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Peptidoglycan-recognition protein SA

Peptidoglycan-recognition protein that plays a key role in innate immunity by binding to peptidoglycans (PGN) of Gram-positive bacteria and activating the Toll pathway upstream of spz activating enzyme SPE^1,2,3. Has no activity against Gram-negative bacteria and fungi⁴. Shows some partial redundancy with PRPGP-SD in Gram-positive bacteria recognition^5,6. May act by forming a complex with GNBP1 that activates the proteolytic cleavage of Spatzle and the subsequent activation of Toll pathway^7,8,9. Binds to diaminopimelic acid-type tetrapeptide PGN (DAP-type PGN) and lysine-type PGN (Lys-type PGN)¹⁰. Has some L,D-carboxypeptidase activity for DAP-type PGN, which are specific to prokaryotes, but not for Lys-type PGN¹¹.

AlphaFold DB , UniProt , Accession Q9VYX7, Species DROME (Drosophila melanogaster, Fruit fly), Gene PGRP-SA, Length 203 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.3	Very low	51.8	Low	246 Å²	246	156.5 Å²	156.5	100%	1.212	81%	0.808	S	S	*	*				0	115.1	0	-73.2	168.5	171	0	0	107.6
2	Q	43.7	Very low	52.1	Low	191 Å²	191	156.6 Å²	156.6	89%	0.893	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-76.1	141.3	-178.8	-74.8	174.7	-63.1	0	0	110.9
3	P	51.8	Low	52.3	Low	123 Å²	123	148.8 Å²	148.8	80%	0.799	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-86.7	128.1	173.9	32.1	-29.3	0	0	0	111.2
4	V	48.2	Very low	52.5	Low	116 Å²	116	146.7 Å²	146.7	70%	0.703	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-90.8	122.4	166	178.3	0	0	0	0	107.6	F6	V4-F6 HydrophobicContact CG1-CD2 3.95Å; V4-F6 HydrophobicContact CG1-CE2 3.71Å; V4-F6 HydrophobicContact CG1-CZ 4.41Å
5	R	54.3	Low	52.4	Low	243 Å²	243	139.3 Å²	139.3	92%	0.917	74%	0.739	S	S	*	*			trans	-120.9	117	165.4	-82.7	-168.5	174.6	-166.8	-0.3	109.6
6	F	55.2	Low	52.6	Low	200 Å²	200	137.8 Å²	137.8	88%	0.877	73%	0.731	S	S	*	*			trans	-73.7	113.5	174	-76.2	-94.7	0	0	0	110.2	V4	V4-F6 HydrophobicContact CG1-CD2 3.95Å; V4-F6 HydrophobicContact CG1-CE2 3.71Å; V4-F6 HydrophobicContact CG1-CZ 4.41Å
7	G	50.6	Low	52.7	Low	74 Å²	74	135.4 Å²	135.4	76%	0.763	72%	0.722	S	S	*	*			trans	-93	116	164.4	0	0	0	0	0	109.8
8	S	55	Low	52.7	Low	80 Å²	80	134.7 Å²	134.7	56%	0.559	72%	0.718	S	S	*	*			trans	-73.7	124.5	-178.6	-179.8	0	0	0	0	111.4	W10	S8-W10 PolarHBondContact O-N 3.5Å
9	P	57.3	Low	52.7	Low	99 Å²	99	134.1 Å²	134.1	64%	0.643	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-4.9	-172.4	27.5	-33.6	0	0	0	114.9	I11 M12	P9-I11 VanDerWaalsContact C-N 3.29Å; P9-I11 PolarHBondContact O-N 3.2Å; P9-M12 PolarHBondContact O-N 3.35Å
10	W	51.8	Low	52.8	Low	205 Å²	205	134 Å²	134	78%	0.777	71%	0.713	S	S	*	*	H	α-helix	trans	-71.3	-20.2	-174.3	-69.8	83.6	0	0	0	114.2	S8 M12 A13	S8-W10 PolarHBondContact O-N 3.5Å; W10-M12 VanDerWaalsContact C-N 3.28Å; W10-M12 PolarHBondContact O-N 3.4Å; W10-A13 PolarHBondContact O-N 3.31Å
11	I	55.9	Low	52.8	Low	145 Å²	145	133.7 Å²	133.7	74%	0.744	71%	0.711	S	S	*	*	H	α-helix	trans	-70.9	-24.8	178.6	-60.7	176.9	0	0	0	111.5	P9	P9-I11 VanDerWaalsContact C-N 3.29Å; P9-I11 PolarHBondContact O-N 3.2Å
12	M	54.6	Low	53.3	Low	157 Å²	157	125.9 Å²	125.9	77%	0.773	69%	0.685	S	S	*	*	H	α-helix	trans	-74.5	-27.8	179.5	-72.8	-166.2	-167.9	0	0	113.7	P9 W10 L16	P9-M12 PolarHBondContact O-N 3.35Å; W10-M12 VanDerWaalsContact C-N 3.28Å; W10-M12 PolarHBondContact O-N 3.4Å; M12-L16 PolarHBondContact O-N 3.32Å
13	A	55.5	Low	53.9	Low	55 Å²	55	125.5 Å²	125.5	46%	0.455	68%	0.681	S	S	.	*	H	α-helix	trans	-74.1	-34.1	-174.4	0	0	0	0	0	113.1	W10 L16 V17	W10-A13 PolarHBondContact O-N 3.31Å; A13-L16 PolarHBondContact O-N 3.48Å; A13-V17 PolarHBondContact O-N 3.47Å
14	I	54.5	Low	54.1	Low	120 Å²	120	125.4 Å²	125.4	62%	0.615	68%	0.678	S	S	*	*	H	α-helix	trans	-72.9	-34.9	179.6	-60.1	174.6	0	0	0	110.8	L16 V17 L18	I14-L16 VanDerWaalsContact C-N 3.32Å; I14-L16 PolarHBondContact O-N 3.43Å; I14-V17 PolarHBondContact O-N 3.43Å; I14-L18 HydrophobicContact CG2-CD1 4.33Å; I14-L18 PolarHBondContact O-N 3.45Å
15	G	51.9	Low	54.6	Low	35 Å²	35	124.6 Å²	124.6	36%	0.361	68%	0.678	S	S	.	*	H	α-helix	trans	-63.9	-35.3	175.7	0	0	0	0	0	113.2	L19	G15-L19 PolarHBondContact O-N 3.44Å; G15-L19 VanDerWaalsContact O-N 3.16Å
16	L	55.1	Low	54.9	Low	115 Å²	115	118 Å²	118	60%	0.602	68%	0.675	S	S	*	*	H	α-helix	trans	-71.2	-34	179.6	-106.2	148.5	0	0	0	113.1	M12 A13 I14 L19 L20	M12-L16 PolarHBondContact O-N 3.32Å; A13-L16 PolarHBondContact O-N 3.48Å; I14-L16 VanDerWaalsContact C-N 3.32Å; I14-L16 PolarHBondContact O-N 3.43Å; L16-L19 PolarHBondContact O-N 3.49Å; L16-L20 WeakPolarHBondContact O-CG 3.47Å; L16-L20 PolarHBondContact O-N 3.48Å
17	V	54.3	Low	55.1	Low	97 Å²	97	111.7 Å²	111.7	59%	0.588	67%	0.666	S	S	*	*	H	α-helix	trans	-73.5	-33.5	177.2	178.9	0	0	0	0	111.7	A13 I14 L20	A13-V17 PolarHBondContact O-N 3.47Å; I14-V17 PolarHBondContact O-N 3.43Å; V17-L20 PolarHBondContact O-N 3.16Å
18	L	52.7	Low	55.5	Low	124 Å²	124	118 Å²	118	65%	0.649	67%	0.673	S	S	*	*	H	α-helix	trans	-74.1	-26.3	174.9	-72.8	167.5	0	0	0	113.2	I14	I14-L18 HydrophobicContact CG2-CD1 4.33Å; I14-L18 PolarHBondContact O-N 3.45Å
19	L	53	Low	55.8	Low	123 Å²	123	119.2 Å²	119.2	64%	0.644	68%	0.682	S	S	*	*	H	α-helix	trans	-74.5	-22.4	174.5	-85.7	159.3	0	0	0	113.6	G15 L16	G15-L19 PolarHBondContact O-N 3.44Å; G15-L19 VanDerWaalsContact O-N 3.16Å; L16-L19 PolarHBondContact O-N 3.49Å
20	L	53.7	Low	56.1	Low	131 Å²	131	125.9 Å²	125.9	69%	0.686	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-16.8	179.9	-73	167.8	0	0	0	113.9	L16 V17	L16-L20 WeakPolarHBondContact O-CG 3.47Å; L16-L20 PolarHBondContact O-N 3.48Å; V17-L20 PolarHBondContact O-N 3.16Å
21	L	53.6	Low	56.5	Low	128 Å²	128	124.7 Å²	124.7	67%	0.67	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-5.1	-178.1	-74.9	164.8	0	0	0	114.5
22	A	55.8	Low	56.6	Low	82 Å²	82	129.2 Å²	129.2	68%	0.678	71%	0.705	S	S	*	*	S	Bend	trans	-89.3	-2.3	-175.9	0	0	0	0	0	115.1	V24	A22-V24 VanDerWaalsContact C-N 3.27Å; A22-V24 PolarHBondContact O-N 3.31Å
23	F	56.6	Low	56.9	Low	184 Å²	184	125.3 Å²	125.3	81%	0.807	69%	0.693	S	S	*	*			trans	-90	32.9	178.9	-71.5	-77.7	0	0	0	113.8	S25	F23-S25 PolarHBondContact O-N 3.29Å
24	V	56.6	Low	57.3	Low	120 Å²	120	125 Å²	125	73%	0.727	69%	0.686	S	S	*	*			trans	-91	96.6	176.5	-175.6	0	0	0	0	110	A22	A22-V24 VanDerWaalsContact C-N 3.27Å; A22-V24 PolarHBondContact O-N 3.31Å
25	S	58.8	Low	57.9	Low	100 Å²	100	124.2 Å²	124.2	70%	0.699	70%	0.697	S	S	*	*			trans	62.4	85.8	151	-57.5	0	0	0	0	117.2	F23 G27	F23-S25 PolarHBondContact O-N 3.29Å; S25-G27 VanDerWaalsContact C-N 3.25Å; S25-G27 PolarHBondContact O-N 3.1Å
26	A	61.1	Low	59.3	Low	104 Å²	104	128.2 Å²	128.2	86%	0.86	71%	0.711	S	S	*	*			trans	-56.7	96.6	145.7	0	0	0	0	0	107.9	K28	A26-K28 PolarHBondContact O-N 2.86Å; A26-K28 VanDerWaalsContact O-N 3.1Å
27	G	59	Low	61.1	Low	67 Å²	67	123.8 Å²	123.8	69%	0.691	69%	0.689	S	S	*	*			trans	-55.5	118.1	174.7	0	0	0	0	0	108.6	S25 S29	S25-G27 VanDerWaalsContact C-N 3.25Å; S25-G27 PolarHBondContact O-N 3.1Å; G27-S29 PolarHBondContact O-N 3.07Å
28	K	59	Low	63	Low	206 Å²	206	120.1 Å²	120.1	90%	0.896	67%	0.667	S	S	*	*			trans	-56.8	109.2	170.5	-74.6	179.2	179.2	178.1	0	107.1	A26 R30	A26-K28 PolarHBondContact O-N 2.86Å; A26-K28 VanDerWaalsContact O-N 3.1Å; K28-R30 PolarHBondContact O-N 3.02Å; K28-R30 VanDerWaalsContact O-N 3.07Å
29	S	60.1	Low	64.8	Low	107 Å²	107	119.2 Å²	119.2	75%	0.748	67%	0.667	S	S	*	*			trans	-52.2	117.4	168.7	174.4	0	0	0	0	107.6	G27 Q31	G27-S29 PolarHBondContact O-N 3.07Å; S29-Q31 PolarHBondContact O-N 2.93Å
30	R	63.8	Low	66.9	Low	238 Å²	238	115.6 Å²	115.6	90%	0.898	65%	0.648	S	S	*	*			trans	-65.2	107.7	173.9	-168.4	175.1	-171.9	-178.1	0.9	105.7	K28 R32	K28-R30 PolarHBondContact O-N 3.02Å; K28-R30 VanDerWaalsContact O-N 3.07Å; R30-R32 PolarHBondContact O-N 3.37Å
31	Q	60.7	Low	69.1	Low	181 Å²	181	111.8 Å²	111.8	85%	0.846	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-53.2	119	175.1	-72.1	-160.5	-21.2	0	0	108	S29 S33	S29-Q31 PolarHBondContact O-N 2.93Å; Q31-S33 PolarHBondContact O-N 3.08Å
32	R	59.2	Low	71.2	Confident	240 Å²	240	108 Å²	108	91%	0.906	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-68.3	122.5	174.7	-170.4	175.3	-177.1	174.1	0.2	105.7	R30	R30-R32 PolarHBondContact O-N 3.37Å
33	S	60.6	Low	73.2	Confident	75 Å²	75	105.2 Å²	105.2	52%	0.524	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-49.4	145.6	170.8	-55	0	0	0	0	109.1	Q31	Q31-S33 PolarHBondContact O-N 3.08Å
34	P	62.5	Low	75.1	Confident	47 Å²	47	105.9 Å²	105.9	31%	0.305	58%	0.576	S	S	.	*			trans	-45.7	146.2	170.1	-24.8	31.5	0	0	0	110.5	N36 C37	P34-N36 PolarHBondContact O-N 3.2Å; P34-C37 PolarHBondContact O-N 2.8Å
35	A	68	Low	77.1	Confident	104 Å²	104	104.7 Å²	104.7	86%	0.86	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	-19.8	-167.3	0	0	0	0	0	115
36	N	81.9	Confident	79	Confident	120 Å²	120	100.1 Å²	100.1	64%	0.642	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	6.8	-174.2	-55.3	-15.4	0	0	0	114	P34 D156	P34-N36 PolarHBondContact O-N 3.2Å; N36-D156 WeakPolarHBondContact O-CB 3.46Å
37	C	93.1	Very high	80.8	Confident	21 Å²	21	97.2 Å²	97.2	14%	0.142	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-78	131.9	175.7	-77.3	0	0	0	0	110.6	P34 C160	P34-C37 PolarHBondContact O-N 2.8Å; C37-C160 HydrophobicContact CB-CB 3.91Å; C37-C160 WeakPolarHBondContact CB-SG 3.28Å; C37-C160 WeakPolarHBondContact SG-CB 3.32Å; C37-C160 CovalentContact SG-SG 2.03Å; C37-C160 PolarHBondContact SG-SG 3.48Å
38	P	93.7	Very high	82.6	Confident	21 Å²	21	94.7 Å²	94.7	14%	0.136	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-71	157.6	-178.2	30.8	-33.8	0	0	0	110.7	I40 V112 D156 L157	P38-I40 PolarHBondContact O-N 2.83Å; P38-V112 HydrophobicContact CB-CG2 4.04Å; P38-V112 HydrophobicContact CG-CG2 3.94Å; P38-D156 HydrophobicContact CB-CB 4.25Å; P38-D156 HydrophobicContact CG-CB 4.16Å; P38-L157 HydrophobicContact CG-CB 3.94Å; P38-L157 HydrophobicContact CG-CD1 4.27Å
39	T	90.2	Very high	84.5	Confident	104 Å²	104	90.4 Å²	90.4	64%	0.638	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-71	116.9	169.8	-64.6	0	0	0	0	109.4
40	I	97.9	Very high	86.3	Confident	47 Å²	47	90.4 Å²	90.4	24%	0.241	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120	172.4	-56.8	175.7	0	0	0	109.1	P38 L42 F104 V112 E114 L157	P38-I40 PolarHBondContact O-N 2.83Å; I40-L42 PolarHBondContact O-N 3.48Å; I40-F104 HydrophobicContact CD1-CE1 4.12Å; I40-F104 HydrophobicContact CG2-CE1 4.33Å; I40-V112 CarbonylContact C-O 3.47Å; I40-V112 WeakPolarHBondContact CA-O 3.42Å; I40-V112 HydrophobicContact CG1-CB 4.18Å; I40-V112 HydrophobicContact CG1-CG1 4.12Å; I40-V112 HydrophobicContact CG2-CG1 4.41Å; I40-E114 HydrophobicContact CG2-CB 3.95Å; I40-L157 HydrophobicContact CD1-CD1 3.95Å; I40-L157 HydrophobicContact CG1-CD1 4.47Å
41	K	98.1	Very high	87.9	Confident	51 Å²	51	80.7 Å²	80.7	22%	0.222	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	110.2	167	-70.1	-65.8	-178.4	-178.2	0	108.6	I111 V112 Y113 E114	K41-I111 HydrophobicContact CB-CG2 4.15Å; K41-I111 HydrophobicContact CG-CG2 3.34Å; K41-V112 PolarHBondContact N-O 2.88Å; K41-Y113 HydrophobicContact CB-CD1 3.78Å; K41-Y113 HydrophobicContact CB-CE1 4.09Å; K41-Y113 HydrophobicContact CG-CD1 4.26Å; K41-Y113 HydrophobicContact CG-CE1 4.08Å; K41-E114 WeakPolarHBondContact O-CB 3.28Å; K41-E114 PolarHBondContact O-N 2.9Å
42	L	98.1	Very high	89.7	Confident	48 Å²	48	78 Å²	78	25%	0.251	42%	0.422	S	S	.	.			trans	-63.1	154.9	178.7	-56.6	176.9	0	0	0	110.5	I40 R44 Q45 W46 E114	I40-L42 PolarHBondContact O-N 3.48Å; L42-R44 VanDerWaalsContact C-N 3.27Å; L42-R44 HydrophobicContact CB-CG 4.33Å; L42-R44 VanDerWaalsContact CD1-CZ 3.46Å; L42-R44 PolarHBondContact O-N 2.96Å; L42-R44 VanDerWaalsContact O-N 3.17Å; L42-Q45 HydrophobicContact CB-CG 4.16Å; L42-Q45 WeakPolarHBondContact O-CA 3.39Å; L42-Q45 VanDerWaalsContact O-CB 3.29Å; L42-Q45 WeakPolarHBondContact O-CB 3.46Å; L42-Q45 PolarHBondContact O-N 3.01Å; L42-W46 VanDerWaalsContact O-CD1 3.31Å; L42-W46 PolarHBondContact O-N 2.84Å; L42-E114 VanDerWaalsContact CA-OE2 3.28Å; L42-E114 WeakPolarHBondContact CA-OE2 3.37Å
43	K	97.9	Very high	91.5	Very high	25 Å²	25	67.7 Å²	67.7	11%	0.109	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-47.1	-48.3	-179.1	-167.8	173.1	-166.4	85.3	0	113.6	Q45 W46 G47 G48 K49 D99 E114 G115	K43-Q45 PolarHBondContact O-N 3.02Å; K43-W46 HydrophobicContact CB-CZ2 4.29Å; K43-W46 HydrophobicContact CG-CH2 4.15Å; K43-W46 HydrophobicContact CG-CZ2 3.64Å; K43-W46 PolarHBondContact O-N 3.34Å; K43-G47 PolarHBondContact O-N 2.84Å; K43-G48 PolarHBondContact O-N 3.42Å; K43-K49 WeakPolarHBondContact CE-O 2.82Å; K43-D99 WeakPolarHBondContact CE-OD1 3.43Å; K43-D99 WeakPolarHBondContact CE-OD2 3.35Å; K43-D99 IonicContact NZ-OD1 2.74Å; K43-D99 PolarHBondContact NZ-OD1 2.85Å; K43-D99 IonicContact NZ-OD2 3.46Å; K43-D99 PolarHBondContact NZ-OD2 3.38Å; K43-E114 WeakPolarHBondContact CB-OE2 3.46Å; K43-E114 PolarHBondContact N-OE2 2.82Å; K43-G115 PolarHBondContact NZ-O 2.91Å
44	R	97.5	Very high	93.2	Very high	198 Å²	198	68.8 Å²	68.8	75%	0.747	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-62.7	-25	177	65.8	177.2	179.7	-95.6	2.9	114.4	L42	L42-R44 VanDerWaalsContact C-N 3.27Å; L42-R44 HydrophobicContact CB-CG 4.33Å; L42-R44 VanDerWaalsContact CD1-CZ 3.46Å; L42-R44 PolarHBondContact O-N 2.96Å; L42-R44 VanDerWaalsContact O-N 3.17Å
45	Q	98.2	Very high	94.9	Very high	95 Å²	95	71.3 Å²	71.3	44%	0.444	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-82.3	-25.4	-176.2	-61.3	-178.7	-75.8	0	0	112.8	L42 K43	L42-Q45 HydrophobicContact CB-CG 4.16Å; L42-Q45 WeakPolarHBondContact O-CA 3.39Å; L42-Q45 VanDerWaalsContact O-CB 3.29Å; L42-Q45 WeakPolarHBondContact O-CB 3.46Å; L42-Q45 PolarHBondContact O-N 3.01Å; K43-Q45 PolarHBondContact O-N 3.02Å
46	W	98.3	Very high	96.3	Very high	3 Å²	3	74.9 Å²	74.9	1%	0.011	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	7.9	170.8	58.6	-104.2	0	0	0	112.5	L42 K43 G48 L77 A81 L84 Q85 Q88 Y113 E114	L42-W46 VanDerWaalsContact O-CD1 3.31Å; L42-W46 PolarHBondContact O-N 2.84Å; K43-W46 HydrophobicContact CB-CZ2 4.29Å; K43-W46 HydrophobicContact CG-CH2 4.15Å; K43-W46 HydrophobicContact CG-CZ2 3.64Å; K43-W46 PolarHBondContact O-N 3.34Å; W46-G48 VanDerWaalsContact CE3-N 3.28Å; W46-L77 HydrophobicContact CB-CD1 4.39Å; W46-A81 HydrophobicContact CB-CB 4Å; W46-A81 WeakPolarHBondContact O-CB 3.42Å; W46-L84 HydrophobicContact CB-CD1 4.26Å; W46-L84 HydrophobicContact CD2-CB 4.13Å; W46-L84 HydrophobicContact CD2-CD1 4.01Å; W46-L84 HydrophobicContact CE3-CB 3.64Å; W46-L84 HydrophobicContact CE3-CD1 4.36Å; W46-L84 HydrophobicContact CG-CD1 3.97Å; W46-L84 HydrophobicContact CH2-CB 4.43Å; W46-L84 HydrophobicContact CZ3-CB 3.81Å; W46-Q85 HydrophobicContact CE3-CG 4.23Å; W46-Q85 HydrophobicContact CZ3-CG 4.34Å; W46-Q85 PolarHBondContact O-NE2 2.8Å; W46-Q88 HydrophobicContact CH2-CB 4.44Å; W46-Y113 HydrophobicContact CB-CD1 4.21Å; W46-Y113 AromaticContact CD1-CD1 3.91Å; W46-Y113 HydrophobicContact CG-CD1 4.25Å; W46-E114 VanDerWaalsContact CZ2-O 3.22Å; W46-E114 WeakPolarHBondContact CZ2-O 3.37Å; W46-E114 PolarHBondContact NE1-O 2.91Å
