X2JD06_DROME Loading...

Thymidylate synthase

AlphaFold DB (O76511), UniProt , Accession X2JD06, Species DROME (Drosophila melanogaster, Fruit fly), Gene Ts, Length 321 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	40.5	Very low	44.6	Very low	237 Å²	237	148.6 Å²	148.6	100%	1.167	85%	0.851	S	S	*	*				0	84.5	0	-153.7	168	-179.3	0	0	106.9
2	V	41.3	Very low	44.9	Very low	124 Å²	124	152.5 Å²	152.5	75%	0.752	86%	0.856	S	S	*	*				74.2	90.2	124.6	-169	0	0	0	0	112.6
3	L	38.3	Very low	44.8	Very low	159 Å²	159	155.5 Å²	155.5	83%	0.832	86%	0.859	S	S	*	*				72.5	118.2	81.3	-71.6	169.9	0	0	0	114.4
4	T	52	Low	45.1	Very low	144 Å²	144	152.1 Å²	152.1	88%	0.883	85%	0.852	S	S	*	*			trans	-156.1	152.8	140.6	32.4	0	0	0	0	110.9
5	P	46.9	Very low	45.5	Very low	119 Å²	119	153.7 Å²	153.7	77%	0.773	85%	0.852	S	S	*	*			trans	-120.6	168.9	-140.8	32.6	-14.3	0	0	0	116.3
6	T	39.2	Very low	45.8	Very low	127 Å²	127	151.6 Å²	151.6	78%	0.779	85%	0.848	S	S	*	*			trans	-61.7	153.9	170.5	45.8	0	0	0	0	115.1
7	K	49.5	Very low	46.1	Very low	208 Å²	208	152.5 Å²	152.5	90%	0.904	85%	0.849	S	S	*	*			trans	-163.3	146.1	140.7	-111.3	-179	-174.2	-172.4	0	113.2
8	D	46.9	Very low	46.4	Very low	160 Å²	160	150.7 Å²	150.7	86%	0.856	85%	0.846	S	S	*	*			trans	-88	159.7	-160.6	-57.7	-71.4	0	0	0	117.2
9	G	46.1	Very low	46.4	Very low	72 Å²	72	147.3 Å²	147.3	74%	0.742	84%	0.839	S	S	*	*			trans	104.6	157.5	130.9	0	0	0	0	0	118
10	P	45.4	Very low	46.5	Very low	127 Å²	127	148 Å²	148	83%	0.825	84%	0.84	S	S	*	*			cis	-133.8	179.5	-14.7	38	-18.3	0	0	0	114.6
11	D	44.6	Very low	46.5	Very low	158 Å²	158	147.7 Å²	147.7	85%	0.845	84%	0.836	S	S	*	*			trans	-55.8	143.2	-172.3	-57	-63.1	0	0	0	117.3
12	Q	48.7	Very low	46.4	Very low	195 Å²	195	139.8 Å²	139.8	91%	0.911	82%	0.815	S	S	*	*			trans	-130	111.5	153.9	-84.3	-169.2	-26.1	0	0	109.7
13	E	43.1	Very low	46.4	Very low	191 Å²	191	142.9 Å²	142.9	89%	0.893	82%	0.822	S	S	*	*			trans	-63.7	134.9	164	-68.8	177.3	139.8	0	0	110.3
14	S	48.9	Very low	46.7	Very low	109 Å²	109	140.4 Å²	140.4	76%	0.762	82%	0.817	S	S	*	*			trans	-173.3	114.5	135.4	39.1	0	0	0	0	114.2
15	M	51.1	Low	46.3	Very low	175 Å²	175	139.4 Å²	139.4	86%	0.862	81%	0.814	S	S	*	*			trans	79.3	129.4	140.2	-61.5	-168.2	71.6	0	0	120.2
16	P	50.3	Low	45.9	Very low	120 Å²	120	138.7 Å²	138.7	78%	0.779	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-78.4	130.6	179.5	33.1	-31.7	0	0	0	110.3
17	L	50.3	Low	46.1	Very low	167 Å²	167	142.1 Å²	142.1	87%	0.874	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-68.1	131.6	168.9	-76.8	162.6	0	0	0	109.4
18	P	51.7	Low	45.6	Very low	120 Å²	120	141 Å²	141	78%	0.779	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-69.8	149.2	178.5	22.9	-21.7	0	0	0	111.1	D20	P18-D20 PolarHBondContact O-N 3.43Å
19	A	47.6	Very low	45.8	Very low	87 Å²	87	142.1 Å²	142.1	72%	0.719	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-48.2	127.6	-175.5	0	0	0	0	0	113.2	N21	A19-N21 PolarHBondContact O-N 3.18Å
20	D	47.6	Very low	46.3	Very low	160 Å²	160	142 Å²	142	86%	0.856	81%	0.806	S	S	*	*			trans	-59.5	113.5	166.5	-170	15.1	0	0	0	108.6	P18 G22	P18-D20 PolarHBondContact O-N 3.43Å; D20-G22 PolarHBondContact O-N 2.84Å
21	N	47.6	Very low	47.2	Very low	143 Å²	143	141.6 Å²	141.6	77%	0.765	80%	0.803	S	S	*	*			trans	-66.3	101.3	175.8	-78	-38.4	0	0	0	107.4	A19 E23	A19-N21 PolarHBondContact O-N 3.18Å; N21-E23 PolarHBondContact O-N 2.98Å
22	G	38.1	Very low	48.8	Very low	71 Å²	71	138 Å²	138	73%	0.732	79%	0.787	S	S	*	*			trans	-50.1	101.2	177.4	0	0	0	0	0	111.8	D20 S24	D20-G22 PolarHBondContact O-N 2.84Å; G22-S24 PolarHBondContact O-N 3.15Å; G22-S24 VanDerWaalsContact O-N 3.15Å
23	E	41.5	Very low	50.8	Low	189 Å²	189	129.6 Å²	129.6	88%	0.883	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-58.4	116.9	161.5	-79.6	-173.3	154.3	0	0	107.3	N21	N21-E23 PolarHBondContact O-N 2.98Å
24	S	44	Very low	53.1	Low	106 Å²	106	130.1 Å²	130.1	74%	0.741	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-55.4	133.8	171.5	-55.5	0	0	0	0	108.2	G22 S26	G22-S24 PolarHBondContact O-N 3.15Å; G22-S24 VanDerWaalsContact O-N 3.15Å; S24-S26 PolarHBondContact O-N 2.65Å
25	P	43.6	Very low	55.4	Low	124 Å²	124	126.5 Å²	126.5	81%	0.805	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-58.7	118.6	176.8	11.8	-11.4	0	0	0	107.2	K27	P25-K27 PolarHBondContact O-N 2.96Å; P25-K27 VanDerWaalsContact O-N 3.1Å
26	S	39.1	Very low	57.7	Low	103 Å²	103	118.1 Å²	118.1	72%	0.72	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-48	124.3	170.9	60.9	0	0	0	0	106.9	S24 Q28	S24-S26 PolarHBondContact O-N 2.65Å; S26-Q28 VanDerWaalsContact C-N 3.26Å; S26-Q28 PolarHBondContact O-N 2.81Å
27	K	42.3	Very low	59.9	Low	200 Å²	200	114.4 Å²	114.4	87%	0.87	65%	0.645	S	S	*	*			trans	-56.9	98.8	173.5	-78.1	178.7	177.2	176.4	0	106.2	P25 Q29	P25-K27 PolarHBondContact O-N 2.96Å; P25-K27 VanDerWaalsContact O-N 3.1Å; K27-Q29 PolarHBondContact O-N 3.5Å
28	Q	40.1	Very low	62.1	Low	185 Å²	185	110.4 Å²	110.4	86%	0.864	62%	0.622	S	S	*	*			trans	-52.4	108.6	169.1	-79.1	177.4	-10.4	0	0	105.6	S26 A30	S26-Q28 VanDerWaalsContact C-N 3.26Å; S26-Q28 PolarHBondContact O-N 2.81Å; Q28-A30 PolarHBondContact O-N 2.7Å; Q28-A30 VanDerWaalsContact O-N 3.09Å
29	Q	50.6	Low	64.3	Low	182 Å²	182	104.7 Å²	104.7	85%	0.85	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-56.2	121.7	176.3	-79	177	-3.4	0	0	106.3	K27	K27-Q29 PolarHBondContact O-N 3.5Å
30	A	56.1	Low	66.8	Low	71 Å²	71	100.6 Å²	100.6	59%	0.587	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-51.8	139.8	176	0	0	0	0	0	108.5	Q28 V32	Q28-A30 PolarHBondContact O-N 2.7Å; Q28-A30 VanDerWaalsContact O-N 3.09Å; A30-V32 PolarHBondContact O-N 3.27Å; A30-V32 VanDerWaalsContact O-N 3.12Å
31	P	64.4	Low	69.2	Low	118 Å²	118	96.7 Å²	96.7	77%	0.766	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-53.3	125	-179.4	20.8	-31.6	0	0	0	109.4	N33	P31-N33 PolarHBondContact O-N 2.82Å
32	V	77.8	Confident	71.6	Confident	83 Å²	83	90.9 Å²	90.9	50%	0.503	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-58.3	126.8	179.9	179	0	0	0	0	108.5	A30 R34 M37	A30-V32 PolarHBondContact O-N 3.27Å; A30-V32 VanDerWaalsContact O-N 3.12Å; V32-R34 VanDerWaalsContact C-N 3.31Å; V32-R34 PolarHBondContact O-N 3.11Å; V32-M37 HydrophobicContact CG1-CG 3.67Å; V32-M37 HydrophobicContact CG1-SD 4.31Å
33	N	90.9	Very high	74.4	Confident	18 Å²	18	87.5 Å²	87.5	10%	0.096	46%	0.464	C	S	.	.			trans	-65.9	90.9	173.3	-178.7	-11.2	0	0	0	109.1	P31 D35 E36 M37 P281 R282 F284	P31-N33 PolarHBondContact O-N 2.82Å; N33-D35 PolarHBondContact O-N 3.39Å; N33-D35 PolarHBondContact OD1-N 3.12Å; N33-E36 HydrophobicContact CB-CB 4.23Å; N33-E36 PolarHBondContact O-N 3.36Å; N33-E36 PolarHBondContact OD1-N 3.09Å; N33-E36 VanDerWaalsContact OD1-N 3.11Å; N33-M37 WeakPolarHBondContact O-CG 3.27Å; N33-M37 PolarHBondContact O-N 3.19Å; N33-M37 VanDerWaalsContact O-N 3.12Å; N33-P281 HydrophobicContact CB-CB 3.82Å; N33-R282 PolarHBondContact ND2-O 2.8Å; N33-F284 VanDerWaalsContact ND2-CD1 3.29Å; N33-F284 WeakPolarHBondContact ND2-CD1 3.43Å; N33-F284 WeakPolarHBondContact ND2-CD2 3.35Å; N33-F284 WeakPolarHBondContact ND2-CE1 3.41Å; N33-F284 VanDerWaalsContact ND2-CG 3.31Å; N33-F284 WeakPolarHBondContact ND2-CG 3.35Å; N33-F284 WeakPolarHBondContact OD1-CE2 3.47Å
34	R	92.7	Very high	77.2	Confident	201 Å²	201	82.8 Å²	82.8	76%	0.758	44%	0.438	S	S	*	.	H	α-helix	trans	-62	-34.2	-174.7	-68.2	-174	177.3	-177.4	-1.6	112.4	V32 M37 H38	V32-R34 VanDerWaalsContact C-N 3.31Å; V32-R34 PolarHBondContact O-N 3.11Å; R34-M37 WeakPolarHBondContact O-CB 2.77Å; R34-M37 PolarHBondContact O-N 2.85Å; R34-H38 PolarHBondContact O-N 3.09Å
35	D	96.8	Very high	79.7	Confident	33 Å²	33	82.1 Å²	82.1	18%	0.176	42%	0.423	C	S	.	.	H	α-helix	trans	-70.1	-41.5	-178.8	-69.8	17.2	0	0	0	111.2	N33 M37 H38 F71 D72 F284	N33-D35 PolarHBondContact O-N 3.39Å; N33-D35 PolarHBondContact OD1-N 3.12Å; D35-M37 VanDerWaalsContact C-N 3.27Å; D35-M37 PolarHBondContact O-N 2.92Å; D35-H38 WeakPolarHBondContact O-CB 3.33Å; D35-H38 PolarHBondContact O-N 2.87Å; D35-F71 HydrophobicContact CB-CD1 4Å; D35-F71 WeakPolarHBondContact O-CE1 2.91Å; D35-F71 WeakPolarHBondContact OD2-CA 3.36Å; D35-D72 PolarHBondContact OD2-N 3.24Å; D35-F284 HydrophobicContact CB-CD2 4.43Å; D35-F284 HydrophobicContact CB-CE2 3.64Å; D35-F284 HydrophobicContact CB-CZ 4.48Å
36	E	98.2	Very high	82.4	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-65.9	-30.9	171.6	-173.6	157.7	-178.2	0	0	112.2	N33 H38 Y39 L40 L80 T81 T82 P281 F284	N33-E36 HydrophobicContact CB-CB 4.23Å; N33-E36 PolarHBondContact O-N 3.36Å; N33-E36 PolarHBondContact OD1-N 3.09Å; N33-E36 VanDerWaalsContact OD1-N 3.11Å; E36-H38 VanDerWaalsContact C-N 3.25Å; E36-H38 PolarHBondContact O-N 2.73Å; E36-Y39 PolarHBondContact O-N 2.82Å; E36-Y39 VanDerWaalsContact O-N 3.14Å; E36-L40 HydrophobicContact CG-CD1 4.3Å; E36-L40 HydrophobicContact CG-CG 4.42Å; E36-L40 PolarHBondContact O-N 2.87Å; E36-L80 HydrophobicContact CG-CD2 4.09Å; E36-T81 PolarHBondContact OE1-N 3.38Å; E36-T81 WeakPolarHBondContact OE2-CB 3.37Å; E36-T81 PolarHBondContact OE2-N 3.09Å; E36-T81 PolarHBondContact OE2-OG1 3.4Å; E36-T82 WeakPolarHBondContact OE1-CB 3.38Å; E36-T82 WeakPolarHBondContact OE1-CG2 3.22Å; E36-T82 PolarHBondContact OE1-N 3.12Å; E36-T82 PolarHBondContact OE1-OG1 2.82Å; E36-P281 HydrophobicContact CB-CB 4.15Å; E36-P281 HydrophobicContact CB-CG 4.42Å; E36-P281 HydrophobicContact CG-CB 4.13Å; E36-P281 HydrophobicContact CG-CG 4.17Å; E36-F284 HydrophobicContact CB-CE1 3.92Å; E36-F284 HydrophobicContact CB-CE2 4.45Å; E36-F284 HydrophobicContact CB-CZ 3.62Å; E36-F284 HydrophobicContact CG-CE1 4.38Å; E36-F284 HydrophobicContact CG-CZ 4.41Å; E36-F284 WeakPolarHBondContact OE2-CE1 3.39Å
37	M	97.2	Very high	85.2	Confident	41 Å²	41	72.9 Å²	72.9	20%	0.202	36%	0.358	C	S	.	.	H	α-helix	trans	-62.2	-30.8	175.7	-72.5	-62.2	-58.4	0	0	112.8	V32 N33 R34 D35 Y39 L40 D41 R44 P281	V32-M37 HydrophobicContact CG1-CG 3.67Å; V32-M37 HydrophobicContact CG1-SD 4.31Å; N33-M37 WeakPolarHBondContact O-CG 3.27Å; N33-M37 PolarHBondContact O-N 3.19Å; N33-M37 VanDerWaalsContact O-N 3.12Å; R34-M37 WeakPolarHBondContact O-CB 2.77Å; R34-M37 PolarHBondContact O-N 2.85Å; D35-M37 VanDerWaalsContact C-N 3.27Å; D35-M37 PolarHBondContact O-N 2.92Å; M37-Y39 VanDerWaalsContact C-N 3.27Å; M37-Y39 PolarHBondContact O-N 3.07Å; M37-L40 PolarHBondContact O-N 3.32Å; M37-L40 HydrophobicContact SD-CD1 4.02Å; M37-D41 WeakPolarHBondContact CE-OD1 3.43Å; M37-D41 VanDerWaalsContact O-CB 3.29Å; M37-D41 WeakPolarHBondContact O-CB 3.41Å; M37-D41 VanDerWaalsContact O-CG 3.22Å; M37-D41 PolarHBondContact O-N 2.98Å; M37-R44 VanDerWaalsContact CE-NH1 3.31Å; M37-P281 HydrophobicContact SD-CG 3.97Å
38	H	96.9	Very high	87.8	Confident	84 Å²	84	67 Å²	67	39%	0.389	35%	0.347	S	S	.	.	H	α-helix	trans	-57.3	-41.2	173.3	-67.1	-49.1	0	0	0	112.7	R34 D35 E36 L42 M69 R70	R34-H38 PolarHBondContact O-N 3.09Å; D35-H38 WeakPolarHBondContact O-CB 3.33Å; D35-H38 PolarHBondContact O-N 2.87Å; E36-H38 VanDerWaalsContact C-N 3.25Å; E36-H38 PolarHBondContact O-N 2.73Å; H38-L42 WeakPolarHBondContact O-CB 3.38Å; H38-L42 PolarHBondContact O-N 3.42Å; H38-M69 HydrophobicContact CB-CB 4.22Å; H38-M69 HydrophobicContact CB-CG 4.2Å; H38-R70 PolarHBondContact CD2-O 3.41Å; H38-R70 VanDerWaalsContact CD2-O 3.25Å
39	Y	98.4	Very high	90.6	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-69	-44	176	168.1	-95.1	0	0	0	111.9	E36 M37 L42 L43 M69 L80 K83 M227 V231 P232 I235	E36-Y39 PolarHBondContact O-N 2.82Å; E36-Y39 VanDerWaalsContact O-N 3.14Å; M37-Y39 VanDerWaalsContact C-N 3.27Å; M37-Y39 PolarHBondContact O-N 3.07Å; Y39-L42 PolarHBondContact O-N 3.1Å; Y39-L43 HydrophobicContact CD1-CD1 4.04Å; Y39-L43 HydrophobicContact CE1-CD1 3.31Å; Y39-L43 HydrophobicContact CE1-CG 4.13Å; Y39-L43 HydrophobicContact CE2-CD1 4.32Å; Y39-L43 HydrophobicContact CE2-CG 4.39Å; Y39-L43 PolarHBondContact O-N 3.17Å; Y39-M69 VanDerWaalsContact CA-SD 3.54Å; Y39-M69 HydrophobicContact CD2-SD 4.31Å; Y39-L80 HydrophobicContact CD1-CD1 3.75Å; Y39-L80 HydrophobicContact CD1-CD2 4.22Å; Y39-L80 HydrophobicContact CD2-CD1 4.31Å; Y39-L80 HydrophobicContact CE1-CD1 3.52Å; Y39-L80 HydrophobicContact CE2-CD1 4.11Å; Y39-L80 HydrophobicContact CG-CD1 4.13Å; Y39-L80 HydrophobicContact CG-CD2 4.3Å; Y39-K83 PolarHBondContact OH-NZ 2.87Å; Y39-M227 HydrophobicContact CD2-CE 3.55Å; Y39-M227 HydrophobicContact CE2-CE 3.65Å; Y39-M227 WeakPolarHBondContact CE2-O 3.4Å; Y39-M227 HydrophobicContact CG-CE 4.49Å; Y39-M227 PolarHBondContact OH-O 3.34Å; Y39-V231 HydrophobicContact CD2-CG1 4.06Å; Y39-V231 HydrophobicContact CE2-CG1 4.07Å; Y39-P232 HydrophobicContact CE2-CG 4.16Å; Y39-I235 HydrophobicContact CD2-CD1 4.42Å
40	L	98.5	Very high	92.8	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-70.4	-38.7	-178.1	-60.9	177	0	0	0	112.8	E36 M37 L42 L43 R44 T82 L277 P281	E36-L40 HydrophobicContact CG-CD1 4.3Å; E36-L40 HydrophobicContact CG-CG 4.42Å; E36-L40 PolarHBondContact O-N 2.87Å; M37-L40 PolarHBondContact O-N 3.32Å; M37-L40 HydrophobicContact SD-CD1 4.02Å; L40-L42 VanDerWaalsContact C-N 3.32Å; L40-L43 HydrophobicContact CD2-CD1 4.35Å; L40-L43 WeakPolarHBondContact O-CB 3.14Å; L40-L43 PolarHBondContact O-N 3.32Å; L40-R44 WeakPolarHBondContact O-CG 3.28Å; L40-R44 PolarHBondContact O-N 3.39Å; L40-T82 HydrophobicContact CD1-CG2 3.87Å; L40-T82 HydrophobicContact CD2-CG2 4.38Å; L40-L277 HydrophobicContact CB-CD2 4.05Å; L40-L277 HydrophobicContact CD2-CD2 4.11Å; L40-L277 WeakPolarHBondContact O-CD2 3.49Å; L40-P281 HydrophobicContact CD1-CG 3.46Å; L40-P281 VanDerWaalsContact CD1-CG 3.46Å
41	D	98	Very high	94.8	Very high	79 Å²	79	58.4 Å²	58.4	42%	0.422	30%	0.302	S	S	.	.	H	α-helix	trans	-66.5	-38	176.9	-69.7	-23.5	0	0	0	110.9	M37 R44 H45	M37-D41 WeakPolarHBondContact CE-OD1 3.43Å; M37-D41 VanDerWaalsContact O-CB 3.29Å; M37-D41 WeakPolarHBondContact O-CB 3.41Å; M37-D41 VanDerWaalsContact O-CG 3.22Å; M37-D41 PolarHBondContact O-N 2.98Å; D41-R44 PolarHBondContact O-N 2.75Å; D41-R44 IonicContact OD1-CZ 3.1Å; D41-R44 IonicContact OD1-NH1 2.81Å; D41-R44 PolarHBondContact OD1-NH1 2.93Å; D41-H45 WeakPolarHBondContact O-CB 3.42Å; D41-H45 PolarHBondContact O-N 3.39Å
42	L	98.2	Very high	96.3	Very high	20 Å²	20	59.2 Å²	59.2	11%	0.105	30%	0.296	C	S	.	.	H	α-helix	trans	-65.7	-41.5	173.7	-175	54.2	0	0	0	111.8	H38 Y39 L40 H45 I46 V64 M69 M227 M260 T263	H38-L42 WeakPolarHBondContact O-CB 3.38Å; H38-L42 PolarHBondContact O-N 3.42Å; Y39-L42 PolarHBondContact O-N 3.1Å; L40-L42 VanDerWaalsContact C-N 3.32Å; L42-H45 PolarHBondContact O-N 3.43Å; L42-I46 HydrophobicContact CD1-CD1 4.02Å; L42-I46 HydrophobicContact CD1-CG1 4.25Å; L42-I46 HydrophobicContact CG-CD1 3.91Å; L42-I46 WeakPolarHBondContact O-CD1 3.41Å; L42-I46 VanDerWaalsContact O-CG1 3.25Å; L42-I46 WeakPolarHBondContact O-CG1 3.24Å; L42-I46 PolarHBondContact O-N 2.72Å; L42-V64 HydrophobicContact CD1-CG2 4.44Å; L42-M69 HydrophobicContact CD2-CG 4.21Å; L42-M69 HydrophobicContact CD2-SD 4.18Å; L42-M227 HydrophobicContact CB-CE 4.14Å; L42-M227 HydrophobicContact CD2-CE 3.81Å; L42-M227 HydrophobicContact CD2-SD 4.21Å; L42-M227 HydrophobicContact CG-CE 3.89Å; L42-M260 HydrophobicContact CD2-CE 3.52Å; L42-T263 HydrophobicContact CD2-CG2 4.09Å; L42-T263 HydrophobicContact CG-CG2 4.48Å
43	L	98.3	Very high	97.1	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.8	-49	171.2	-82.9	-179.8	0	0	0	112.5	Y39 L40 H45 I46 I47 M227 V265 L273 L277	Y39-L43 HydrophobicContact CD1-CD1 4.04Å; Y39-L43 HydrophobicContact CE1-CD1 3.31Å; Y39-L43 HydrophobicContact CE1-CG 4.13Å; Y39-L43 HydrophobicContact CE2-CD1 4.32Å; Y39-L43 HydrophobicContact CE2-CG 4.39Å; Y39-L43 PolarHBondContact O-N 3.17Å; L40-L43 HydrophobicContact CD2-CD1 4.35Å; L40-L43 WeakPolarHBondContact O-CB 3.14Å; L40-L43 PolarHBondContact O-N 3.32Å; L43-H45 VanDerWaalsContact C-N 3.28Å; L43-H45 PolarHBondContact O-N 3.12Å; L43-I46 PolarHBondContact O-N 3Å; L43-I47 WeakPolarHBondContact O-CB 3.47Å; L43-I47 WeakPolarHBondContact O-CG1 3.4Å; L43-I47 PolarHBondContact O-N 3.4Å; L43-M227 HydrophobicContact CD2-CB 3.55Å; L43-M227 HydrophobicContact CD2-CE 4.29Å; L43-M227 HydrophobicContact CD2-CG 4.4Å; L43-M227 HydrophobicContact CG-CE 4.17Å; L43-V265 HydrophobicContact CD2-CG2 3.72Å; L43-L273 HydrophobicContact CD1-CD2 3.92Å; L43-L273 HydrophobicContact CD2-CD1 3.91Å; L43-L273 HydrophobicContact CD2-CD2 4.11Å; L43-L273 HydrophobicContact CD2-CG 4.48Å; L43-L277 HydrophobicContact CB-CD2 4.02Å; L43-L277 HydrophobicContact CD1-CD2 4.42Å
44	R	98.4	Very high	97.1	Very high	91 Å²	91	66.1 Å²	66.1	34%	0.343	32%	0.319	S	S	.	.	H	α-helix	trans	-57.2	-45.1	176.5	-71.1	178.1	-170.8	103.8	8.2	110.8	M37 L40 D41 I47 A48 L277	M37-R44 VanDerWaalsContact CE-NH1 3.31Å; L40-R44 WeakPolarHBondContact O-CG 3.28Å; L40-R44 PolarHBondContact O-N 3.39Å; D41-R44 PolarHBondContact O-N 2.75Å; D41-R44 IonicContact OD1-CZ 3.1Å; D41-R44 IonicContact OD1-NH1 2.81Å; D41-R44 PolarHBondContact OD1-NH1 2.93Å; R44-I47 PolarHBondContact O-N 2.99Å; R44-A48 VanDerWaalsContact O-CB 3.29Å; R44-A48 WeakPolarHBondContact O-CB 3.11Å; R44-A48 PolarHBondContact O-N 2.64Å; R44-L277 HydrophobicContact CG-CD1 3.83Å; R44-L277 HydrophobicContact CG-CD2 3.62Å; R44-L277 HydrophobicContact CG-CG 4.29Å; R44-L277 PolarHBondContact NH2-O 3.16Å
45	H	98.4	Very high	96.6	Very high	91 Å²	91	58.5 Å²	58.5	42%	0.421	29%	0.294	S	S	.	.	H	α-helix	trans	-62	-47.2	-179.7	179.1	61.8	0	0	0	112	D41 L42 L43 A48 N49	D41-H45 WeakPolarHBondContact O-CB 3.42Å; D41-H45 PolarHBondContact O-N 3.39Å; L42-H45 PolarHBondContact O-N 3.43Å; L43-H45 VanDerWaalsContact C-N 3.28Å; L43-H45 PolarHBondContact O-N 3.12Å; H45-A48 PolarHBondContact O-N 3.28Å; H45-N49 PolarHBondContact ND1-ND2 3.49Å; H45-N49 WeakPolarHBondContact O-CB 3.22Å; H45-N49 PolarHBondContact O-N 3.43Å; H45-N49 PolarHBondContact O-ND2 3.37Å
46	I	98.4	Very high	96	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.4	-44.7	179	-66.4	162.8	0	0	0	111.2	L42 L43 A48 G50 L62 V64 M227 T263 V265	L42-I46 HydrophobicContact CD1-CD1 4.02Å; L42-I46 HydrophobicContact CD1-CG1 4.25Å; L42-I46 HydrophobicContact CG-CD1 3.91Å; L42-I46 WeakPolarHBondContact O-CD1 3.41Å; L42-I46 VanDerWaalsContact O-CG1 3.25Å; L42-I46 WeakPolarHBondContact O-CG1 3.24Å; L42-I46 PolarHBondContact O-N 2.72Å; L43-I46 PolarHBondContact O-N 3Å; I46-A48 VanDerWaalsContact C-N 3.3Å; I46-A48 PolarHBondContact O-N 3.21Å; I46-G50 WeakPolarHBondContact O-CA 3.47Å; I46-G50 PolarHBondContact O-N 3.49Å; I46-L62 HydrophobicContact CG2-CB 4.04Å; I46-L62 WeakPolarHBondContact CG2-O 3.49Å; I46-V64 HydrophobicContact CD1-CG2 4.2Å; I46-V64 HydrophobicContact CG1-CG1 4.12Å; I46-V64 HydrophobicContact CG1-CG2 3.72Å; I46-M227 HydrophobicContact CD1-CG 3.75Å; I46-T263 HydrophobicContact CD1-CG2 3.71Å; I46-V265 HydrophobicContact CB-CG2 4.35Å; I46-V265 HydrophobicContact CG2-CB 4.03Å; I46-V265 HydrophobicContact CG2-CG2 3.79Å
47	I	98.4	Very high	95.2	Very high	33 Å²	33	64.4 Å²	64.4	17%	0.169	32%	0.315	C	S	.	.	H	α-helix	trans	-64.6	-36.8	179.9	-70.1	171.6	0	0	0	111.3	L43 R44 V265 V270 L273 L277	L43-I47 WeakPolarHBondContact O-CB 3.47Å; L43-I47 WeakPolarHBondContact O-CG1 3.4Å; L43-I47 PolarHBondContact O-N 3.4Å; R44-I47 PolarHBondContact O-N 2.99Å; I47-V265 HydrophobicContact CG1-CG1 4.48Å; I47-V265 HydrophobicContact CG1-CG2 4.45Å; I47-V270 HydrophobicContact CG2-CG1 4.22Å; I47-L273 HydrophobicContact CD1-CB 4.03Å; I47-L277 HydrophobicContact CD1-CD1 3.9Å
48	A	98	Very high	94.8	Very high	77 Å²	77	70.5 Å²	70.5	64%	0.636	34%	0.343	S	S	*	.	H	α-helix	trans	-83.8	-32.6	-177.8	0	0	0	0	0	114	R44 H45 I46	R44-A48 VanDerWaalsContact O-CB 3.29Å; R44-A48 WeakPolarHBondContact O-CB 3.11Å; R44-A48 PolarHBondContact O-N 2.64Å; H45-A48 PolarHBondContact O-N 3.28Å; I46-A48 VanDerWaalsContact C-N 3.3Å; I46-A48 PolarHBondContact O-N 3.21Å
49	N	97.8	Very high	94.6	Very high	110 Å²	110	68.7 Å²	68.7	59%	0.588	34%	0.338	S	S	*	.	H	α-helix	trans	-131	-2.9	-167.5	-48.8	-83.6	0	0	0	114.2	H45	H45-N49 PolarHBondContact ND1-ND2 3.49Å; H45-N49 WeakPolarHBondContact O-CB 3.22Å; H45-N49 PolarHBondContact O-N 3.43Å; H45-N49 PolarHBondContact O-ND2 3.37Å
50	G	98	Very high	94.4	Very high	15 Å²	15	68.7 Å²	68.7	16%	0.155	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-64.7	140.7	-177.7	0	0	0	0	0	111.8	I46 Q52 S63	I46-G50 WeakPolarHBondContact O-CA 3.47Å; I46-G50 PolarHBondContact O-N 3.49Å; G50-Q52 PolarHBondContact O-N 2.88Å; G50-S63 CarbonylContact C-O 3.52Å; G50-S63 VanDerWaalsContact CA-O 3.31Å; G50-S63 WeakPolarHBondContact CA-O 3.47Å
51	E	97.3	Very high	94.4	Very high	132 Å²	132	69 Å²	69	62%	0.617	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	125	173	-173.2	-178	173.8	0	0	109	R53 S63	E51-R53 HydrophobicContact CG-CG 4.09Å; E51-R53 PolarHBondContact O-N 2.88Å; E51-S63 PolarHBondContact N-O 2.8Å; E51-S63 PolarHBondContact O-N 3.21Å; E51-S63 PolarHBondContact O-OG 2.84Å
52	Q	96.8	Very high	94.4	Very high	136 Å²	136	66.3 Å²	66.3	64%	0.636	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	121	173.2	-173.3	175.7	-15.5	0	0	109.8	G50 T61 L62 L267	G50-Q52 PolarHBondContact O-N 2.88Å; Q52-T61 CarbonylContact C-O 3.56Å; Q52-T61 VanDerWaalsContact CA-O 3.29Å; Q52-T61 WeakPolarHBondContact CA-O 3.32Å; Q52-L62 HydrophobicContact CB-CD2 3.93Å; Q52-L62 HydrophobicContact CG-CD2 4.37Å; Q52-L267 HydrophobicContact CG-CD1 4.43Å
53	R	92.9	Very high	94.3	Very high	111 Å²	111	65.7 Å²	65.7	42%	0.419	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.6	-179.2	-66.2	173.5	67.7	-150.8	-3.9	110.2	E51 G60 T61 S63 D262	E51-R53 HydrophobicContact CG-CG 4.09Å; E51-R53 PolarHBondContact O-N 2.88Å; R53-G60 CarbonylContact O-C 3.51Å; R53-G60 VanDerWaalsContact O-CA 3.28Å; R53-G60 WeakPolarHBondContact O-CA 3.37Å; R53-T61 PolarHBondContact N-O 2.77Å; R53-T61 PolarHBondContact O-N 3.3Å; R53-S63 VanDerWaalsContact CD-OG 3.24Å; R53-S63 WeakPolarHBondContact CD-OG 3.31Å; R53-D262 IonicContact CZ-OD2 3.79Å; R53-D262 IonicContact NH1-OD2 2.74Å; R53-D262 PolarHBondContact NH1-OD2 3.49Å
54	M	91.5	Very high	94.3	Very high	134 Å²	134	66.8 Å²	66.8	66%	0.66	33%	0.329	S	S	*	.			trans	-89.6	135.8	168	-166.6	57.8	66.6	0	0	109.2
55	D	83.3	Confident	94.3	Very high	42 Å²	42	70.5 Å²	70.5	23%	0.225	35%	0.348	C	S	.	.			trans	-119.5	-178.9	180	80.9	-54.4	0	0	0	111.3	T57 E58 G60 Y266	D55-T57 PolarHBondContact O-N 2.83Å; D55-T57 VanDerWaalsContact O-N 3.14Å; D55-T57 PolarHBondContact OD1-OG1 2.77Å; D55-T57 WeakPolarHBondContact OD2-CG2 3.23Å; D55-T57 PolarHBondContact OD2-N 3.12Å; D55-T57 PolarHBondContact OD2-OG1 3.37Å; D55-E58 PolarHBondContact O-N 3.05Å; D55-G60 PolarHBondContact OD1-N 2.8Å; D55-Y266 PolarHBondContact OD2-OH 2.9Å
56	R	83.5	Confident	94.3	Very high	140 Å²	140	68.6 Å²	68.6	53%	0.528	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-17.3	-175	67.8	173.9	-171.6	74.8	9.4	114.3	V321	R56-V321 PolarHBondContact NH1-OXT 2.83Å
57	T	82.1	Confident	94.3	Very high	17 Å²	17	69.6 Å²	69.6	10%	0.104	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-3.2	-178.9	73.7	0	0	0	0	112.6	D55 V59 A320	D55-T57 PolarHBondContact O-N 2.83Å; D55-T57 VanDerWaalsContact O-N 3.14Å; D55-T57 PolarHBondContact OD1-OG1 2.77Å; D55-T57 WeakPolarHBondContact OD2-CG2 3.23Å; D55-T57 PolarHBondContact OD2-N 3.12Å; D55-T57 PolarHBondContact OD2-OG1 3.37Å; T57-V59 PolarHBondContact O-N 2.75Å; T57-A320 HydrophobicContact CG2-CB 3.93Å
58	E	87.8	Confident	94.3	Very high	168 Å²	168	73.4 Å²	73.4	79%	0.785	38%	0.377	S	S	*	.	S	Bend	trans	61.9	8	-178.8	-53.7	-178.6	165.4	0	0	115.1	D55	D55-E58 PolarHBondContact O-N 3.05Å
59	V	92	Very high	94.3	Very high	46 Å²	46	69.9 Å²	69.9	28%	0.279	35%	0.348	S	S	.	.	S	Bend	trans	-80.4	-36.5	175	176.3	0	0	0	0	110.3	T57 Y266 N268 A320	T57-V59 PolarHBondContact O-N 2.75Å; V59-Y266 HydrophobicContact CB-CD1 3.96Å; V59-Y266 HydrophobicContact CB-CE1 4.41Å; V59-Y266 HydrophobicContact CG1-CD1 3.83Å; V59-Y266 HydrophobicContact CG1-CG 4.46Å; V59-N268 HydrophobicContact CG1-CB 4.23Å; V59-N268 WeakPolarHBondContact CG1-OD1 3.46Å; V59-A320 HydrophobicContact CG2-CB 3.98Å
60	G	94.9	Very high	94.3	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	34%	0.341	C	S	.	.			trans	78.1	158.6	-173.9	0	0	0	0	0	112.8	R53 D55 L267	R53-G60 CarbonylContact O-C 3.51Å; R53-G60 VanDerWaalsContact O-CA 3.28Å; R53-G60 WeakPolarHBondContact O-CA 3.37Å; D55-G60 PolarHBondContact OD1-N 2.8Å; G60-L267 WeakPolarHBondContact O-CG 3.42Å; G60-L267 PolarHBondContact O-N 2.86Å
61	T	97.5	Very high	94.3	Very high	7 Å²	7	69.5 Å²	69.5	4%	0.043	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	151.4	-171.8	60.4	0	0	0	0	111.8	Q52 R53 H264 V265 Y266	Q52-T61 CarbonylContact C-O 3.56Å; Q52-T61 VanDerWaalsContact CA-O 3.29Å; Q52-T61 WeakPolarHBondContact CA-O 3.32Å; R53-T61 PolarHBondContact N-O 2.77Å; R53-T61 PolarHBondContact O-N 3.3Å; T61-H264 HydrophobicContact CG2-CB 4.28Å; T61-V265 CarbonylContact C-O 3.58Å; T61-V265 VanDerWaalsContact CA-O 3.28Å; T61-V265 WeakPolarHBondContact CA-O 3.46Å; T61-Y266 HydrophobicContact CG2-CD1 3.65Å; T61-Y266 HydrophobicContact CG2-CE1 3.75Å; T61-Y266 HydrophobicContact CG2-CG 4.23Å
62	L	98.1	Very high	94.4	Very high	22 Å²	22	65.9 Å²	65.9	12%	0.115	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125.9	155.7	-59.5	176.3	0	0	0	107.9	I46 Q52 H264 V265 L267 V270	I46-L62 HydrophobicContact CG2-CB 4.04Å; I46-L62 WeakPolarHBondContact CG2-O 3.49Å; Q52-L62 HydrophobicContact CB-CD2 3.93Å; Q52-L62 HydrophobicContact CG-CD2 4.37Å; L62-H264 CarbonylContact O-C 3.54Å; L62-H264 WeakPolarHBondContact O-CA 3.39Å; L62-H264 WeakPolarHBondContact O-CB 3.36Å; L62-V265 PolarHBondContact N-O 3.4Å; L62-V265 PolarHBondContact O-N 3.34Å; L62-L267 HydrophobicContact CD2-CD2 4.05Å; L62-L267 HydrophobicContact CG-CD2 3.89Å; L62-V270 HydrophobicContact CD1-CG2 4.09Å
63	S	97.7	Very high	94.5	Very high	7 Å²	7	59.6 Å²	59.6	5%	0.049	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.9	-172.8	69.7	0	0	0	0	113.7	G50 E51 R53 T263	G50-S63 CarbonylContact C-O 3.52Å; G50-S63 VanDerWaalsContact CA-O 3.31Å; G50-S63 WeakPolarHBondContact CA-O 3.47Å; E51-S63 PolarHBondContact N-O 2.8Å; E51-S63 PolarHBondContact O-N 3.21Å; E51-S63 PolarHBondContact O-OG 2.84Å; R53-S63 VanDerWaalsContact CD-OG 3.24Å; R53-S63 WeakPolarHBondContact CD-OG 3.31Å; S63-T263 WeakPolarHBondContact CA-O 3.21Å
64	V	98.3	Very high	94.7	Very high	23 Å²	23	57.4 Å²	57.4	14%	0.139	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156.3	165.8	-59.1	0	0	0	0	108.8	L42 I46 T263	L42-V64 HydrophobicContact CD1-CG2 4.44Å; I46-V64 HydrophobicContact CD1-CG2 4.2Å; I46-V64 HydrophobicContact CG1-CG1 4.12Å; I46-V64 HydrophobicContact CG1-CG2 3.72Å; V64-T263 PolarHBondContact N-O 3.23Å; V64-T263 PolarHBondContact O-N 3.29Å
