1 4.1Å
217	R	94.8	Very high	93.7	Very high	192 Å²	192	82.9 Å²	82.9	73%	0.725	41%	0.414	S	S	*	.			trans	-88.6	76.6	-178.2	-62.7	-177.5	-177.9	175.5	0.1	110.8	K219 H220 I221	R217-K219 VanDerWaalsContact C-N 3.29Å; R217-K219 PolarHBondContact O-N 3.35Å; R217-H220 HydrophobicContact CB-CB 4.04Å; R217-H220 WeakPolarHBondContact O-CB 3.44Å; R217-H220 PolarHBondContact O-N 3.29Å; R217-H220 VanDerWaalsContact O-N 3.09Å; R217-I221 PolarHBondContact O-N 3.44Å
218	L	96	Very high	93.7	Very high	0 Å²	0	78.4 Å²	78.4	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-57.2	-39.2	-174.7	-64.3	173.2	0	0	0	112.9	Y158 P160 G184 A206 D207 I216 H220 I221 T222	Y158-L218 HydrophobicContact CD1-CB 4.39Å; Y158-L218 HydrophobicContact CD1-CD2 4.24Å; Y158-L218 HydrophobicContact CE1-CB 4.05Å; Y158-L218 HydrophobicContact CE1-CD2 3.49Å; Y158-L218 VanDerWaalsContact CE1-CD2 3.49Å; Y158-L218 HydrophobicContact CE1-CG 4.36Å; P160-L218 HydrophobicContact CB-CD1 4.13Å; P160-L218 HydrophobicContact CG-CD1 3.93Å; G184-L218 WeakPolarHBondContact O-CD2 3.49Å; A206-L218 HydrophobicContact CB-CD1 4.28Å; A206-L218 WeakPolarHBondContact O-CB 3.49Å; D207-L218 PolarHBondContact O-N 2.76Å; I216-L218 HydrophobicContact CG2-CD2 3.78Å; I216-L218 HydrophobicContact CG2-CG 4.25Å; I216-L218 PolarHBondContact O-N 2.92Å; L218-H220 PolarHBondContact O-N 2.99Å; L218-I221 PolarHBondContact O-N 3.09Å; L218-T222 WeakPolarHBondContact O-CB 3.44Å; L218-T222 PolarHBondContact O-N 3.48Å; L218-T222 PolarHBondContact O-OG1 3.41Å
219	K	97	Very high	93.8	Very high	90 Å²	90	78 Å²	78	39%	0.391	38%	0.382	S	S	.	.	H	α-helix	trans	-61.8	-41.2	176	172.3	164	172.1	36.6	0	112.5	A206 D207 R217 I221 T222 D223	A206-K219 PolarHBondContact O-N 2.98Å; A206-K219 VanDerWaalsContact O-N 3.15Å; D207-K219 PolarHBondContact O-N 2.97Å; D207-K219 VanDerWaalsContact O-N 3.17Å; R217-K219 VanDerWaalsContact C-N 3.29Å; R217-K219 PolarHBondContact O-N 3.35Å; K219-I221 VanDerWaalsContact C-N 3.35Å; K219-I221 PolarHBondContact O-N 3.4Å; K219-T222 WeakPolarHBondContact O-CB 3.42Å; K219-T222 PolarHBondContact O-N 3.29Å; K219-D223 VanDerWaalsContact NZ-CG 3.28Å; K219-D223 IonicContact NZ-OD1 2.73Å; K219-D223 PolarHBondContact NZ-OD1 3.15Å; K219-D223 IonicContact NZ-OD2 2.97Å; K219-D223 PolarHBondContact NZ-OD2 3.47Å; K219-D223 VanDerWaalsContact O-CG 3.25Å; K219-D223 PolarHBondContact O-N 2.94Å