47	G	98.3	Very high	97	Very high	43 Å²	43	69.8 Å²	69.8	44%	0.443	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	19.7	176.5	0	0	0	0	0	114.7	K43	K43-G47 PolarHBondContact O-N 2.84Å
48	G	98.4	Very high	97.1	Very high	15 Å²	15	75 Å²	75	16%	0.155	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-66.4	142.5	175.9	0	0	0	0	0	113.1	K43 W46 Q88	K43-G48 PolarHBondContact O-N 3.42Å; W46-G48 VanDerWaalsContact CE3-N 3.28Å; G48-Q88 VanDerWaalsContact CA-OE1 3.3Å
49	K	98	Very high	97.3	Very high	115 Å²	115	80 Å²	80	50%	0.5	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-77.9	154.3	175.8	-64.5	-177.8	179.5	176.5	0	111.2	K43 Q88	K43-K49 WeakPolarHBondContact CE-O 2.82Å; K49-Q88 PolarHBondContact O-NE2 3.17Å
50	P	97.2	Very high	97.7	Very high	108 Å²	108	78 Å²	78	70%	0.701	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-54.1	151.4	171.6	-25.1	35.2	0	0	0	112.9	Q92	P50-Q92 PolarHBondContact O-NE2 3.36Å
51	S	97.8	Very high	97.7	Very high	33 Å²	33	75.9 Å²	75.9	23%	0.231	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-64.7	143.2	167.2	177	0	0	0	0	110.2	G53 N98	S51-G53 VanDerWaalsContact C-N 3.29Å; S51-G53 PolarHBondContact OG-N 2.88Å; S51-G53 PolarHBondContact OG-O 2.52Å; S51-N98 CarbonylContact C-O 3.56Å; S51-N98 WeakPolarHBondContact CA-O 3.29Å; S51-N98 PolarHBondContact OG-O 2.86Å
52	L	98	Very high	97.7	Very high	125 Å²	125	80.5 Å²	80.5	65%	0.654	40%	0.403	S	S	*	.	S	Bend	trans	-77.2	-16.9	175.1	-53.7	176.5	0	0	0	112.2	Q92 N98	L52-Q92 HydrophobicContact CD1-CB 4.28Å; L52-Q92 HydrophobicContact CD1-CG 4.3Å; L52-N98 PolarHBondContact N-O 3.06Å
53	G	97.3	Very high	97.7	Very high	23 Å²	23	81.1 Å²	81.1	24%	0.237	40%	0.403	C	S	.	.			trans	-164.8	135	-179	0	0	0	0	0	112.4	S51 N98	S51-G53 VanDerWaalsContact C-N 3.29Å; S51-G53 PolarHBondContact OG-N 2.88Å; S51-G53 PolarHBondContact OG-O 2.52Å; G53-N98 WeakPolarHBondContact O-CB 3.24Å
54	L	96.9	Very high	97.7	Very high	98 Å²	98	79.9 Å²	79.9	51%	0.513	40%	0.397	S	S	.	.			trans	-105.6	127	-178.4	-59.8	179.5	0	0	0	110.6	L120	L54-L120 HydrophobicContact CB-CD2 4.17Å; L54-L120 HydrophobicContact CD2-CD1 4.08Å; L54-L120 HydrophobicContact CD2-CD2 4.21Å
55	H	97.5	Very high	97.8	Very high	101 Å²	101	70.5 Å²	70.5	47%	0.468	36%	0.362	S	S	.	.			trans	-124.6	110.1	173.9	-61.3	-77.2	0	0	0	108.8	N98 L120 R121	H55-N98 PolarHBondContact CD2-ND2 3.37Å; H55-N98 PolarHBondContact NE2-ND2 3.07Å; H55-L120 WeakPolarHBondContact O-CA 3.31Å; H55-R121 HydrophobicContact CB-CB 4Å; H55-R121 PolarHBondContact O-N 3.25Å
56	Y	97.5	Very high	97.8	Very high	178 Å²	178	66 Å²	66	70%	0.698	34%	0.341	S	S	*	.	B	Isolated β-bridge	trans	-75	142.5	-179.4	-63.8	-82.4	0	0	0	111.5	G119 L120	Y56-G119 WeakPolarHBondContact CA-O 3.44Å; Y56-L120 HydrophobicContact CD1-CD2 3.82Å; Y56-L120 HydrophobicContact CE1-CD2 3.9Å; Y56-L120 HydrophobicContact CG-CD2 4.33Å
57	Q	96.7	Very high	97.9	Very high	13 Å²	13	66 Å²	66	6%	0.061	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-98.6	152	172.2	-63.4	171.9	-44.6	0	0	110.3	I61 G119 L120 R121 N129 G132	Q57-I61 HydrophobicContact CB-CD1 3.48Å; Q57-I61 VanDerWaalsContact CB-CD1 3.48Å; Q57-I61 HydrophobicContact CG-CD1 4.22Å; Q57-G119 PolarHBondContact N-O 3.31Å; Q57-L120 PolarHBondContact OE1-O 3.36Å; Q57-R121 HydrophobicContact CG-CB 3.97Å; Q57-N129 PolarHBondContact NE2-O 3.41Å; Q57-G132 PolarHBondContact NE2-O 3.28Å
58	V	96.2	Very high	97.9	Very high	130 Å²	130	64.4 Å²	64.4	79%	0.788	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-77.3	124.7	172.3	179.9	0	0	0	0	108.7	I61	V58-I61 WeakPolarHBondContact O-CD1 3.41Å
59	R	96.8	Very high	97.9	Very high	126 Å²	126	64.5 Å²	64.5	48%	0.475	32%	0.319	S	S	.	.	S	Bend	trans	-99.8	153.7	176.9	-71	-178.9	-66	-118.7	-9.1	111.7	I61 E166	R59-I61 HydrophobicContact CG-CD1 4.48Å; R59-I61 HydrophobicContact CG-CG1 4.33Å; R59-E166 WeakPolarHBondContact CD-OE2 3.36Å; R59-E166 IonicContact NE-OE2 3.7Å; R59-E166 IonicContact NH1-OE2 3.61Å
60	P	98	Very high	97.9	Very high	63 Å²	63	63.4 Å²	63.4	41%	0.409	32%	0.322	S	S	.	.	S	Bend	cis	-73.2	144.6	-1.9	30.6	-35.5	0	0	0	112.6
61	I	98.3	Very high	98	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	135.8	-179.6	-58.2	-66.3	0	0	0	109.8	Q57 V58 R59 Y63 I131 E166 L167 S168	Q57-I61 HydrophobicContact CB-CD1 3.48Å; Q57-I61 VanDerWaalsContact CB-CD1 3.48Å; Q57-I61 HydrophobicContact CG-CD1 4.22Å; V58-I61 WeakPolarHBondContact O-CD1 3.41Å; R59-I61 HydrophobicContact CG-CD1 4.48Å; R59-I61 HydrophobicContact CG-CG1 4.33Å; I61-Y63 WeakPolarHBondContact CG2-O 3.46Å; I61-I131 WeakPolarHBondContact CG2-O 3.41Å; I61-E166 WeakPolarHBondContact CB-O 3.29Å; I61-E166 WeakPolarHBondContact CG1-O 3.32Å; I61-E166 PolarHBondContact N-O 3.08Å; I61-L167 HydrophobicContact CB-CD2 4.02Å; I61-L167 HydrophobicContact CG2-CD2 4.32Å; I61-S168 PolarHBondContact O-N 3.47Å
62	R	97.9	Very high	98	Very high	148 Å²	148	61.3 Å²	61.3	56%	0.558	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	-14.3	-172.7	-68.9	179.2	172.7	-98.4	-1.7	114.6	Y171 A172	R62-Y171 CarbonylContact O-C 3.58Å; R62-Y171 VanDerWaalsContact O-CA 3.3Å; R62-Y171 WeakPolarHBondContact O-CA 3.25Å; R62-A172 PolarHBondContact O-N 3.38Å
63	Y	98.6	Very high	98	Very high	61 Å²	61	58.4 Å²	58.4	24%	0.239	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.5	179.8	-69.2	-88	0	0	0	111.9	I61 Y128 I131 G132 T133 A172 I174	I61-Y63 WeakPolarHBondContact CG2-O 3.46Å; Y63-Y128 HydrophobicContact CD1-CD1 4.04Å; Y63-Y128 AromaticContact CD1-CE1 3.69Å; Y63-Y128 HydrophobicContact CD1-CE1 3.69Å; Y63-Y128 HydrophobicContact CD2-CD1 4.41Å; Y63-Y128 HydrophobicContact CD2-CE1 4.48Å; Y63-Y128 AromaticContact CE1-CE1 3.86Å; Y63-Y128 HydrophobicContact CE1-CE1 3.86Å; Y63-Y128 AromaticContact CG-CD1 3.94Å; Y63-Y128 HydrophobicContact CG-CD1 3.94Å; Y63-Y128 HydrophobicContact CG-CE1 4.03Å; Y63-I131 HydrophobicContact CD2-CD1 3.88Å; Y63-I131 HydrophobicContact CD2-CG1 4.16Å; Y63-I131 HydrophobicContact CE2-CD1 3.93Å; Y63-I131 PolarHBondContact N-O 2.74Å; Y63-G132 CarbonylContact O-C 3.6Å; Y63-G132 WeakPolarHBondContact O-CA 3.26Å; Y63-T133 PolarHBondContact O-N 2.76Å; Y63-A172 CarbonylContact C-O 3.58Å; Y63-A172 WeakPolarHBondContact CA-O 3.48Å; Y63-A172 HydrophobicContact CD1-CB 3.81Å; Y63-A172 HydrophobicContact CE1-CB 3.88Å; Y63-I174 HydrophobicContact CD1-CD1 4.31Å
64	V	98.9	Very high	98.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.7	166.4	174.2	0	0	0	0	107.2	I66 T133 I135 L158 L167 Y171 A172 L173 I174	V64-I66 HydrophobicContact CG1-CD1 3.87Å; V64-T133 WeakPolarHBondContact CA-O 3.5Å; V64-I135 HydrophobicContact CG1-CD1 3.78Å; V64-I135 HydrophobicContact CG1-CG1 4.29Å; V64-L158 HydrophobicContact CB-CD2 4.29Å; V64-L158 HydrophobicContact CG1-CD2 3.78Å; V64-L158 HydrophobicContact CG2-CD2 3.75Å; V64-L167 HydrophobicContact CG2-CD1 3.98Å; V64-L167 HydrophobicContact CG2-CD2 3.74Å; V64-Y171 HydrophobicContact CB-CD2 4.1Å; V64-Y171 HydrophobicContact CB-CE2 4.19Å; V64-Y171 HydrophobicContact CG2-CD2 3.58Å; V64-Y171 HydrophobicContact CG2-CE2 3.82Å; V64-Y171 HydrophobicContact CG2-CG 4.43Å; V64-A172 PolarHBondContact N-O 3.2Å; V64-L173 HydrophobicContact CB-CD1 3.97Å; V64-L173 HydrophobicContact CG1-CD1 3.64Å; V64-I174 WeakPolarHBondContact O-CG1 3.49Å; V64-I174 PolarHBondContact O-N 3.37Å
65	V	98.9	Very high	98.1	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	117.6	178.7	-162.4	0	0	0	0	109.3	H67 T125 Y128 T133 G134 I135 I174	V65-H67 VanDerWaalsContact CG1-NE2 3.31Å; V65-H67 WeakPolarHBondContact CG1-NE2 3.4Å; V65-H67 PolarHBondContact O-CD2 2.9Å; V65-H67 VanDerWaalsContact O-CD2 3.31Å; V65-T125 HydrophobicContact CG1-CG2 4.44Å; V65-Y128 HydrophobicContact CG2-CD1 4.39Å; V65-Y128 HydrophobicContact CG2-CG 4.34Å; V65-T133 PolarHBondContact N-O 3.05Å; V65-G134 WeakPolarHBondContact O-CA 3.44Å; V65-I135 PolarHBondContact O-N 2.8Å; V65-I174 CarbonylContact C-O 3.51Å; V65-I174 WeakPolarHBondContact CA-O 3.39Å; V65-I174 HydrophobicContact CB-CG1 4.38Å; V65-I174 HydrophobicContact CG1-CD1 4.49Å; V65-I174 HydrophobicContact CG1-CG1 4.25Å; V65-I174 HydrophobicContact CG2-CD1 3.99Å; V65-I174 HydrophobicContact CG2-CG1 3.98Å
66	I	98.9	Very high	98.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	134	179.1	-55.5	-57	0	0	0	110.6	V64 I135 F137 L173 I174 G176 P185 L189 I193	V64-I66 HydrophobicContact CG1-CD1 3.87Å; I66-I135 CarbonylContact C-O 3.57Å; I66-I135 WeakPolarHBondContact CA-O 3.18Å; I66-I135 HydrophobicContact CD1-CB 4Å; I66-I135 HydrophobicContact CD1-CD1 4.4Å; I66-F137 HydrophobicContact CG2-CD2 4.08Å; I66-F137 HydrophobicContact CG2-CE2 3.92Å; I66-L173 HydrophobicContact CD1-CD1 3.81Å; I66-L173 HydrophobicContact CG1-CD1 3.66Å; I66-L173 HydrophobicContact CG1-CG 4.39Å; I66-I174 PolarHBondContact N-O 3.21Å; I66-G176 PolarHBondContact O-N 2.74Å; I66-P185 HydrophobicContact CG2-CB 3.98Å; I66-P185 HydrophobicContact CG2-CG 4.21Å; I66-L189 HydrophobicContact CG2-CD2 4.34Å; I66-I193 HydrophobicContact CB-CD1 3.81Å; I66-I193 HydrophobicContact CG1-CD1 4.1Å; I66-I193 HydrophobicContact CG1-CG2 4.45Å; I66-I193 HydrophobicContact CG2-CD1 4.16Å; I66-I193 HydrophobicContact CG2-CG2 4.29Å
67	H	98.9	Very high	98	Very high	5 Å²	5	48.1 Å²	48.1	2%	0.023	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	165.6	-179.8	-65.5	-89.7	0	0	0	113	V65 Y102 H124 T125 I135 A136 F137 S184	V65-H67 VanDerWaalsContact CG1-NE2 3.31Å; V65-H67 WeakPolarHBondContact CG1-NE2 3.4Å; V65-H67 PolarHBondContact O-CD2 2.9Å; V65-H67 VanDerWaalsContact O-CD2 3.31Å; H67-Y102 HydrophobicContact CB-CD1 4.2Å; H67-Y102 HydrophobicContact CB-CE1 3.57Å; H67-Y102 AromaticContact CD2-CE1 3.87Å; H67-Y102 AromaticContact CG-CE1 3.59Å; H67-H124 AromaticContact NE2-ND1 3.49Å; H67-H124 PolarHBondContact NE2-ND1 3.45Å; H67-T125 PolarHBondContact CE1-OG1 3.36Å; H67-T125 PolarHBondContact NE2-OG1 2.98Å; H67-I135 PolarHBondContact N-O 2.77Å; H67-A136 HydrophobicContact CB-CB 3.96Å; H67-A136 CarbonylContact O-C 3.54Å; H67-A136 WeakPolarHBondContact O-CA 3.37Å; H67-F137 PolarHBondContact O-N 2.86Å; H67-S184 WeakPolarHBondContact CA-OG 3.35Å; H67-S184 WeakPolarHBondContact CB-OG 3.35Å; H67-S184 PolarHBondContact ND1-OG 3.24Å
68	H	98.8	Very high	98.1	Very high	8 Å²	8	54.9 Å²	54.9	4%	0.037	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	165.1	156.8	67.3	-171.9	0	0	0	109.6	V70 Y102 F137 F141 S184 P185 G186	H68-V70 WeakPolarHBondContact NE2-CG2 2.67Å; H68-Y102 PolarHBondContact O-OH 2.9Å; H68-F137 WeakPolarHBondContact CA-O 3.47Å; H68-F141 HydrophobicContact CB-CD2 3.78Å; H68-F141 HydrophobicContact CB-CE2 4.44Å; H68-F141 PolarHBondContact ND1-N 2.82Å; H68-S184 PolarHBondContact N-OG 3.07Å; H68-S184 WeakPolarHBondContact NE2-CA 3.42Å; H68-P185 WeakPolarHBondContact CB-O 3.49Å; H68-P185 VanDerWaalsContact CG-C 3.45Å; H68-P185 PolarHBondContact ND1-O 3.25Å; H68-G186 PolarHBondContact CE1-N 2.84Å; H68-G186 PolarHBondContact ND1-N 3.16Å
69	T	98.7	Very high	98.2	Very high	17 Å²	17	53.6 Å²	53.6	10%	0.104	29%	0.289	C	S	.	.			trans	-96.5	-14.2	-177.1	59.7	0	0	0	0	113.4	T71 M87 Y102 L105 A136 F137 I138 G139	T69-T71 PolarHBondContact O-N 2.99Å; T69-T71 VanDerWaalsContact O-N 3.15Å; T69-T71 PolarHBondContact OG1-N 2.87Å; T69-T71 PolarHBondContact OG1-OG1 3.26Å; T69-M87 HydrophobicContact CG2-CE 3.52Å; T69-M87 HydrophobicContact CG2-SD 4.39Å; T69-Y102 HydrophobicContact CG2-CE2 4.35Å; T69-L105 HydrophobicContact CG2-CD2 3.99Å; T69-A136 HydrophobicContact CG2-CB 3.85Å; T69-F137 PolarHBondContact N-O 3.19Å; T69-F137 VanDerWaalsContact N-O 3.11Å; T69-I138 HydrophobicContact CG2-CG1 4.46Å; T69-I138 WeakPolarHBondContact OG1-CA 3.43Å; T69-G139 PolarHBondContact N-O 2.8Å; T69-G139 PolarHBondContact OG1-N 3.02Å; T69-G139 PolarHBondContact OG1-O 3.48Å
70	V	98.1	Very high	98.3	Very high	92 Å²	92	47.6 Å²	47.6	56%	0.558	27%	0.266	S	S	*	.			trans	57.2	22.6	-172.3	-154.2	0	0	0	0	112.4	H68 G139	H68-V70 WeakPolarHBondContact NE2-CG2 2.67Å; V70-G139 WeakPolarHBondContact CA-O 3.35Å; V70-G139 PolarHBondContact N-O 2.97Å
71	T	98.4	Very high	98.3	Very high	45 Å²	45	45 Å²	45	28%	0.276	25%	0.25	S	S	.	.	S	Bend	trans	-90.7	179.9	173.5	62.2	0	0	0	0	110.5	T69 I83 M87 G139	T69-T71 PolarHBondContact O-N 2.99Å; T69-T71 VanDerWaalsContact O-N 3.15Å; T69-T71 PolarHBondContact OG1-N 2.87Å; T69-T71 PolarHBondContact OG1-OG1 3.26Å; T71-I83 HydrophobicContact CG2-CG2 3.97Å; T71-M87 HydrophobicContact CG2-CE 3.84Å; T71-G139 CarbonylContact O-C 3.5Å; T71-G139 WeakPolarHBondContact O-CA 3.48Å
72	G	98.2	Very high	98.4	Very high	52 Å²	52	49.3 Å²	49.3	54%	0.536	27%	0.271	S	S	.	.			trans	-58.7	155.4	155.7	0	0	0	0	0	111.1	I83	G72-I83 VanDerWaalsContact O-CD1 3.28Å; G72-I83 WeakPolarHBondContact O-CD1 3.15Å
73	E	98.4	Very high	98.4	Very high	64 Å²	64	43.2 Å²	43.2	30%	0.299	25%	0.249	S	C	.	.			trans	-75.2	160	171.1	-66.9	178.4	-178.7	0	0	110.9	N108 K144	E73-N108 PolarHBondContact OE2-ND2 3.35Å; E73-K144 WeakPolarHBondContact OE1-CE 3.48Å; E73-K144 IonicContact OE1-NZ 2.62Å; E73-K144 PolarHBondContact OE1-NZ 2.82Å; E73-K144 IonicContact OE2-NZ 2.8Å; E73-K144 PolarHBondContact OE2-NZ 2.98Å
74	C	98.5	Very high	98.4	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.034	24%	0.237	C	C	.	.			trans	-133.9	146.3	172.5	72.8	0	0	0	0	111.3	K79 C80 I83 N108 I138	C74-K79 HydrophobicContact CB-CB 4.22Å; C74-K79 HydrophobicContact CB-CG 3.9Å; C74-C80 HydrophobicContact CB-CB 3.88Å; C74-C80 WeakPolarHBondContact CB-SG 3.07Å; C74-C80 WeakPolarHBondContact SG-CA 3.28Å; C74-C80 WeakPolarHBondContact SG-CB 3.32Å; C74-C80 CovalentContact SG-SG 2.04Å; C74-C80 PolarHBondContact SG-SG 3.3Å; C74-I83 HydrophobicContact CB-CD1 3.95Å; C74-N108 WeakPolarHBondContact O-CB 3.39Å; C74-N108 PolarHBondContact O-N 2.78Å; C74-I138 HydrophobicContact CB-CG2 4.5Å
75	S	97.3	Very high	98.4	Very high	86 Å²	86	44.1 Å²	44.1	60%	0.601	26%	0.255	S	S	*	.			trans	-137.4	126.6	163.8	-177.6	0	0	0	0	107.6
76	G	97	Very high	98.4	Very high	32 Å²	32	49 Å²	49	33%	0.33	28%	0.282	S	S	.	.	S	Bend	trans	95.2	143.3	-176.3	0	0	0	0	0	113.2	L78 K79 C80 D109	G76-L78 VanDerWaalsContact C-N 3.33Å; G76-L78 PolarHBondContact O-N 3.2Å; G76-K79 PolarHBondContact O-N 3.06Å; G76-C80 PolarHBondContact O-N 2.77Å; G76-C80 VanDerWaalsContact O-N 3.08Å; G76-D109 PolarHBondContact N-OD2 3.24Å