65	F	98.1	Very high	94.9	Very high	169 Å²	169	57.2 Å²	57.2	74%	0.741	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.5	-177.8	-171.4	-110.2	0	0	0	111.8	G261	F65-G261 WeakPolarHBondContact CA-O 3.28Å
66	G	97.7	Very high	95.6	Very high	51 Å²	51	56.6 Å²	56.6	53%	0.526	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	84.4	104.5	-176.5	0	0	0	0	0	111.4	M260 G261	G66-M260 CarbonylContact C-O 3.05Å; G66-M260 WeakPolarHBondContact CA-O 3.2Å; G66-G261 PolarHBondContact N-O 3.36Å
67	S	98	Very high	96.3	Very high	22 Å²	22	50 Å²	50	15%	0.154	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	155.4	177	-69	0	0	0	0	110.6	T259 M260	S67-T259 CarbonylContact O-C 3.52Å; S67-T259 WeakPolarHBondContact O-CA 3.36Å; S67-M260 PolarHBondContact N-O 3.24Å; S67-M260 PolarHBondContact O-N 2.98Å
68	Q	98.4	Very high	97.1	Very high	112 Å²	112	49.2 Å²	49.2	52%	0.523	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	137.5	178	-170.9	173.2	93.7	0	0	111.5	V257 H258 T259	Q68-V257 HydrophobicContact CG-CG1 3.74Å; Q68-H258 CarbonylContact C-O 3.42Å; Q68-H258 VanDerWaalsContact CA-O 3.26Å; Q68-H258 WeakPolarHBondContact CA-O 3.31Å; Q68-T259 PolarHBondContact NE2-OG1 2.89Å
69	M	98.3	Very high	97.6	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.02	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	155.2	170.6	-58	179.3	-60	0	0	109.8	H38 Y39 L42 F71 V231 I235 V257 H258 M260	H38-M69 HydrophobicContact CB-CB 4.22Å; H38-M69 HydrophobicContact CB-CG 4.2Å; Y39-M69 VanDerWaalsContact CA-SD 3.54Å; Y39-M69 HydrophobicContact CD2-SD 4.31Å; L42-M69 HydrophobicContact CD2-CG 4.21Å; L42-M69 HydrophobicContact CD2-SD 4.18Å; M69-F71 HydrophobicContact CB-CE2 3.64Å; M69-F71 HydrophobicContact CB-CZ 3.89Å; M69-F71 HydrophobicContact CE-CE2 4.15Å; M69-F71 HydrophobicContact CE-CZ 4.07Å; M69-F71 HydrophobicContact SD-CZ 4.13Å; M69-V231 HydrophobicContact CE-CG1 3.71Å; M69-I235 HydrophobicContact CE-CD1 3.87Å; M69-I235 HydrophobicContact CE-CG1 4.22Å; M69-V257 CarbonylContact O-C 3.55Å; M69-V257 WeakPolarHBondContact O-CA 3.26Å; M69-H258 HydrophobicContact CB-CB 4.46Å; M69-H258 HydrophobicContact CE-CB 4.21Å; M69-H258 PolarHBondContact N-O 2.85Å; M69-H258 PolarHBondContact O-N 2.94Å; M69-M260 HydrophobicContact CE-CE 3.58Å; M69-M260 HydrophobicContact CE-SD 4.07Å; M69-M260 HydrophobicContact CG-CE 4.08Å; M69-M260 HydrophobicContact SD-CE 4.16Å
70	R	98.4	Very high	97.9	Very high	116 Å²	116	39.1 Å²	39.1	44%	0.438	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.8	177	176.6	177.3	-73.4	-91.9	-0.3	109.6	H38 D255 F256 V257	H38-R70 PolarHBondContact CD2-O 3.41Å; H38-R70 VanDerWaalsContact CD2-O 3.25Å; R70-D255 IonicContact NH1-OD1 3.99Å; R70-D255 IonicContact NH1-OD2 2.79Å; R70-F256 CarbonylContact C-O 3.5Å; R70-F256 WeakPolarHBondContact CA-O 3.21Å; R70-V257 HydrophobicContact CG-CG2 4.4Å
71	F	98.6	Very high	98.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.3	-179.2	-55.3	-89.1	0	0	0	109.8	D35 M69 P78 I235 D255 F256 H258 F284	D35-F71 HydrophobicContact CB-CD1 4Å; D35-F71 WeakPolarHBondContact O-CE1 2.91Å; D35-F71 WeakPolarHBondContact OD2-CA 3.36Å; M69-F71 HydrophobicContact CB-CE2 3.64Å; M69-F71 HydrophobicContact CB-CZ 3.89Å; M69-F71 HydrophobicContact CE-CE2 4.15Å; M69-F71 HydrophobicContact CE-CZ 4.07Å; M69-F71 HydrophobicContact SD-CZ 4.13Å; F71-P78 HydrophobicContact CB-CB 3.84Å; F71-P78 HydrophobicContact CB-CG 4.06Å; F71-P78 HydrophobicContact CD1-CB 3.65Å; F71-P78 HydrophobicContact CE1-CB 4.46Å; F71-P78 HydrophobicContact CG-CB 3.86Å; F71-P78 HydrophobicContact CG-CG 4.38Å; F71-I235 HydrophobicContact CD1-CG2 4.39Å; F71-I235 HydrophobicContact CD2-CG2 4.17Å; F71-I235 HydrophobicContact CE1-CD1 4.37Å; F71-I235 HydrophobicContact CE1-CG2 4.22Å; F71-I235 HydrophobicContact CE2-CD1 4.13Å; F71-I235 HydrophobicContact CE2-CG1 3.96Å; F71-I235 HydrophobicContact CE2-CG2 3.96Å; F71-I235 HydrophobicContact CG-CG2 4.38Å; F71-I235 HydrophobicContact CZ-CD1 3.62Å; F71-I235 HydrophobicContact CZ-CG1 3.97Å; F71-I235 HydrophobicContact CZ-CG2 4Å; F71-D255 WeakPolarHBondContact O-CA 3.28Å; F71-F256 HydrophobicContact CB-CB 4.42Å; F71-F256 HydrophobicContact CB-CD1 4.49Å; F71-F256 AromaticContact CD2-CD1 3.55Å; F71-F256 HydrophobicContact CD2-CD1 3.55Å; F71-F256 HydrophobicContact CD2-CE1 4.07Å; F71-F256 HydrophobicContact CE2-CD1 4.2Å; F71-F256 HydrophobicContact CE2-CE1 4.26Å; F71-F256 HydrophobicContact CG-CD1 4.34Å; F71-F256 PolarHBondContact N-O 3.26Å; F71-F256 PolarHBondContact O-N 3Å; F71-H258 HydrophobicContact CE2-CB 4.45Å; F71-F284 HydrophobicContact CD1-CE2 4.27Å; F71-F284 HydrophobicContact CD1-CZ 4.44Å
72	D	98.2	Very high	98.1	Very high	57 Å²	57	38.8 Å²	38.8	31%	0.305	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	117.4	173.2	-178.6	14.4	0	0	0	110.4	D35 R74 S76	D35-D72 PolarHBondContact OD2-N 3.24Å; D72-R74 WeakPolarHBondContact OD1-CB 3.32Å; D72-R74 WeakPolarHBondContact OD1-CD 3.35Å; D72-R74 VanDerWaalsContact OD1-CG 3.23Å; D72-R74 WeakPolarHBondContact OD1-CG 3.42Å; D72-R74 IonicContact OD1-CZ 2.86Å; D72-R74 PolarHBondContact OD1-N 3.12Å; D72-R74 IonicContact OD1-NH1 3.95Å; D72-R74 PolarHBondContact OD1-NH1 3.29Å; D72-S76 PolarHBondContact O-OG 2.94Å
73	M	98.3	Very high	98.1	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.015	20%	0.197	C	C	.	.			trans	-101.2	3.5	-177.5	-59.6	-174.9	-65.7	0	0	113.7	N75 S76 P78 A239 T242 P253 G254 F256	M73-N75 VanDerWaalsContact C-N 3.32Å; M73-N75 PolarHBondContact O-N 2.9Å; M73-S76 CarbonylContact C-O 3.54Å; M73-S76 VanDerWaalsContact CA-O 3.31Å; M73-S76 WeakPolarHBondContact CA-O 3.41Å; M73-P78 HydrophobicContact CG-CG 4.29Å; M73-A239 VanDerWaalsContact SD-CA 3.58Å; M73-A239 HydrophobicContact SD-CB 3.51Å; M73-A239 VanDerWaalsContact SD-CB 3.51Å; M73-T242 HydrophobicContact CE-CG2 3.69Å; M73-P253 HydrophobicContact CB-CB 3.92Å; M73-P253 HydrophobicContact CE-CB 4.4Å; M73-G254 VanDerWaalsContact CB-O 3.3Å; M73-G254 WeakPolarHBondContact CB-O 3.41Å; M73-G254 PolarHBondContact N-O 3.33Å; M73-F256 HydrophobicContact CE-CB 3.75Å; M73-F256 HydrophobicContact CG-CB 4.38Å; M73-F256 HydrophobicContact SD-CB 3.77Å
74	R	97.9	Very high	98.1	Very high	65 Å²	65	44.6 Å²	44.6	25%	0.245	22%	0.219	C	C	.	.	S	Bend	trans	-65	-35.6	-174.5	-68.5	170.3	-174.8	82.2	6.1	113.2	D72 R213 E215 D255	D72-R74 WeakPolarHBondContact OD1-CB 3.32Å; D72-R74 WeakPolarHBondContact OD1-CD 3.35Å; D72-R74 VanDerWaalsContact OD1-CG 3.23Å; D72-R74 WeakPolarHBondContact OD1-CG 3.42Å; D72-R74 IonicContact OD1-CZ 2.86Å; D72-R74 PolarHBondContact OD1-N 3.12Å; D72-R74 IonicContact OD1-NH1 3.95Å; D72-R74 PolarHBondContact OD1-NH1 3.29Å; R74-R213 VanDerWaalsContact NH2-NH2 3.16Å; R74-E215 WeakPolarHBondContact CD-OE1 3.47Å; R74-E215 IonicContact CZ-OE1 2.72Å; R74-E215 IonicContact CZ-OE2 3.97Å; R74-E215 VanDerWaalsContact NE-CD 3.25Å; R74-E215 IonicContact NE-OE1 3.67Å; R74-E215 PolarHBondContact NE-OE1 3.02Å; R74-E215 IonicContact NE-OE2 3.92Å; R74-E215 PolarHBondContact NE-OE2 2.85Å; R74-E215 VanDerWaalsContact NE-OE2 3.1Å; R74-E215 IonicContact NH2-OE2 3.68Å; R74-E215 PolarHBondContact NH2-OE2 2.82Å; R74-D255 IonicContact CZ-OD1 3.86Å; R74-D255 IonicContact CZ-OD2 3.58Å; R74-D255 IonicContact NH1-OD1 2.82Å; R74-D255 PolarHBondContact NH1-OD1 3.31Å; R74-D255 IonicContact NH1-OD2 3.31Å; R74-D255 IonicContact NH2-OD1 3.55Å; R74-D255 IonicContact NH2-OD2 3.81Å; R74-D255 PolarHBondContact NH2-OD2 2.82Å
75	N	96	Very high	98.1	Very high	131 Å²	131	43.9 Å²	43.9	70%	0.701	22%	0.215	S	C	*	.	S	Bend	trans	-128.5	0.4	-174.2	-63.8	-64	0	0	0	113.9	M73	M73-N75 VanDerWaalsContact C-N 3.32Å; M73-N75 PolarHBondContact O-N 2.9Å
76	S	97.5	Very high	98	Very high	29 Å²	29	41.3 Å²	41.3	20%	0.203	20%	0.204	C	C	.	.			trans	-152	166.9	-176.9	80.3	0	0	0	0	110.9	D72 M73 P285	D72-S76 PolarHBondContact O-OG 2.94Å; M73-S76 CarbonylContact C-O 3.54Å; M73-S76 VanDerWaalsContact CA-O 3.31Å; M73-S76 WeakPolarHBondContact CA-O 3.41Å; S76-P285 CarbonylContact C-O 3.53Å; S76-P285 WeakPolarHBondContact CA-O 3.46Å
77	F	98.6	Very high	98	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.183	C	C	.	.			trans	-119.7	121.9	176.5	-179.8	-102.8	0	0	0	109.2	L79 F87 A236 A239 L240 H243 F284 P285 L287 I306	F77-L79 VanDerWaalsContact C-N 3.27Å; F77-L79 HydrophobicContact CD1-CB 3.83Å; F77-L79 HydrophobicContact CE1-CB 4.05Å; F77-L79 HydrophobicContact CE1-CD1 4.44Å; F77-L79 PolarHBondContact O-N 2.99Å; F77-F87 HydrophobicContact CE1-CD2 4.03Å; F77-F87 AromaticContact CE1-CE2 3.73Å; F77-F87 HydrophobicContact CE1-CE2 3.73Å; F77-F87 HydrophobicContact CZ-CD2 4.47Å; F77-F87 AromaticContact CZ-CE2 3.82Å; F77-F87 HydrophobicContact CZ-CE2 3.82Å; F77-A236 HydrophobicContact CE1-CB 4.21Å; F77-A236 HydrophobicContact CZ-CB 4.21Å; F77-A236 WeakPolarHBondContact CZ-O 3.01Å; F77-A239 HydrophobicContact CD2-CB 4.25Å; F77-A239 HydrophobicContact CE2-CB 3.68Å; F77-A239 HydrophobicContact CZ-CB 4.25Å; F77-L240 HydrophobicContact CE2-CB 4.18Å; F77-L240 HydrophobicContact CZ-CB 4.17Å; F77-H243 AromaticContact CD2-CE1 3.82Å; F77-F284 WeakPolarHBondContact O-CB 3.42Å; F77-P285 PolarHBondContact N-O 2.92Å; F77-P285 WeakPolarHBondContact O-CD 3.36Å; F77-L287 HydrophobicContact CB-CB 3.82Å; F77-L287 HydrophobicContact CD2-CB 3.73Å; F77-L287 HydrophobicContact CD2-CD2 3.8Å; F77-L287 HydrophobicContact CD2-CG 4.37Å; F77-L287 HydrophobicContact CE2-CB 4.46Å; F77-L287 HydrophobicContact CE2-CD2 3.79Å; F77-L287 HydrophobicContact CG-CB 3.77Å; F77-I306 HydrophobicContact CD1-CD1 3.81Å; F77-I306 HydrophobicContact CE1-CD1 4.05Å; F77-I306 HydrophobicContact CG-CD1 4.48Å
78	P	98.6	Very high	98	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	20%	0.195	C	C	.	.			trans	-73.7	79.6	-170.9	31.3	-36.9	0	0	0	111.6	F71 M73 I235 A239 F284	F71-P78 HydrophobicContact CB-CB 3.84Å; F71-P78 HydrophobicContact CB-CG 4.06Å; F71-P78 HydrophobicContact CD1-CB 3.65Å; F71-P78 HydrophobicContact CE1-CB 4.46Å; F71-P78 HydrophobicContact CG-CB 3.86Å; F71-P78 HydrophobicContact CG-CG 4.38Å; M73-P78 HydrophobicContact CG-CG 4.29Å; P78-I235 HydrophobicContact CB-CG2 3.75Å; P78-I235 HydrophobicContact CG-CG2 3.95Å; P78-I235 WeakPolarHBondContact O-CG2 3.37Å; P78-A239 HydrophobicContact CG-CB 3.56Å; P78-F284 HydrophobicContact CB-CD2 4.45Å; P78-F284 HydrophobicContact CB-CE2 4.02Å; P78-F284 HydrophobicContact CB-CZ 4.28Å
79	L	98.6	Very high	98	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	17%	0.171	C	C	.	.			trans	-117.3	108.8	175.4	-171.6	68.3	0	0	0	107.9	F77 T81 V85 F87 A236 F284 P285 I306 Y309	F77-L79 VanDerWaalsContact C-N 3.27Å; F77-L79 HydrophobicContact CD1-CB 3.83Å; F77-L79 HydrophobicContact CE1-CB 4.05Å; F77-L79 HydrophobicContact CE1-CD1 4.44Å; F77-L79 PolarHBondContact O-N 2.99Å; L79-T81 PolarHBondContact O-N 3.36Å; L79-V85 HydrophobicContact CD1-CB 3.64Å; L79-V85 HydrophobicContact CD1-CG1 3.69Å; L79-V85 HydrophobicContact CD1-CG2 4.35Å; L79-V85 HydrophobicContact CG-CB 4.33Å; L79-F87 HydrophobicContact CD2-CB 4.3Å; L79-A236 HydrophobicContact CD1-CB 3.82Å; L79-F284 VanDerWaalsContact O-CD1 3.23Å; L79-F284 WeakPolarHBondContact O-CD1 3.29Å; L79-F284 WeakPolarHBondContact O-CE1 3.34Å; L79-P285 HydrophobicContact CB-CG 3.84Å; L79-P285 HydrophobicContact CD2-CG 4.2Å; L79-I306 HydrophobicContact CD2-CG2 4.33Å; L79-Y309 HydrophobicContact CB-CE2 4.31Å; L79-Y309 HydrophobicContact CD2-CD1 3.87Å; L79-Y309 HydrophobicContact CD2-CD2 3.9Å; L79-Y309 HydrophobicContact CD2-CE1 3.65Å; L79-Y309 HydrophobicContact CD2-CE2 3.69Å; L79-Y309 HydrophobicContact CD2-CG 4Å; L79-Y309 HydrophobicContact CG-CD2 4.38Å; L79-Y309 HydrophobicContact CG-CE1 4.32Å; L79-Y309 HydrophobicContact CG-CE2 3.78Å
80	L	98.5	Very high	98	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	17%	0.17	C	C	.	.			trans	-47.8	138.7	-173	-57.1	-172.1	0	0	0	112	E36 Y39 V85 P232 F284 Y309	E36-L80 HydrophobicContact CG-CD2 4.09Å; Y39-L80 HydrophobicContact CD1-CD1 3.75Å; Y39-L80 HydrophobicContact CD1-CD2 4.22Å; Y39-L80 HydrophobicContact CD2-CD1 4.31Å; Y39-L80 HydrophobicContact CE1-CD1 3.52Å; Y39-L80 HydrophobicContact CE2-CD1 4.11Å; Y39-L80 HydrophobicContact CG-CD1 4.13Å; Y39-L80 HydrophobicContact CG-CD2 4.3Å; L80-V85 HydrophobicContact CB-CG2 4.09Å; L80-P232 HydrophobicContact CD1-CB 3.76Å; L80-P232 HydrophobicContact CD1-CG 3.76Å; L80-P232 HydrophobicContact CG-CB 4.46Å; L80-F284 HydrophobicContact CD2-CE1 4.46Å; L80-Y309 WeakPolarHBondContact O-CE2 3.34Å; L80-Y309 PolarHBondContact O-OH 2.99Å
81	T	98.4	Very high	98	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-108.7	-23.7	-177.1	67.9	0	0	0	0	112.2	E36 L79 K83 R282 F284 Y309 P311 H312	E36-T81 PolarHBondContact OE1-N 3.38Å; E36-T81 WeakPolarHBondContact OE2-CB 3.37Å; E36-T81 PolarHBondContact OE2-N 3.09Å; E36-T81 PolarHBondContact OE2-OG1 3.4Å; L79-T81 PolarHBondContact O-N 3.36Å; T81-K83 PolarHBondContact O-N 2.91Å; T81-R282 HydrophobicContact CG2-CB 4.29Å; T81-R282 PolarHBondContact OG1-N 2.96Å; T81-R282 PolarHBondContact OG1-O 2.73Å; T81-F284 HydrophobicContact CG2-CD1 4.04Å; T81-Y309 HydrophobicContact CG2-CE2 4.48Å; T81-P311 CarbonylContact O-C 3.6Å; T81-P311 VanDerWaalsContact O-CA 3.28Å; T81-P311 WeakPolarHBondContact O-CA 3.24Å; T81-H312 PolarHBondContact O-CD2 3Å; T81-H312 VanDerWaalsContact O-CD2 3.29Å; T81-H312 PolarHBondContact O-N 2.74Å
82	T	98.3	Very high	98	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-67	-14.1	173	51.1	0	0	0	0	113.2	E36 L40 Q276 R279 P281	E36-T82 WeakPolarHBondContact OE1-CB 3.38Å; E36-T82 WeakPolarHBondContact OE1-CG2 3.22Å; E36-T82 PolarHBondContact OE1-N 3.12Å; E36-T82 PolarHBondContact OE1-OG1 2.82Å; L40-T82 HydrophobicContact CD1-CG2 3.87Å; L40-T82 HydrophobicContact CD2-CG2 4.38Å; T82-Q276 PolarHBondContact OG1-NE2 2.91Å; T82-R279 HydrophobicContact CG2-CB 4.05Å; T82-R279 VanDerWaalsContact CG2-O 3.3Å; T82-R279 WeakPolarHBondContact CG2-O 3.37Å; T82-R279 WeakPolarHBondContact O-CD 3.47Å; T82-R279 PolarHBondContact O-NH1 3.39Å; T82-P281 HydrophobicContact CG2-CB 4.36Å; T82-P281 HydrophobicContact CG2-CG 3.95Å
83	K	98.1	Very high	98	Very high	11 Å²	11	31.2 Å²	31.2	5%	0.048	14%	0.139	C	C	.	.	S	Bend	trans	-146.3	151.8	163.7	67.9	-179.1	171.5	-150.4	0	110.4	Y39 T81 V85 G228 Q276 Y309 I315 M317	Y39-K83 PolarHBondContact OH-NZ 2.87Å; T81-K83 PolarHBondContact O-N 2.91Å; K83-V85 PolarHBondContact O-N 2.96Å; K83-G228 PolarHBondContact NZ-O 3.36Å; K83-Q276 VanDerWaalsContact NZ-OE1 3.15Å; K83-Y309 PolarHBondContact O-OH 3.11Å; K83-I315 HydrophobicContact CB-CD1 4.19Å; K83-I315 HydrophobicContact CB-CG1 4.34Å; K83-M317 HydrophobicContact CD-CE 4.28Å
84	R	98	Very high	98	Very high	140 Å²	140	31.1 Å²	31.1	53%	0.528	14%	0.138	S	C	.	.			trans	-70.2	121.4	172.9	-175.8	174.1	-64.6	-86	-2.8	110.8	P311 H312 K314	R84-P311 HydrophobicContact CB-CB 4.41Å; R84-P311 HydrophobicContact CB-CG 4.06Å; R84-P311 HydrophobicContact CG-CG 4.17Å; R84-H312 PolarHBondContact N-O 2.84Å; R84-K314 HydrophobicContact CB-CB 4.49Å
85	V	97.4	Very high	98.1	Very high	7 Å²	7	29 Å²	29	4%	0.042	13%	0.132	C	C	.	.			trans	-100	134.4	172	179.9	0	0	0	0	109.1	L79 L80 K83 F87 V90 P232 Y309	L79-V85 HydrophobicContact CD1-CB 3.64Å; L79-V85 HydrophobicContact CD1-CG1 3.69Å; L79-V85 HydrophobicContact CD1-CG2 4.35Å; L79-V85 HydrophobicContact CG-CB 4.33Å; L80-V85 HydrophobicContact CB-CG2 4.09Å; K83-V85 PolarHBondContact O-N 2.96Å; V85-F87 PolarHBondContact O-N 3.3Å; V85-V90 HydrophobicContact CG1-CG2 4.3Å; V85-P232 HydrophobicContact CG2-CB 4.15Å; V85-Y309 PolarHBondContact N-OH 2.94Å
86	F	96	Very high	98.2	Very high	116 Å²	116	23.4 Å²	23.4	51%	0.509	10%	0.101	S	C	.	.			trans	-81.9	81.5	-177.3	-174	-138.6	0	0	0	111.4	R88 A89 V90	F86-R88 HydrophobicContact CD2-CB 4.4Å; F86-R88 HydrophobicContact CE1-CB 4.49Å; F86-R88 HydrophobicContact CE2-CB 3.81Å; F86-R88 HydrophobicContact CZ-CB 3.86Å; F86-R88 HydrophobicContact CZ-CG 4.41Å; F86-R88 PolarHBondContact O-N 2.99Å; F86-R88 VanDerWaalsContact O-N 3.12Å; F86-A89 HydrophobicContact CD1-CB 3.42Å; F86-A89 VanDerWaalsContact CD1-CB 3.42Å; F86-A89 HydrophobicContact CE1-CB 3.82Å; F86-A89 HydrophobicContact CG-CB 4.27Å; F86-A89 PolarHBondContact O-N 3.4Å; F86-V90 PolarHBondContact O-N 3.43Å
87	F	98	Very high	98.2	Very high	20 Å²	20	22 Å²	22	9%	0.088	9%	0.091	C	C	.	.	H	α-helix	trans	-54.8	-32.5	-174.5	179.6	-104.5	0	0	0	114.5	F77 L79 V85 A89 V90 A91 L240 L287 F301 F304 I306	F77-F87 HydrophobicContact CE1-CD2 4.03Å; F77-F87 AromaticContact CE1-CE2 3.73Å; F77-F87 HydrophobicContact CE1-CE2 3.73Å; F77-F87 HydrophobicContact CZ-CD2 4.47Å; F77-F87 AromaticContact CZ-CE2 3.82Å; F77-F87 HydrophobicContact CZ-CE2 3.82Å; L79-F87 HydrophobicContact CD2-CB 4.3Å; V85-F87 PolarHBondContact O-N 3.3Å; F87-A89 VanDerWaalsContact C-N 3.35Å; F87-A89 PolarHBondContact O-N 3.12Å; F87-V90 WeakPolarHBondContact O-CB 3.25Å; F87-V90 PolarHBondContact O-N 3.44Å; F87-A91 HydrophobicContact CE1-CB 4.21Å; F87-A91 HydrophobicContact CZ-CB 4.22Å; F87-A91 PolarHBondContact O-N 2.99Å; F87-L240 HydrophobicContact CE2-CD2 4.25Å; F87-L240 HydrophobicContact CZ-CD2 4.14Å; F87-L287 HydrophobicContact CZ-CD1 4.05Å; F87-F301 HydrophobicContact CD1-CE2 4.35Å; F87-F301 HydrophobicContact CE1-CE2 4.43Å; F87-F304 HydrophobicContact CE1-CB 3.94Å; F87-F304 HydrophobicContact CZ-CB 4.12Å; F87-I306 HydrophobicContact CD1-CD1 4.21Å; F87-I306 HydrophobicContact CD1-CG1 3.51Å; F87-I306 HydrophobicContact CD2-CD1 4.05Å; F87-I306 HydrophobicContact CD2-CG1 4.1Å; F87-I306 HydrophobicContact CE1-CD1 3.98Å; F87-I306 HydrophobicContact CE1-CG1 3.62Å; F87-I306 HydrophobicContact CE2-CD1 3.82Å; F87-I306 HydrophobicContact CE2-CG1 4.2Å; F87-I306 HydrophobicContact CG-CD1 4.24Å; F87-I306 HydrophobicContact CG-CG1 3.77Å; F87-I306 HydrophobicContact CZ-CD1 3.78Å; F87-I306 HydrophobicContact CZ-CG1 3.98Å
88	R	97.7	Very high	98.2	Very high	107 Å²	107	22.1 Å²	22.1	40%	0.404	9%	0.092	S	C	.	.	H	α-helix	trans	-60.5	-43.7	177.2	-178.5	173.8	-179.7	175.6	-0.1	112.2	F86 V90 A91 E92 F301	F86-R88 HydrophobicContact CD2-CB 4.4Å; F86-R88 HydrophobicContact CE1-CB 4.49Å; F86-R88 HydrophobicContact CE2-CB 3.81Å; F86-R88 HydrophobicContact CZ-CB 3.86Å; F86-R88 HydrophobicContact CZ-CG 4.41Å; F86-R88 PolarHBondContact O-N 2.99Å; F86-R88 VanDerWaalsContact O-N 3.12Å; R88-V90 VanDerWaalsContact C-N 3.34Å; R88-A91 PolarHBondContact O-N 3.49Å; R88-E92 HydrophobicContact CG-CG 4.13Å; R88-E92 WeakPolarHBondContact O-CB 3.34Å; R88-E92 WeakPolarHBondContact O-CG 3.47Å; R88-E92 PolarHBondContact O-N 3.28Å; R88-F301 HydrophobicContact CB-CE2 3.8Å; R88-F301 HydrophobicContact CB-CZ 3.83Å; R88-F301 HydrophobicContact CG-CD2 4.17Å; R88-F301 HydrophobicContact CG-CE1 4.15Å; R88-F301 HydrophobicContact CG-CE2 3.78Å; R88-F301 HydrophobicContact CG-CZ 3.76Å
89	A	97.9	Very high	98.2	Very high	2 Å²	2	24.5 Å²	24.5	2%	0.017	11%	0.111	C	C	.	.	H	α-helix	trans	-64.7	-40	176.5	0	0	0	0	0	111.6	F86 F87 E93 V112 I114 F233	F86-A89 HydrophobicContact CD1-CB 3.42Å; F86-A89 VanDerWaalsContact CD1-CB 3.42Å; F86-A89 HydrophobicContact CE1-CB 3.82Å; F86-A89 HydrophobicContact CG-CB 4.27Å; F86-A89 PolarHBondContact O-N 3.4Å; F87-A89 VanDerWaalsContact C-N 3.35Å; F87-A89 PolarHBondContact O-N 3.12Å; A89-E93 VanDerWaalsContact O-CB 3.25Å; A89-E93 WeakPolarHBondContact O-CB 3.43Å; A89-E93 PolarHBondContact O-N 2.99Å; A89-V112 HydrophobicContact CB-CG1 3.9Å; A89-V112 HydrophobicContact CB-CG2 4.37Å; A89-I114 HydrophobicContact CB-CG2 4.33Å; A89-F233 HydrophobicContact CB-CE1 3.88Å; A89-F233 HydrophobicContact CB-CZ 4.44Å
90	V	98.4	Very high	98.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-56.8	-51.8	174.4	175.4	0	0	0	0	111.2	V85 F86 F87 R88 L94 F233 A236	V85-V90 HydrophobicContact CG1-CG2 4.3Å; F86-V90 PolarHBondContact O-N 3.43Å; F87-V90 WeakPolarHBondContact O-CB 3.25Å; F87-V90 PolarHBondContact O-N 3.44Å; R88-V90 VanDerWaalsContact C-N 3.34Å; V90-L94 WeakPolarHBondContact O-CB 3.29Å; V90-L94 PolarHBondContact O-N 2.95Å; V90-F233 HydrophobicContact CB-CD1 4.44Å; V90-F233 HydrophobicContact CG2-CD1 3.38Å; V90-F233 HydrophobicContact CG2-CE1 3.72Å; V90-F233 HydrophobicContact CG2-CG 4.08Å; V90-A236 HydrophobicContact CG1-CB 3.87Å; V90-A236 HydrophobicContact CG2-CB 4.28Å
91	A	98.6	Very high	98.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-67.6	-44.4	-176.3	0	0	0	0	0	112.1	F87 R88 L94 L95 L240 F301 F304	F87-A91 HydrophobicContact CE1-CB 4.21Å; F87-A91 HydrophobicContact CZ-CB 4.22Å; F87-A91 PolarHBondContact O-N 2.99Å; R88-A91 PolarHBondContact O-N 3.49Å; A91-L94 PolarHBondContact O-N 3.33Å; A91-L95 VanDerWaalsContact O-CG 3.29Å; A91-L95 WeakPolarHBondContact O-CG 3.42Å; A91-L95 PolarHBondContact O-N 3.41Å; A91-L240 HydrophobicContact CB-CD2 3.83Å; A91-F301 HydrophobicContact CB-CD2 3.86Å; A91-F301 HydrophobicContact CB-CE2 4.3Å; A91-F304 HydrophobicContact CB-CD2 4.13Å; A91-F304 HydrophobicContact CB-CE2 4.48Å
92	E	98.6	Very high	98.2	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.028	14%	0.137	C	C	.	.	H	α-helix	trans	-67.6	-38	-179.2	-68.1	-75.6	-160.2	0	0	112.6	R88 L95 W96 L107 K110 V112 F301	R88-E92 HydrophobicContact CG-CG 4.13Å; R88-E92 WeakPolarHBondContact O-CB 3.34Å; R88-E92 WeakPolarHBondContact O-CG 3.47Å; R88-E92 PolarHBondContact O-N 3.28Å; E92-L95 PolarHBondContact O-N 3.39Å; E92-W96 WeakPolarHBondContact O-CB 3.47Å; E92-W96 PolarHBondContact O-N 2.83Å; E92-L107 HydrophobicContact CB-CD2 4.44Å; E92-K110 VanDerWaalsContact CD-CD 3.5Å; E92-K110 HydrophobicContact CG-CD 4.38Å; E92-K110 IonicContact OE1-NZ 3.55Å; E92-K110 VanDerWaalsContact OE2-CD 3.24Å; E92-K110 WeakPolarHBondContact OE2-CD 3.19Å; E92-K110 IonicContact OE2-NZ 2.7Å; E92-K110 PolarHBondContact OE2-NZ 2.84Å; E92-V112 HydrophobicContact CB-CG2 4.08Å; E92-V112 HydrophobicContact CG-CG2 4.4Å; E92-F301 HydrophobicContact CG-CB 4.48Å; E92-F301 WeakPolarHBondContact OE1-CB 3.18Å
93	E	98.6	Very high	98.2	Very high	15 Å²	15	30.5 Å²	30.5	7%	0.07	14%	0.141	C	C	.	.	H	α-helix	trans	-62.5	-45.6	171.6	-174.4	-172.6	-131.9	0	0	111.5	A89 L95 W96 F97 I114 W115	A89-E93 VanDerWaalsContact O-CB 3.25Å; A89-E93 WeakPolarHBondContact O-CB 3.43Å; A89-E93 PolarHBondContact O-N 2.99Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 3.3Å; E93-W96 WeakPolarHBondContact O-CA 3.5Å; E93-W96 WeakPolarHBondContact O-CB 3.46Å; E93-W96 PolarHBondContact O-N 3.07Å; E93-W96 VanDerWaalsContact O-N 3.12Å; E93-F97 VanDerWaalsContact CD-CZ 3.42Å; E93-F97 HydrophobicContact CG-CD2 4.26Å; E93-F97 HydrophobicContact CG-CE1 4.01Å; E93-F97 HydrophobicContact CG-CE2 3.59Å; E93-F97 HydrophobicContact CG-CZ 3.44Å; E93-F97 VanDerWaalsContact CG-CZ 3.44Å; E93-F97 WeakPolarHBondContact O-CG 3.39Å; E93-F97 PolarHBondContact O-N 2.87Å; E93-F97 WeakPolarHBondContact OE1-CZ 3.39Å; E93-I114 HydrophobicContact CB-CD1 3.69Å; E93-I114 HydrophobicContact CG-CD1 3.71Å; E93-I114 WeakPolarHBondContact OE1-CD1 3.36Å; E93-W115 PolarHBondContact OE1-NE1 2.97Å
94	L	98.8	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.2	-43.8	179.1	-179.3	64	0	0	0	111.6	V90 A91 W96 F97 V98 W145 S237 L240 L241 M244	V90-L94 WeakPolarHBondContact O-CB 3.29Å; V90-L94 PolarHBondContact O-N 2.95Å; A91-L94 PolarHBondContact O-N 3.33Å; L94-W96 VanDerWaalsContact C-N 3.26Å; L94-W96 PolarHBondContact O-N 2.88Å; L94-F97 PolarHBondContact O-N 3.1Å; L94-V98 HydrophobicContact CD1-CG2 4.48Å; L94-V98 HydrophobicContact CG-CG2 4.48Å; L94-V98 WeakPolarHBondContact O-CG2 3.17Å; L94-V98 PolarHBondContact O-N 3.33Å; L94-W145 HydrophobicContact CD1-CH2 4.13Å; L94-W145 HydrophobicContact CD1-CZ3 4.07Å; L94-S237 WeakPolarHBondContact CD2-O 3.36Å; L94-L240 HydrophobicContact CD2-CB 3.82Å; L94-L240 HydrophobicContact CD2-CD2 3.75Å; L94-L240 HydrophobicContact CD2-CG 3.62Å; L94-L241 HydrophobicContact CD1-CB 4.03Å; L94-L241 HydrophobicContact CD1-CD1 4.28Å; L94-L241 HydrophobicContact CD2-CB 3.99Å; L94-M244 HydrophobicContact CD2-SD 3.62Å; L94-M244 HydrophobicContact CG-SD 4.33Å
95	L	98.7	Very high	98.2	Very high	22 Å²	22	27.9 Å²	27.9	12%	0.115	13%	0.134	C	C	.	.	H	α-helix	trans	-61.3	-36.7	174.9	-68	175.8	0	0	0	111.6	A91 E92 E93 V98 A99 M244 F299 F304	A91-L95 VanDerWaalsContact O-CG 3.29Å; A91-L95 WeakPolarHBondContact O-CG 3.42Å; A91-L95 PolarHBondContact O-N 3.41Å; E92-L95 PolarHBondContact O-N 3.39Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 3.3Å; L95-V98 PolarHBondContact O-N 2.93Å; L95-A99 VanDerWaalsContact O-CB 3.32Å; L95-A99 WeakPolarHBondContact O-CB 3.3Å; L95-A99 PolarHBondContact O-N 2.92Å; L95-M244 HydrophobicContact CD2-CE 3.86Å; L95-F299 HydrophobicContact CD2-CB 3.66Å; L95-F304 HydrophobicContact CD1-CE2 4.2Å; L95-F304 HydrophobicContact CD2-CE2 4.24Å; L95-F304 HydrophobicContact CD2-CZ 4.41Å; L95-F304 HydrophobicContact CG-CE2 4.38Å
96	W	98.5	Very high	98.2	Very high	12 Å²	12	31.3 Å²	31.3	5%	0.045	15%	0.151	C	C	.	.	H	α-helix	trans	-64.4	-42.2	173.9	179.7	95.4	0	0	0	112.2	E92 E93 L94 A99 G100 K101 D103 L107 L137 V140	E92-W96 WeakPolarHBondContact O-CB 3.47Å; E92-W96 PolarHBondContact O-N 2.83Å; E93-W96 WeakPolarHBondContact O-CA 3.5Å; E93-W96 WeakPolarHBondContact O-CB 3.46Å; E93-W96 PolarHBondContact O-N 3.07Å; E93-W96 VanDerWaalsContact O-N 3.12Å; L94-W96 VanDerWaalsContact C-N 3.26Å; L94-W96 PolarHBondContact O-N 2.88Å; W96-A99 PolarHBondContact O-N 3.26Å; W96-G100 PolarHBondContact O-N 3.02Å; W96-K101 VanDerWaalsContact CD1-CB 3.48Å; W96-K101 HydrophobicContact CD2-CB 4Å; W96-K101 HydrophobicContact CG-CB 3.86Å; W96-K101 VanDerWaalsContact CH2-O 3.27Å; W96-K101 WeakPolarHBondContact CH2-O 3.48Å; W96-K101 WeakPolarHBondContact CZ2-O 3.23Å; W96-K101 VanDerWaalsContact CZ3-O 3.28Å; W96-K101 WeakPolarHBondContact CZ3-O 3.49Å; W96-K101 PolarHBondContact O-N 3.25Å; W96-K101 VanDerWaalsContact O-N 3.09Å; W96-D103 PolarHBondContact NE1-O 3.42Å; W96-L107 HydrophobicContact CB-CD2 3.81Å; W96-L107 HydrophobicContact CB-CG 4.31Å; W96-L107 HydrophobicContact CD2-CD1 4.09Å; W96-L107 HydrophobicContact CD2-CG 4.37Å; W96-L107 HydrophobicContact CG-CD1 4.17Å; W96-L107 HydrophobicContact CG-CD2 4.03Å; W96-L107 HydrophobicContact CG-CG 3.97Å; W96-L137 HydrophobicContact CH2-CD1 3.64Å; W96-L137 HydrophobicContact CZ2-CD1 3.97Å; W96-V140 HydrophobicContact CH2-CG2 3.83Å; W96-V140 HydrophobicContact CZ3-CG2 4.17Å
