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Hemopexin

Binds heme and transports it to the liver for breakdown and iron recovery, after which the free hemopexin returns to the circulation.

AlphaFold DB (A0A2K6A3W4), UniProt , Accession A0A096N345, Species PAPAN (Papio anubis, Olive baboon), Gene HPX, Length 462 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	38	Very low	35.3	Very low	241 Å²	241	136.8 Å²	136.8	100%	1.187	83%	0.832	S	S	*	*				0	96.9	0	-63.3	-172.7	-136.5	0	0	106.4
2	A	34.2	Very low	34.9	Very low	91 Å²	91	131.1 Å²	131.1	75%	0.752	82%	0.821	S	S	*	*				86.3	106.9	90.6	0	0	0	0	0	110.6
3	R	32.8	Very low	34.8	Very low	244 Å²	244	131.2 Å²	131.2	92%	0.921	81%	0.811	S	S	*	*				69.4	115	98.2	-83.4	-173.9	174.2	-179.8	-1.2	112
4	A	34.3	Very low	34.5	Very low	82 Å²	82	137.6 Å²	137.6	68%	0.678	81%	0.813	S	S	*	*				97.9	127.7	71.1	0	0	0	0	0	112.8
5	L	40.3	Very low	34.4	Very low	184 Å²	184	133.9 Å²	133.9	96%	0.963	80%	0.797	S	S	*	*			trans	44.9	136.5	145.3	-78.5	126.2	0	0	0	122.6
6	G	31.3	Very low	34.3	Very low	79 Å²	79	135.5 Å²	135.5	81%	0.814	80%	0.799	S	S	*	*			trans	166.4	105.6	149.4	0	0	0	0	0	114.7
7	A	34.5	Very low	34.1	Very low	98 Å²	98	132.6 Å²	132.6	81%	0.81	79%	0.787	S	S	*	*			trans	-84.6	163.3	158.7	0	0	0	0	0	109.8
8	P	46.3	Very low	33.8	Very low	113 Å²	113	138.2 Å²	138.2	73%	0.734	79%	0.792	S	S	*	*				-154.3	154.9	95.5	39.2	-18.2	0	0	0	115.4
9	V	33.1	Very low	33.7	Very low	144 Å²	144	136.7 Å²	136.7	87%	0.873	79%	0.791	S	S	*	*				65.2	141.5	109	-179.4	0	0	0	0	115.5
10	A	32.7	Very low	33.7	Very low	72 Å²	72	138.5 Å²	138.5	60%	0.595	80%	0.796	S	S	*	*			cis	179.2	166.2	-20.8	0	0	0	0	0	108
11	L	31	Very low	33.7	Very low	157 Å²	157	135.6 Å²	135.6	82%	0.822	79%	0.789	S	S	*	*			trans	80.1	127	141.8	-75.3	153.9	0	0	0	123.4	L13	L11-L13 HydrophobicContact CD2-CD1 4.35Å; L11-L13 HydrophobicContact CD2-CD2 4.45Å; L11-L13 HydrophobicContact CD2-CG 4.17Å
12	G	30.8	Very low	33.6	Very low	68 Å²	68	131.9 Å²	131.9	70%	0.701	77%	0.772	S	S	*	*			trans	174.2	91.6	147.6	0	0	0	0	0	108.7
13	L	33	Very low	33.5	Very low	133 Å²	133	132.2 Å²	132.2	70%	0.696	78%	0.775	S	S	*	*				57.7	122.5	77.8	-64.1	172.3	0	0	0	110.7	L11	L11-L13 HydrophobicContact CD2-CD1 4.35Å; L11-L13 HydrophobicContact CD2-CD2 4.45Å; L11-L13 HydrophobicContact CD2-CG 4.17Å
14	W	31.4	Very low	33.6	Very low	221 Å²	221	127.8 Å²	127.8	84%	0.837	77%	0.77	S	S	*	*			cis	-174.3	135.1	44.9	-108.6	8.5	0	0	0	110.6
15	S	31.9	Very low	33.5	Very low	82 Å²	82	130.2 Å²	130.2	57%	0.573	78%	0.779	S	S	*	*				84	112.8	103.9	76.1	0	0	0	0	115.8
16	L	32.8	Very low	33.1	Very low	159 Å²	159	129 Å²	129	83%	0.832	77%	0.772	S	S	*	*				66.9	138.2	97.5	-66.6	158.7	0	0	0	113
17	C	31.1	Very low	33.8	Very low	87 Å²	87	130.3 Å²	130.3	59%	0.588	77%	0.767	S	S	*	*			cis	-173.7	160.9	27	-133	0	0	0	0	111.1
18	W	29.8	Very low	34	Very low	232 Å²	232	130.8 Å²	130.8	88%	0.879	76%	0.761	S	S	*	*			trans	27.1	143.3	149	-57.8	-14.3	0	0	0	122.4
19	S	32.1	Very low	33.1	Very low	111 Å²	111	131.8 Å²	131.8	78%	0.776	77%	0.766	S	S	*	*				-175.9	156.5	64.6	-49.8	0	0	0	0	114.6
20	L	33.3	Very low	33.1	Very low	171 Å²	171	130.4 Å²	130.4	90%	0.895	76%	0.762	S	S	*	*			trans	-40.1	165.1	162.5	-72.8	125.2	0	0	0	116.6
21	A	33.9	Very low	33.1	Very low	78 Å²	78	131.4 Å²	131.4	65%	0.645	77%	0.771	S	S	*	*			cis	-172.8	149.4	33	0	0	0	0	0	113.7
22	I	35.3	Very low	33.3	Very low	163 Å²	163	132.9 Å²	132.9	84%	0.836	77%	0.773	S	S	*	*			trans	60.2	123.4	131.4	-52.5	166.2	0	0	0	123
23	A	31.3	Very low	33.1	Very low	98 Å²	98	133 Å²	133	81%	0.81	77%	0.774	S	S	*	*				-171.1	132.4	120.9	0	0	0	0	0	113.3
24	N	34.6	Very low	33.1	Very low	151 Å²	151	134.7 Å²	134.7	81%	0.807	78%	0.784	S	S	*	*			trans	-102.9	157.7	169.1	-88.6	-34.1	0	0	0	109.9
25	P	33.1	Very low	33.4	Very low	134 Å²	134	130.5 Å²	130.5	87%	0.87	78%	0.783	S	S	*	*				-144.7	155	96.2	32	-12.3	0	0	0	116.3
26	L	30.9	Very low	33.5	Very low	157 Å²	157	130.8 Å²	130.8	82%	0.822	79%	0.79	S	S	*	*			trans	-101.4	179.7	168.5	-90.5	170.9	0	0	0	109.9
27	P	46.6	Very low	33.8	Very low	108 Å²	108	132.1 Å²	132.1	70%	0.701	79%	0.792	S	S	*	*			cis	-137.8	-155.7	-8.5	32.9	-6.8	0	0	0	112
28	P	38.6	Very low	34	Very low	107 Å²	107	131 Å²	131	70%	0.695	79%	0.794	S	S	*	*			cis	-140.4	174.3	2.5	40	-17.6	0	0	0	120.1
29	T	28.7	Very low	34.7	Very low	135 Å²	135	129.1 Å²	129.1	83%	0.828	80%	0.796	S	S	*	*			trans	75.4	108.6	155.1	44.8	0	0	0	0	121.4
30	S	31.6	Very low	35.7	Very low	114 Å²	114	130.2 Å²	130.2	80%	0.797	80%	0.798	S	S	*	*				-169.3	137.1	86.5	61.4	0	0	0	0	110.3
31	A	33.9	Very low	36.9	Very low	93 Å²	93	131.2 Å²	131.2	77%	0.769	80%	0.795	S	S	*	*			trans	-90.3	132.4	-178.9	0	0	0	0	0	110.4
32	H	33.8	Very low	38.6	Very low	188 Å²	188	131.2 Å²	131.2	87%	0.87	79%	0.789	S	S	*	*			trans	-130.2	106.9	149.4	-82.7	-57.9	0	0	0	107.7
33	G	28.2	Very low	40.9	Very low	71 Å²	71	128 Å²	128	73%	0.732	77%	0.773	S	S	*	*			trans	-67	133.9	177.5	0	0	0	0	0	110.7	V35	G33-V35 PolarHBondContact O-N 3.27Å; G33-V35 VanDerWaalsContact O-N 3.09Å
34	N	33.1	Very low	43.5	Very low	168 Å²	168	128 Å²	128	90%	0.898	76%	0.764	S	S	*	*			trans	-65.2	103	161.6	-72.1	-23.4	0	0	0	107.9	A36	N34-A36 PolarHBondContact O-N 2.72Å
35	V	36.2	Very low	45.9	Very low	134 Å²	134	121.4 Å²	121.4	81%	0.812	73%	0.729	S	S	*	*			trans	-72.8	103.1	157.9	178.1	0	0	0	0	105.3	G33 E37	G33-V35 PolarHBondContact O-N 3.27Å; G33-V35 VanDerWaalsContact O-N 3.09Å; V35-E37 PolarHBondContact O-N 3.37Å; V35-E37 VanDerWaalsContact O-N 3.12Å
36	A	34.9	Very low	48.5	Very low	88 Å²	88	116.7 Å²	116.7	73%	0.727	70%	0.698	S	S	*	*			trans	-56.4	114.8	159.7	0	0	0	0	0	107	N34 G38	N34-A36 PolarHBondContact O-N 2.72Å; A36-G38 PolarHBondContact O-N 3.23Å
37	E	38.5	Very low	51.3	Low	187 Å²	187	112.7 Å²	112.7	87%	0.874	68%	0.68	S	S	*	*			trans	-57.8	96.7	160	-87.1	179.9	146.9	0	0	106.7	V35 E39	V35-E37 PolarHBondContact O-N 3.37Å; V35-E37 VanDerWaalsContact O-N 3.12Å; E37-E39 PolarHBondContact O-N 3.1Å
38	G	36.4	Very low	53.2	Low	62 Å²	62	112.6 Å²	112.6	64%	0.639	67%	0.671	S	S	*	*			trans	-65.5	102.9	165.2	0	0	0	0	0	107.2	A36 T40	A36-G38 PolarHBondContact O-N 3.23Å; G38-T40 VanDerWaalsContact C-N 3.31Å; G38-T40 PolarHBondContact O-N 3.1Å; G38-T40 PolarHBondContact O-OG1 3.35Å
39	E	43.5	Very low	55.8	Low	194 Å²	194	107.8 Å²	107.8	91%	0.907	64%	0.639	S	S	*	*			trans	-51.1	102.2	162	-74.8	-175.4	155.6	0	0	107.4	E37 K41	E37-E39 PolarHBondContact O-N 3.1Å; E39-K41 PolarHBondContact O-N 2.81Å; E39-K41 VanDerWaalsContact O-N 3.12Å
40	T	52.7	Low	58.8	Low	134 Å²	134	102.4 Å²	102.4	82%	0.822	61%	0.606	S	S	*	*			trans	-72.2	111	178.4	-20.1	0	0	0	0	105.4	G38 P42	G38-T40 VanDerWaalsContact C-N 3.31Å; G38-T40 PolarHBondContact O-N 3.1Å; G38-T40 PolarHBondContact O-OG1 3.35Å; T40-P42 VanDerWaalsContact O-N 3.17Å
41	K	59.5	Low	61.7	Low	191 Å²	191	99.4 Å²	99.4	83%	0.83	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-50.8	125.2	178.3	-169.7	179.1	-177.1	-179.4	0	108.4	E39	E39-K41 PolarHBondContact O-N 2.81Å; E39-K41 VanDerWaalsContact O-N 3.12Å
42	P	68.5	Low	64.3	Low	79 Å²	79	101 Å²	101	51%	0.513	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-59.6	143.3	-177.5	20.1	-29.4	0	0	0	110	T40	T40-P42 VanDerWaalsContact O-N 3.17Å
43	D	83.7	Confident	66.9	Low	94 Å²	94	95.7 Å²	95.7	50%	0.503	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-48.9	125.8	177.8	-175.7	-26.1	0	0	0	109.3	D45 V46 T47	D43-D45 PolarHBondContact O-N 2.77Å; D43-D45 WeakPolarHBondContact OD1-CB 3.25Å; D43-D45 PolarHBondContact OD1-N 3.49Å; D43-V46 HydrophobicContact CB-CB 4.15Å; D43-V46 HydrophobicContact CB-CG2 3.86Å; D43-V46 PolarHBondContact O-N 2.82Å; D43-V46 VanDerWaalsContact O-N 3.07Å; D43-T47 PolarHBondContact O-N 3.14Å; D43-T47 PolarHBondContact O-OG1 2.87Å
44	P	85.4	Confident	70	Confident	98 Å²	98	93.1 Å²	93.1	64%	0.636	55%	0.545	S	S	*	.	H	α-helix	trans	-52.7	-35.8	178.7	-27.2	34.7	0	0	0	113.5	T47 E48	P44-T47 PolarHBondContact O-N 2.87Å; P44-E48 WeakPolarHBondContact O-CB 3.36Å; P44-E48 PolarHBondContact O-N 2.76Å
45	D	86.6	Confident	73	Confident	13 Å²	13	86.5 Å²	86.5	7%	0.07	51%	0.512	C	S	.	.	H	α-helix	trans	-63.3	-45.8	176.9	-177.6	83.2	0	0	0	111.9	D43 T47 E48 R49 W76 R83	D43-D45 PolarHBondContact O-N 2.77Å; D43-D45 WeakPolarHBondContact OD1-CB 3.25Å; D43-D45 PolarHBondContact OD1-N 3.49Å; D45-T47 VanDerWaalsContact C-N 3.31Å; D45-E48 PolarHBondContact O-N 2.95Å; D45-R49 WeakPolarHBondContact O-CG 3.3Å; D45-R49 PolarHBondContact O-N 3.2Å; D45-R49 IonicContact OD2-CZ 3.93Å; D45-R49 IonicContact OD2-NE 3.5Å; D45-R49 PolarHBondContact OD2-NE 2.73Å; D45-R49 IonicContact OD2-NH2 3.35Å; D45-R49 PolarHBondContact OD2-NH2 2.95Å; D45-R49 VanDerWaalsContact OD2-NH2 3.08Å; D45-W76 VanDerWaalsContact OD1-CZ2 3.28Å; D45-W76 WeakPolarHBondContact OD1-CZ2 3.38Å; D45-W76 PolarHBondContact OD1-NE1 3.01Å; D45-W76 VanDerWaalsContact OD1-NE1 3.11Å; D45-W76 PolarHBondContact OD2-NE1 2.77Å; D45-R83 VanDerWaalsContact OD1-CD 3.31Å; D45-R83 WeakPolarHBondContact OD1-CD 3.35Å; D45-R83 IonicContact OD1-CZ 3.57Å; D45-R83 IonicContact OD1-NE 2.91Å; D45-R83 IonicContact OD1-NH1 3.22Å; D45-R83 PolarHBondContact OD1-NH1 3.04Å
46	V	87.2	Confident	75.9	Confident	35 Å²	35	80.2 Å²	80.2	21%	0.212	47%	0.473	C	S	.	.	H	α-helix	trans	-65.2	-41.1	177.7	177.3	0	0	0	0	109.9	D43 E48 C50 P232	D43-V46 HydrophobicContact CB-CB 4.15Å; D43-V46 HydrophobicContact CB-CG2 3.86Å; D43-V46 PolarHBondContact O-N 2.82Å; D43-V46 VanDerWaalsContact O-N 3.07Å; V46-E48 VanDerWaalsContact C-N 3.34Å; V46-E48 PolarHBondContact O-N 2.88Å; V46-C50 WeakPolarHBondContact O-CB 3.31Å; V46-C50 PolarHBondContact O-N 2.74Å; V46-C50 PolarHBondContact O-SG 2.81Å; V46-P232 HydrophobicContact CG1-CG 4.01Å
47	T	88.8	Confident	78.9	Confident	74 Å²	74	77.9 Å²	77.9	45%	0.454	45%	0.448	S	S	.	.	H	α-helix	trans	-61.7	-43.3	178.5	-54.2	0	0	0	0	111.3	D43 P44 D45 S51	D43-T47 PolarHBondContact O-N 3.14Å; D43-T47 PolarHBondContact O-OG1 2.87Å; P44-T47 PolarHBondContact O-N 2.87Å; D45-T47 VanDerWaalsContact C-N 3.31Å; T47-S51 PolarHBondContact O-N 3.43Å
48	E	88.1	Confident	81.8	Confident	106 Å²	106	69 Å²	69	50%	0.495	41%	0.407	S	S	.	.	H	α-helix	trans	-66.4	-51.8	179.1	-173.1	178.9	-165.7	0	0	111.7	P44 D45 V46 C50 S51 W54	P44-E48 WeakPolarHBondContact O-CB 3.36Å; P44-E48 PolarHBondContact O-N 2.76Å; D45-E48 PolarHBondContact O-N 2.95Å; V46-E48 VanDerWaalsContact C-N 3.34Å; V46-E48 PolarHBondContact O-N 2.88Å; E48-C50 VanDerWaalsContact C-N 3.32Å; E48-C50 PolarHBondContact O-N 3.3Å; E48-S51 VanDerWaalsContact O-CB 3.25Å; E48-S51 WeakPolarHBondContact O-CB 3.26Å; E48-S51 PolarHBondContact O-N 3.38Å; E48-S51 PolarHBondContact O-OG 2.51Å; E48-W54 HydrophobicContact CG-CE3 4Å; E48-W54 HydrophobicContact CG-CZ3 3.73Å
49	R	91.6	Very high	84.8	Confident	6 Å²	6	66.1 Å²	66.1	2%	0.023	38%	0.377	C	S	.	.	H	α-helix	trans	-66.6	-33	-178.3	-70.7	-167.4	-69.5	110.4	0.7	113.9	D45 S51 W54 W76 M229	D45-R49 WeakPolarHBondContact O-CG 3.3Å; D45-R49 PolarHBondContact O-N 3.2Å; D45-R49 IonicContact OD2-CZ 3.93Å; D45-R49 IonicContact OD2-NE 3.5Å; D45-R49 PolarHBondContact OD2-NE 2.73Å; D45-R49 IonicContact OD2-NH2 3.35Å; D45-R49 PolarHBondContact OD2-NH2 2.95Å; D45-R49 VanDerWaalsContact OD2-NH2 3.08Å; R49-S51 VanDerWaalsContact C-N 3.26Å; R49-S51 PolarHBondContact O-N 2.71Å; R49-W54 HydrophobicContact CB-CD2 4.37Å; R49-W54 HydrophobicContact CG-CD2 4.21Å; R49-W54 HydrophobicContact CG-CH2 3.97Å; R49-W54 HydrophobicContact CG-CZ2 3.66Å; R49-W54 HydrophobicContact CG-CZ3 4.41Å; R49-W54 WeakPolarHBondContact O-CB 3.49Å; R49-W76 VanDerWaalsContact CD-CE2 3.43Å; R49-W76 VanDerWaalsContact CD-NE1 3.31Å; R49-W76 HydrophobicContact CG-CZ2 4.26Å; R49-W76 VanDerWaalsContact NE-CD1 3.33Å; R49-M229 HydrophobicContact CB-CE 4.2Å; R49-M229 HydrophobicContact CB-SD 3.8Å; R49-M229 VanDerWaalsContact NH1-CG 3.26Å; R49-M229 PolarHBondContact NH1-SD 2.72Å; R49-M229 WeakPolarHBondContact O-CE 3.3Å
50	C	92.1	Very high	87.4	Confident	22 Å²	22	57 Å²	57	15%	0.149	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-2.7	178.7	-63.3	0	0	0	0	113.3	V46 E48 R225 C231	V46-C50 WeakPolarHBondContact O-CB 3.31Å; V46-C50 PolarHBondContact O-N 2.74Å; V46-C50 PolarHBondContact O-SG 2.81Å; E48-C50 VanDerWaalsContact C-N 3.32Å; E48-C50 PolarHBondContact O-N 3.3Å; C50-R225 WeakPolarHBondContact O-CD 3.43Å; C50-R225 PolarHBondContact O-NH1 2.82Å; C50-C231 VanDerWaalsContact CA-SG 3.54Å; C50-C231 HydrophobicContact CB-CB 3.83Å; C50-C231 WeakPolarHBondContact CB-SG 3.5Å; C50-C231 WeakPolarHBondContact SG-CA 3.36Å; C50-C231 WeakPolarHBondContact SG-CB 3.35Å; C50-C231 CovalentContact SG-SG 2.04Å; C50-C231 PolarHBondContact SG-SG 2.96Å