77	L	97.2	Very high	98.4	Very high	62 Å²	62	49.9 Å²	49.9	33%	0.325	29%	0.286	S	S	.	.	H	α-helix	trans	-52.6	-44.2	-170.7	177.4	60.2	0	0	0	113.7	W46 A81 Y113	W46-L77 HydrophobicContact CB-CD1 4.39Å; L77-A81 WeakPolarHBondContact O-CB 3.39Å; L77-A81 PolarHBondContact O-N 3.01Å; L77-Y113 HydrophobicContact CD1-CE1 3.9Å
78	L	98	Very high	98.4	Very high	155 Å²	155	49.7 Å²	49.7	81%	0.812	29%	0.285	S	S	*	.	H	α-helix	trans	-64.4	-44.6	-175.8	-66.4	179.1	0	0	0	111.9	G76 E82	G76-L78 VanDerWaalsContact C-N 3.33Å; G76-L78 PolarHBondContact O-N 3.2Å; L78-E82 PolarHBondContact O-N 3.17Å; L78-E82 VanDerWaalsContact O-N 3.08Å
79	K	98.5	Very high	98.4	Very high	102 Å²	102	50.7 Å²	50.7	44%	0.443	29%	0.294	S	S	.	.	H	α-helix	trans	-71.6	-41.1	-179.1	-172.5	62.4	-174	170.2	0	111.5	C74 G76 E82 I83	C74-K79 HydrophobicContact CB-CB 4.22Å; C74-K79 HydrophobicContact CB-CG 3.9Å; G76-K79 PolarHBondContact O-N 3.06Å; K79-E82 WeakPolarHBondContact CD-OE2 3.45Å; K79-E82 IonicContact NZ-OE2 2.59Å; K79-E82 PolarHBondContact NZ-OE2 3.02Å; K79-E82 PolarHBondContact O-N 3.43Å; K79-I83 PolarHBondContact O-N 3.04Å
80	C	98.7	Very high	98.4	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.6	-42.7	176.2	-65.3	0	0	0	0	111.5	C74 G76 E82 I83 L84 Y113	C74-C80 HydrophobicContact CB-CB 3.88Å; C74-C80 WeakPolarHBondContact CB-SG 3.07Å; C74-C80 WeakPolarHBondContact SG-CA 3.28Å; C74-C80 WeakPolarHBondContact SG-CB 3.32Å; C74-C80 CovalentContact SG-SG 2.04Å; C74-C80 PolarHBondContact SG-SG 3.3Å; G76-C80 PolarHBondContact O-N 2.77Å; G76-C80 VanDerWaalsContact O-N 3.08Å; C80-E82 VanDerWaalsContact C-N 3.35Å; C80-E82 PolarHBondContact O-N 3.08Å; C80-I83 PolarHBondContact O-N 3.27Å; C80-L84 WeakPolarHBondContact O-CB 3.43Å; C80-L84 WeakPolarHBondContact O-CD1 3.26Å; C80-L84 WeakPolarHBondContact O-CG 3.3Å; C80-L84 PolarHBondContact O-N 3.15Å; C80-Y113 HydrophobicContact CB-CE1 3.99Å; C80-Y113 HydrophobicContact CB-CE2 3.8Å; C80-Y113 VanDerWaalsContact CB-CZ 3.43Å; C80-Y113 VanDerWaalsContact CB-OH 3.32Å; C80-Y113 WeakPolarHBondContact CB-OH 3.45Å
81	A	98.7	Very high	98.4	Very high	9 Å²	9	52.4 Å²	52.4	7%	0.074	29%	0.291	C	S	.	.	H	α-helix	trans	-59.5	-42.6	176.4	0	0	0	0	0	112.4	W46 L77 I83 L84 Q85	W46-A81 HydrophobicContact CB-CB 4Å; W46-A81 WeakPolarHBondContact O-CB 3.42Å; L77-A81 WeakPolarHBondContact O-CB 3.39Å; L77-A81 PolarHBondContact O-N 3.01Å; A81-I83 PolarHBondContact O-N 3.37Å; A81-L84 PolarHBondContact O-N 2.84Å; A81-Q85 WeakPolarHBondContact O-CB 3.4Å; A81-Q85 WeakPolarHBondContact O-CG 3.4Å; A81-Q85 PolarHBondContact O-N 2.86Å
82	E	98.7	Very high	98.4	Very high	93 Å²	93	50.8 Å²	50.8	44%	0.435	28%	0.28	S	S	.	.	H	α-helix	trans	-57.8	-48.3	175.8	-178.2	-173	-152.5	0	0	111.8	L78 K79 C80 L84 Q85 N86	L78-E82 PolarHBondContact O-N 3.17Å; L78-E82 VanDerWaalsContact O-N 3.08Å; K79-E82 WeakPolarHBondContact CD-OE2 3.45Å; K79-E82 IonicContact NZ-OE2 2.59Å; K79-E82 PolarHBondContact NZ-OE2 3.02Å; K79-E82 PolarHBondContact O-N 3.43Å; C80-E82 VanDerWaalsContact C-N 3.35Å; C80-E82 PolarHBondContact O-N 3.08Å; E82-L84 PolarHBondContact O-N 3.28Å; E82-Q85 PolarHBondContact O-N 3.22Å; E82-N86 WeakPolarHBondContact O-CB 3.39Å; E82-N86 VanDerWaalsContact O-CG 3.3Å; E82-N86 PolarHBondContact O-N 2.81Å; E82-N86 VanDerWaalsContact O-N 3.07Å; E82-N86 PolarHBondContact O-ND2 2.85Å
83	I	98.8	Very high	98.4	Very high	19 Å²	19	53 Å²	53	10%	0.097	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-44.5	178.2	-64	-178.7	0	0	0	110.9	T71 G72 C74 K79 C80 A81 N86 M87 I138	T71-I83 HydrophobicContact CG2-CG2 3.97Å; G72-I83 VanDerWaalsContact O-CD1 3.28Å; G72-I83 WeakPolarHBondContact O-CD1 3.15Å; C74-I83 HydrophobicContact CB-CD1 3.95Å; K79-I83 PolarHBondContact O-N 3.04Å; C80-I83 PolarHBondContact O-N 3.27Å; A81-I83 PolarHBondContact O-N 3.37Å; I83-N86 PolarHBondContact O-N 3.17Å; I83-M87 HydrophobicContact CG2-CE 4.37Å; I83-M87 VanDerWaalsContact O-CB 3.27Å; I83-M87 WeakPolarHBondContact O-CB 3.37Å; I83-M87 PolarHBondContact O-N 2.86Å; I83-I138 HydrophobicContact CD1-CG2 4.06Å; I83-I138 HydrophobicContact CG2-CG2 3.89Å
84	L	98.9	Very high	98.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.8	-42.9	-179.9	-70	166.8	0	0	0	112.5	W46 C80 A81 E82 M87 Q88 I100 L105 Y113 I138	W46-L84 HydrophobicContact CB-CD1 4.26Å; W46-L84 HydrophobicContact CD2-CB 4.13Å; W46-L84 HydrophobicContact CD2-CD1 4.01Å; W46-L84 HydrophobicContact CE3-CB 3.64Å; W46-L84 HydrophobicContact CE3-CD1 4.36Å; W46-L84 HydrophobicContact CG-CD1 3.97Å; W46-L84 HydrophobicContact CH2-CB 4.43Å; W46-L84 HydrophobicContact CZ3-CB 3.81Å; C80-L84 WeakPolarHBondContact O-CB 3.43Å; C80-L84 WeakPolarHBondContact O-CD1 3.26Å; C80-L84 WeakPolarHBondContact O-CG 3.3Å; C80-L84 PolarHBondContact O-N 3.15Å; A81-L84 PolarHBondContact O-N 2.84Å; E82-L84 PolarHBondContact O-N 3.28Å; L84-M87 PolarHBondContact O-N 2.82Å; L84-Q88 WeakPolarHBondContact O-CB 3.41Å; L84-Q88 PolarHBondContact O-N 3.2Å; L84-I100 HydrophobicContact CD2-CD1 4.02Å; L84-L105 HydrophobicContact CD2-CB 3.91Å; L84-L105 HydrophobicContact CD2-CD1 3.84Å; L84-L105 HydrophobicContact CD2-CD2 3.67Å; L84-L105 HydrophobicContact CD2-CG 4.01Å; L84-Y113 HydrophobicContact CD1-CD1 3.41Å; L84-Y113 VanDerWaalsContact CD1-CD1 3.41Å; L84-Y113 HydrophobicContact CD1-CD2 4.24Å; L84-Y113 HydrophobicContact CD1-CE1 4.11Å; L84-Y113 HydrophobicContact CD1-CG 3.49Å; L84-Y113 VanDerWaalsContact CD1-CG 3.49Å; L84-I138 HydrophobicContact CD2-CD1 4.12Å; L84-I138 HydrophobicContact CG-CD1 4.29Å
85	Q	98.8	Very high	98.4	Very high	81 Å²	81	59 Å²	59	38%	0.379	31%	0.308	S	S	.	.	H	α-helix	trans	-64.5	-45	177.7	-72.3	169.1	15.2	0	0	111.4	W46 A81 E82 Q88 A89	W46-Q85 HydrophobicContact CE3-CG 4.23Å; W46-Q85 HydrophobicContact CZ3-CG 4.34Å; W46-Q85 PolarHBondContact O-NE2 2.8Å; A81-Q85 WeakPolarHBondContact O-CB 3.4Å; A81-Q85 WeakPolarHBondContact O-CG 3.4Å; A81-Q85 PolarHBondContact O-N 2.86Å; E82-Q85 PolarHBondContact O-N 3.22Å; Q85-Q88 PolarHBondContact O-N 3.17Å; Q85-A89 WeakPolarHBondContact O-CB 3.28Å; Q85-A89 PolarHBondContact O-N 2.88Å
86	N	98.7	Very high	98.4	Very high	103 Å²	103	61.6 Å²	61.6	55%	0.551	32%	0.315	S	S	*	.	H	α-helix	trans	-63.9	-42.9	177.2	-72.1	-26	0	0	0	111.6	E82 I83 A89 Y90	E82-N86 WeakPolarHBondContact O-CB 3.39Å; E82-N86 VanDerWaalsContact O-CG 3.3Å; E82-N86 PolarHBondContact O-N 2.81Å; E82-N86 VanDerWaalsContact O-N 3.07Å; E82-N86 PolarHBondContact O-ND2 2.85Å; I83-N86 PolarHBondContact O-N 3.17Å; N86-A89 PolarHBondContact O-N 2.94Å; N86-Y90 WeakPolarHBondContact O-CB 3.3Å; N86-Y90 PolarHBondContact O-N 2.91Å
87	M	98.8	Very high	98.5	Very high	17 Å²	17	63 Å²	63	8%	0.084	31%	0.313	C	S	.	.	H	α-helix	trans	-65.4	-44.6	177.1	-177.3	-173.1	-60.2	0	0	112.1	T69 T71 I83 L84 A89 Y90 H91 I100 Y102 L105	T69-M87 HydrophobicContact CG2-CE 3.52Å; T69-M87 HydrophobicContact CG2-SD 4.39Å; T71-M87 HydrophobicContact CG2-CE 3.84Å; I83-M87 HydrophobicContact CG2-CE 4.37Å; I83-M87 VanDerWaalsContact O-CB 3.27Å; I83-M87 WeakPolarHBondContact O-CB 3.37Å; I83-M87 PolarHBondContact O-N 2.86Å; L84-M87 PolarHBondContact O-N 2.82Å; M87-A89 VanDerWaalsContact C-N 3.33Å; M87-A89 PolarHBondContact O-N 3.44Å; M87-Y90 PolarHBondContact O-N 3.45Å; M87-H91 WeakPolarHBondContact CG-CE1 3.48Å; M87-H91 WeakPolarHBondContact O-CB 3.19Å; M87-H91 PolarHBondContact O-N 3.49Å; M87-H91 PolarHBondContact O-ND1 2.88Å; M87-I100 HydrophobicContact CB-CD1 4.26Å; M87-I100 HydrophobicContact CG-CD1 4Å; M87-I100 HydrophobicContact CG-CG1 4.14Å; M87-I100 HydrophobicContact SD-CD1 3.61Å; M87-I100 HydrophobicContact SD-CG1 3.92Å; M87-Y102 HydrophobicContact SD-CD2 4.25Å; M87-Y102 HydrophobicContact SD-CE2 4.07Å; M87-L105 HydrophobicContact CE-CD2 4.25Å; M87-L105 HydrophobicContact SD-CD2 3.76Å
88	Q	98.8	Very high	98.6	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.009	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-44.3	176	-173	-173	26.6	0	0	111	W46 G48 K49 L84 Q85 H91 Q92 D99 I100	W46-Q88 HydrophobicContact CH2-CB 4.44Å; G48-Q88 VanDerWaalsContact CA-OE1 3.3Å; K49-Q88 PolarHBondContact O-NE2 3.17Å; L84-Q88 WeakPolarHBondContact O-CB 3.41Å; L84-Q88 PolarHBondContact O-N 3.2Å; Q85-Q88 PolarHBondContact O-N 3.17Å; Q88-H91 PolarHBondContact O-N 3.15Å; Q88-Q92 HydrophobicContact CG-CG 4.39Å; Q88-Q92 WeakPolarHBondContact O-CB 3.46Å; Q88-Q92 WeakPolarHBondContact O-CG 3.45Å; Q88-Q92 PolarHBondContact O-N 2.87Å; Q88-D99 PolarHBondContact NE2-OD1 3Å; Q88-I100 HydrophobicContact CB-CB 4.2Å; Q88-I100 HydrophobicContact CG-CB 4.24Å
89	A	98.7	Very high	98.6	Very high	28 Å²	28	56 Å²	56	23%	0.231	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-44.7	177.4	0	0	0	0	0	111.7	Q85 N86 M87 Q92 N93	Q85-A89 WeakPolarHBondContact O-CB 3.28Å; Q85-A89 PolarHBondContact O-N 2.88Å; N86-A89 PolarHBondContact O-N 2.94Å; M87-A89 VanDerWaalsContact C-N 3.33Å; M87-A89 PolarHBondContact O-N 3.44Å; A89-Q92 PolarHBondContact O-N 2.88Å; A89-N93 WeakPolarHBondContact O-CB 3.32Å; A89-N93 PolarHBondContact O-N 2.74Å; A89-N93 PolarHBondContact O-ND2 2.62Å
90	Y	98.7	Very high	98.6	Very high	128 Å²	128	51.2 Å²	51.2	50%	0.502	26%	0.256	S	S	.	.	H	α-helix	trans	-60.1	-48.2	174.9	176.2	-107.8	0	0	0	111.9	N86 M87 Q92 E94 L95	N86-Y90 WeakPolarHBondContact O-CB 3.3Å; N86-Y90 PolarHBondContact O-N 2.91Å; M87-Y90 PolarHBondContact O-N 3.45Å; Y90-Q92 PolarHBondContact O-N 3.15Å; Y90-E94 HydrophobicContact CD2-CB 3.75Å; Y90-E94 HydrophobicContact CD2-CG 3.61Å; Y90-E94 HydrophobicContact CE2-CB 3.74Å; Y90-E94 HydrophobicContact CE2-CG 3.96Å; Y90-E94 WeakPolarHBondContact O-CA 3.39Å; Y90-E94 VanDerWaalsContact O-CB 3.32Å; Y90-E94 WeakPolarHBondContact O-CB 3.32Å; Y90-E94 PolarHBondContact O-N 2.81Å; Y90-L95 HydrophobicContact CD1-CD1 4.28Å; Y90-L95 HydrophobicContact CD1-CG 4.4Å; Y90-L95 HydrophobicContact CE1-CD1 3.76Å; Y90-L95 HydrophobicContact CE1-CD2 4.18Å; Y90-L95 HydrophobicContact CE1-CG 3.91Å; Y90-L95 PolarHBondContact O-N 3.1Å
91	H	98.7	Very high	98.6	Very high	18 Å²	18	51.5 Å²	51.5	8%	0.083	26%	0.257	C	S	.	.	H	α-helix	trans	-61.8	-42.2	178.8	-68.7	162.5	0	0	0	113	M87 Q88 L95 D96 F97 S101	M87-H91 WeakPolarHBondContact CG-CE1 3.48Å; M87-H91 WeakPolarHBondContact O-CB 3.19Å; M87-H91 PolarHBondContact O-N 3.49Å; M87-H91 PolarHBondContact O-ND1 2.88Å; Q88-H91 PolarHBondContact O-N 3.15Å; H91-L95 CarbonylContact O-C 3.52Å; H91-L95 WeakPolarHBondContact O-CB 3.5Å; H91-L95 PolarHBondContact O-N 3.22Å; H91-D96 PolarHBondContact O-N 3.35Å; H91-F97 HydrophobicContact CB-CB 4.31Å; H91-F97 HydrophobicContact CB-CD2 3.97Å; H91-F97 WeakPolarHBondContact O-CB 3.22Å; H91-F97 PolarHBondContact O-N 3.32Å; H91-S101 PolarHBondContact CE1-OG 2.03Å; H91-S101 PolarHBondContact ND1-N 2.89Å; H91-S101 VanDerWaalsContact ND1-N 3.15Å
92	Q	98.5	Very high	98.6	Very high	11 Å²	11	52.4 Å²	52.4	5%	0.051	26%	0.259	C	S	.	.	H	α-helix	trans	-76.1	-39.4	-179	-72.8	-175.8	-41.6	0	0	113.3	P50 L52 Q88 A89 Y90 F97 N98	P50-Q92 PolarHBondContact O-NE2 3.36Å; L52-Q92 HydrophobicContact CD1-CB 4.28Å; L52-Q92 HydrophobicContact CD1-CG 4.3Å; Q88-Q92 HydrophobicContact CG-CG 4.39Å; Q88-Q92 WeakPolarHBondContact O-CB 3.46Å; Q88-Q92 WeakPolarHBondContact O-CG 3.45Å; Q88-Q92 PolarHBondContact O-N 2.87Å; A89-Q92 PolarHBondContact O-N 2.88Å; Y90-Q92 PolarHBondContact O-N 3.15Å; Q92-F97 WeakPolarHBondContact CA-O 3.01Å; Q92-N98 PolarHBondContact NE2-O 3.43Å
93	N	98.4	Very high	98.6	Very high	98 Å²	98	48 Å²	48	52%	0.524	24%	0.239	S	C	.	.	H	α-helix	trans	-92.6	-34.6	-171.4	-60.1	-17.9	0	0	0	113.4	A89	A89-N93 WeakPolarHBondContact O-CB 3.32Å; A89-N93 PolarHBondContact O-N 2.74Å; A89-N93 PolarHBondContact O-ND2 2.62Å
94	E	98.4	Very high	98.6	Very high	134 Å²	134	47.1 Å²	47.1	63%	0.626	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-26.8	-172.7	-51.6	-59.7	145	0	0	112.6	Y90	Y90-E94 HydrophobicContact CD2-CB 3.75Å; Y90-E94 HydrophobicContact CD2-CG 3.61Å; Y90-E94 HydrophobicContact CE2-CB 3.74Å; Y90-E94 HydrophobicContact CE2-CG 3.96Å; Y90-E94 WeakPolarHBondContact O-CA 3.39Å; Y90-E94 VanDerWaalsContact O-CB 3.32Å; Y90-E94 WeakPolarHBondContact O-CB 3.32Å; Y90-E94 PolarHBondContact O-N 2.81Å
95	L	98.2	Very high	98.6	Very high	61 Å²	61	47.1 Å²	47.1	32%	0.319	23%	0.234	S	C	.	.	S	Bend	trans	-107.5	0.7	179.5	-53.8	-172.4	0	0	0	113.7	Y90 H91 F97	Y90-L95 HydrophobicContact CD1-CD1 4.28Å; Y90-L95 HydrophobicContact CD1-CG 4.4Å; Y90-L95 HydrophobicContact CE1-CD1 3.76Å; Y90-L95 HydrophobicContact CE1-CD2 4.18Å; Y90-L95 HydrophobicContact CE1-CG 3.91Å; Y90-L95 PolarHBondContact O-N 3.1Å; H91-L95 CarbonylContact O-C 3.52Å; H91-L95 WeakPolarHBondContact O-CB 3.5Å; H91-L95 PolarHBondContact O-N 3.22Å; L95-F97 HydrophobicContact CB-CD1 3.92Å; L95-F97 HydrophobicContact CB-CD2 4.19Å; L95-F97 HydrophobicContact CB-CE1 3.81Å; L95-F97 HydrophobicContact CB-CE2 4.1Å; L95-F97 HydrophobicContact CB-CG 4.11Å; L95-F97 HydrophobicContact CB-CZ 3.9Å; L95-F97 HydrophobicContact CD1-CD2 4.28Å; L95-F97 HydrophobicContact CD1-CE2 3.67Å; L95-F97 HydrophobicContact CD1-CZ 3.83Å; L95-F97 WeakPolarHBondContact O-CD1 3.04Å; L95-F97 WeakPolarHBondContact O-CE1 3.05Å; L95-F97 PolarHBondContact O-N 3.47Å; L95-F97 VanDerWaalsContact O-N 3.15Å
96	D	97.8	Very high	98.6	Very high	140 Å²	140	43.3 Å²	43.3	75%	0.749	22%	0.216	S	C	*	.			trans	53.5	30.5	-177.3	-62.5	-48.7	0	0	0	113.9	H91	H91-D96 PolarHBondContact O-N 3.35Å
97	F	98.5	Very high	98.6	Very high	63 Å²	63	38.4 Å²	38.4	28%	0.276	19%	0.19	S	C	.	.			trans	-79.8	148.2	174.4	-62.5	-8.3	0	0	0	110.2	H91 Q92 L95 D99 A123	H91-F97 HydrophobicContact CB-CB 4.31Å; H91-F97 HydrophobicContact CB-CD2 3.97Å; H91-F97 WeakPolarHBondContact O-CB 3.22Å; H91-F97 PolarHBondContact O-N 3.32Å; Q92-F97 WeakPolarHBondContact CA-O 3.01Å; L95-F97 HydrophobicContact CB-CD1 3.92Å; L95-F97 HydrophobicContact CB-CD2 4.19Å; L95-F97 HydrophobicContact CB-CE1 3.81Å; L95-F97 HydrophobicContact CB-CE2 4.1Å; L95-F97 HydrophobicContact CB-CG 4.11Å; L95-F97 HydrophobicContact CB-CZ 3.9Å; L95-F97 HydrophobicContact CD1-CD2 4.28Å; L95-F97 HydrophobicContact CD1-CE2 3.67Å; L95-F97 HydrophobicContact CD1-CZ 3.83Å; L95-F97 WeakPolarHBondContact O-CD1 3.04Å; L95-F97 WeakPolarHBondContact O-CE1 3.05Å; L95-F97 PolarHBondContact O-N 3.47Å; L95-F97 VanDerWaalsContact O-N 3.15Å; F97-D99 WeakPolarHBondContact CB-O 3.42Å; F97-D99 PolarHBondContact O-N 3.14Å; F97-A123 HydrophobicContact CD1-CB 4.26Å; F97-A123 HydrophobicContact CD2-CB 3.64Å; F97-A123 HydrophobicContact CE1-CB 4.4Å; F97-A123 HydrophobicContact CE2-CB 3.8Å; F97-A123 HydrophobicContact CG-CB 3.9Å; F97-A123 HydrophobicContact CZ-CB 4.18Å