97	F	98.6	Very high	98.3	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-47.2	171.9	-62	-34.1	0	0	0	112	E93 L94 A99 G100 W115 Y141 G142 W145	E93-F97 VanDerWaalsContact CD-CZ 3.42Å; E93-F97 HydrophobicContact CG-CD2 4.26Å; E93-F97 HydrophobicContact CG-CE1 4.01Å; E93-F97 HydrophobicContact CG-CE2 3.59Å; E93-F97 HydrophobicContact CG-CZ 3.44Å; E93-F97 VanDerWaalsContact CG-CZ 3.44Å; E93-F97 WeakPolarHBondContact O-CG 3.39Å; E93-F97 PolarHBondContact O-N 2.87Å; E93-F97 WeakPolarHBondContact OE1-CZ 3.39Å; L94-F97 PolarHBondContact O-N 3.1Å; F97-A99 PolarHBondContact O-N 3.49Å; F97-G100 PolarHBondContact O-N 2.91Å; F97-W115 HydrophobicContact CZ-CZ2 4.43Å; F97-Y141 HydrophobicContact CD1-CD2 4.26Å; F97-Y141 HydrophobicContact CD1-CG 4.38Å; F97-Y141 AromaticContact CE1-CD2 3.47Å; F97-Y141 HydrophobicContact CE1-CD2 3.47Å; F97-Y141 VanDerWaalsContact CE1-CD2 3.47Å; F97-Y141 HydrophobicContact CE1-CE2 4.4Å; F97-Y141 AromaticContact CE1-CG 3.98Å; F97-Y141 HydrophobicContact CE1-CG 3.98Å; F97-Y141 AromaticContact CZ-CD2 3.65Å; F97-Y141 HydrophobicContact CZ-CD2 3.65Å; F97-Y141 HydrophobicContact CZ-CE2 4.25Å; F97-Y141 HydrophobicContact CZ-CG 4.13Å; F97-G142 WeakPolarHBondContact O-CA 3.19Å; F97-W145 HydrophobicContact CB-CE3 3.97Å; F97-W145 HydrophobicContact CB-CH2 4.15Å; F97-W145 HydrophobicContact CB-CZ3 3.71Å; F97-W145 HydrophobicContact CD2-CH2 4.13Å; F97-W145 HydrophobicContact CD2-CZ3 4.49Å
98	V	98.7	Very high	98.3	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.012	14%	0.137	C	C	.	.	H	α-helix	trans	-57.5	-40.2	178.8	165.8	0	0	0	0	110.8	L94 L95 G100 R146 L167 L241 M244 I296	L94-V98 HydrophobicContact CD1-CG2 4.48Å; L94-V98 HydrophobicContact CG-CG2 4.48Å; L94-V98 WeakPolarHBondContact O-CG2 3.17Å; L94-V98 PolarHBondContact O-N 3.33Å; L95-V98 PolarHBondContact O-N 2.93Å; V98-G100 PolarHBondContact O-N 3.01Å; V98-R146 WeakPolarHBondContact O-CD 3.18Å; V98-R146 PolarHBondContact O-NH1 2.89Å; V98-L167 HydrophobicContact CB-CD2 4.35Å; V98-L167 HydrophobicContact CG1-CD2 4.02Å; V98-L167 HydrophobicContact CG2-CD2 4.15Å; V98-L241 HydrophobicContact CG2-CD1 4.38Å; V98-M244 HydrophobicContact CG2-CE 4.14Å; V98-I296 HydrophobicContact CG1-CG1 4.1Å; V98-I296 HydrophobicContact CG1-CG2 4.1Å
99	A	98.1	Very high	98.3	Very high	50 Å²	50	27.1 Å²	27.1	41%	0.413	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	2.7	177.3	0	0	0	0	0	114.6	L95 W96 F97 K101	L95-A99 VanDerWaalsContact O-CB 3.32Å; L95-A99 WeakPolarHBondContact O-CB 3.3Å; L95-A99 PolarHBondContact O-N 2.92Å; W96-A99 PolarHBondContact O-N 3.26Å; F97-A99 PolarHBondContact O-N 3.49Å; A99-K101 HydrophobicContact CB-CG 3.93Å; A99-K101 PolarHBondContact O-N 3.28Å
100	G	98.3	Very high	98.3	Very high	8 Å²	8	31.4 Å²	31.4	8%	0.082	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	15.4	179.3	0	0	0	0	0	114.4	W96 F97 V98	W96-G100 PolarHBondContact O-N 3.02Å; F97-G100 PolarHBondContact O-N 2.91Å; V98-G100 PolarHBondContact O-N 3.01Å
101	K	98.3	Very high	98.2	Very high	101 Å²	101	36.7 Å²	36.7	44%	0.439	20%	0.2	S	C	.	.			trans	-80.2	152.6	-172.7	-61	-58.7	-179.1	-174.9	0	112.2	W96 A99 L106	W96-K101 VanDerWaalsContact CD1-CB 3.48Å; W96-K101 HydrophobicContact CD2-CB 4Å; W96-K101 HydrophobicContact CG-CB 3.86Å; W96-K101 VanDerWaalsContact CH2-O 3.27Å; W96-K101 WeakPolarHBondContact CH2-O 3.48Å; W96-K101 WeakPolarHBondContact CZ2-O 3.23Å; W96-K101 VanDerWaalsContact CZ3-O 3.28Å; W96-K101 WeakPolarHBondContact CZ3-O 3.49Å; W96-K101 PolarHBondContact O-N 3.25Å; W96-K101 VanDerWaalsContact O-N 3.09Å; A99-K101 HydrophobicContact CB-CG 3.93Å; A99-K101 PolarHBondContact O-N 3.28Å; K101-L106 HydrophobicContact CB-CD1 4.05Å; K101-L106 HydrophobicContact CD-CD1 3.88Å; K101-L106 HydrophobicContact CG-CD1 3.86Å
102	T	98.5	Very high	98.2	Very high	4 Å²	4	36.9 Å²	36.9	3%	0.025	20%	0.201	C	C	.	.			trans	-135.5	-4.8	-178.6	57.4	0	0	0	0	113.5	L137 G138 V140 F143 Y152 C155	T102-L137 WeakPolarHBondContact O-CB 3.49Å; T102-L137 PolarHBondContact O-N 3.34Å; T102-L137 VanDerWaalsContact O-N 3.09Å; T102-G138 VanDerWaalsContact CB-O 3.3Å; T102-G138 WeakPolarHBondContact CB-O 3.41Å; T102-G138 WeakPolarHBondContact CG2-O 3.29Å; T102-V140 HydrophobicContact CG2-CG2 4.12Å; T102-F143 HydrophobicContact CG2-CB 3.66Å; T102-F143 HydrophobicContact CG2-CG 4.48Å; T102-Y152 WeakPolarHBondContact CB-OH 3.47Å; T102-Y152 HydrophobicContact CG2-CE2 4.02Å; T102-Y152 PolarHBondContact OG1-OH 3.21Å; T102-C155 WeakPolarHBondContact OG1-CB 3.4Å
103	D	98.3	Very high	98.1	Very high	17 Å²	17	40.9 Å²	40.9	9%	0.091	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-86.4	113.6	173.9	-177.5	10.2	0	0	0	111.5	W96 K105 L106 G135 C155	W96-D103 PolarHBondContact NE1-O 3.42Å; D103-K105 PolarHBondContact O-N 3.43Å; D103-K105 VanDerWaalsContact OD1-CB 3.31Å; D103-K105 WeakPolarHBondContact OD1-CB 3.31Å; D103-K105 WeakPolarHBondContact OD1-CG 3.42Å; D103-K105 PolarHBondContact OD1-N 3.06Å; D103-L106 HydrophobicContact CB-CD1 4.29Å; D103-L106 HydrophobicContact CB-CG 4.23Å; D103-L106 PolarHBondContact O-N 3.21Å; D103-G135 WeakPolarHBondContact CA-O 3.17Å; D103-C155 HydrophobicContact CB-CB 3.92Å
104	A	98.1	Very high	97.8	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-24.3	176.5	0	0	0	0	0	113	L106 L107 Q108 W115 G135 L137	A104-L106 PolarHBondContact O-N 2.75Å; A104-L107 WeakPolarHBondContact O-CB 2.96Å; A104-L107 PolarHBondContact O-N 2.79Å; A104-Q108 WeakPolarHBondContact O-CG 3.34Å; A104-Q108 PolarHBondContact O-N 3.24Å; A104-W115 HydrophobicContact CB-CB 4.02Å; A104-G135 PolarHBondContact N-O 3.04Å; A104-L137 HydrophobicContact CB-CD1 4.11Å; A104-L137 HydrophobicContact CB-CG 4.38Å
105	K	98.1	Very high	97.7	Very high	95 Å²	95	43 Å²	43	41%	0.413	23%	0.229	S	C	.	.	H	α-helix	trans	-62.6	-28	178.8	-64.1	166.6	-179.3	151.9	0	112.6	D103 L107 Q108 A109 V134	D103-K105 PolarHBondContact O-N 3.43Å; D103-K105 VanDerWaalsContact OD1-CB 3.31Å; D103-K105 WeakPolarHBondContact OD1-CB 3.31Å; D103-K105 WeakPolarHBondContact OD1-CG 3.42Å; D103-K105 PolarHBondContact OD1-N 3.06Å; K105-L107 VanDerWaalsContact C-N 3.28Å; K105-L107 PolarHBondContact O-N 2.92Å; K105-Q108 PolarHBondContact O-N 3.06Å; K105-A109 WeakPolarHBondContact O-CB 3.36Å; K105-A109 PolarHBondContact O-N 3.38Å; K105-V134 WeakPolarHBondContact CE-O 3.47Å; K105-V134 PolarHBondContact NZ-O 2.95Å
106	L	98	Very high	97.5	Very high	78 Å²	78	44.6 Å²	44.6	41%	0.408	24%	0.238	S	C	.	.	H	α-helix	trans	-64.7	-33.8	174.9	-61.9	176.9	0	0	0	111.9	K101 D103 A104	K101-L106 HydrophobicContact CB-CD1 4.05Å; K101-L106 HydrophobicContact CD-CD1 3.88Å; K101-L106 HydrophobicContact CG-CD1 3.86Å; D103-L106 HydrophobicContact CB-CD1 4.29Å; D103-L106 HydrophobicContact CB-CG 4.23Å; D103-L106 PolarHBondContact O-N 3.21Å; A104-L106 PolarHBondContact O-N 2.75Å
107	L	98.2	Very high	97.3	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	25%	0.25	C	C	.	.	H	α-helix	trans	-77	-42	173.5	-68.1	173.7	0	0	0	111.1	E92 W96 A104 K105 A109 K110 N111 V112 W115	E92-L107 HydrophobicContact CB-CD2 4.44Å; W96-L107 HydrophobicContact CB-CD2 3.81Å; W96-L107 HydrophobicContact CB-CG 4.31Å; W96-L107 HydrophobicContact CD2-CD1 4.09Å; W96-L107 HydrophobicContact CD2-CG 4.37Å; W96-L107 HydrophobicContact CG-CD1 4.17Å; W96-L107 HydrophobicContact CG-CD2 4.03Å; W96-L107 HydrophobicContact CG-CG 3.97Å; A104-L107 WeakPolarHBondContact O-CB 2.96Å; A104-L107 PolarHBondContact O-N 2.79Å; K105-L107 VanDerWaalsContact C-N 3.28Å; K105-L107 PolarHBondContact O-N 2.92Å; L107-A109 VanDerWaalsContact C-N 3.3Å; L107-A109 PolarHBondContact O-N 2.79Å; L107-K110 CarbonylContact O-C 3.42Å; L107-K110 WeakPolarHBondContact O-CA 3.42Å; L107-K110 WeakPolarHBondContact O-CB 3.16Å; L107-K110 PolarHBondContact O-N 3.1Å; L107-N111 PolarHBondContact O-N 2.79Å; L107-V112 CarbonylContact C-O 3.52Å; L107-V112 HydrophobicContact CB-CB 4.14Å; L107-V112 HydrophobicContact CB-CG1 4.31Å; L107-V112 WeakPolarHBondContact CB-O 3.34Å; L107-V112 HydrophobicContact CD2-CB 4.5Å; L107-V112 HydrophobicContact CD2-CG1 4.34Å; L107-V112 PolarHBondContact O-N 2.83Å; L107-W115 HydrophobicContact CD1-CG 4.48Å
108	Q	97.8	Very high	97.1	Very high	62 Å²	62	45.9 Å²	45.9	29%	0.29	25%	0.253	S	S	.	.	H	α-helix	trans	-59	-40.8	176.5	-68	166.6	-4.1	0	0	112	A104 K105 K110 N111 V112 D116	A104-Q108 WeakPolarHBondContact O-CG 3.34Å; A104-Q108 PolarHBondContact O-N 3.24Å; K105-Q108 PolarHBondContact O-N 3.06Å; Q108-K110 PolarHBondContact O-N 2.81Å; Q108-K110 VanDerWaalsContact O-N 3.12Å; Q108-N111 WeakPolarHBondContact O-CA 3.3Å; Q108-N111 PolarHBondContact O-N 3Å; Q108-V112 PolarHBondContact N-O 3.26Å; Q108-D116 VanDerWaalsContact CG-OD1 3.3Å; Q108-D116 WeakPolarHBondContact CG-OD1 3.41Å; Q108-D116 PolarHBondContact NE2-OD1 2.96Å
109	A	98	Very high	96.9	Very high	90 Å²	90	45.9 Å²	45.9	74%	0.744	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.9	174.5	0	0	0	0	0	113	K105 L107	K105-A109 WeakPolarHBondContact O-CB 3.36Å; K105-A109 PolarHBondContact O-N 3.38Å; L107-A109 VanDerWaalsContact C-N 3.3Å; L107-A109 PolarHBondContact O-N 2.79Å
110	K	97.5	Very high	96.9	Very high	93 Å²	93	45.4 Å²	45.4	40%	0.404	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	11.3	173.9	-60.9	-172	176	-154.5	0	113.4	E92 L107 Q108 V112	E92-K110 VanDerWaalsContact CD-CD 3.5Å; E92-K110 HydrophobicContact CG-CD 4.38Å; E92-K110 IonicContact OE1-NZ 3.55Å; E92-K110 VanDerWaalsContact OE2-CD 3.24Å; E92-K110 WeakPolarHBondContact OE2-CD 3.19Å; E92-K110 IonicContact OE2-NZ 2.7Å; E92-K110 PolarHBondContact OE2-NZ 2.84Å; L107-K110 CarbonylContact O-C 3.42Å; L107-K110 WeakPolarHBondContact O-CA 3.42Å; L107-K110 WeakPolarHBondContact O-CB 3.16Å; L107-K110 PolarHBondContact O-N 3.1Å; Q108-K110 PolarHBondContact O-N 2.81Å; Q108-K110 VanDerWaalsContact O-N 3.12Å; K110-V112 VanDerWaalsContact C-N 3.3Å; K110-V112 PolarHBondContact O-N 3.04Å
111	N	97.1	Very high	96.8	Very high	111 Å²	111	48.9 Å²	48.9	59%	0.594	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	37.7	-175.6	-164.3	49.8	0	0	0	113.2	L107 Q108 H113	L107-N111 PolarHBondContact O-N 2.79Å; Q108-N111 WeakPolarHBondContact O-CA 3.3Å; Q108-N111 PolarHBondContact O-N 3Å; N111-H113 PolarHBondContact OD1-NE2 3.36Å
112	V	97.2	Very high	96.7	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.018	27%	0.272	C	S	.	.			trans	-114.6	110	174.2	177.3	0	0	0	0	108.4	A89 E92 L107 Q108 K110 I114	A89-V112 HydrophobicContact CB-CG1 3.9Å; A89-V112 HydrophobicContact CB-CG2 4.37Å; E92-V112 HydrophobicContact CB-CG2 4.08Å; E92-V112 HydrophobicContact CG-CG2 4.4Å; L107-V112 CarbonylContact C-O 3.52Å; L107-V112 HydrophobicContact CB-CB 4.14Å; L107-V112 HydrophobicContact CB-CG1 4.31Å; L107-V112 WeakPolarHBondContact CB-O 3.34Å; L107-V112 HydrophobicContact CD2-CB 4.5Å; L107-V112 HydrophobicContact CD2-CG1 4.34Å; L107-V112 PolarHBondContact O-N 2.83Å; Q108-V112 PolarHBondContact N-O 3.26Å; K110-V112 VanDerWaalsContact C-N 3.3Å; K110-V112 PolarHBondContact O-N 3.04Å; V112-I114 HydrophobicContact CG1-CD1 3.97Å; V112-I114 HydrophobicContact CG1-CG1 4.02Å; V112-I114 HydrophobicContact CG1-CG2 4.33Å
113	H	95.9	Very high	96.6	Very high	91 Å²	91	52 Å²	52	42%	0.421	27%	0.273	S	S	.	.			trans	-111	18.4	-166.8	-59.9	-61.3	0	0	0	113.6	N111 W115 D116	N111-H113 PolarHBondContact OD1-NE2 3.36Å; H113-W115 PolarHBondContact O-N 2.8Å; H113-D116 WeakPolarHBondContact CB-OD2 3.31Å; H113-D116 IonicContact CG-OD2 2.67Å; H113-D116 IonicContact ND1-OD1 2.92Å; H113-D116 IonicContact ND1-OD2 3.07Å; H113-D116 PolarHBondContact ND1-OD2 2.75Å; H113-D116 WeakPolarHBondContact O-CB 3.45Å; H113-D116 PolarHBondContact O-N 2.92Å
114	I	93.9	Very high	96.5	Very high	41 Å²	41	51.2 Å²	51.2	21%	0.21	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.2	-174.5	63.6	-172.7	0	0	0	113.3	A89 E93 V112 F233	A89-I114 HydrophobicContact CB-CG2 4.33Å; E93-I114 HydrophobicContact CB-CD1 3.69Å; E93-I114 HydrophobicContact CG-CD1 3.71Å; E93-I114 WeakPolarHBondContact OE1-CD1 3.36Å; V112-I114 HydrophobicContact CG1-CD1 3.97Å; V112-I114 HydrophobicContact CG1-CG1 4.02Å; V112-I114 HydrophobicContact CG1-CG2 4.33Å; I114-F233 HydrophobicContact CG2-CE1 4.5Å
115	W	96	Very high	96.5	Very high	17 Å²	17	54.4 Å²	54.4	6%	0.064	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	3.4	-179.7	-76.6	100.7	0	0	0	113.7	E93 F97 A104 L107 H113 G117 N118 S119 L137 Y141 L198	E93-W115 PolarHBondContact OE1-NE1 2.97Å; F97-W115 HydrophobicContact CZ-CZ2 4.43Å; A104-W115 HydrophobicContact CB-CB 4.02Å; L107-W115 HydrophobicContact CD1-CG 4.48Å; H113-W115 PolarHBondContact O-N 2.8Å; W115-G117 PolarHBondContact O-N 2.77Å; W115-N118 HydrophobicContact CE3-CB 4.04Å; W115-N118 HydrophobicContact CZ3-CB 4.28Å; W115-N118 PolarHBondContact O-N 2.8Å; W115-S119 WeakPolarHBondContact O-CB 3.46Å; W115-S119 PolarHBondContact O-N 3.37Å; W115-S119 VanDerWaalsContact O-N 3.07Å; W115-S119 PolarHBondContact O-OG 3.25Å; W115-L137 HydrophobicContact CB-CD1 4.06Å; W115-L137 HydrophobicContact CD2-CD1 3.69Å; W115-L137 HydrophobicContact CD2-CD2 4.49Å; W115-L137 HydrophobicContact CE3-CD1 3.66Å; W115-L137 HydrophobicContact CE3-CD2 3.71Å; W115-L137 HydrophobicContact CE3-CG 4.34Å; W115-L137 HydrophobicContact CG-CD1 3.85Å; W115-L137 HydrophobicContact CZ3-CD1 4.46Å; W115-L137 HydrophobicContact CZ3-CD2 4.36Å; W115-Y141 HydrophobicContact CH2-CD2 4.41Å; W115-Y141 AromaticContact CH2-CE2 3.61Å; W115-Y141 HydrophobicContact CH2-CE2 3.61Å; W115-Y141 HydrophobicContact CZ2-CD2 4.16Å; W115-Y141 AromaticContact CZ2-CE2 3.61Å; W115-Y141 HydrophobicContact CZ2-CE2 3.61Å; W115-L198 HydrophobicContact CZ3-CB 4.34Å; W115-L198 HydrophobicContact CZ3-CD2 4.44Å
116	D	95.5	Very high	96.3	Very high	57 Å²	57	57 Å²	57	31%	0.305	30%	0.296	S	S	.	.	H	α-helix	trans	-62.2	-45.4	-173.8	-76.8	12.5	0	0	0	112.1	Q108 H113 N118 S119 S120	Q108-D116 VanDerWaalsContact CG-OD1 3.3Å; Q108-D116 WeakPolarHBondContact CG-OD1 3.41Å; Q108-D116 PolarHBondContact NE2-OD1 2.96Å; H113-D116 WeakPolarHBondContact CB-OD2 3.31Å; H113-D116 IonicContact CG-OD2 2.67Å; H113-D116 IonicContact ND1-OD1 2.92Å; H113-D116 IonicContact ND1-OD2 3.07Å; H113-D116 PolarHBondContact ND1-OD2 2.75Å; H113-D116 WeakPolarHBondContact O-CB 3.45Å; H113-D116 PolarHBondContact O-N 2.92Å; D116-N118 VanDerWaalsContact C-N 3.33Å; D116-N118 PolarHBondContact O-N 3.32Å; D116-S119 PolarHBondContact O-N 3.45Å; D116-S119 PolarHBondContact O-OG 3.29Å; D116-S120 PolarHBondContact O-N 2.82Å; D116-S120 VanDerWaalsContact O-N 3.15Å
117	G	93	Very high	96.1	Very high	27 Å²	27	57.2 Å²	57.2	28%	0.278	30%	0.297	S	S	.	.	H	α-helix	trans	-57.2	-46.4	178.7	0	0	0	0	0	112.1	W115 S119 S120 F123	W115-G117 PolarHBondContact O-N 2.77Å; G117-S119 VanDerWaalsContact C-N 3.33Å; G117-S119 PolarHBondContact O-N 2.78Å; G117-S120 PolarHBondContact O-OG 2.96Å; G117-S120 VanDerWaalsContact O-OG 3.12Å; G117-F123 WeakPolarHBondContact O-CB 3.49Å; G117-F123 WeakPolarHBondContact O-CG 3.44Å
118	N	93.9	Very high	96	Very high	13 Å²	13	59.7 Å²	59.7	7%	0.07	32%	0.323	C	S	.	.	H	α-helix	trans	-81	-7.9	-176.9	-55.8	109.7	0	0	0	114.6	W115 D116 F123 L137	W115-N118 HydrophobicContact CE3-CB 4.04Å; W115-N118 HydrophobicContact CZ3-CB 4.28Å; W115-N118 PolarHBondContact O-N 2.8Å; D116-N118 VanDerWaalsContact C-N 3.33Å; D116-N118 PolarHBondContact O-N 3.32Å; N118-F123 HydrophobicContact CB-CD1 4.35Å; N118-F123 HydrophobicContact CB-CE1 4.13Å; N118-F123 HydrophobicContact CB-CZ 4.49Å; N118-F123 VanDerWaalsContact ND2-CZ 3.32Å; N118-F123 WeakPolarHBondContact ND2-CZ 3.4Å; N118-F123 VanDerWaalsContact O-CD1 3.28Å; N118-F123 WeakPolarHBondContact O-CD1 3.45Å; N118-L137 HydrophobicContact CB-CD2 4.28Å
119	S	95.9	Very high	96	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.007	32%	0.315	C	S	.	.	H	α-helix	trans	-112.3	-1.3	-179.4	61.1	0	0	0	0	113.9	W115 D116 G117 G135	W115-S119 WeakPolarHBondContact O-CB 3.46Å; W115-S119 PolarHBondContact O-N 3.37Å; W115-S119 VanDerWaalsContact O-N 3.07Å; W115-S119 PolarHBondContact O-OG 3.25Å; D116-S119 PolarHBondContact O-N 3.45Å; D116-S119 PolarHBondContact O-OG 3.29Å; G117-S119 VanDerWaalsContact C-N 3.33Å; G117-S119 PolarHBondContact O-N 2.78Å; S119-G135 PolarHBondContact O-N 2.75Å
120	S	96.7	Very high	95.9	Very high	40 Å²	40	58.9 Å²	58.9	28%	0.28	31%	0.31	S	S	.	.	S	Bend	trans	-65.5	153.5	177.5	70.1	0	0	0	0	112.6	D116 G117 E122 F123 L124	D116-S120 PolarHBondContact O-N 2.82Å; D116-S120 VanDerWaalsContact O-N 3.15Å; G117-S120 PolarHBondContact O-OG 2.96Å; G117-S120 VanDerWaalsContact O-OG 3.12Å; S120-E122 VanDerWaalsContact C-N 3.31Å; S120-E122 PolarHBondContact O-N 2.86Å; S120-F123 PolarHBondContact O-N 2.6Å; S120-F123 VanDerWaalsContact OG-CB 3.23Å; S120-F123 WeakPolarHBondContact OG-CB 3.35Å; S120-F123 PolarHBondContact OG-N 2.65Å; S120-L124 WeakPolarHBondContact O-CB 3.27Å; S120-L124 VanDerWaalsContact O-CG 3.32Å; S120-L124 WeakPolarHBondContact O-CG 3.34Å; S120-L124 PolarHBondContact O-N 3.01Å
121	R	97.7	Very high	95.9	Very high	81 Å²	81	58.2 Å²	58.2	31%	0.306	33%	0.33	S	S	.	.	H	α-helix	trans	-55.8	-46.5	176.2	179.2	66.6	-83.2	151.9	1.8	111.6	F123 L124 D125 F129 R132 V134	R121-F123 PolarHBondContact O-N 3.11Å; R121-L124 PolarHBondContact O-N 3.41Å; R121-D125 IonicContact CZ-OD1 3.94Å; R121-D125 IonicContact CZ-OD2 3.76Å; R121-D125 IonicContact NE-OD1 3.66Å; R121-D125 PolarHBondContact NE-OD1 3.22Å; R121-D125 IonicContact NE-OD2 3.04Å; R121-D125 PolarHBondContact NE-OD2 3.12Å; R121-D125 IonicContact NH2-OD1 2.89Å; R121-D125 PolarHBondContact NH2-OD1 3.31Å; R121-D125 WeakPolarHBondContact O-CB 3.48Å; R121-D125 VanDerWaalsContact O-CG 3.24Å; R121-D125 PolarHBondContact O-N 2.9Å; R121-F129 PolarHBondContact NH2-O 3.35Å; R121-R132 PolarHBondContact NH1-O 3.34Å; R121-V134 HydrophobicContact CB-CG2 3.91Å
122	E	96.5	Very high	95.9	Very high	163 Å²	163	54.8 Å²	54.8	76%	0.762	31%	0.309	S	S	*	.	H	α-helix	trans	-58.8	-47	179.1	-177.3	-179.6	176	0	0	111.9	S120 D125 K126	S120-E122 VanDerWaalsContact C-N 3.31Å; S120-E122 PolarHBondContact O-N 2.86Å; E122-D125 PolarHBondContact O-N 2.72Å; E122-K126 WeakPolarHBondContact O-CB 3.3Å; E122-K126 PolarHBondContact O-N 3.22Å
123	F	94.8	Very high	95.9	Very high	9 Å²	9	57 Å²	57	4%	0.039	33%	0.328	C	S	.	.	H	α-helix	trans	-66.8	-43.8	179.4	-171.6	-86.5	0	0	0	112	G117 N118 S120 R121 D125 K126 M127 A197 V321	G117-F123 WeakPolarHBondContact O-CB 3.49Å; G117-F123 WeakPolarHBondContact O-CG 3.44Å; N118-F123 HydrophobicContact CB-CD1 4.35Å; N118-F123 HydrophobicContact CB-CE1 4.13Å; N118-F123 HydrophobicContact CB-CZ 4.49Å; N118-F123 VanDerWaalsContact ND2-CZ 3.32Å; N118-F123 WeakPolarHBondContact ND2-CZ 3.4Å; N118-F123 VanDerWaalsContact O-CD1 3.28Å; N118-F123 WeakPolarHBondContact O-CD1 3.45Å; S120-F123 PolarHBondContact O-N 2.6Å; S120-F123 VanDerWaalsContact OG-CB 3.23Å; S120-F123 WeakPolarHBondContact OG-CB 3.35Å; S120-F123 PolarHBondContact OG-N 2.65Å; R121-F123 PolarHBondContact O-N 3.11Å; F123-D125 VanDerWaalsContact C-N 3.32Å; F123-D125 PolarHBondContact O-N 2.74Å; F123-K126 WeakPolarHBondContact O-CB 3.45Å; F123-K126 PolarHBondContact O-N 3.29Å; F123-M127 HydrophobicContact CD1-CG 3.96Å; F123-M127 HydrophobicContact CE1-CG 3.59Å; F123-M127 HydrophobicContact CE1-SD 4.42Å; F123-M127 HydrophobicContact CZ-CG 4.07Å; F123-M127 HydrophobicContact CZ-SD 4.35Å; F123-M127 WeakPolarHBondContact O-CG 3.42Å; F123-M127 PolarHBondContact O-N 2.67Å; F123-A197 WeakPolarHBondContact CE1-O 3.43Å; F123-V321 HydrophobicContact CD2-CG1 3.73Å; F123-V321 HydrophobicContact CE2-CG1 3.91Å
124	L	97.2	Very high	96	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-40.1	177.2	-69.5	177.2	0	0	0	111.7	S120 R121 M127 G128 F129 A197	S120-L124 WeakPolarHBondContact O-CB 3.27Å; S120-L124 VanDerWaalsContact O-CG 3.32Å; S120-L124 WeakPolarHBondContact O-CG 3.34Å; S120-L124 PolarHBondContact O-N 3.01Å; R121-L124 PolarHBondContact O-N 3.41Å; L124-M127 PolarHBondContact O-N 3.08Å; L124-G128 PolarHBondContact O-N 2.62Å; L124-F129 HydrophobicContact CB-CB 4.3Å; L124-F129 HydrophobicContact CD2-CB 4.37Å; L124-F129 HydrophobicContact CD2-CD2 4.14Å; L124-F129 WeakPolarHBondContact O-CA 3.5Å; L124-F129 WeakPolarHBondContact O-CB 3.09Å; L124-F129 PolarHBondContact O-N 3.09Å; L124-A197 HydrophobicContact CD2-CB 4.3Å
125	D	97	Very high	96.1	Very high	68 Å²	68	53.8 Å²	53.8	36%	0.364	32%	0.316	S	S	.	.	H	α-helix	trans	-64.3	-44.4	174.4	-70.5	-21.5	0	0	0	111.9	R121 E122 F123 M127 G128 T130	R121-D125 IonicContact CZ-OD1 3.94Å; R121-D125 IonicContact CZ-OD2 3.76Å; R121-D125 IonicContact NE-OD1 3.66Å; R121-D125 PolarHBondContact NE-OD1 3.22Å; R121-D125 IonicContact NE-OD2 3.04Å; R121-D125 PolarHBondContact NE-OD2 3.12Å; R121-D125 IonicContact NH2-OD1 2.89Å; R121-D125 PolarHBondContact NH2-OD1 3.31Å; R121-D125 WeakPolarHBondContact O-CB 3.48Å; R121-D125 VanDerWaalsContact O-CG 3.24Å; R121-D125 PolarHBondContact O-N 2.9Å; E122-D125 PolarHBondContact O-N 2.72Å; F123-D125 VanDerWaalsContact C-N 3.32Å; F123-D125 PolarHBondContact O-N 2.74Å; D125-M127 PolarHBondContact O-N 2.85Å; D125-G128 PolarHBondContact O-N 3.32Å; D125-T130 WeakPolarHBondContact OD1-CA 3.31Å
126	K	94.9	Very high	96.3	Very high	148 Å²	148	53.3 Å²	53.3	64%	0.643	32%	0.315	S	S	*	.	H	α-helix	trans	-57.6	-34.4	175	-177	178.9	178	-179.8	0	112.1	E122 F123 G128	E122-K126 WeakPolarHBondContact O-CB 3.3Å; E122-K126 PolarHBondContact O-N 3.22Å; F123-K126 WeakPolarHBondContact O-CB 3.45Å; F123-K126 PolarHBondContact O-N 3.29Å; K126-G128 VanDerWaalsContact C-N 3.32Å
127	M	94.1	Very high	96.4	Very high	84 Å²	84	50.6 Å²	50.6	41%	0.414	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	0.2	176.7	-64.9	-56.3	-62.8	0	0	114	F123 L124 D125 F129	F123-M127 HydrophobicContact CD1-CG 3.96Å; F123-M127 HydrophobicContact CE1-CG 3.59Å; F123-M127 HydrophobicContact CE1-SD 4.42Å; F123-M127 HydrophobicContact CZ-CG 4.07Å; F123-M127 HydrophobicContact CZ-SD 4.35Å; F123-M127 WeakPolarHBondContact O-CG 3.42Å; F123-M127 PolarHBondContact O-N 2.67Å; L124-M127 PolarHBondContact O-N 3.08Å; D125-M127 PolarHBondContact O-N 2.85Å; M127-F129 HydrophobicContact CB-CD2 3.64Å; M127-F129 HydrophobicContact CB-CE2 3.7Å
128	G	96.4	Very high	96.6	Very high	55 Å²	55	49.3 Å²	49.3	57%	0.567	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	8.2	179.3	0	0	0	0	0	115.1	L124 D125 K126 T130	L124-G128 PolarHBondContact O-N 2.62Å; D125-G128 PolarHBondContact O-N 3.32Å; K126-G128 VanDerWaalsContact C-N 3.32Å; G128-T130 VanDerWaalsContact C-N 3.31Å; G128-T130 PolarHBondContact O-N 2.95Å
129	F	96.8	Very high	96.9	Very high	30 Å²	30	48.7 Å²	48.7	13%	0.132	28%	0.284	C	S	.	.			trans	-91.3	49.9	179.9	-55.9	-53.9	0	0	0	112.6	R121 L124 M127 G131 R132 P194 M196	R121-F129 PolarHBondContact NH2-O 3.35Å; L124-F129 HydrophobicContact CB-CB 4.3Å; L124-F129 HydrophobicContact CD2-CB 4.37Å; L124-F129 HydrophobicContact CD2-CD2 4.14Å; L124-F129 WeakPolarHBondContact O-CA 3.5Å; L124-F129 WeakPolarHBondContact O-CB 3.09Å; L124-F129 PolarHBondContact O-N 3.09Å; M127-F129 HydrophobicContact CB-CD2 3.64Å; M127-F129 HydrophobicContact CB-CE2 3.7Å; F129-G131 VanDerWaalsContact C-N 3.26Å; F129-G131 PolarHBondContact O-N 3.48Å; F129-R132 HydrophobicContact CB-CB 3.83Å; F129-R132 WeakPolarHBondContact O-CB 3.24Å; F129-R132 PolarHBondContact O-N 3.2Å; F129-P194 WeakPolarHBondContact CE1-O 3.35Å; F129-P194 WeakPolarHBondContact CZ-O 3.49Å; F129-M196 WeakPolarHBondContact CE2-O 3.28Å
130	T	96.5	Very high	97	Very high	104 Å²	104	48.7 Å²	48.7	64%	0.638	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.5	-173.7	56.8	0	0	0	0	114.2	D125 G128	D125-T130 WeakPolarHBondContact OD1-CA 3.31Å; G128-T130 VanDerWaalsContact C-N 3.31Å; G128-T130 PolarHBondContact O-N 2.95Å
131	G	95.9	Very high	97.1	Very high	79 Å²	79	47 Å²	47	81%	0.814	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-5.6	176.4	0	0	0	0	0	115.4	F129	F129-G131 VanDerWaalsContact C-N 3.26Å; F129-G131 PolarHBondContact O-N 3.48Å
132	R	97.3	Very high	97.1	Very high	39 Å²	39	43.2 Å²	43.2	15%	0.147	26%	0.257	C	S	.	.	S	Bend	trans	-80.5	139.4	-177.5	-175.5	169.6	-61	171	-3.4	110.9	R121 F129 D136 K195	R121-R132 PolarHBondContact NH1-O 3.34Å; F129-R132 HydrophobicContact CB-CB 3.83Å; F129-R132 WeakPolarHBondContact O-CB 3.24Å; F129-R132 PolarHBondContact O-N 3.2Å; R132-D136 WeakPolarHBondContact CD-O 3.46Å; R132-D136 HydrophobicContact CG-CB 3.65Å; R132-K195 PolarHBondContact NH1-O 3.31Å; R132-K195 PolarHBondContact NH2-O 3.45Å
133	A	97.9	Very high	97.2	Very high	51 Å²	51	35.5 Å²	35.5	42%	0.421	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-65.6	144.3	177.4	0	0	0	0	0	111.5	G135 D136	A133-G135 PolarHBondContact O-N 2.86Å; A133-D136 WeakPolarHBondContact O-CB 3.33Å; A133-D136 PolarHBondContact O-N 3.1Å; A133-D136 VanDerWaalsContact O-N 3.09Å
134	V	97.8	Very high	97.4	Very high	64 Å²	64	35 Å²	35	39%	0.388	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	134.8	170.3	173.8	0	0	0	0	108.8	K105 R121	K105-V134 WeakPolarHBondContact CE-O 3.47Å; K105-V134 PolarHBondContact NZ-O 2.95Å; R121-V134 HydrophobicContact CB-CG2 3.91Å
135	G	97.3	Very high	97.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	95	-28.4	-174.1	0	0	0	0	0	114.5	D103 A104 S119 A133 L137	D103-G135 WeakPolarHBondContact CA-O 3.17Å; A104-G135 PolarHBondContact N-O 3.04Å; S119-G135 PolarHBondContact O-N 2.75Å; A133-G135 PolarHBondContact O-N 2.86Å; G135-L137 PolarHBondContact O-N 3.43Å
136	D	98.4	Very high	97.5	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.032	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-74.9	108.5	178.8	-176.3	-10.7	0	0	0	109.9	R132 A133 G138 Y152 C155	R132-D136 WeakPolarHBondContact CD-O 3.46Å; R132-D136 HydrophobicContact CG-CB 3.65Å; A133-D136 WeakPolarHBondContact O-CB 3.33Å; A133-D136 PolarHBondContact O-N 3.1Å; A133-D136 VanDerWaalsContact O-N 3.09Å; D136-G138 VanDerWaalsContact C-N 3.28Å; D136-G138 PolarHBondContact O-N 2.87Å; D136-G138 PolarHBondContact OD1-N 3.47Å; D136-Y152 WeakPolarHBondContact OD1-CE1 3.47Å; D136-Y152 PolarHBondContact OD1-OH 3.38Å; D136-C155 HydrophobicContact CB-CB 4.06Å; D136-C155 PolarHBondContact OD2-N 3.38Å
137	L	98.3	Very high	97.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	18%	0.182	C	C	.	.			trans	-83.3	-3.8	-179.4	-68.4	166.3	0	0	0	113.1	W96 T102 A104 W115 N118 G135 V140 A197	W96-L137 HydrophobicContact CH2-CD1 3.64Å; W96-L137 HydrophobicContact CZ2-CD1 3.97Å; T102-L137 WeakPolarHBondContact O-CB 3.49Å; T102-L137 PolarHBondContact O-N 3.34Å; T102-L137 VanDerWaalsContact O-N 3.09Å; A104-L137 HydrophobicContact CB-CD1 4.11Å; A104-L137 HydrophobicContact CB-CG 4.38Å; W115-L137 HydrophobicContact CB-CD1 4.06Å; W115-L137 HydrophobicContact CD2-CD1 3.69Å; W115-L137 HydrophobicContact CD2-CD2 4.49Å; W115-L137 HydrophobicContact CE3-CD1 3.66Å; W115-L137 HydrophobicContact CE3-CD2 3.71Å; W115-L137 HydrophobicContact CE3-CG 4.34Å; W115-L137 HydrophobicContact CG-CD1 3.85Å; W115-L137 HydrophobicContact CZ3-CD1 4.46Å; W115-L137 HydrophobicContact CZ3-CD2 4.36Å; N118-L137 HydrophobicContact CB-CD2 4.28Å; G135-L137 PolarHBondContact O-N 3.43Å; L137-V140 HydrophobicContact CB-CG1 3.96Å; L137-V140 HydrophobicContact CB-CG2 3.99Å; L137-V140 VanDerWaalsContact O-CG1 3.3Å; L137-V140 WeakPolarHBondContact O-CG1 3.37Å; L137-A197 HydrophobicContact CB-CB 4.34Å; L137-A197 HydrophobicContact CD2-CB 3.81Å; L137-A197 WeakPolarHBondContact O-CB 3.19Å; L137-A197 PolarHBondContact O-N 3.43Å