220	H	96.9	Very high	93.8	Very high	125 Å²	125	86.4 Å²	86.4	58%	0.579	41%	0.409	S	S	*	.	H	α-helix	trans	-64.6	-41.5	178.2	-178.9	65.5	0	0	0	111.8	R217 L218 T222 D223 K224	R217-H220 HydrophobicContact CB-CB 4.04Å; R217-H220 WeakPolarHBondContact O-CB 3.44Å; R217-H220 PolarHBondContact O-N 3.29Å; R217-H220 VanDerWaalsContact O-N 3.09Å; L218-H220 PolarHBondContact O-N 2.99Å; H220-T222 VanDerWaalsContact C-N 3.29Å; H220-T222 PolarHBondContact O-N 2.83Å; H220-D223 PolarHBondContact O-N 3.42Å; H220-K224 PolarHBondContact O-N 2.88Å
221	I	96.7	Very high	93.9	Very high	37 Å²	37	86.1 Å²	86.1	19%	0.19	41%	0.413	C	S	.	.	H	α-helix	trans	-62.7	-41.4	175	-60.4	169.1	0	0	0	110.3	Y158 A188 I216 R217 L218 K219 K224 A225	Y158-I221 HydrophobicContact CE1-CB 4.35Å; Y158-I221 HydrophobicContact CE1-CG2 4.25Å; Y158-I221 WeakPolarHBondContact OH-CG2 3.34Å; A188-I221 HydrophobicContact CB-CG2 4.02Å; I216-I221 HydrophobicContact CG2-CD1 4.1Å; R217-I221 PolarHBondContact O-N 3.44Å; L218-I221 PolarHBondContact O-N 3.09Å; K219-I221 VanDerWaalsContact C-N 3.35Å; K219-I221 PolarHBondContact O-N 3.4Å; I221-K224 PolarHBondContact O-N 2.88Å; I221-A225 WeakPolarHBondContact O-CB 3.41Å; I221-A225 PolarHBondContact O-N 3.45Å
222	T	97.3	Very high	93.5	Very high	5 Å²	5	86.7 Å²	86.7	3%	0.031	42%	0.424	C	S	.	.	H	α-helix	trans	-62.1	-49.1	177	-61.7	0	0	0	0	111.6	L203 T205 L218 K219 H220 K224 A225 L226	L203-T222 HydrophobicContact CD2-CG2 3.25Å; L203-T222 HydrophobicContact CG-CG2 4.12Å; T205-T222 WeakPolarHBondContact CB-OG1 3.31Å; T205-T222 HydrophobicContact CG2-CG2 3.78Å; T205-T222 PolarHBondContact OG1-OG1 2.86Å; L218-T222 WeakPolarHBondContact O-CB 3.44Å; L218-T222 PolarHBondContact O-N 3.48Å; L218-T222 PolarHBondContact O-OG1 3.41Å; K219-T222 WeakPolarHBondContact O-CB 3.42Å; K219-T222 PolarHBondContact O-N 3.29Å; H220-T222 VanDerWaalsContact C-N 3.29Å; H220-T222 PolarHBondContact O-N 2.83Å; T222-K224 VanDerWaalsContact C-N 3.31Å; T222-K224 PolarHBondContact O-N 2.95Å; T222-A225 WeakPolarHBondContact O-CB 3.47Å; T222-A225 PolarHBondContact O-N 3.21Å; T222-A225 VanDerWaalsContact O-N 3.15Å; T222-L226 HydrophobicContact CG2-CD1 4.21Å; T222-L226 WeakPolarHBondContact O-CG 3.02Å; T222-L226 PolarHBondContact O-N 3.17Å
223	D	97.8	Very high	93.9	Very high	66 Å²	66	87.9 Å²	87.9	35%	0.353	42%	0.418	S	S	.	.	H	α-helix	trans	-60.8	-42.6	178.8	-66.4	-24.9	0	0	0	110.5	K219 H220 L226 M227	K219-D223 VanDerWaalsContact NZ-CG 3.28Å; K219-D223 IonicContact NZ-OD1 2.73Å; K219-D223 PolarHBondContact NZ-OD1 3.15Å; K219-D223 IonicContact NZ-OD2 2.97Å; K219-D223 PolarHBondContact NZ-OD2 3.47Å; K219-D223 VanDerWaalsContact O-CG 3.25Å; K219-D223 PolarHBondContact O-N 2.94Å; H220-D223 PolarHBondContact O-N 3.42Å; D223-L226 PolarHBondContact O-N 3.02Å; D223-M227 WeakPolarHBondContact O-CG 3.4Å; D223-M227 PolarHBondContact O-N 3.42Å