98	N	98.2	Very high	98.6	Very high	59 Å²	59	38.9 Å²	38.9	32%	0.316	19%	0.193	S	C	.	.	S	Bend	trans	-64.6	-27.4	176.4	-72.5	-31.9	0	0	0	112.7	S51 L52 G53 H55 Q92	S51-N98 CarbonylContact C-O 3.56Å; S51-N98 WeakPolarHBondContact CA-O 3.29Å; S51-N98 PolarHBondContact OG-O 2.86Å; L52-N98 PolarHBondContact N-O 3.06Å; G53-N98 WeakPolarHBondContact O-CB 3.24Å; H55-N98 PolarHBondContact CD2-ND2 3.37Å; H55-N98 PolarHBondContact NE2-ND2 3.07Å; Q92-N98 PolarHBondContact NE2-O 3.43Å
99	D	98.4	Very high	98.5	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.059	20%	0.202	C	C	.	.	S	Bend	trans	-155.9	-174.5	-177.3	-154	-13	0	0	0	110.9	K43 Q88 F97 T116	K43-D99 WeakPolarHBondContact CE-OD1 3.43Å; K43-D99 WeakPolarHBondContact CE-OD2 3.35Å; K43-D99 IonicContact NZ-OD1 2.74Å; K43-D99 PolarHBondContact NZ-OD1 2.85Å; K43-D99 IonicContact NZ-OD2 3.46Å; K43-D99 PolarHBondContact NZ-OD2 3.38Å; Q88-D99 PolarHBondContact NE2-OD1 3Å; F97-D99 WeakPolarHBondContact CB-O 3.42Å; F97-D99 PolarHBondContact O-N 3.14Å; D99-T116 HydrophobicContact CB-CG2 3.98Å
100	I	98.7	Very high	98.4	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.2	C	C	.	.			trans	-55.2	136.7	164.7	-166	163.4	0	0	0	109.8	L84 M87 Q88 Y102 L105 T116	L84-I100 HydrophobicContact CD2-CD1 4.02Å; M87-I100 HydrophobicContact CB-CD1 4.26Å; M87-I100 HydrophobicContact CG-CD1 4Å; M87-I100 HydrophobicContact CG-CG1 4.14Å; M87-I100 HydrophobicContact SD-CD1 3.61Å; M87-I100 HydrophobicContact SD-CG1 3.92Å; Q88-I100 HydrophobicContact CB-CB 4.2Å; Q88-I100 HydrophobicContact CG-CB 4.24Å; I100-Y102 VanDerWaalsContact C-N 3.29Å; I100-Y102 PolarHBondContact O-N 2.89Å; I100-L105 HydrophobicContact CD1-CD1 3.76Å; I100-L105 HydrophobicContact CD1-CD2 4.04Å; I100-L105 HydrophobicContact CG1-CD1 4.34Å; I100-T116 WeakPolarHBondContact O-CG2 3.27Å
101	S	98.2	Very high	98.4	Very high	5 Å²	5	36 Å²	36	4%	0.035	19%	0.186	C	C	.	.	S	Bend	trans	-65.4	-26.5	-167.3	56.8	0	0	0	0	114.7	H91 G122 A123 H124	H91-S101 PolarHBondContact CE1-OG 2.03Å; H91-S101 PolarHBondContact ND1-N 2.89Å; H91-S101 VanDerWaalsContact ND1-N 3.15Å; S101-G122 CarbonylContact O-C 3.52Å; S101-G122 WeakPolarHBondContact O-CA 3.36Å; S101-A123 PolarHBondContact O-N 3.42Å; S101-H124 WeakPolarHBondContact O-CB 3.45Å; S101-H124 PolarHBondContact O-N 2.93Å
102	Y	98.9	Very high	98.4	Very high	29 Å²	29	35.1 Å²	35.1	11%	0.114	18%	0.182	C	C	.	.			trans	-96.7	149.5	-175.8	-49.3	-75.5	0	0	0	112.3	H67 H68 T69 M87 I100 L105 G115 T116 H124 A136	H67-Y102 HydrophobicContact CB-CD1 4.2Å; H67-Y102 HydrophobicContact CB-CE1 3.57Å; H67-Y102 AromaticContact CD2-CE1 3.87Å; H67-Y102 AromaticContact CG-CE1 3.59Å; H68-Y102 PolarHBondContact O-OH 2.9Å; T69-Y102 HydrophobicContact CG2-CE2 4.35Å; M87-Y102 HydrophobicContact SD-CD2 4.25Å; M87-Y102 HydrophobicContact SD-CE2 4.07Å; I100-Y102 VanDerWaalsContact C-N 3.29Å; I100-Y102 PolarHBondContact O-N 2.89Å; Y102-L105 HydrophobicContact CD2-CD2 3.85Å; Y102-L105 HydrophobicContact CD2-CG 4.24Å; Y102-G115 WeakPolarHBondContact O-CA 3.33Å; Y102-T116 PolarHBondContact O-N 3.34Å; Y102-T116 VanDerWaalsContact O-N 3.1Å; Y102-H124 HydrophobicContact CD1-CB 3.5Å; Y102-H124 VanDerWaalsContact CD1-CB 3.5Å; Y102-H124 HydrophobicContact CE1-CB 3.78Å; Y102-H124 HydrophobicContact CG-CB 4.45Å; Y102-A136 HydrophobicContact CD1-CB 3.59Å; Y102-A136 HydrophobicContact CD2-CB 3.6Å; Y102-A136 HydrophobicContact CE1-CB 3.76Å; Y102-A136 HydrophobicContact CE2-CB 3.76Å; Y102-A136 HydrophobicContact CG-CB 3.5Å; Y102-A136 VanDerWaalsContact CG-CB 3.5Å
103	N	98.8	Very high	98.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-70.3	-43.1	173.8	-66	82.2	0	0	0	111.5	G115 T116 G117 L120 T133 G134	N103-G115 VanDerWaalsContact O-CA 3.32Å; N103-G115 WeakPolarHBondContact O-CA 3.44Å; N103-G115 PolarHBondContact O-N 3.34Å; N103-T116 WeakPolarHBondContact CA-OG1 3.15Å; N103-T116 PolarHBondContact ND2-OG1 3.42Å; N103-T116 PolarHBondContact O-N 3.04Å; N103-G117 PolarHBondContact ND2-O 3.32Å; N103-G117 PolarHBondContact O-N 3.16Å; N103-L120 PolarHBondContact ND2-O 2.93Å; N103-T133 HydrophobicContact CB-CG2 3.62Å; N103-G134 WeakPolarHBondContact CB-O 3.33Å; N103-G134 PolarHBondContact N-O 2.88Å; N103-G134 PolarHBondContact OD1-N 2.95Å
104	F	99	Very high	98.5	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	148.2	177.9	-62.8	-77.3	0	0	0	110.7	I40 V112 Y113 W118 T133 G134 I135 A136 L157	I40-F104 HydrophobicContact CD1-CE1 4.12Å; I40-F104 HydrophobicContact CG2-CE1 4.33Å; F104-V112 HydrophobicContact CB-CG1 4.04Å; F104-V112 HydrophobicContact CD1-CG1 3.63Å; F104-V112 HydrophobicContact CE1-CG1 4.5Å; F104-V112 HydrophobicContact CG-CG1 4.12Å; F104-Y113 WeakPolarHBondContact CA-O 3.47Å; F104-W118 HydrophobicContact CD2-CZ2 4.48Å; F104-W118 AromaticContact CE2-CD2 3.41Å; F104-W118 HydrophobicContact CE2-CD2 3.41Å; F104-W118 VanDerWaalsContact CE2-CD2 3.41Å; F104-W118 AromaticContact CE2-CE2 3.45Å; F104-W118 VanDerWaalsContact CE2-CE2 3.45Å; F104-W118 AromaticContact CE2-CE3 3.68Å; F104-W118 HydrophobicContact CE2-CE3 3.68Å; F104-W118 AromaticContact CE2-CG 3.92Å; F104-W118 HydrophobicContact CE2-CG 3.92Å; F104-W118 AromaticContact CE2-CH2 3.99Å; F104-W118 HydrophobicContact CE2-CH2 3.99Å; F104-W118 AromaticContact CE2-CZ2 3.76Å; F104-W118 HydrophobicContact CE2-CZ2 3.76Å; F104-W118 AromaticContact CE2-CZ3 3.96Å; F104-W118 HydrophobicContact CE2-CZ3 3.96Å; F104-W118 AromaticContact CE2-NE1 3.95Å; F104-W118 HydrophobicContact CZ-CB 4.42Å; F104-W118 AromaticContact CZ-CD1 3.55Å; F104-W118 AromaticContact CZ-CD2 3.56Å; F104-W118 HydrophobicContact CZ-CD2 3.56Å; F104-W118 AromaticContact CZ-CE2 3.48Å; F104-W118 VanDerWaalsContact CZ-CE2 3.48Å; F104-W118 HydrophobicContact CZ-CE3 4.3Å; F104-W118 AromaticContact CZ-CG 3.59Å; F104-W118 HydrophobicContact CZ-CG 3.59Å; F104-W118 HydrophobicContact CZ-CZ2 4.14Å; F104-W118 AromaticContact CZ-NE1 3.45Å; F104-T133 HydrophobicContact CD2-CG2 3.94Å; F104-T133 HydrophobicContact CE2-CG2 4.16Å; F104-G134 PolarHBondContact N-O 2.85Å; F104-G134 VanDerWaalsContact N-O 3.16Å; F104-I135 HydrophobicContact CB-CG1 4.43Å; F104-I135 WeakPolarHBondContact O-CA 3.49Å; F104-A136 PolarHBondContact O-N 3.48Å; F104-L157 HydrophobicContact CB-CD2 3.89Å; F104-L157 HydrophobicContact CD1-CD2 4.33Å; F104-L157 HydrophobicContact CD2-CD2 3.95Å; F104-L157 HydrophobicContact CG-CD2 3.78Å
105	L	98.9	Very high	98.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	146.2	172.7	-59.8	95.9	0	0	0	110	T69 L84 M87 I100 Y102 Y113 A136 I138	T69-L105 HydrophobicContact CG2-CD2 3.99Å; L84-L105 HydrophobicContact CD2-CB 3.91Å; L84-L105 HydrophobicContact CD2-CD1 3.84Å; L84-L105 HydrophobicContact CD2-CD2 3.67Å; L84-L105 HydrophobicContact CD2-CG 4.01Å; M87-L105 HydrophobicContact CE-CD2 4.25Å; M87-L105 HydrophobicContact SD-CD2 3.76Å; I100-L105 HydrophobicContact CD1-CD1 3.76Å; I100-L105 HydrophobicContact CD1-CD2 4.04Å; I100-L105 HydrophobicContact CG1-CD1 4.34Å; Y102-L105 HydrophobicContact CD2-CD2 3.85Å; Y102-L105 HydrophobicContact CD2-CG 4.24Å; L105-Y113 PolarHBondContact N-O 3.38Å; L105-Y113 PolarHBondContact O-N 3.09Å; L105-A136 CarbonylContact C-O 3.56Å; L105-A136 WeakPolarHBondContact CA-O 3.47Å; L105-A136 HydrophobicContact CD2-CB 4.27Å; L105-A136 HydrophobicContact CG-CB 4.32Å; L105-I138 HydrophobicContact CB-CD1 4.12Å; L105-I138 HydrophobicContact CB-CG1 4.02Å; L105-I138 HydrophobicContact CD2-CG1 4.37Å
106	I	98.9	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	121.6	-175.3	-54.1	178.6	0	0	0	109.3	I111 V112 I135 A136 F137 I138 A150 A153 A154	I106-I111 WeakPolarHBondContact CA-O 3.49Å; I106-V112 HydrophobicContact CD1-CG2 4.36Å; I106-V112 HydrophobicContact CG1-CG2 4.27Å; I106-I135 HydrophobicContact CD1-CG2 3.76Å; I106-I135 HydrophobicContact CG1-CG2 4.21Å; I106-A136 PolarHBondContact N-O 2.88Å; I106-F137 HydrophobicContact CB-CD1 4.28Å; I106-F137 HydrophobicContact CB-CE1 4.45Å; I106-F137 HydrophobicContact CG2-CD1 4.5Å; I106-F137 HydrophobicContact CG2-CE1 4.42Å; I106-I138 PolarHBondContact O-N 3.29Å; I106-A150 HydrophobicContact CG2-CB 3.82Å; I106-A153 HydrophobicContact CG2-CB 4.11Å; I106-A154 HydrophobicContact CD1-CB 3.55Å
107	G	98.6	Very high	98.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.			trans	-85.9	164.7	175.3	0	0	0	0	0	112.1	D109 G110 I111 A150	G107-D109 WeakPolarHBondContact CA-OD1 3.31Å; G107-D109 PolarHBondContact O-N 3.24Å; G107-D109 VanDerWaalsContact O-N 3.08Å; G107-G110 PolarHBondContact O-N 3.47Å; G107-I111 PolarHBondContact N-O 2.87Å; G107-A150 WeakPolarHBondContact O-CB 3.39Å
108	N	98.5	Very high	98.5	Very high	28 Å²	28	16.5 Å²	16.5	15%	0.15	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-2.7	174.3	-80.3	-18.2	0	0	0	113	E73 C74 S147	E73-N108 PolarHBondContact OE2-ND2 3.35Å; C74-N108 WeakPolarHBondContact O-CB 3.39Å; C74-N108 PolarHBondContact O-N 2.78Å; N108-S147 WeakPolarHBondContact CA-OG 3.46Å; N108-S147 PolarHBondContact O-OG 3.05Å; N108-S147 PolarHBondContact OD1-N 2.77Å
109	D	97.3	Very high	98.2	Very high	35 Å²	35	13.8 Å²	13.8	19%	0.187	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-1.1	166.6	58.3	2.7	0	0	0	114.1	G76 G107 I111 Y113	G76-D109 PolarHBondContact N-OD2 3.24Å; G107-D109 WeakPolarHBondContact CA-OD1 3.31Å; G107-D109 PolarHBondContact O-N 3.24Å; G107-D109 VanDerWaalsContact O-N 3.08Å; D109-I111 HydrophobicContact CB-CG1 4.45Å; D109-I111 PolarHBondContact O-N 3.01Å; D109-I111 WeakPolarHBondContact OD1-CB 3.39Å; D109-I111 PolarHBondContact OD1-N 2.81Å; D109-I111 VanDerWaalsContact OD1-N 3.15Å; D109-Y113 PolarHBondContact OD2-OH 3.49Å
110	G	97.9	Very high	98.2	Very high	20 Å²	20	14.8 Å²	14.8	21%	0.206	8%	0.079	C	C	.	.	S	Bend	trans	71.2	17.6	-178.8	0	0	0	0	0	113.5	G107 A149 A153	G107-G110 PolarHBondContact O-N 3.47Å; G110-A149 WeakPolarHBondContact CA-O 3.35Å; G110-A153 VanDerWaalsContact O-CB 3.27Å; G110-A153 WeakPolarHBondContact O-CB 3.46Å
111	I	98.3	Very high	98.2	Very high	41 Å²	41	20.7 Å²	20.7	21%	0.21	10%	0.101	C	C	.	.			trans	-98.1	134.1	178.1	-64.5	-179.8	0	0	0	109.6	K41 I106 G107 D109 Y113	K41-I111 HydrophobicContact CB-CG2 4.15Å; K41-I111 HydrophobicContact CG-CG2 3.34Å; I106-I111 WeakPolarHBondContact CA-O 3.49Å; G107-I111 PolarHBondContact N-O 2.87Å; D109-I111 HydrophobicContact CB-CG1 4.45Å; D109-I111 PolarHBondContact O-N 3.01Å; D109-I111 WeakPolarHBondContact OD1-CB 3.39Å; D109-I111 PolarHBondContact OD1-N 2.81Å; D109-I111 VanDerWaalsContact OD1-N 3.15Å; I111-Y113 HydrophobicContact CB-CD2 4.5Å; I111-Y113 HydrophobicContact CB-CE2 3.79Å; I111-Y113 HydrophobicContact CG2-CD2 4.18Å; I111-Y113 HydrophobicContact CG2-CE1 4.12Å; I111-Y113 HydrophobicContact CG2-CE2 3.76Å; I111-Y113 VanDerWaalsContact O-CD2 3.3Å; I111-Y113 WeakPolarHBondContact O-CD2 3.48Å; I111-Y113 WeakPolarHBondContact O-CE2 3.32Å
112	V	98.8	Very high	98.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	126	168.7	-177.3	0	0	0	0	108.8	P38 I40 K41 F104 I106 A153 L157	P38-V112 HydrophobicContact CB-CG2 4.04Å; P38-V112 HydrophobicContact CG-CG2 3.94Å; I40-V112 CarbonylContact C-O 3.47Å; I40-V112 WeakPolarHBondContact CA-O 3.42Å; I40-V112 HydrophobicContact CG1-CB 4.18Å; I40-V112 HydrophobicContact CG1-CG1 4.12Å; I40-V112 HydrophobicContact CG2-CG1 4.41Å; K41-V112 PolarHBondContact N-O 2.88Å; F104-V112 HydrophobicContact CB-CG1 4.04Å; F104-V112 HydrophobicContact CD1-CG1 3.63Å; F104-V112 HydrophobicContact CE1-CG1 4.5Å; F104-V112 HydrophobicContact CG-CG1 4.12Å; I106-V112 HydrophobicContact CD1-CG2 4.36Å; I106-V112 HydrophobicContact CG1-CG2 4.27Å; V112-A153 HydrophobicContact CG2-CB 4.2Å; V112-L157 HydrophobicContact CG1-CD1 4.22Å; V112-L157 HydrophobicContact CG1-CD2 3.81Å; V112-L157 HydrophobicContact CG2-CB 4.35Å; V112-L157 HydrophobicContact CG2-CD2 4.3Å
113	Y	98.9	Very high	98.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.6	175.5	-63.6	-90.5	0	0	0	109.4	K41 W46 L77 C80 L84 F104 L105 D109 I111 G115 I138	K41-Y113 HydrophobicContact CB-CD1 3.78Å; K41-Y113 HydrophobicContact CB-CE1 4.09Å; K41-Y113 HydrophobicContact CG-CD1 4.26Å; K41-Y113 HydrophobicContact CG-CE1 4.08Å; W46-Y113 HydrophobicContact CB-CD1 4.21Å; W46-Y113 AromaticContact CD1-CD1 3.91Å; W46-Y113 HydrophobicContact CG-CD1 4.25Å; L77-Y113 HydrophobicContact CD1-CE1 3.9Å; C80-Y113 HydrophobicContact CB-CE1 3.99Å; C80-Y113 HydrophobicContact CB-CE2 3.8Å; C80-Y113 VanDerWaalsContact CB-CZ 3.43Å; C80-Y113 VanDerWaalsContact CB-OH 3.32Å; C80-Y113 WeakPolarHBondContact CB-OH 3.45Å; L84-Y113 HydrophobicContact CD1-CD1 3.41Å; L84-Y113 VanDerWaalsContact CD1-CD1 3.41Å; L84-Y113 HydrophobicContact CD1-CD2 4.24Å; L84-Y113 HydrophobicContact CD1-CE1 4.11Å; L84-Y113 HydrophobicContact CD1-CG 3.49Å; L84-Y113 VanDerWaalsContact CD1-CG 3.49Å; F104-Y113 WeakPolarHBondContact CA-O 3.47Å; L105-Y113 PolarHBondContact N-O 3.38Å; L105-Y113 PolarHBondContact O-N 3.09Å; D109-Y113 PolarHBondContact OD2-OH 3.49Å; I111-Y113 HydrophobicContact CB-CD2 4.5Å; I111-Y113 HydrophobicContact CB-CE2 3.79Å; I111-Y113 HydrophobicContact CG2-CD2 4.18Å; I111-Y113 HydrophobicContact CG2-CE1 4.12Å; I111-Y113 HydrophobicContact CG2-CE2 3.76Å; I111-Y113 VanDerWaalsContact O-CD2 3.3Å; I111-Y113 WeakPolarHBondContact O-CD2 3.48Å; I111-Y113 WeakPolarHBondContact O-CE2 3.32Å; Y113-G115 PolarHBondContact O-N 2.91Å; Y113-I138 HydrophobicContact CD2-CD1 4.26Å
114	E	98.8	Very high	98.1	Very high	54 Å²	54	21.7 Å²	21.7	25%	0.252	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	118.8	176.5	179.9	-178.4	-124	0	0	110	I40 K41 L42 K43 W46	I40-E114 HydrophobicContact CG2-CB 3.95Å; K41-E114 WeakPolarHBondContact O-CB 3.28Å; K41-E114 PolarHBondContact O-N 2.9Å; L42-E114 VanDerWaalsContact CA-OE2 3.28Å; L42-E114 WeakPolarHBondContact CA-OE2 3.37Å; K43-E114 WeakPolarHBondContact CB-OE2 3.46Å; K43-E114 PolarHBondContact N-OE2 2.82Å; W46-E114 VanDerWaalsContact CZ2-O 3.22Å; W46-E114 WeakPolarHBondContact CZ2-O 3.37Å; W46-E114 PolarHBondContact NE1-O 2.91Å
115	G	98.8	Very high	98.1	Very high	2 Å²	2	21.7 Å²	21.7	2%	0.021	11%	0.113	C	C	.	.	S	Bend	trans	-89.4	-106.9	168.5	0	0	0	0	0	110.6	K43 Y102 N103 Y113 G117	K43-G115 PolarHBondContact NZ-O 2.91Å; Y102-G115 WeakPolarHBondContact O-CA 3.33Å; N103-G115 VanDerWaalsContact O-CA 3.32Å; N103-G115 WeakPolarHBondContact O-CA 3.44Å; N103-G115 PolarHBondContact O-N 3.34Å; Y113-G115 PolarHBondContact O-N 2.91Å; G115-G117 VanDerWaalsContact C-N 3.29Å