138	G	98.4	Very high	97.9	Very high	0 Å²	0	26 Å²	26	0%	0	17%	0.174	C	C	.	.			trans	75.6	-167.2	-169.8	0	0	0	0	0	112.7	T102 D136 V140 Y152	T102-G138 VanDerWaalsContact CB-O 3.3Å; T102-G138 WeakPolarHBondContact CB-O 3.41Å; T102-G138 WeakPolarHBondContact CG2-O 3.29Å; D136-G138 VanDerWaalsContact C-N 3.28Å; D136-G138 PolarHBondContact O-N 2.87Å; D136-G138 PolarHBondContact OD1-N 3.47Å; G138-V140 PolarHBondContact O-N 3.37Å; G138-Y152 VanDerWaalsContact C-CZ 3.48Å
139	P	98.5	Very high	98	Very high	0 Å²	0	26 Å²	26	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-76.1	60.4	-174.3	32.5	-37.5	0	0	0	112.8	F143 Q144 Y152 D192 K195 M196	P139-F143 HydrophobicContact CB-CB 4.33Å; P139-F143 HydrophobicContact CB-CD1 3.32Å; P139-F143 HydrophobicContact CB-CE1 3.71Å; P139-F143 HydrophobicContact CB-CG 3.87Å; P139-Q144 WeakPolarHBondContact O-CG 3.4Å; P139-Q144 PolarHBondContact O-NE2 3.34Å; P139-Y152 HydrophobicContact CB-CD2 3.58Å; P139-Y152 HydrophobicContact CB-CE2 4.26Å; P139-Y152 HydrophobicContact CB-CG 3.87Å; P139-Y152 HydrophobicContact CG-CD2 4.3Å; P139-Y152 HydrophobicContact CG-CG 4.13Å; P139-D192 HydrophobicContact CB-CB 4.38Å; P139-D192 HydrophobicContact CG-CB 3.8Å; P139-K195 HydrophobicContact CG-CB 3.93Å; P139-M196 HydrophobicContact CG-CG 4.17Å; P139-M196 WeakPolarHBondContact O-CE 3.25Å
140	V	98.4	Very high	98.1	Very high	1 Å²	1	25 Å²	25	1%	0.006	17%	0.171	C	C	.	.			trans	-76.9	-160	-178.6	-63.3	0	0	0	0	112.4	W96 T102 L137 G138 G142 F143 Q144 M196	W96-V140 HydrophobicContact CH2-CG2 3.83Å; W96-V140 HydrophobicContact CZ3-CG2 4.17Å; T102-V140 HydrophobicContact CG2-CG2 4.12Å; L137-V140 HydrophobicContact CB-CG1 3.96Å; L137-V140 HydrophobicContact CB-CG2 3.99Å; L137-V140 VanDerWaalsContact O-CG1 3.3Å; L137-V140 WeakPolarHBondContact O-CG1 3.37Å; G138-V140 PolarHBondContact O-N 3.37Å; V140-G142 PolarHBondContact O-N 2.87Å; V140-F143 WeakPolarHBondContact O-CB 3.08Å; V140-F143 PolarHBondContact O-N 3.04Å; V140-Q144 PolarHBondContact O-N 3.42Å; V140-M196 HydrophobicContact CG1-CB 4.1Å; V140-M196 HydrophobicContact CG1-CG 4.17Å
141	Y	98.6	Very high	98.2	Very high	6 Å²	6	28.2 Å²	28.2	2%	0.024	18%	0.179	C	C	.	.	H	α-helix	trans	-48	-59.8	-167.1	-52.4	-82.4	0	0	0	115	F97 W115 F143 Q144 W145 A187 P200 C201 H202	F97-Y141 HydrophobicContact CD1-CD2 4.26Å; F97-Y141 HydrophobicContact CD1-CG 4.38Å; F97-Y141 AromaticContact CE1-CD2 3.47Å; F97-Y141 HydrophobicContact CE1-CD2 3.47Å; F97-Y141 VanDerWaalsContact CE1-CD2 3.47Å; F97-Y141 HydrophobicContact CE1-CE2 4.4Å; F97-Y141 AromaticContact CE1-CG 3.98Å; F97-Y141 HydrophobicContact CE1-CG 3.98Å; F97-Y141 AromaticContact CZ-CD2 3.65Å; F97-Y141 HydrophobicContact CZ-CD2 3.65Å; F97-Y141 HydrophobicContact CZ-CE2 4.25Å; F97-Y141 HydrophobicContact CZ-CG 4.13Å; W115-Y141 HydrophobicContact CH2-CD2 4.41Å; W115-Y141 AromaticContact CH2-CE2 3.61Å; W115-Y141 HydrophobicContact CH2-CE2 3.61Å; W115-Y141 HydrophobicContact CZ2-CD2 4.16Å; W115-Y141 AromaticContact CZ2-CE2 3.61Å; W115-Y141 HydrophobicContact CZ2-CE2 3.61Å; Y141-F143 VanDerWaalsContact C-N 3.28Å; Y141-F143 PolarHBondContact O-N 3.18Å; Y141-Q144 PolarHBondContact O-N 2.77Å; Y141-Q144 VanDerWaalsContact O-N 3.09Å; Y141-W145 VanDerWaalsContact O-CG 3.26Å; Y141-W145 PolarHBondContact O-N 3.44Å; Y141-A187 HydrophobicContact CD1-CB 3.98Å; Y141-P200 HydrophobicContact CD1-CB 3.98Å; Y141-P200 VanDerWaalsContact CE1-CA 3.46Å; Y141-P200 HydrophobicContact CE1-CB 3.47Å; Y141-P200 VanDerWaalsContact CE1-CB 3.47Å; Y141-P200 HydrophobicContact CE1-CG 4.44Å; Y141-C201 PolarHBondContact OH-N 3.01Å; Y141-H202 AromaticContact CD1-CE1 3.21Å; Y141-H202 WeakPolarHBondContact CD1-CE1 3.49Å; Y141-H202 AromaticContact CD1-ND1 3.43Å; Y141-H202 WeakPolarHBondContact CD1-ND1 3.29Å; Y141-H202 AromaticContact CE1-CE1 3.07Å; Y141-H202 WeakPolarHBondContact CE1-CE1 3.3Å; Y141-H202 AromaticContact CE1-CG 3.96Å; Y141-H202 AromaticContact CE1-ND1 3.29Å; Y141-H202 VanDerWaalsContact CE1-ND1 3.29Å; Y141-H202 WeakPolarHBondContact CE1-ND1 3.43Å; Y141-H202 AromaticContact CE1-NE2 3.61Å; Y141-H202 AromaticContact CE2-CE1 3.99Å; Y141-H202 AromaticContact CG-CE1 3.73Å; Y141-H202 AromaticContact CZ-CE1 3.49Å; Y141-H202 VanDerWaalsContact CZ-CE1 3.49Å; Y141-H202 AromaticContact CZ-NE2 3.61Å
142	G	98	Very high	98.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.6	-41	-177.2	0	0	0	0	0	112.6	F97 V140 Q144 W145 R146	F97-G142 WeakPolarHBondContact O-CA 3.19Å; V140-G142 PolarHBondContact O-N 2.87Å; G142-Q144 PolarHBondContact O-N 2.68Å; G142-W145 PolarHBondContact O-N 2.88Å; G142-W145 VanDerWaalsContact O-N 3.14Å; G142-R146 WeakPolarHBondContact O-CG 3.2Å; G142-R146 PolarHBondContact O-N 3.32Å
143	F	98.8	Very high	98.3	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	16%	0.158	C	C	.	.	H	α-helix	trans	-60.4	-46.3	175.4	-172	-91.1	0	0	0	111.9	T102 P139 V140 Y141 W145 R146 H147 A150 Y152 Y159	T102-F143 HydrophobicContact CG2-CB 3.66Å; T102-F143 HydrophobicContact CG2-CG 4.48Å; P139-F143 HydrophobicContact CB-CB 4.33Å; P139-F143 HydrophobicContact CB-CD1 3.32Å; P139-F143 HydrophobicContact CB-CE1 3.71Å; P139-F143 HydrophobicContact CB-CG 3.87Å; V140-F143 WeakPolarHBondContact O-CB 3.08Å; V140-F143 PolarHBondContact O-N 3.04Å; Y141-F143 VanDerWaalsContact C-N 3.28Å; Y141-F143 PolarHBondContact O-N 3.18Å; F143-W145 VanDerWaalsContact C-N 3.25Å; F143-W145 PolarHBondContact O-N 2.86Å; F143-R146 PolarHBondContact O-N 3.33Å; F143-H147 HydrophobicContact CD1-CB 4.35Å; F143-H147 HydrophobicContact CD2-CB 4.12Å; F143-H147 AromaticContact CD2-CD2 3.89Å; F143-H147 HydrophobicContact CE1-CB 4.15Å; F143-H147 HydrophobicContact CE2-CB 3.89Å; F143-H147 HydrophobicContact CG-CB 4.35Å; F143-H147 HydrophobicContact CZ-CB 3.93Å; F143-H147 CarbonylContact O-C 3.59Å; F143-H147 VanDerWaalsContact O-CA 3.26Å; F143-H147 WeakPolarHBondContact O-CA 3.47Å; F143-H147 WeakPolarHBondContact O-CB 3.37Å; F143-H147 PolarHBondContact O-N 2.95Å; F143-A150 HydrophobicContact CE1-CB 4.32Å; F143-A150 HydrophobicContact CZ-CB 3.86Å; F143-Y152 HydrophobicContact CD1-CD2 4.29Å; F143-Y152 AromaticContact CD2-CD2 3.65Å; F143-Y152 HydrophobicContact CD2-CD2 3.65Å; F143-Y152 AromaticContact CD2-CE2 3.86Å; F143-Y152 HydrophobicContact CD2-CE2 3.86Å; F143-Y152 HydrophobicContact CE1-CD2 4.15Å; F143-Y152 AromaticContact CE2-CD2 3.5Å; F143-Y152 HydrophobicContact CE2-CD2 3.5Å; F143-Y152 VanDerWaalsContact CE2-CD2 3.5Å; F143-Y152 HydrophobicContact CE2-CE2 4.08Å; F143-Y152 HydrophobicContact CG-CD2 4.04Å; F143-Y152 HydrophobicContact CG-CE2 4.33Å; F143-Y152 AromaticContact CZ-CD2 3.75Å; F143-Y152 HydrophobicContact CZ-CD2 3.75Å; F143-Y152 HydrophobicContact CZ-CG 4.49Å; F143-Y159 HydrophobicContact CD2-CD2 4.32Å; F143-Y159 HydrophobicContact CD2-CE2 4.38Å; F143-Y159 HydrophobicContact CD2-CG 4.44Å; F143-Y159 AromaticContact CE2-CD1 3.49Å; F143-Y159 HydrophobicContact CE2-CD1 3.49Å; F143-Y159 VanDerWaalsContact CE2-CD1 3.49Å; F143-Y159 AromaticContact CE2-CD2 3.82Å; F143-Y159 HydrophobicContact CE2-CD2 3.82Å; F143-Y159 AromaticContact CE2-CE1 3.53Å; F143-Y159 HydrophobicContact CE2-CE1 3.53Å; F143-Y159 AromaticContact CE2-CE2 3.86Å; F143-Y159 HydrophobicContact CE2-CE2 3.86Å; F143-Y159 AromaticContact CE2-CG 3.62Å; F143-Y159 HydrophobicContact CE2-CG 3.62Å; F143-Y159 AromaticContact CE2-CZ 3.71Å; F143-Y159 AromaticContact CZ-CD1 3.96Å; F143-Y159 HydrophobicContact CZ-CD1 3.96Å; F143-Y159 AromaticContact CZ-CE1 3.92Å; F143-Y159 HydrophobicContact CZ-CE1 3.92Å; F143-Y159 HydrophobicContact CZ-CG 4.49Å
144	Q	98.8	Very high	98.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66	-30.8	176.8	-59.8	-58.3	-34.7	0	0	111.6	P139 V140 Y141 G142 F148 Q166 A187 N189 D192 M196	P139-Q144 WeakPolarHBondContact O-CG 3.4Å; P139-Q144 PolarHBondContact O-NE2 3.34Å; V140-Q144 PolarHBondContact O-N 3.42Å; Y141-Q144 PolarHBondContact O-N 2.77Å; Y141-Q144 VanDerWaalsContact O-N 3.09Å; G142-Q144 PolarHBondContact O-N 2.68Å; Q144-F148 HydrophobicContact CB-CD2 4.23Å; Q144-F148 VanDerWaalsContact O-CB 3.32Å; Q144-F148 WeakPolarHBondContact O-CB 3.31Å; Q144-Q166 PolarHBondContact O-NE2 2.8Å; Q144-A187 HydrophobicContact CB-CB 4.44Å; Q144-N189 VanDerWaalsContact OE1-CB 3.27Å; Q144-N189 PolarHBondContact OE1-ND2 3.03Å; Q144-D192 PolarHBondContact NE2-OD2 3.37Å; Q144-M196 HydrophobicContact CG-CE 3.76Å
145	W	98.7	Very high	98.3	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-71.6	-35.3	178.5	-65.4	5.3	0	0	0	113	L94 F97 Y141 G142 F143 Q166 L167 M185 Y238 L241	L94-W145 HydrophobicContact CD1-CH2 4.13Å; L94-W145 HydrophobicContact CD1-CZ3 4.07Å; F97-W145 HydrophobicContact CB-CE3 3.97Å; F97-W145 HydrophobicContact CB-CH2 4.15Å; F97-W145 HydrophobicContact CB-CZ3 3.71Å; F97-W145 HydrophobicContact CD2-CH2 4.13Å; F97-W145 HydrophobicContact CD2-CZ3 4.49Å; Y141-W145 VanDerWaalsContact O-CG 3.26Å; Y141-W145 PolarHBondContact O-N 3.44Å; G142-W145 PolarHBondContact O-N 2.88Å; G142-W145 VanDerWaalsContact O-N 3.14Å; F143-W145 VanDerWaalsContact C-N 3.25Å; F143-W145 PolarHBondContact O-N 2.86Å; W145-Q166 WeakPolarHBondContact O-CB 3.39Å; W145-Q166 PolarHBondContact O-N 3Å; W145-L167 PolarHBondContact O-N 2.86Å; W145-L167 VanDerWaalsContact O-N 3.16Å; W145-M185 HydrophobicContact CB-SD 3.96Å; W145-M185 HydrophobicContact CD2-CE 3.55Å; W145-M185 HydrophobicContact CD2-CG 4.49Å; W145-M185 HydrophobicContact CD2-SD 3.47Å; W145-M185 HydrophobicContact CE3-CE 3.85Å; W145-M185 HydrophobicContact CE3-SD 3.88Å; W145-M185 HydrophobicContact CG-CE 4.14Å; W145-M185 HydrophobicContact CG-CG 4.09Å; W145-M185 HydrophobicContact CG-SD 3.49Å; W145-M185 HydrophobicContact CH2-CE 3.86Å; W145-M185 HydrophobicContact CZ2-CE 3.57Å; W145-M185 HydrophobicContact CZ3-CE 3.98Å; W145-Y238 WeakPolarHBondContact CZ2-OH 2.95Å; W145-L241 HydrophobicContact CH2-CD2 3.97Å; W145-L241 HydrophobicContact CZ3-CD2 4.13Å
146	R	98.7	Very high	98.3	Very high	26 Å²	26	30 Å²	30	10%	0.098	18%	0.176	C	C	.	.	H	α-helix	trans	-104.8	-23.9	-173.6	-53.6	-49	-58.1	-91.5	0.2	114.2	V98 G142 F143 I164 D165 E297	V98-R146 WeakPolarHBondContact O-CD 3.18Å; V98-R146 PolarHBondContact O-NH1 2.89Å; G142-R146 WeakPolarHBondContact O-CG 3.2Å; G142-R146 PolarHBondContact O-N 3.32Å; F143-R146 PolarHBondContact O-N 3.33Å; R146-I164 CarbonylContact C-O 3.57Å; R146-D165 IonicContact CZ-OD1 3.38Å; R146-D165 IonicContact CZ-OD2 2.73Å; R146-D165 VanDerWaalsContact NE-CG 3.34Å; R146-D165 IonicContact NE-OD1 3.36Å; R146-D165 PolarHBondContact NE-OD1 3.2Å; R146-D165 IonicContact NE-OD2 2.74Å; R146-D165 PolarHBondContact NE-OD2 3.25Å; R146-D165 IonicContact NH2-OD1 2.99Å; R146-D165 IonicContact NH2-OD2 3.3Å; R146-D165 PolarHBondContact NH2-OD2 2.95Å; R146-D165 VanDerWaalsContact O-CA 3.31Å; R146-D165 WeakPolarHBondContact O-CA 3.45Å; R146-E297 IonicContact CZ-OE1 2.86Å; R146-E297 VanDerWaalsContact CZ-OE1 3.27Å; R146-E297 IonicContact NH1-OE1 3.23Å; R146-E297 PolarHBondContact NH1-OE1 2.92Å; R146-E297 IonicContact NH2-OE1 3.27Å; R146-E297 PolarHBondContact NH2-OE1 3.11Å
147	H	98.7	Very high	98.3	Very high	30 Å²	30	33.1 Å²	33.1	14%	0.139	19%	0.192	C	C	.	.	H	α-helix	trans	-138.9	34	-168.3	-49.9	-58.8	0	0	0	112.5	F143 G149 A150 Y159 K162	F143-H147 HydrophobicContact CD1-CB 4.35Å; F143-H147 HydrophobicContact CD2-CB 4.12Å; F143-H147 AromaticContact CD2-CD2 3.89Å; F143-H147 HydrophobicContact CE1-CB 4.15Å; F143-H147 HydrophobicContact CE2-CB 3.89Å; F143-H147 HydrophobicContact CG-CB 4.35Å; F143-H147 HydrophobicContact CZ-CB 3.93Å; F143-H147 CarbonylContact O-C 3.59Å; F143-H147 VanDerWaalsContact O-CA 3.26Å; F143-H147 WeakPolarHBondContact O-CA 3.47Å; F143-H147 WeakPolarHBondContact O-CB 3.37Å; F143-H147 PolarHBondContact O-N 2.95Å; H147-G149 PolarHBondContact O-N 3.29Å; H147-A150 HydrophobicContact CB-CB 4.04Å; H147-A150 VanDerWaalsContact O-CB 3.25Å; H147-A150 WeakPolarHBondContact O-CB 3.4Å; H147-A150 PolarHBondContact O-N 3.25Å; H147-Y159 PolarHBondContact CE1-O 2.89Å; H147-Y159 VanDerWaalsContact CE1-O 3.29Å; H147-Y159 PolarHBondContact ND1-O 3.5Å; H147-Y159 VanDerWaalsContact ND1-O 3.16Å; H147-K162 WeakPolarHBondContact CA-O 3.36Å; H147-K162 PolarHBondContact ND1-O 2.86Å
148	F	98.7	Very high	98.3	Very high	52 Å²	52	38.4 Å²	38.4	23%	0.228	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-54.4	126	-176	-167.2	-86.2	0	0	0	111.4	Q144 A150 G163 I164 Q166 N189	Q144-F148 HydrophobicContact CB-CD2 4.23Å; Q144-F148 VanDerWaalsContact O-CB 3.32Å; Q144-F148 WeakPolarHBondContact O-CB 3.31Å; F148-A150 VanDerWaalsContact C-N 3.3Å; F148-A150 PolarHBondContact O-N 2.77Å; F148-G163 CarbonylContact O-C 3.5Å; F148-G163 VanDerWaalsContact O-CA 3.32Å; F148-G163 WeakPolarHBondContact O-CA 3.18Å; F148-I164 HydrophobicContact CB-CB 4.19Å; F148-I164 PolarHBondContact N-O 2.71Å; F148-I164 PolarHBondContact O-N 3.23Å; F148-Q166 HydrophobicContact CB-CG 4.26Å; F148-Q166 VanDerWaalsContact CD2-NE2 3.27Å; F148-N189 HydrophobicContact CE2-CB 3.76Å; F148-N189 HydrophobicContact CZ-CB 3.91Å
149	G	98.3	Very high	98.2	Very high	55 Å²	55	39.1 Å²	39.1	57%	0.567	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.5	-0.8	-179.5	0	0	0	0	0	115.6	H147	H147-G149 PolarHBondContact O-N 3.29Å
150	A	98.3	Very high	98.2	Very high	9 Å²	9	43.4 Å²	43.4	7%	0.074	25%	0.253	C	S	.	.			trans	-69.4	146.5	169.3	0	0	0	0	0	111.2	F143 H147 F148 Y152 K162	F143-A150 HydrophobicContact CE1-CB 4.32Å; F143-A150 HydrophobicContact CZ-CB 3.86Å; H147-A150 HydrophobicContact CB-CB 4.04Å; H147-A150 VanDerWaalsContact O-CB 3.25Å; H147-A150 WeakPolarHBondContact O-CB 3.4Å; H147-A150 PolarHBondContact O-N 3.25Å; F148-A150 VanDerWaalsContact C-N 3.3Å; F148-A150 PolarHBondContact O-N 2.77Å; A150-Y152 PolarHBondContact O-N 2.93Å; A150-K162 HydrophobicContact CB-CB 3.88Å
151	Q	98	Very high	98.1	Very high	171 Å²	171	47.6 Å²	47.6	80%	0.799	30%	0.296	S	S	*	.			trans	-72.7	115.7	172.2	-176.5	176.8	-2.1	0	0	109.9
152	Y	98.4	Very high	98.1	Very high	21 Å²	21	52.3 Å²	52.3	8%	0.082	32%	0.317	C	S	.	.			trans	-71.1	128.6	173.3	-163.3	-94.2	0	0	0	111.2	T102 D136 G138 P139 F143 A150 C155 Y159	T102-Y152 WeakPolarHBondContact CB-OH 3.47Å; T102-Y152 HydrophobicContact CG2-CE2 4.02Å; T102-Y152 PolarHBondContact OG1-OH 3.21Å; D136-Y152 WeakPolarHBondContact OD1-CE1 3.47Å; D136-Y152 PolarHBondContact OD1-OH 3.38Å; G138-Y152 VanDerWaalsContact C-CZ 3.48Å; P139-Y152 HydrophobicContact CB-CD2 3.58Å; P139-Y152 HydrophobicContact CB-CE2 4.26Å; P139-Y152 HydrophobicContact CB-CG 3.87Å; P139-Y152 HydrophobicContact CG-CD2 4.3Å; P139-Y152 HydrophobicContact CG-CG 4.13Å; F143-Y152 HydrophobicContact CD1-CD2 4.29Å; F143-Y152 AromaticContact CD2-CD2 3.65Å; F143-Y152 HydrophobicContact CD2-CD2 3.65Å; F143-Y152 AromaticContact CD2-CE2 3.86Å; F143-Y152 HydrophobicContact CD2-CE2 3.86Å; F143-Y152 HydrophobicContact CE1-CD2 4.15Å; F143-Y152 AromaticContact CE2-CD2 3.5Å; F143-Y152 HydrophobicContact CE2-CD2 3.5Å; F143-Y152 VanDerWaalsContact CE2-CD2 3.5Å; F143-Y152 HydrophobicContact CE2-CE2 4.08Å; F143-Y152 HydrophobicContact CG-CD2 4.04Å; F143-Y152 HydrophobicContact CG-CE2 4.33Å; F143-Y152 AromaticContact CZ-CD2 3.75Å; F143-Y152 HydrophobicContact CZ-CD2 3.75Å; F143-Y152 HydrophobicContact CZ-CG 4.49Å; A150-Y152 PolarHBondContact O-N 2.93Å; Y152-C155 WeakPolarHBondContact OH-CA 3.34Å; Y152-C155 WeakPolarHBondContact OH-CB 3.42Å; Y152-C155 PolarHBondContact OH-N 3.49Å; Y152-Y159 AromaticContact CD2-CZ 3.95Å; Y152-Y159 WeakPolarHBondContact CD2-OH 3.49Å; Y152-Y159 HydrophobicContact CE2-CE2 4.36Å
153	G	97.5	Very high	98.1	Very high	44 Å²	44	54.3 Å²	54.3	45%	0.454	34%	0.338	S	S	.	.			trans	-100.8	-90.4	165.1	0	0	0	0	0	109.8	D157 Y159	G153-D157 VanDerWaalsContact CA-OD2 3.23Å; G153-D157 WeakPolarHBondContact CA-OD2 3.46Å; G153-Y159 PolarHBondContact N-OH 3.27Å
154	T	97.7	Very high	98.1	Very high	55 Å²	55	58.1 Å²	58.1	34%	0.337	36%	0.358	S	S	.	.			trans	-121.9	169	176.7	78.1	0	0	0	0	112.5	D156 D157 Y159	T154-D156 PolarHBondContact O-N 3.01Å; T154-D156 PolarHBondContact OG1-N 3.46Å; T154-D156 VanDerWaalsContact OG1-N 3.15Å; T154-D157 PolarHBondContact N-OD2 2.92Å; T154-D157 PolarHBondContact O-N 3.03Å; T154-D157 PolarHBondContact OG1-N 3.45Å; T154-D157 PolarHBondContact OG1-OD1 2.82Å; T154-Y159 PolarHBondContact N-OH 3.44Å; T154-Y159 VanDerWaalsContact O-CE2 3.3Å; T154-Y159 WeakPolarHBondContact O-CE2 3.5Å; T154-Y159 PolarHBondContact O-OH 2.87Å
155	C	97.9	Very high	98.1	Very high	19 Å²	19	60.3 Å²	60.3	13%	0.128	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-12.4	171.8	63	0	0	0	0	114.5	T102 D103 D136 Y152	T102-C155 WeakPolarHBondContact OG1-CB 3.4Å; D103-C155 HydrophobicContact CB-CB 3.92Å; D136-C155 HydrophobicContact CB-CB 4.06Å; D136-C155 PolarHBondContact OD2-N 3.38Å; Y152-C155 WeakPolarHBondContact OH-CA 3.34Å; Y152-C155 WeakPolarHBondContact OH-CB 3.42Å; Y152-C155 PolarHBondContact OH-N 3.49Å
156	D	97.2	Very high	98.1	Very high	132 Å²	132	61.3 Å²	61.3	71%	0.706	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-12.7	180	-62.7	-44.6	0	0	0	113.1	T154	T154-D156 PolarHBondContact O-N 3.01Å; T154-D156 PolarHBondContact OG1-N 3.46Å; T154-D156 VanDerWaalsContact OG1-N 3.15Å
157	D	98.1	Very high	98.1	Very high	72 Å²	72	60 Å²	60	39%	0.385	37%	0.369	S	S	.	.	S	Bend	trans	-69.9	148.7	-177.3	-64.5	-7.8	0	0	0	111.8	G153 T154 Y159	G153-D157 VanDerWaalsContact CA-OD2 3.23Å; G153-D157 WeakPolarHBondContact CA-OD2 3.46Å; T154-D157 PolarHBondContact N-OD2 2.92Å; T154-D157 PolarHBondContact O-N 3.03Å; T154-D157 PolarHBondContact OG1-N 3.45Å; T154-D157 PolarHBondContact OG1-OD1 2.82Å; D157-Y159 HydrophobicContact CB-CD2 4.5Å; D157-Y159 HydrophobicContact CB-CE1 4.39Å; D157-Y159 HydrophobicContact CB-CE2 3.83Å; D157-Y159 WeakPolarHBondContact O-CD2 3.33Å; D157-Y159 WeakPolarHBondContact O-CE2 3.29Å; D157-Y159 PolarHBondContact O-N 2.72Å
158	D	97.8	Very high	98.1	Very high	111 Å²	111	61.6 Å²	61.6	59%	0.594	37%	0.374	S	S	*	.			trans	-81.2	117.9	171	-176.3	16.9	0	0	0	111	S160 K162	D158-S160 WeakPolarHBondContact OD1-CB 3.35Å; D158-S160 PolarHBondContact OD1-N 2.87Å; D158-S160 PolarHBondContact OD1-OG 3.08Å; D158-K162 PolarHBondContact O-NZ 2.94Å
159	Y	98.3	Very high	98.1	Very high	15 Å²	15	64.3 Å²	64.3	6%	0.059	39%	0.387	C	S	.	.			trans	-104.3	8	177.1	-60.5	-79.1	0	0	0	113.5	F143 H147 Y152 G153 T154 D157 G161 K162	F143-Y159 HydrophobicContact CD2-CD2 4.32Å; F143-Y159 HydrophobicContact CD2-CE2 4.38Å; F143-Y159 HydrophobicContact CD2-CG 4.44Å; F143-Y159 AromaticContact CE2-CD1 3.49Å; F143-Y159 HydrophobicContact CE2-CD1 3.49Å; F143-Y159 VanDerWaalsContact CE2-CD1 3.49Å; F143-Y159 AromaticContact CE2-CD2 3.82Å; F143-Y159 HydrophobicContact CE2-CD2 3.82Å; F143-Y159 AromaticContact CE2-CE1 3.53Å; F143-Y159 HydrophobicContact CE2-CE1 3.53Å; F143-Y159 AromaticContact CE2-CE2 3.86Å; F143-Y159 HydrophobicContact CE2-CE2 3.86Å; F143-Y159 AromaticContact CE2-CG 3.62Å; F143-Y159 HydrophobicContact CE2-CG 3.62Å; F143-Y159 AromaticContact CE2-CZ 3.71Å; F143-Y159 AromaticContact CZ-CD1 3.96Å; F143-Y159 HydrophobicContact CZ-CD1 3.96Å; F143-Y159 AromaticContact CZ-CE1 3.92Å; F143-Y159 HydrophobicContact CZ-CE1 3.92Å; F143-Y159 HydrophobicContact CZ-CG 4.49Å; H147-Y159 PolarHBondContact CE1-O 2.89Å; H147-Y159 VanDerWaalsContact CE1-O 3.29Å; H147-Y159 PolarHBondContact ND1-O 3.5Å; H147-Y159 VanDerWaalsContact ND1-O 3.16Å; Y152-Y159 AromaticContact CD2-CZ 3.95Å; Y152-Y159 WeakPolarHBondContact CD2-OH 3.49Å; Y152-Y159 HydrophobicContact CE2-CE2 4.36Å; G153-Y159 PolarHBondContact N-OH 3.27Å; T154-Y159 PolarHBondContact N-OH 3.44Å; T154-Y159 VanDerWaalsContact O-CE2 3.3Å; T154-Y159 WeakPolarHBondContact O-CE2 3.5Å; T154-Y159 PolarHBondContact O-OH 2.87Å; D157-Y159 HydrophobicContact CB-CD2 4.5Å; D157-Y159 HydrophobicContact CB-CE1 4.39Å; D157-Y159 HydrophobicContact CB-CE2 3.83Å; D157-Y159 WeakPolarHBondContact O-CD2 3.33Å; D157-Y159 WeakPolarHBondContact O-CE2 3.29Å; D157-Y159 PolarHBondContact O-N 2.72Å; Y159-G161 PolarHBondContact O-N 3.08Å; Y159-K162 HydrophobicContact CD1-CD 4.28Å; Y159-K162 WeakPolarHBondContact O-CB 3.36Å; Y159-K162 PolarHBondContact O-N 2.91Å
160	S	96.6	Very high	98.1	Very high	89 Å²	89	61.8 Å²	61.8	62%	0.622	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	125.8	178.3	-60	0	0	0	0	111.4	D158 K162	D158-S160 WeakPolarHBondContact OD1-CB 3.35Å; D158-S160 PolarHBondContact OD1-N 2.87Å; D158-S160 PolarHBondContact OD1-OG 3.08Å; S160-K162 PolarHBondContact O-N 2.82Å
161	G	97.1	Very high	98.1	Very high	89 Å²	89	61.4 Å²	61.4	92%	0.918	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	4.4	-178.7	0	0	0	0	0	115.8	Y159	Y159-G161 PolarHBondContact O-N 3.08Å
162	K	98.2	Very high	98.1	Very high	105 Å²	105	56.3 Å²	56.3	46%	0.457	34%	0.336	S	S	.	.			trans	-96.7	142.2	176.2	-57.6	-178.2	-172.6	156	0	111	H147 A150 D158 Y159 S160	H147-K162 WeakPolarHBondContact CA-O 3.36Å; H147-K162 PolarHBondContact ND1-O 2.86Å; A150-K162 HydrophobicContact CB-CB 3.88Å; D158-K162 PolarHBondContact O-NZ 2.94Å; Y159-K162 HydrophobicContact CD1-CD 4.28Å; Y159-K162 WeakPolarHBondContact O-CB 3.36Å; Y159-K162 PolarHBondContact O-N 2.91Å; S160-K162 PolarHBondContact O-N 2.82Å
163	G	98.2	Very high	98.2	Very high	43 Å²	43	57.2 Å²	57.2	44%	0.443	34%	0.344	S	S	.	.	S	Bend	trans	73.6	-164	178.4	0	0	0	0	0	113.1	F148	F148-G163 CarbonylContact O-C 3.5Å; F148-G163 VanDerWaalsContact O-CA 3.32Å; F148-G163 WeakPolarHBondContact O-CA 3.18Å
164	I	98.6	Very high	98.2	Very high	81 Å²	81	55.3 Å²	55.3	42%	0.415	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-103.5	121.3	177.1	-57.5	170.7	0	0	0	109.1	R146 F148 Q166	R146-I164 CarbonylContact C-O 3.57Å; F148-I164 HydrophobicContact CB-CB 4.19Å; F148-I164 PolarHBondContact N-O 2.71Å; F148-I164 PolarHBondContact O-N 3.23Å; I164-Q166 HydrophobicContact CG2-CG 4.26Å; I164-Q166 PolarHBondContact O-N 3.43Å; I164-Q166 VanDerWaalsContact O-N 3.13Å
165	D	98.7	Very high	98.2	Very high	46 Å²	46	57.4 Å²	57.4	25%	0.246	33%	0.325	C	S	.	.			trans	-82	84.8	172.6	-168.8	-15.9	0	0	0	110.3	R146 L167 R168 Q169	R146-D165 IonicContact CZ-OD1 3.38Å; R146-D165 IonicContact CZ-OD2 2.73Å; R146-D165 VanDerWaalsContact NE-CG 3.34Å; R146-D165 IonicContact NE-OD1 3.36Å; R146-D165 PolarHBondContact NE-OD1 3.2Å; R146-D165 IonicContact NE-OD2 2.74Å; R146-D165 PolarHBondContact NE-OD2 3.25Å; R146-D165 IonicContact NH2-OD1 2.99Å; R146-D165 IonicContact NH2-OD2 3.3Å; R146-D165 PolarHBondContact NH2-OD2 2.95Å; R146-D165 VanDerWaalsContact O-CA 3.31Å; R146-D165 WeakPolarHBondContact O-CA 3.45Å; D165-L167 VanDerWaalsContact C-N 3.32Å; D165-L167 PolarHBondContact O-N 2.87Å; D165-L167 PolarHBondContact OD1-N 2.95Å; D165-R168 HydrophobicContact CB-CB 4.05Å; D165-R168 PolarHBondContact O-N 3.34Å; D165-R168 PolarHBondContact OD1-N 3.2Å; D165-R168 WeakPolarHBondContact OD2-CB 3.47Å; D165-Q169 WeakPolarHBondContact O-CG 3.37Å; D165-Q169 PolarHBondContact O-N 3.21Å
166	Q	98.8	Very high	98.2	Very high	22 Å²	22	62.8 Å²	62.8	10%	0.103	35%	0.352	C	S	.	.	H	α-helix	trans	-63.2	-38	-178.5	-65	-177	87	0	0	111.9	Q144 W145 F148 I164 Q169 V170 M185 S186	Q144-Q166 PolarHBondContact O-NE2 2.8Å; W145-Q166 WeakPolarHBondContact O-CB 3.39Å; W145-Q166 PolarHBondContact O-N 3Å; F148-Q166 HydrophobicContact CB-CG 4.26Å; F148-Q166 VanDerWaalsContact CD2-NE2 3.27Å; I164-Q166 HydrophobicContact CG2-CG 4.26Å; I164-Q166 PolarHBondContact O-N 3.43Å; I164-Q166 VanDerWaalsContact O-N 3.13Å; Q166-Q169 PolarHBondContact O-N 3.17Å; Q166-V170 WeakPolarHBondContact O-CG2 3.33Å; Q166-V170 PolarHBondContact O-N 3.49Å; Q166-M185 HydrophobicContact CB-CG 4.11Å; Q166-S186 PolarHBondContact NE2-O 3.14Å
167	L	98.7	Very high	98.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64.3	-44	180	-178.4	58.4	0	0	0	111.2	V98 W145 D165 V170 I171 M185 I245 I296	V98-L167 HydrophobicContact CB-CD2 4.35Å; V98-L167 HydrophobicContact CG1-CD2 4.02Å; V98-L167 HydrophobicContact CG2-CD2 4.15Å; W145-L167 PolarHBondContact O-N 2.86Å; W145-L167 VanDerWaalsContact O-N 3.16Å; D165-L167 VanDerWaalsContact C-N 3.32Å; D165-L167 PolarHBondContact O-N 2.87Å; D165-L167 PolarHBondContact OD1-N 2.95Å; L167-V170 PolarHBondContact O-N 3.32Å; L167-I171 HydrophobicContact CD1-CD1 4.34Å; L167-I171 HydrophobicContact CG-CD1 4.24Å; L167-I171 WeakPolarHBondContact O-CG1 3.37Å; L167-I171 PolarHBondContact O-N 3.29Å; L167-I171 VanDerWaalsContact O-N 3.1Å; L167-M185 HydrophobicContact CB-SD 4.38Å; L167-M185 HydrophobicContact CD1-SD 4.27Å; L167-I245 HydrophobicContact CD1-CD1 4.23Å; L167-I296 HydrophobicContact CD1-CD1 4.08Å; L167-I296 HydrophobicContact CD2-CD1 4.23Å; L167-I296 HydrophobicContact CD2-CG2 3.99Å; L167-I296 HydrophobicContact CG-CD1 4.46Å; L167-I296 HydrophobicContact CG-CG2 4.39Å
168	R	98.4	Very high	98.3	Very high	62 Å²	62	57.8 Å²	57.8	23%	0.234	33%	0.327	C	S	.	.	H	α-helix	trans	-62.9	-45.4	174.6	-174.7	59.8	60.3	170.7	-1.2	111.2	D165 V170 I171 D172 D295 E297	D165-R168 HydrophobicContact CB-CB 4.05Å; D165-R168 PolarHBondContact O-N 3.34Å; D165-R168 PolarHBondContact OD1-N 3.2Å; D165-R168 WeakPolarHBondContact OD2-CB 3.47Å; R168-V170 VanDerWaalsContact C-N 3.32Å; R168-V170 PolarHBondContact O-N 3.33Å; R168-I171 PolarHBondContact O-N 3.32Å; R168-D172 WeakPolarHBondContact O-CB 3.44Å; R168-D172 VanDerWaalsContact O-CG 3.3Å; R168-D172 PolarHBondContact O-N 3.08Å; R168-D295 IonicContact CZ-OD1 3.41Å; R168-D295 IonicContact NH1-OD1 3.67Å; R168-D295 PolarHBondContact NH1-OD1 2.89Å; R168-D295 IonicContact NH2-OD1 3.22Å; R168-D295 PolarHBondContact NH2-OD1 3.44Å; R168-E297 IonicContact CZ-OE1 3.5Å; R168-E297 VanDerWaalsContact NH2-CD 3.3Å; R168-E297 IonicContact NH2-OE1 2.64Å; R168-E297 PolarHBondContact NH2-OE1 2.78Å; R168-E297 IonicContact NH2-OE2 2.82Å; R168-E297 PolarHBondContact NH2-OE2 3.43Å
169	Q	98.6	Very high	98.3	Very high	109 Å²	109	56 Å²	56	51%	0.509	32%	0.323	S	S	.	.	H	α-helix	trans	-59.2	-40.1	176.5	-74.1	-178.4	-3.6	0	0	113	D165 Q166 T173	D165-Q169 WeakPolarHBondContact O-CG 3.37Å; D165-Q169 PolarHBondContact O-N 3.21Å; Q166-Q169 PolarHBondContact O-N 3.17Å; Q169-T173 VanDerWaalsContact O-CB 3.27Å; Q169-T173 WeakPolarHBondContact O-CB 3.3Å; Q169-T173 PolarHBondContact O-N 3.14Å; Q169-T173 PolarHBondContact O-OG1 3.11Å