224	K	97.5	Very high	94.2	Very high	86 Å²	86	85.3 Å²	85.3	37%	0.374	40%	0.396	S	S	.	.	H	α-helix	trans	-61.1	-44.4	173.5	-170.2	-175.6	-179.4	-153.7	0	112.2	A188 E189 H220 I221 T222 L226 M227 L228	A188-K224 HydrophobicContact CB-CB 3.81Å; A188-K224 HydrophobicContact CB-CD 3.68Å; A188-K224 HydrophobicContact CB-CG 3.78Å; E189-K224 IonicContact OE1-NZ 3.94Å; E189-K224 PolarHBondContact OE1-NZ 3.37Å; H220-K224 PolarHBondContact O-N 2.88Å; I221-K224 PolarHBondContact O-N 2.88Å; T222-K224 VanDerWaalsContact C-N 3.31Å; T222-K224 PolarHBondContact O-N 2.95Å; K224-L226 VanDerWaalsContact C-N 3.32Å; K224-L226 PolarHBondContact O-N 3.3Å; K224-M227 HydrophobicContact CB-CE 4.3Å; K224-M227 HydrophobicContact CG-CE 4.44Å; K224-M227 PolarHBondContact O-N 3.31Å; K224-L228 WeakPolarHBondContact O-CG 3.26Å; K224-L228 PolarHBondContact O-N 3.23Å
225	A	97.4	Very high	94.4	Very high	0 Å²	0	81.5 Å²	81.5	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-61.4	-41.7	178	0	0	0	0	0	111.8	A188 L191 S192 I221 T222 M227 L228 C229	A188-A225 HydrophobicContact CB-CB 4.24Å; A188-A225 VanDerWaalsContact O-CB 3.26Å; A188-A225 WeakPolarHBondContact O-CB 3.43Å; L191-A225 HydrophobicContact CB-CB 3.95Å; L191-A225 HydrophobicContact CD2-CB 3.76Å; L191-A225 HydrophobicContact CG-CB 3.81Å; S192-A225 WeakPolarHBondContact CB-O 3.44Å; I221-A225 WeakPolarHBondContact O-CB 3.41Å; I221-A225 PolarHBondContact O-N 3.45Å; T222-A225 WeakPolarHBondContact O-CB 3.47Å; T222-A225 PolarHBondContact O-N 3.21Å; T222-A225 VanDerWaalsContact O-N 3.15Å; A225-M227 VanDerWaalsContact C-N 3.33Å; A225-M227 PolarHBondContact O-N 3.17Å; A225-L228 PolarHBondContact O-N 3.31Å; A225-C229 PolarHBondContact O-N 3.43Å; A225-C229 PolarHBondContact O-SG 3.45Å
226	L	97.1	Very high	94.6	Very high	63 Å²	63	83.1 Å²	83.1	33%	0.33	38%	0.377	S	S	.	.	H	α-helix	trans	-67.9	-31.1	177.2	-68.4	176.1	0	0	0	112.9	I195 L203 T222 D223 K224 R230	I195-L226 HydrophobicContact CD1-CD2 4.41Å; L203-L226 HydrophobicContact CD2-CD1 4.4Å; L203-L226 HydrophobicContact CD2-CD2 4.04Å; L203-L226 HydrophobicContact CD2-CG 4.19Å; T222-L226 HydrophobicContact CG2-CD1 4.21Å; T222-L226 WeakPolarHBondContact O-CG 3.02Å; T222-L226 PolarHBondContact O-N 3.17Å; D223-L226 PolarHBondContact O-N 3.02Å; K224-L226 VanDerWaalsContact C-N 3.32Å; K224-L226 PolarHBondContact O-N 3.3Å; L226-R230 WeakPolarHBondContact O-CG 3.21Å