51	S	92.5	Very high	89.5	Confident	50 Å²	50	50.6 Å²	50.6	35%	0.35	30%	0.296	S	S	.	.	S	Bend	trans	-66.9	153.2	175.7	73.9	0	0	0	0	112	T47 E48 R49 G53 W54 N204	T47-S51 PolarHBondContact O-N 3.43Å; E48-S51 VanDerWaalsContact O-CB 3.25Å; E48-S51 WeakPolarHBondContact O-CB 3.26Å; E48-S51 PolarHBondContact O-N 3.38Å; E48-S51 PolarHBondContact O-OG 2.51Å; R49-S51 VanDerWaalsContact C-N 3.26Å; R49-S51 PolarHBondContact O-N 2.71Å; S51-G53 VanDerWaalsContact C-N 3.3Å; S51-G53 PolarHBondContact O-N 2.73Å; S51-W54 WeakPolarHBondContact O-CB 3.34Å; S51-W54 PolarHBondContact O-N 2.95Å; S51-N204 PolarHBondContact O-ND2 2.93Å
52	D	88.9	Confident	91.2	Very high	128 Å²	128	42.6 Å²	42.6	68%	0.684	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-29.3	-173.1	-69.4	-39.4	0	0	0	114.2	W54 N204 R225	D52-W54 VanDerWaalsContact C-N 3.35Å; D52-N204 VanDerWaalsContact C-ND2 3.3Å; D52-N204 PolarHBondContact O-ND2 2.9Å; D52-R225 IonicContact OD1-CZ 3.6Å; D52-R225 VanDerWaalsContact OD1-CZ 3.31Å; D52-R225 IonicContact OD1-NH1 2.78Å; D52-R225 PolarHBondContact OD1-NH1 2.95Å; D52-R225 IonicContact OD1-NH2 3.97Å; D52-R225 PolarHBondContact OD1-NH2 3.06Å
53	G	88.7	Confident	92.3	Very high	75 Å²	75	41.5 Å²	41.5	77%	0.773	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	1.4	-179.1	0	0	0	0	0	114.9	S51	S51-G53 VanDerWaalsContact C-N 3.3Å; S51-G53 PolarHBondContact O-N 2.73Å
54	W	93.9	Very high	92.8	Very high	18 Å²	18	41.7 Å²	41.7	7%	0.068	25%	0.253	C	S	.	.			trans	-65	146.7	-177.7	-176.2	-99.3	0	0	0	112.6	E48 R49 S51 D52 F56 K71 W76 N204	E48-W54 HydrophobicContact CG-CE3 4Å; E48-W54 HydrophobicContact CG-CZ3 3.73Å; R49-W54 HydrophobicContact CB-CD2 4.37Å; R49-W54 HydrophobicContact CG-CD2 4.21Å; R49-W54 HydrophobicContact CG-CH2 3.97Å; R49-W54 HydrophobicContact CG-CZ2 3.66Å; R49-W54 HydrophobicContact CG-CZ3 4.41Å; R49-W54 WeakPolarHBondContact O-CB 3.49Å; S51-W54 WeakPolarHBondContact O-CB 3.34Å; S51-W54 PolarHBondContact O-N 2.95Å; D52-W54 VanDerWaalsContact C-N 3.35Å; W54-F56 AromaticContact CD1-CE2 3.96Å; W54-F56 AromaticContact CD1-CZ 3.98Å; W54-F56 AromaticContact CE2-CE1 3.67Å; W54-F56 AromaticContact CE2-CZ 3.94Å; W54-F56 AromaticContact CZ2-CD1 3.98Å; W54-F56 HydrophobicContact CZ2-CD1 3.98Å; W54-F56 AromaticContact CZ2-CE1 3.57Å; W54-F56 HydrophobicContact CZ2-CE1 3.57Å; W54-F56 HydrophobicContact CZ2-CZ 4.25Å; W54-F56 AromaticContact NE1-CD1 3.6Å; W54-F56 AromaticContact NE1-CD2 3.79Å; W54-F56 AromaticContact NE1-CE1 3.18Å; W54-F56 AromaticContact NE1-CE2 3.38Å; W54-F56 AromaticContact NE1-CG 3.89Å; W54-F56 AromaticContact NE1-CZ 3.05Å; W54-K71 HydrophobicContact CH2-CB 3.86Å; W54-K71 HydrophobicContact CH2-CG 3.44Å; W54-K71 VanDerWaalsContact CH2-CG 3.44Å; W54-K71 HydrophobicContact CZ2-CB 3.71Å; W54-K71 HydrophobicContact CZ2-CG 3.68Å; W54-K71 HydrophobicContact CZ3-CG 4.11Å; W54-W76 AromaticContact CH2-CH2 3.84Å; W54-W76 HydrophobicContact CH2-CH2 3.84Å; W54-W76 HydrophobicContact CH2-CZ2 4.31Å; W54-W76 HydrophobicContact CH2-CZ3 4.38Å; W54-W76 HydrophobicContact CZ2-CH2 4.1Å; W54-W76 HydrophobicContact CZ2-CZ3 4.25Å; W54-N204 PolarHBondContact N-ND2 3.15Å; W54-N204 PolarHBondContact O-N 3.11Å; W54-N204 PolarHBondContact O-ND2 2.77Å; W54-N204 PolarHBondContact O-OD1 2.82Å; W54-N204 VanDerWaalsContact O-OD1 3.11Å
55	S	95.7	Very high	93.1	Very high	29 Å²	29	37.5 Å²	37.5	20%	0.203	23%	0.227	C	C	.	.			trans	-159.3	133.6	177.7	171.1	0	0	0	0	109.7	K71	S55-K71 VanDerWaalsContact O-CD 3.24Å; S55-K71 WeakPolarHBondContact O-CD 3.28Å; S55-K71 WeakPolarHBondContact O-CE 3.38Å; S55-K71 PolarHBondContact O-NZ 3.05Å
56	F	96.9	Very high	93.5	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.009	23%	0.234	C	C	.	.			trans	-84.4	142.1	171.9	-63.4	-69.9	0	0	0	111.1	W54 T59 F69 F70 K71 W76 W81 M229	W54-F56 AromaticContact CD1-CE2 3.96Å; W54-F56 AromaticContact CD1-CZ 3.98Å; W54-F56 AromaticContact CE2-CE1 3.67Å; W54-F56 AromaticContact CE2-CZ 3.94Å; W54-F56 AromaticContact CZ2-CD1 3.98Å; W54-F56 HydrophobicContact CZ2-CD1 3.98Å; W54-F56 AromaticContact CZ2-CE1 3.57Å; W54-F56 HydrophobicContact CZ2-CE1 3.57Å; W54-F56 HydrophobicContact CZ2-CZ 4.25Å; W54-F56 AromaticContact NE1-CD1 3.6Å; W54-F56 AromaticContact NE1-CD2 3.79Å; W54-F56 AromaticContact NE1-CE1 3.18Å; W54-F56 AromaticContact NE1-CE2 3.38Å; W54-F56 AromaticContact NE1-CG 3.89Å; W54-F56 AromaticContact NE1-CZ 3.05Å; F56-T59 HydrophobicContact CB-CG2 4.3Å; F56-F69 HydrophobicContact CD1-CB 3.64Å; F56-F69 HydrophobicContact CD2-CB 4.25Å; F56-F69 AromaticContact CD2-CD1 3.76Å; F56-F69 HydrophobicContact CD2-CD1 3.76Å; F56-F69 HydrophobicContact CD2-CG 4.42Å; F56-F69 HydrophobicContact CE1-CB 3.56Å; F56-F69 HydrophobicContact CE1-CG 4.43Å; F56-F69 HydrophobicContact CE2-CB 4.19Å; F56-F69 AromaticContact CE2-CD1 3.79Å; F56-F69 HydrophobicContact CE2-CD1 3.79Å; F56-F69 HydrophobicContact CE2-CG 4.25Å; F56-F69 HydrophobicContact CG-CB 3.98Å; F56-F69 HydrophobicContact CG-CD1 4.22Å; F56-F69 HydrophobicContact CZ-CB 3.86Å; F56-F69 HydrophobicContact CZ-CD1 4.26Å; F56-F69 HydrophobicContact CZ-CG 4.25Å; F56-F70 CarbonylContact C-O 3.44Å; F56-F70 WeakPolarHBondContact CA-O 3.44Å; F56-K71 HydrophobicContact CD1-CB 4.21Å; F56-W76 HydrophobicContact CE1-CE3 4.18Å; F56-W81 HydrophobicContact CE1-CZ3 4.32Å; F56-W81 HydrophobicContact CE2-CH2 4.21Å; F56-W81 HydrophobicContact CE2-CZ3 4.34Å; F56-W81 AromaticContact CZ-CH2 3.92Å; F56-W81 HydrophobicContact CZ-CH2 3.92Å; F56-W81 AromaticContact CZ-CZ3 3.6Å; F56-W81 HydrophobicContact CZ-CZ3 3.6Å; F56-M229 HydrophobicContact CE2-SD 4.16Å; F56-M229 HydrophobicContact CZ-SD 3.86Å
57	D	98.4	Very high	93.9	Very high	38 Å²	38	38.3 Å²	38.3	20%	0.203	23%	0.231	C	C	.	.	S	Bend	trans	-77.9	-34	179.4	-52.4	-29.9	0	0	0	111	F70 K71 G72 V97	D57-F70 PolarHBondContact N-O 3.41Å; D57-K71 WeakPolarHBondContact OD1-CD 3.15Å; D57-K71 IonicContact OD1-NZ 2.98Å; D57-K71 PolarHBondContact OD1-NZ 2.81Å; D57-K71 WeakPolarHBondContact OD2-CA 3.29Å; D57-K71 WeakPolarHBondContact OD2-CD 3.45Å; D57-G72 PolarHBondContact OD2-N 2.81Å; D57-V97 WeakPolarHBondContact CB-O 2.9Å
58	A	98.7	Very high	94.3	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	154.3	175.3	0	0	0	0	0	111.7	F70 V97 A100	A58-F70 HydrophobicContact CB-CB 4.23Å; A58-F70 HydrophobicContact CB-CD2 4.1Å; A58-F70 PolarHBondContact O-N 3.03Å; A58-V97 HydrophobicContact CB-CB 3.95Å; A58-V97 HydrophobicContact CB-CG1 3.57Å; A58-A100 HydrophobicContact CB-CB 4Å
59	T	98.4	Very high	94.8	Very high	2 Å²	2	30 Å²	30	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	145	175.7	49	0	0	0	0	110.4	F56 L68 F69 S190 A191	F56-T59 HydrophobicContact CB-CG2 4.3Å; T59-L68 WeakPolarHBondContact CA-O 3.47Å; T59-F69 HydrophobicContact CG2-CD1 3.45Å; T59-F69 VanDerWaalsContact CG2-CD1 3.45Å; T59-F69 HydrophobicContact CG2-CE1 3.91Å; T59-F69 HydrophobicContact CG2-CG 4.29Å; T59-S190 WeakPolarHBondContact CG2-OG 3.35Å; T59-S190 WeakPolarHBondContact OG1-CB 3.28Å; T59-S190 PolarHBondContact OG1-OG 3.22Å; T59-S190 VanDerWaalsContact OG1-OG 3.07Å; T59-A191 VanDerWaalsContact O-O 3.05Å; T59-A191 PolarHBondContact OG1-N 2.9Å; T59-A191 PolarHBondContact OG1-O 2.82Å
60	T	98.3	Very high	95.1	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	178.7	173.7	-170.5	0	0	0	0	110	L68 F70 A100 F101 R102 V108	T60-L68 HydrophobicContact CG2-CB 4.19Å; T60-L68 HydrophobicContact CG2-CD1 3.89Å; T60-L68 HydrophobicContact CG2-CG 4.42Å; T60-L68 PolarHBondContact N-O 3.27Å; T60-L68 VanDerWaalsContact N-O 3.16Å; T60-L68 PolarHBondContact O-N 2.9Å; T60-F70 HydrophobicContact CG2-CE2 4.07Å; T60-A100 HydrophobicContact CG2-CB 3.88Å; T60-F101 VanDerWaalsContact OG1-CA 3.31Å; T60-F101 WeakPolarHBondContact OG1-CA 3.36Å; T60-R102 PolarHBondContact OG1-N 3.25Å; T60-V108 HydrophobicContact CG2-CG1 4.01Å
61	L	97	Very high	95.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	147.4	163.3	-66.3	166.9	0	0	0	110.1	G65 T66 M67 R102 L192 R193 D290	L61-G65 WeakPolarHBondContact CD2-O 3.1Å; L61-T66 CarbonylContact C-O 3.54Å; L61-T66 WeakPolarHBondContact CA-O 3.45Å; L61-M67 HydrophobicContact CD2-CB 4.23Å; L61-M67 HydrophobicContact CD2-CG 3.48Å; L61-M67 VanDerWaalsContact CD2-CG 3.48Å; L61-R102 WeakPolarHBondContact O-CB 3.47Å; L61-R102 WeakPolarHBondContact O-CD 3.01Å; L61-L192 HydrophobicContact CG-CD1 4.05Å; L61-R193 VanDerWaalsContact CD1-O 3.25Å; L61-R193 WeakPolarHBondContact CD1-O 3.33Å; L61-D290 HydrophobicContact CD1-CB 4.03Å
62	D	95	Very high	95.6	Very high	22 Å²	22	30.7 Å²	30.7	12%	0.118	19%	0.19	C	C	.	.			trans	-80.6	179.7	166.1	78.3	-4	0	0	0	111.6	N64 G65 T66 L68 R102 V108	D62-N64 VanDerWaalsContact C-N 3.3Å; D62-N64 PolarHBondContact O-N 2.93Å; D62-N64 VanDerWaalsContact OD1-C 3.26Å; D62-N64 VanDerWaalsContact OD1-CA 3.27Å; D62-N64 WeakPolarHBondContact OD1-CA 3.42Å; D62-N64 WeakPolarHBondContact OD1-CB 3.43Å; D62-N64 PolarHBondContact OD1-N 2.95Å; D62-G65 PolarHBondContact O-N 2.67Å; D62-G65 PolarHBondContact OD1-N 2.94Å; D62-T66 PolarHBondContact N-O 2.87Å; D62-T66 WeakPolarHBondContact OD1-CA 3.37Å; D62-T66 VanDerWaalsContact OD1-CB 3.29Å; D62-T66 WeakPolarHBondContact OD1-CB 3.44Å; D62-T66 PolarHBondContact OD1-N 2.93Å; D62-T66 PolarHBondContact OD1-OG1 3.15Å; D62-T66 WeakPolarHBondContact OD2-CB 3.44Å; D62-T66 PolarHBondContact OD2-OG1 3.34Å; D62-L68 HydrophobicContact CB-CD1 3.92Å; D62-L68 HydrophobicContact CB-CD2 4.29Å; D62-L68 HydrophobicContact CB-CG 4.2Å; D62-R102 WeakPolarHBondContact O-CD 3.36Å; D62-R102 PolarHBondContact O-NH1 3.18Å; D62-V108 HydrophobicContact CB-CG2 4.34Å
63	D	93	Very high	95.9	Very high	56 Å²	56	30.8 Å²	30.8	30%	0.299	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-48.8	174.9	67.9	-46.5	0	0	0	109.7	G65 R289	D63-G65 PolarHBondContact O-N 2.78Å; D63-R289 WeakPolarHBondContact O-CD 3.16Å; D63-R289 PolarHBondContact O-NE 3.38Å; D63-R289 PolarHBondContact O-NH1 2.82Å; D63-R289 VanDerWaalsContact O-NH1 3.15Å; D63-R289 PolarHBondContact O-NH2 2.86Å; D63-R289 IonicContact OD2-NH2 3.51Å; D63-R289 PolarHBondContact OD2-NH2 3.36Å
64	N	92.8	Very high	96.3	Very high	98 Å²	98	30.5 Å²	30.5	52%	0.524	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-2.5	179.3	-58.4	-50.8	0	0	0	116.2	D62 T66	D62-N64 VanDerWaalsContact C-N 3.3Å; D62-N64 PolarHBondContact O-N 2.93Å; D62-N64 VanDerWaalsContact OD1-C 3.26Å; D62-N64 VanDerWaalsContact OD1-CA 3.27Å; D62-N64 WeakPolarHBondContact OD1-CA 3.42Å; D62-N64 WeakPolarHBondContact OD1-CB 3.43Å; D62-N64 PolarHBondContact OD1-N 2.95Å; N64-T66 VanDerWaalsContact C-N 3.29Å
65	G	93.3	Very high	96.5	Very high	10 Å²	10	29.7 Å²	29.7	10%	0.103	16%	0.161	C	C	.	.	S	Bend	trans	79	14.9	-177.7	0	0	0	0	0	113.3	L61 D62 D63 R289 D290	L61-G65 WeakPolarHBondContact CD2-O 3.1Å; D62-G65 PolarHBondContact O-N 2.67Å; D62-G65 PolarHBondContact OD1-N 2.94Å; D63-G65 PolarHBondContact O-N 2.78Å; G65-R289 WeakPolarHBondContact CA-O 3.32Å; G65-D290 WeakPolarHBondContact CA-OD1 3.23Å
66	T	94.6	Very high	96.5	Very high	34 Å²	34	28.5 Å²	28.5	21%	0.209	15%	0.152	C	C	.	.			trans	-76.1	127	172.1	-51.2	0	0	0	0	109.3	L61 D62 N64 L68 K77	L61-T66 CarbonylContact C-O 3.54Å; L61-T66 WeakPolarHBondContact CA-O 3.45Å; D62-T66 PolarHBondContact N-O 2.87Å; D62-T66 WeakPolarHBondContact OD1-CA 3.37Å; D62-T66 VanDerWaalsContact OD1-CB 3.29Å; D62-T66 WeakPolarHBondContact OD1-CB 3.44Å; D62-T66 PolarHBondContact OD1-N 2.93Å; D62-T66 PolarHBondContact OD1-OG1 3.15Å; D62-T66 WeakPolarHBondContact OD2-CB 3.44Å; D62-T66 PolarHBondContact OD2-OG1 3.34Å; N64-T66 VanDerWaalsContact C-N 3.29Å; T66-L68 HydrophobicContact CG2-CD2 4.5Å; T66-K77 HydrophobicContact CG2-CB 4.05Å
67	M	95.7	Very high	96.3	Very high	32 Å²	32	29.7 Å²	29.7	16%	0.158	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	133.9	169.2	-67.9	-179.1	-172.7	0	0	110.6	L61 F69 S78 W194 F228	L61-M67 HydrophobicContact CD2-CB 4.23Å; L61-M67 HydrophobicContact CD2-CG 3.48Å; L61-M67 VanDerWaalsContact CD2-CG 3.48Å; M67-F69 HydrophobicContact CB-CD2 4.34Å; M67-F69 HydrophobicContact CB-CE2 3.57Å; M67-F69 HydrophobicContact CB-CZ 4.12Å; M67-F69 HydrophobicContact CG-CE2 4.5Å; M67-F69 HydrophobicContact SD-CE2 4.24Å; M67-F69 HydrophobicContact SD-CZ 4.01Å; M67-S78 PolarHBondContact O-N 2.96Å; M67-W194 HydrophobicContact CE-CB 4.07Å; M67-W194 HydrophobicContact CE-CD2 3.35Å; M67-W194 HydrophobicContact CE-CE3 4.08Å; M67-W194 HydrophobicContact CE-CG 3.32Å; M67-W194 HydrophobicContact CE-CZ2 4.1Å; M67-W194 VanDerWaalsContact CE-NE1 3.33Å; M67-F228 HydrophobicContact CE-CD1 4.31Å; M67-F228 HydrophobicContact CE-CE1 4.33Å; M67-F228 HydrophobicContact SD-CD1 4.06Å