170	V	98.8	Very high	98.3	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.018	33%	0.332	C	S	.	.	H	α-helix	trans	-59.4	-51.6	173.9	160.8	0	0	0	0	110.7	Q166 L167 R168 D172 T173 I174 I183 M185 F207 I245	Q166-V170 WeakPolarHBondContact O-CG2 3.33Å; Q166-V170 PolarHBondContact O-N 3.49Å; L167-V170 PolarHBondContact O-N 3.32Å; R168-V170 VanDerWaalsContact C-N 3.32Å; R168-V170 PolarHBondContact O-N 3.33Å; V170-D172 PolarHBondContact O-N 2.91Å; V170-T173 PolarHBondContact O-N 3.13Å; V170-I174 HydrophobicContact CG1-CD1 3.77Å; V170-I174 VanDerWaalsContact O-CG1 3.28Å; V170-I174 WeakPolarHBondContact O-CG1 2.99Å; V170-I174 PolarHBondContact O-N 3.49Å; V170-I183 HydrophobicContact CB-CG2 4.23Å; V170-I183 HydrophobicContact CG1-CG2 3.83Å; V170-I183 HydrophobicContact CG2-CG2 4.11Å; V170-M185 HydrophobicContact CG2-CB 4.26Å; V170-F207 HydrophobicContact CG1-CD2 3.62Å; V170-F207 HydrophobicContact CG1-CE2 3.77Å; V170-F207 HydrophobicContact CG1-CG 4.27Å; V170-F207 HydrophobicContact CG2-CD2 4.27Å; V170-F207 HydrophobicContact CG2-CE2 4.32Å; V170-I245 HydrophobicContact CG1-CD1 4.32Å
171	I	98.8	Very high	98.4	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-60.9	-45.3	-179.7	-69.1	166.2	0	0	0	111	L167 R168 I174 R175 I245 V248 T249 I296	L167-I171 HydrophobicContact CD1-CD1 4.34Å; L167-I171 HydrophobicContact CG-CD1 4.24Å; L167-I171 WeakPolarHBondContact O-CG1 3.37Å; L167-I171 PolarHBondContact O-N 3.29Å; L167-I171 VanDerWaalsContact O-N 3.1Å; R168-I171 PolarHBondContact O-N 3.32Å; I171-I174 PolarHBondContact O-N 3.3Å; I171-R175 WeakPolarHBondContact O-CG 3.36Å; I171-R175 PolarHBondContact O-N 3.48Å; I171-R175 VanDerWaalsContact O-N 3.09Å; I171-I245 HydrophobicContact CG1-CG2 4.31Å; I171-V248 HydrophobicContact CD1-CG2 4.35Å; I171-V248 HydrophobicContact CG2-CG2 4.4Å; I171-T249 HydrophobicContact CG2-CG2 4.04Å; I171-I296 HydrophobicContact CD1-CB 3.85Å; I171-I296 HydrophobicContact CD1-CD1 3.93Å; I171-I296 HydrophobicContact CD1-CG2 3.6Å
172	D	98.6	Very high	98.4	Very high	63 Å²	63	69.2 Å²	69.2	34%	0.337	34%	0.335	S	S	.	.	H	α-helix	trans	-67.2	-37.8	-179.6	-68.7	-19.2	0	0	0	111.7	R168 V170 R175 N176	R168-D172 WeakPolarHBondContact O-CB 3.44Å; R168-D172 VanDerWaalsContact O-CG 3.3Å; R168-D172 PolarHBondContact O-N 3.08Å; V170-D172 PolarHBondContact O-N 2.91Å; D172-R175 PolarHBondContact O-N 3.35Å; D172-N176 WeakPolarHBondContact O-CB 3.5Å; D172-N176 PolarHBondContact O-N 3.37Å; D172-N176 PolarHBondContact O-ND2 3.43Å
173	T	98.7	Very high	98.5	Very high	40 Å²	40	64.3 Å²	64.3	25%	0.245	31%	0.314	C	S	.	.	H	α-helix	trans	-67.8	-41.8	176.3	-54	0	0	0	0	110.9	Q169 V170 R175 N176 N177 D180 I183	Q169-T173 VanDerWaalsContact O-CB 3.27Å; Q169-T173 WeakPolarHBondContact O-CB 3.3Å; Q169-T173 PolarHBondContact O-N 3.14Å; Q169-T173 PolarHBondContact O-OG1 3.11Å; V170-T173 PolarHBondContact O-N 3.13Å; T173-R175 VanDerWaalsContact C-N 3.3Å; T173-R175 PolarHBondContact O-N 3.41Å; T173-N176 PolarHBondContact O-N 3.48Å; T173-N177 HydrophobicContact CG2-CB 4.34Å; T173-N177 CarbonylContact O-C 3.48Å; T173-N177 VanDerWaalsContact O-CA 3.31Å; T173-N177 WeakPolarHBondContact O-CA 3.26Å; T173-N177 PolarHBondContact O-N 3.29Å; T173-D180 HydrophobicContact CG2-CB 3.68Å; T173-I183 HydrophobicContact CG2-CD1 4.35Å; T173-I183 HydrophobicContact CG2-CG1 3.8Å
174	I	98.7	Very high	98.5	Very high	5 Å²	5	65.5 Å²	65.5	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-59.5	-42.3	175.8	-71.6	165.1	0	0	0	111.2	V170 I171 P178 I183 F207 V209 L216 I245 T249 L251	V170-I174 HydrophobicContact CG1-CD1 3.77Å; V170-I174 VanDerWaalsContact O-CG1 3.28Å; V170-I174 WeakPolarHBondContact O-CG1 2.99Å; V170-I174 PolarHBondContact O-N 3.49Å; I171-I174 PolarHBondContact O-N 3.3Å; I174-P178 WeakPolarHBondContact O-CB 3.31Å; I174-I183 HydrophobicContact CD1-CG2 4.17Å; I174-I183 HydrophobicContact CG1-CD1 4.01Å; I174-I183 HydrophobicContact CG1-CG2 3.89Å; I174-F207 HydrophobicContact CD1-CB 4.41Å; I174-V209 HydrophobicContact CB-CG2 4.45Å; I174-V209 HydrophobicContact CG1-CG2 4.17Å; I174-V209 HydrophobicContact CG2-CG2 3.93Å; I174-L216 HydrophobicContact CD1-CD1 3.73Å; I174-L216 HydrophobicContact CD1-CD2 4.26Å; I174-L216 HydrophobicContact CG1-CD1 4.26Å; I174-I245 HydrophobicContact CD1-CG2 3.49Å; I174-I245 VanDerWaalsContact CD1-CG2 3.49Å; I174-T249 HydrophobicContact CB-CG2 4.17Å; I174-T249 HydrophobicContact CG2-CG2 3.71Å; I174-L251 HydrophobicContact CG2-CD1 3.61Å
175	R	98	Very high	98.5	Very high	98 Å²	98	61.8 Å²	61.8	37%	0.37	29%	0.29	S	S	.	.	H	α-helix	trans	-69.2	-42.5	-180	-72.2	172.9	175.5	163	-5	112.7	I171 D172 T173 V248 T249 Q294	I171-R175 WeakPolarHBondContact O-CG 3.36Å; I171-R175 PolarHBondContact O-N 3.48Å; I171-R175 VanDerWaalsContact O-N 3.09Å; D172-R175 PolarHBondContact O-N 3.35Å; T173-R175 VanDerWaalsContact C-N 3.3Å; T173-R175 PolarHBondContact O-N 3.41Å; R175-V248 PolarHBondContact NE-O 2.82Å; R175-V248 PolarHBondContact NH2-O 3.15Å; R175-T249 HydrophobicContact CG-CG2 3.9Å; R175-Q294 PolarHBondContact NH2-O 3.23Å
176	N	98.4	Very high	98.5	Very high	132 Å²	132	60.7 Å²	60.7	71%	0.706	29%	0.286	S	S	*	.	H	α-helix	trans	-103.8	-22.9	-166.8	-60.7	-55	0	0	0	114.3	D172 T173	D172-N176 WeakPolarHBondContact O-CB 3.5Å; D172-N176 PolarHBondContact O-N 3.37Å; D172-N176 PolarHBondContact O-ND2 3.43Å; T173-N176 PolarHBondContact O-N 3.48Å
177	N	98.3	Very high	98.5	Very high	70 Å²	70	59.7 Å²	59.7	37%	0.374	28%	0.282	S	S	.	.			trans	-145.8	63.1	-179.8	-167.7	20.5	0	0	0	111	T173 S179 D180	T173-N177 HydrophobicContact CG2-CB 4.34Å; T173-N177 CarbonylContact O-C 3.48Å; T173-N177 VanDerWaalsContact O-CA 3.31Å; T173-N177 WeakPolarHBondContact O-CA 3.26Å; T173-N177 PolarHBondContact O-N 3.29Å; N177-S179 PolarHBondContact O-N 3.23Å; N177-S179 VanDerWaalsContact O-N 3.11Å; N177-D180 HydrophobicContact CB-CB 4.38Å; N177-D180 WeakPolarHBondContact ND2-CB 3.18Å; N177-D180 PolarHBondContact ND2-OD2 2.93Å; N177-D180 VanDerWaalsContact O-CB 3.24Å; N177-D180 WeakPolarHBondContact O-CB 3.39Å; N177-D180 PolarHBondContact O-N 3.16Å
178	P	98	Very high	98.5	Very high	30 Å²	30	64.7 Å²	64.7	20%	0.195	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.2	-171.9	22.7	-34.5	0	0	0	114.3	I174 D180 V209 E211	I174-P178 WeakPolarHBondContact O-CB 3.31Å; P178-D180 VanDerWaalsContact C-N 3.26Å; P178-D180 PolarHBondContact O-N 2.79Å; P178-V209 HydrophobicContact CB-CB 3.81Å; P178-V209 HydrophobicContact CB-CG1 3.72Å; P178-V209 HydrophobicContact CB-CG2 3.95Å; P178-V209 WeakPolarHBondContact O-CB 3.42Å; P178-E211 HydrophobicContact CB-CG 4.22Å; P178-E211 HydrophobicContact CG-CG 4.16Å
179	S	97.7	Very high	98.5	Very high	73 Å²	73	62.1 Å²	62.1	51%	0.51	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	1.1	177.4	62.2	0	0	0	0	113.8	N177 R181	N177-S179 PolarHBondContact O-N 3.23Å; N177-S179 VanDerWaalsContact O-N 3.11Å; S179-R181 PolarHBondContact O-N 3.29Å
180	D	98.3	Very high	98.4	Very high	46 Å²	46	61.2 Å²	61.2	25%	0.246	30%	0.295	C	S	.	.			trans	-59.5	137.9	175.3	-156.1	-57.6	0	0	0	110.6	T173 N177 P178 R182 I183	T173-D180 HydrophobicContact CG2-CB 3.68Å; N177-D180 HydrophobicContact CB-CB 4.38Å; N177-D180 WeakPolarHBondContact ND2-CB 3.18Å; N177-D180 PolarHBondContact ND2-OD2 2.93Å; N177-D180 VanDerWaalsContact O-CB 3.24Å; N177-D180 WeakPolarHBondContact O-CB 3.39Å; N177-D180 PolarHBondContact O-N 3.16Å; P178-D180 VanDerWaalsContact C-N 3.26Å; P178-D180 PolarHBondContact O-N 2.79Å; D180-R182 WeakPolarHBondContact OD1-CA 3.41Å; D180-R182 WeakPolarHBondContact OD1-CB 3.3Å; D180-R182 WeakPolarHBondContact OD1-CG 3.28Å; D180-R182 PolarHBondContact OD1-N 3.27Å; D180-I183 HydrophobicContact CB-CD1 4.45Å; D180-I183 HydrophobicContact CB-CG1 4.06Å
181	R	98.2	Very high	98.4	Very high	218 Å²	218	67.8 Å²	67.8	82%	0.823	33%	0.33	S	S	*	.	S	Bend	trans	-96.9	8.4	-178.5	-63	-179.7	-70	174.6	-1.9	112.6	S179 Q206	S179-R181 PolarHBondContact O-N 3.29Å; R181-Q206 PolarHBondContact O-NE2 2.75Å
182	R	98.5	Very high	98.4	Very high	207 Å²	207	68 Å²	68	78%	0.781	33%	0.33	S	S	*	.			trans	-120.7	18.4	-173.9	-53.1	171.5	179.5	167	0.2	112.6	D180 I184	D180-R182 WeakPolarHBondContact OD1-CA 3.41Å; D180-R182 WeakPolarHBondContact OD1-CB 3.3Å; D180-R182 WeakPolarHBondContact OD1-CG 3.28Å; D180-R182 PolarHBondContact OD1-N 3.27Å; R182-I184 VanDerWaalsContact C-N 3.28Å; R182-I184 PolarHBondContact O-N 3.24Å
183	I	98.8	Very high	98.3	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.01	32%	0.323	C	S	.	.			trans	-72.2	85.1	177.4	-45.5	174.2	0	0	0	108.6	V170 T173 I174 D180 Q206 F207 V209	V170-I183 HydrophobicContact CB-CG2 4.23Å; V170-I183 HydrophobicContact CG1-CG2 3.83Å; V170-I183 HydrophobicContact CG2-CG2 4.11Å; T173-I183 HydrophobicContact CG2-CD1 4.35Å; T173-I183 HydrophobicContact CG2-CG1 3.8Å; I174-I183 HydrophobicContact CD1-CG2 4.17Å; I174-I183 HydrophobicContact CG1-CD1 4.01Å; I174-I183 HydrophobicContact CG1-CG2 3.89Å; D180-I183 HydrophobicContact CB-CD1 4.45Å; D180-I183 HydrophobicContact CB-CG1 4.06Å; I183-Q206 CarbonylContact O-C 3.59Å; I183-Q206 WeakPolarHBondContact O-CA 3.47Å; I183-F207 HydrophobicContact CB-CB 4.17Å; I183-F207 HydrophobicContact CG2-CB 3.76Å; I183-F207 HydrophobicContact CG2-CD2 4.18Å; I183-F207 HydrophobicContact CG2-CG 4.38Å; I183-F207 PolarHBondContact O-N 3.35Å; I183-V209 HydrophobicContact CD1-CG2 4.4Å
184	I	98.7	Very high	98.3	Very high	68 Å²	68	69.2 Å²	69.2	35%	0.349	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	144.1	-169.8	-66.3	173.6	0	0	0	109.9	R182 L204 A205 Q206	R182-I184 VanDerWaalsContact C-N 3.28Å; R182-I184 PolarHBondContact O-N 3.24Å; I184-L204 HydrophobicContact CG2-CD1 3.85Å; I184-L204 HydrophobicContact CG2-CD2 4.08Å; I184-L204 HydrophobicContact CG2-CG 3.79Å; I184-A205 CarbonylContact C-O 3.55Å; I184-A205 WeakPolarHBondContact CA-O 3.43Å; I184-Q206 HydrophobicContact CG1-CB 4.15Å; I184-Q206 HydrophobicContact CG1-CG 3.97Å
185	M	98.5	Very high	98.2	Very high	2 Å²	2	72.6 Å²	72.6	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.4	168.9	-176.5	175.7	66.8	0	0	109.4	W145 Q166 L167 V170 L204 A205 L241	W145-M185 HydrophobicContact CB-SD 3.96Å; W145-M185 HydrophobicContact CD2-CE 3.55Å; W145-M185 HydrophobicContact CD2-CG 4.49Å; W145-M185 HydrophobicContact CD2-SD 3.47Å; W145-M185 HydrophobicContact CE3-CE 3.85Å; W145-M185 HydrophobicContact CE3-SD 3.88Å; W145-M185 HydrophobicContact CG-CE 4.14Å; W145-M185 HydrophobicContact CG-CG 4.09Å; W145-M185 HydrophobicContact CG-SD 3.49Å; W145-M185 HydrophobicContact CH2-CE 3.86Å; W145-M185 HydrophobicContact CZ2-CE 3.57Å; W145-M185 HydrophobicContact CZ3-CE 3.98Å; Q166-M185 HydrophobicContact CB-CG 4.11Å; L167-M185 HydrophobicContact CB-SD 4.38Å; L167-M185 HydrophobicContact CD1-SD 4.27Å; V170-M185 HydrophobicContact CG2-CB 4.26Å; M185-L204 WeakPolarHBondContact O-CA 3.37Å; M185-A205 PolarHBondContact N-O 3.3Å; M185-A205 PolarHBondContact O-N 2.95Å; M185-L241 HydrophobicContact CE-CD2 3.84Å
186	S	98.6	Very high	98.2	Very high	23 Å²	23	68 Å²	68	16%	0.161	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.9	-178.8	-176.4	0	0	0	0	111.9	Q166 W188 C203	Q166-S186 PolarHBondContact NE2-O 3.14Å; S186-W188 PolarHBondContact OG-N 2.67Å; S186-C203 CarbonylContact C-O 3.52Å; S186-C203 WeakPolarHBondContact CA-O 3.27Å
187	A	98.6	Very high	98.1	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.008	30%	0.304	C	S	.	.			trans	-95.2	-12.7	166.4	0	0	0	0	0	112.2	Y141 Q144 N189 P200 C203	Y141-A187 HydrophobicContact CD1-CB 3.98Å; Q144-A187 HydrophobicContact CB-CB 4.44Å; A187-N189 PolarHBondContact O-N 2.75Å; A187-N189 VanDerWaalsContact O-N 3.16Å; A187-P200 HydrophobicContact CB-CB 3.74Å; A187-P200 HydrophobicContact CB-CG 3.93Å; A187-P200 VanDerWaalsContact O-CG 3.31Å; A187-P200 WeakPolarHBondContact O-CG 3.48Å; A187-C203 PolarHBondContact N-O 3.2Å
188	W	98.6	Very high	97.8	Very high	106 Å²	106	59.7 Å²	59.7	40%	0.402	29%	0.293	S	S	.	.			trans	-82.3	97.3	-174	-166.3	-97.8	0	0	0	111.7	S186 I193 P199 C203 R223	S186-W188 PolarHBondContact OG-N 2.67Å; W188-I193 HydrophobicContact CD2-CD1 3.66Å; W188-I193 HydrophobicContact CE3-CD1 3.88Å; W188-I193 HydrophobicContact CG-CD1 4.34Å; W188-I193 HydrophobicContact CH2-CD1 3.67Å; W188-I193 HydrophobicContact CZ2-CD1 3.43Å; W188-I193 VanDerWaalsContact CZ2-CD1 3.43Å; W188-I193 HydrophobicContact CZ3-CD1 3.87Å; W188-P199 HydrophobicContact CZ3-CB 4.3Å; W188-C203 HydrophobicContact CB-CB 4.26Å; W188-R223 VanDerWaalsContact CZ3-CD 3.47Å
189	N	98.4	Very high	97.7	Very high	7 Å²	7	60 Å²	60	4%	0.037	30%	0.295	C	S	.	.			trans	-116.8	102.9	177.8	-178.4	-10.2	0	0	0	110.9	Q144 F148 A187 L191 D192 I193	Q144-N189 VanDerWaalsContact OE1-CB 3.27Å; Q144-N189 PolarHBondContact OE1-ND2 3.03Å; F148-N189 HydrophobicContact CE2-CB 3.76Å; F148-N189 HydrophobicContact CZ-CB 3.91Å; A187-N189 PolarHBondContact O-N 2.75Å; A187-N189 VanDerWaalsContact O-N 3.16Å; N189-L191 PolarHBondContact O-N 3.39Å; N189-L191 VanDerWaalsContact O-N 3.11Å; N189-L191 WeakPolarHBondContact OD1-CB 3.37Å; N189-L191 PolarHBondContact OD1-N 3.09Å; N189-L191 VanDerWaalsContact OD1-N 3.1Å; N189-D192 HydrophobicContact CB-CB 4.21Å; N189-D192 PolarHBondContact ND2-OD2 2.85Å; N189-D192 PolarHBondContact O-N 3.22Å; N189-I193 WeakPolarHBondContact O-CG1 3.36Å; N189-I193 PolarHBondContact O-N 2.89Å
190	P	98.2	Very high	97.7	Very high	91 Å²	91	56.5 Å²	56.5	59%	0.591	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-29.7	-179	-29	36.5	0	0	0	115.5	D192	P190-D192 VanDerWaalsContact C-N 3.34Å
191	L	97.8	Very high	97.7	Very high	141 Å²	141	55.6 Å²	55.6	74%	0.738	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-27.2	178.9	-64.2	177.1	0	0	0	112.7	N189 K195	N189-L191 PolarHBondContact O-N 3.39Å; N189-L191 VanDerWaalsContact O-N 3.11Å; N189-L191 WeakPolarHBondContact OD1-CB 3.37Å; N189-L191 PolarHBondContact OD1-N 3.09Å; N189-L191 VanDerWaalsContact OD1-N 3.1Å; L191-K195 WeakPolarHBondContact O-CE 3.43Å
192	D	98	Very high	97.7	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-17.3	-174.9	-75.7	-17	0	0	0	113.4	P139 Q144 N189 P190 P194 K195 M196	P139-D192 HydrophobicContact CB-CB 4.38Å; P139-D192 HydrophobicContact CG-CB 3.8Å; Q144-D192 PolarHBondContact NE2-OD2 3.37Å; N189-D192 HydrophobicContact CB-CB 4.21Å; N189-D192 PolarHBondContact ND2-OD2 2.85Å; N189-D192 PolarHBondContact O-N 3.22Å; P190-D192 VanDerWaalsContact C-N 3.34Å; D192-P194 VanDerWaalsContact C-CD 3.48Å; D192-P194 VanDerWaalsContact C-N 3.31Å; D192-K195 WeakPolarHBondContact O-CA 3.33Å; D192-K195 VanDerWaalsContact O-CB 3.29Å; D192-K195 WeakPolarHBondContact O-CB 3.33Å; D192-K195 PolarHBondContact O-N 2.83Å; D192-K195 IonicContact OD1-NZ 3.7Å; D192-K195 PolarHBondContact OD1-NZ 2.75Å; D192-M196 HydrophobicContact CB-CE 3.92Å; D192-M196 PolarHBondContact O-N 3.19Å
193	I	97.8	Very high	97.6	Very high	35 Å²	35	36.1 Å²	36.1	18%	0.179	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-48.9	-46.4	175.9	-78.2	167.5	0	0	0	112.5	W188 N189 K195 M196 P199	W188-I193 HydrophobicContact CD2-CD1 3.66Å; W188-I193 HydrophobicContact CE3-CD1 3.88Å; W188-I193 HydrophobicContact CG-CD1 4.34Å; W188-I193 HydrophobicContact CH2-CD1 3.67Å; W188-I193 HydrophobicContact CZ2-CD1 3.43Å; W188-I193 VanDerWaalsContact CZ2-CD1 3.43Å; W188-I193 HydrophobicContact CZ3-CD1 3.87Å; N189-I193 WeakPolarHBondContact O-CG1 3.36Å; N189-I193 PolarHBondContact O-N 2.89Å; I193-K195 PolarHBondContact O-N 3.09Å; I193-M196 HydrophobicContact CG1-SD 4.41Å; I193-M196 PolarHBondContact O-N 3.38Å; I193-M196 VanDerWaalsContact O-N 3.16Å; I193-P199 HydrophobicContact CG2-CB 4.27Å; I193-P199 HydrophobicContact CG2-CG 4.13Å
194	P	97.2	Very high	97.6	Very high	95 Å²	95	39 Å²	39	62%	0.617	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-64	-11.6	177	-22.9	35.1	0	0	0	114.7	F129 D192	F129-P194 WeakPolarHBondContact CE1-O 3.35Å; F129-P194 WeakPolarHBondContact CZ-O 3.49Å; D192-P194 VanDerWaalsContact C-CD 3.48Å; D192-P194 VanDerWaalsContact C-N 3.31Å
195	K	97.5	Very high	97.6	Very high	75 Å²	75	35.7 Å²	35.7	33%	0.326	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-101.4	-10.2	-179.8	-49.9	173.2	-165.3	158.6	0	112.3	R132 P139 L191 D192 I193	R132-K195 PolarHBondContact NH1-O 3.31Å; R132-K195 PolarHBondContact NH2-O 3.45Å; P139-K195 HydrophobicContact CG-CB 3.93Å; L191-K195 WeakPolarHBondContact O-CE 3.43Å; D192-K195 WeakPolarHBondContact O-CA 3.33Å; D192-K195 VanDerWaalsContact O-CB 3.29Å; D192-K195 WeakPolarHBondContact O-CB 3.33Å; D192-K195 PolarHBondContact O-N 2.83Å; D192-K195 IonicContact OD1-NZ 3.7Å; D192-K195 PolarHBondContact OD1-NZ 2.75Å; I193-K195 PolarHBondContact O-N 3.09Å
196	M	98	Very high	97.7	Very high	2 Å²	2	39 Å²	39	1%	0.01	21%	0.21	C	C	.	.	S	Bend	trans	-85.9	142.2	-177.6	-65.7	168.3	-173.7	0	0	110.9	F129 P139 V140 Q144 D192 I193 L198 P200	F129-M196 WeakPolarHBondContact CE2-O 3.28Å; P139-M196 HydrophobicContact CG-CG 4.17Å; P139-M196 WeakPolarHBondContact O-CE 3.25Å; V140-M196 HydrophobicContact CG1-CB 4.1Å; V140-M196 HydrophobicContact CG1-CG 4.17Å; Q144-M196 HydrophobicContact CG-CE 3.76Å; D192-M196 HydrophobicContact CB-CE 3.92Å; D192-M196 PolarHBondContact O-N 3.19Å; I193-M196 HydrophobicContact CG1-SD 4.41Å; I193-M196 PolarHBondContact O-N 3.38Å; I193-M196 VanDerWaalsContact O-N 3.16Å; M196-L198 PolarHBondContact O-N 3.37Å; M196-P200 HydrophobicContact CE-CG 4.25Å; M196-P200 VanDerWaalsContact SD-CD 3.56Å; M196-P200 HydrophobicContact SD-CG 3.85Å
197	A	95.3	Very high	97.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-59.1	-38.6	171.4	0	0	0	0	0	111.3	F123 L124 L137	F123-A197 WeakPolarHBondContact CE1-O 3.43Å; L124-A197 HydrophobicContact CD2-CB 4.3Å; L137-A197 HydrophobicContact CB-CB 4.34Å; L137-A197 HydrophobicContact CD2-CB 3.81Å; L137-A197 WeakPolarHBondContact O-CB 3.19Å; L137-A197 PolarHBondContact O-N 3.43Å
198	L	93.7	Very high	97.7	Very high	28 Å²	28	45.2 Å²	45.2	15%	0.147	23%	0.23	C	C	.	.	S	Bend	trans	-140.5	127.1	172.8	-171.2	68.3	0	0	0	109.7	W115 M196	W115-L198 HydrophobicContact CZ3-CB 4.34Å; W115-L198 HydrophobicContact CZ3-CD2 4.44Å; M196-L198 PolarHBondContact O-N 3.37Å
199	P	96	Very high	97.7	Very high	35 Å²	35	40.7 Å²	40.7	23%	0.227	21%	0.214	C	C	.	.			trans	-61	147.5	175.6	-24.5	34.3	0	0	0	111.9	W188 I193 C201 R223	W188-P199 HydrophobicContact CZ3-CB 4.3Å; I193-P199 HydrophobicContact CG2-CB 4.27Å; I193-P199 HydrophobicContact CG2-CG 4.13Å; P199-C201 PolarHBondContact O-N 3.14Å; P199-R223 PolarHBondContact O-NH2 3.17Å
200	P	97.6	Very high	97.7	Very high	1 Å²	1	41 Å²	41	1%	0.006	22%	0.217	C	C	.	.			trans	-61.5	127.9	-170.9	-23.1	35.1	0	0	0	112	Y141 A187 M196 C203 R223	Y141-P200 HydrophobicContact CD1-CB 3.98Å; Y141-P200 VanDerWaalsContact CE1-CA 3.46Å; Y141-P200 HydrophobicContact CE1-CB 3.47Å; Y141-P200 VanDerWaalsContact CE1-CB 3.47Å; Y141-P200 HydrophobicContact CE1-CG 4.44Å; A187-P200 HydrophobicContact CB-CB 3.74Å; A187-P200 HydrophobicContact CB-CG 3.93Å; A187-P200 VanDerWaalsContact O-CG 3.31Å; A187-P200 WeakPolarHBondContact O-CG 3.48Å; M196-P200 HydrophobicContact CE-CG 4.25Å; M196-P200 VanDerWaalsContact SD-CD 3.56Å; M196-P200 HydrophobicContact SD-CG 3.85Å; P200-C203 PolarHBondContact O-SG 3.3Å; P200-R223 WeakPolarHBondContact O-CD 3.07Å; P200-R223 PolarHBondContact O-NE 3.48Å
201	C	97.7	Very high	97.6	Very high	26 Å²	26	42.9 Å²	42.9	18%	0.176	22%	0.218	C	C	.	.	S	Bend	trans	-78.9	-52.2	174.1	-68.1	0	0	0	0	110.8	Y141 P199 C203 Q222 R223	Y141-C201 PolarHBondContact OH-N 3.01Å; P199-C201 PolarHBondContact O-N 3.14Å; C201-C203 PolarHBondContact O-N 2.91Å; C201-C203 PolarHBondContact O-SG 3.13Å; C201-Q222 CarbonylContact O-C 3.2Å; C201-Q222 VanDerWaalsContact O-CA 3.26Å; C201-Q222 WeakPolarHBondContact O-CA 3.21Å; C201-Q222 WeakPolarHBondContact O-CG 3.42Å; C201-R223 PolarHBondContact O-N 3.16Å
202	H	97.9	Very high	97.6	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.032	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	96.6	172.1	37.5	87.1	0	0	0	109.6	Y141 L220 N234 Y238	Y141-H202 AromaticContact CD1-CE1 3.21Å; Y141-H202 WeakPolarHBondContact CD1-CE1 3.49Å; Y141-H202 AromaticContact CD1-ND1 3.43Å; Y141-H202 WeakPolarHBondContact CD1-ND1 3.29Å; Y141-H202 AromaticContact CE1-CE1 3.07Å; Y141-H202 WeakPolarHBondContact CE1-CE1 3.3Å; Y141-H202 AromaticContact CE1-CG 3.96Å; Y141-H202 AromaticContact CE1-ND1 3.29Å; Y141-H202 VanDerWaalsContact CE1-ND1 3.29Å; Y141-H202 WeakPolarHBondContact CE1-ND1 3.43Å; Y141-H202 AromaticContact CE1-NE2 3.61Å; Y141-H202 AromaticContact CE2-CE1 3.99Å; Y141-H202 AromaticContact CG-CE1 3.73Å; Y141-H202 AromaticContact CZ-CE1 3.49Å; Y141-H202 VanDerWaalsContact CZ-CE1 3.49Å; Y141-H202 AromaticContact CZ-NE2 3.61Å; H202-L220 HydrophobicContact CB-CD1 3.63Å; H202-L220 HydrophobicContact CB-CD2 4.03Å; H202-L220 HydrophobicContact CB-CG 4.33Å; H202-N234 PolarHBondContact CD2-ND2 2.88Å; H202-Y238 HydrophobicContact CB-CE2 3.79Å; H202-Y238 AromaticContact CG-CE2 3.68Å; H202-Y238 AromaticContact ND1-CE2 3.7Å; H202-Y238 AromaticContact ND1-CZ 3.81Å; H202-Y238 PolarHBondContact ND1-OH 2.91Å
203	C	97.6	Very high	97.5	Very high	10 Å²	10	51.7 Å²	51.7	7%	0.068	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-41.2	-163.8	-62.6	0	0	0	0	113.6	S186 A187 W188 P200 C201 Y221 R223	S186-C203 CarbonylContact C-O 3.52Å; S186-C203 WeakPolarHBondContact CA-O 3.27Å; A187-C203 PolarHBondContact N-O 3.2Å; W188-C203 HydrophobicContact CB-CB 4.26Å; P200-C203 PolarHBondContact O-SG 3.3Å; C201-C203 PolarHBondContact O-N 2.91Å; C201-C203 PolarHBondContact O-SG 3.13Å; C203-Y221 HydrophobicContact CB-CD1 4.23Å; C203-Y221 PolarHBondContact N-O 3.47Å; C203-R223 VanDerWaalsContact SG-CG 3.55Å
204	L	98.6	Very high	97.6	Very high	61 Å²	61	51.2 Å²	51.2	32%	0.319	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	131.8	-169.8	-176.3	148.7	0	0	0	110.3	I184 M185 L220 Y221	I184-L204 HydrophobicContact CG2-CD1 3.85Å; I184-L204 HydrophobicContact CG2-CD2 4.08Å; I184-L204 HydrophobicContact CG2-CG 3.79Å; M185-L204 WeakPolarHBondContact O-CA 3.37Å; L204-L220 WeakPolarHBondContact O-CD1 3.17Å; L204-Y221 PolarHBondContact N-O 3.03Å; L204-Y221 PolarHBondContact O-N 3.02Å
205	A	98.8	Very high	97.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.3	170.8	0	0	0	0	0	110.1	I184 M185 F207 Q219 Y238	I184-A205 CarbonylContact C-O 3.55Å; I184-A205 WeakPolarHBondContact CA-O 3.43Å; M185-A205 PolarHBondContact N-O 3.3Å; M185-A205 PolarHBondContact O-N 2.95Å; A205-F207 HydrophobicContact CB-CE2 4.31Å; A205-F207 HydrophobicContact CB-CZ 4.42Å; A205-Q219 CarbonylContact C-O 3.36Å; A205-Q219 VanDerWaalsContact CA-O 3.3Å; A205-Q219 WeakPolarHBondContact CA-O 3.4Å; A205-Y238 HydrophobicContact CB-CD1 4.29Å; A205-Y238 HydrophobicContact CB-CE1 3.8Å
206	Q	98.9	Very high	97.7	Very high	72 Å²	72	44 Å²	44	34%	0.336	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136.3	173.1	-177.1	175.1	13.6	0	0	109.3	R181 I183 I184 C218 Q219	R181-Q206 PolarHBondContact O-NE2 2.75Å; I183-Q206 CarbonylContact O-C 3.59Å; I183-Q206 WeakPolarHBondContact O-CA 3.47Å; I184-Q206 HydrophobicContact CG1-CB 4.15Å; I184-Q206 HydrophobicContact CG1-CG 3.97Å; Q206-C218 CarbonylContact O-C 3.54Å; Q206-C218 WeakPolarHBondContact O-CA 3.44Å; Q206-Q219 PolarHBondContact N-O 3.32Å; Q206-Q219 PolarHBondContact O-N 2.79Å
207	F	98.9	Very high	97.7	Very high	3 Å²	3	44.5 Å²	44.5	1%	0.013	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	149.2	178.5	-60.8	-86	0	0	0	111.1	V170 I174 I183 A205 L216 S217 C218 L241 I245	V170-F207 HydrophobicContact CG1-CD2 3.62Å; V170-F207 HydrophobicContact CG1-CE2 3.77Å; V170-F207 HydrophobicContact CG1-CG 4.27Å; V170-F207 HydrophobicContact CG2-CD2 4.27Å; V170-F207 HydrophobicContact CG2-CE2 4.32Å; I174-F207 HydrophobicContact CD1-CB 4.41Å; I183-F207 HydrophobicContact CB-CB 4.17Å; I183-F207 HydrophobicContact CG2-CB 3.76Å; I183-F207 HydrophobicContact CG2-CD2 4.18Å; I183-F207 HydrophobicContact CG2-CG 4.38Å; I183-F207 PolarHBondContact O-N 3.35Å; A205-F207 HydrophobicContact CB-CE2 4.31Å; A205-F207 HydrophobicContact CB-CZ 4.42Å; F207-L216 HydrophobicContact CB-CD1 4.07Å; F207-L216 HydrophobicContact CD1-CD1 4.37Å; F207-L216 HydrophobicContact CD1-CD2 4.34Å; F207-L216 HydrophobicContact CD1-CG 4.43Å; F207-S217 WeakPolarHBondContact CA-O 3.29Å; F207-C218 HydrophobicContact CD1-CB 4Å; F207-C218 HydrophobicContact CE1-CB 3.96Å; F207-L241 HydrophobicContact CZ-CD2 4.31Å; F207-I245 HydrophobicContact CD1-CD1 4.43Å; F207-I245 HydrophobicContact CE1-CD1 3.62Å; F207-I245 HydrophobicContact CE2-CD1 4.27Å; F207-I245 HydrophobicContact CZ-CD1 3.53Å
208	Y	98.8	Very high	97.9	Very high	151 Å²	151	44.6 Å²	44.6	59%	0.592	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.1	124.7	179.6	175.7	-92.2	0	0	0	109.9	S217	Y208-S217 PolarHBondContact N-O 2.85Å; Y208-S217 PolarHBondContact O-N 3.1Å
209	V	98.8	Very high	98.2	Very high	10 Å²	10	47.2 Å²	47.2	6%	0.061	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.3	174.9	-173.8	0	0	0	0	109.6	I174 P178 I183 E211 E215 L216 L251	I174-V209 HydrophobicContact CB-CG2 4.45Å; I174-V209 HydrophobicContact CG1-CG2 4.17Å; I174-V209 HydrophobicContact CG2-CG2 3.93Å; P178-V209 HydrophobicContact CB-CB 3.81Å; P178-V209 HydrophobicContact CB-CG1 3.72Å; P178-V209 HydrophobicContact CB-CG2 3.95Å; P178-V209 WeakPolarHBondContact O-CB 3.42Å; I183-V209 HydrophobicContact CD1-CG2 4.4Å; V209-E211 HydrophobicContact CG1-CG 4.43Å; V209-E211 PolarHBondContact O-N 2.85Å; V209-E215 CarbonylContact C-O 3.58Å; V209-E215 WeakPolarHBondContact CA-O 3.23Å; V209-L216 HydrophobicContact CG2-CD1 3.99Å; V209-L251 HydrophobicContact CG1-CD1 3.83Å; V209-L251 HydrophobicContact CG1-CD2 4.22Å; V209-L251 HydrophobicContact CG2-CD1 4.06Å
210	S	98.4	Very high	98.3	Very high	15 Å²	15	45.5 Å²	45.5	11%	0.105	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	92.7	166.6	-172	0	0	0	0	109.2	K212 R213 G214 E215	S210-K212 PolarHBondContact O-N 3.44Å; S210-R213 CarbonylContact O-C 3.57Å; S210-R213 PolarHBondContact O-N 3.24Å; S210-G214 PolarHBondContact O-N 3.37Å; S210-E215 PolarHBondContact N-O 3.33Å; S210-E215 PolarHBondContact O-N 3.07Å
211	E	96.4	Very high	98.4	Very high	129 Å²	129	50.1 Å²	50.1	60%	0.603	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-40	-179.4	-66	-177.8	95.7	0	0	112	P178 V209 R213 G214	P178-E211 HydrophobicContact CB-CG 4.22Å; P178-E211 HydrophobicContact CG-CG 4.16Å; V209-E211 HydrophobicContact CG1-CG 4.43Å; V209-E211 PolarHBondContact O-N 2.85Å; E211-R213 VanDerWaalsContact C-N 3.28Å; E211-R213 PolarHBondContact O-N 2.76Å; E211-G214 PolarHBondContact O-N 3.46Å