227	M	97.2	Very high	94.8	Very high	104 Å²	104	85.9 Å²	85.9	51%	0.512	39%	0.389	S	S	.	.	H	α-helix	trans	-65.4	-47.8	170.6	-69.8	-173.2	-65.6	0	0	110.9	D223 K224 A225 C229 R230 E231	D223-M227 WeakPolarHBondContact O-CG 3.4Å; D223-M227 PolarHBondContact O-N 3.42Å; K224-M227 HydrophobicContact CB-CE 4.3Å; K224-M227 HydrophobicContact CG-CE 4.44Å; K224-M227 PolarHBondContact O-N 3.31Å; A225-M227 VanDerWaalsContact C-N 3.33Å; A225-M227 PolarHBondContact O-N 3.17Å; M227-C229 VanDerWaalsContact C-N 3.27Å; M227-C229 PolarHBondContact O-N 2.74Å; M227-R230 WeakPolarHBondContact O-CB 3.49Å; M227-R230 PolarHBondContact O-N 2.78Å; M227-E231 PolarHBondContact O-N 3.27Å
228	L	96.2	Very high	94.8	Very high	38 Å²	38	78.9 Å²	78.9	20%	0.199	37%	0.366	C	S	.	.	H	α-helix	trans	-59.1	-36.5	177.1	-67.1	171.3	0	0	0	112.6	A188 E189 K224 A225 R230 E231	A188-L228 HydrophobicContact CB-CD1 4.29Å; E189-L228 HydrophobicContact CB-CD1 4.43Å; E189-L228 HydrophobicContact CG-CD1 3.9Å; K224-L228 WeakPolarHBondContact O-CG 3.26Å; K224-L228 PolarHBondContact O-N 3.23Å; A225-L228 PolarHBondContact O-N 3.31Å; L228-R230 PolarHBondContact O-N 3.03Å; L228-E231 PolarHBondContact O-N 2.73Å
229	C	94.6	Very high	94.7	Very high	28 Å²	28	84.5 Å²	84.5	19%	0.189	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.8	174.7	-69	0	0	0	0	114.2	S192 M196 A225 M227	S192-C229 VanDerWaalsContact CA-SG 3.59Å; S192-C229 VanDerWaalsContact CB-SG 3.55Å; M196-C229 HydrophobicContact CG-CB 4.31Å; M196-C229 HydrophobicContact SD-CB 4.39Å; A225-C229 PolarHBondContact O-N 3.43Å; A225-C229 PolarHBondContact O-SG 3.45Å; M227-C229 VanDerWaalsContact C-N 3.27Å; M227-C229 PolarHBondContact O-N 2.74Å
230	R	92.6	Very high	94.6	Very high	203 Å²	203	84.1 Å²	84.1	77%	0.766	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-17.1	179.2	-67.5	171.4	-177.1	-177.6	1	113	L226 M227 L228 Q232	L226-R230 WeakPolarHBondContact O-CG 3.21Å; M227-R230 WeakPolarHBondContact O-CB 3.49Å; M227-R230 PolarHBondContact O-N 2.78Å; L228-R230 PolarHBondContact O-N 3.03Å; R230-Q232 VanDerWaalsContact C-N 3.32Å
231	E	91.1	Very high	94.4	Very high	154 Å²	154	80.7 Å²	80.7	72%	0.72	38%	0.377	S	S	*	.			trans	-85.6	-8.2	-179.5	-68.4	174.6	176.9	0	0	112.6	M227 L228	M227-E231 PolarHBondContact O-N 3.27Å; L228-E231 PolarHBondContact O-N 2.73Å
232	Q	76.9	Confident	94.2	Very high	184 Å²	184	84.6 Å²	84.6	86%	0.86	39%	0.394	S	S	*	.			trans	-111.8	0	179.5	-60.7	-171.3	4.4	0	0	110.9	M196 R230	M196-Q232 HydrophobicContact SD-CB 4.09Å; M196-Q232 HydrophobicContact SD-CG 4.43Å; M196-Q232 PolarHBondContact SD-OE1 3.26Å; R230-Q232 VanDerWaalsContact C-N 3.32Å

Retrieved 232 of 232 residues in 273 ms (Link to these results)

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