68	L	97.1	Very high	95.3	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.6	177.6	-53.1	-179.2	0	0	0	108.8	T59 T60 D62 T66 F70 V75 K77 W90	T59-L68 WeakPolarHBondContact CA-O 3.47Å; T60-L68 HydrophobicContact CG2-CB 4.19Å; T60-L68 HydrophobicContact CG2-CD1 3.89Å; T60-L68 HydrophobicContact CG2-CG 4.42Å; T60-L68 PolarHBondContact N-O 3.27Å; T60-L68 VanDerWaalsContact N-O 3.16Å; T60-L68 PolarHBondContact O-N 2.9Å; D62-L68 HydrophobicContact CB-CD1 3.92Å; D62-L68 HydrophobicContact CB-CD2 4.29Å; D62-L68 HydrophobicContact CB-CG 4.2Å; T66-L68 HydrophobicContact CG2-CD2 4.5Å; L68-F70 HydrophobicContact CB-CD2 4.41Å; L68-F70 HydrophobicContact CB-CE2 3.68Å; L68-F70 HydrophobicContact CB-CZ 3.99Å; L68-F70 HydrophobicContact CD1-CE2 4.12Å; L68-F70 HydrophobicContact CD1-CZ 3.85Å; L68-V75 HydrophobicContact CB-CG2 4.05Å; L68-V75 HydrophobicContact CD2-CG2 4.38Å; L68-K77 HydrophobicContact CD2-CB 4.44Å; L68-K77 HydrophobicContact CD2-CD 4.11Å; L68-K77 HydrophobicContact CD2-CG 3.72Å; L68-W90 HydrophobicContact CD1-CH2 4.03Å; L68-W90 HydrophobicContact CD1-CZ2 3.52Å; L68-W90 HydrophobicContact CD2-CH2 4.26Å; L68-W90 HydrophobicContact CD2-CZ2 4.38Å
69	F	97.6	Very high	94	Very high	4 Å²	4	37 Å²	37	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	112.3	175.8	-61.1	-93.7	0	0	0	108.8	F56 T59 M67 V75 W76 W81 F201 F228	F56-F69 HydrophobicContact CD1-CB 3.64Å; F56-F69 HydrophobicContact CD2-CB 4.25Å; F56-F69 AromaticContact CD2-CD1 3.76Å; F56-F69 HydrophobicContact CD2-CD1 3.76Å; F56-F69 HydrophobicContact CD2-CG 4.42Å; F56-F69 HydrophobicContact CE1-CB 3.56Å; F56-F69 HydrophobicContact CE1-CG 4.43Å; F56-F69 HydrophobicContact CE2-CB 4.19Å; F56-F69 AromaticContact CE2-CD1 3.79Å; F56-F69 HydrophobicContact CE2-CD1 3.79Å; F56-F69 HydrophobicContact CE2-CG 4.25Å; F56-F69 HydrophobicContact CG-CB 3.98Å; F56-F69 HydrophobicContact CG-CD1 4.22Å; F56-F69 HydrophobicContact CZ-CB 3.86Å; F56-F69 HydrophobicContact CZ-CD1 4.26Å; F56-F69 HydrophobicContact CZ-CG 4.25Å; T59-F69 HydrophobicContact CG2-CD1 3.45Å; T59-F69 VanDerWaalsContact CG2-CD1 3.45Å; T59-F69 HydrophobicContact CG2-CE1 3.91Å; T59-F69 HydrophobicContact CG2-CG 4.29Å; M67-F69 HydrophobicContact CB-CD2 4.34Å; M67-F69 HydrophobicContact CB-CE2 3.57Å; M67-F69 HydrophobicContact CB-CZ 4.12Å; M67-F69 HydrophobicContact CG-CE2 4.5Å; M67-F69 HydrophobicContact SD-CE2 4.24Å; M67-F69 HydrophobicContact SD-CZ 4.01Å; F69-V75 CarbonylContact O-C 3.6Å; F69-V75 WeakPolarHBondContact O-CA 3.29Å; F69-W76 HydrophobicContact CB-CB 4.43Å; F69-W76 PolarHBondContact N-O 2.67Å; F69-W76 PolarHBondContact O-N 3.43Å; F69-W81 HydrophobicContact CB-CH2 4.33Å; F69-W81 HydrophobicContact CB-CZ3 4.24Å; F69-W81 AromaticContact CD1-CH2 3.99Å; F69-W81 HydrophobicContact CD1-CH2 3.99Å; F69-W81 AromaticContact CD2-CH2 3.43Å; F69-W81 HydrophobicContact CD2-CH2 3.43Å; F69-W81 VanDerWaalsContact CD2-CH2 3.43Å; F69-W81 AromaticContact CD2-CZ2 3.89Å; F69-W81 HydrophobicContact CD2-CZ2 3.89Å; F69-W81 AromaticContact CD2-CZ3 3.9Å; F69-W81 HydrophobicContact CD2-CZ3 3.9Å; F69-W81 HydrophobicContact CE1-CH2 4.14Å; F69-W81 AromaticContact CE2-CH2 3.58Å; F69-W81 HydrophobicContact CE2-CH2 3.58Å; F69-W81 AromaticContact CE2-CZ2 3.6Å; F69-W81 HydrophobicContact CE2-CZ2 3.6Å; F69-W81 HydrophobicContact CE2-CZ3 4.44Å; F69-W81 AromaticContact CG-CH2 3.66Å; F69-W81 HydrophobicContact CG-CH2 3.66Å; F69-W81 HydrophobicContact CG-CZ3 4.04Å; F69-W81 AromaticContact CZ-CH2 3.95Å; F69-W81 HydrophobicContact CZ-CH2 3.95Å; F69-W81 HydrophobicContact CZ-CZ2 4.01Å; F69-F201 HydrophobicContact CE1-CZ 4.5Å; F69-F228 HydrophobicContact CE1-CB 4.37Å; F69-F228 HydrophobicContact CZ-CB 4.09Å
70	F	98.1	Very high	92.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	135.9	-175.2	-63.2	-85.6	0	0	0	111.2	F56 D57 A58 T60 L68 V75 I86 W90 V97 A100 L110	F56-F70 CarbonylContact C-O 3.44Å; F56-F70 WeakPolarHBondContact CA-O 3.44Å; D57-F70 PolarHBondContact N-O 3.41Å; A58-F70 HydrophobicContact CB-CB 4.23Å; A58-F70 HydrophobicContact CB-CD2 4.1Å; A58-F70 PolarHBondContact O-N 3.03Å; T60-F70 HydrophobicContact CG2-CE2 4.07Å; L68-F70 HydrophobicContact CB-CD2 4.41Å; L68-F70 HydrophobicContact CB-CE2 3.68Å; L68-F70 HydrophobicContact CB-CZ 3.99Å; L68-F70 HydrophobicContact CD1-CE2 4.12Å; L68-F70 HydrophobicContact CD1-CZ 3.85Å; F70-V75 HydrophobicContact CD1-CB 3.82Å; F70-V75 HydrophobicContact CD1-CG2 3.73Å; F70-V75 HydrophobicContact CE1-CB 3.91Å; F70-V75 HydrophobicContact CE1-CG2 3.64Å; F70-V75 HydrophobicContact CE2-CG2 4.5Å; F70-V75 HydrophobicContact CG-CG2 4.24Å; F70-V75 HydrophobicContact CZ-CG2 4.06Å; F70-I86 HydrophobicContact CD1-CD1 3.73Å; F70-I86 HydrophobicContact CD1-CG1 3.87Å; F70-I86 HydrophobicContact CE1-CD1 4.44Å; F70-I86 HydrophobicContact CE1-CG1 4.21Å; F70-W90 HydrophobicContact CE1-CD2 4.49Å; F70-W90 HydrophobicContact CE1-CE3 4.1Å; F70-W90 AromaticContact CE1-CH2 3.81Å; F70-W90 HydrophobicContact CE1-CH2 3.81Å; F70-W90 HydrophobicContact CE1-CZ2 4.25Å; F70-W90 AromaticContact CE1-CZ3 3.75Å; F70-W90 HydrophobicContact CE1-CZ3 3.75Å; F70-W90 AromaticContact CZ-CH2 3.93Å; F70-W90 HydrophobicContact CZ-CH2 3.93Å; F70-W90 AromaticContact CZ-CZ2 3.98Å; F70-W90 HydrophobicContact CZ-CZ2 3.98Å; F70-W90 HydrophobicContact CZ-CZ3 4.31Å; F70-V97 HydrophobicContact CB-CB 4.22Å; F70-V97 HydrophobicContact CB-CG2 4.09Å; F70-V97 HydrophobicContact CD1-CG2 3.8Å; F70-V97 HydrophobicContact CE1-CG2 4.36Å; F70-V97 HydrophobicContact CG-CB 4.38Å; F70-V97 HydrophobicContact CG-CG2 3.93Å; F70-A100 HydrophobicContact CE2-CB 4.24Å; F70-L110 HydrophobicContact CE1-CD2 4.42Å; F70-L110 HydrophobicContact CE2-CD2 4.1Å; F70-L110 HydrophobicContact CZ-CD2 3.82Å
71	K	97.6	Very high	92.3	Very high	63 Å²	63	45.6 Å²	45.6	27%	0.274	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	124.4	169.4	-177.3	56	162.9	-165.3	0	110.8	W54 S55 F56 D57 E73 F74 W76	W54-K71 HydrophobicContact CH2-CB 3.86Å; W54-K71 HydrophobicContact CH2-CG 3.44Å; W54-K71 VanDerWaalsContact CH2-CG 3.44Å; W54-K71 HydrophobicContact CZ2-CB 3.71Å; W54-K71 HydrophobicContact CZ2-CG 3.68Å; W54-K71 HydrophobicContact CZ3-CG 4.11Å; S55-K71 VanDerWaalsContact O-CD 3.24Å; S55-K71 WeakPolarHBondContact O-CD 3.28Å; S55-K71 WeakPolarHBondContact O-CE 3.38Å; S55-K71 PolarHBondContact O-NZ 3.05Å; F56-K71 HydrophobicContact CD1-CB 4.21Å; D57-K71 WeakPolarHBondContact OD1-CD 3.15Å; D57-K71 IonicContact OD1-NZ 2.98Å; D57-K71 PolarHBondContact OD1-NZ 2.81Å; D57-K71 WeakPolarHBondContact OD2-CA 3.29Å; D57-K71 WeakPolarHBondContact OD2-CD 3.45Å; K71-E73 PolarHBondContact O-N 2.99Å; K71-F74 PolarHBondContact N-O 3.42Å; K71-F74 PolarHBondContact O-N 3.38Å; K71-W76 HydrophobicContact CB-CH2 4.29Å; K71-W76 HydrophobicContact CB-CZ3 3.74Å
72	G	97	Very high	91.8	Very high	30 Å²	30	47.7 Å²	47.7	31%	0.309	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-124.9	-178.1	0	0	0	0	0	110.5	D57 I86 S95 P96	D57-G72 PolarHBondContact OD2-N 2.81Å; G72-I86 WeakPolarHBondContact O-CD1 3.46Å; G72-S95 WeakPolarHBondContact O-CB 3.44Å; G72-P96 WeakPolarHBondContact O-CA 3.35Å
73	E	97.3	Very high	91.8	Very high	130 Å²	130	52.5 Å²	52.5	61%	0.607	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	1.5	179.3	-57	-173.2	100.5	0	0	114.2	K71 L85 I86	K71-E73 PolarHBondContact O-N 2.99Å; E73-L85 HydrophobicContact CB-CD2 4.39Å; E73-I86 WeakPolarHBondContact O-CG1 3.48Å; E73-I86 PolarHBondContact O-N 2.01Å
74	F	97.1	Very high	91.8	Very high	69 Å²	69	52.7 Å²	52.7	30%	0.303	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	156.6	-171.3	-61.5	-79	0	0	0	112.9	K71 W76 R83 E84 L85	K71-F74 PolarHBondContact N-O 3.42Å; K71-F74 PolarHBondContact O-N 3.38Å; F74-W76 HydrophobicContact CB-CE3 4.4Å; F74-W76 HydrophobicContact CB-CH2 3.67Å; F74-W76 HydrophobicContact CB-CZ2 4.46Å; F74-W76 HydrophobicContact CB-CZ3 3.6Å; F74-W76 HydrophobicContact CG-CH2 4.44Å; F74-R83 HydrophobicContact CB-CG 4.02Å; F74-R83 HydrophobicContact CD1-CG 3.83Å; F74-R83 HydrophobicContact CG-CG 4.14Å; F74-E84 CarbonylContact C-O 3.54Å; F74-E84 VanDerWaalsContact CA-O 3.31Å; F74-E84 WeakPolarHBondContact CA-O 3.27Å; F74-L85 HydrophobicContact CD1-CD2 3.84Å; F74-L85 HydrophobicContact CD1-CG 4.33Å; F74-L85 HydrophobicContact CE1-CD2 3.44Å; F74-L85 VanDerWaalsContact CE1-CD2 3.44Å; F74-L85 HydrophobicContact CE1-CG 4.01Å; F74-L85 HydrophobicContact CZ-CD2 3.96Å
75	V	97.3	Very high	92	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.5	167.7	67.7	0	0	0	0	109.6	L68 F69 F70 K77 R83 E84 I86 W90	L68-V75 HydrophobicContact CB-CG2 4.05Å; L68-V75 HydrophobicContact CD2-CG2 4.38Å; F69-V75 CarbonylContact O-C 3.6Å; F69-V75 WeakPolarHBondContact O-CA 3.29Å; F70-V75 HydrophobicContact CD1-CB 3.82Å; F70-V75 HydrophobicContact CD1-CG2 3.73Å; F70-V75 HydrophobicContact CE1-CB 3.91Å; F70-V75 HydrophobicContact CE1-CG2 3.64Å; F70-V75 HydrophobicContact CE2-CG2 4.5Å; F70-V75 HydrophobicContact CG-CG2 4.24Å; F70-V75 HydrophobicContact CZ-CG2 4.06Å; V75-K77 HydrophobicContact CG1-CD 4.42Å; V75-K77 HydrophobicContact CG1-CG 4.11Å; V75-K77 HydrophobicContact CG2-CG 4.23Å; V75-R83 WeakPolarHBondContact O-CA 3.34Å; V75-E84 HydrophobicContact CG1-CB 4.07Å; V75-E84 PolarHBondContact N-O 2.89Å; V75-E84 PolarHBondContact O-N 2.84Å; V75-I86 HydrophobicContact CB-CG1 4.29Å; V75-W90 HydrophobicContact CB-CH2 4.24Å; V75-W90 HydrophobicContact CB-CZ3 4Å; V75-W90 HydrophobicContact CG1-CH2 3.83Å; V75-W90 HydrophobicContact CG1-CZ3 3.51Å; V75-W90 HydrophobicContact CG2-CH2 4Å; V75-W90 HydrophobicContact CG2-CZ3 4.26Å
76	W	96	Very high	92.1	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.015	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.5	167.4	-69.5	-104	0	0	0	109.3	D45 R49 W54 F56 F69 K71 F74 W81 A82 R83	D45-W76 VanDerWaalsContact OD1-CZ2 3.28Å; D45-W76 WeakPolarHBondContact OD1-CZ2 3.38Å; D45-W76 PolarHBondContact OD1-NE1 3.01Å; D45-W76 VanDerWaalsContact OD1-NE1 3.11Å; D45-W76 PolarHBondContact OD2-NE1 2.77Å; R49-W76 VanDerWaalsContact CD-CE2 3.43Å; R49-W76 VanDerWaalsContact CD-NE1 3.31Å; R49-W76 HydrophobicContact CG-CZ2 4.26Å; R49-W76 VanDerWaalsContact NE-CD1 3.33Å; W54-W76 AromaticContact CH2-CH2 3.84Å; W54-W76 HydrophobicContact CH2-CH2 3.84Å; W54-W76 HydrophobicContact CH2-CZ2 4.31Å; W54-W76 HydrophobicContact CH2-CZ3 4.38Å; W54-W76 HydrophobicContact CZ2-CH2 4.1Å; W54-W76 HydrophobicContact CZ2-CZ3 4.25Å; F56-W76 HydrophobicContact CE1-CE3 4.18Å; F69-W76 HydrophobicContact CB-CB 4.43Å; F69-W76 PolarHBondContact N-O 2.67Å; F69-W76 PolarHBondContact O-N 3.43Å; K71-W76 HydrophobicContact CB-CH2 4.29Å; K71-W76 HydrophobicContact CB-CZ3 3.74Å; F74-W76 HydrophobicContact CB-CE3 4.4Å; F74-W76 HydrophobicContact CB-CH2 3.67Å; F74-W76 HydrophobicContact CB-CZ2 4.46Å; F74-W76 HydrophobicContact CB-CZ3 3.6Å; F74-W76 HydrophobicContact CG-CH2 4.44Å; W76-W81 HydrophobicContact CB-CE3 3.53Å; W76-W81 HydrophobicContact CB-CZ3 3.79Å; W76-W81 AromaticContact CD1-CE3 3.98Å; W76-W81 AromaticContact CG-CE3 3.92Å; W76-W81 HydrophobicContact CG-CE3 3.92Å; W76-W81 HydrophobicContact CG-CZ3 4.28Å; W76-A82 WeakPolarHBondContact CA-O 3.29Å; W76-R83 HydrophobicContact CD2-CG 4.28Å; W76-R83 HydrophobicContact CH2-CG 4.4Å; W76-R83 HydrophobicContact CZ2-CG 3.83Å
77	K	92.2	Very high	92.1	Very high	28 Å²	28	51.9 Å²	51.9	12%	0.122	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	146.2	-173.8	-57.2	-175.5	179.4	169.4	0	111.9	T66 L68 V75 W81 A82 E84 T89	T66-K77 HydrophobicContact CG2-CB 4.05Å; L68-K77 HydrophobicContact CD2-CB 4.44Å; L68-K77 HydrophobicContact CD2-CD 4.11Å; L68-K77 HydrophobicContact CD2-CG 3.72Å; V75-K77 HydrophobicContact CG1-CD 4.42Å; V75-K77 HydrophobicContact CG1-CG 4.11Å; V75-K77 HydrophobicContact CG2-CG 4.23Å; K77-W81 WeakPolarHBondContact O-CA 3.15Å; K77-W81 PolarHBondContact O-N 3.34Å; K77-A82 PolarHBondContact N-O 2.98Å; K77-A82 PolarHBondContact O-N 3.19Å; K77-A82 VanDerWaalsContact O-N 3.17Å; K77-E84 WeakPolarHBondContact CE-OE2 3.48Å; K77-E84 IonicContact NZ-OE1 2.73Å; K77-E84 IonicContact NZ-OE2 3.42Å; K77-E84 PolarHBondContact NZ-OE2 2.83Å; K77-T89 PolarHBondContact NZ-OG1 3.43Å
78	S	77.3	Confident	91.9	Very high	45 Å²	45	55.3 Å²	55.3	32%	0.315	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	176.9	167.4	-165.9	0	0	0	0	114.5	M67 K80 W81	M67-S78 PolarHBondContact O-N 2.96Å; S78-K80 PolarHBondContact O-N 2.78Å; S78-W81 PolarHBondContact O-N 3.35Å; S78-W81 VanDerWaalsContact O-N 3.1Å