212	K	97.1	Very high	98.4	Very high	204 Å²	204	49 Å²	49	89%	0.887	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-35.5	177.9	-176.6	178.2	178.4	-179.1	0	113.2	S210	S210-K212 PolarHBondContact O-N 3.44Å
213	R	97.3	Very high	98.4	Very high	126 Å²	126	52.1 Å²	52.1	48%	0.475	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-12	-178.1	-62.7	-168.7	-65.4	-148	-0.6	113.2	R74 S210 E211 E215	R74-R213 VanDerWaalsContact NH2-NH2 3.16Å; S210-R213 CarbonylContact O-C 3.57Å; S210-R213 PolarHBondContact O-N 3.24Å; E211-R213 VanDerWaalsContact C-N 3.28Å; E211-R213 PolarHBondContact O-N 2.76Å; R213-E215 VanDerWaalsContact C-N 3.33Å; R213-E215 HydrophobicContact CB-CB 4.24Å; R213-E215 HydrophobicContact CB-CG 3.72Å; R213-E215 IonicContact CZ-OE2 3.55Å; R213-E215 VanDerWaalsContact CZ-OE2 3.3Å; R213-E215 IonicContact NE-OE1 2.74Å; R213-E215 IonicContact NE-OE2 2.72Å; R213-E215 PolarHBondContact NE-OE2 3.48Å; R213-E215 IonicContact NH2-OE2 3.9Å; R213-E215 PolarHBondContact NH2-OE2 2.87Å
214	G	98.3	Very high	98.4	Very high	26 Å²	26	53.1 Å²	53.1	27%	0.268	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	40.2	-170.7	0	0	0	0	0	112	S210 E211 K252	S210-G214 PolarHBondContact O-N 3.37Å; E211-G214 PolarHBondContact O-N 3.46Å; G214-K252 PolarHBondContact O-N 2.96Å
215	E	98.8	Very high	98.4	Very high	19 Å²	19	50.2 Å²	50.2	9%	0.089	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146.5	-173	-69.1	171.9	-178.8	0	0	112.8	R74 V209 S210 R213 K252	R74-E215 WeakPolarHBondContact CD-OE1 3.47Å; R74-E215 IonicContact CZ-OE1 2.72Å; R74-E215 IonicContact CZ-OE2 3.97Å; R74-E215 VanDerWaalsContact NE-CD 3.25Å; R74-E215 IonicContact NE-OE1 3.67Å; R74-E215 PolarHBondContact NE-OE1 3.02Å; R74-E215 IonicContact NE-OE2 3.92Å; R74-E215 PolarHBondContact NE-OE2 2.85Å; R74-E215 VanDerWaalsContact NE-OE2 3.1Å; R74-E215 IonicContact NH2-OE2 3.68Å; R74-E215 PolarHBondContact NH2-OE2 2.82Å; V209-E215 CarbonylContact C-O 3.58Å; V209-E215 WeakPolarHBondContact CA-O 3.23Å; S210-E215 PolarHBondContact N-O 3.33Å; S210-E215 PolarHBondContact O-N 3.07Å; R213-E215 VanDerWaalsContact C-N 3.33Å; R213-E215 HydrophobicContact CB-CB 4.24Å; R213-E215 HydrophobicContact CB-CG 3.72Å; R213-E215 IonicContact CZ-OE2 3.55Å; R213-E215 VanDerWaalsContact CZ-OE2 3.3Å; R213-E215 IonicContact NE-OE1 2.74Å; R213-E215 IonicContact NE-OE2 2.72Å; R213-E215 PolarHBondContact NE-OE2 3.48Å; R213-E215 IonicContact NH2-OE2 3.9Å; R213-E215 PolarHBondContact NH2-OE2 2.87Å; E215-K252 CarbonylContact C-O 3.6Å; E215-K252 WeakPolarHBondContact CA-O 3.46Å; E215-K252 HydrophobicContact CG-CB 4.42Å
216	L	98.9	Very high	98.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.6	170.4	-175.6	69.9	0	0	0	110.4	I174 F207 V209 T242 I245 A246 L251 K252 G254	I174-L216 HydrophobicContact CD1-CD1 3.73Å; I174-L216 HydrophobicContact CD1-CD2 4.26Å; I174-L216 HydrophobicContact CG1-CD1 4.26Å; F207-L216 HydrophobicContact CB-CD1 4.07Å; F207-L216 HydrophobicContact CD1-CD1 4.37Å; F207-L216 HydrophobicContact CD1-CD2 4.34Å; F207-L216 HydrophobicContact CD1-CG 4.43Å; V209-L216 HydrophobicContact CG2-CD1 3.99Å; L216-T242 HydrophobicContact CB-CG2 4.5Å; L216-T242 HydrophobicContact CD2-CG2 4.1Å; L216-T242 HydrophobicContact CG-CG2 4.11Å; L216-T242 WeakPolarHBondContact O-CG2 3.3Å; L216-I245 HydrophobicContact CD2-CB 3.75Å; L216-I245 HydrophobicContact CD2-CG2 3.48Å; L216-I245 VanDerWaalsContact CD2-CG2 3.48Å; L216-A246 HydrophobicContact CB-CB 4.04Å; L216-A246 HydrophobicContact CD2-CB 4.09Å; L216-L251 HydrophobicContact CB-CB 4.34Å; L216-L251 HydrophobicContact CB-CD1 4.02Å; L216-L251 HydrophobicContact CD1-CD1 4.39Å; L216-K252 PolarHBondContact N-O 2.81Å; L216-G254 PolarHBondContact O-N 2.8Å
217	S	98.9	Very high	98.3	Very high	12 Å²	12	48 Å²	48	8%	0.084	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	154.3	171.1	-62.9	0	0	0	0	110.7	F207 Y208 D255	F207-S217 WeakPolarHBondContact CA-O 3.29Å; Y208-S217 PolarHBondContact N-O 2.85Å; Y208-S217 PolarHBondContact O-N 3.1Å; S217-D255 CarbonylContact C-O 3.56Å; S217-D255 WeakPolarHBondContact CA-O 3.37Å; S217-D255 WeakPolarHBondContact CB-O 3.26Å; S217-D255 PolarHBondContact OG-N 3.17Å
218	C	98.9	Very high	98.2	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132.5	176.2	178.2	0	0	0	0	110.4	Q206 F207 T242 D255 F256 V257	Q206-C218 CarbonylContact O-C 3.54Å; Q206-C218 WeakPolarHBondContact O-CA 3.44Å; F207-C218 HydrophobicContact CD1-CB 4Å; F207-C218 HydrophobicContact CE1-CB 3.96Å; C218-T242 HydrophobicContact CB-CG2 4.13Å; C218-T242 WeakPolarHBondContact CB-OG1 3.31Å; C218-D255 PolarHBondContact N-O 3.37Å; C218-F256 HydrophobicContact CB-CD2 4.28Å; C218-F256 CarbonylContact O-C 3.55Å; C218-F256 WeakPolarHBondContact O-CA 3.42Å; C218-V257 PolarHBondContact O-N 2.82Å
219	Q	98.8	Very high	98	Very high	82 Å²	82	42.8 Å²	42.8	38%	0.383	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125	165.7	-178.1	173.7	-2.2	0	0	109.5	A205 Q206 V257 T259	A205-Q219 CarbonylContact C-O 3.36Å; A205-Q219 VanDerWaalsContact CA-O 3.3Å; A205-Q219 WeakPolarHBondContact CA-O 3.4Å; Q206-Q219 PolarHBondContact N-O 3.32Å; Q206-Q219 PolarHBondContact O-N 2.79Å; Q219-V257 CarbonylContact C-O 3.44Å; Q219-V257 VanDerWaalsContact CA-O 3.29Å; Q219-V257 WeakPolarHBondContact CA-O 3.45Å; Q219-V257 HydrophobicContact CB-CB 4.23Å; Q219-V257 HydrophobicContact CG-CB 4.15Å; Q219-V257 HydrophobicContact CG-CG1 4.2Å; Q219-T259 PolarHBondContact NE2-OG1 3.17Å
220	L	98.8	Very high	97.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135.3	175.2	172	65.3	0	0	0	110.4	H202 L204 Y238 F256 V257 T259	H202-L220 HydrophobicContact CB-CD1 3.63Å; H202-L220 HydrophobicContact CB-CD2 4.03Å; H202-L220 HydrophobicContact CB-CG 4.33Å; L204-L220 WeakPolarHBondContact O-CD1 3.17Å; L220-Y238 HydrophobicContact CB-CD1 4.49Å; L220-Y238 HydrophobicContact CD1-CD1 4.22Å; L220-Y238 HydrophobicContact CD1-CD2 4.44Å; L220-Y238 HydrophobicContact CD1-CE1 3.77Å; L220-Y238 HydrophobicContact CD1-CE2 4Å; L220-Y238 HydrophobicContact CD2-CD1 4.36Å; L220-Y238 HydrophobicContact CD2-CD2 3.57Å; L220-Y238 HydrophobicContact CD2-CE2 3.76Å; L220-Y238 HydrophobicContact CD2-CG 3.87Å; L220-F256 HydrophobicContact CB-CE2 3.82Å; L220-F256 HydrophobicContact CB-CZ 4.2Å; L220-F256 HydrophobicContact CD2-CE2 4.5Å; L220-F256 HydrophobicContact CD2-CZ 4.22Å; L220-V257 PolarHBondContact N-O 3.16Å; L220-T259 WeakPolarHBondContact O-CA 3.39Å; L220-T259 WeakPolarHBondContact O-CB 3.42Å; L220-T259 PolarHBondContact O-N 3.15Å
221	Y	98.8	Very high	97.9	Very high	97 Å²	97	42.7 Å²	42.7	38%	0.38	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	121	162.6	179.6	-100	0	0	0	110.6	C203 L204 R223 T259	C203-Y221 HydrophobicContact CB-CD1 4.23Å; C203-Y221 PolarHBondContact N-O 3.47Å; L204-Y221 PolarHBondContact N-O 3.03Å; L204-Y221 PolarHBondContact O-N 3.02Å; Y221-R223 HydrophobicContact CE1-CB 4.31Å; Y221-T259 CarbonylContact C-O 3.59Å; Y221-T259 VanDerWaalsContact CA-O 3.31Å; Y221-T259 WeakPolarHBondContact CA-O 3.26Å; Y221-T259 HydrophobicContact CD2-CG2 4.02Å
222	Q	98.7	Very high	98	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.014	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	115.8	178.5	173.8	163.1	-0.3	0	0	110.3	C201 S224 A225 N234 H258 T259 M260 G261	C201-Q222 CarbonylContact O-C 3.2Å; C201-Q222 VanDerWaalsContact O-CA 3.26Å; C201-Q222 WeakPolarHBondContact O-CA 3.21Å; C201-Q222 WeakPolarHBondContact O-CG 3.42Å; Q222-S224 VanDerWaalsContact C-N 3.28Å; Q222-S224 WeakPolarHBondContact CG-O 3.36Å; Q222-S224 PolarHBondContact NE2-O 3.48Å; Q222-S224 PolarHBondContact O-N 2.82Å; Q222-A225 HydrophobicContact CG-CB 4.11Å; Q222-N234 PolarHBondContact NE2-OD1 3.24Å; Q222-N234 PolarHBondContact OE1-OD1 2.85Å; Q222-H258 PolarHBondContact OE1-CE1 3.26Å; Q222-H258 VanDerWaalsContact OE1-CE1 3.26Å; Q222-H258 PolarHBondContact OE1-NE2 2.91Å; Q222-T259 PolarHBondContact N-O 3.39Å; Q222-M260 HydrophobicContact CB-CG 4.3Å; Q222-M260 CarbonylContact O-C 3.45Å; Q222-M260 VanDerWaalsContact O-CA 3.28Å; Q222-M260 WeakPolarHBondContact O-CA 3.42Å; Q222-G261 PolarHBondContact O-N 2.73Å
223	R	98.3	Very high	98	Very high	72 Å²	72	29.4 Å²	29.4	27%	0.272	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	-29.1	-174.4	66	169.9	179.7	75.7	8.6	113.7	W188 P199 P200 C201 C203 Y221 D262	W188-R223 VanDerWaalsContact CZ3-CD 3.47Å; P199-R223 PolarHBondContact O-NH2 3.17Å; P200-R223 WeakPolarHBondContact O-CD 3.07Å; P200-R223 PolarHBondContact O-NE 3.48Å; C201-R223 PolarHBondContact O-N 3.16Å; C203-R223 VanDerWaalsContact SG-CG 3.55Å; Y221-R223 HydrophobicContact CE1-CB 4.31Å; R223-D262 PolarHBondContact O-N 2.82Å
224	S	97.2	Very high	98	Very high	32 Å²	32	24 Å²	24	22%	0.224	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	118.7	-171	-176.8	0	0	0	0	108.1	Q222 D262 H264	Q222-S224 VanDerWaalsContact C-N 3.28Å; Q222-S224 WeakPolarHBondContact CG-O 3.36Å; Q222-S224 PolarHBondContact NE2-O 3.48Å; Q222-S224 PolarHBondContact O-N 2.82Å; S224-D262 CarbonylContact C-O 3.57Å; S224-D262 WeakPolarHBondContact CA-O 3.46Å; S224-H264 PolarHBondContact OG-CE1 2.96Å
225	A	97.9	Very high	98.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	93.4	-164.5	0	0	0	0	0	110.4	Q222 M227 V231 M260 D262 T263 H264	Q222-A225 HydrophobicContact CG-CB 4.11Å; A225-M227 PolarHBondContact O-N 3.25Å; A225-V231 HydrophobicContact CB-CG2 3.66Å; A225-M260 HydrophobicContact CB-CB 3.87Å; A225-M260 HydrophobicContact CB-CG 3.72Å; A225-M260 HydrophobicContact CB-SD 3.64Å; A225-D262 PolarHBondContact N-O 2.72Å; A225-T263 HydrophobicContact CB-CG2 4.27Å; A225-H264 PolarHBondContact O-N 3.43Å
226	D	97.2	Very high	98.1	Very high	25 Å²	25	21.9 Å²	21.9	13%	0.134	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	107.1	167.9	166.3	26.2	0	0	0	109.3	G228 L229 G230 V231 H264 Y266 H269	D226-G228 PolarHBondContact O-N 2.85Å; D226-G228 WeakPolarHBondContact OD1-CA 3.38Å; D226-G228 PolarHBondContact OD1-N 3.42Å; D226-L229 PolarHBondContact OD1-N 2.99Å; D226-L229 WeakPolarHBondContact OD2-CA 3.23Å; D226-L229 VanDerWaalsContact OD2-CB 3.23Å; D226-L229 WeakPolarHBondContact OD2-CB 3.47Å; D226-L229 PolarHBondContact OD2-N 2.9Å; D226-G230 PolarHBondContact O-N 3.31Å; D226-G230 VanDerWaalsContact O-N 3.15Å; D226-G230 PolarHBondContact OD2-N 3.46Å; D226-G230 VanDerWaalsContact OD2-N 3.16Å; D226-V231 WeakPolarHBondContact O-CG2 3.26Å; D226-V231 PolarHBondContact O-N 2.63Å; D226-H264 WeakPolarHBondContact CA-NE2 3.42Å; D226-Y266 HydrophobicContact CB-CE2 4.23Å; D226-H269 IonicContact OD1-ND1 3.84Å
227	M	98.1	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-21	-179	-66	-66.5	-66.5	0	0	112.9	Y39 L42 L43 I46 A225 V231 M260 T263 H264 V265	Y39-M227 HydrophobicContact CD2-CE 3.55Å; Y39-M227 HydrophobicContact CE2-CE 3.65Å; Y39-M227 WeakPolarHBondContact CE2-O 3.4Å; Y39-M227 HydrophobicContact CG-CE 4.49Å; Y39-M227 PolarHBondContact OH-O 3.34Å; L42-M227 HydrophobicContact CB-CE 4.14Å; L42-M227 HydrophobicContact CD2-CE 3.81Å; L42-M227 HydrophobicContact CD2-SD 4.21Å; L42-M227 HydrophobicContact CG-CE 3.89Å; L43-M227 HydrophobicContact CD2-CB 3.55Å; L43-M227 HydrophobicContact CD2-CE 4.29Å; L43-M227 HydrophobicContact CD2-CG 4.4Å; L43-M227 HydrophobicContact CG-CE 4.17Å; I46-M227 HydrophobicContact CD1-CG 3.75Å; A225-M227 PolarHBondContact O-N 3.25Å; M227-V231 HydrophobicContact CE-CG1 4.48Å; M227-V231 HydrophobicContact SD-CB 4.08Å; M227-V231 HydrophobicContact SD-CG1 3.96Å; M227-V231 HydrophobicContact SD-CG2 3.75Å; M227-M260 HydrophobicContact SD-SD 4.2Å; M227-T263 HydrophobicContact CG-CG2 3.7Å; M227-T263 HydrophobicContact SD-CG2 3.49Å; M227-T263 WeakPolarHBondContact SD-CG2 3.46Å; M227-H264 WeakPolarHBondContact CB-O 3.49Å; M227-H264 WeakPolarHBondContact CG-O 3.49Å; M227-H264 PolarHBondContact N-O 3.3Å; M227-V265 HydrophobicContact CB-CG2 4Å
228	G	97.2	Very high	98	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-58.9	179.9	0	0	0	0	0	112.3	K83 D226 M317	K83-G228 PolarHBondContact NZ-O 3.36Å; D226-G228 PolarHBondContact O-N 2.85Å; D226-G228 WeakPolarHBondContact OD1-CA 3.38Å; D226-G228 PolarHBondContact OD1-N 3.42Å; G228-M317 WeakPolarHBondContact O-CE 3.29Å
229	L	95.6	Very high	98	Very high	45 Å²	45	21.4 Å²	21.4	24%	0.236	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-53.3	-175	-58.6	167.5	0	0	0	112.4	D226 P232 F233 M317 M319	D226-L229 PolarHBondContact OD1-N 2.99Å; D226-L229 WeakPolarHBondContact OD2-CA 3.23Å; D226-L229 VanDerWaalsContact OD2-CB 3.23Å; D226-L229 WeakPolarHBondContact OD2-CB 3.47Å; D226-L229 PolarHBondContact OD2-N 2.9Å; L229-P232 WeakPolarHBondContact O-CD 3.48Å; L229-F233 WeakPolarHBondContact O-CD2 3.32Å; L229-M317 HydrophobicContact CD2-CB 3.79Å; L229-M317 HydrophobicContact CD2-CE 4.2Å; L229-M317 HydrophobicContact CG-CB 4.28Å; L229-M319 HydrophobicContact CD1-CB 4.12Å; L229-M319 HydrophobicContact CD1-CG 4.41Å
230	G	96.3	Very high	98	Very high	23 Å²	23	17.5 Å²	17.5	24%	0.237	9%	0.087	C	C	.	.	H	α-helix	trans	-64	-52.1	-169.2	0	0	0	0	0	115	D226 F233 N234	D226-G230 PolarHBondContact O-N 3.31Å; D226-G230 VanDerWaalsContact O-N 3.15Å; D226-G230 PolarHBondContact OD2-N 3.46Å; D226-G230 VanDerWaalsContact OD2-N 3.16Å; G230-F233 WeakPolarHBondContact O-CB 3.25Å; G230-F233 PolarHBondContact O-N 3.26Å; G230-F233 VanDerWaalsContact O-N 3.08Å; G230-N234 PolarHBondContact O-N 3.36Å; G230-N234 PolarHBondContact O-OD1 3.45Å; G230-N234 VanDerWaalsContact O-OD1 3.1Å
231	V	98.1	Very high	98	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.5	-46.5	-174.4	167.7	0	0	0	0	113.3	Y39 M69 A225 D226 M227 F233 N234 I235 M260	Y39-V231 HydrophobicContact CD2-CG1 4.06Å; Y39-V231 HydrophobicContact CE2-CG1 4.07Å; M69-V231 HydrophobicContact CE-CG1 3.71Å; A225-V231 HydrophobicContact CB-CG2 3.66Å; D226-V231 WeakPolarHBondContact O-CG2 3.26Å; D226-V231 PolarHBondContact O-N 2.63Å; M227-V231 HydrophobicContact CE-CG1 4.48Å; M227-V231 HydrophobicContact SD-CB 4.08Å; M227-V231 HydrophobicContact SD-CG1 3.96Å; M227-V231 HydrophobicContact SD-CG2 3.75Å; V231-F233 VanDerWaalsContact C-N 3.26Å; V231-F233 PolarHBondContact O-N 3.18Å; V231-N234 PolarHBondContact O-N 2.72Å; V231-N234 VanDerWaalsContact O-N 3.08Å; V231-I235 HydrophobicContact CG1-CD1 3.78Å; V231-I235 HydrophobicContact CG1-CG1 4.19Å; V231-I235 VanDerWaalsContact O-CG1 3.31Å; V231-I235 WeakPolarHBondContact O-CG1 3.37Å; V231-I235 PolarHBondContact O-N 2.96Å; V231-M260 HydrophobicContact CG1-SD 4.33Å; V231-M260 HydrophobicContact CG2-SD 3.87Å
232	P	98.2	Very high	98.1	Very high	4 Å²	4	12.9 Å²	12.9	3%	0.026	7%	0.069	C	C	.	.	H	α-helix	trans	-52	-41.2	172.1	-27.7	32.1	0	0	0	114.3	Y39 L80 V85 L229 A236	Y39-P232 HydrophobicContact CE2-CG 4.16Å; L80-P232 HydrophobicContact CD1-CB 3.76Å; L80-P232 HydrophobicContact CD1-CG 3.76Å; L80-P232 HydrophobicContact CG-CB 4.46Å; V85-P232 HydrophobicContact CG2-CB 4.15Å; L229-P232 WeakPolarHBondContact O-CD 3.48Å; P232-A236 PolarHBondContact O-N 3.19Å
233	F	97.7	Very high	98.1	Very high	49 Å²	49	13.6 Å²	13.6	22%	0.215	7%	0.072	C	C	.	.	H	α-helix	trans	-68.2	-44.1	175.4	-89.9	-100.6	0	0	0	111.3	A89 V90 I114 L229 G230 V231 I235 A236 S237	A89-F233 HydrophobicContact CB-CE1 3.88Å; A89-F233 HydrophobicContact CB-CZ 4.44Å; V90-F233 HydrophobicContact CB-CD1 4.44Å; V90-F233 HydrophobicContact CG2-CD1 3.38Å; V90-F233 HydrophobicContact CG2-CE1 3.72Å; V90-F233 HydrophobicContact CG2-CG 4.08Å; I114-F233 HydrophobicContact CG2-CE1 4.5Å; L229-F233 WeakPolarHBondContact O-CD2 3.32Å; G230-F233 WeakPolarHBondContact O-CB 3.25Å; G230-F233 PolarHBondContact O-N 3.26Å; G230-F233 VanDerWaalsContact O-N 3.08Å; V231-F233 VanDerWaalsContact C-N 3.26Å; V231-F233 PolarHBondContact O-N 3.18Å; F233-I235 PolarHBondContact O-N 2.91Å; F233-A236 PolarHBondContact O-N 2.92Å; F233-S237 VanDerWaalsContact O-CB 3.25Å; F233-S237 WeakPolarHBondContact O-CB 3.43Å; F233-S237 PolarHBondContact O-N 2.87Å
234	N	98.3	Very high	98.1	Very high	13 Å²	13	10.1 Å²	10.1	7%	0.07	6%	0.059	C	C	.	.	H	α-helix	trans	-67.8	-35.7	-177.2	-59.5	144.5	0	0	0	112.8	H202 Q222 G230 V231 S237 Y238	H202-N234 PolarHBondContact CD2-ND2 2.88Å; Q222-N234 PolarHBondContact NE2-OD1 3.24Å; Q222-N234 PolarHBondContact OE1-OD1 2.85Å; G230-N234 PolarHBondContact O-N 3.36Å; G230-N234 PolarHBondContact O-OD1 3.45Å; G230-N234 VanDerWaalsContact O-OD1 3.1Å; V231-N234 PolarHBondContact O-N 2.72Å; V231-N234 VanDerWaalsContact O-N 3.08Å; N234-S237 PolarHBondContact O-N 2.71Å; N234-Y238 PolarHBondContact O-N 3.5Å
235	I	98.7	Very high	98.2	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-58.8	-54	173.5	-65	160.8	0	0	0	110	Y39 M69 F71 P78 V231 F233 S237 A239 F256	Y39-I235 HydrophobicContact CD2-CD1 4.42Å; M69-I235 HydrophobicContact CE-CD1 3.87Å; M69-I235 HydrophobicContact CE-CG1 4.22Å; F71-I235 HydrophobicContact CD1-CG2 4.39Å; F71-I235 HydrophobicContact CD2-CG2 4.17Å; F71-I235 HydrophobicContact CE1-CD1 4.37Å; F71-I235 HydrophobicContact CE1-CG2 4.22Å; F71-I235 HydrophobicContact CE2-CD1 4.13Å; F71-I235 HydrophobicContact CE2-CG1 3.96Å; F71-I235 HydrophobicContact CE2-CG2 3.96Å; F71-I235 HydrophobicContact CG-CG2 4.38Å; F71-I235 HydrophobicContact CZ-CD1 3.62Å; F71-I235 HydrophobicContact CZ-CG1 3.97Å; F71-I235 HydrophobicContact CZ-CG2 4Å; P78-I235 HydrophobicContact CB-CG2 3.75Å; P78-I235 HydrophobicContact CG-CG2 3.95Å; P78-I235 WeakPolarHBondContact O-CG2 3.37Å; V231-I235 HydrophobicContact CG1-CD1 3.78Å; V231-I235 HydrophobicContact CG1-CG1 4.19Å; V231-I235 VanDerWaalsContact O-CG1 3.31Å; V231-I235 WeakPolarHBondContact O-CG1 3.37Å; V231-I235 PolarHBondContact O-N 2.96Å; F233-I235 PolarHBondContact O-N 2.91Å; I235-S237 VanDerWaalsContact C-N 3.35Å; I235-S237 PolarHBondContact O-N 2.87Å; I235-A239 WeakPolarHBondContact O-CB 3.45Å; I235-A239 PolarHBondContact O-N 2.58Å; I235-F256 HydrophobicContact CB-CE1 4.24Å; I235-F256 HydrophobicContact CG1-CE1 4.28Å; I235-F256 HydrophobicContact CG2-CD1 4.26Å; I235-F256 HydrophobicContact CG2-CE1 4.11Å
236	A	98.7	Very high	98.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-65.9	-37.8	-178.6	0	0	0	0	0	112.1	F77 L79 V90 P232 F233 L240	F77-A236 HydrophobicContact CE1-CB 4.21Å; F77-A236 HydrophobicContact CZ-CB 4.21Å; F77-A236 WeakPolarHBondContact CZ-O 3.01Å; L79-A236 HydrophobicContact CD1-CB 3.82Å; V90-A236 HydrophobicContact CG1-CB 3.87Å; V90-A236 HydrophobicContact CG2-CB 4.28Å; P232-A236 PolarHBondContact O-N 3.19Å; F233-A236 PolarHBondContact O-N 2.92Å; A236-L240 VanDerWaalsContact O-CB 3.29Å; A236-L240 WeakPolarHBondContact O-CB 3.32Å; A236-L240 PolarHBondContact O-N 2.78Å
237	S	98.8	Very high	98.3	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.007	5%	0.05	C	C	.	.	H	α-helix	trans	-64.6	-51.6	-179.5	-173.2	0	0	0	0	112.1	L94 F233 N234 I235 L240 L241	L94-S237 WeakPolarHBondContact CD2-O 3.36Å; F233-S237 VanDerWaalsContact O-CB 3.25Å; F233-S237 WeakPolarHBondContact O-CB 3.43Å; F233-S237 PolarHBondContact O-N 2.87Å; N234-S237 PolarHBondContact O-N 2.71Å; I235-S237 VanDerWaalsContact C-N 3.35Å; I235-S237 PolarHBondContact O-N 2.87Å; S237-L240 PolarHBondContact O-N 2.88Å; S237-L241 PolarHBondContact O-N 3.04Å
238	Y	98.9	Very high	98.3	Very high	3 Å²	3	9.8 Å²	9.8	1%	0.012	5%	0.054	C	C	.	.	H	α-helix	trans	-75.1	-27.6	-179.7	-82.5	-93.6	0	0	0	113.1	W145 H202 A205 L220 N234 L241 T242 F256	W145-Y238 WeakPolarHBondContact CZ2-OH 2.95Å; H202-Y238 HydrophobicContact CB-CE2 3.79Å; H202-Y238 AromaticContact CG-CE2 3.68Å; H202-Y238 AromaticContact ND1-CE2 3.7Å; H202-Y238 AromaticContact ND1-CZ 3.81Å; H202-Y238 PolarHBondContact ND1-OH 2.91Å; A205-Y238 HydrophobicContact CB-CD1 4.29Å; A205-Y238 HydrophobicContact CB-CE1 3.8Å; L220-Y238 HydrophobicContact CB-CD1 4.49Å; L220-Y238 HydrophobicContact CD1-CD1 4.22Å; L220-Y238 HydrophobicContact CD1-CD2 4.44Å; L220-Y238 HydrophobicContact CD1-CE1 3.77Å; L220-Y238 HydrophobicContact CD1-CE2 4Å; L220-Y238 HydrophobicContact CD2-CD1 4.36Å; L220-Y238 HydrophobicContact CD2-CD2 3.57Å; L220-Y238 HydrophobicContact CD2-CE2 3.76Å; L220-Y238 HydrophobicContact CD2-CG 3.87Å; N234-Y238 PolarHBondContact O-N 3.5Å; Y238-L241 HydrophobicContact CD1-CD2 4.09Å; Y238-L241 HydrophobicContact CE1-CD2 4.13Å; Y238-T242 WeakPolarHBondContact O-CB 3.48Å; Y238-T242 PolarHBondContact O-N 2.74Å; Y238-T242 PolarHBondContact O-OG1 2.96Å; Y238-F256 VanDerWaalsContact CB-CE2 3.46Å; Y238-F256 HydrophobicContact CG-CE2 4.36Å
239	A	98.9	Very high	98.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.5	-47.8	166.4	0	0	0	0	0	110.9	M73 F77 P78 I235 T242 H243	M73-A239 VanDerWaalsContact SD-CA 3.58Å; M73-A239 HydrophobicContact SD-CB 3.51Å; M73-A239 VanDerWaalsContact SD-CB 3.51Å; F77-A239 HydrophobicContact CD2-CB 4.25Å; F77-A239 HydrophobicContact CE2-CB 3.68Å; F77-A239 HydrophobicContact CZ-CB 4.25Å; P78-A239 HydrophobicContact CG-CB 3.56Å; I235-A239 WeakPolarHBondContact O-CB 3.45Å; I235-A239 PolarHBondContact O-N 2.58Å; A239-T242 WeakPolarHBondContact O-CB 3.28Å; A239-T242 PolarHBondContact O-N 2.77Å; A239-H243 PolarHBondContact O-N 3.29Å; A239-H243 PolarHBondContact O-ND1 2.81Å
240	L	98.9	Very high	98.4	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.2	-44.2	178	179.3	60.9	0	0	0	111.8	F77 F87 A91 L94 A236 S237 T242 H243 M244 L287 F304	F77-L240 HydrophobicContact CE2-CB 4.18Å; F77-L240 HydrophobicContact CZ-CB 4.17Å; F87-L240 HydrophobicContact CE2-CD2 4.25Å; F87-L240 HydrophobicContact CZ-CD2 4.14Å; A91-L240 HydrophobicContact CB-CD2 3.83Å; L94-L240 HydrophobicContact CD2-CB 3.82Å; L94-L240 HydrophobicContact CD2-CD2 3.75Å; L94-L240 HydrophobicContact CD2-CG 3.62Å; A236-L240 VanDerWaalsContact O-CB 3.29Å; A236-L240 WeakPolarHBondContact O-CB 3.32Å; A236-L240 PolarHBondContact O-N 2.78Å; S237-L240 PolarHBondContact O-N 2.88Å; L240-T242 VanDerWaalsContact C-N 3.26Å; L240-T242 PolarHBondContact O-N 2.91Å; L240-H243 WeakPolarHBondContact O-CB 3.32Å; L240-H243 PolarHBondContact O-N 3.03Å; L240-H243 VanDerWaalsContact O-N 3.1Å; L240-M244 HydrophobicContact CD1-CG 4.37Å; L240-M244 HydrophobicContact CD1-SD 4.47Å; L240-M244 HydrophobicContact CG-CG 4.46Å; L240-M244 HydrophobicContact CG-SD 4.02Å; L240-M244 WeakPolarHBondContact O-CG 3.23Å; L240-M244 PolarHBondContact O-N 3.09Å; L240-L287 HydrophobicContact CD1-CD1 4.4Å; L240-L287 HydrophobicContact CD1-CD2 3.5Å; L240-F304 HydrophobicContact CD1-CD1 3.79Å; L240-F304 HydrophobicContact CD1-CE1 3.74Å; L240-F304 HydrophobicContact CD1-CG 4.27Å; L240-F304 HydrophobicContact CD1-CZ 4.16Å; L240-F304 HydrophobicContact CD2-CE2 4.38Å
241	L	98.9	Very high	98.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-56.1	-43.6	174.8	179.7	59.7	0	0	0	111.5	L94 V98 W145 M185 F207 S237 Y238 H243 M244 I245 I296	L94-L241 HydrophobicContact CD1-CB 4.03Å; L94-L241 HydrophobicContact CD1-CD1 4.28Å; L94-L241 HydrophobicContact CD2-CB 3.99Å; V98-L241 HydrophobicContact CG2-CD1 4.38Å; W145-L241 HydrophobicContact CH2-CD2 3.97Å; W145-L241 HydrophobicContact CZ3-CD2 4.13Å; M185-L241 HydrophobicContact CE-CD2 3.84Å; F207-L241 HydrophobicContact CZ-CD2 4.31Å; S237-L241 PolarHBondContact O-N 3.04Å; Y238-L241 HydrophobicContact CD1-CD2 4.09Å; Y238-L241 HydrophobicContact CE1-CD2 4.13Å; L241-H243 VanDerWaalsContact C-N 3.35Å; L241-H243 PolarHBondContact O-N 3.15Å; L241-M244 PolarHBondContact O-N 3.17Å; L241-I245 HydrophobicContact CD1-CD1 3.88Å; L241-I245 HydrophobicContact CD1-CG1 4.16Å; L241-I245 HydrophobicContact CG-CD1 3.91Å; L241-I245 WeakPolarHBondContact O-CG1 3.19Å; L241-I245 PolarHBondContact O-N 3.45Å; L241-I296 HydrophobicContact CD1-CD1 4.29Å
242	T	98.9	Very high	98.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.7	-41.1	177.8	-51.9	0	0	0	0	111.3	M73 L216 C218 Y238 A239 L240 A246	M73-T242 HydrophobicContact CE-CG2 3.69Å; L216-T242 HydrophobicContact CB-CG2 4.5Å; L216-T242 HydrophobicContact CD2-CG2 4.1Å; L216-T242 HydrophobicContact CG-CG2 4.11Å; L216-T242 WeakPolarHBondContact O-CG2 3.3Å; C218-T242 HydrophobicContact CB-CG2 4.13Å; C218-T242 WeakPolarHBondContact CB-OG1 3.31Å; Y238-T242 WeakPolarHBondContact O-CB 3.48Å; Y238-T242 PolarHBondContact O-N 2.74Å; Y238-T242 PolarHBondContact O-OG1 2.96Å; A239-T242 WeakPolarHBondContact O-CB 3.28Å; A239-T242 PolarHBondContact O-N 2.77Å; L240-T242 VanDerWaalsContact C-N 3.26Å; L240-T242 PolarHBondContact O-N 2.91Å; T242-A246 WeakPolarHBondContact O-CB 3.38Å; T242-A246 PolarHBondContact O-N 3.39Å
243	H	98.8	Very high	98.6	Very high	18 Å²	18	20.8 Å²	20.8	8%	0.083	12%	0.119	C	C	.	.	H	α-helix	trans	-63.7	-42.4	174.3	-74	69.1	0	0	0	111.9	F77 A239 L240 L241 A246 H247 L287 I289	F77-H243 AromaticContact CD2-CE1 3.82Å; A239-H243 PolarHBondContact O-N 3.29Å; A239-H243 PolarHBondContact O-ND1 2.81Å; L240-H243 WeakPolarHBondContact O-CB 3.32Å; L240-H243 PolarHBondContact O-N 3.03Å; L240-H243 VanDerWaalsContact O-N 3.1Å; L241-H243 VanDerWaalsContact C-N 3.35Å; L241-H243 PolarHBondContact O-N 3.15Å; H243-A246 PolarHBondContact O-N 2.85Å; H243-H247 VanDerWaalsContact O-CB 3.22Å; H243-H247 WeakPolarHBondContact O-CB 3.45Å; H243-H247 PolarHBondContact O-N 3.16Å; H243-L287 HydrophobicContact CB-CD2 3.97Å; H243-I289 HydrophobicContact CB-CD1 4.35Å
244	M	98.8	Very high	98.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.9	-47	178.5	-70.7	167.6	65.2	0	0	111.7	L94 L95 V98 L240 L241 H247 V248 I296 F299 F304	L94-M244 HydrophobicContact CD2-SD 3.62Å; L94-M244 HydrophobicContact CG-SD 4.33Å; L95-M244 HydrophobicContact CD2-CE 3.86Å; V98-M244 HydrophobicContact CG2-CE 4.14Å; L240-M244 HydrophobicContact CD1-CG 4.37Å; L240-M244 HydrophobicContact CD1-SD 4.47Å; L240-M244 HydrophobicContact CG-CG 4.46Å; L240-M244 HydrophobicContact CG-SD 4.02Å; L240-M244 WeakPolarHBondContact O-CG 3.23Å; L240-M244 PolarHBondContact O-N 3.09Å; L241-M244 PolarHBondContact O-N 3.17Å; M244-H247 WeakPolarHBondContact O-CB 3.46Å; M244-H247 PolarHBondContact O-N 3.2Å; M244-V248 PolarHBondContact O-N 3.12Å; M244-V248 VanDerWaalsContact O-N 3.12Å; M244-I296 HydrophobicContact CB-CD1 4.33Å; M244-I296 HydrophobicContact CB-CG1 4.39Å; M244-I296 HydrophobicContact CE-CG1 3.91Å; M244-F299 HydrophobicContact CB-CD2 4.14Å; M244-F299 HydrophobicContact CB-CE2 3.65Å; M244-F299 HydrophobicContact CB-CZ 4.16Å; M244-F299 HydrophobicContact CE-CB 3.99Å; M244-F299 HydrophobicContact CE-CD2 3.54Å; M244-F299 HydrophobicContact CE-CE2 4.23Å; M244-F299 HydrophobicContact CE-CG 3.96Å; M244-F299 HydrophobicContact CG-CD2 3.98Å; M244-F299 HydrophobicContact CG-CE1 4.5Å; M244-F299 HydrophobicContact CG-CE2 3.79Å; M244-F299 HydrophobicContact CG-CG 4.4Å; M244-F299 HydrophobicContact CG-CZ 4.07Å; M244-F304 HydrophobicContact CE-CZ 4.44Å; M244-F304 HydrophobicContact CG-CE1 4.03Å; M244-F304 HydrophobicContact CG-CZ 4.03Å; M244-F304 HydrophobicContact SD-CE1 4.44Å; M244-F304 HydrophobicContact SD-CZ 3.88Å