116	T	98.3	Very high	98	Very high	16 Å²	16	31.2 Å²	31.2	10%	0.098	15%	0.15	C	C	.	.	S	Bend	trans	-74.3	-22	164.7	62.3	0	0	0	0	112.5	D99 I100 Y102 N103 L120	D99-T116 HydrophobicContact CB-CG2 3.98Å; I100-T116 WeakPolarHBondContact O-CG2 3.27Å; Y102-T116 PolarHBondContact O-N 3.34Å; Y102-T116 VanDerWaalsContact O-N 3.1Å; N103-T116 WeakPolarHBondContact CA-OG1 3.15Å; N103-T116 PolarHBondContact ND2-OG1 3.42Å; N103-T116 PolarHBondContact O-N 3.04Å; T116-L120 VanDerWaalsContact O-CD1 3.24Å; T116-L120 WeakPolarHBondContact O-CD1 3.27Å; T116-L120 PolarHBondContact OG1-O 2.93Å
117	G	98.2	Very high	97.9	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.021	18%	0.177	C	C	.	.			trans	77.8	-170.6	-179	0	0	0	0	0	114	N103 G115	N103-G117 PolarHBondContact ND2-O 3.32Å; N103-G117 PolarHBondContact O-N 3.16Å; G115-G117 VanDerWaalsContact C-N 3.29Å
118	W	97.4	Very high	97.9	Very high	43 Å²	43	35.4 Å²	35.4	16%	0.163	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	141.8	-178.7	-69.2	124.7	0	0	0	112.7	F104 L120 T133 L157 E166 L167	F104-W118 HydrophobicContact CD2-CZ2 4.48Å; F104-W118 AromaticContact CE2-CD2 3.41Å; F104-W118 HydrophobicContact CE2-CD2 3.41Å; F104-W118 VanDerWaalsContact CE2-CD2 3.41Å; F104-W118 AromaticContact CE2-CE2 3.45Å; F104-W118 VanDerWaalsContact CE2-CE2 3.45Å; F104-W118 AromaticContact CE2-CE3 3.68Å; F104-W118 HydrophobicContact CE2-CE3 3.68Å; F104-W118 AromaticContact CE2-CG 3.92Å; F104-W118 HydrophobicContact CE2-CG 3.92Å; F104-W118 AromaticContact CE2-CH2 3.99Å; F104-W118 HydrophobicContact CE2-CH2 3.99Å; F104-W118 AromaticContact CE2-CZ2 3.76Å; F104-W118 HydrophobicContact CE2-CZ2 3.76Å; F104-W118 AromaticContact CE2-CZ3 3.96Å; F104-W118 HydrophobicContact CE2-CZ3 3.96Å; F104-W118 AromaticContact CE2-NE1 3.95Å; F104-W118 HydrophobicContact CZ-CB 4.42Å; F104-W118 AromaticContact CZ-CD1 3.55Å; F104-W118 AromaticContact CZ-CD2 3.56Å; F104-W118 HydrophobicContact CZ-CD2 3.56Å; F104-W118 AromaticContact CZ-CE2 3.48Å; F104-W118 VanDerWaalsContact CZ-CE2 3.48Å; F104-W118 HydrophobicContact CZ-CE3 4.3Å; F104-W118 AromaticContact CZ-CG 3.59Å; F104-W118 HydrophobicContact CZ-CG 3.59Å; F104-W118 HydrophobicContact CZ-CZ2 4.14Å; F104-W118 AromaticContact CZ-NE1 3.45Å; W118-L120 PolarHBondContact O-N 3.34Å; W118-T133 HydrophobicContact CE3-CG2 4.21Å; W118-T133 HydrophobicContact CH2-CG2 4.29Å; W118-T133 HydrophobicContact CZ3-CG2 3.64Å; W118-L157 HydrophobicContact CH2-CG 4.4Å; W118-L157 HydrophobicContact CZ2-CD1 3.62Å; W118-L157 HydrophobicContact CZ2-CG 3.88Å; W118-E166 HydrophobicContact CB-CG 4.1Å; W118-E166 WeakPolarHBondContact CB-OE2 3.29Å; W118-E166 HydrophobicContact CD2-CB 3.81Å; W118-E166 HydrophobicContact CD2-CG 3.98Å; W118-E166 HydrophobicContact CE3-CB 3.81Å; W118-E166 HydrophobicContact CE3-CG 4.46Å; W118-E166 HydrophobicContact CG-CB 4.16Å; W118-E166 HydrophobicContact CG-CG 3.81Å; W118-E166 HydrophobicContact CZ3-CB 4.3Å; W118-L167 HydrophobicContact CH2-CD1 3.99Å; W118-L167 HydrophobicContact CH2-CD2 4.26Å; W118-L167 HydrophobicContact CH2-CG 3.96Å; W118-L167 HydrophobicContact CZ3-CD1 4.34Å; W118-L167 HydrophobicContact CZ3-CD2 3.77Å; W118-L167 HydrophobicContact CZ3-CG 3.87Å
119	G	93.2	Very high	97.9	Very high	1 Å²	1	35 Å²	35	1%	0.01	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	11.5	174	0	0	0	0	0	115.6	Y56 Q57	Y56-G119 WeakPolarHBondContact CA-O 3.44Å; Q57-G119 PolarHBondContact N-O 3.31Å
120	L	97.9	Very high	97.9	Very high	33 Å²	33	35.8 Å²	35.8	17%	0.173	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-119.2	129.8	175.3	-73.3	172.7	0	0	0	109.8	L54 H55 Y56 Q57 N103 T116 W118 G122	L54-L120 HydrophobicContact CB-CD2 4.17Å; L54-L120 HydrophobicContact CD2-CD1 4.08Å; L54-L120 HydrophobicContact CD2-CD2 4.21Å; H55-L120 WeakPolarHBondContact O-CA 3.31Å; Y56-L120 HydrophobicContact CD1-CD2 3.82Å; Y56-L120 HydrophobicContact CE1-CD2 3.9Å; Y56-L120 HydrophobicContact CG-CD2 4.33Å; Q57-L120 PolarHBondContact OE1-O 3.36Å; N103-L120 PolarHBondContact ND2-O 2.93Å; T116-L120 VanDerWaalsContact O-CD1 3.24Å; T116-L120 WeakPolarHBondContact O-CD1 3.27Å; T116-L120 PolarHBondContact OG1-O 2.93Å; W118-L120 PolarHBondContact O-N 3.34Å; L120-G122 PolarHBondContact O-N 3.49Å
121	R	98.2	Very high	97.8	Very high	124 Å²	124	38.7 Å²	38.7	47%	0.468	20%	0.203	S	C	.	.			trans	-63	128	179.7	157.7	171.3	-179.9	177.5	0.5	110.8	H55 Q57 N129	H55-R121 HydrophobicContact CB-CB 4Å; H55-R121 PolarHBondContact O-N 3.25Å; Q57-R121 HydrophobicContact CG-CB 3.97Å; R121-N129 HydrophobicContact CG-CB 4.22Å; R121-N129 VanDerWaalsContact CG-O 3.31Å; R121-N129 WeakPolarHBondContact CG-O 3.46Å
122	G	98.1	Very high	97.8	Very high	6 Å²	6	36.8 Å²	36.8	6%	0.062	19%	0.193	C	C	.	.			trans	-86.5	-167.8	167.7	0	0	0	0	0	113.3	S101 L120 N129	S101-G122 CarbonylContact O-C 3.52Å; S101-G122 WeakPolarHBondContact O-CA 3.36Å; L120-G122 PolarHBondContact O-N 3.49Å; G122-N129 WeakPolarHBondContact O-CB 3.3Å
123	A	98.4	Very high	97.8	Very high	32 Å²	32	36.8 Å²	36.8	26%	0.264	19%	0.193	S	C	.	.	S	Bend	trans	-133.4	31.9	176.4	0	0	0	0	0	111.6	F97 S101 N129	F97-A123 HydrophobicContact CD1-CB 4.26Å; F97-A123 HydrophobicContact CD2-CB 3.64Å; F97-A123 HydrophobicContact CE1-CB 4.4Å; F97-A123 HydrophobicContact CE2-CB 3.8Å; F97-A123 HydrophobicContact CG-CB 3.9Å; F97-A123 HydrophobicContact CZ-CB 4.18Å; S101-A123 PolarHBondContact O-N 3.42Å; A123-N129 VanDerWaalsContact C-OD1 3.29Å; A123-N129 WeakPolarHBondContact CA-OD1 3.5Å
124	H	98.3	Very high	97.8	Very high	17 Å²	17	36.8 Å²	36.8	8%	0.079	19%	0.193	C	C	.	.	S	Bend	trans	-86.5	-33.7	-171.5	57.8	84.3	0	0	0	114.4	H67 S101 Y102 N129 G134	H67-H124 AromaticContact NE2-ND1 3.49Å; H67-H124 PolarHBondContact NE2-ND1 3.45Å; S101-H124 WeakPolarHBondContact O-CB 3.45Å; S101-H124 PolarHBondContact O-N 2.93Å; Y102-H124 HydrophobicContact CD1-CB 3.5Å; Y102-H124 VanDerWaalsContact CD1-CB 3.5Å; Y102-H124 HydrophobicContact CE1-CB 3.78Å; Y102-H124 HydrophobicContact CG-CB 4.45Å; H124-N129 PolarHBondContact N-OD1 3.07Å; H124-G134 PolarHBondContact NE2-N 2.85Å; H124-G134 VanDerWaalsContact NE2-N 3.17Å
125	T	98.4	Very high	97.8	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	18%	0.181	C	C	.	.	S	Bend	trans	-146.4	116.5	-174.2	-49.9	0	0	0	0	111.3	V65 H67 G127 Y128 N129 V179 I180	V65-T125 HydrophobicContact CG1-CG2 4.44Å; H67-T125 PolarHBondContact CE1-OG1 3.36Å; H67-T125 PolarHBondContact NE2-OG1 2.98Å; T125-G127 PolarHBondContact O-N 3.48Å; T125-Y128 HydrophobicContact CG2-CD2 3.87Å; T125-Y128 HydrophobicContact CG2-CG 4.3Å; T125-Y128 PolarHBondContact O-N 2.92Å; T125-N129 PolarHBondContact N-OD1 3.44Å; T125-N129 PolarHBondContact O-N 3.46Å; T125-N129 PolarHBondContact O-ND2 2.93Å; T125-N129 PolarHBondContact O-OD1 2.94Å; T125-N129 VanDerWaalsContact O-OD1 3.08Å; T125-V179 HydrophobicContact CG2-CG2 3.57Å; T125-I180 HydrophobicContact CG2-CD1 4.11Å; T125-I180 HydrophobicContact CG2-CG1 4.26Å; T125-I180 HydrophobicContact CG2-CG2 4.24Å
126	Y	96.9	Very high	97.8	Very high	200 Å²	200	34.1 Å²	34.1	78%	0.784	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	136.2	174.6	-175	-96.7	0	0	0	110.9	Y128	Y126-Y128 PolarHBondContact O-N 3.2Å
127	G	97.3	Very high	97.9	Very high	55 Å²	55	33.4 Å²	33.4	57%	0.567	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	-26	-173.8	0	0	0	0	0	115.3	T125	T125-G127 PolarHBondContact O-N 3.48Å
128	Y	98.1	Very high	97.9	Very high	34 Å²	34	33.3 Å²	33.3	13%	0.133	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-17.5	-175.5	-68.8	-97.9	0	0	0	114.1	Y63 V65 T125 Y126 A130 I131 G132 I174 V179	Y63-Y128 HydrophobicContact CD1-CD1 4.04Å; Y63-Y128 AromaticContact CD1-CE1 3.69Å; Y63-Y128 HydrophobicContact CD1-CE1 3.69Å; Y63-Y128 HydrophobicContact CD2-CD1 4.41Å; Y63-Y128 HydrophobicContact CD2-CE1 4.48Å; Y63-Y128 AromaticContact CE1-CE1 3.86Å; Y63-Y128 HydrophobicContact CE1-CE1 3.86Å; Y63-Y128 AromaticContact CG-CD1 3.94Å; Y63-Y128 HydrophobicContact CG-CD1 3.94Å; Y63-Y128 HydrophobicContact CG-CE1 4.03Å; V65-Y128 HydrophobicContact CG2-CD1 4.39Å; V65-Y128 HydrophobicContact CG2-CG 4.34Å; T125-Y128 HydrophobicContact CG2-CD2 3.87Å; T125-Y128 HydrophobicContact CG2-CG 4.3Å; T125-Y128 PolarHBondContact O-N 2.92Å; Y126-Y128 PolarHBondContact O-N 3.2Å; Y128-A130 PolarHBondContact O-N 2.86Å; Y128-I131 HydrophobicContact CD1-CD1 4.4Å; Y128-I131 CarbonylContact O-C 3.59Å; Y128-I131 PolarHBondContact O-N 3.48Å; Y128-G132 WeakPolarHBondContact O-CA 3.47Å; Y128-G132 PolarHBondContact O-N 3.34Å; Y128-I174 HydrophobicContact CD1-CD1 3.87Å; Y128-I174 HydrophobicContact CE1-CD1 3.55Å; Y128-V179 HydrophobicContact CD2-CB 4.25Å; Y128-V179 HydrophobicContact CD2-CG2 3.95Å; Y128-V179 HydrophobicContact CE2-CB 3.55Å; Y128-V179 HydrophobicContact CE2-CG1 3.65Å; Y128-V179 HydrophobicContact CE2-CG2 3.75Å; Y128-V179 WeakPolarHBondContact OH-CG1 3.18Å
129	N	98.1	Very high	97.9	Very high	20 Å²	20	31.3 Å²	31.3	11%	0.107	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-34.7	-178.9	-72.4	-29.1	0	0	0	115.1	Q57 R121 G122 A123 H124 T125	Q57-N129 PolarHBondContact NE2-O 3.41Å; R121-N129 HydrophobicContact CG-CB 4.22Å; R121-N129 VanDerWaalsContact CG-O 3.31Å; R121-N129 WeakPolarHBondContact CG-O 3.46Å; G122-N129 WeakPolarHBondContact O-CB 3.3Å; A123-N129 VanDerWaalsContact C-OD1 3.29Å; A123-N129 WeakPolarHBondContact CA-OD1 3.5Å; H124-N129 PolarHBondContact N-OD1 3.07Å; T125-N129 PolarHBondContact N-OD1 3.44Å; T125-N129 PolarHBondContact O-N 3.46Å; T125-N129 PolarHBondContact O-ND2 2.93Å; T125-N129 PolarHBondContact O-OD1 2.94Å; T125-N129 VanDerWaalsContact O-OD1 3.08Å
130	A	96.9	Very high	98.2	Very high	51 Å²	51	34.5 Å²	34.5	42%	0.421	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-16.4	-178.3	0	0	0	0	0	114.1	Y128	Y128-A130 PolarHBondContact O-N 2.86Å
131	I	97.1	Very high	98.2	Very high	81 Å²	81	32.9 Å²	32.9	42%	0.415	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	2.8	-170.2	62.2	169.9	0	0	0	113.3	I61 Y63 Y128	I61-I131 WeakPolarHBondContact CG2-O 3.41Å; Y63-I131 HydrophobicContact CD2-CD1 3.88Å; Y63-I131 HydrophobicContact CD2-CG1 4.16Å; Y63-I131 HydrophobicContact CE2-CD1 3.93Å; Y63-I131 PolarHBondContact N-O 2.74Å; Y128-I131 HydrophobicContact CD1-CD1 4.4Å; Y128-I131 CarbonylContact O-C 3.59Å; Y128-I131 PolarHBondContact O-N 3.48Å
132	G	98.2	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	157.2	-174	0	0	0	0	0	113.4	Q57 Y63 Y128	Q57-G132 PolarHBondContact NE2-O 3.28Å; Y63-G132 CarbonylContact O-C 3.6Å; Y63-G132 WeakPolarHBondContact O-CA 3.26Å; Y128-G132 WeakPolarHBondContact O-CA 3.47Å; Y128-G132 PolarHBondContact O-N 3.34Å
133	T	98.8	Very high	98.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	117.6	171	-60.9	0	0	0	0	108.7	Y63 V64 V65 N103 F104 W118 I135	Y63-T133 PolarHBondContact O-N 2.76Å; V64-T133 WeakPolarHBondContact CA-O 3.5Å; V65-T133 PolarHBondContact N-O 3.05Å; N103-T133 HydrophobicContact CB-CG2 3.62Å; F104-T133 HydrophobicContact CD2-CG2 3.94Å; F104-T133 HydrophobicContact CE2-CG2 4.16Å; W118-T133 HydrophobicContact CE3-CG2 4.21Å; W118-T133 HydrophobicContact CH2-CG2 4.29Å; W118-T133 HydrophobicContact CZ3-CG2 3.64Å; T133-I135 HydrophobicContact CG2-CG1 4.18Å
134	G	98.8	Very high	98.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	120.9	173.7	0	0	0	0	0	111.8	V65 N103 F104 H124	V65-G134 WeakPolarHBondContact O-CA 3.44Å; N103-G134 WeakPolarHBondContact CB-O 3.33Å; N103-G134 PolarHBondContact N-O 2.88Å; N103-G134 PolarHBondContact OD1-N 2.95Å; F104-G134 PolarHBondContact N-O 2.85Å; F104-G134 VanDerWaalsContact N-O 3.16Å; H124-G134 PolarHBondContact NE2-N 2.85Å; H124-G134 VanDerWaalsContact NE2-N 3.17Å
135	I	98.9	Very high	98.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.5	175.3	-57.2	175.3	0	0	0	108.6	V64 V65 I66 H67 F104 I106 T133 L157 L158	V64-I135 HydrophobicContact CG1-CD1 3.78Å; V64-I135 HydrophobicContact CG1-CG1 4.29Å; V65-I135 PolarHBondContact O-N 2.8Å; I66-I135 CarbonylContact C-O 3.57Å; I66-I135 WeakPolarHBondContact CA-O 3.18Å; I66-I135 HydrophobicContact CD1-CB 4Å; I66-I135 HydrophobicContact CD1-CD1 4.4Å; H67-I135 PolarHBondContact N-O 2.77Å; F104-I135 HydrophobicContact CB-CG1 4.43Å; F104-I135 WeakPolarHBondContact O-CA 3.49Å; I106-I135 HydrophobicContact CD1-CG2 3.76Å; I106-I135 HydrophobicContact CG1-CG2 4.21Å; T133-I135 HydrophobicContact CG2-CG1 4.18Å; I135-L157 HydrophobicContact CD1-CD2 4.05Å; I135-L158 HydrophobicContact CD1-CD2 3.75Å; I135-L158 HydrophobicContact CD1-CG 4.4Å
136	A	98.9	Very high	98.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.4	178.8	0	0	0	0	0	112.8	H67 T69 Y102 F104 L105 I106	H67-A136 HydrophobicContact CB-CB 3.96Å; H67-A136 CarbonylContact O-C 3.54Å; H67-A136 WeakPolarHBondContact O-CA 3.37Å; T69-A136 HydrophobicContact CG2-CB 3.85Å; Y102-A136 HydrophobicContact CD1-CB 3.59Å; Y102-A136 HydrophobicContact CD2-CB 3.6Å; Y102-A136 HydrophobicContact CE1-CB 3.76Å; Y102-A136 HydrophobicContact CE2-CB 3.76Å; Y102-A136 HydrophobicContact CG-CB 3.5Å; Y102-A136 VanDerWaalsContact CG-CB 3.5Å; F104-A136 PolarHBondContact O-N 3.48Å; L105-A136 CarbonylContact C-O 3.56Å; L105-A136 WeakPolarHBondContact CA-O 3.47Å; L105-A136 HydrophobicContact CD2-CB 4.27Å; L105-A136 HydrophobicContact CG-CB 4.32Å; I106-A136 PolarHBondContact N-O 2.88Å
137	F	98.9	Very high	98.4	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	128.8	166.8	-70.1	-96.5	0	0	0	109.9	I66 H67 H68 T69 I106 G139 F141 P146 A150 L151 A154 L189 W196	I66-F137 HydrophobicContact CG2-CD2 4.08Å; I66-F137 HydrophobicContact CG2-CE2 3.92Å; H67-F137 PolarHBondContact O-N 2.86Å; H68-F137 WeakPolarHBondContact CA-O 3.47Å; T69-F137 PolarHBondContact N-O 3.19Å; T69-F137 VanDerWaalsContact N-O 3.11Å; I106-F137 HydrophobicContact CB-CD1 4.28Å; I106-F137 HydrophobicContact CB-CE1 4.45Å; I106-F137 HydrophobicContact CG2-CD1 4.5Å; I106-F137 HydrophobicContact CG2-CE1 4.42Å; F137-G139 PolarHBondContact O-N 3.19Å; F137-G139 VanDerWaalsContact O-N 3.14Å; F137-F141 HydrophobicContact CB-CD2 3.77Å; F137-F141 HydrophobicContact CB-CE2 3.29Å; F137-F141 HydrophobicContact CB-CZ 4.15Å; F137-F141 HydrophobicContact CG-CE2 4.44Å; F137-P146 HydrophobicContact CB-CG 4.11Å; F137-P146 HydrophobicContact CD1-CB 3.59Å; F137-P146 HydrophobicContact CD1-CG 3.48Å; F137-P146 VanDerWaalsContact CD1-CG 3.48Å; F137-P146 HydrophobicContact CE1-CB 4Å; F137-P146 HydrophobicContact CE1-CG 3.95Å; F137-P146 HydrophobicContact CG-CB 4.37Å; F137-P146 HydrophobicContact CG-CG 3.81Å; F137-A150 HydrophobicContact CD1-CB 3.99Å; F137-A150 HydrophobicContact CE1-CB 3.9Å; F137-L151 HydrophobicContact CE1-CD2 4.08Å; F137-L151 HydrophobicContact CZ-CD2 4.09Å; F137-A154 HydrophobicContact CE1-CB 4.32Å; F137-A154 HydrophobicContact CE2-CB 4.38Å; F137-A154 HydrophobicContact CZ-CB 3.6Å; F137-L189 HydrophobicContact CB-CD2 4.14Å; F137-L189 HydrophobicContact CD2-CD2 3.53Å; F137-L189 HydrophobicContact CE2-CD1 4.35Å; F137-L189 HydrophobicContact CE2-CD2 4.1Å; F137-L189 HydrophobicContact CG-CD2 3.93Å; F137-W196 HydrophobicContact CE2-CH2 4.45Å; F137-W196 HydrophobicContact CZ-CH2 4.04Å