79	H	70.8	Confident	91.6	Very high	148 Å²	148	58.2 Å²	58.2	69%	0.685	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.9	174.2	63	-85	0	0	0	112.9	W81	H79-W81 VanDerWaalsContact C-N 3.29Å
80	K	77	Confident	91.4	Very high	165 Å²	165	58.6 Å²	58.6	72%	0.717	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-11.2	176.1	-61.7	-172.5	179.2	179	0	113.2	S78 A82	S78-K80 PolarHBondContact O-N 2.78Å; K80-A82 PolarHBondContact O-N 3.35Å
81	W	84.7	Confident	91	Very high	18 Å²	18	64.4 Å²	64.4	7%	0.068	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	41.6	-179.2	-75.8	78.6	0	0	0	112.9	F56 F69 W76 K77 S78 H79 R83 F228 M229 P230	F56-W81 HydrophobicContact CE1-CZ3 4.32Å; F56-W81 HydrophobicContact CE2-CH2 4.21Å; F56-W81 HydrophobicContact CE2-CZ3 4.34Å; F56-W81 AromaticContact CZ-CH2 3.92Å; F56-W81 HydrophobicContact CZ-CH2 3.92Å; F56-W81 AromaticContact CZ-CZ3 3.6Å; F56-W81 HydrophobicContact CZ-CZ3 3.6Å; F69-W81 HydrophobicContact CB-CH2 4.33Å; F69-W81 HydrophobicContact CB-CZ3 4.24Å; F69-W81 AromaticContact CD1-CH2 3.99Å; F69-W81 HydrophobicContact CD1-CH2 3.99Å; F69-W81 AromaticContact CD2-CH2 3.43Å; F69-W81 HydrophobicContact CD2-CH2 3.43Å; F69-W81 VanDerWaalsContact CD2-CH2 3.43Å; F69-W81 AromaticContact CD2-CZ2 3.89Å; F69-W81 HydrophobicContact CD2-CZ2 3.89Å; F69-W81 AromaticContact CD2-CZ3 3.9Å; F69-W81 HydrophobicContact CD2-CZ3 3.9Å; F69-W81 HydrophobicContact CE1-CH2 4.14Å; F69-W81 AromaticContact CE2-CH2 3.58Å; F69-W81 HydrophobicContact CE2-CH2 3.58Å; F69-W81 AromaticContact CE2-CZ2 3.6Å; F69-W81 HydrophobicContact CE2-CZ2 3.6Å; F69-W81 HydrophobicContact CE2-CZ3 4.44Å; F69-W81 AromaticContact CG-CH2 3.66Å; F69-W81 HydrophobicContact CG-CH2 3.66Å; F69-W81 HydrophobicContact CG-CZ3 4.04Å; F69-W81 AromaticContact CZ-CH2 3.95Å; F69-W81 HydrophobicContact CZ-CH2 3.95Å; F69-W81 HydrophobicContact CZ-CZ2 4.01Å; W76-W81 HydrophobicContact CB-CE3 3.53Å; W76-W81 HydrophobicContact CB-CZ3 3.79Å; W76-W81 AromaticContact CD1-CE3 3.98Å; W76-W81 AromaticContact CG-CE3 3.92Å; W76-W81 HydrophobicContact CG-CE3 3.92Å; W76-W81 HydrophobicContact CG-CZ3 4.28Å; K77-W81 WeakPolarHBondContact O-CA 3.15Å; K77-W81 PolarHBondContact O-N 3.34Å; S78-W81 PolarHBondContact O-N 3.35Å; S78-W81 VanDerWaalsContact O-N 3.1Å; H79-W81 VanDerWaalsContact C-N 3.29Å; W81-R83 PolarHBondContact O-N 2.8Å; W81-F228 WeakPolarHBondContact CZ2-O 3.37Å; W81-M229 HydrophobicContact CD2-CG 4.18Å; W81-M229 HydrophobicContact CE3-CG 4.14Å; W81-M229 HydrophobicContact CE3-SD 4.24Å; W81-M229 HydrophobicContact CH2-CB 3.64Å; W81-M229 HydrophobicContact CH2-CG 3.65Å; W81-M229 HydrophobicContact CH2-SD 3.77Å; W81-M229 HydrophobicContact CZ2-CB 3.49Å; W81-M229 VanDerWaalsContact CZ2-CB 3.49Å; W81-M229 HydrophobicContact CZ2-CG 3.73Å; W81-M229 HydrophobicContact CZ2-SD 4.46Å; W81-M229 HydrophobicContact CZ3-CB 4.38Å; W81-M229 HydrophobicContact CZ3-CG 3.89Å; W81-M229 HydrophobicContact CZ3-SD 3.67Å; W81-P230 VanDerWaalsContact CE2-CD 3.48Å; W81-P230 HydrophobicContact CG-CG 4.02Å
82	A	87.6	Confident	90.5	Very high	44 Å²	44	68.4 Å²	68.4	36%	0.364	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	125.9	177.1	0	0	0	0	0	109.5	W76 K77 K80	W76-A82 WeakPolarHBondContact CA-O 3.29Å; K77-A82 PolarHBondContact N-O 2.98Å; K77-A82 PolarHBondContact O-N 3.19Å; K77-A82 VanDerWaalsContact O-N 3.17Å; K80-A82 PolarHBondContact O-N 3.35Å
83	R	93.4	Very high	90.4	Very high	123 Å²	123	67.8 Å²	67.8	46%	0.464	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	128.8	176.2	-172.7	178.1	70.2	-167.4	11.2	110.5	D45 F74 V75 W76 W81	D45-R83 VanDerWaalsContact OD1-CD 3.31Å; D45-R83 WeakPolarHBondContact OD1-CD 3.35Å; D45-R83 IonicContact OD1-CZ 3.57Å; D45-R83 IonicContact OD1-NE 2.91Å; D45-R83 IonicContact OD1-NH1 3.22Å; D45-R83 PolarHBondContact OD1-NH1 3.04Å; F74-R83 HydrophobicContact CB-CG 4.02Å; F74-R83 HydrophobicContact CD1-CG 3.83Å; F74-R83 HydrophobicContact CG-CG 4.14Å; V75-R83 WeakPolarHBondContact O-CA 3.34Å; W76-R83 HydrophobicContact CD2-CG 4.28Å; W76-R83 HydrophobicContact CH2-CG 4.4Å; W76-R83 HydrophobicContact CZ2-CG 3.83Å; W81-R83 PolarHBondContact O-N 2.8Å
84	E	94.1	Very high	90	Very high	61 Å²	61	65.6 Å²	65.6	29%	0.285	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156.7	177.8	-66.5	174.9	-153.5	0	0	110.6	F74 V75 K77	F74-E84 CarbonylContact C-O 3.54Å; F74-E84 VanDerWaalsContact CA-O 3.31Å; F74-E84 WeakPolarHBondContact CA-O 3.27Å; V75-E84 HydrophobicContact CG1-CB 4.07Å; V75-E84 PolarHBondContact N-O 2.89Å; V75-E84 PolarHBondContact O-N 2.84Å; K77-E84 WeakPolarHBondContact CE-OE2 3.48Å; K77-E84 IonicContact NZ-OE1 2.73Å; K77-E84 IonicContact NZ-OE2 3.42Å; K77-E84 PolarHBondContact NZ-OE2 2.83Å
85	L	95.8	Very high	89.9	Confident	60 Å²	60	63.5 Å²	63.5	31%	0.314	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	137	170.6	-76.3	168	0	0	0	109.7	E73 F74 S87 E88	E73-L85 HydrophobicContact CB-CD2 4.39Å; F74-L85 HydrophobicContact CD1-CD2 3.84Å; F74-L85 HydrophobicContact CD1-CG 4.33Å; F74-L85 HydrophobicContact CE1-CD2 3.44Å; F74-L85 VanDerWaalsContact CE1-CD2 3.44Å; F74-L85 HydrophobicContact CE1-CG 4.01Å; F74-L85 HydrophobicContact CZ-CD2 3.96Å; L85-S87 PolarHBondContact O-N 2.87Å; L85-E88 HydrophobicContact CB-CG 3.9Å; L85-E88 PolarHBondContact N-OE2 3.38Å; L85-E88 WeakPolarHBondContact O-CB 3.34Å; L85-E88 PolarHBondContact O-N 3.48Å
86	I	96.7	Very high	89.8	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-58.3	-38.3	177	-65.3	169.1	0	0	0	110.3	F70 G72 E73 V75 E88 T89 W90 F93 V97	F70-I86 HydrophobicContact CD1-CD1 3.73Å; F70-I86 HydrophobicContact CD1-CG1 3.87Å; F70-I86 HydrophobicContact CE1-CD1 4.44Å; F70-I86 HydrophobicContact CE1-CG1 4.21Å; G72-I86 WeakPolarHBondContact O-CD1 3.46Å; E73-I86 WeakPolarHBondContact O-CG1 3.48Å; E73-I86 PolarHBondContact O-N 2.01Å; V75-I86 HydrophobicContact CB-CG1 4.29Å; I86-E88 PolarHBondContact O-N 2.84Å; I86-T89 PolarHBondContact O-N 2.94Å; I86-W90 HydrophobicContact CB-CE3 4.26Å; I86-W90 HydrophobicContact CG2-CB 4.25Å; I86-W90 HydrophobicContact CG2-CD2 4.46Å; I86-W90 HydrophobicContact CG2-CE3 3.76Å; I86-W90 VanDerWaalsContact O-CE3 3.32Å; I86-W90 PolarHBondContact O-N 2.75Å; I86-F93 HydrophobicContact CG2-CB 4.42Å; I86-F93 HydrophobicContact CG2-CD1 3.59Å; I86-F93 HydrophobicContact CG2-CE1 4.29Å; I86-F93 HydrophobicContact CG2-CG 4.3Å; I86-V97 HydrophobicContact CD1-CG2 4.07Å
87	S	93.7	Very high	90	Very high	64 Å²	64	66 Å²	66	45%	0.448	34%	0.34	S	S	.	.	H	α-helix	trans	-67	-13	178.7	61.1	0	0	0	0	114.5	L85 K91	L85-S87 PolarHBondContact O-N 2.87Å; S87-K91 VanDerWaalsContact O-CD 3.23Å; S87-K91 WeakPolarHBondContact O-CD 2.98Å; S87-K91 PolarHBondContact O-NZ 2.81Å
88	E	91.9	Very high	90.3	Very high	104 Å²	104	66.4 Å²	66.4	49%	0.486	34%	0.344	S	S	.	.	H	α-helix	trans	-73.9	-44.9	174.6	-74	170.2	176.2	0	0	111.2	L85 I86 K91	L85-E88 HydrophobicContact CB-CG 3.9Å; L85-E88 PolarHBondContact N-OE2 3.38Å; L85-E88 WeakPolarHBondContact O-CB 3.34Å; L85-E88 PolarHBondContact O-N 3.48Å; I86-E88 PolarHBondContact O-N 2.84Å; E88-K91 WeakPolarHBondContact O-CE 3.4Å; E88-K91 PolarHBondContact O-NZ 3.17Å
89	T	90.6	Very high	91.3	Very high	63 Å²	63	64.3 Å²	64.3	39%	0.387	33%	0.329	S	S	.	.	H	α-helix	trans	-93.8	-48.4	-178.5	-57.6	0	0	0	0	112.3	K77 I86 K91	K77-T89 PolarHBondContact NZ-OG1 3.43Å; I86-T89 PolarHBondContact O-N 2.94Å; T89-K91 PolarHBondContact O-N 2.84Å
90	W	93.1	Very high	92.6	Very high	11 Å²	11	57.3 Å²	57.3	4%	0.042	30%	0.297	C	S	.	.	S	Bend	trans	-100.2	81.3	-176.2	-57.2	-85.9	0	0	0	109.7	L68 F70 V75 I86 F93 L110 Y119	L68-W90 HydrophobicContact CD1-CH2 4.03Å; L68-W90 HydrophobicContact CD1-CZ2 3.52Å; L68-W90 HydrophobicContact CD2-CH2 4.26Å; L68-W90 HydrophobicContact CD2-CZ2 4.38Å; F70-W90 HydrophobicContact CE1-CD2 4.49Å; F70-W90 HydrophobicContact CE1-CE3 4.1Å; F70-W90 AromaticContact CE1-CH2 3.81Å; F70-W90 HydrophobicContact CE1-CH2 3.81Å; F70-W90 HydrophobicContact CE1-CZ2 4.25Å; F70-W90 AromaticContact CE1-CZ3 3.75Å; F70-W90 HydrophobicContact CE1-CZ3 3.75Å; F70-W90 AromaticContact CZ-CH2 3.93Å; F70-W90 HydrophobicContact CZ-CH2 3.93Å; F70-W90 AromaticContact CZ-CZ2 3.98Å; F70-W90 HydrophobicContact CZ-CZ2 3.98Å; F70-W90 HydrophobicContact CZ-CZ3 4.31Å; V75-W90 HydrophobicContact CB-CH2 4.24Å; V75-W90 HydrophobicContact CB-CZ3 4Å; V75-W90 HydrophobicContact CG1-CH2 3.83Å; V75-W90 HydrophobicContact CG1-CZ3 3.51Å; V75-W90 HydrophobicContact CG2-CH2 4Å; V75-W90 HydrophobicContact CG2-CZ3 4.26Å; I86-W90 HydrophobicContact CB-CE3 4.26Å; I86-W90 HydrophobicContact CG2-CB 4.25Å; I86-W90 HydrophobicContact CG2-CD2 4.46Å; I86-W90 HydrophobicContact CG2-CE3 3.76Å; I86-W90 VanDerWaalsContact O-CE3 3.32Å; I86-W90 PolarHBondContact O-N 2.75Å; W90-F93 HydrophobicContact CB-CB 4.21Å; W90-F93 WeakPolarHBondContact O-CB 3.31Å; W90-F93 PolarHBondContact O-N 2.82Å; W90-L110 HydrophobicContact CB-CD1 3.94Å; W90-L110 HydrophobicContact CD2-CD1 4.18Å; W90-L110 HydrophobicContact CG-CD1 3.67Å; W90-Y119 HydrophobicContact CB-CD1 4.45Å; W90-Y119 HydrophobicContact CB-CD2 4.38Å; W90-Y119 HydrophobicContact CB-CE1 4.08Å; W90-Y119 HydrophobicContact CB-CE2 3.96Å; W90-Y119 AromaticContact CD1-CD2 3.47Å; W90-Y119 VanDerWaalsContact CD1-CD2 3.47Å; W90-Y119 AromaticContact CD1-CE2 3.91Å; W90-Y119 AromaticContact CD1-CG 3.52Å; W90-Y119 HydrophobicContact CG-CD2 4.27Å; W90-Y119 HydrophobicContact CG-CE2 4.3Å; W90-Y119 HydrophobicContact CG-CG 4.43Å
91	K	90	Very high	93.6	Very high	123 Å²	123	49.5 Å²	49.5	54%	0.535	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	143.2	179.9	-59.5	-48.4	-168.6	-162.4	0	111.2	S87 E88 T89 F93 Y119	S87-K91 VanDerWaalsContact O-CD 3.23Å; S87-K91 WeakPolarHBondContact O-CD 2.98Å; S87-K91 PolarHBondContact O-NZ 2.81Å; E88-K91 WeakPolarHBondContact O-CE 3.4Å; E88-K91 PolarHBondContact O-NZ 3.17Å; T89-K91 PolarHBondContact O-N 2.84Å; K91-F93 PolarHBondContact O-N 2.86Å; K91-Y119 WeakPolarHBondContact O-CE1 3.39Å; K91-Y119 PolarHBondContact O-OH 3.49Å
92	N	88.4	Confident	94.2	Very high	147 Å²	147	48.7 Å²	48.7	79%	0.786	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	18	178.1	-50.4	-32.4	0	0	0	114.9	W117	N92-W117 PolarHBondContact O-NE1 3.46Å
93	F	92.9	Very high	94.3	Very high	16 Å²	16	48.9 Å²	48.9	7%	0.07	25%	0.253	C	S	.	.			trans	-84	146.4	167.3	-172.3	-100.6	0	0	0	110.3	I86 W90 K91 V97 L110 K112 W117	I86-F93 HydrophobicContact CG2-CB 4.42Å; I86-F93 HydrophobicContact CG2-CD1 3.59Å; I86-F93 HydrophobicContact CG2-CE1 4.29Å; I86-F93 HydrophobicContact CG2-CG 4.3Å; W90-F93 HydrophobicContact CB-CB 4.21Å; W90-F93 WeakPolarHBondContact O-CB 3.31Å; W90-F93 PolarHBondContact O-N 2.82Å; K91-F93 PolarHBondContact O-N 2.86Å; F93-V97 HydrophobicContact CD1-CG2 4.45Å; F93-V97 HydrophobicContact CE1-CB 4.39Å; F93-V97 HydrophobicContact CE1-CG2 3.45Å; F93-V97 VanDerWaalsContact CE1-CG2 3.45Å; F93-V97 HydrophobicContact CZ-CB 4.21Å; F93-V97 HydrophobicContact CZ-CG1 4.41Å; F93-V97 HydrophobicContact CZ-CG2 3.63Å; F93-L110 HydrophobicContact CD1-CD1 4.45Å; F93-L110 HydrophobicContact CD2-CB 3.92Å; F93-L110 HydrophobicContact CD2-CD1 3.9Å; F93-L110 HydrophobicContact CE2-CB 3.49Å; F93-L110 VanDerWaalsContact CE2-CB 3.49Å; F93-L110 HydrophobicContact CE2-CD1 4.12Å; F93-L110 HydrophobicContact CE2-CG 4.47Å; F93-L110 HydrophobicContact CG-CD1 4.09Å; F93-L110 HydrophobicContact CZ-CB 4.11Å; F93-L110 HydrophobicContact CZ-CD1 4.47Å; F93-K112 HydrophobicContact CZ-CB 4.27Å; F93-W117 HydrophobicContact CD2-CB 4.27Å; F93-W117 AromaticContact CD2-CD2 3.7Å; F93-W117 HydrophobicContact CD2-CD2 3.7Å; F93-W117 AromaticContact CD2-CE3 3.92Å; F93-W117 HydrophobicContact CD2-CE3 3.92Å; F93-W117 AromaticContact CD2-CG 3.88Å; F93-W117 HydrophobicContact CD2-CG 3.88Å; F93-W117 AromaticContact CE2-CD2 4Å; F93-W117 HydrophobicContact CE2-CD2 4Å; F93-W117 AromaticContact CE2-CE3 3.7Å; F93-W117 HydrophobicContact CE2-CE3 3.7Å; F93-W117 HydrophobicContact CE2-CG 4.49Å; F93-W117 HydrophobicContact CE2-CZ3 4.1Å
94	T	90.8	Very high	93.9	Very high	84 Å²	84	45 Å²	45	52%	0.515	25%	0.252	S	S	.	.			trans	-112.8	108.8	175.5	-50.1	0	0	0	0	109.3	K112	T94-K112 WeakPolarHBondContact O-CD 3.27Å; T94-K112 PolarHBondContact O-NZ 3.28Å
95	S	93.3	Very high	93.4	Very high	25 Å²	25	45.6 Å²	45.6	18%	0.175	25%	0.254	C	S	.	.	S	Bend	trans	-67.2	159.5	179.6	-56	0	0	0	0	114.3	G72 K112	G72-S95 WeakPolarHBondContact O-CB 3.44Å; S95-K112 PolarHBondContact O-NZ 2.98Å