245	I	98.8	Very high	98.6	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.4	-48.7	177.6	-65	169.4	0	0	0	109.8	L167 V170 I171 I174 F207 L216 L241 H247 V248 T249 I296	L167-I245 HydrophobicContact CD1-CD1 4.23Å; V170-I245 HydrophobicContact CG1-CD1 4.32Å; I171-I245 HydrophobicContact CG1-CG2 4.31Å; I174-I245 HydrophobicContact CD1-CG2 3.49Å; I174-I245 VanDerWaalsContact CD1-CG2 3.49Å; F207-I245 HydrophobicContact CD1-CD1 4.43Å; F207-I245 HydrophobicContact CE1-CD1 3.62Å; F207-I245 HydrophobicContact CE2-CD1 4.27Å; F207-I245 HydrophobicContact CZ-CD1 3.53Å; L216-I245 HydrophobicContact CD2-CB 3.75Å; L216-I245 HydrophobicContact CD2-CG2 3.48Å; L216-I245 VanDerWaalsContact CD2-CG2 3.48Å; L241-I245 HydrophobicContact CD1-CD1 3.88Å; L241-I245 HydrophobicContact CD1-CG1 4.16Å; L241-I245 HydrophobicContact CG-CD1 3.91Å; L241-I245 WeakPolarHBondContact O-CG1 3.19Å; L241-I245 PolarHBondContact O-N 3.45Å; I245-H247 VanDerWaalsContact C-N 3.26Å; I245-H247 PolarHBondContact O-N 2.97Å; I245-V248 WeakPolarHBondContact O-CG2 3.32Å; I245-V248 PolarHBondContact O-N 2.94Å; I245-T249 HydrophobicContact CG2-CG2 4.26Å; I245-T249 WeakPolarHBondContact O-CG2 3.42Å; I245-T249 PolarHBondContact O-N 3.34Å; I245-T249 PolarHBondContact O-OG1 2.83Å; I245-I296 HydrophobicContact CG1-CD1 3.68Å
246	A	98.7	Very high	98.6	Very high	1 Å²	1	19 Å²	19	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-55	-44.4	177.5	0	0	0	0	0	111.4	L216 T242 H243 T249 G250 L251	L216-A246 HydrophobicContact CB-CB 4.04Å; L216-A246 HydrophobicContact CD2-CB 4.09Å; T242-A246 WeakPolarHBondContact O-CB 3.38Å; T242-A246 PolarHBondContact O-N 3.39Å; H243-A246 PolarHBondContact O-N 2.85Å; A246-T249 CarbonylContact O-C 3.54Å; A246-T249 PolarHBondContact O-N 2.86Å; A246-T249 PolarHBondContact O-OG1 2.81Å; A246-G250 PolarHBondContact O-N 2.76Å; A246-L251 CarbonylContact C-O 3.58Å; A246-L251 HydrophobicContact CB-CB 4.15Å; A246-L251 PolarHBondContact O-N 3.32Å; A246-L251 VanDerWaalsContact O-O 3.13Å
247	H	98.5	Very high	98.6	Very high	36 Å²	36	19.5 Å²	19.5	17%	0.167	12%	0.115	C	C	.	.	H	α-helix	trans	-58.1	-50.4	177.7	-178.9	95.3	0	0	0	112.6	H243 M244 I245 T249 G250 I289 Q292 V293 F299	H243-H247 VanDerWaalsContact O-CB 3.22Å; H243-H247 WeakPolarHBondContact O-CB 3.45Å; H243-H247 PolarHBondContact O-N 3.16Å; M244-H247 WeakPolarHBondContact O-CB 3.46Å; M244-H247 PolarHBondContact O-N 3.2Å; I245-H247 VanDerWaalsContact C-N 3.26Å; I245-H247 PolarHBondContact O-N 2.97Å; H247-T249 VanDerWaalsContact C-N 3.27Å; H247-T249 PolarHBondContact O-N 3.29Å; H247-G250 PolarHBondContact O-N 2.82Å; H247-I289 HydrophobicContact CB-CD1 3.84Å; H247-Q292 PolarHBondContact CE1-OE1 3.14Å; H247-Q292 PolarHBondContact NE2-NE2 3.37Å; H247-Q292 VanDerWaalsContact NE2-NE2 3.12Å; H247-Q292 PolarHBondContact NE2-OE1 3.18Å; H247-V293 PolarHBondContact NE2-N 3.42Å; H247-F299 HydrophobicContact CB-CZ 4.13Å; H247-F299 AromaticContact CD2-CZ 3.78Å; H247-F299 AromaticContact CG-CZ 3.96Å
248	V	98.5	Very high	98.6	Very high	12 Å²	12	19.4 Å²	19.4	7%	0.073	11%	0.114	C	C	.	.	H	α-helix	trans	-75.5	-15.3	-178.6	-59.4	0	0	0	0	113.2	I171 R175 M244 I245 V293 F299	I171-V248 HydrophobicContact CD1-CG2 4.35Å; I171-V248 HydrophobicContact CG2-CG2 4.4Å; R175-V248 PolarHBondContact NE-O 2.82Å; R175-V248 PolarHBondContact NH2-O 3.15Å; M244-V248 PolarHBondContact O-N 3.12Å; M244-V248 VanDerWaalsContact O-N 3.12Å; I245-V248 WeakPolarHBondContact O-CG2 3.32Å; I245-V248 PolarHBondContact O-N 2.94Å; V248-V293 HydrophobicContact CG1-CG2 4.03Å; V248-F299 HydrophobicContact CG1-CE2 3.91Å; V248-F299 HydrophobicContact CG1-CZ 4.49Å
249	T	98.4	Very high	98.6	Very high	23 Å²	23	20.5 Å²	20.5	14%	0.141	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	4.9	175	65.8	0	0	0	0	113.6	I171 I174 R175 I245 A246 H247 L251	I171-T249 HydrophobicContact CG2-CG2 4.04Å; I174-T249 HydrophobicContact CB-CG2 4.17Å; I174-T249 HydrophobicContact CG2-CG2 3.71Å; R175-T249 HydrophobicContact CG-CG2 3.9Å; I245-T249 HydrophobicContact CG2-CG2 4.26Å; I245-T249 WeakPolarHBondContact O-CG2 3.42Å; I245-T249 PolarHBondContact O-N 3.34Å; I245-T249 PolarHBondContact O-OG1 2.83Å; A246-T249 CarbonylContact O-C 3.54Å; A246-T249 PolarHBondContact O-N 2.86Å; A246-T249 PolarHBondContact O-OG1 2.81Å; H247-T249 VanDerWaalsContact C-N 3.27Å; H247-T249 PolarHBondContact O-N 3.29Å; T249-L251 VanDerWaalsContact C-N 3.3Å; T249-L251 PolarHBondContact O-N 2.86Å
250	G	97.6	Very high	98.6	Very high	70 Å²	70	20.6 Å²	20.6	72%	0.722	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	22	179.2	0	0	0	0	0	114.8	A246 H247	A246-G250 PolarHBondContact O-N 2.76Å; H247-G250 PolarHBondContact O-N 2.82Å
251	L	98.5	Very high	98.6	Very high	38 Å²	38	20.7 Å²	20.7	20%	0.199	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-102.8	170	177.1	-62.4	174.9	0	0	0	111.2	I174 V209 L216 A246 T249	I174-L251 HydrophobicContact CG2-CD1 3.61Å; V209-L251 HydrophobicContact CG1-CD1 3.83Å; V209-L251 HydrophobicContact CG1-CD2 4.22Å; V209-L251 HydrophobicContact CG2-CD1 4.06Å; L216-L251 HydrophobicContact CB-CB 4.34Å; L216-L251 HydrophobicContact CB-CD1 4.02Å; L216-L251 HydrophobicContact CD1-CD1 4.39Å; A246-L251 CarbonylContact C-O 3.58Å; A246-L251 HydrophobicContact CB-CB 4.15Å; A246-L251 PolarHBondContact O-N 3.32Å; A246-L251 VanDerWaalsContact O-O 3.13Å; T249-L251 VanDerWaalsContact C-N 3.3Å; T249-L251 PolarHBondContact O-N 2.86Å
252	K	98.5	Very high	98.6	Very high	146 Å²	146	22.3 Å²	22.3	64%	0.635	13%	0.132	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	153	170.7	-64	176.2	-176.1	175.4	0	110.6	G214 E215 L216	G214-K252 PolarHBondContact O-N 2.96Å; E215-K252 CarbonylContact C-O 3.6Å; E215-K252 WeakPolarHBondContact CA-O 3.46Å; E215-K252 HydrophobicContact CG-CB 4.42Å; L216-K252 PolarHBondContact N-O 2.81Å
253	P	98.7	Very high	98.5	Very high	27 Å²	27	22.3 Å²	22.3	18%	0.175	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	137.1	172	30.1	-36.4	0	0	0	111	M73	M73-P253 HydrophobicContact CB-CB 3.92Å; M73-P253 HydrophobicContact CE-CB 4.4Å
254	G	98.7	Very high	98.5	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-117.2	175.3	0	0	0	0	0	111.6	M73 L216	M73-G254 VanDerWaalsContact CB-O 3.3Å; M73-G254 WeakPolarHBondContact CB-O 3.41Å; M73-G254 PolarHBondContact N-O 3.33Å; L216-G254 PolarHBondContact O-N 2.8Å
255	D	98.6	Very high	98.5	Very high	25 Å²	25	22 Å²	22	13%	0.134	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	140.9	-178.4	-54.7	-70.3	0	0	0	111.3	R70 F71 R74 S217 C218	R70-D255 IonicContact NH1-OD1 3.99Å; R70-D255 IonicContact NH1-OD2 2.79Å; F71-D255 WeakPolarHBondContact O-CA 3.28Å; R74-D255 IonicContact CZ-OD1 3.86Å; R74-D255 IonicContact CZ-OD2 3.58Å; R74-D255 IonicContact NH1-OD1 2.82Å; R74-D255 PolarHBondContact NH1-OD1 3.31Å; R74-D255 IonicContact NH1-OD2 3.31Å; R74-D255 IonicContact NH2-OD1 3.55Å; R74-D255 IonicContact NH2-OD2 3.81Å; R74-D255 PolarHBondContact NH2-OD2 2.82Å; S217-D255 CarbonylContact C-O 3.56Å; S217-D255 WeakPolarHBondContact CA-O 3.37Å; S217-D255 WeakPolarHBondContact CB-O 3.26Å; S217-D255 PolarHBondContact OG-N 3.17Å; C218-D255 PolarHBondContact N-O 3.37Å
256	F	98.8	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.7	163.3	172.6	-119	0	0	0	109.5	R70 F71 M73 C218 L220 I235 Y238 H258	R70-F256 CarbonylContact C-O 3.5Å; R70-F256 WeakPolarHBondContact CA-O 3.21Å; F71-F256 HydrophobicContact CB-CB 4.42Å; F71-F256 HydrophobicContact CB-CD1 4.49Å; F71-F256 AromaticContact CD2-CD1 3.55Å; F71-F256 HydrophobicContact CD2-CD1 3.55Å; F71-F256 HydrophobicContact CD2-CE1 4.07Å; F71-F256 HydrophobicContact CE2-CD1 4.2Å; F71-F256 HydrophobicContact CE2-CE1 4.26Å; F71-F256 HydrophobicContact CG-CD1 4.34Å; F71-F256 PolarHBondContact N-O 3.26Å; F71-F256 PolarHBondContact O-N 3Å; M73-F256 HydrophobicContact CE-CB 3.75Å; M73-F256 HydrophobicContact CG-CB 4.38Å; M73-F256 HydrophobicContact SD-CB 3.77Å; C218-F256 HydrophobicContact CB-CD2 4.28Å; C218-F256 CarbonylContact O-C 3.55Å; C218-F256 WeakPolarHBondContact O-CA 3.42Å; L220-F256 HydrophobicContact CB-CE2 3.82Å; L220-F256 HydrophobicContact CB-CZ 4.2Å; L220-F256 HydrophobicContact CD2-CE2 4.5Å; L220-F256 HydrophobicContact CD2-CZ 4.22Å; I235-F256 HydrophobicContact CB-CE1 4.24Å; I235-F256 HydrophobicContact CG1-CE1 4.28Å; I235-F256 HydrophobicContact CG2-CD1 4.26Å; I235-F256 HydrophobicContact CG2-CE1 4.11Å; Y238-F256 VanDerWaalsContact CB-CE2 3.46Å; Y238-F256 HydrophobicContact CG-CE2 4.36Å; F256-H258 HydrophobicContact CE1-CB 3.76Å; F256-H258 HydrophobicContact CZ-CB 3.75Å; F256-H258 AromaticContact CZ-CG 3.88Å
257	V	98.8	Very high	98.3	Very high	9 Å²	9	25.8 Å²	25.8	6%	0.055	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	117.2	-179.7	-176.1	0	0	0	0	109	Q68 M69 R70 C218 Q219 L220	Q68-V257 HydrophobicContact CG-CG1 3.74Å; M69-V257 CarbonylContact O-C 3.55Å; M69-V257 WeakPolarHBondContact O-CA 3.26Å; R70-V257 HydrophobicContact CG-CG2 4.4Å; C218-V257 PolarHBondContact O-N 2.82Å; Q219-V257 CarbonylContact C-O 3.44Å; Q219-V257 VanDerWaalsContact CA-O 3.29Å; Q219-V257 WeakPolarHBondContact CA-O 3.45Å; Q219-V257 HydrophobicContact CB-CB 4.23Å; Q219-V257 HydrophobicContact CG-CB 4.15Å; Q219-V257 HydrophobicContact CG-CG1 4.2Å; L220-V257 PolarHBondContact N-O 3.16Å
258	H	98.7	Very high	98.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	102.6	-175.9	-163.5	174.2	0	0	0	109.9	Q68 M69 F71 Q222 F256	Q68-H258 CarbonylContact C-O 3.42Å; Q68-H258 VanDerWaalsContact CA-O 3.26Å; Q68-H258 WeakPolarHBondContact CA-O 3.31Å; M69-H258 HydrophobicContact CB-CB 4.46Å; M69-H258 HydrophobicContact CE-CB 4.21Å; M69-H258 PolarHBondContact N-O 2.85Å; M69-H258 PolarHBondContact O-N 2.94Å; F71-H258 HydrophobicContact CE2-CB 4.45Å; Q222-H258 PolarHBondContact OE1-CE1 3.26Å; Q222-H258 VanDerWaalsContact OE1-CE1 3.26Å; Q222-H258 PolarHBondContact OE1-NE2 2.91Å; F256-H258 HydrophobicContact CE1-CB 3.76Å; F256-H258 HydrophobicContact CZ-CB 3.75Å; F256-H258 AromaticContact CZ-CG 3.88Å
259	T	98.8	Very high	98.2	Very high	26 Å²	26	27 Å²	27	16%	0.16	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.6	176.9	-50	0	0	0	0	109.1	S67 Q68 Q219 L220 Y221 Q222	S67-T259 CarbonylContact O-C 3.52Å; S67-T259 WeakPolarHBondContact O-CA 3.36Å; Q68-T259 PolarHBondContact NE2-OG1 2.89Å; Q219-T259 PolarHBondContact NE2-OG1 3.17Å; L220-T259 WeakPolarHBondContact O-CA 3.39Å; L220-T259 WeakPolarHBondContact O-CB 3.42Å; L220-T259 PolarHBondContact O-N 3.15Å; Y221-T259 CarbonylContact C-O 3.59Å; Y221-T259 VanDerWaalsContact CA-O 3.31Å; Y221-T259 WeakPolarHBondContact CA-O 3.26Å; Y221-T259 HydrophobicContact CD2-CG2 4.02Å; Q222-T259 PolarHBondContact N-O 3.39Å
260	M	98.6	Very high	98.1	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	138.9	-173.8	-63.4	167.2	-67.7	0	0	110.6	L42 G66 S67 M69 Q222 A225 M227 V231 T263	L42-M260 HydrophobicContact CD2-CE 3.52Å; G66-M260 CarbonylContact C-O 3.05Å; G66-M260 WeakPolarHBondContact CA-O 3.2Å; S67-M260 PolarHBondContact N-O 3.24Å; S67-M260 PolarHBondContact O-N 2.98Å; M69-M260 HydrophobicContact CE-CE 3.58Å; M69-M260 HydrophobicContact CE-SD 4.07Å; M69-M260 HydrophobicContact CG-CE 4.08Å; M69-M260 HydrophobicContact SD-CE 4.16Å; Q222-M260 HydrophobicContact CB-CG 4.3Å; Q222-M260 CarbonylContact O-C 3.45Å; Q222-M260 VanDerWaalsContact O-CA 3.28Å; Q222-M260 WeakPolarHBondContact O-CA 3.42Å; A225-M260 HydrophobicContact CB-CB 3.87Å; A225-M260 HydrophobicContact CB-CG 3.72Å; A225-M260 HydrophobicContact CB-SD 3.64Å; M227-M260 HydrophobicContact SD-SD 4.2Å; V231-M260 HydrophobicContact CG1-SD 4.33Å; V231-M260 HydrophobicContact CG2-SD 3.87Å; M260-T263 HydrophobicContact CB-CG2 4.44Å; M260-T263 WeakPolarHBondContact CB-OG1 3.48Å; M260-T263 HydrophobicContact CE-CG2 4.21Å; M260-T263 HydrophobicContact SD-CG2 4.16Å
261	G	98.4	Very high	98.1	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-103.6	174.5	0	0	0	0	0	110.7	F65 G66 Q222 T263	F65-G261 WeakPolarHBondContact CA-O 3.28Å; G66-G261 PolarHBondContact N-O 3.36Å; Q222-G261 PolarHBondContact O-N 2.73Å; G261-T263 PolarHBondContact O-N 2.87Å; G261-T263 VanDerWaalsContact O-N 3.11Å; G261-T263 PolarHBondContact O-OG1 2.93Å
262	D	97.9	Very high	98.1	Very high	35 Å²	35	28.9 Å²	28.9	19%	0.187	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	103.1	171.4	-171.6	-50.1	0	0	0	109.1	R53 R223 S224 A225 H264	R53-D262 IonicContact CZ-OD2 3.79Å; R53-D262 IonicContact NH1-OD2 2.74Å; R53-D262 PolarHBondContact NH1-OD2 3.49Å; R223-D262 PolarHBondContact O-N 2.82Å; S224-D262 CarbonylContact C-O 3.57Å; S224-D262 WeakPolarHBondContact CA-O 3.46Å; A225-D262 PolarHBondContact N-O 2.72Å; D262-H264 PolarHBondContact O-ND1 2.73Å; D262-H264 IonicContact OD1-CE1 3.64Å; D262-H264 IonicContact OD1-CG 2.84Å; D262-H264 IonicContact OD1-ND1 3.69Å; D262-H264 PolarHBondContact OD1-ND1 3.49Å
263	T	98.4	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.6	-176.8	-48.2	0	0	0	0	108.5	L42 I46 S63 V64 A225 M227 M260 G261	L42-T263 HydrophobicContact CD2-CG2 4.09Å; L42-T263 HydrophobicContact CG-CG2 4.48Å; I46-T263 HydrophobicContact CD1-CG2 3.71Å; S63-T263 WeakPolarHBondContact CA-O 3.21Å; V64-T263 PolarHBondContact N-O 3.23Å; V64-T263 PolarHBondContact O-N 3.29Å; A225-T263 HydrophobicContact CB-CG2 4.27Å; M227-T263 HydrophobicContact CG-CG2 3.7Å; M227-T263 HydrophobicContact SD-CG2 3.49Å; M227-T263 WeakPolarHBondContact SD-CG2 3.46Å; M260-T263 HydrophobicContact CB-CG2 4.44Å; M260-T263 WeakPolarHBondContact CB-OG1 3.48Å; M260-T263 HydrophobicContact CE-CG2 4.21Å; M260-T263 HydrophobicContact SD-CG2 4.16Å; G261-T263 PolarHBondContact O-N 2.87Å; G261-T263 VanDerWaalsContact O-N 3.11Å; G261-T263 PolarHBondContact O-OG1 2.93Å
264	H	98.2	Very high	98.1	Very high	10 Å²	10	24.8 Å²	24.8	5%	0.046	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	158.6	-164.9	57.3	-95.6	0	0	0	114.3	T61 L62 S224 A225 D226 M227 D262 Y266	T61-H264 HydrophobicContact CG2-CB 4.28Å; L62-H264 CarbonylContact O-C 3.54Å; L62-H264 WeakPolarHBondContact O-CA 3.39Å; L62-H264 WeakPolarHBondContact O-CB 3.36Å; S224-H264 PolarHBondContact OG-CE1 2.96Å; A225-H264 PolarHBondContact O-N 3.43Å; D226-H264 WeakPolarHBondContact CA-NE2 3.42Å; M227-H264 WeakPolarHBondContact CB-O 3.49Å; M227-H264 WeakPolarHBondContact CG-O 3.49Å; M227-H264 PolarHBondContact N-O 3.3Å; D262-H264 PolarHBondContact O-ND1 2.73Å; D262-H264 IonicContact OD1-CE1 3.64Å; D262-H264 IonicContact OD1-CG 2.84Å; D262-H264 IonicContact OD1-ND1 3.69Å; D262-H264 PolarHBondContact OD1-ND1 3.49Å; H264-Y266 AromaticContact NE2-CE2 3.97Å
265	V	98.2	Very high	98	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.8	168.8	167.7	0	0	0	0	107.3	L43 I46 I47 T61 L62 M227 H269 V270 L273	L43-V265 HydrophobicContact CD2-CG2 3.72Å; I46-V265 HydrophobicContact CB-CG2 4.35Å; I46-V265 HydrophobicContact CG2-CB 4.03Å; I46-V265 HydrophobicContact CG2-CG2 3.79Å; I47-V265 HydrophobicContact CG1-CG1 4.48Å; I47-V265 HydrophobicContact CG1-CG2 4.45Å; T61-V265 CarbonylContact C-O 3.58Å; T61-V265 VanDerWaalsContact CA-O 3.28Å; T61-V265 WeakPolarHBondContact CA-O 3.46Å; L62-V265 PolarHBondContact N-O 3.4Å; L62-V265 PolarHBondContact O-N 3.34Å; M227-V265 HydrophobicContact CB-CG2 4Å; V265-H269 HydrophobicContact CG1-CB 4.38Å; V265-V270 HydrophobicContact CG1-CG2 3.89Å; V265-L273 HydrophobicContact CB-CD1 4.26Å; V265-L273 HydrophobicContact CG1-CD1 3.49Å; V265-L273 VanDerWaalsContact CG1-CD1 3.49Å; V265-L273 HydrophobicContact CG2-CD1 3.82Å
266	Y	97.5	Very high	98	Very high	23 Å²	23	28.4 Å²	28.4	9%	0.09	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	142.2	170.4	-79	-76.3	0	0	0	110.8	D55 V59 T61 D226 H264 N268 H269 V270 A320	D55-Y266 PolarHBondContact OD2-OH 2.9Å; V59-Y266 HydrophobicContact CB-CD1 3.96Å; V59-Y266 HydrophobicContact CB-CE1 4.41Å; V59-Y266 HydrophobicContact CG1-CD1 3.83Å; V59-Y266 HydrophobicContact CG1-CG 4.46Å; T61-Y266 HydrophobicContact CG2-CD1 3.65Å; T61-Y266 HydrophobicContact CG2-CE1 3.75Å; T61-Y266 HydrophobicContact CG2-CG 4.23Å; D226-Y266 HydrophobicContact CB-CE2 4.23Å; H264-Y266 AromaticContact NE2-CE2 3.97Å; Y266-N268 WeakPolarHBondContact CB-OD1 3.49Å; Y266-N268 PolarHBondContact O-N 3.02Å; Y266-H269 WeakPolarHBondContact O-CA 3.48Å; Y266-H269 WeakPolarHBondContact O-CB 3.25Å; Y266-H269 PolarHBondContact O-N 3.22Å; Y266-V270 PolarHBondContact O-N 2.67Å; Y266-A320 HydrophobicContact CD1-CB 3.93Å; Y266-A320 HydrophobicContact CD2-CB 4.38Å; Y266-A320 HydrophobicContact CE1-CB 3.54Å; Y266-A320 HydrophobicContact CE2-CB 4.03Å; Y266-A320 HydrophobicContact CG-CB 4.33Å
267	L	96.9	Very high	98	Very high	59 Å²	59	29.4 Å²	29.4	31%	0.309	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-59.3	-35.8	-175.9	-70.2	176.1	0	0	0	112.4	Q52 G60 L62 H269 V270	Q52-L267 HydrophobicContact CG-CD1 4.43Å; G60-L267 WeakPolarHBondContact O-CG 3.42Å; G60-L267 PolarHBondContact O-N 2.86Å; L62-L267 HydrophobicContact CD2-CD2 4.05Å; L62-L267 HydrophobicContact CG-CD2 3.89Å; L267-H269 PolarHBondContact O-N 2.74Å; L267-V270 WeakPolarHBondContact O-CG2 3.4Å; L267-V270 PolarHBondContact O-N 2.92Å
268	N	95.9	Very high	97.9	Very high	72 Å²	72	36.8 Å²	36.8	39%	0.385	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-72.1	-7.7	175.2	68.6	-24.8	0	0	0	114.1	V59 Y266	V59-N268 HydrophobicContact CG1-CB 4.23Å; V59-N268 WeakPolarHBondContact CG1-OD1 3.46Å; Y266-N268 WeakPolarHBondContact CB-OD1 3.49Å; Y266-N268 PolarHBondContact O-N 3.02Å
269	H	97.7	Very high	97.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-100.6	-6.6	175.4	-63.1	171.3	0	0	0	113.3	D226 V265 Y266 L267 E271 P272 L273 M317 D318	D226-H269 IonicContact OD1-ND1 3.84Å; V265-H269 HydrophobicContact CG1-CB 4.38Å; Y266-H269 WeakPolarHBondContact O-CA 3.48Å; Y266-H269 WeakPolarHBondContact O-CB 3.25Å; Y266-H269 PolarHBondContact O-N 3.22Å; L267-H269 PolarHBondContact O-N 2.74Å; H269-E271 PolarHBondContact O-N 3.27Å; H269-P272 WeakPolarHBondContact O-CD 3.49Å; H269-L273 HydrophobicContact CB-CD1 3.83Å; H269-L273 HydrophobicContact CB-CG 4.32Å; H269-L273 VanDerWaalsContact O-CB 3.26Å; H269-L273 WeakPolarHBondContact O-CB 3.37Å; H269-L273 WeakPolarHBondContact O-CD1 3.29Å; H269-L273 WeakPolarHBondContact O-CG 3.5Å; H269-L273 PolarHBondContact O-N 2.76Å; H269-M317 HydrophobicContact CB-CG 4.4Å; H269-M317 HydrophobicContact CB-SD 4.06Å; H269-D318 PolarHBondContact CE1-O 3.38Å; H269-D318 PolarHBondContact NE2-O 3.41Å
270	V	97.6	Very high	97.7	Very high	18 Å²	18	42 Å²	42	11%	0.109	21%	0.21	C	C	.	.	H	α-helix	trans	-57.8	-49.9	-176.7	173.1	0	0	0	0	111.9	I47 L62 V265 Y266 L267 L273 K274	I47-V270 HydrophobicContact CG2-CG1 4.22Å; L62-V270 HydrophobicContact CD1-CG2 4.09Å; V265-V270 HydrophobicContact CG1-CG2 3.89Å; Y266-V270 PolarHBondContact O-N 2.67Å; L267-V270 WeakPolarHBondContact O-CG2 3.4Å; L267-V270 PolarHBondContact O-N 2.92Å; V270-L273 PolarHBondContact O-N 2.8Å; V270-K274 HydrophobicContact CG1-CD 4.42Å; V270-K274 WeakPolarHBondContact O-CG 3.37Å; V270-K274 PolarHBondContact O-N 2.8Å
271	E	97.6	Very high	97.7	Very high	123 Å²	123	42.8 Å²	42.8	58%	0.575	22%	0.215	S	C	*	.	H	α-helix	trans	-67.5	-47.3	-179.8	-63.7	-55.8	125.5	0	0	112.8	H269 L273 K274 E275	H269-E271 PolarHBondContact O-N 3.27Å; E271-L273 PolarHBondContact O-N 3.28Å; E271-K274 PolarHBondContact O-N 3.07Å; E271-K274 IonicContact OE1-NZ 3.07Å; E271-K274 PolarHBondContact OE1-NZ 3.04Å; E271-E275 PolarHBondContact O-N 2.98Å; E271-E275 VanDerWaalsContact O-N 3.11Å
272	P	98	Very high	97.6	Very high	29 Å²	29	46.4 Å²	46.4	19%	0.188	23%	0.228	C	C	.	.	H	α-helix	trans	-54.2	-37.5	170.4	-28.4	33.9	0	0	0	114.2	H269 E275 Q276 I315 M317	H269-P272 WeakPolarHBondContact O-CD 3.49Å; P272-E275 WeakPolarHBondContact O-CB 3.41Å; P272-E275 PolarHBondContact O-N 3.24Å; P272-Q276 PolarHBondContact O-N 2.74Å; P272-Q276 VanDerWaalsContact O-N 3.14Å; P272-I315 HydrophobicContact CB-CG2 3.62Å; P272-M317 HydrophobicContact CB-CG 3.61Å; P272-M317 HydrophobicContact CB-SD 4.13Å; P272-M317 HydrophobicContact CG-CG 4.05Å
273	L	98.4	Very high	97.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-76.6	-32.1	179.4	-70.4	168.1	0	0	0	112.5	L43 I47 V265 H269 V270 E271 E275 Q276 L277 M317	L43-L273 HydrophobicContact CD1-CD2 3.92Å; L43-L273 HydrophobicContact CD2-CD1 3.91Å; L43-L273 HydrophobicContact CD2-CD2 4.11Å; L43-L273 HydrophobicContact CD2-CG 4.48Å; I47-L273 HydrophobicContact CD1-CB 4.03Å; V265-L273 HydrophobicContact CB-CD1 4.26Å; V265-L273 HydrophobicContact CG1-CD1 3.49Å; V265-L273 VanDerWaalsContact CG1-CD1 3.49Å; V265-L273 HydrophobicContact CG2-CD1 3.82Å; H269-L273 HydrophobicContact CB-CD1 3.83Å; H269-L273 HydrophobicContact CB-CG 4.32Å; H269-L273 VanDerWaalsContact O-CB 3.26Å; H269-L273 WeakPolarHBondContact O-CB 3.37Å; H269-L273 WeakPolarHBondContact O-CD1 3.29Å; H269-L273 WeakPolarHBondContact O-CG 3.5Å; H269-L273 PolarHBondContact O-N 2.76Å; V270-L273 PolarHBondContact O-N 2.8Å; E271-L273 PolarHBondContact O-N 3.28Å; L273-E275 VanDerWaalsContact C-N 3.31Å; L273-E275 PolarHBondContact O-N 3.1Å; L273-Q276 WeakPolarHBondContact O-CA 3.43Å; L273-Q276 WeakPolarHBondContact O-CB 3.29Å; L273-Q276 PolarHBondContact O-N 2.95Å; L273-Q276 VanDerWaalsContact O-N 3.13Å; L273-L277 VanDerWaalsContact O-CG 3.26Å; L273-L277 WeakPolarHBondContact O-CG 3.35Å; L273-L277 PolarHBondContact O-N 3.42Å; L273-M317 HydrophobicContact CD2-SD 4.08Å; L273-M317 HydrophobicContact CG-SD 4.11Å
274	K	98.1	Very high	97.6	Very high	88 Å²	88	49.8 Å²	49.8	38%	0.383	25%	0.25	S	S	.	.	H	α-helix	trans	-59.8	-42.6	168.2	-75.2	174.9	-176.6	167.3	0	111.1	V270 E271 Q276 L277 E278	V270-K274 HydrophobicContact CG1-CD 4.42Å; V270-K274 WeakPolarHBondContact O-CG 3.37Å; V270-K274 PolarHBondContact O-N 2.8Å; E271-K274 PolarHBondContact O-N 3.07Å; E271-K274 IonicContact OE1-NZ 3.07Å; E271-K274 PolarHBondContact OE1-NZ 3.04Å; K274-Q276 VanDerWaalsContact C-N 3.27Å; K274-Q276 PolarHBondContact O-N 3.26Å; K274-L277 WeakPolarHBondContact O-CB 3.44Å; K274-L277 PolarHBondContact O-N 3.43Å; K274-L277 VanDerWaalsContact O-N 3.08Å; K274-E278 PolarHBondContact O-N 3.37Å
275	E	98	Very high	97.6	Very high	100 Å²	100	49.3 Å²	49.3	47%	0.467	25%	0.248	S	C	.	.	H	α-helix	trans	-58	-41.2	172.5	-169.3	-159.5	140.4	0	0	111.7	E271 P272 L273 L277 E278 R279	E271-E275 PolarHBondContact O-N 2.98Å; E271-E275 VanDerWaalsContact O-N 3.11Å; P272-E275 WeakPolarHBondContact O-CB 3.41Å; P272-E275 PolarHBondContact O-N 3.24Å; L273-E275 VanDerWaalsContact C-N 3.31Å; L273-E275 PolarHBondContact O-N 3.1Å; E275-L277 VanDerWaalsContact C-N 3.33Å; E275-L277 PolarHBondContact O-N 3.48Å; E275-E278 PolarHBondContact O-N 3.22Å; E275-R279 IonicContact OE1-CZ 2.94Å; E275-R279 IonicContact OE1-NE 3.97Å; E275-R279 IonicContact OE1-NH2 2.92Å; E275-R279 PolarHBondContact OE1-NH2 3.16Å
276	Q	98.4	Very high	97.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-40.8	175.2	-165.2	177.6	-13.8	0	0	112.2	T82 K83 P272 L273 K274 E278 R279 I315	T82-Q276 PolarHBondContact OG1-NE2 2.91Å; K83-Q276 VanDerWaalsContact NZ-OE1 3.15Å; P272-Q276 PolarHBondContact O-N 2.74Å; P272-Q276 VanDerWaalsContact O-N 3.14Å; L273-Q276 WeakPolarHBondContact O-CA 3.43Å; L273-Q276 WeakPolarHBondContact O-CB 3.29Å; L273-Q276 PolarHBondContact O-N 2.95Å; L273-Q276 VanDerWaalsContact O-N 3.13Å; K274-Q276 VanDerWaalsContact C-N 3.27Å; K274-Q276 PolarHBondContact O-N 3.26Å; Q276-E278 VanDerWaalsContact C-N 3.25Å; Q276-E278 PolarHBondContact O-N 3.3Å; Q276-R279 WeakPolarHBondContact O-CB 3.46Å; Q276-R279 PolarHBondContact O-N 2.99Å; Q276-R279 VanDerWaalsContact O-N 3.08Å; Q276-I315 HydrophobicContact CB-CD1 3.47Å; Q276-I315 VanDerWaalsContact CB-CD1 3.47Å; Q276-I315 HydrophobicContact CG-CD1 3.87Å
277	L	98.2	Very high	97.6	Very high	22 Å²	22	54.9 Å²	54.9	12%	0.115	27%	0.273	C	S	.	.	H	α-helix	trans	-68.2	-20.5	-175.7	-74.1	173.5	0	0	0	114.1	L40 L43 R44 I47 L273 K274 E275 R279	L40-L277 HydrophobicContact CB-CD2 4.05Å; L40-L277 HydrophobicContact CD2-CD2 4.11Å; L40-L277 WeakPolarHBondContact O-CD2 3.49Å; L43-L277 HydrophobicContact CB-CD2 4.02Å; L43-L277 HydrophobicContact CD1-CD2 4.42Å; R44-L277 HydrophobicContact CG-CD1 3.83Å; R44-L277 HydrophobicContact CG-CD2 3.62Å; R44-L277 HydrophobicContact CG-CG 4.29Å; R44-L277 PolarHBondContact NH2-O 3.16Å; I47-L277 HydrophobicContact CD1-CD1 3.9Å; L273-L277 VanDerWaalsContact O-CG 3.26Å; L273-L277 WeakPolarHBondContact O-CG 3.35Å; L273-L277 PolarHBondContact O-N 3.42Å; K274-L277 WeakPolarHBondContact O-CB 3.44Å; K274-L277 PolarHBondContact O-N 3.43Å; K274-L277 VanDerWaalsContact O-N 3.08Å; E275-L277 VanDerWaalsContact C-N 3.33Å; E275-L277 PolarHBondContact O-N 3.48Å; L277-R279 VanDerWaalsContact C-N 3.3Å
278	E	97.4	Very high	97.7	Very high	164 Å²	164	55.7 Å²	55.7	77%	0.766	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-13.5	172.7	-62.4	-52.9	148.9	0	0	113.3	K274 E275 Q276	K274-E278 PolarHBondContact O-N 3.37Å; E275-E278 PolarHBondContact O-N 3.22Å; Q276-E278 VanDerWaalsContact C-N 3.25Å; Q276-E278 PolarHBondContact O-N 3.3Å
279	R	97.2	Very high	97.8	Very high	31 Å²	31	54 Å²	54	12%	0.117	27%	0.268	C	S	.	.	S	Bend	trans	-86.4	127.3	-177.4	-61.9	170	179.5	-165.6	-1.6	110.2	T82 E275 Q276 L277 P281 P313	T82-R279 HydrophobicContact CG2-CB 4.05Å; T82-R279 VanDerWaalsContact CG2-O 3.3Å; T82-R279 WeakPolarHBondContact CG2-O 3.37Å; T82-R279 WeakPolarHBondContact O-CD 3.47Å; T82-R279 PolarHBondContact O-NH1 3.39Å; E275-R279 IonicContact OE1-CZ 2.94Å; E275-R279 IonicContact OE1-NE 3.97Å; E275-R279 IonicContact OE1-NH2 2.92Å; E275-R279 PolarHBondContact OE1-NH2 3.16Å; Q276-R279 WeakPolarHBondContact O-CB 3.46Å; Q276-R279 PolarHBondContact O-N 2.99Å; Q276-R279 VanDerWaalsContact O-N 3.08Å; L277-R279 VanDerWaalsContact C-N 3.3Å; R279-P281 WeakPolarHBondContact O-CD 3.48Å; R279-P313 PolarHBondContact NH1-O 2.85Å
280	T	96.1	Very high	97.8	Very high	104 Å²	104	59.6 Å²	59.6	64%	0.638	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-68.9	126.6	170.7	-48	0	0	0	0	110.2	H312	T280-H312 PolarHBondContact O-NE2 3.37Å
281	P	97.5	Very high	97.8	Very high	17 Å²	17	63.3 Å²	63.3	11%	0.11	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-54.7	140.6	171.8	-28.6	36.7	0	0	0	112.5	N33 E36 M37 L40 T82 R279	N33-P281 HydrophobicContact CB-CB 3.82Å; E36-P281 HydrophobicContact CB-CB 4.15Å; E36-P281 HydrophobicContact CB-CG 4.42Å; E36-P281 HydrophobicContact CG-CB 4.13Å; E36-P281 HydrophobicContact CG-CG 4.17Å; M37-P281 HydrophobicContact SD-CG 3.97Å; L40-P281 HydrophobicContact CD1-CG 3.46Å; L40-P281 VanDerWaalsContact CD1-CG 3.46Å; T82-P281 HydrophobicContact CG2-CB 4.36Å; T82-P281 HydrophobicContact CG2-CG 3.95Å; R279-P281 WeakPolarHBondContact O-CD 3.48Å