138	I	98.9	Very high	98.4	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.204	C	C	.	.	S	Bend	trans	-75.8	103	-178.1	-55.7	172.3	0	0	0	109.1	T69 C74 I83 L84 L105 I106 Y113	T69-I138 HydrophobicContact CG2-CG1 4.46Å; T69-I138 WeakPolarHBondContact OG1-CA 3.43Å; C74-I138 HydrophobicContact CB-CG2 4.5Å; I83-I138 HydrophobicContact CD1-CG2 4.06Å; I83-I138 HydrophobicContact CG2-CG2 3.89Å; L84-I138 HydrophobicContact CD2-CD1 4.12Å; L84-I138 HydrophobicContact CG-CD1 4.29Å; L105-I138 HydrophobicContact CB-CD1 4.12Å; L105-I138 HydrophobicContact CB-CG1 4.02Å; L105-I138 HydrophobicContact CD2-CG1 4.37Å; I106-I138 PolarHBondContact O-N 3.29Å; Y113-I138 HydrophobicContact CD2-CD1 4.26Å
139	G	98.7	Very high	98.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	148.8	-167.3	-177.7	0	0	0	0	0	113.1	T69 V70 T71 F137	T69-G139 PolarHBondContact N-O 2.8Å; T69-G139 PolarHBondContact OG1-N 3.02Å; T69-G139 PolarHBondContact OG1-O 3.48Å; V70-G139 WeakPolarHBondContact CA-O 3.35Å; V70-G139 PolarHBondContact N-O 2.97Å; T71-G139 CarbonylContact O-C 3.5Å; T71-G139 WeakPolarHBondContact O-CA 3.48Å; F137-G139 PolarHBondContact O-N 3.19Å; F137-G139 VanDerWaalsContact O-N 3.14Å
140	N	98.7	Very high	98.4	Very high	68 Å²	68	37.6 Å²	37.6	36%	0.364	21%	0.213	S	C	.	.			trans	-122.8	115.6	172.7	-177.8	-9.1	0	0	0	109.4	V142	N140-V142 VanDerWaalsContact OD1-CG2 3.25Å; N140-V142 WeakPolarHBondContact OD1-CG2 3.27Å; N140-V142 PolarHBondContact OD1-N 3.28Å
141	F	98.7	Very high	98.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.195	C	C	.	.			trans	-115.7	32	-172.5	-54.8	-65.1	0	0	0	113.2	H68 F137 K144 P146 G186 T188 L189	H68-F141 HydrophobicContact CB-CD2 3.78Å; H68-F141 HydrophobicContact CB-CE2 4.44Å; H68-F141 PolarHBondContact ND1-N 2.82Å; F137-F141 HydrophobicContact CB-CD2 3.77Å; F137-F141 HydrophobicContact CB-CE2 3.29Å; F137-F141 HydrophobicContact CB-CZ 4.15Å; F137-F141 HydrophobicContact CG-CE2 4.44Å; F141-K144 CarbonylContact C-O 3.49Å; F141-K144 WeakPolarHBondContact CA-O 3.05Å; F141-K144 WeakPolarHBondContact CB-O 3.17Å; F141-K144 WeakPolarHBondContact CD1-O 3.49Å; F141-P146 HydrophobicContact CD1-CB 4.32Å; F141-P146 HydrophobicContact CD1-CG 3.75Å; F141-P146 VanDerWaalsContact CD1-N 3.27Å; F141-P146 HydrophobicContact CD2-CG 3.9Å; F141-P146 VanDerWaalsContact CE1-CA 3.41Å; F141-P146 HydrophobicContact CE1-CB 3.89Å; F141-P146 HydrophobicContact CE1-CG 3.77Å; F141-P146 HydrophobicContact CE2-CG 3.96Å; F141-P146 HydrophobicContact CG-CG 3.81Å; F141-P146 HydrophobicContact CZ-CB 3.98Å; F141-P146 HydrophobicContact CZ-CG 3.87Å; F141-G186 CarbonylContact O-C 3.34Å; F141-G186 WeakPolarHBondContact O-CA 3.25Å; F141-T188 PolarHBondContact O-N 3.11Å; F141-L189 HydrophobicContact CB-CB 3.73Å; F141-L189 HydrophobicContact CB-CD2 4.18Å; F141-L189 HydrophobicContact CD2-CD2 3.99Å; F141-L189 HydrophobicContact CG-CD2 4.3Å; F141-L189 PolarHBondContact O-N 2.83Å
142	V	98.6	Very high	98.6	Very high	41 Å²	41	36.3 Å²	36.3	25%	0.248	20%	0.197	C	C	.	.	S	Bend	trans	-63	-49.9	171.4	175.4	0	0	0	0	110.2	N140 T188	N140-V142 VanDerWaalsContact OD1-CG2 3.25Å; N140-V142 WeakPolarHBondContact OD1-CG2 3.27Å; N140-V142 PolarHBondContact OD1-N 3.28Å; V142-T188 WeakPolarHBondContact O-CB 3.48Å; V142-T188 PolarHBondContact O-N 3.24Å; V142-T188 PolarHBondContact O-OG1 3.05Å
143	D	97.9	Very high	98.6	Very high	146 Å²	146	36.5 Å²	36.5	78%	0.781	20%	0.199	S	C	*	.	S	Bend	trans	-113.8	4.1	-170.9	-54.9	-51.6	0	0	0	114.3	T188	D143-T188 WeakPolarHBondContact CA-OG1 3.37Å
144	K	98.3	Very high	98.6	Very high	105 Å²	105	36.5 Å²	36.5	46%	0.457	20%	0.199	S	C	.	.	S	Bend	trans	-152.6	156.7	178	57.2	165.9	163.4	171.7	0	111.5	E73 F141 T188	E73-K144 WeakPolarHBondContact OE1-CE 3.48Å; E73-K144 IonicContact OE1-NZ 2.62Å; E73-K144 PolarHBondContact OE1-NZ 2.82Å; E73-K144 IonicContact OE2-NZ 2.8Å; E73-K144 PolarHBondContact OE2-NZ 2.98Å; F141-K144 CarbonylContact C-O 3.49Å; F141-K144 WeakPolarHBondContact CA-O 3.05Å; F141-K144 WeakPolarHBondContact CB-O 3.17Å; F141-K144 WeakPolarHBondContact CD1-O 3.49Å; K144-T188 PolarHBondContact N-OG1 3.24Å
145	L	98.7	Very high	98.5	Very high	67 Å²	67	40 Å²	40	35%	0.351	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-79.9	154.2	172.4	-70.8	174.3	0	0	0	111.9	T188 E192	L145-T188 HydrophobicContact CD2-CG2 3.76Å; L145-T188 HydrophobicContact CG-CG2 3.71Å; L145-E192 HydrophobicContact CD2-CB 3.52Å; L145-E192 HydrophobicContact CD2-CG 4.05Å
146	P	98.7	Very high	98.5	Very high	4 Å²	4	42.2 Å²	42.2	3%	0.026	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-54.9	165.8	155.8	-18.3	29.9	0	0	0	111.5	F137 F141 A150 L151 L189	F137-P146 HydrophobicContact CB-CG 4.11Å; F137-P146 HydrophobicContact CD1-CB 3.59Å; F137-P146 HydrophobicContact CD1-CG 3.48Å; F137-P146 VanDerWaalsContact CD1-CG 3.48Å; F137-P146 HydrophobicContact CE1-CB 4Å; F137-P146 HydrophobicContact CE1-CG 3.95Å; F137-P146 HydrophobicContact CG-CB 4.37Å; F137-P146 HydrophobicContact CG-CG 3.81Å; F141-P146 HydrophobicContact CD1-CB 4.32Å; F141-P146 HydrophobicContact CD1-CG 3.75Å; F141-P146 VanDerWaalsContact CD1-N 3.27Å; F141-P146 HydrophobicContact CD2-CG 3.9Å; F141-P146 VanDerWaalsContact CE1-CA 3.41Å; F141-P146 HydrophobicContact CE1-CB 3.89Å; F141-P146 HydrophobicContact CE1-CG 3.77Å; F141-P146 HydrophobicContact CE2-CG 3.96Å; F141-P146 HydrophobicContact CG-CG 3.81Å; F141-P146 HydrophobicContact CZ-CB 3.98Å; F141-P146 HydrophobicContact CZ-CG 3.87Å; P146-A150 HydrophobicContact CB-CB 3.94Å; P146-L151 HydrophobicContact CB-CD2 4.18Å; P146-L151 HydrophobicContact CB-CG 4.36Å; P146-L151 HydrophobicContact CG-CD2 3.99Å; P146-L189 HydrophobicContact CG-CD1 4.03Å; P146-L189 HydrophobicContact CG-CD2 3.94Å
147	S	98.6	Very high	98.5	Very high	36 Å²	36	42.2 Å²	42.2	25%	0.252	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-62.7	151.6	173.7	71.6	0	0	0	0	111.6	N108 A149 A150 L151	N108-S147 WeakPolarHBondContact CA-OG 3.46Å; N108-S147 PolarHBondContact O-OG 3.05Å; N108-S147 PolarHBondContact OD1-N 2.77Å; S147-A149 PolarHBondContact O-N 3.21Å; S147-A149 VanDerWaalsContact O-N 3.14Å; S147-A150 WeakPolarHBondContact O-CA 3.42Å; S147-A150 WeakPolarHBondContact O-CB 3.42Å; S147-A150 PolarHBondContact O-N 3.2Å; S147-A150 PolarHBondContact OG-N 2.86Å; S147-L151 PolarHBondContact O-N 3.26Å
148	D	98.5	Very high	98.4	Very high	136 Å²	136	42.4 Å²	42.4	73%	0.727	23%	0.227	S	C	*	.	H	α-helix	trans	-54.5	-35.7	175.3	-63.7	-22.3	0	0	0	111.9	A150 L151 Q152	D148-A150 VanDerWaalsContact C-N 3.35Å; D148-A150 PolarHBondContact O-N 3.37Å; D148-L151 PolarHBondContact O-N 3.11Å; D148-Q152 WeakPolarHBondContact O-CB 3.42Å; D148-Q152 PolarHBondContact O-N 2.8Å
149	A	98	Very high	98.4	Very high	52 Å²	52	45.3 Å²	45.3	43%	0.43	25%	0.251	S	S	.	.	H	α-helix	trans	-63.1	-39.5	175.3	0	0	0	0	0	112.3	G110 S147 A153	G110-A149 WeakPolarHBondContact CA-O 3.35Å; S147-A149 PolarHBondContact O-N 3.21Å; S147-A149 VanDerWaalsContact O-N 3.14Å; A149-A153 VanDerWaalsContact O-CB 3.29Å; A149-A153 WeakPolarHBondContact O-CB 3.04Å; A149-A153 PolarHBondContact O-N 3.26Å
150	A	98.6	Very high	98.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.6	-45.4	175.2	0	0	0	0	0	111.4	I106 G107 F137 P146 S147 D148 Q152 A153 A154	I106-A150 HydrophobicContact CG2-CB 3.82Å; G107-A150 WeakPolarHBondContact O-CB 3.39Å; F137-A150 HydrophobicContact CD1-CB 3.99Å; F137-A150 HydrophobicContact CE1-CB 3.9Å; P146-A150 HydrophobicContact CB-CB 3.94Å; S147-A150 WeakPolarHBondContact O-CA 3.42Å; S147-A150 WeakPolarHBondContact O-CB 3.42Å; S147-A150 PolarHBondContact O-N 3.2Å; S147-A150 PolarHBondContact OG-N 2.86Å; D148-A150 VanDerWaalsContact C-N 3.35Å; D148-A150 PolarHBondContact O-N 3.37Å; A150-Q152 VanDerWaalsContact C-N 3.32Å; A150-Q152 PolarHBondContact O-N 3.23Å; A150-A153 PolarHBondContact O-N 3.48Å; A150-A154 PolarHBondContact O-N 3.38Å
151	L	98.8	Very high	98.3	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-60.9	-42.7	177.6	-62.2	175	0	0	0	111	F137 P146 S147 D148 A154 K155 L189 E192 W196	F137-L151 HydrophobicContact CE1-CD2 4.08Å; F137-L151 HydrophobicContact CZ-CD2 4.09Å; P146-L151 HydrophobicContact CB-CD2 4.18Å; P146-L151 HydrophobicContact CB-CG 4.36Å; P146-L151 HydrophobicContact CG-CD2 3.99Å; S147-L151 PolarHBondContact O-N 3.26Å; D148-L151 PolarHBondContact O-N 3.11Å; L151-A154 PolarHBondContact O-N 3.23Å; L151-K155 WeakPolarHBondContact O-CG 3.38Å; L151-K155 PolarHBondContact O-N 2.88Å; L151-K155 VanDerWaalsContact O-N 3.11Å; L151-L189 HydrophobicContact CD2-CD1 3.95Å; L151-E192 HydrophobicContact CD1-CG 4.29Å; L151-E192 HydrophobicContact CD2-CG 4.15Å; L151-W196 HydrophobicContact CB-CZ2 4.42Å; L151-W196 HydrophobicContact CD2-CZ2 3.93Å
152	Q	97.8	Very high	98.3	Very high	97 Å²	97	44.2 Å²	44.2	45%	0.453	25%	0.247	S	C	.	.	H	α-helix	trans	-65.6	-43.3	176	-170.8	60	49.6	0	0	111.8	D148 A150 A154 K155 D156	D148-Q152 WeakPolarHBondContact O-CB 3.42Å; D148-Q152 PolarHBondContact O-N 2.8Å; A150-Q152 VanDerWaalsContact C-N 3.32Å; A150-Q152 PolarHBondContact O-N 3.23Å; Q152-A154 PolarHBondContact O-N 2.86Å; Q152-K155 PolarHBondContact O-N 2.73Å; Q152-K155 VanDerWaalsContact O-N 3.13Å; Q152-D156 PolarHBondContact NE2-OD1 2.89Å; Q152-D156 WeakPolarHBondContact O-CB 3.29Å; Q152-D156 VanDerWaalsContact O-CG 3.26Å; Q152-D156 PolarHBondContact O-N 3.43Å
153	A	98.1	Very high	98.2	Very high	5 Å²	5	48.3 Å²	48.3	4%	0.041	26%	0.263	C	S	.	.	H	α-helix	trans	-59.8	-35.4	177	0	0	0	0	0	112.5	I106 G110 V112 A149 A150 L157	I106-A153 HydrophobicContact CG2-CB 4.11Å; G110-A153 VanDerWaalsContact O-CB 3.27Å; G110-A153 WeakPolarHBondContact O-CB 3.46Å; V112-A153 HydrophobicContact CG2-CB 4.2Å; A149-A153 VanDerWaalsContact O-CB 3.29Å; A149-A153 WeakPolarHBondContact O-CB 3.04Å; A149-A153 PolarHBondContact O-N 3.26Å; A150-A153 PolarHBondContact O-N 3.48Å; A153-L157 VanDerWaalsContact O-CB 3.26Å; A153-L157 WeakPolarHBondContact O-CB 3.27Å; A153-L157 PolarHBondContact O-N 2.87Å
154	A	98.6	Very high	98.1	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.2	-48.6	173.1	0	0	0	0	0	111.7	I106 F137 A150 L151 Q152 D156 L157 L158 W196	I106-A154 HydrophobicContact CD1-CB 3.55Å; F137-A154 HydrophobicContact CE1-CB 4.32Å; F137-A154 HydrophobicContact CE2-CB 4.38Å; F137-A154 HydrophobicContact CZ-CB 3.6Å; A150-A154 PolarHBondContact O-N 3.38Å; L151-A154 PolarHBondContact O-N 3.23Å; Q152-A154 PolarHBondContact O-N 2.86Å; A154-D156 VanDerWaalsContact C-N 3.31Å; A154-D156 PolarHBondContact O-N 3.14Å; A154-L157 WeakPolarHBondContact O-CB 3.34Å; A154-L157 PolarHBondContact O-N 3.43Å; A154-L158 VanDerWaalsContact O-CG 3.27Å; A154-L158 WeakPolarHBondContact O-CG 3.45Å; A154-L158 PolarHBondContact O-N 3.13Å; A154-W196 HydrophobicContact CB-CH2 3.67Å; A154-W196 HydrophobicContact CB-CZ3 4.01Å
155	K	98.3	Very high	98	Very high	74 Å²	74	43 Å²	43	32%	0.322	25%	0.246	S	C	.	.	H	α-helix	trans	-58.5	-43.9	177.3	-69.3	171.6	-175.6	174.9	0	111.4	L151 Q152 L158 A159 E192 W196	L151-K155 WeakPolarHBondContact O-CG 3.38Å; L151-K155 PolarHBondContact O-N 2.88Å; L151-K155 VanDerWaalsContact O-N 3.11Å; Q152-K155 PolarHBondContact O-N 2.73Å; Q152-K155 VanDerWaalsContact O-N 3.13Å; K155-L158 PolarHBondContact O-N 3.11Å; K155-A159 WeakPolarHBondContact O-CB 3.44Å; K155-A159 PolarHBondContact O-N 2.94Å; K155-E192 IonicContact NZ-OE1 3.23Å; K155-E192 PolarHBondContact NZ-OE1 2.79Å; K155-W196 HydrophobicContact CG-CD2 4.41Å; K155-W196 HydrophobicContact CG-CE3 4.49Å; K155-W196 HydrophobicContact CG-CH2 4.45Å; K155-W196 HydrophobicContact CG-CZ2 4.35Å
156	D	98.1	Very high	98	Very high	46 Å²	46	41.4 Å²	41.4	25%	0.246	24%	0.237	C	C	.	.	H	α-helix	trans	-65	-41.3	177	-68.9	-11.2	0	0	0	111.7	N36 P38 Q152 A154 L158 C160	N36-D156 WeakPolarHBondContact O-CB 3.46Å; P38-D156 HydrophobicContact CB-CB 4.25Å; P38-D156 HydrophobicContact CG-CB 4.16Å; Q152-D156 PolarHBondContact NE2-OD1 2.89Å; Q152-D156 WeakPolarHBondContact O-CB 3.29Å; Q152-D156 VanDerWaalsContact O-CG 3.26Å; Q152-D156 PolarHBondContact O-N 3.43Å; A154-D156 VanDerWaalsContact C-N 3.31Å; A154-D156 PolarHBondContact O-N 3.14Å; D156-L158 VanDerWaalsContact C-N 3.34Å; D156-L158 PolarHBondContact O-N 3.22Å; D156-C160 WeakPolarHBondContact O-CB 3.32Å; D156-C160 PolarHBondContact O-N 3.31Å
157	L	98.5	Very high	98	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-43.4	176.3	-179.4	64.8	0	0	0	111.4	P38 I40 F104 V112 W118 I135 A153 A154 G161	P38-L157 HydrophobicContact CG-CB 3.94Å; P38-L157 HydrophobicContact CG-CD1 4.27Å; I40-L157 HydrophobicContact CD1-CD1 3.95Å; I40-L157 HydrophobicContact CG1-CD1 4.47Å; F104-L157 HydrophobicContact CB-CD2 3.89Å; F104-L157 HydrophobicContact CD1-CD2 4.33Å; F104-L157 HydrophobicContact CD2-CD2 3.95Å; F104-L157 HydrophobicContact CG-CD2 3.78Å; V112-L157 HydrophobicContact CG1-CD1 4.22Å; V112-L157 HydrophobicContact CG1-CD2 3.81Å; V112-L157 HydrophobicContact CG2-CB 4.35Å; V112-L157 HydrophobicContact CG2-CD2 4.3Å; W118-L157 HydrophobicContact CH2-CG 4.4Å; W118-L157 HydrophobicContact CZ2-CD1 3.62Å; W118-L157 HydrophobicContact CZ2-CG 3.88Å; I135-L157 HydrophobicContact CD1-CD2 4.05Å; A153-L157 VanDerWaalsContact O-CB 3.26Å; A153-L157 WeakPolarHBondContact O-CB 3.27Å; A153-L157 PolarHBondContact O-N 2.87Å; A154-L157 WeakPolarHBondContact O-CB 3.34Å; A154-L157 PolarHBondContact O-N 3.43Å; L157-G161 PolarHBondContact O-N 2.04Å
158	L	98.5	Very high	98	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-66.3	-49.4	179.3	-66.5	173.7	0	0	0	111.7	V64 I135 A154 K155 D156 C160 G161 V162 L167 Y171 L173 W196	V64-L158 HydrophobicContact CB-CD2 4.29Å; V64-L158 HydrophobicContact CG1-CD2 3.78Å; V64-L158 HydrophobicContact CG2-CD2 3.75Å; I135-L158 HydrophobicContact CD1-CD2 3.75Å; I135-L158 HydrophobicContact CD1-CG 4.4Å; A154-L158 VanDerWaalsContact O-CG 3.27Å; A154-L158 WeakPolarHBondContact O-CG 3.45Å; A154-L158 PolarHBondContact O-N 3.13Å; K155-L158 PolarHBondContact O-N 3.11Å; D156-L158 VanDerWaalsContact C-N 3.34Å; D156-L158 PolarHBondContact O-N 3.22Å; L158-C160 VanDerWaalsContact C-N 3.29Å; L158-C160 PolarHBondContact O-N 3.49Å; L158-G161 PolarHBondContact O-N 3.08Å; L158-G161 VanDerWaalsContact O-N 3.14Å; L158-V162 PolarHBondContact O-N 3.03Å; L158-L167 HydrophobicContact CB-CD1 4.49Å; L158-L167 HydrophobicContact CD2-CD1 3.73Å; L158-Y171 HydrophobicContact CD2-CE2 4.32Å; L158-L173 HydrophobicContact CD1-CD1 4.15Å; L158-W196 HydrophobicContact CD1-CE3 4.18Å; L158-W196 HydrophobicContact CD1-CZ3 4.11Å