96	P	96.8	Very high	93	Very high	55 Å²	55	49.7 Å²	49.7	36%	0.357	27%	0.27	S	S	.	.	S	Bend	cis	-75.6	171.8	-4.3	33.3	-36.5	0	0	0	113.3	G72 K112	G72-P96 WeakPolarHBondContact O-CA 3.35Å; P96-K112 WeakPolarHBondContact O-CD 3.09Å
97	V	98.5	Very high	92.8	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-93.4	127.7	175.3	-174.3	0	0	0	0	108.8	D57 A58 F70 I86 F93 A99 A100 L110	D57-V97 WeakPolarHBondContact CB-O 2.9Å; A58-V97 HydrophobicContact CB-CB 3.95Å; A58-V97 HydrophobicContact CB-CG1 3.57Å; F70-V97 HydrophobicContact CB-CB 4.22Å; F70-V97 HydrophobicContact CB-CG2 4.09Å; F70-V97 HydrophobicContact CD1-CG2 3.8Å; F70-V97 HydrophobicContact CE1-CG2 4.36Å; F70-V97 HydrophobicContact CG-CB 4.38Å; F70-V97 HydrophobicContact CG-CG2 3.93Å; I86-V97 HydrophobicContact CD1-CG2 4.07Å; F93-V97 HydrophobicContact CD1-CG2 4.45Å; F93-V97 HydrophobicContact CE1-CB 4.39Å; F93-V97 HydrophobicContact CE1-CG2 3.45Å; F93-V97 VanDerWaalsContact CE1-CG2 3.45Å; F93-V97 HydrophobicContact CZ-CB 4.21Å; F93-V97 HydrophobicContact CZ-CG1 4.41Å; F93-V97 HydrophobicContact CZ-CG2 3.63Å; V97-A99 WeakPolarHBondContact CG1-O 3.16Å; V97-A100 HydrophobicContact CG1-CB 4.27Å; V97-L110 HydrophobicContact CG1-CB 4.5Å; V97-L110 HydrophobicContact CG1-CD2 4.22Å
98	D	98.7	Very high	93	Very high	38 Å²	38	47.3 Å²	47.3	20%	0.203	25%	0.253	C	S	.	.	S	Bend	trans	-85.4	-38.4	178.1	-70.6	-0.9	0	0	0	111.6	I111 G113 L143 D144	D98-I111 PolarHBondContact N-O 2.98Å; D98-G113 PolarHBondContact OD2-N 3.44Å; D98-L143 WeakPolarHBondContact CB-O 2.77Å; D98-D144 CarbonylContact O-C 3.59Å
99	A	98.8	Very high	93.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	150.9	175.9	0	0	0	0	0	110.9	V97 I111 L143 A146	V97-A99 WeakPolarHBondContact CG1-O 3.16Å; A99-I111 HydrophobicContact CB-CB 4.27Å; A99-I111 HydrophobicContact CB-CD1 4.38Å; A99-I111 PolarHBondContact N-O 3.24Å; A99-I111 PolarHBondContact O-N 2.84Å; A99-L143 HydrophobicContact CB-CB 4.11Å; A99-A146 HydrophobicContact CB-CB 3.92Å
100	A	98.7	Very high	93.6	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.017	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	149.9	176.5	0	0	0	0	0	111	A58 T60 F70 V97 F109 L110	A58-A100 HydrophobicContact CB-CB 4Å; T60-A100 HydrophobicContact CG2-CB 3.88Å; F70-A100 HydrophobicContact CE2-CB 4.24Å; V97-A100 HydrophobicContact CG1-CB 4.27Å; A100-F109 WeakPolarHBondContact CA-O 3.42Å; A100-L110 HydrophobicContact CB-CD2 3.81Å
101	F	98.4	Very high	93.9	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	165.6	170.9	66.2	-88.5	0	0	0	110.4	T60 H103 F109 I111 F136 A146 I159 F161	T60-F101 VanDerWaalsContact OG1-CA 3.31Å; T60-F101 WeakPolarHBondContact OG1-CA 3.36Å; F101-H103 HydrophobicContact CE2-CB 4.2Å; F101-F109 HydrophobicContact CD1-CB 3.84Å; F101-F109 HydrophobicContact CD2-CB 4.18Å; F101-F109 HydrophobicContact CD2-CD2 4.32Å; F101-F109 HydrophobicContact CD2-CG 4.28Å; F101-F109 HydrophobicContact CE1-CB 3.49Å; F101-F109 VanDerWaalsContact CE1-CB 3.49Å; F101-F109 HydrophobicContact CE1-CD1 4.05Å; F101-F109 AromaticContact CE1-CG 3.9Å; F101-F109 HydrophobicContact CE1-CG 3.9Å; F101-F109 HydrophobicContact CE2-CB 3.84Å; F101-F109 AromaticContact CE2-CD1 3.95Å; F101-F109 HydrophobicContact CE2-CD1 3.95Å; F101-F109 AromaticContact CE2-CD2 3.71Å; F101-F109 HydrophobicContact CE2-CD2 3.71Å; F101-F109 HydrophobicContact CE2-CE1 4.46Å; F101-F109 HydrophobicContact CE2-CE2 4.28Å; F101-F109 AromaticContact CE2-CG 3.55Å; F101-F109 HydrophobicContact CE2-CG 3.55Å; F101-F109 HydrophobicContact CG-CB 4.18Å; F101-F109 HydrophobicContact CZ-CB 3.48Å; F101-F109 VanDerWaalsContact CZ-CB 3.48Å; F101-F109 AromaticContact CZ-CD1 3.37Å; F101-F109 HydrophobicContact CZ-CD1 3.37Å; F101-F109 AromaticContact CZ-CD2 3.98Å; F101-F109 HydrophobicContact CZ-CD2 3.98Å; F101-F109 HydrophobicContact CZ-CE1 4.08Å; F101-F109 AromaticContact CZ-CG 3.33Å; F101-F109 HydrophobicContact CZ-CG 3.33Å; F101-F109 PolarHBondContact N-O 2.91Å; F101-F109 VanDerWaalsContact N-O 3.17Å; F101-F109 PolarHBondContact O-N 2.85Å; F101-I111 HydrophobicContact CE1-CD1 4.17Å; F101-F136 HydrophobicContact CZ-CE2 4.42Å; F101-F136 AromaticContact CZ-CZ 3.96Å; F101-F136 HydrophobicContact CZ-CZ 3.96Å; F101-A146 HydrophobicContact CB-CB 4.34Å; F101-A146 HydrophobicContact CD1-CB 3.69Å; F101-A146 HydrophobicContact CE1-CB 4.49Å; F101-A146 HydrophobicContact CG-CB 4.41Å; F101-I159 HydrophobicContact CD1-CG2 4.2Å; F101-I159 HydrophobicContact CD2-CD1 4.33Å; F101-I159 HydrophobicContact CD2-CG1 4.23Å; F101-I159 HydrophobicContact CD2-CG2 4.44Å; F101-I159 HydrophobicContact CE1-CD1 4.28Å; F101-I159 HydrophobicContact CE1-CG2 4.23Å; F101-I159 HydrophobicContact CE2-CD1 3.47Å; F101-I159 VanDerWaalsContact CE2-CD1 3.47Å; F101-I159 HydrophobicContact CE2-CG1 3.84Å; F101-I159 HydrophobicContact CE2-CG2 4.48Å; F101-I159 HydrophobicContact CG-CG2 4.31Å; F101-I159 HydrophobicContact CZ-CD1 3.44Å; F101-I159 VanDerWaalsContact CZ-CD1 3.44Å; F101-I159 HydrophobicContact CZ-CG1 4.16Å; F101-I159 HydrophobicContact CZ-CG2 4.37Å; F101-F161 HydrophobicContact CE1-CE1 4.24Å; F101-F161 HydrophobicContact CE1-CZ 4.47Å
102	R	96.3	Very high	94.3	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.5	177.7	-174.9	178.8	63.5	173	-0.5	110.9	T60 L61 D62 H105 S107 E148 D290	T60-R102 PolarHBondContact OG1-N 3.25Å; L61-R102 WeakPolarHBondContact O-CB 3.47Å; L61-R102 WeakPolarHBondContact O-CD 3.01Å; D62-R102 WeakPolarHBondContact O-CD 3.36Å; D62-R102 PolarHBondContact O-NH1 3.18Å; R102-H105 PolarHBondContact NH2-ND1 3.23Å; R102-S107 CarbonylContact C-O 3.49Å; R102-S107 WeakPolarHBondContact CA-O 3.43Å; R102-E148 PolarHBondContact N-OE2 3.22Å; R102-E148 WeakPolarHBondContact O-CB 3.47Å; R102-E148 WeakPolarHBondContact O-CG 3.34Å; R102-D290 IonicContact CZ-OD1 3.43Å; R102-D290 VanDerWaalsContact CZ-OD1 3.28Å; R102-D290 IonicContact CZ-OD2 3.04Å; R102-D290 IonicContact NH1-OD1 3.08Å; R102-D290 PolarHBondContact NH1-OD1 2.96Å; R102-D290 IonicContact NH2-OD1 2.98Å; R102-D290 PolarHBondContact NH2-OD1 3.25Å; R102-D290 IonicContact NH2-OD2 3.96Å; R102-D290 PolarHBondContact NH2-OD2 2.96Å
103	H	90	Very high	94.7	Very high	47 Å²	47	29.7 Å²	29.7	22%	0.218	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.6	175.8	-174.7	-152.2	0	0	0	112	F101 H105 K106 S107 F109 E122	F101-H103 HydrophobicContact CE2-CB 4.2Å; H103-H105 PolarHBondContact O-N 3.1Å; H103-H105 VanDerWaalsContact O-N 3.11Å; H103-K106 PolarHBondContact O-N 2.78Å; H103-S107 PolarHBondContact N-O 3.11Å; H103-S107 PolarHBondContact O-N 2.97Å; H103-S107 VanDerWaalsContact O-N 3.1Å; H103-F109 HydrophobicContact CB-CD2 4.2Å; H103-F109 HydrophobicContact CB-CE2 3.76Å; H103-E122 IonicContact ND1-OE1 2.73Å
104	G	84.9	Confident	94.9	Very high	43 Å²	43	32.7 Å²	32.7	44%	0.443	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	19.9	176.9	0	0	0	0	0	114.4	K106	G104-K106 WeakPolarHBondContact O-CG 3.16Å; G104-K106 PolarHBondContact O-N 3.17Å; G104-K106 VanDerWaalsContact O-N 3.08Å
105	H	83.2	Confident	95.3	Very high	72 Å²	72	33 Å²	33	33%	0.333	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	21.9	-172.1	-59.2	-84.5	0	0	0	114.5	R102 H103 H150 R289	R102-H105 PolarHBondContact NH2-ND1 3.23Å; H103-H105 PolarHBondContact O-N 3.1Å; H103-H105 VanDerWaalsContact O-N 3.11Å; H105-H150 AromaticContact CE1-NE2 3.96Å; H105-H150 AromaticContact NE2-NE2 3.9Å; H105-R289 PolarHBondContact O-NH1 2.87Å
106	K	88	Confident	95.5	Very high	147 Å²	147	31.9 Å²	31.9	64%	0.639	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134.3	-39.4	-172.9	-73	177.5	-175.9	176.9	0	113	H103 G104 P120	H103-K106 PolarHBondContact O-N 2.78Å; G104-K106 WeakPolarHBondContact O-CG 3.16Å; G104-K106 PolarHBondContact O-N 3.17Å; G104-K106 VanDerWaalsContact O-N 3.08Å; K106-P120 VanDerWaalsContact O-CD 3.28Å; K106-P120 WeakPolarHBondContact O-CD 3.22Å
107	S	92.7	Very high	95.4	Very high	10 Å²	10	29.9 Å²	29.9	7%	0.07	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.1	-172.6	-67.4	0	0	0	0	110.7	R102 H103 Y119 P120	R102-S107 CarbonylContact C-O 3.49Å; R102-S107 WeakPolarHBondContact CA-O 3.43Å; H103-S107 PolarHBondContact N-O 3.11Å; H103-S107 PolarHBondContact O-N 2.97Å; H103-S107 VanDerWaalsContact O-N 3.1Å; S107-Y119 CarbonylContact C-O 3.56Å; S107-Y119 WeakPolarHBondContact CA-O 3.21Å; S107-P120 PolarHBondContact OG-O 3.3Å
108	V	96.5	Very high	95.3	Very high	4 Å²	4	30 Å²	30	2%	0.024	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.3	171.6	-179.1	0	0	0	0	108.4	T60 D62 L110 V118 Y119	T60-V108 HydrophobicContact CG2-CG1 4.01Å; D62-V108 HydrophobicContact CB-CG2 4.34Å; V108-L110 HydrophobicContact CG1-CD2 3.91Å; V108-L110 HydrophobicContact CG1-CG 4.4Å; V108-V118 WeakPolarHBondContact O-CA 3.31Å; V108-Y119 PolarHBondContact N-O 3.49Å; V108-Y119 PolarHBondContact O-N 2.74Å
109	F	97.3	Very high	95	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.009	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.9	175.2	-75.2	-116.7	0	0	0	108	A100 F101 H103 V116 W117 V118 F136	A100-F109 WeakPolarHBondContact CA-O 3.42Å; F101-F109 HydrophobicContact CD1-CB 3.84Å; F101-F109 HydrophobicContact CD2-CB 4.18Å; F101-F109 HydrophobicContact CD2-CD2 4.32Å; F101-F109 HydrophobicContact CD2-CG 4.28Å; F101-F109 HydrophobicContact CE1-CB 3.49Å; F101-F109 VanDerWaalsContact CE1-CB 3.49Å; F101-F109 HydrophobicContact CE1-CD1 4.05Å; F101-F109 AromaticContact CE1-CG 3.9Å; F101-F109 HydrophobicContact CE1-CG 3.9Å; F101-F109 HydrophobicContact CE2-CB 3.84Å; F101-F109 AromaticContact CE2-CD1 3.95Å; F101-F109 HydrophobicContact CE2-CD1 3.95Å; F101-F109 AromaticContact CE2-CD2 3.71Å; F101-F109 HydrophobicContact CE2-CD2 3.71Å; F101-F109 HydrophobicContact CE2-CE1 4.46Å; F101-F109 HydrophobicContact CE2-CE2 4.28Å; F101-F109 AromaticContact CE2-CG 3.55Å; F101-F109 HydrophobicContact CE2-CG 3.55Å; F101-F109 HydrophobicContact CG-CB 4.18Å; F101-F109 HydrophobicContact CZ-CB 3.48Å; F101-F109 VanDerWaalsContact CZ-CB 3.48Å; F101-F109 AromaticContact CZ-CD1 3.37Å; F101-F109 HydrophobicContact CZ-CD1 3.37Å; F101-F109 AromaticContact CZ-CD2 3.98Å; F101-F109 HydrophobicContact CZ-CD2 3.98Å; F101-F109 HydrophobicContact CZ-CE1 4.08Å; F101-F109 AromaticContact CZ-CG 3.33Å; F101-F109 HydrophobicContact CZ-CG 3.33Å; F101-F109 PolarHBondContact N-O 2.91Å; F101-F109 VanDerWaalsContact N-O 3.17Å; F101-F109 PolarHBondContact O-N 2.85Å; H103-F109 HydrophobicContact CB-CD2 4.2Å; H103-F109 HydrophobicContact CB-CE2 3.76Å; F109-V116 HydrophobicContact CD1-CG1 3.91Å; F109-W117 WeakPolarHBondContact CA-O 3.48Å; F109-V118 HydrophobicContact CD1-CG2 3.41Å; F109-V118 VanDerWaalsContact CD1-CG2 3.41Å; F109-V118 HydrophobicContact CD2-CG1 4.21Å; F109-V118 HydrophobicContact CD2-CG2 4.16Å; F109-V118 HydrophobicContact CE1-CG1 4.46Å; F109-V118 HydrophobicContact CE1-CG2 3.3Å; F109-V118 HydrophobicContact CE2-CG1 3.78Å; F109-V118 HydrophobicContact CE2-CG2 4.03Å; F109-V118 HydrophobicContact CG-CG2 3.84Å; F109-V118 HydrophobicContact CZ-CB 4.48Å; F109-V118 HydrophobicContact CZ-CG1 3.93Å; F109-V118 HydrophobicContact CZ-CG2 3.61Å; F109-F136 HydrophobicContact CD1-CZ 4.47Å; F109-F136 HydrophobicContact CE1-CZ 4.34Å
110	L	98.3	Very high	94.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.5	172	-57.2	-176.7	0	0	0	108.6	F70 W90 F93 V97 A100 V108 W117 Y119	F70-L110 HydrophobicContact CE1-CD2 4.42Å; F70-L110 HydrophobicContact CE2-CD2 4.1Å; F70-L110 HydrophobicContact CZ-CD2 3.82Å; W90-L110 HydrophobicContact CB-CD1 3.94Å; W90-L110 HydrophobicContact CD2-CD1 4.18Å; W90-L110 HydrophobicContact CG-CD1 3.67Å; F93-L110 HydrophobicContact CD1-CD1 4.45Å; F93-L110 HydrophobicContact CD2-CB 3.92Å; F93-L110 HydrophobicContact CD2-CD1 3.9Å; F93-L110 HydrophobicContact CE2-CB 3.49Å; F93-L110 VanDerWaalsContact CE2-CB 3.49Å; F93-L110 HydrophobicContact CE2-CD1 4.12Å; F93-L110 HydrophobicContact CE2-CG 4.47Å; F93-L110 HydrophobicContact CG-CD1 4.09Å; F93-L110 HydrophobicContact CZ-CB 4.11Å; F93-L110 HydrophobicContact CZ-CD1 4.47Å; V97-L110 HydrophobicContact CG1-CB 4.5Å; V97-L110 HydrophobicContact CG1-CD2 4.22Å; A100-L110 HydrophobicContact CB-CD2 3.81Å; V108-L110 HydrophobicContact CG1-CD2 3.91Å; V108-L110 HydrophobicContact CG1-CG 4.4Å; L110-W117 PolarHBondContact N-O 3.39Å; L110-W117 PolarHBondContact O-N 3.07Å; L110-Y119 HydrophobicContact CD1-CD2 4.25Å; L110-Y119 HydrophobicContact CD1-CE2 3.95Å; L110-Y119 HydrophobicContact CG-CD2 4.36Å; L110-Y119 HydrophobicContact CG-CE2 4.33Å