282	R	97.2	Very high	97.8	Very high	78 Å²	78	63.3 Å²	63.3	29%	0.294	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-100.2	165.2	170.6	-64.1	170.7	-178.6	178.9	2.8	109.1	N33 T81 F284 N310 P311	N33-R282 PolarHBondContact ND2-O 2.8Å; T81-R282 HydrophobicContact CG2-CB 4.29Å; T81-R282 PolarHBondContact OG1-N 2.96Å; T81-R282 PolarHBondContact OG1-O 2.73Å; R282-F284 PolarHBondContact O-N 3.45Å; R282-N310 WeakPolarHBondContact CD-O 3.28Å; R282-N310 PolarHBondContact NH1-O 3.44Å; R282-N310 PolarHBondContact NH1-OD1 3.18Å; R282-P311 PolarHBondContact NH1-O 3.14Å
283	P	96.9	Very high	97.8	Very high	88 Å²	88	62 Å²	62	57%	0.571	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-54.4	136.9	173.2	-26	35.6	0	0	0	111.1
284	F	98.1	Very high	97.6	Very high	19 Å²	19	68.1 Å²	68.1	8%	0.083	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-60.4	149.5	172	-80	-34.9	0	0	0	111.5	N33 D35 E36 F71 F77 P78 L79 L80 T81 R282	N33-F284 VanDerWaalsContact ND2-CD1 3.29Å; N33-F284 WeakPolarHBondContact ND2-CD1 3.43Å; N33-F284 WeakPolarHBondContact ND2-CD2 3.35Å; N33-F284 WeakPolarHBondContact ND2-CE1 3.41Å; N33-F284 VanDerWaalsContact ND2-CG 3.31Å; N33-F284 WeakPolarHBondContact ND2-CG 3.35Å; N33-F284 WeakPolarHBondContact OD1-CE2 3.47Å; D35-F284 HydrophobicContact CB-CD2 4.43Å; D35-F284 HydrophobicContact CB-CE2 3.64Å; D35-F284 HydrophobicContact CB-CZ 4.48Å; E36-F284 HydrophobicContact CB-CE1 3.92Å; E36-F284 HydrophobicContact CB-CE2 4.45Å; E36-F284 HydrophobicContact CB-CZ 3.62Å; E36-F284 HydrophobicContact CG-CE1 4.38Å; E36-F284 HydrophobicContact CG-CZ 4.41Å; E36-F284 WeakPolarHBondContact OE2-CE1 3.39Å; F71-F284 HydrophobicContact CD1-CE2 4.27Å; F71-F284 HydrophobicContact CD1-CZ 4.44Å; F77-F284 WeakPolarHBondContact O-CB 3.42Å; P78-F284 HydrophobicContact CB-CD2 4.45Å; P78-F284 HydrophobicContact CB-CE2 4.02Å; P78-F284 HydrophobicContact CB-CZ 4.28Å; L79-F284 VanDerWaalsContact O-CD1 3.23Å; L79-F284 WeakPolarHBondContact O-CD1 3.29Å; L79-F284 WeakPolarHBondContact O-CE1 3.34Å; L80-F284 HydrophobicContact CD2-CE1 4.46Å; T81-F284 HydrophobicContact CG2-CD1 4.04Å; R282-F284 PolarHBondContact O-N 3.45Å
285	P	98.3	Very high	97.6	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.321	C	S	.	.			trans	-70.9	177.7	174.3	33.3	-37.1	0	0	0	111.8	S76 F77 L79 I306 V307 Y309	S76-P285 CarbonylContact C-O 3.53Å; S76-P285 WeakPolarHBondContact CA-O 3.46Å; F77-P285 PolarHBondContact N-O 2.92Å; F77-P285 WeakPolarHBondContact O-CD 3.36Å; L79-P285 HydrophobicContact CB-CG 3.84Å; L79-P285 HydrophobicContact CD2-CG 4.2Å; P285-I306 HydrophobicContact CB-CG2 3.67Å; P285-I306 HydrophobicContact CG-CG2 3.95Å; P285-V307 CarbonylContact C-O 3.59Å; P285-V307 VanDerWaalsContact CA-O 3.28Å; P285-V307 WeakPolarHBondContact CA-O 3.21Å; P285-V307 WeakPolarHBondContact CB-O 3.41Å; P285-Y309 HydrophobicContact CB-CD2 4.15Å; P285-Y309 HydrophobicContact CB-CG 4.36Å; P285-Y309 HydrophobicContact CG-CD2 3.73Å; P285-Y309 HydrophobicContact CG-CG 4.25Å
286	K	98.3	Very high	97.6	Very high	115 Å²	115	62 Å²	62	50%	0.5	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	146.1	167.2	-64.7	177.2	-178.6	174.1	0	110.4	I306 V307	K286-I306 CarbonylContact O-C 3.55Å; K286-I306 WeakPolarHBondContact O-CA 3.31Å; K286-V307 HydrophobicContact CB-CB 4.45Å; K286-V307 PolarHBondContact N-O 2.73Å; K286-V307 PolarHBondContact O-N 2.81Å
287	L	98.6	Very high	97.6	Very high	24 Å²	24	65.2 Å²	65.2	13%	0.126	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.6	166.5	175.2	68	0	0	0	109	F77 F87 L240 H243 F304 I306	F77-L287 HydrophobicContact CB-CB 3.82Å; F77-L287 HydrophobicContact CD2-CB 3.73Å; F77-L287 HydrophobicContact CD2-CD2 3.8Å; F77-L287 HydrophobicContact CD2-CG 4.37Å; F77-L287 HydrophobicContact CE2-CB 4.46Å; F77-L287 HydrophobicContact CE2-CD2 3.79Å; F77-L287 HydrophobicContact CG-CB 3.77Å; F87-L287 HydrophobicContact CZ-CD1 4.05Å; L240-L287 HydrophobicContact CD1-CD1 4.4Å; L240-L287 HydrophobicContact CD1-CD2 3.5Å; H243-L287 HydrophobicContact CB-CD2 3.97Å; L287-F304 HydrophobicContact CD1-CB 4.08Å; L287-F304 HydrophobicContact CD1-CD1 4.44Å; L287-I306 HydrophobicContact CB-CD1 4.23Å; L287-I306 HydrophobicContact CD1-CD1 3.73Å
288	I	98.2	Very high	97.6	Very high	77 Å²	77	67.7 Å²	67.7	40%	0.395	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.2	171.2	-58.2	-178.5	0	0	0	108.1	K290 Q305 V307	I288-K290 HydrophobicContact CG2-CG 4.36Å; I288-Q305 HydrophobicContact CB-CB 4.32Å; I288-Q305 PolarHBondContact N-O 3.24Å; I288-Q305 PolarHBondContact O-N 3.06Å; I288-V307 HydrophobicContact CD1-CG2 3.59Å; I288-V307 HydrophobicContact CG1-CG2 4.06Å
289	I	98.4	Very high	97.6	Very high	36 Å²	36	60.3 Å²	60.3	19%	0.185	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	110.3	165.4	-65.6	173.3	0	0	0	107.1	H243 H247 R291 F299 D303 F304	H243-I289 HydrophobicContact CB-CD1 4.35Å; H247-I289 HydrophobicContact CB-CD1 3.84Å; I289-R291 WeakPolarHBondContact CG2-O 3.48Å; I289-F299 HydrophobicContact CD1-CE1 4.13Å; I289-F299 HydrophobicContact CD1-CZ 4.15Å; I289-F299 HydrophobicContact CG1-CE1 4.45Å; I289-F299 HydrophobicContact CG2-CE1 3.69Å; I289-F299 HydrophobicContact CG2-CZ 4.41Å; I289-D303 CarbonylContact C-O 3.59Å; I289-D303 WeakPolarHBondContact CA-O 3.2Å; I289-F304 HydrophobicContact CG1-CD1 4.21Å; I289-F304 HydrophobicContact CG1-CE1 4.33Å
290	K	98.1	Very high	97.7	Very high	119 Å²	119	66.8 Å²	66.8	52%	0.517	32%	0.317	S	S	.	.			trans	-77.1	-29.7	-170.3	-69.8	-177.1	-69.8	171.5	0	113.8	I288 E302 D303 Q305	I288-K290 HydrophobicContact CG2-CG 4.36Å; K290-E302 WeakPolarHBondContact CE-O 3.34Å; K290-E302 PolarHBondContact NZ-O 3.02Å; K290-D303 PolarHBondContact N-O 2.84Å; K290-Q305 HydrophobicContact CD-CB 4.04Å; K290-Q305 HydrophobicContact CG-CB 4.18Å
291	R	97.8	Very high	97.8	Very high	96 Å²	96	64 Å²	64	36%	0.362	30%	0.296	S	S	.	.	S	Bend	trans	-117.2	136.3	-173.7	-174.5	171.7	59.8	95.9	0.2	110.5	I289 V293 D298 D303	I289-R291 WeakPolarHBondContact CG2-O 3.48Å; R291-V293 VanDerWaalsContact CZ-CG1 3.42Å; R291-V293 PolarHBondContact O-N 3.44Å; R291-D298 PolarHBondContact NH2-O 2.96Å; R291-D303 VanDerWaalsContact CB-OD1 3.27Å; R291-D303 WeakPolarHBondContact CB-OD1 3.35Å; R291-D303 IonicContact CZ-OD1 3.6Å; R291-D303 IonicContact CZ-OD2 3.53Å; R291-D303 IonicContact NE-OD1 3.85Å; R291-D303 PolarHBondContact NE-OD1 2.91Å; R291-D303 IonicContact NE-OD2 3.59Å; R291-D303 IonicContact NH2-OD1 2.67Å; R291-D303 PolarHBondContact NH2-OD1 2.8Å; R291-D303 IonicContact NH2-OD2 2.8Å; R291-D303 PolarHBondContact NH2-OD2 2.86Å
292	Q	96.8	Very high	97.8	Very high	122 Å²	122	68.7 Å²	68.7	57%	0.57	32%	0.317	S	S	*	.			trans	-71.8	114.9	167.3	-170.7	62.7	34.5	0	0	109.5	H247	H247-Q292 PolarHBondContact CE1-OE1 3.14Å; H247-Q292 PolarHBondContact NE2-NE2 3.37Å; H247-Q292 VanDerWaalsContact NE2-NE2 3.12Å; H247-Q292 PolarHBondContact NE2-OE1 3.18Å
293	V	96.9	Very high	97.9	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.012	31%	0.306	C	S	.	.			trans	-104.8	155.7	168	-66.8	0	0	0	0	110.9	H247 V248 R291 D298 F299	H247-V293 PolarHBondContact NE2-N 3.42Å; V248-V293 HydrophobicContact CG1-CG2 4.03Å; R291-V293 VanDerWaalsContact CZ-CG1 3.42Å; R291-V293 PolarHBondContact O-N 3.44Å; V293-D298 HydrophobicContact CB-CB 4.01Å; V293-D298 HydrophobicContact CG1-CB 3.9Å; V293-F299 HydrophobicContact CG1-CD1 4.31Å; V293-F299 HydrophobicContact CG1-CE1 4.49Å; V293-F299 HydrophobicContact CG2-CD1 3.86Å; V293-F299 HydrophobicContact CG2-CD2 3.84Å; V293-F299 HydrophobicContact CG2-CE1 3.42Å; V293-F299 VanDerWaalsContact CG2-CE1 3.42Å; V293-F299 HydrophobicContact CG2-CE2 3.42Å; V293-F299 VanDerWaalsContact CG2-CE2 3.42Å; V293-F299 HydrophobicContact CG2-CG 4.06Å; V293-F299 HydrophobicContact CG2-CZ 3.19Å
294	Q	95.8	Very high	97.9	Very high	128 Å²	128	61.9 Å²	61.9	60%	0.598	28%	0.281	S	S	*	.	S	Bend	trans	-101.4	-40.6	178.6	-61.3	-59.7	-32.4	0	0	111.5	R175	R175-Q294 PolarHBondContact NH2-O 3.23Å
295	D	97.6	Very high	98	Very high	58 Å²	58	65.2 Å²	65.2	31%	0.31	30%	0.297	S	S	.	.	S	Bend	trans	-110.8	150.6	178.1	-76.7	-72.6	0	0	0	111.6	R168 E297 D298	R168-D295 IonicContact CZ-OD1 3.41Å; R168-D295 IonicContact NH1-OD1 3.67Å; R168-D295 PolarHBondContact NH1-OD1 2.89Å; R168-D295 IonicContact NH2-OD1 3.22Å; R168-D295 PolarHBondContact NH2-OD1 3.44Å; D295-E297 PolarHBondContact O-N 3.42Å; D295-D298 PolarHBondContact N-OD2 2.9Å; D295-D298 WeakPolarHBondContact O-CB 3.39Å; D295-D298 PolarHBondContact O-N 2.86Å; D295-D298 VanDerWaalsContact O-N 3.17Å
296	I	98.3	Very high	98	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.005	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-69.1	-24.2	-175.5	-165.4	163.6	0	0	0	112	V98 L167 I171 L241 M244 I245 D298 F299	V98-I296 HydrophobicContact CG1-CG1 4.1Å; V98-I296 HydrophobicContact CG1-CG2 4.1Å; L167-I296 HydrophobicContact CD1-CD1 4.08Å; L167-I296 HydrophobicContact CD2-CD1 4.23Å; L167-I296 HydrophobicContact CD2-CG2 3.99Å; L167-I296 HydrophobicContact CG-CD1 4.46Å; L167-I296 HydrophobicContact CG-CG2 4.39Å; I171-I296 HydrophobicContact CD1-CB 3.85Å; I171-I296 HydrophobicContact CD1-CD1 3.93Å; I171-I296 HydrophobicContact CD1-CG2 3.6Å; L241-I296 HydrophobicContact CD1-CD1 4.29Å; M244-I296 HydrophobicContact CB-CD1 4.33Å; M244-I296 HydrophobicContact CB-CG1 4.39Å; M244-I296 HydrophobicContact CE-CG1 3.91Å; I245-I296 HydrophobicContact CG1-CD1 3.68Å; I296-D298 VanDerWaalsContact C-N 3.3Å; I296-F299 HydrophobicContact CG1-CD2 4.35Å; I296-F299 WeakPolarHBondContact O-CD2 3.28Å
297	E	97.4	Very high	98	Very high	68 Å²	68	63.4 Å²	63.4	32%	0.318	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-76.1	-16.7	176.8	-57.8	89.6	160.2	0	0	113	R146 R168 D295 F299	R146-E297 IonicContact CZ-OE1 2.86Å; R146-E297 VanDerWaalsContact CZ-OE1 3.27Å; R146-E297 IonicContact NH1-OE1 3.23Å; R146-E297 PolarHBondContact NH1-OE1 2.92Å; R146-E297 IonicContact NH2-OE1 3.27Å; R146-E297 PolarHBondContact NH2-OE1 3.11Å; R168-E297 IonicContact CZ-OE1 3.5Å; R168-E297 VanDerWaalsContact NH2-CD 3.3Å; R168-E297 IonicContact NH2-OE1 2.64Å; R168-E297 PolarHBondContact NH2-OE1 2.78Å; R168-E297 IonicContact NH2-OE2 2.82Å; R168-E297 PolarHBondContact NH2-OE2 3.43Å; D295-E297 PolarHBondContact O-N 3.42Å; E297-F299 VanDerWaalsContact C-N 3.26Å; E297-F299 PolarHBondContact O-N 2.96Å
298	D	98	Very high	97.9	Very high	74 Å²	74	68.1 Å²	68.1	40%	0.396	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-77	-14.5	-178.7	-70.4	-27.2	0	0	0	113	R291 V293 D295 I296	R291-D298 PolarHBondContact NH2-O 2.96Å; V293-D298 HydrophobicContact CB-CB 4.01Å; V293-D298 HydrophobicContact CG1-CB 3.9Å; D295-D298 PolarHBondContact N-OD2 2.9Å; D295-D298 WeakPolarHBondContact O-CB 3.39Å; D295-D298 PolarHBondContact O-N 2.86Å; D295-D298 VanDerWaalsContact O-N 3.17Å; I296-D298 VanDerWaalsContact C-N 3.3Å
299	F	98.6	Very high	97.9	Very high	9 Å²	9	66.5 Å²	66.5	4%	0.039	31%	0.308	C	S	.	.			trans	-62.7	140	179.9	-81.2	-70.7	0	0	0	111.8	L95 M244 H247 V248 I289 V293 I296 E297 D303 F304	L95-F299 HydrophobicContact CD2-CB 3.66Å; M244-F299 HydrophobicContact CB-CD2 4.14Å; M244-F299 HydrophobicContact CB-CE2 3.65Å; M244-F299 HydrophobicContact CB-CZ 4.16Å; M244-F299 HydrophobicContact CE-CB 3.99Å; M244-F299 HydrophobicContact CE-CD2 3.54Å; M244-F299 HydrophobicContact CE-CE2 4.23Å; M244-F299 HydrophobicContact CE-CG 3.96Å; M244-F299 HydrophobicContact CG-CD2 3.98Å; M244-F299 HydrophobicContact CG-CE1 4.5Å; M244-F299 HydrophobicContact CG-CE2 3.79Å; M244-F299 HydrophobicContact CG-CG 4.4Å; M244-F299 HydrophobicContact CG-CZ 4.07Å; H247-F299 HydrophobicContact CB-CZ 4.13Å; H247-F299 AromaticContact CD2-CZ 3.78Å; H247-F299 AromaticContact CG-CZ 3.96Å; V248-F299 HydrophobicContact CG1-CE2 3.91Å; V248-F299 HydrophobicContact CG1-CZ 4.49Å; I289-F299 HydrophobicContact CD1-CE1 4.13Å; I289-F299 HydrophobicContact CD1-CZ 4.15Å; I289-F299 HydrophobicContact CG1-CE1 4.45Å; I289-F299 HydrophobicContact CG2-CE1 3.69Å; I289-F299 HydrophobicContact CG2-CZ 4.41Å; V293-F299 HydrophobicContact CG1-CD1 4.31Å; V293-F299 HydrophobicContact CG1-CE1 4.49Å; V293-F299 HydrophobicContact CG2-CD1 3.86Å; V293-F299 HydrophobicContact CG2-CD2 3.84Å; V293-F299 HydrophobicContact CG2-CE1 3.42Å; V293-F299 VanDerWaalsContact CG2-CE1 3.42Å; V293-F299 HydrophobicContact CG2-CE2 3.42Å; V293-F299 VanDerWaalsContact CG2-CE2 3.42Å; V293-F299 HydrophobicContact CG2-CG 4.06Å; V293-F299 HydrophobicContact CG2-CZ 3.19Å; I296-F299 HydrophobicContact CG1-CD2 4.35Å; I296-F299 WeakPolarHBondContact O-CD2 3.28Å; E297-F299 VanDerWaalsContact C-N 3.26Å; E297-F299 PolarHBondContact O-N 2.96Å; F299-D303 HydrophobicContact CD1-CB 4.25Å; F299-F304 HydrophobicContact CB-CZ 3.99Å; F299-F304 AromaticContact CD1-CE1 3.69Å; F299-F304 HydrophobicContact CD1-CE1 3.69Å; F299-F304 AromaticContact CD1-CZ 3.71Å; F299-F304 HydrophobicContact CD1-CZ 3.71Å; F299-F304 AromaticContact CE1-CE1 3.95Å; F299-F304 HydrophobicContact CE1-CE1 3.95Å; F299-F304 HydrophobicContact CE1-CZ 4.38Å; F299-F304 HydrophobicContact CG-CE1 4.37Å; F299-F304 AromaticContact CG-CZ 3.99Å; F299-F304 HydrophobicContact CG-CZ 3.99Å
300	R	98.1	Very high	97.8	Very high	167 Å²	167	70 Å²	70	63%	0.63	33%	0.327	S	S	*	.			trans	-126.1	159.7	172.3	-55	-178.9	-178.7	-173.7	-0.5	109.5	E302 D303	R300-E302 WeakPolarHBondContact CB-OE2 3.38Å; R300-E302 PolarHBondContact O-N 3.11Å; R300-E302 VanDerWaalsContact O-N 3.16Å; R300-D303 PolarHBondContact N-OD2 3.4Å; R300-D303 WeakPolarHBondContact O-CB 3.47Å; R300-D303 PolarHBondContact O-N 2.91Å
301	F	98.2	Very high	97.8	Very high	46 Å²	46	64.6 Å²	64.6	20%	0.202	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-54.7	-37.7	178	172.3	-107.8	0	0	0	111.7	F87 R88 A91 E92 D303 F304	F87-F301 HydrophobicContact CD1-CE2 4.35Å; F87-F301 HydrophobicContact CE1-CE2 4.43Å; R88-F301 HydrophobicContact CB-CE2 3.8Å; R88-F301 HydrophobicContact CB-CZ 3.83Å; R88-F301 HydrophobicContact CG-CD2 4.17Å; R88-F301 HydrophobicContact CG-CE1 4.15Å; R88-F301 HydrophobicContact CG-CE2 3.78Å; R88-F301 HydrophobicContact CG-CZ 3.76Å; A91-F301 HydrophobicContact CB-CD2 3.86Å; A91-F301 HydrophobicContact CB-CE2 4.3Å; E92-F301 HydrophobicContact CG-CB 4.48Å; E92-F301 WeakPolarHBondContact OE1-CB 3.18Å; F301-D303 PolarHBondContact O-N 2.94Å; F301-D303 VanDerWaalsContact O-N 3.11Å; F301-F304 PolarHBondContact O-N 3.39Å; F301-F304 VanDerWaalsContact O-N 3.09Å
302	E	98.2	Very high	97.8	Very high	115 Å²	115	61.6 Å²	61.6	54%	0.537	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-65.3	-13.1	179.6	-60.3	71.1	-150.8	0	0	113.3	K290 R300 F304	K290-E302 WeakPolarHBondContact CE-O 3.34Å; K290-E302 PolarHBondContact NZ-O 3.02Å; R300-E302 WeakPolarHBondContact CB-OE2 3.38Å; R300-E302 PolarHBondContact O-N 3.11Å; R300-E302 VanDerWaalsContact O-N 3.16Å; E302-F304 VanDerWaalsContact C-N 3.31Å
303	D	98.5	Very high	97.9	Very high	11 Å²	11	59.9 Å²	59.9	6%	0.059	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-79.4	-17.9	176.2	-61	-46.1	0	0	0	112	I289 K290 R291 F299 R300 F301	I289-D303 CarbonylContact C-O 3.59Å; I289-D303 WeakPolarHBondContact CA-O 3.2Å; K290-D303 PolarHBondContact N-O 2.84Å; R291-D303 VanDerWaalsContact CB-OD1 3.27Å; R291-D303 WeakPolarHBondContact CB-OD1 3.35Å; R291-D303 IonicContact CZ-OD1 3.6Å; R291-D303 IonicContact CZ-OD2 3.53Å; R291-D303 IonicContact NE-OD1 3.85Å; R291-D303 PolarHBondContact NE-OD1 2.91Å; R291-D303 IonicContact NE-OD2 3.59Å; R291-D303 IonicContact NH2-OD1 2.67Å; R291-D303 PolarHBondContact NH2-OD1 2.8Å; R291-D303 IonicContact NH2-OD2 2.8Å; R291-D303 PolarHBondContact NH2-OD2 2.86Å; F299-D303 HydrophobicContact CD1-CB 4.25Å; R300-D303 PolarHBondContact N-OD2 3.4Å; R300-D303 WeakPolarHBondContact O-CB 3.47Å; R300-D303 PolarHBondContact O-N 2.91Å; F301-D303 PolarHBondContact O-N 2.94Å; F301-D303 VanDerWaalsContact O-N 3.11Å
304	F	98.6	Very high	97.9	Very high	12 Å²	12	66.9 Å²	66.9	5%	0.053	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127	-177.3	-51	-56.5	0	0	0	111.5	F87 A91 L95 L240 M244 L287 I289 F299 F301 E302	F87-F304 HydrophobicContact CE1-CB 3.94Å; F87-F304 HydrophobicContact CZ-CB 4.12Å; A91-F304 HydrophobicContact CB-CD2 4.13Å; A91-F304 HydrophobicContact CB-CE2 4.48Å; L95-F304 HydrophobicContact CD1-CE2 4.2Å; L95-F304 HydrophobicContact CD2-CE2 4.24Å; L95-F304 HydrophobicContact CD2-CZ 4.41Å; L95-F304 HydrophobicContact CG-CE2 4.38Å; L240-F304 HydrophobicContact CD1-CD1 3.79Å; L240-F304 HydrophobicContact CD1-CE1 3.74Å; L240-F304 HydrophobicContact CD1-CG 4.27Å; L240-F304 HydrophobicContact CD1-CZ 4.16Å; L240-F304 HydrophobicContact CD2-CE2 4.38Å; M244-F304 HydrophobicContact CE-CZ 4.44Å; M244-F304 HydrophobicContact CG-CE1 4.03Å; M244-F304 HydrophobicContact CG-CZ 4.03Å; M244-F304 HydrophobicContact SD-CE1 4.44Å; M244-F304 HydrophobicContact SD-CZ 3.88Å; L287-F304 HydrophobicContact CD1-CB 4.08Å; L287-F304 HydrophobicContact CD1-CD1 4.44Å; I289-F304 HydrophobicContact CG1-CD1 4.21Å; I289-F304 HydrophobicContact CG1-CE1 4.33Å; F299-F304 HydrophobicContact CB-CZ 3.99Å; F299-F304 AromaticContact CD1-CE1 3.69Å; F299-F304 HydrophobicContact CD1-CE1 3.69Å; F299-F304 AromaticContact CD1-CZ 3.71Å; F299-F304 HydrophobicContact CD1-CZ 3.71Å; F299-F304 AromaticContact CE1-CE1 3.95Å; F299-F304 HydrophobicContact CE1-CE1 3.95Å; F299-F304 HydrophobicContact CE1-CZ 4.38Å; F299-F304 HydrophobicContact CG-CE1 4.37Å; F299-F304 AromaticContact CG-CZ 3.99Å; F299-F304 HydrophobicContact CG-CZ 3.99Å; F301-F304 PolarHBondContact O-N 3.39Å; F301-F304 VanDerWaalsContact O-N 3.09Å; E302-F304 VanDerWaalsContact C-N 3.31Å
305	Q	98.5	Very high	97.9	Very high	89 Å²	89	61.8 Å²	61.8	42%	0.416	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.6	172.6	-178.4	-178.3	5.2	0	0	110.1	I288 K290 V307	I288-Q305 HydrophobicContact CB-CB 4.32Å; I288-Q305 PolarHBondContact N-O 3.24Å; I288-Q305 PolarHBondContact O-N 3.06Å; K290-Q305 HydrophobicContact CD-CB 4.04Å; K290-Q305 HydrophobicContact CG-CB 4.18Å; Q305-V307 HydrophobicContact CG-CG2 3.86Å
306	I	98.5	Very high	97.7	Very high	42 Å²	42	65.2 Å²	65.2	22%	0.215	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	123.1	169.8	-61.5	-62.2	0	0	0	108.5	F77 L79 F87 P285 K286 L287 Y309	F77-I306 HydrophobicContact CD1-CD1 3.81Å; F77-I306 HydrophobicContact CE1-CD1 4.05Å; F77-I306 HydrophobicContact CG-CD1 4.48Å; L79-I306 HydrophobicContact CD2-CG2 4.33Å; F87-I306 HydrophobicContact CD1-CD1 4.21Å; F87-I306 HydrophobicContact CD1-CG1 3.51Å; F87-I306 HydrophobicContact CD2-CD1 4.05Å; F87-I306 HydrophobicContact CD2-CG1 4.1Å; F87-I306 HydrophobicContact CE1-CD1 3.98Å; F87-I306 HydrophobicContact CE1-CG1 3.62Å; F87-I306 HydrophobicContact CE2-CD1 3.82Å; F87-I306 HydrophobicContact CE2-CG1 4.2Å; F87-I306 HydrophobicContact CG-CD1 4.24Å; F87-I306 HydrophobicContact CG-CG1 3.77Å; F87-I306 HydrophobicContact CZ-CD1 3.78Å; F87-I306 HydrophobicContact CZ-CG1 3.98Å; P285-I306 HydrophobicContact CB-CG2 3.67Å; P285-I306 HydrophobicContact CG-CG2 3.95Å; K286-I306 CarbonylContact O-C 3.55Å; K286-I306 WeakPolarHBondContact O-CA 3.31Å; L287-I306 HydrophobicContact CB-CD1 4.23Å; L287-I306 HydrophobicContact CD1-CD1 3.73Å; I306-Y309 VanDerWaalsContact CG2-CB 3.47Å; I306-Y309 HydrophobicContact CG2-CG 4.13Å
307	V	98.3	Very high	97.5	Very high	35 Å²	35	66 Å²	66	21%	0.212	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.6	-178.2	-175.7	0	0	0	0	109.7	P285 K286 I288 Q305 Y309	P285-V307 CarbonylContact C-O 3.59Å; P285-V307 VanDerWaalsContact CA-O 3.28Å; P285-V307 WeakPolarHBondContact CA-O 3.21Å; P285-V307 WeakPolarHBondContact CB-O 3.41Å; K286-V307 HydrophobicContact CB-CB 4.45Å; K286-V307 PolarHBondContact N-O 2.73Å; K286-V307 PolarHBondContact O-N 2.81Å; I288-V307 HydrophobicContact CD1-CG2 3.59Å; I288-V307 HydrophobicContact CG1-CG2 4.06Å; Q305-V307 HydrophobicContact CG-CG2 3.86Å; V307-Y309 VanDerWaalsContact C-N 3.28Å; V307-Y309 PolarHBondContact O-N 3.06Å
308	D	97.3	Very high	97.2	Very high	123 Å²	123	67.8 Å²	67.8	66%	0.658	33%	0.33	S	S	*	.	S	Bend	trans	61.5	27.1	179.2	-53.4	-36.8	0	0	0	115.2	N310	D308-N310 PolarHBondContact O-N 3.26Å
309	Y	97.9	Very high	96.5	Very high	44 Å²	44	69.4 Å²	69.4	17%	0.173	34%	0.337	C	S	.	.			trans	-78.7	94.6	174.9	-171.7	-134.8	0	0	0	112.2	L79 L80 T81 K83 V85 P285 I306 V307 P311	L79-Y309 HydrophobicContact CB-CE2 4.31Å; L79-Y309 HydrophobicContact CD2-CD1 3.87Å; L79-Y309 HydrophobicContact CD2-CD2 3.9Å; L79-Y309 HydrophobicContact CD2-CE1 3.65Å; L79-Y309 HydrophobicContact CD2-CE2 3.69Å; L79-Y309 HydrophobicContact CD2-CG 4Å; L79-Y309 HydrophobicContact CG-CD2 4.38Å; L79-Y309 HydrophobicContact CG-CE1 4.32Å; L79-Y309 HydrophobicContact CG-CE2 3.78Å; L80-Y309 WeakPolarHBondContact O-CE2 3.34Å; L80-Y309 PolarHBondContact O-OH 2.99Å; T81-Y309 HydrophobicContact CG2-CE2 4.48Å; K83-Y309 PolarHBondContact O-OH 3.11Å; V85-Y309 PolarHBondContact N-OH 2.94Å; P285-Y309 HydrophobicContact CB-CD2 4.15Å; P285-Y309 HydrophobicContact CB-CG 4.36Å; P285-Y309 HydrophobicContact CG-CD2 3.73Å; P285-Y309 HydrophobicContact CG-CG 4.25Å; I306-Y309 VanDerWaalsContact CG2-CB 3.47Å; I306-Y309 HydrophobicContact CG2-CG 4.13Å; V307-Y309 VanDerWaalsContact C-N 3.28Å; V307-Y309 PolarHBondContact O-N 3.06Å; Y309-P311 HydrophobicContact CD1-CG 4.05Å; Y309-P311 HydrophobicContact CD2-CB 4.41Å; Y309-P311 HydrophobicContact CD2-CG 4.34Å; Y309-P311 HydrophobicContact CE1-CB 4.22Å; Y309-P311 HydrophobicContact CE1-CG 3.6Å; Y309-P311 HydrophobicContact CE2-CB 3.72Å; Y309-P311 HydrophobicContact CE2-CG 3.92Å; Y309-P311 HydrophobicContact CG-CG 4.39Å; Y309-P311 WeakPolarHBondContact O-CD 3.42Å
310	N	97.2	Very high	95.7	Very high	108 Å²	108	69.7 Å²	69.7	58%	0.578	34%	0.34	S	S	*	.			trans	-111.2	68.2	177.2	-176.7	21.5	0	0	0	111.3	R282 D308	R282-N310 WeakPolarHBondContact CD-O 3.28Å; R282-N310 PolarHBondContact NH1-O 3.44Å; R282-N310 PolarHBondContact NH1-OD1 3.18Å; D308-N310 PolarHBondContact O-N 3.26Å
311	P	97.9	Very high	94.5	Very high	7 Å²	7	65.1 Å²	65.1	5%	0.045	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-75.7	162.8	-179.8	35.7	-38.8	0	0	0	111.7	T81 R84 R282 Y309	T81-P311 CarbonylContact O-C 3.6Å; T81-P311 VanDerWaalsContact O-CA 3.28Å; T81-P311 WeakPolarHBondContact O-CA 3.24Å; R84-P311 HydrophobicContact CB-CB 4.41Å; R84-P311 HydrophobicContact CB-CG 4.06Å; R84-P311 HydrophobicContact CG-CG 4.17Å; R282-P311 PolarHBondContact NH1-O 3.14Å; Y309-P311 HydrophobicContact CD1-CG 4.05Å; Y309-P311 HydrophobicContact CD2-CB 4.41Å; Y309-P311 HydrophobicContact CD2-CG 4.34Å; Y309-P311 HydrophobicContact CE1-CB 4.22Å; Y309-P311 HydrophobicContact CE1-CG 3.6Å; Y309-P311 HydrophobicContact CE2-CB 3.72Å; Y309-P311 HydrophobicContact CE2-CG 3.92Å; Y309-P311 HydrophobicContact CG-CG 4.39Å; Y309-P311 WeakPolarHBondContact O-CD 3.42Å
312	H	98.2	Very high	94.3	Very high	33 Å²	33	66.1 Å²	66.1	15%	0.153	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-62.1	161.9	159.7	-68.4	-92.9	0	0	0	110.9	T81 R84 T280	T81-H312 PolarHBondContact O-CD2 3Å; T81-H312 VanDerWaalsContact O-CD2 3.29Å; T81-H312 PolarHBondContact O-N 2.74Å; R84-H312 PolarHBondContact N-O 2.84Å; T280-H312 PolarHBondContact O-NE2 3.37Å
313	P	97.6	Very high	94.1	Very high	86 Å²	86	63.5 Å²	63.5	56%	0.558	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-54.5	162.4	179.8	-27.7	36.7	0	0	0	114.2	R279	R279-P313 PolarHBondContact NH1-O 2.85Å
314	K	96.2	Very high	93.8	Very high	149 Å²	149	66.4 Å²	66.4	65%	0.648	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-59.2	148.7	174.6	67.2	174.3	-173.8	167.4	0	110.6	R84	R84-K314 HydrophobicContact CB-CB 4.49Å
315	I	96.8	Very high	93.5	Very high	20 Å²	20	69.6 Å²	69.6	10%	0.103	36%	0.359	C	S	.	.			trans	-115	123.3	168.7	-63.2	176.4	0	0	0	105.8	K83 P272 Q276 M317	K83-I315 HydrophobicContact CB-CD1 4.19Å; K83-I315 HydrophobicContact CB-CG1 4.34Å; P272-I315 HydrophobicContact CB-CG2 3.62Å; Q276-I315 HydrophobicContact CB-CD1 3.47Å; Q276-I315 VanDerWaalsContact CB-CD1 3.47Å; Q276-I315 HydrophobicContact CG-CD1 3.87Å; I315-M317 HydrophobicContact CG2-CE 4.34Å; I315-M317 HydrophobicContact CG2-CG 4.43Å
316	Q	93.9	Very high	93.2	Very high	131 Å²	131	68.4 Å²	68.4	61%	0.612	36%	0.355	S	S	*	.			trans	-80	129.3	-179.8	-173.3	65.7	34.9	0	0	109.1
317	M	94.3	Very high	92.9	Very high	17 Å²	17	70.1 Å²	70.1	8%	0.084	36%	0.364	C	S	.	.			trans	-143.5	132.3	176.1	-78.6	174.6	-70.2	0	0	107.5	K83 G228 L229 H269 P272 L273 I315	K83-M317 HydrophobicContact CD-CE 4.28Å; G228-M317 WeakPolarHBondContact O-CE 3.29Å; L229-M317 HydrophobicContact CD2-CB 3.79Å; L229-M317 HydrophobicContact CD2-CE 4.2Å; L229-M317 HydrophobicContact CG-CB 4.28Å; H269-M317 HydrophobicContact CB-CG 4.4Å; H269-M317 HydrophobicContact CB-SD 4.06Å; P272-M317 HydrophobicContact CB-CG 3.61Å; P272-M317 HydrophobicContact CB-SD 4.13Å; P272-M317 HydrophobicContact CG-CG 4.05Å; L273-M317 HydrophobicContact CD2-SD 4.08Å; L273-M317 HydrophobicContact CG-SD 4.11Å; I315-M317 HydrophobicContact CG2-CE 4.34Å; I315-M317 HydrophobicContact CG2-CG 4.43Å
318	D	89.5	Confident	92.5	Very high	105 Å²	105	72.6 Å²	72.6	56%	0.561	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-88	137.9	-177.7	-61.8	-32.8	0	0	0	110.9	H269	H269-D318 PolarHBondContact CE1-O 3.38Å; H269-D318 PolarHBondContact NE2-O 3.41Å
319	M	84.2	Confident	92.1	Very high	109 Å²	109	68.8 Å²	68.8	54%	0.537	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-72.1	137.5	179	-165.6	-174	-52.8	0	0	110.8	L229	L229-M319 HydrophobicContact CD1-CB 4.12Å; L229-M319 HydrophobicContact CD1-CG 4.41Å
320	A	81	Confident	91.6	Very high	14 Å²	14	70.8 Å²	70.8	12%	0.116	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-86.8	123.7	172	0	0	0	0	0	110	T57 V59 Y266	T57-A320 HydrophobicContact CG2-CB 3.93Å; V59-A320 HydrophobicContact CG2-CB 3.98Å; Y266-A320 HydrophobicContact CD1-CB 3.93Å; Y266-A320 HydrophobicContact CD2-CB 4.38Å; Y266-A320 HydrophobicContact CE1-CB 3.54Å; Y266-A320 HydrophobicContact CE2-CB 4.03Å; Y266-A320 HydrophobicContact CG-CB 4.33Å
321	V	72.8	Confident	91.1	Very high	71 Å²	71	67.5 Å²	67.5	43%	0.43	35%	0.35	S	S	.	.			trans	-109.7	0	-175.7	-178.8	0	0	0	0	111.8	R56 F123	R56-V321 PolarHBondContact NH1-OXT 2.83Å; F123-V321 HydrophobicContact CD2-CG1 3.73Å; F123-V321 HydrophobicContact CE2-CG1 3.91Å

Retrieved 321 of 321 residues in 312.9 ms (Link to these results)

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