159	A	97.6	Very high	97.9	Very high	61 Å²	61	41.8 Å²	41.8	50%	0.504	23%	0.231	S	C	.	.	H	α-helix	trans	-59.3	-42.8	176.7	0	0	0	0	0	111.7	K155 V162 Q163	K155-A159 WeakPolarHBondContact O-CB 3.44Å; K155-A159 PolarHBondContact O-N 2.94Å; A159-V162 PolarHBondContact O-N 3.28Å; A159-Q163 PolarHBondContact O-N 3.37Å
160	C	97.8	Very high	97.9	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.041	24%	0.237	C	C	.	.	H	α-helix	trans	-63.7	-40.1	175.4	-177.5	0	0	0	0	112.3	C37 D156 L158 Q163 Q164	C37-C160 HydrophobicContact CB-CB 3.91Å; C37-C160 WeakPolarHBondContact CB-SG 3.28Å; C37-C160 WeakPolarHBondContact SG-CB 3.32Å; C37-C160 CovalentContact SG-SG 2.03Å; C37-C160 PolarHBondContact SG-SG 3.48Å; D156-C160 WeakPolarHBondContact O-CB 3.32Å; D156-C160 PolarHBondContact O-N 3.31Å; L158-C160 VanDerWaalsContact C-N 3.29Å; L158-C160 PolarHBondContact O-N 3.49Å; C160-Q163 PolarHBondContact O-N 3.27Å; C160-Q164 WeakPolarHBondContact O-CB 3.46Å; C160-Q164 WeakPolarHBondContact O-CG 3Å; C160-Q164 PolarHBondContact O-N 3.28Å; C160-Q164 PolarHBondContact SG-NE2 2.94Å
161	G	97.9	Very high	97.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-41.7	176.8	0	0	0	0	0	112.7	L157 L158 Q164 G165 E166 L167	L157-G161 PolarHBondContact O-N 2.04Å; L158-G161 PolarHBondContact O-N 3.08Å; L158-G161 VanDerWaalsContact O-N 3.14Å; G161-Q164 PolarHBondContact O-N 3.01Å; G161-G165 PolarHBondContact O-N 2.85Å; G161-E166 PolarHBondContact O-N 3.47Å; G161-L167 PolarHBondContact O-N 2.81Å
162	V	97.8	Very high	97.9	Very high	40 Å²	40	45.1 Å²	45.1	24%	0.242	24%	0.243	C	C	.	.	H	α-helix	trans	-63.6	-49	173.1	174.8	0	0	0	0	110.5	L158 A159 Q164 G165 L167 E169 Y171	L158-V162 PolarHBondContact O-N 3.03Å; A159-V162 PolarHBondContact O-N 3.28Å; V162-Q164 PolarHBondContact O-N 3.28Å; V162-G165 PolarHBondContact O-N 3.42Å; V162-L167 HydrophobicContact CG2-CB 3.9Å; V162-E169 HydrophobicContact CG1-CB 4.49Å; V162-E169 HydrophobicContact CG1-CG 3.99Å; V162-Y171 HydrophobicContact CG2-CD1 3.89Å; V162-Y171 HydrophobicContact CG2-CE1 3.78Å
163	Q	96.7	Very high	98	Very high	126 Å²	126	40.5 Å²	40.5	59%	0.589	22%	0.222	S	C	*	.	H	α-helix	trans	-59.3	-32.9	-179.4	-175.3	177	36.4	0	0	113.3	A159 C160	A159-Q163 PolarHBondContact O-N 3.37Å; C160-Q163 PolarHBondContact O-N 3.27Å
164	Q	96	Very high	98	Very high	99 Å²	99	40.3 Å²	40.3	46%	0.463	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-3.2	179.3	-67.4	-174.8	34.7	0	0	113.8	C160 G161 V162 E166	C160-Q164 WeakPolarHBondContact O-CB 3.46Å; C160-Q164 WeakPolarHBondContact O-CG 3Å; C160-Q164 PolarHBondContact O-N 3.28Å; C160-Q164 PolarHBondContact SG-NE2 2.94Å; G161-Q164 PolarHBondContact O-N 3.01Å; V162-Q164 PolarHBondContact O-N 3.28Å; Q164-E166 VanDerWaalsContact C-N 3.26Å; Q164-E166 HydrophobicContact CB-CG 4.16Å; Q164-E166 PolarHBondContact O-N 3.45Å
165	G	97.1	Very high	98	Very high	40 Å²	40	40.3 Å²	40.3	41%	0.412	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	17.4	-175.8	0	0	0	0	0	114.1	G161 V162	G161-G165 PolarHBondContact O-N 2.85Å; V162-G165 PolarHBondContact O-N 3.42Å
166	E	98	Very high	98	Very high	35 Å²	35	36.8 Å²	36.8	16%	0.164	21%	0.205	C	C	.	.	S	Bend	trans	-78	-39.5	172.5	-62.7	-67	172.6	0	0	110.7	R59 I61 W118 G161 Q164	R59-E166 WeakPolarHBondContact CD-OE2 3.36Å; R59-E166 IonicContact NE-OE2 3.7Å; R59-E166 IonicContact NH1-OE2 3.61Å; I61-E166 WeakPolarHBondContact CB-O 3.29Å; I61-E166 WeakPolarHBondContact CG1-O 3.32Å; I61-E166 PolarHBondContact N-O 3.08Å; W118-E166 HydrophobicContact CB-CG 4.1Å; W118-E166 WeakPolarHBondContact CB-OE2 3.29Å; W118-E166 HydrophobicContact CD2-CB 3.81Å; W118-E166 HydrophobicContact CD2-CG 3.98Å; W118-E166 HydrophobicContact CE3-CB 3.81Å; W118-E166 HydrophobicContact CE3-CG 4.46Å; W118-E166 HydrophobicContact CG-CB 4.16Å; W118-E166 HydrophobicContact CG-CG 3.81Å; W118-E166 HydrophobicContact CZ3-CB 4.3Å; G161-E166 PolarHBondContact O-N 3.47Å; Q164-E166 VanDerWaalsContact C-N 3.26Å; Q164-E166 HydrophobicContact CB-CG 4.16Å; Q164-E166 PolarHBondContact O-N 3.45Å
167	L	98.4	Very high	98.1	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	149.6	174	-64.2	178.4	0	0	0	110.9	I61 V64 W118 L158 G161 V162 Y171	I61-L167 HydrophobicContact CB-CD2 4.02Å; I61-L167 HydrophobicContact CG2-CD2 4.32Å; V64-L167 HydrophobicContact CG2-CD1 3.98Å; V64-L167 HydrophobicContact CG2-CD2 3.74Å; W118-L167 HydrophobicContact CH2-CD1 3.99Å; W118-L167 HydrophobicContact CH2-CD2 4.26Å; W118-L167 HydrophobicContact CH2-CG 3.96Å; W118-L167 HydrophobicContact CZ3-CD1 4.34Å; W118-L167 HydrophobicContact CZ3-CD2 3.77Å; W118-L167 HydrophobicContact CZ3-CG 3.87Å; L158-L167 HydrophobicContact CB-CD1 4.49Å; L158-L167 HydrophobicContact CD2-CD1 3.73Å; G161-L167 PolarHBondContact O-N 2.81Å; V162-L167 HydrophobicContact CG2-CB 3.9Å; L167-Y171 HydrophobicContact CB-CD1 4.36Å; L167-Y171 HydrophobicContact CD1-CD1 4.48Å; L167-Y171 HydrophobicContact CD1-CE1 4.49Å
168	S	98.2	Very high	98.1	Very high	13 Å²	13	38.7 Å²	38.7	9%	0.091	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	148.3	174	-158.6	0	0	0	0	109.7	I61 D170 Y171	I61-S168 PolarHBondContact O-N 3.47Å; S168-D170 VanDerWaalsContact CB-OD1 3.29Å; S168-D170 WeakPolarHBondContact CB-OD1 3.49Å; S168-D170 PolarHBondContact O-N 2.65Å; S168-D170 VanDerWaalsContact O-N 3.17Å; S168-D170 PolarHBondContact OG-OD1 3.08Å; S168-Y171 VanDerWaalsContact O-CD1 3.28Å; S168-Y171 WeakPolarHBondContact O-CD1 3.46Å; S168-Y171 PolarHBondContact O-N 3.19Å; S168-Y171 VanDerWaalsContact O-N 3.17Å
169	E	98.2	Very high	98	Very high	168 Å²	168	40.3 Å²	40.3	79%	0.785	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	-22.8	174.4	-66.5	-176.9	176.1	0	0	112.4	V162 H198	V162-E169 HydrophobicContact CG1-CB 4.49Å; V162-E169 HydrophobicContact CG1-CG 3.99Å; E169-H198 PolarHBondContact O-CE1 2.71Å
170	D	98.1	Very high	98	Very high	104 Å²	104	40.1 Å²	40.1	56%	0.556	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	28.5	178.4	69.2	-25.3	0	0	0	112.7	S168	S168-D170 VanDerWaalsContact CB-OD1 3.29Å; S168-D170 WeakPolarHBondContact CB-OD1 3.49Å; S168-D170 PolarHBondContact O-N 2.65Å; S168-D170 VanDerWaalsContact O-N 3.17Å; S168-D170 PolarHBondContact OG-OD1 3.08Å
171	Y	98.6	Very high	98	Very high	13 Å²	13	46.4 Å²	46.4	5%	0.051	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	154.2	177.5	77.3	-85.4	0	0	0	111.5	R62 V64 L158 V162 L167 S168 L173 H198	R62-Y171 CarbonylContact O-C 3.58Å; R62-Y171 VanDerWaalsContact O-CA 3.3Å; R62-Y171 WeakPolarHBondContact O-CA 3.25Å; V64-Y171 HydrophobicContact CB-CD2 4.1Å; V64-Y171 HydrophobicContact CB-CE2 4.19Å; V64-Y171 HydrophobicContact CG2-CD2 3.58Å; V64-Y171 HydrophobicContact CG2-CE2 3.82Å; V64-Y171 HydrophobicContact CG2-CG 4.43Å; L158-Y171 HydrophobicContact CD2-CE2 4.32Å; V162-Y171 HydrophobicContact CG2-CD1 3.89Å; V162-Y171 HydrophobicContact CG2-CE1 3.78Å; L167-Y171 HydrophobicContact CB-CD1 4.36Å; L167-Y171 HydrophobicContact CD1-CD1 4.48Å; L167-Y171 HydrophobicContact CD1-CE1 4.49Å; S168-Y171 VanDerWaalsContact O-CD1 3.28Å; S168-Y171 WeakPolarHBondContact O-CD1 3.46Å; S168-Y171 PolarHBondContact O-N 3.19Å; S168-Y171 VanDerWaalsContact O-N 3.17Å; Y171-L173 HydrophobicContact CE2-CB 4.11Å; Y171-L173 HydrophobicContact CE2-CD1 4.49Å; Y171-H198 HydrophobicContact CD1-CB 4.5Å; Y171-H198 AromaticContact CD1-CG 3.93Å; Y171-H198 AromaticContact CD1-ND1 3.94Å; Y171-H198 HydrophobicContact CD2-CB 4.11Å; Y171-H198 HydrophobicContact CE1-CB 4.14Å; Y171-H198 AromaticContact CE1-CD2 3.3Å; Y171-H198 WeakPolarHBondContact CE1-CD2 3.29Å; Y171-H198 AromaticContact CE1-CE1 3.95Å; Y171-H198 AromaticContact CE1-CG 3.51Å; Y171-H198 AromaticContact CE1-ND1 3.89Å; Y171-H198 AromaticContact CE1-NE2 3.63Å; Y171-H198 HydrophobicContact CE2-CB 3.71Å; Y171-H198 HydrophobicContact CG-CB 4.5Å; Y171-H198 AromaticContact CZ-CD2 3.4Å; Y171-H198 AromaticContact CZ-CG 3.55Å; Y171-H198 VanDerWaalsContact O-CB 3.26Å; Y171-H198 WeakPolarHBondContact O-CB 3.45Å; Y171-H198 PolarHBondContact O-ND1 3.18Å; Y171-H198 PolarHBondContact OH-CD2 3.15Å
172	A	98.8	Very high	98	Very high	14 Å²	14	48.8 Å²	48.8	12%	0.116	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.4	172.8	0	0	0	0	0	110.4	R62 Y63 V64 L200	R62-A172 PolarHBondContact O-N 3.38Å; Y63-A172 CarbonylContact C-O 3.58Å; Y63-A172 WeakPolarHBondContact CA-O 3.48Å; Y63-A172 HydrophobicContact CD1-CB 3.81Å; Y63-A172 HydrophobicContact CE1-CB 3.88Å; V64-A172 PolarHBondContact N-O 3.2Å; A172-L200 HydrophobicContact CB-CB 4Å; A172-L200 HydrophobicContact CB-CD2 3.71Å
173	L	98.9	Very high	98	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	123.7	170.1	-176.1	77.1	0	0	0	109	V64 I66 L158 Y171 I193 W196 H198 W199 L200	V64-L173 HydrophobicContact CB-CD1 3.97Å; V64-L173 HydrophobicContact CG1-CD1 3.64Å; I66-L173 HydrophobicContact CD1-CD1 3.81Å; I66-L173 HydrophobicContact CG1-CD1 3.66Å; I66-L173 HydrophobicContact CG1-CG 4.39Å; L158-L173 HydrophobicContact CD1-CD1 4.15Å; Y171-L173 HydrophobicContact CE2-CB 4.11Å; Y171-L173 HydrophobicContact CE2-CD1 4.49Å; L173-I193 HydrophobicContact CD2-CB 4.39Å; L173-W196 HydrophobicContact CD2-CB 3.59Å; L173-W196 HydrophobicContact CD2-CD2 4.24Å; L173-W196 HydrophobicContact CD2-CE3 3.71Å; L173-W196 HydrophobicContact CD2-CG 4.26Å; L173-H198 HydrophobicContact CB-CB 4.18Å; L173-H198 WeakPolarHBondContact CB-O 3.48Å; L173-H198 PolarHBondContact N-O 3.25Å; L173-W199 WeakPolarHBondContact O-CA 3.22Å; L173-L200 PolarHBondContact O-N 3.32Å
174	I	98.8	Very high	98.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	161.1	-179.5	60.5	166.1	0	0	0	111.5	Y63 V64 V65 I66 Y128 Q178 V179 L200 P203	Y63-I174 HydrophobicContact CD1-CD1 4.31Å; V64-I174 WeakPolarHBondContact O-CG1 3.49Å; V64-I174 PolarHBondContact O-N 3.37Å; V65-I174 CarbonylContact C-O 3.51Å; V65-I174 WeakPolarHBondContact CA-O 3.39Å; V65-I174 HydrophobicContact CB-CG1 4.38Å; V65-I174 HydrophobicContact CG1-CD1 4.49Å; V65-I174 HydrophobicContact CG1-CG1 4.25Å; V65-I174 HydrophobicContact CG2-CD1 3.99Å; V65-I174 HydrophobicContact CG2-CG1 3.98Å; I66-I174 PolarHBondContact N-O 3.21Å; Y128-I174 HydrophobicContact CD1-CD1 3.87Å; Y128-I174 HydrophobicContact CE1-CD1 3.55Å; I174-Q178 VanDerWaalsContact CA-OE1 3.28Å; I174-V179 HydrophobicContact CD1-CG1 3.85Å; I174-V179 HydrophobicContact CD1-CG2 4.34Å; I174-L200 HydrophobicContact CG2-CB 3.96Å; I174-P203 HydrophobicContact CG2-CB 3.78Å; I174-P203 HydrophobicContact CG2-CG 3.97Å
175	A	98.8	Very high	98.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	148.4	170.9	0	0	0	0	0	111.4	S177 Q178 P185 Y190 I193 W199	A175-S177 PolarHBondContact O-N 3.38Å; A175-Q178 HydrophobicContact CB-CG 4.18Å; A175-Q178 PolarHBondContact O-N 3.45Å; A175-Q178 VanDerWaalsContact O-N 3.11Å; A175-P185 HydrophobicContact CB-CG 4.43Å; A175-Y190 HydrophobicContact CB-CD2 3.49Å; A175-Y190 VanDerWaalsContact CB-CD2 3.49Å; A175-Y190 HydrophobicContact CB-CE2 3.72Å; A175-I193 HydrophobicContact CB-CD1 3.98Å; A175-W199 HydrophobicContact CB-CH2 4.25Å; A175-W199 HydrophobicContact CB-CZ3 4.34Å
176	G	98.4	Very high	98.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-54.1	-38.9	171.6	0	0	0	0	0	113.3	I66 Q178 V179 I180	I66-G176 PolarHBondContact O-N 2.74Å; G176-Q178 VanDerWaalsContact C-N 3.25Å; G176-Q178 PolarHBondContact O-N 3.23Å; G176-V179 PolarHBondContact O-N 3.15Å; G176-I180 VanDerWaalsContact O-CG1 3.27Å; G176-I180 WeakPolarHBondContact O-CG1 3.35Å; G176-I180 PolarHBondContact O-N 2.88Å
177	S	98.3	Very high	98.3	Very high	43 Å²	43	44.6 Å²	44.6	30%	0.301	25%	0.246	S	C	.	.	H	α-helix	trans	-66.5	-17.3	179.6	56.2	0	0	0	0	114.8	A175 V179 T182 S184 Y190	A175-S177 PolarHBondContact O-N 3.38Å; S177-V179 VanDerWaalsContact C-N 3.33Å; S177-T182 VanDerWaalsContact CB-O 3.28Å; S177-T182 WeakPolarHBondContact CB-O 3.44Å; S177-S184 VanDerWaalsContact CB-O 3.29Å; S177-S184 WeakPolarHBondContact CB-O 3.43Å; S177-S184 PolarHBondContact N-O 3.43Å; S177-S184 PolarHBondContact OG-O 3.19Å; S177-Y190 WeakPolarHBondContact OG-CD2 3.37Å
178	Q	98.4	Very high	98.3	Very high	43 Å²	43	46.6 Å²	46.6	20%	0.201	26%	0.258	C	S	.	.	H	α-helix	trans	-74.6	-24.9	176.4	-73.1	175.5	-75.5	0	0	112.7	I174 A175 G176 Y190 W199 L200 S201 P203	I174-Q178 VanDerWaalsContact CA-OE1 3.28Å; A175-Q178 HydrophobicContact CB-CG 4.18Å; A175-Q178 PolarHBondContact O-N 3.45Å; A175-Q178 VanDerWaalsContact O-N 3.11Å; G176-Q178 VanDerWaalsContact C-N 3.25Å; G176-Q178 PolarHBondContact O-N 3.23Å; Q178-Y190 HydrophobicContact CG-CE2 4.02Å; Q178-W199 HydrophobicContact CG-CH2 4.23Å; Q178-W199 VanDerWaalsContact OE1-CZ3 3.31Å; Q178-L200 PolarHBondContact NE2-O 3.23Å; Q178-S201 PolarHBondContact NE2-O 2.59Å; Q178-P203 HydrophobicContact CB-CG 3.84Å
179	V	98.3	Very high	98.3	Very high	40 Å²	40	46 Å²	46	24%	0.242	25%	0.254	C	S	.	.	H	α-helix	trans	-124.8	-16.8	-164.5	-62.7	0	0	0	0	114.2	T125 Y128 I174 G176 S177 P203	T125-V179 HydrophobicContact CG2-CG2 3.57Å; Y128-V179 HydrophobicContact CD2-CB 4.25Å; Y128-V179 HydrophobicContact CD2-CG2 3.95Å; Y128-V179 HydrophobicContact CE2-CB 3.55Å; Y128-V179 HydrophobicContact CE2-CG1 3.65Å; Y128-V179 HydrophobicContact CE2-CG2 3.75Å; Y128-V179 WeakPolarHBondContact OH-CG1 3.18Å; I174-V179 HydrophobicContact CD1-CG1 3.85Å; I174-V179 HydrophobicContact CD1-CG2 4.34Å; G176-V179 PolarHBondContact O-N 3.15Å; S177-V179 VanDerWaalsContact C-N 3.33Å; V179-P203 HydrophobicContact CG1-CB 4.23Å; V179-P203 HydrophobicContact CG1-CG 3.66Å
180	I	97	Very high	98.4	Very high	56 Å²	56	40.6 Å²	40.6	29%	0.287	23%	0.227	S	C	.	.	S	Bend	trans	-140.1	158.4	173.5	58.4	167.7	0	0	0	110.2	T125 G176 T182	T125-I180 HydrophobicContact CG2-CD1 4.11Å; T125-I180 HydrophobicContact CG2-CG1 4.26Å; T125-I180 HydrophobicContact CG2-CG2 4.24Å; G176-I180 VanDerWaalsContact O-CG1 3.27Å; G176-I180 WeakPolarHBondContact O-CG1 3.35Å; G176-I180 PolarHBondContact O-N 2.88Å; I180-T182 HydrophobicContact CD1-CG2 4.15Å; I180-T182 HydrophobicContact CG1-CG2 3.79Å; I180-T182 PolarHBondContact O-N 3.45Å
181	S	97.1	Very high	98.4	Very high	138 Å²	138	39.7 Å²	39.7	97%	0.965	22%	0.222	S	C	*	.	S	Bend	trans	-71.4	85.3	178.4	179.2	0	0	0	0	111.6
182	T	97.6	Very high	98.4	Very high	51 Å²	51	41.4 Å²	41.4	31%	0.313	23%	0.231	S	C	.	.			trans	-148.2	158.3	178.9	-174	0	0	0	0	111.1	S177 I180 S184	S177-T182 VanDerWaalsContact CB-O 3.28Å; S177-T182 WeakPolarHBondContact CB-O 3.44Å; I180-T182 HydrophobicContact CD1-CG2 4.15Å; I180-T182 HydrophobicContact CG1-CG2 3.79Å; I180-T182 PolarHBondContact O-N 3.45Å; T182-S184 PolarHBondContact OG1-N 2.87Å