111	I	98.6	Very high	93.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.8	-179.1	-53.2	-179.6	0	0	0	108.8	D98 A99 F101 K115 V116 L132 L143 F161	D98-I111 PolarHBondContact N-O 2.98Å; A99-I111 HydrophobicContact CB-CB 4.27Å; A99-I111 HydrophobicContact CB-CD1 4.38Å; A99-I111 PolarHBondContact N-O 3.24Å; A99-I111 PolarHBondContact O-N 2.84Å; F101-I111 HydrophobicContact CE1-CD1 4.17Å; I111-K115 WeakPolarHBondContact CA-O 3.2Å; I111-V116 HydrophobicContact CG1-CG2 4.33Å; I111-L132 HydrophobicContact CD1-CD1 4.11Å; I111-L132 HydrophobicContact CG2-CD1 4.17Å; I111-L143 HydrophobicContact CD1-CD1 3.82Å; I111-L143 HydrophobicContact CG2-CD1 4.34Å; I111-F161 HydrophobicContact CD1-CE1 3.92Å
112	K	98.4	Very high	92.7	Very high	53 Å²	53	40.3 Å²	40.3	23%	0.23	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	126.3	167.7	178.3	-178.7	-174.9	-177.9	0	110.3	F93 T94 S95 P96 D114 K115 W117	F93-K112 HydrophobicContact CZ-CB 4.27Å; T94-K112 WeakPolarHBondContact O-CD 3.27Å; T94-K112 PolarHBondContact O-NZ 3.28Å; S95-K112 PolarHBondContact O-NZ 2.98Å; P96-K112 WeakPolarHBondContact O-CD 3.09Å; K112-D114 PolarHBondContact O-N 2.86Å; K112-K115 PolarHBondContact N-O 3.2Å; K112-K115 PolarHBondContact O-N 3.45Å; K112-W117 HydrophobicContact CB-CZ3 4Å
113	G	98.1	Very high	91.4	Very high	23 Å²	23	50.7 Å²	50.7	24%	0.237	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	-121.1	-175	0	0	0	0	0	110.2	D98 S141	D98-G113 PolarHBondContact OD2-N 3.44Å; G113-S141 WeakPolarHBondContact O-CB 3.43Å
114	D	97.8	Very high	90.4	Very high	78 Å²	78	58.3 Å²	58.3	42%	0.417	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	14.4	179.2	68.1	-22.9	0	0	0	113.6	K112 L131 L132	K112-D114 PolarHBondContact O-N 2.86Å; D114-L131 CarbonylContact O-C 3.59Å; D114-L131 VanDerWaalsContact O-CA 3.31Å; D114-L131 WeakPolarHBondContact O-CA 3.38Å; D114-L132 PolarHBondContact O-N 3.33Å
115	K	97.7	Very high	89.8	Confident	92 Å²	92	58.3 Å²	58.3	40%	0.4	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145.7	-176	-72.2	174.8	-174	177	0	112.8	I111 K112 W117 P129 K130	I111-K115 WeakPolarHBondContact CA-O 3.2Å; K112-K115 PolarHBondContact N-O 3.2Å; K112-K115 PolarHBondContact O-N 3.45Å; K115-W117 HydrophobicContact CB-CE3 4.11Å; K115-W117 HydrophobicContact CB-CH2 3.41Å; K115-W117 VanDerWaalsContact CB-CH2 3.41Å; K115-W117 HydrophobicContact CB-CZ2 4.38Å; K115-W117 HydrophobicContact CB-CZ3 3.25Å; K115-W117 HydrophobicContact CD-CH2 3.85Å; K115-W117 HydrophobicContact CD-CZ2 4.41Å; K115-W117 HydrophobicContact CG-CH2 4.27Å; K115-W117 WeakPolarHBondContact O-CZ3 3.15Å; K115-P129 HydrophobicContact CB-CB 4.06Å; K115-P129 HydrophobicContact CD-CB 4.25Å; K115-P129 HydrophobicContact CD-CG 4.13Å; K115-P129 HydrophobicContact CG-CB 4.32Å; K115-K130 CarbonylContact C-O 3.49Å; K115-K130 VanDerWaalsContact CA-O 3.32Å; K115-K130 WeakPolarHBondContact CA-O 3.4Å
116	V	97.1	Very high	89.5	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.9	178.9	-174.9	0	0	0	0	109.1	F109 I111 V118 Y128 P129 K130 L132 F136	F109-V116 HydrophobicContact CD1-CG1 3.91Å; I111-V116 HydrophobicContact CG1-CG2 4.33Å; V116-V118 HydrophobicContact CG1-CG2 4.3Å; V116-Y128 VanDerWaalsContact O-CD1 3.29Å; V116-Y128 WeakPolarHBondContact O-CD1 3.37Å; V116-P129 VanDerWaalsContact O-CA 3.27Å; V116-P129 WeakPolarHBondContact O-CA 3.5Å; V116-K130 PolarHBondContact N-O 2.76Å; V116-K130 PolarHBondContact O-N 3.07Å; V116-L132 HydrophobicContact CG2-CB 4.2Å; V116-L132 HydrophobicContact CG2-CD1 3.54Å; V116-L132 HydrophobicContact CG2-CG 4.5Å; V116-F136 HydrophobicContact CG2-CE2 4.49Å
117	W	96.2	Very high	89.3	Confident	13 Å²	13	60.1 Å²	60.1	5%	0.049	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	147.2	169.6	-67.4	-112.4	0	0	0	109.8	N92 F93 F109 L110 K112 K115 Y119 P129	N92-W117 PolarHBondContact O-NE1 3.46Å; F93-W117 HydrophobicContact CD2-CB 4.27Å; F93-W117 AromaticContact CD2-CD2 3.7Å; F93-W117 HydrophobicContact CD2-CD2 3.7Å; F93-W117 AromaticContact CD2-CE3 3.92Å; F93-W117 HydrophobicContact CD2-CE3 3.92Å; F93-W117 AromaticContact CD2-CG 3.88Å; F93-W117 HydrophobicContact CD2-CG 3.88Å; F93-W117 AromaticContact CE2-CD2 4Å; F93-W117 HydrophobicContact CE2-CD2 4Å; F93-W117 AromaticContact CE2-CE3 3.7Å; F93-W117 HydrophobicContact CE2-CE3 3.7Å; F93-W117 HydrophobicContact CE2-CG 4.49Å; F93-W117 HydrophobicContact CE2-CZ3 4.1Å; F109-W117 WeakPolarHBondContact CA-O 3.48Å; L110-W117 PolarHBondContact N-O 3.39Å; L110-W117 PolarHBondContact O-N 3.07Å; K112-W117 HydrophobicContact CB-CZ3 4Å; K115-W117 HydrophobicContact CB-CE3 4.11Å; K115-W117 HydrophobicContact CB-CH2 3.41Å; K115-W117 VanDerWaalsContact CB-CH2 3.41Å; K115-W117 HydrophobicContact CB-CZ2 4.38Å; K115-W117 HydrophobicContact CB-CZ3 3.25Å; K115-W117 HydrophobicContact CD-CH2 3.85Å; K115-W117 HydrophobicContact CD-CZ2 4.41Å; K115-W117 HydrophobicContact CG-CH2 4.27Å; K115-W117 WeakPolarHBondContact O-CZ3 3.15Å; W117-Y119 HydrophobicContact CB-CD2 4.21Å; W117-Y119 HydrophobicContact CB-CE2 3.39Å; W117-Y119 VanDerWaalsContact CD1-OH 3.24Å; W117-Y119 HydrophobicContact CG-CE2 4.21Å; W117-P129 HydrophobicContact CD2-CB 3.73Å; W117-P129 VanDerWaalsContact CE2-CB 3.45Å; W117-P129 HydrophobicContact CE3-CB 4.17Å; W117-P129 HydrophobicContact CG-CB 4.23Å; W117-P129 HydrophobicContact CH2-CB 4.07Å; W117-P129 HydrophobicContact CH2-CG 4.4Å; W117-P129 HydrophobicContact CZ2-CB 3.64Å; W117-P129 HydrophobicContact CZ2-CG 3.7Å; W117-P129 HydrophobicContact CZ3-CB 4.32Å
118	V	94.9	Very high	89	Confident	4 Å²	4	62 Å²	62	2%	0.024	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130.5	-179.2	-179.3	0	0	0	0	110.8	V108 F109 V116 P120 Y128	V108-V118 WeakPolarHBondContact O-CA 3.31Å; F109-V118 HydrophobicContact CD1-CG2 3.41Å; F109-V118 VanDerWaalsContact CD1-CG2 3.41Å; F109-V118 HydrophobicContact CD2-CG1 4.21Å; F109-V118 HydrophobicContact CD2-CG2 4.16Å; F109-V118 HydrophobicContact CE1-CG1 4.46Å; F109-V118 HydrophobicContact CE1-CG2 3.3Å; F109-V118 HydrophobicContact CE2-CG1 3.78Å; F109-V118 HydrophobicContact CE2-CG2 4.03Å; F109-V118 HydrophobicContact CG-CG2 3.84Å; F109-V118 HydrophobicContact CZ-CB 4.48Å; F109-V118 HydrophobicContact CZ-CG1 3.93Å; F109-V118 HydrophobicContact CZ-CG2 3.61Å; V116-V118 HydrophobicContact CG1-CG2 4.3Å; V118-P120 CarbonylContact O-C 3.59Å; V118-Y128 HydrophobicContact CB-CD1 4.44Å; V118-Y128 HydrophobicContact CB-CE1 3.82Å; V118-Y128 HydrophobicContact CB-CE2 3.94Å; V118-Y128 HydrophobicContact CG2-CD1 4.32Å; V118-Y128 HydrophobicContact CG2-CE1 3.42Å; V118-Y128 VanDerWaalsContact CG2-CE1 3.42Å; V118-Y128 HydrophobicContact CG2-CE2 4.33Å; V118-Y128 VanDerWaalsContact CG2-CZ 3.41Å; V118-Y128 WeakPolarHBondContact CG2-OH 3.17Å
119	Y	93.5	Very high	88.9	Confident	41 Å²	41	64.5 Å²	64.5	16%	0.161	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	121.7	-172.1	-62.2	-87.8	0	0	0	112.7	W90 K91 S107 V108 L110 W117	W90-Y119 HydrophobicContact CB-CD1 4.45Å; W90-Y119 HydrophobicContact CB-CD2 4.38Å; W90-Y119 HydrophobicContact CB-CE1 4.08Å; W90-Y119 HydrophobicContact CB-CE2 3.96Å; W90-Y119 AromaticContact CD1-CD2 3.47Å; W90-Y119 VanDerWaalsContact CD1-CD2 3.47Å; W90-Y119 AromaticContact CD1-CE2 3.91Å; W90-Y119 AromaticContact CD1-CG 3.52Å; W90-Y119 HydrophobicContact CG-CD2 4.27Å; W90-Y119 HydrophobicContact CG-CE2 4.3Å; W90-Y119 HydrophobicContact CG-CG 4.43Å; K91-Y119 WeakPolarHBondContact O-CE1 3.39Å; K91-Y119 PolarHBondContact O-OH 3.49Å; S107-Y119 CarbonylContact C-O 3.56Å; S107-Y119 WeakPolarHBondContact CA-O 3.21Å; V108-Y119 PolarHBondContact N-O 3.49Å; V108-Y119 PolarHBondContact O-N 2.74Å; L110-Y119 HydrophobicContact CD1-CD2 4.25Å; L110-Y119 HydrophobicContact CD1-CE2 3.95Å; L110-Y119 HydrophobicContact CG-CD2 4.36Å; L110-Y119 HydrophobicContact CG-CE2 4.33Å; W117-Y119 HydrophobicContact CB-CD2 4.21Å; W117-Y119 HydrophobicContact CB-CE2 3.39Å; W117-Y119 VanDerWaalsContact CD1-OH 3.24Å; W117-Y119 HydrophobicContact CG-CE2 4.21Å
120	P	90.3	Very high	88.8	Confident	81 Å²	81	66.9 Å²	66.9	53%	0.526	34%	0.341	S	S	.	.	S	Bend	cis	-62.4	154.7	-18.6	30.9	-34	0	0	0	110.1	K106 S107 V118 E122	K106-P120 VanDerWaalsContact O-CD 3.28Å; K106-P120 WeakPolarHBondContact O-CD 3.22Å; S107-P120 PolarHBondContact OG-O 3.3Å; V118-P120 CarbonylContact O-C 3.59Å; P120-E122 PolarHBondContact O-N 3.35Å
121	P	79.5	Confident	88.7	Confident	74 Å²	74	70.4 Å²	70.4	48%	0.481	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-59.2	138.2	175.1	24.4	-32.7	0	0	0	109.8	Y128	P121-Y128 HydrophobicContact CB-CD2 4.09Å; P121-Y128 HydrophobicContact CB-CE2 4.11Å
122	E	76.8	Confident	88.7	Confident	61 Å²	61	70.4 Å²	70.4	29%	0.285	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-59.9	141	175.4	-67	-179.5	-176.9	0	0	109.7	H103 P120 K124 E125	H103-E122 IonicContact ND1-OE1 2.73Å; P120-E122 PolarHBondContact O-N 3.35Å; E122-K124 PolarHBondContact O-N 2.84Å; E122-E125 HydrophobicContact CB-CG 4.45Å; E122-E125 PolarHBondContact O-N 3.15Å
123	K	70.3	Confident	88.6	Confident	219 Å²	219	71.8 Å²	71.8	95%	0.952	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-24.5	-169.1	-72	-175.5	176.8	-177.4	0	115.3
124	K	68.8	Low	88.5	Confident	207 Å²	207	76.3 Å²	76.3	90%	0.9	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-8.5	-178.7	-65.3	-175.2	178.6	-178.9	0	113.8	E122	E122-K124 PolarHBondContact O-N 2.84Å
125	E	71.4	Confident	88.4	Confident	44 Å²	44	74.8 Å²	74.8	21%	0.206	38%	0.375	C	S	.	.			trans	-109.7	120.1	-173.7	-62.7	-159.1	176.8	0	0	111.4	E122 Y128 K130 K135	E122-E125 HydrophobicContact CB-CG 4.45Å; E122-E125 PolarHBondContact O-N 3.15Å; E125-Y128 HydrophobicContact CB-CE2 3.94Å; E125-Y128 PolarHBondContact OE2-OH 2.87Å; E125-K130 IonicContact OE1-NZ 3.87Å; E125-K130 IonicContact OE2-NZ 2.8Å; E125-K130 PolarHBondContact OE2-NZ 2.03Å; E125-K135 IonicContact OE1-NZ 2.71Å; E125-K135 PolarHBondContact OE1-NZ 2.82Å; E125-K135 WeakPolarHBondContact OE2-CE 3.36Å; E125-K135 IonicContact OE2-NZ 3.43Å; E125-K135 PolarHBondContact OE2-NZ 3.26Å
126	K	76.9	Confident	88.4	Confident	192 Å²	192	70.6 Å²	70.6	84%	0.835	36%	0.357	S	S	*	.			trans	-114	164.1	172	-64	-177	-179.7	-179.6	0	109.8
127	G	83.8	Confident	88.4	Confident	65 Å²	65	74.1 Å²	74.1	67%	0.67	38%	0.379	S	S	*	.	S	Bend	trans	82.9	43.6	169.3	0	0	0	0	0	115.3
128	Y	87.9	Confident	88.5	Confident	50 Å²	50	75.6 Å²	75.6	20%	0.196	40%	0.399	C	S	.	.	S	Bend	trans	-79.4	145.5	170.4	-77.1	-78.1	0	0	0	111.5	V116 V118 P121 E125 K130	V116-Y128 VanDerWaalsContact O-CD1 3.29Å; V116-Y128 WeakPolarHBondContact O-CD1 3.37Å; V118-Y128 HydrophobicContact CB-CD1 4.44Å; V118-Y128 HydrophobicContact CB-CE1 3.82Å; V118-Y128 HydrophobicContact CB-CE2 3.94Å; V118-Y128 HydrophobicContact CG2-CD1 4.32Å; V118-Y128 HydrophobicContact CG2-CE1 3.42Å; V118-Y128 VanDerWaalsContact CG2-CE1 3.42Å; V118-Y128 HydrophobicContact CG2-CE2 4.33Å; V118-Y128 VanDerWaalsContact CG2-CZ 3.41Å; V118-Y128 WeakPolarHBondContact CG2-OH 3.17Å; P121-Y128 HydrophobicContact CB-CD2 4.09Å; P121-Y128 HydrophobicContact CB-CE2 4.11Å; E125-Y128 HydrophobicContact CB-CE2 3.94Å; E125-Y128 PolarHBondContact OE2-OH 2.87Å; Y128-K130 HydrophobicContact CD1-CB 4.38Å; Y128-K130 HydrophobicContact CD1-CD 4.35Å; Y128-K130 HydrophobicContact CD1-CG 3.93Å; Y128-K130 HydrophobicContact CE1-CB 4.34Å; Y128-K130 HydrophobicContact CE1-CD 3.86Å; Y128-K130 HydrophobicContact CE1-CG 3.92Å
129	P	94.3	Very high	88.6	Confident	55 Å²	55	75.4 Å²	75.4	36%	0.357	40%	0.397	S	S	.	.	S	Bend	cis	-71.8	150.9	1.5	26	-32.1	0	0	0	114.6	K115 V116 W117	K115-P129 HydrophobicContact CB-CB 4.06Å; K115-P129 HydrophobicContact CD-CB 4.25Å; K115-P129 HydrophobicContact CD-CG 4.13Å; K115-P129 HydrophobicContact CG-CB 4.32Å; V116-P129 VanDerWaalsContact O-CA 3.27Å; V116-P129 WeakPolarHBondContact O-CA 3.5Å; W117-P129 HydrophobicContact CD2-CB 3.73Å; W117-P129 VanDerWaalsContact CE2-CB 3.45Å; W117-P129 HydrophobicContact CE3-CB 4.17Å; W117-P129 HydrophobicContact CG-CB 4.23Å; W117-P129 HydrophobicContact CH2-CB 4.07Å; W117-P129 HydrophobicContact CH2-CG 4.4Å; W117-P129 HydrophobicContact CZ2-CB 3.64Å; W117-P129 HydrophobicContact CZ2-CG 3.7Å; W117-P129 HydrophobicContact CZ3-CB 4.32Å
130	K	94.5	Very high	88.8	Confident	52 Å²	52	74.9 Å²	74.9	23%	0.226	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	157.6	170.6	-66.8	-176.3	176.2	-176.3	0	110.5	K115 V116 E125 Y128	K115-K130 CarbonylContact C-O 3.49Å; K115-K130 VanDerWaalsContact CA-O 3.32Å; K115-K130 WeakPolarHBondContact CA-O 3.4Å; V116-K130 PolarHBondContact N-O 2.76Å; V116-K130 PolarHBondContact O-N 3.07Å; E125-K130 IonicContact OE1-NZ 3.87Å; E125-K130 IonicContact OE2-NZ 2.8Å; E125-K130 PolarHBondContact OE2-NZ 2.03Å; Y128-K130 HydrophobicContact CD1-CB 4.38Å; Y128-K130 HydrophobicContact CD1-CD 4.35Å; Y128-K130 HydrophobicContact CD1-CG 3.93Å; Y128-K130 HydrophobicContact CE1-CB 4.34Å; Y128-K130 HydrophobicContact CE1-CD 3.86Å; Y128-K130 HydrophobicContact CE1-CG 3.92Å
131	L	96.9	Very high	89.1	Confident	75 Å²	75	73.3 Å²	73.3	39%	0.393	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	140.8	172.4	-63.3	172.9	0	0	0	110.6	D114 Q133 D134 K135	D114-L131 CarbonylContact O-C 3.59Å; D114-L131 VanDerWaalsContact O-CA 3.31Å; D114-L131 WeakPolarHBondContact O-CA 3.38Å; L131-Q133 PolarHBondContact O-N 3.37Å; L131-D134 HydrophobicContact CB-CB 4.33Å; L131-D134 PolarHBondContact O-N 3.13Å; L131-D134 VanDerWaalsContact O-N 3.1Å; L131-K135 PolarHBondContact O-N 3.45Å
132	L	97.6	Very high	90	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-58.1	-40.3	175.5	-173.9	72.6	0	0	0	110.3	I111 D114 V116 D134 K135 F136 I139 P140 L143	I111-L132 HydrophobicContact CD1-CD1 4.11Å; I111-L132 HydrophobicContact CG2-CD1 4.17Å; D114-L132 PolarHBondContact O-N 3.33Å; V116-L132 HydrophobicContact CG2-CB 4.2Å; V116-L132 HydrophobicContact CG2-CD1 3.54Å; V116-L132 HydrophobicContact CG2-CG 4.5Å; L132-D134 VanDerWaalsContact C-N 3.29Å; L132-D134 PolarHBondContact O-N 2.74Å; L132-K135 PolarHBondContact O-N 2.85Å; L132-F136 HydrophobicContact CD1-CD2 3.84Å; L132-F136 CarbonylContact O-C 3.55Å; L132-F136 WeakPolarHBondContact O-CA 3.37Å; L132-F136 PolarHBondContact O-N 2.54Å; L132-I139 HydrophobicContact CD2-CG2 4.24Å; L132-P140 WeakPolarHBondContact CD2-O 3.42Å; L132-L143 HydrophobicContact CD1-CD1 4.46Å; L132-L143 HydrophobicContact CD2-CD1 4.28Å
133	Q	97.6	Very high	91	Very high	82 Å²	82	70.7 Å²	70.7	38%	0.383	38%	0.378	S	S	.	.	H	α-helix	trans	-66.9	-26.8	177.9	-61.4	-52.7	-42.2	0	0	113.5	L131 P137 I139	L131-Q133 PolarHBondContact O-N 3.37Å; Q133-P137 VanDerWaalsContact O-CA 3.3Å; Q133-P137 WeakPolarHBondContact O-CA 3.48Å; Q133-P137 WeakPolarHBondContact O-CD 3.44Å; Q133-P137 VanDerWaalsContact O-CG 3.26Å; Q133-P137 WeakPolarHBondContact O-CG 3.23Å; Q133-I139 PolarHBondContact NE2-O 2.93Å
134	D	95.8	Very high	92.4	Very high	118 Å²	118	63.3 Å²	63.3	63%	0.631	35%	0.349	S	S	*	.	H	α-helix	trans	-77.2	-36.4	176.8	-63.6	-18.2	0	0	0	111.2	L131 L132	L131-D134 HydrophobicContact CB-CB 4.33Å; L131-D134 PolarHBondContact O-N 3.13Å; L131-D134 VanDerWaalsContact O-N 3.1Å; L132-D134 VanDerWaalsContact C-N 3.29Å; L132-D134 PolarHBondContact O-N 2.74Å
135	K	94.9	Very high	93.8	Very high	46 Å²	46	53.5 Å²	53.5	20%	0.2	31%	0.307	C	S	.	.	H	α-helix	trans	-84.8	-38.4	-178.6	-114.2	-65.2	-164.4	-157.9	0	112.6	E125 L131 L132	E125-K135 IonicContact OE1-NZ 2.71Å; E125-K135 PolarHBondContact OE1-NZ 2.82Å; E125-K135 WeakPolarHBondContact OE2-CE 3.36Å; E125-K135 IonicContact OE2-NZ 3.43Å; E125-K135 PolarHBondContact OE2-NZ 3.26Å; L131-K135 PolarHBondContact O-N 3.45Å; L132-K135 PolarHBondContact O-N 2.85Å
136	F	97.4	Very high	95.1	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.018	30%	0.297	C	S	.	.	S	Bend	trans	-137.3	68.3	-175.4	-52.1	-69	0	0	0	111.1	F101 F109 V116 L132 G138 I139 I159 F161 W170	F101-F136 HydrophobicContact CZ-CE2 4.42Å; F101-F136 AromaticContact CZ-CZ 3.96Å; F101-F136 HydrophobicContact CZ-CZ 3.96Å; F109-F136 HydrophobicContact CD1-CZ 4.47Å; F109-F136 HydrophobicContact CE1-CZ 4.34Å; V116-F136 HydrophobicContact CG2-CE2 4.49Å; L132-F136 HydrophobicContact CD1-CD2 3.84Å; L132-F136 CarbonylContact O-C 3.55Å; L132-F136 WeakPolarHBondContact O-CA 3.37Å; L132-F136 PolarHBondContact O-N 2.54Å; F136-G138 PolarHBondContact O-N 3.42Å; F136-I139 HydrophobicContact CB-CB 4.12Å; F136-I139 HydrophobicContact CB-CG1 3.75Å; F136-I139 WeakPolarHBondContact O-CB 3.29Å; F136-I139 PolarHBondContact O-N 3.04Å; F136-I139 VanDerWaalsContact O-N 3.14Å; F136-I159 HydrophobicContact CE1-CD1 3.57Å; F136-I159 HydrophobicContact CZ-CD1 3.81Å; F136-F161 HydrophobicContact CB-CE2 4.45Å; F136-F161 HydrophobicContact CD1-CE2 4.16Å; F136-F161 HydrophobicContact CD1-CZ 4.09Å; F136-F161 AromaticContact CD2-CZ 3.95Å; F136-F161 HydrophobicContact CD2-CZ 3.95Å; F136-F161 HydrophobicContact CE1-CZ 4.28Å; F136-F161 HydrophobicContact CE2-CZ 4.13Å; F136-F161 HydrophobicContact CG-CE2 4.17Å; F136-F161 AromaticContact CG-CZ 3.93Å; F136-F161 HydrophobicContact CG-CZ 3.93Å; F136-F161 HydrophobicContact CZ-CZ 4.3Å; F136-W170 HydrophobicContact CB-CD2 4.46Å; F136-W170 HydrophobicContact CB-CE3 4.49Å; F136-W170 AromaticContact CD1-CD1 3.74Å; F136-W170 HydrophobicContact CD1-CD2 4Å; F136-W170 AromaticContact CD1-CE2 3.76Å; F136-W170 HydrophobicContact CD1-CG 4.01Å; F136-W170 HydrophobicContact CD1-CZ2 4.38Å; F136-W170 AromaticContact CD1-NE1 3.57Å; F136-W170 AromaticContact CE1-NE1 3.99Å
137	P	97.9	Very high	96.2	Very high	73 Å²	73	42.4 Å²	42.4	47%	0.474	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	125.7	-178.1	-26.1	27.6	0	0	0	114.1	Q133 W170	Q133-P137 VanDerWaalsContact O-CA 3.3Å; Q133-P137 WeakPolarHBondContact O-CA 3.48Å; Q133-P137 WeakPolarHBondContact O-CD 3.44Å; Q133-P137 VanDerWaalsContact O-CG 3.26Å; Q133-P137 WeakPolarHBondContact O-CG 3.23Å; P137-W170 HydrophobicContact CB-CH2 4.49Å; P137-W170 HydrophobicContact CG-CH2 4.37Å; P137-W170 VanDerWaalsContact O-CZ3 3.25Å; P137-W170 WeakPolarHBondContact O-CZ3 3.34Å
138	G	96.7	Very high	96.9	Very high	44 Å²	44	39.5 Å²	39.5	45%	0.454	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	-10.8	176.7	0	0	0	0	0	115.3	F136 M177	F136-G138 PolarHBondContact O-N 3.42Å; G138-M177 WeakPolarHBondContact O-CE 3.34Å
139	I	98.2	Very high	97.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.218	C	C	.	.			trans	-69.8	127.8	169.3	-62.9	-57.3	0	0	0	108.8	L132 Q133 F136 L143 F161 W168 W170 M177	L132-I139 HydrophobicContact CD2-CG2 4.24Å; Q133-I139 PolarHBondContact NE2-O 2.93Å; F136-I139 HydrophobicContact CB-CB 4.12Å; F136-I139 HydrophobicContact CB-CG1 3.75Å; F136-I139 WeakPolarHBondContact O-CB 3.29Å; F136-I139 PolarHBondContact O-N 3.04Å; F136-I139 VanDerWaalsContact O-N 3.14Å; I139-L143 HydrophobicContact CG2-CD1 4.09Å; I139-L143 HydrophobicContact CG2-CD2 3.91Å; I139-L143 HydrophobicContact CG2-CG 4.45Å; I139-F161 HydrophobicContact CD1-CB 4.46Å; I139-F161 HydrophobicContact CD1-CD2 3.55Å; I139-F161 HydrophobicContact CD1-CE2 4.15Å; I139-F161 HydrophobicContact CD1-CG 4.3Å; I139-F161 HydrophobicContact CG1-CD2 3.72Å; I139-F161 HydrophobicContact CG1-CE2 3.87Å; I139-F161 HydrophobicContact CG1-CG 4.49Å; I139-F161 HydrophobicContact CG2-CB 4.17Å; I139-F161 HydrophobicContact CG2-CD1 4.28Å; I139-F161 HydrophobicContact CG2-CD2 3.95Å; I139-F161 HydrophobicContact CG2-CE2 4.37Å; I139-F161 HydrophobicContact CG2-CG 3.88Å; I139-W168 HydrophobicContact CD1-CB 4.06Å; I139-W168 HydrophobicContact CD1-CG 4.49Å; I139-W170 HydrophobicContact CD1-CE3 4.13Å; I139-W170 HydrophobicContact CG1-CE3 3.97Å; I139-W170 HydrophobicContact CG1-CZ3 4.46Å; I139-M177 HydrophobicContact CD1-CB 4.04Å; I139-M177 HydrophobicContact CD1-CE 3.89Å; I139-M177 HydrophobicContact CD1-SD 4.18Å
140	P	97.5	Very high	97.5	Very high	30 Å²	30	35.5 Å²	35.5	20%	0.195	21%	0.205	C	C	.	.			trans	-75.6	165.1	-177	32.5	-36.1	0	0	0	112.3	L132 L143 Q163 W168	L132-P140 WeakPolarHBondContact CD2-O 3.42Å; P140-L143 VanDerWaalsContact O-CD2 3.29Å; P140-L143 WeakPolarHBondContact O-CD2 3.3Å; P140-L143 WeakPolarHBondContact O-CG 3.45Å; P140-Q163 VanDerWaalsContact CB-OE1 3.3Å; P140-Q163 HydrophobicContact CG-CB 4.34Å; P140-W168 HydrophobicContact CG-CE3 4.41Å; P140-W168 HydrophobicContact CG-CH2 3.36Å; P140-W168 HydrophobicContact CG-CZ2 3.94Å; P140-W168 HydrophobicContact CG-CZ3 3.65Å
141	S	97.1	Very high	97.5	Very high	49 Å²	49	39.6 Å²	39.6	34%	0.343	22%	0.219	S	C	.	.	S	Bend	trans	-134.6	154	172.7	54.3	0	0	0	0	111	G113 Q163	G113-S141 WeakPolarHBondContact O-CB 3.43Å; S141-Q163 PolarHBondContact O-NE2 2.88Å
142	P	97.9	Very high	97.4	Very high	76 Å²	76	36.4 Å²	36.4	49%	0.494	21%	0.205	S	C	.	.	S	Bend	cis	-68.4	155.2	-11.4	31.4	-35	0	0	0	111.7	Q163	P142-Q163 WeakPolarHBondContact O-CG 3.49Å; P142-Q163 PolarHBondContact O-NE2 3.35Å
143	L	98.7	Very high	97.4	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.016	21%	0.209	C	C	.	.			trans	-95.2	154.7	176	-69.6	170.3	0	0	0	109.9	D98 A99 I111 L132 I139 P140 F161 Q163	D98-L143 WeakPolarHBondContact CB-O 2.77Å; A99-L143 HydrophobicContact CB-CB 4.11Å; I111-L143 HydrophobicContact CD1-CD1 3.82Å; I111-L143 HydrophobicContact CG2-CD1 4.34Å; L132-L143 HydrophobicContact CD1-CD1 4.46Å; L132-L143 HydrophobicContact CD2-CD1 4.28Å; I139-L143 HydrophobicContact CG2-CD1 4.09Å; I139-L143 HydrophobicContact CG2-CD2 3.91Å; I139-L143 HydrophobicContact CG2-CG 4.45Å; P140-L143 VanDerWaalsContact O-CD2 3.29Å; P140-L143 WeakPolarHBondContact O-CD2 3.3Å; P140-L143 WeakPolarHBondContact O-CG 3.45Å; L143-F161 HydrophobicContact CD1-CD1 3.53Å; L143-F161 HydrophobicContact CD1-CE1 3.96Å; L143-F161 HydrophobicContact CD1-CG 4.35Å; L143-F161 HydrophobicContact CD2-CB 4.14Å; L143-F161 HydrophobicContact CD2-CD1 4.49Å; L143-Q163 HydrophobicContact CD2-CB 4.43Å
144	D	98.7	Very high	97.4	Very high	65 Å²	65	33.6 Å²	33.6	35%	0.348	19%	0.192	S	C	.	.	S	Bend	trans	-100.1	-24.9	172.8	-58.5	-50.4	0	0	0	112.4	D98 F162 Q163 G164 C188 S189	D98-D144 CarbonylContact O-C 3.59Å; D144-F162 PolarHBondContact N-O 3.43Å; D144-Q163 WeakPolarHBondContact OD2-CA 3.22Å; D144-G164 PolarHBondContact OD2-N 2.93Å; D144-C188 WeakPolarHBondContact CB-O 3.44Å; D144-S189 CarbonylContact O-C 3.47Å; D144-S189 VanDerWaalsContact O-O 3.05Å
145	A	98.8	Very high	97.3	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.008	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	160.3	176.3	0	0	0	0	0	112.4	F162 C188 A191	A145-F162 HydrophobicContact CB-CB 3.95Å; A145-F162 HydrophobicContact CB-CD2 3.82Å; A145-F162 HydrophobicContact CB-CG 4.1Å; A145-F162 PolarHBondContact N-O 2.8Å; A145-F162 PolarHBondContact O-N 3Å; A145-C188 HydrophobicContact CB-CB 4.08Å; A145-A191 HydrophobicContact CB-CB 3.79Å
146	A	98.9	Very high	97.4	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	153.8	167.4	0	0	0	0	0	109.9	A99 F101 I159 L160 F161	A99-A146 HydrophobicContact CB-CB 3.92Å; F101-A146 HydrophobicContact CB-CB 4.34Å; F101-A146 HydrophobicContact CD1-CB 3.69Å; F101-A146 HydrophobicContact CE1-CB 4.49Å; F101-A146 HydrophobicContact CG-CB 4.41Å; A146-I159 HydrophobicContact CB-CG2 4.5Å; A146-L160 CarbonylContact C-O 3.59Å; A146-L160 WeakPolarHBondContact CA-O 3.03Å; A146-F161 HydrophobicContact CB-CD1 3.81Å; A146-F161 HydrophobicContact CB-CE1 3.97Å
147	V	98.8	Very high	97.4	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	137.1	172	64.1	0	0	0	0	110.5	L160 F162 A191 L192 R193 Y198	V147-L160 HydrophobicContact CG1-CB 3.77Å; V147-L160 HydrophobicContact CG1-CD1 4.13Å; V147-L160 HydrophobicContact CG1-CG 4.5Å; V147-L160 PolarHBondContact N-O 2.91Å; V147-L160 PolarHBondContact O-N 2.74Å; V147-F162 HydrophobicContact CG1-CE2 4.05Å; V147-A191 HydrophobicContact CB-CB 4.01Å; V147-A191 HydrophobicContact CG1-CB 4.22Å; V147-L192 VanDerWaalsContact CG2-C 3.47Å; V147-R193 HydrophobicContact CG2-CB 3.61Å; V147-R193 VanDerWaalsContact CG2-N 3.28Å; V147-Y198 HydrophobicContact CG1-CD1 4.27Å; V147-Y198 HydrophobicContact CG2-CD1 4.19Å; V147-Y198 HydrophobicContact CG2-CE1 4.5Å
148	E	98.2	Very high	97.4	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.019	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	142.5	173.3	69.3	-84.1	-166.5	0	0	111.7	R102 Y198	R102-E148 PolarHBondContact N-OE2 3.22Å; R102-E148 WeakPolarHBondContact O-CB 3.47Å; R102-E148 WeakPolarHBondContact O-CG 3.34Å; E148-Y198 VanDerWaalsContact O-CE1 3.26Å; E148-Y198 WeakPolarHBondContact O-CE1 3.41Å
149	C	97.7	Very high	97.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	110.5	177	-155.7	0	0	0	0	111.6	C154 G158 F169 Y198	C149-C154 HydrophobicContact CB-CB 3.89Å; C149-C154 WeakPolarHBondContact CB-SG 3.5Å; C149-C154 WeakPolarHBondContact SG-CB 3.45Å; C149-C154 CovalentContact SG-SG 2.01Å; C149-C154 PolarHBondContact SG-SG 2.96Å; C149-G158 PolarHBondContact N-O 3.08Å; C149-G158 PolarHBondContact O-N 3.02Å; C149-F169 HydrophobicContact CB-CE2 4.31Å; C149-Y198 WeakPolarHBondContact CA-OH 3.43Å; C149-Y198 HydrophobicContact CB-CE1 4Å; C149-Y198 VanDerWaalsContact SG-CE1 3.52Å; C149-Y198 VanDerWaalsContact SG-CZ 3.54Å; C149-Y198 PolarHBondContact SG-OH 3.48Å