183	Q	97.5	Very high	98.4	Very high	144 Å²	144	40.7 Å²	40.7	67%	0.673	23%	0.225	S	C	*	.			trans	-87.2	-6.6	170.2	-65	-58.7	-49.5	0	0	112.9	G186	Q183-G186 VanDerWaalsContact O-CA 3.25Å; Q183-G186 WeakPolarHBondContact O-CA 3.28Å; Q183-G186 PolarHBondContact O-N 3.46Å
184	S	98.6	Very high	98.4	Very high	7 Å²	7	43.9 Å²	43.9	5%	0.049	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	133.7	-179.8	177	0	0	0	0	111.9	H67 H68 S177 T182	H67-S184 WeakPolarHBondContact CA-OG 3.35Å; H67-S184 WeakPolarHBondContact CB-OG 3.35Å; H67-S184 PolarHBondContact ND1-OG 3.24Å; H68-S184 PolarHBondContact N-OG 3.07Å; H68-S184 WeakPolarHBondContact NE2-CA 3.42Å; S177-S184 VanDerWaalsContact CB-O 3.29Å; S177-S184 WeakPolarHBondContact CB-O 3.43Å; S177-S184 PolarHBondContact N-O 3.43Å; S177-S184 PolarHBondContact OG-O 3.19Å; T182-S184 PolarHBondContact OG1-N 2.87Å
185	P	98.7	Very high	98.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	cis	-93.2	16.9	13.8	38.5	-40.1	0	0	0	115.4	I66 H68 A175 L189 I193	I66-P185 HydrophobicContact CG2-CB 3.98Å; I66-P185 HydrophobicContact CG2-CG 4.21Å; H68-P185 WeakPolarHBondContact CB-O 3.49Å; H68-P185 VanDerWaalsContact CG-C 3.45Å; H68-P185 PolarHBondContact ND1-O 3.25Å; A175-P185 HydrophobicContact CB-CG 4.43Å; P185-L189 HydrophobicContact CB-CB 4.38Å; P185-L189 HydrophobicContact CB-CD2 3.73Å; P185-L189 HydrophobicContact CB-CG 3.97Å; P185-L189 HydrophobicContact CG-CB 4.36Å; P185-L189 HydrophobicContact CG-CD2 4.38Å; P185-L189 HydrophobicContact CG-CG 4.06Å; P185-I193 HydrophobicContact CG-CD1 4.07Å
186	G	98.6	Very high	98.3	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.01	28%	0.278	C	S	.	.			trans	93.8	142.3	-170.7	0	0	0	0	0	110.8	H68 F141 Q183 T188 L189 Y190	H68-G186 PolarHBondContact CE1-N 2.84Å; H68-G186 PolarHBondContact ND1-N 3.16Å; F141-G186 CarbonylContact O-C 3.34Å; F141-G186 WeakPolarHBondContact O-CA 3.25Å; Q183-G186 VanDerWaalsContact O-CA 3.25Å; Q183-G186 WeakPolarHBondContact O-CA 3.28Å; Q183-G186 PolarHBondContact O-N 3.46Å; G186-T188 VanDerWaalsContact C-N 3.32Å; G186-T188 PolarHBondContact O-N 2.96Å; G186-L189 PolarHBondContact O-N 3Å; G186-Y190 VanDerWaalsContact O-CB 3.29Å; G186-Y190 WeakPolarHBondContact O-CB 3.45Å; G186-Y190 PolarHBondContact O-N 2.97Å
187	L	98.6	Very high	98.3	Very high	100 Å²	100	56.4 Å²	56.4	52%	0.524	31%	0.306	S	S	.	.	H	α-helix	trans	-57	-41.6	-170.8	-179.8	60.7	0	0	0	113.3	Y190 N191	L187-Y190 WeakPolarHBondContact O-CB 3.39Å; L187-Y190 PolarHBondContact O-N 3.01Å; L187-N191 VanDerWaalsContact O-CG 3.27Å; L187-N191 PolarHBondContact O-N 2.81Å; L187-N191 PolarHBondContact O-ND2 3.24Å
188	T	98.8	Very high	98.3	Very high	43 Å²	43	58 Å²	58	26%	0.264	31%	0.308	S	S	.	.	H	α-helix	trans	-67.8	-44.6	-179.3	-58.3	0	0	0	0	111.4	F141 V142 D143 K144 L145 G186 N191 E192	F141-T188 PolarHBondContact O-N 3.11Å; V142-T188 WeakPolarHBondContact O-CB 3.48Å; V142-T188 PolarHBondContact O-N 3.24Å; V142-T188 PolarHBondContact O-OG1 3.05Å; D143-T188 WeakPolarHBondContact CA-OG1 3.37Å; K144-T188 PolarHBondContact N-OG1 3.24Å; L145-T188 HydrophobicContact CD2-CG2 3.76Å; L145-T188 HydrophobicContact CG-CG2 3.71Å; G186-T188 VanDerWaalsContact C-N 3.32Å; G186-T188 PolarHBondContact O-N 2.96Å; T188-N191 PolarHBondContact O-N 3.14Å; T188-E192 PolarHBondContact O-N 3.37Å
189	L	98.8	Very high	98.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-68.9	-34.4	174.9	178.8	54.8	0	0	0	112.5	I66 F137 F141 P146 L151 P185 G186 N191 E192 I193	I66-L189 HydrophobicContact CG2-CD2 4.34Å; F137-L189 HydrophobicContact CB-CD2 4.14Å; F137-L189 HydrophobicContact CD2-CD2 3.53Å; F137-L189 HydrophobicContact CE2-CD1 4.35Å; F137-L189 HydrophobicContact CE2-CD2 4.1Å; F137-L189 HydrophobicContact CG-CD2 3.93Å; F141-L189 HydrophobicContact CB-CB 3.73Å; F141-L189 HydrophobicContact CB-CD2 4.18Å; F141-L189 HydrophobicContact CD2-CD2 3.99Å; F141-L189 HydrophobicContact CG-CD2 4.3Å; F141-L189 PolarHBondContact O-N 2.83Å; P146-L189 HydrophobicContact CG-CD1 4.03Å; P146-L189 HydrophobicContact CG-CD2 3.94Å; L151-L189 HydrophobicContact CD2-CD1 3.95Å; P185-L189 HydrophobicContact CB-CB 4.38Å; P185-L189 HydrophobicContact CB-CD2 3.73Å; P185-L189 HydrophobicContact CB-CG 3.97Å; P185-L189 HydrophobicContact CG-CB 4.36Å; P185-L189 HydrophobicContact CG-CD2 4.38Å; P185-L189 HydrophobicContact CG-CG 4.06Å; G186-L189 PolarHBondContact O-N 3Å; L189-N191 VanDerWaalsContact C-N 3.28Å; L189-N191 PolarHBondContact O-N 2.74Å; L189-E192 PolarHBondContact O-N 2.9Å; L189-I193 HydrophobicContact CD1-CG2 3.89Å; L189-I193 HydrophobicContact CG-CG2 4.46Å; L189-I193 PolarHBondContact O-N 3.49Å; L189-I193 VanDerWaalsContact O-N 3.07Å
190	Y	98.8	Very high	98.4	Very high	56 Å²	56	59.2 Å²	59.2	22%	0.22	31%	0.311	C	S	.	.	H	α-helix	trans	-58	-40.5	172.5	176.1	-89.6	0	0	0	111.9	A175 S177 Q178 G186 L187 I193 Q194 W199	A175-Y190 HydrophobicContact CB-CD2 3.49Å; A175-Y190 VanDerWaalsContact CB-CD2 3.49Å; A175-Y190 HydrophobicContact CB-CE2 3.72Å; S177-Y190 WeakPolarHBondContact OG-CD2 3.37Å; Q178-Y190 HydrophobicContact CG-CE2 4.02Å; G186-Y190 VanDerWaalsContact O-CB 3.29Å; G186-Y190 WeakPolarHBondContact O-CB 3.45Å; G186-Y190 PolarHBondContact O-N 2.97Å; L187-Y190 WeakPolarHBondContact O-CB 3.39Å; L187-Y190 PolarHBondContact O-N 3.01Å; Y190-I193 WeakPolarHBondContact O-CG1 3.17Å; Y190-Q194 VanDerWaalsContact CD1-NE2 3.3Å; Y190-Q194 WeakPolarHBondContact O-CG 2.86Å; Y190-Q194 PolarHBondContact O-NE2 3.41Å; Y190-W199 HydrophobicContact CD2-CH2 4.45Å; Y190-W199 AromaticContact CE2-CH2 3.81Å; Y190-W199 HydrophobicContact CE2-CH2 3.81Å; Y190-W199 HydrophobicContact CE2-CZ2 4.38Å
191	N	98.7	Very high	98.3	Very high	85 Å²	85	61 Å²	61	46%	0.455	33%	0.328	S	S	.	.	H	α-helix	trans	-67.9	-39.3	176.4	-68.7	-19	0	0	0	112.5	L187 T188 L189 Q194	L187-N191 VanDerWaalsContact O-CG 3.27Å; L187-N191 PolarHBondContact O-N 2.81Å; L187-N191 PolarHBondContact O-ND2 3.24Å; T188-N191 PolarHBondContact O-N 3.14Å; L189-N191 VanDerWaalsContact C-N 3.28Å; L189-N191 PolarHBondContact O-N 2.74Å; N191-Q194 PolarHBondContact OD1-NE2 3.4Å
192	E	98.8	Very high	98.2	Very high	48 Å²	48	61.2 Å²	61.2	22%	0.224	32%	0.318	C	S	.	.	H	α-helix	trans	-64.3	-46.1	177.5	166.2	64.1	-156.2	0	0	112.7	L145 L151 K155 T188 L189 Q194 E195 W196	L145-E192 HydrophobicContact CD2-CB 3.52Å; L145-E192 HydrophobicContact CD2-CG 4.05Å; L151-E192 HydrophobicContact CD1-CG 4.29Å; L151-E192 HydrophobicContact CD2-CG 4.15Å; K155-E192 IonicContact NZ-OE1 3.23Å; K155-E192 PolarHBondContact NZ-OE1 2.79Å; T188-E192 PolarHBondContact O-N 3.37Å; L189-E192 PolarHBondContact O-N 2.9Å; E192-Q194 PolarHBondContact O-N 3.32Å; E192-E195 PolarHBondContact O-N 3.28Å; E192-E195 VanDerWaalsContact O-N 3.16Å; E192-W196 HydrophobicContact CG-CZ2 4.43Å; E192-W196 VanDerWaalsContact O-CD1 3.31Å; E192-W196 PolarHBondContact OE1-NE1 3.17Å
193	I	98.6	Very high	98	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-71.7	-14.1	-174.7	65.3	176.8	0	0	0	113.8	I66 L173 A175 P185 L189 Y190 E195 W196 W199	I66-I193 HydrophobicContact CB-CD1 3.81Å; I66-I193 HydrophobicContact CG1-CD1 4.1Å; I66-I193 HydrophobicContact CG1-CG2 4.45Å; I66-I193 HydrophobicContact CG2-CD1 4.16Å; I66-I193 HydrophobicContact CG2-CG2 4.29Å; L173-I193 HydrophobicContact CD2-CB 4.39Å; A175-I193 HydrophobicContact CB-CD1 3.98Å; P185-I193 HydrophobicContact CG-CD1 4.07Å; L189-I193 HydrophobicContact CD1-CG2 3.89Å; L189-I193 HydrophobicContact CG-CG2 4.46Å; L189-I193 PolarHBondContact O-N 3.49Å; L189-I193 VanDerWaalsContact O-N 3.07Å; Y190-I193 WeakPolarHBondContact O-CG1 3.17Å; I193-E195 PolarHBondContact O-N 3.39Å; I193-W196 HydrophobicContact CB-CD2 4.34Å; I193-W196 HydrophobicContact CG2-CD2 4.1Å; I193-W196 HydrophobicContact CG2-CE3 4.21Å; I193-W196 HydrophobicContact CG2-CH2 4.14Å; I193-W196 HydrophobicContact CG2-CZ2 4.04Å; I193-W196 HydrophobicContact CG2-CZ3 4.22Å; I193-W196 WeakPolarHBondContact O-CB 3.42Å; I193-W196 PolarHBondContact O-N 3.03Å; I193-W199 HydrophobicContact CD1-CZ3 3.89Å; I193-W199 HydrophobicContact CG1-CE3 4.32Å; I193-W199 HydrophobicContact CG1-CZ3 3.88Å
194	Q	98.6	Very high	98	Very high	67 Å²	67	57.7 Å²	57.7	31%	0.313	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.6	172	-79.6	175.2	88.8	0	0	112.6	Y190 N191 E192 W196 W199	Y190-Q194 VanDerWaalsContact CD1-NE2 3.3Å; Y190-Q194 WeakPolarHBondContact O-CG 2.86Å; Y190-Q194 PolarHBondContact O-NE2 3.41Å; N191-Q194 PolarHBondContact OD1-NE2 3.4Å; E192-Q194 PolarHBondContact O-N 3.32Å; Q194-W196 VanDerWaalsContact C-N 3.3Å; Q194-W199 HydrophobicContact CB-CD2 4.44Å; Q194-W199 HydrophobicContact CG-CD2 4.05Å; Q194-W199 VanDerWaalsContact CG-CE2 3.45Å; Q194-W199 HydrophobicContact CG-CH2 3.96Å; Q194-W199 HydrophobicContact CG-CZ2 3.41Å; Q194-W199 VanDerWaalsContact CG-CZ2 3.41Å
195	E	98.4	Very high	98	Very high	161 Å²	161	60.3 Å²	60.3	75%	0.752	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-1.1	179.4	-57.5	-58	139	0	0	112.5	E192 I193	E192-E195 PolarHBondContact O-N 3.28Å; E192-E195 VanDerWaalsContact O-N 3.16Å; I193-E195 PolarHBondContact O-N 3.39Å
196	W	98.5	Very high	98	Very high	12 Å²	12	63.7 Å²	63.7	5%	0.045	34%	0.337	C	S	.	.	S	Bend	trans	-82.3	151.9	-178.7	-69.9	17.5	0	0	0	111.3	F137 L151 A154 K155 L158 L173 E192 I193 Q194 W199	F137-W196 HydrophobicContact CE2-CH2 4.45Å; F137-W196 HydrophobicContact CZ-CH2 4.04Å; L151-W196 HydrophobicContact CB-CZ2 4.42Å; L151-W196 HydrophobicContact CD2-CZ2 3.93Å; A154-W196 HydrophobicContact CB-CH2 3.67Å; A154-W196 HydrophobicContact CB-CZ3 4.01Å; K155-W196 HydrophobicContact CG-CD2 4.41Å; K155-W196 HydrophobicContact CG-CE3 4.49Å; K155-W196 HydrophobicContact CG-CH2 4.45Å; K155-W196 HydrophobicContact CG-CZ2 4.35Å; L158-W196 HydrophobicContact CD1-CE3 4.18Å; L158-W196 HydrophobicContact CD1-CZ3 4.11Å; L173-W196 HydrophobicContact CD2-CB 3.59Å; L173-W196 HydrophobicContact CD2-CD2 4.24Å; L173-W196 HydrophobicContact CD2-CE3 3.71Å; L173-W196 HydrophobicContact CD2-CG 4.26Å; E192-W196 HydrophobicContact CG-CZ2 4.43Å; E192-W196 VanDerWaalsContact O-CD1 3.31Å; E192-W196 PolarHBondContact OE1-NE1 3.17Å; I193-W196 HydrophobicContact CB-CD2 4.34Å; I193-W196 HydrophobicContact CG2-CD2 4.1Å; I193-W196 HydrophobicContact CG2-CE3 4.21Å; I193-W196 HydrophobicContact CG2-CH2 4.14Å; I193-W196 HydrophobicContact CG2-CZ2 4.04Å; I193-W196 HydrophobicContact CG2-CZ3 4.22Å; I193-W196 WeakPolarHBondContact O-CB 3.42Å; I193-W196 PolarHBondContact O-N 3.03Å; Q194-W196 VanDerWaalsContact C-N 3.3Å; W196-W199 WeakPolarHBondContact O-CB 3.43Å; W196-W199 PolarHBondContact O-N 2.95Å
197	P	97.8	Very high	97.9	Very high	90 Å²	90	67.4 Å²	67.4	58%	0.584	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	149.8	167	-24.7	35.1	0	0	0	110.9	W199	P197-W199 PolarHBondContact O-N 3.34Å
198	H	98.5	Very high	97.9	Very high	75 Å²	75	65.3 Å²	65.3	35%	0.347	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	4.2	178.5	-55.7	-81.7	0	0	0	116.1	E169 Y171 L173 L200	E169-H198 PolarHBondContact O-CE1 2.71Å; Y171-H198 HydrophobicContact CD1-CB 4.5Å; Y171-H198 AromaticContact CD1-CG 3.93Å; Y171-H198 AromaticContact CD1-ND1 3.94Å; Y171-H198 HydrophobicContact CD2-CB 4.11Å; Y171-H198 HydrophobicContact CE1-CB 4.14Å; Y171-H198 AromaticContact CE1-CD2 3.3Å; Y171-H198 WeakPolarHBondContact CE1-CD2 3.29Å; Y171-H198 AromaticContact CE1-CE1 3.95Å; Y171-H198 AromaticContact CE1-CG 3.51Å; Y171-H198 AromaticContact CE1-ND1 3.89Å; Y171-H198 AromaticContact CE1-NE2 3.63Å; Y171-H198 HydrophobicContact CE2-CB 3.71Å; Y171-H198 HydrophobicContact CG-CB 4.5Å; Y171-H198 AromaticContact CZ-CD2 3.4Å; Y171-H198 AromaticContact CZ-CG 3.55Å; Y171-H198 VanDerWaalsContact O-CB 3.26Å; Y171-H198 WeakPolarHBondContact O-CB 3.45Å; Y171-H198 PolarHBondContact O-ND1 3.18Å; Y171-H198 PolarHBondContact OH-CD2 3.15Å; L173-H198 HydrophobicContact CB-CB 4.18Å; L173-H198 WeakPolarHBondContact CB-O 3.48Å; L173-H198 PolarHBondContact N-O 3.25Å; H198-L200 PolarHBondContact O-N 3.23Å
199	W	98.7	Very high	97.8	Very high	49 Å²	49	66.8 Å²	66.8	19%	0.186	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-54.7	124.6	173.5	174.3	-111.4	0	0	0	111.8	L173 A175 Q178 Y190 I193 Q194 W196 P197	L173-W199 WeakPolarHBondContact O-CA 3.22Å; A175-W199 HydrophobicContact CB-CH2 4.25Å; A175-W199 HydrophobicContact CB-CZ3 4.34Å; Q178-W199 HydrophobicContact CG-CH2 4.23Å; Q178-W199 VanDerWaalsContact OE1-CZ3 3.31Å; Y190-W199 HydrophobicContact CD2-CH2 4.45Å; Y190-W199 AromaticContact CE2-CH2 3.81Å; Y190-W199 HydrophobicContact CE2-CH2 3.81Å; Y190-W199 HydrophobicContact CE2-CZ2 4.38Å; I193-W199 HydrophobicContact CD1-CZ3 3.89Å; I193-W199 HydrophobicContact CG1-CE3 4.32Å; I193-W199 HydrophobicContact CG1-CZ3 3.88Å; Q194-W199 HydrophobicContact CB-CD2 4.44Å; Q194-W199 HydrophobicContact CG-CD2 4.05Å; Q194-W199 VanDerWaalsContact CG-CE2 3.45Å; Q194-W199 HydrophobicContact CG-CH2 3.96Å; Q194-W199 HydrophobicContact CG-CZ2 3.41Å; Q194-W199 VanDerWaalsContact CG-CZ2 3.41Å; W196-W199 WeakPolarHBondContact O-CB 3.43Å; W196-W199 PolarHBondContact O-N 2.95Å; P197-W199 PolarHBondContact O-N 3.34Å
200	L	98.6	Very high	97.8	Very high	61 Å²	61	71.6 Å²	71.6	32%	0.319	38%	0.376	S	S	.	.			trans	-109.5	109.1	174.6	178.9	60.2	0	0	0	109.3	A172 L173 I174 Q178 H198 N202 P203	A172-L200 HydrophobicContact CB-CB 4Å; A172-L200 HydrophobicContact CB-CD2 3.71Å; L173-L200 PolarHBondContact O-N 3.32Å; I174-L200 HydrophobicContact CG2-CB 3.96Å; Q178-L200 PolarHBondContact NE2-O 3.23Å; H198-L200 PolarHBondContact O-N 3.23Å; L200-N202 PolarHBondContact O-N 3.44Å; L200-P203 HydrophobicContact CD2-CB 3.85Å; L200-P203 HydrophobicContact CG-CB 4.21Å
201	S	96.8	Very high	97.7	Very high	93 Å²	93	72.8 Å²	72.8	65%	0.65	39%	0.388	S	S	*	.	S	Bend	trans	-70.3	-30.7	-173.2	56.1	0	0	0	0	114.5	Q178	Q178-S201 PolarHBondContact NE2-O 2.59Å
202	N	94.6	Very high	97.6	Very high	142 Å²	142	71.8 Å²	71.8	76%	0.759	38%	0.383	S	S	*	.			trans	-134.8	78	-178.7	-171.5	77	0	0	0	111	L200	L200-N202 PolarHBondContact O-N 3.44Å
203	P	93.1	Very high	97.5	Very high	63 Å²	63	73.9 Å²	73.9	41%	0.409	40%	0.397	S	S	.	.			trans	-73.6	0	-177.9	31.8	-36.6	0	0	0	115.1	I174 Q178 V179 L200	I174-P203 HydrophobicContact CG2-CB 3.78Å; I174-P203 HydrophobicContact CG2-CG 3.97Å; Q178-P203 HydrophobicContact CB-CG 3.84Å; V179-P203 HydrophobicContact CG1-CB 4.23Å; V179-P203 HydrophobicContact CG1-CG 3.66Å; L200-P203 HydrophobicContact CD2-CB 3.85Å; L200-P203 HydrophobicContact CG-CB 4.21Å

Retrieved 203 of 203 residues in 130.6 ms (Link to these results)

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