150	H	96.9	Very high	97.5	Very high	21 Å²	21	29.4 Å²	29.4	10%	0.097	15%	0.154	C	C	.	.			trans	-81.3	149.7	-174.8	-61.1	-48.9	0	0	0	112.6	H105 G152 E153 C154 E157 R193 Y198	H105-H150 AromaticContact CE1-NE2 3.96Å; H105-H150 AromaticContact NE2-NE2 3.9Å; H150-G152 PolarHBondContact O-N 2.82Å; H150-E153 PolarHBondContact O-N 2.77Å; H150-E153 VanDerWaalsContact O-N 3.13Å; H150-C154 PolarHBondContact O-N 3.16Å; H150-E157 VanDerWaalsContact CA-OE2 3.26Å; H150-E157 WeakPolarHBondContact CA-OE2 3.44Å; H150-E157 IonicContact CE1-OE1 3.35Å; H150-E157 IonicContact CG-OE1 3.7Å; H150-E157 IonicContact ND1-OE1 2.75Å; H150-E157 PolarHBondContact ND1-OE1 2.92Å; H150-E157 IonicContact ND1-OE2 2.96Å; H150-R193 PolarHBondContact CD2-NE 3.07Å; H150-Y198 PolarHBondContact N-OH 2.89Å
151	R	96	Very high	97.6	Very high	138 Å²	138	28 Å²	28	52%	0.521	15%	0.145	S	C	.	.	B	Isolated β-bridge	trans	-55.7	136.8	169.5	-173	-177.4	175.8	89.1	-0.5	110.2	E153 E157	R151-E153 VanDerWaalsContact C-N 3.33Å; R151-E157 HydrophobicContact CB-CB 4.5Å; R151-E157 PolarHBondContact N-OE2 2.85Å
152	G	94.6	Very high	97.7	Very high	9 Å²	9	25.7 Å²	25.7	9%	0.093	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	-35.7	-175	0	0	0	0	0	112.4	H150 C154 H271 G333 G334	H150-G152 PolarHBondContact O-N 2.82Å; G152-C154 PolarHBondContact N-O 2.88Å; G152-H271 WeakPolarHBondContact CA-CD2 3.5Å; G152-H271 WeakPolarHBondContact CA-NE2 3.23Å; G152-G333 CarbonylContact O-C 3.55Å; G152-G333 WeakPolarHBondContact O-CA 3.41Å; G152-G333 PolarHBondContact O-N 3.37Å; G152-G334 PolarHBondContact O-N 3.45Å
153	E	97.2	Very high	97.7	Very high	18 Å²	18	24.2 Å²	24.2	8%	0.084	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-46.7	168.8	-64.6	167.3	-162.4	0	0	110.6	H150 R151 R193 G196 Y198 V212 R284 G333 G334	H150-E153 PolarHBondContact O-N 2.77Å; H150-E153 VanDerWaalsContact O-N 3.13Å; R151-E153 VanDerWaalsContact C-N 3.33Å; E153-R193 IonicContact OE1-CZ 2.72Å; E153-R193 IonicContact OE1-NE 3.39Å; E153-R193 IonicContact OE1-NH2 3.76Å; E153-R193 PolarHBondContact OE1-NH2 3.15Å; E153-R193 IonicContact OE2-CZ 3.39Å; E153-R193 IonicContact OE2-NE 2.8Å; E153-R193 PolarHBondContact OE2-NE 3.06Å; E153-R193 IonicContact OE2-NH2 2.77Å; E153-R193 PolarHBondContact OE2-NH2 3.22Å; E153-G196 WeakPolarHBondContact OE1-CA 3.45Å; E153-Y198 HydrophobicContact CB-CE2 4.01Å; E153-Y198 WeakPolarHBondContact CB-OH 3.31Å; E153-Y198 HydrophobicContact CG-CE2 4.5Å; E153-Y198 WeakPolarHBondContact OE2-CE2 3.29Å; E153-Y198 VanDerWaalsContact OE2-CZ 3.23Å; E153-Y198 PolarHBondContact OE2-OH 2.88Å; E153-V212 WeakPolarHBondContact O-CG2 3.48Å; E153-R284 IonicContact OE1-CZ 3.4Å; E153-R284 IonicContact OE1-NH1 3.73Å; E153-R284 PolarHBondContact OE1-NH1 3.35Å; E153-R284 IonicContact OE1-NH2 2.74Å; E153-R284 PolarHBondContact OE1-NH2 3.02Å; E153-G333 CarbonylContact O-C 3.49Å; E153-G333 VanDerWaalsContact O-C 3.24Å; E153-G333 WeakPolarHBondContact O-CA 3.16Å; E153-G334 PolarHBondContact O-N 3.12Å
154	C	97	Very high	97.6	Very high	4 Å²	4	25.2 Å²	25.2	3%	0.027	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-93.5	165.1	159.2	-88.2	0	0	0	0	111	C149 H150 G152 A156 F169	C149-C154 HydrophobicContact CB-CB 3.89Å; C149-C154 WeakPolarHBondContact CB-SG 3.5Å; C149-C154 WeakPolarHBondContact SG-CB 3.45Å; C149-C154 CovalentContact SG-SG 2.01Å; C149-C154 PolarHBondContact SG-SG 2.96Å; H150-C154 PolarHBondContact O-N 3.16Å; G152-C154 PolarHBondContact N-O 2.88Å; C154-A156 VanDerWaalsContact CB-O 3.27Å; C154-A156 WeakPolarHBondContact CB-O 3.03Å; C154-A156 PolarHBondContact O-N 3.28Å; C154-F169 HydrophobicContact CB-CE2 4.09Å
155	Q	94.8	Very high	97.4	Very high	118 Å²	118	27.3 Å²	27.3	55%	0.551	14%	0.138	S	C	*	.	S	Bend	trans	-67	-26.4	176.5	-64.5	179.6	-42.1	0	0	113	V212	Q155-V212 HydrophobicContact CG-CG1 4.27Å; Q155-V212 HydrophobicContact CG-CG2 4.39Å
156	A	96.4	Very high	97.3	Very high	17 Å²	17	31.3 Å²	31.3	14%	0.14	16%	0.156	C	C	.	.	S	Bend	trans	-142	162.7	176.9	0	0	0	0	0	109.4	C154 G158 F169 D171	C154-A156 VanDerWaalsContact CB-O 3.27Å; C154-A156 WeakPolarHBondContact CB-O 3.03Å; C154-A156 PolarHBondContact O-N 3.28Å; A156-G158 PolarHBondContact O-N 2.88Å; A156-F169 HydrophobicContact CB-CE1 4.33Å; A156-F169 HydrophobicContact CB-CZ 4.11Å; A156-F169 WeakPolarHBondContact O-CZ 3.46Å; A156-D171 WeakPolarHBondContact CB-OD2 3.48Å
157	E	97.3	Very high	97.3	Very high	61 Å²	61	31.5 Å²	31.5	29%	0.285	16%	0.157	S	C	.	.	S	Bend	trans	-68.3	127.5	170.8	-166.7	67	-154.1	0	0	108.9	H150 R151 L172	H150-E157 VanDerWaalsContact CA-OE2 3.26Å; H150-E157 WeakPolarHBondContact CA-OE2 3.44Å; H150-E157 IonicContact CE1-OE1 3.35Å; H150-E157 IonicContact CG-OE1 3.7Å; H150-E157 IonicContact ND1-OE1 2.75Å; H150-E157 PolarHBondContact ND1-OE1 2.92Å; H150-E157 IonicContact ND1-OE2 2.96Å; R151-E157 HydrophobicContact CB-CB 4.5Å; R151-E157 PolarHBondContact N-OE2 2.85Å; E157-L172 HydrophobicContact CG-CD1 4.08Å; E157-L172 PolarHBondContact O-N 2.92Å
158	G	97.8	Very high	97.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	-171.5	-172.4	0	0	0	0	0	115	C149 A156 W170	C149-G158 PolarHBondContact N-O 3.08Å; C149-G158 PolarHBondContact O-N 3.02Å; A156-G158 PolarHBondContact O-N 2.88Å; G158-W170 CarbonylContact C-O 3.48Å; G158-W170 WeakPolarHBondContact CA-O 3.38Å
159	I	98.7	Very high	97.3	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	136.9	178.1	-57.4	154.7	0	0	0	107.9	F101 F136 A146 F161 W170 L172	F101-I159 HydrophobicContact CD1-CG2 4.2Å; F101-I159 HydrophobicContact CD2-CD1 4.33Å; F101-I159 HydrophobicContact CD2-CG1 4.23Å; F101-I159 HydrophobicContact CD2-CG2 4.44Å; F101-I159 HydrophobicContact CE1-CD1 4.28Å; F101-I159 HydrophobicContact CE1-CG2 4.23Å; F101-I159 HydrophobicContact CE2-CD1 3.47Å; F101-I159 VanDerWaalsContact CE2-CD1 3.47Å; F101-I159 HydrophobicContact CE2-CG1 3.84Å; F101-I159 HydrophobicContact CE2-CG2 4.48Å; F101-I159 HydrophobicContact CG-CG2 4.31Å; F101-I159 HydrophobicContact CZ-CD1 3.44Å; F101-I159 VanDerWaalsContact CZ-CD1 3.44Å; F101-I159 HydrophobicContact CZ-CG1 4.16Å; F101-I159 HydrophobicContact CZ-CG2 4.37Å; F136-I159 HydrophobicContact CE1-CD1 3.57Å; F136-I159 HydrophobicContact CZ-CD1 3.81Å; A146-I159 HydrophobicContact CB-CG2 4.5Å; I159-F161 HydrophobicContact CB-CE2 4.07Å; I159-F161 HydrophobicContact CB-CZ 4.16Å; I159-F161 HydrophobicContact CD1-CZ 4.31Å; I159-F161 HydrophobicContact CG2-CD1 4.22Å; I159-F161 HydrophobicContact CG2-CD2 4.29Å; I159-F161 HydrophobicContact CG2-CE1 3.79Å; I159-F161 HydrophobicContact CG2-CE2 3.87Å; I159-F161 HydrophobicContact CG2-CG 4.48Å; I159-F161 HydrophobicContact CG2-CZ 3.61Å; I159-W170 HydrophobicContact CB-CB 4.45Å; I159-W170 PolarHBondContact N-O 2.75Å; I159-W170 PolarHBondContact O-N 3.28Å; I159-L172 HydrophobicContact CD1-CD2 3.94Å; I159-L172 HydrophobicContact CD1-CG 4.42Å; I159-L172 HydrophobicContact CG1-CD1 4.37Å
160	L	98.8	Very high	97.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.6	169.4	-70.3	168.1	0	0	0	109.4	A146 V147 F162 W168 F169 W182 F209 P211	A146-L160 CarbonylContact C-O 3.59Å; A146-L160 WeakPolarHBondContact CA-O 3.03Å; V147-L160 HydrophobicContact CG1-CB 3.77Å; V147-L160 HydrophobicContact CG1-CD1 4.13Å; V147-L160 HydrophobicContact CG1-CG 4.5Å; V147-L160 PolarHBondContact N-O 2.91Å; V147-L160 PolarHBondContact O-N 2.74Å; L160-F162 HydrophobicContact CB-CE2 3.79Å; L160-F162 HydrophobicContact CB-CZ 4.08Å; L160-W168 CarbonylContact C-O 3.54Å; L160-W168 VanDerWaalsContact CA-O 3.31Å; L160-W168 WeakPolarHBondContact CA-O 3.47Å; L160-F169 HydrophobicContact CD2-CB 3.86Å; L160-F169 HydrophobicContact CD2-CD2 3.97Å; L160-F169 HydrophobicContact CD2-CG 4.44Å; L160-F169 HydrophobicContact CG-CD2 4.41Å; L160-W182 HydrophobicContact CD1-CH2 4.06Å; L160-W182 HydrophobicContact CD1-CZ3 4.14Å; L160-W182 HydrophobicContact CD2-CH2 3.54Å; L160-W182 HydrophobicContact CD2-CZ3 3.83Å; L160-W182 HydrophobicContact CG-CH2 4.47Å; L160-F209 HydrophobicContact CD1-CE2 3.98Å; L160-F209 HydrophobicContact CD1-CZ 4.25Å; L160-P211 HydrophobicContact CD1-CB 4.03Å
161	F	98.9	Very high	97.4	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	142.5	176.2	-67.5	-67.4	0	0	0	110.7	F101 I111 F136 I139 L143 A146 I159 K167 W168 W170	F101-F161 HydrophobicContact CE1-CE1 4.24Å; F101-F161 HydrophobicContact CE1-CZ 4.47Å; I111-F161 HydrophobicContact CD1-CE1 3.92Å; F136-F161 HydrophobicContact CB-CE2 4.45Å; F136-F161 HydrophobicContact CD1-CE2 4.16Å; F136-F161 HydrophobicContact CD1-CZ 4.09Å; F136-F161 AromaticContact CD2-CZ 3.95Å; F136-F161 HydrophobicContact CD2-CZ 3.95Å; F136-F161 HydrophobicContact CE1-CZ 4.28Å; F136-F161 HydrophobicContact CE2-CZ 4.13Å; F136-F161 HydrophobicContact CG-CE2 4.17Å; F136-F161 AromaticContact CG-CZ 3.93Å; F136-F161 HydrophobicContact CG-CZ 3.93Å; F136-F161 HydrophobicContact CZ-CZ 4.3Å; I139-F161 HydrophobicContact CD1-CB 4.46Å; I139-F161 HydrophobicContact CD1-CD2 3.55Å; I139-F161 HydrophobicContact CD1-CE2 4.15Å; I139-F161 HydrophobicContact CD1-CG 4.3Å; I139-F161 HydrophobicContact CG1-CD2 3.72Å; I139-F161 HydrophobicContact CG1-CE2 3.87Å; I139-F161 HydrophobicContact CG1-CG 4.49Å; I139-F161 HydrophobicContact CG2-CB 4.17Å; I139-F161 HydrophobicContact CG2-CD1 4.28Å; I139-F161 HydrophobicContact CG2-CD2 3.95Å; I139-F161 HydrophobicContact CG2-CE2 4.37Å; I139-F161 HydrophobicContact CG2-CG 3.88Å; L143-F161 HydrophobicContact CD1-CD1 3.53Å; L143-F161 HydrophobicContact CD1-CE1 3.96Å; L143-F161 HydrophobicContact CD1-CG 4.35Å; L143-F161 HydrophobicContact CD2-CB 4.14Å; L143-F161 HydrophobicContact CD2-CD1 4.49Å; A146-F161 HydrophobicContact CB-CD1 3.81Å; A146-F161 HydrophobicContact CB-CE1 3.97Å; I159-F161 HydrophobicContact CB-CE2 4.07Å; I159-F161 HydrophobicContact CB-CZ 4.16Å; I159-F161 HydrophobicContact CD1-CZ 4.31Å; I159-F161 HydrophobicContact CG2-CD1 4.22Å; I159-F161 HydrophobicContact CG2-CD2 4.29Å; I159-F161 HydrophobicContact CG2-CE1 3.79Å; I159-F161 HydrophobicContact CG2-CE2 3.87Å; I159-F161 HydrophobicContact CG2-CG 4.48Å; I159-F161 HydrophobicContact CG2-CZ 3.61Å; F161-K167 CarbonylContact O-C 3.53Å; F161-K167 WeakPolarHBondContact O-CA 3.45Å; F161-W168 HydrophobicContact CB-CE3 4.49Å; F161-W168 PolarHBondContact N-O 3.3Å; F161-W168 PolarHBondContact O-N 3.17Å; F161-W170 HydrophobicContact CD2-CB 4.05Å; F161-W170 HydrophobicContact CE2-CB 3.71Å; F161-W170 HydrophobicContact CE2-CG 4.21Å
162	F	98.8	Very high	97.4	Very high	1 Å²	1	29 Å²	29	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135	-177.1	-55.8	-103.2	0	0	0	110.4	D144 A145 V147 L160 H166 K167 V185 C188 A191 F209	D144-F162 PolarHBondContact N-O 3.43Å; A145-F162 HydrophobicContact CB-CB 3.95Å; A145-F162 HydrophobicContact CB-CD2 3.82Å; A145-F162 HydrophobicContact CB-CG 4.1Å; A145-F162 PolarHBondContact N-O 2.8Å; A145-F162 PolarHBondContact O-N 3Å; V147-F162 HydrophobicContact CG1-CE2 4.05Å; L160-F162 HydrophobicContact CB-CE2 3.79Å; L160-F162 HydrophobicContact CB-CZ 4.08Å; F162-H166 WeakPolarHBondContact CA-O 3.26Å; F162-K167 HydrophobicContact CD1-CB 4.38Å; F162-K167 HydrophobicContact CD1-CG 3.48Å; F162-K167 VanDerWaalsContact CD1-CG 3.48Å; F162-K167 HydrophobicContact CE1-CB 4.49Å; F162-K167 HydrophobicContact CE1-CG 3.74Å; F162-K167 HydrophobicContact CG-CG 4.42Å; F162-V185 HydrophobicContact CE1-CG1 4.19Å; F162-C188 HydrophobicContact CD1-CB 4.26Å; F162-C188 HydrophobicContact CG-CB 4.39Å; F162-A191 HydrophobicContact CD2-CB 4.45Å; F162-A191 HydrophobicContact CE2-CB 4.11Å; F162-F209 AromaticContact CZ-CZ 3.96Å; F162-F209 HydrophobicContact CZ-CZ 3.96Å
163	Q	98.3	Very high	97.5	Very high	46 Å²	46	33.1 Å²	33.1	22%	0.215	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	110.2	172.2	-174.4	-170.8	57.4	0	0	109.2	P140 S141 P142 L143 D144 D165 H166 W168	P140-Q163 VanDerWaalsContact CB-OE1 3.3Å; P140-Q163 HydrophobicContact CG-CB 4.34Å; S141-Q163 PolarHBondContact O-NE2 2.88Å; P142-Q163 WeakPolarHBondContact O-CG 3.49Å; P142-Q163 PolarHBondContact O-NE2 3.35Å; L143-Q163 HydrophobicContact CD2-CB 4.43Å; D144-Q163 WeakPolarHBondContact OD2-CA 3.22Å; Q163-D165 PolarHBondContact O-N 2.91Å; Q163-H166 PolarHBondContact N-O 2.89Å; Q163-H166 WeakPolarHBondContact O-CB 3.45Å; Q163-H166 PolarHBondContact O-N 3.03Å; Q163-W168 HydrophobicContact CB-CH2 4.02Å; Q163-W168 HydrophobicContact CB-CZ3 3.73Å
164	G	96.2	Very high	97.5	Very high	24 Å²	24	36.4 Å²	36.4	25%	0.247	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	-128	-167.4	0	0	0	0	0	110.6	D144 H166 N187	D144-G164 PolarHBondContact OD2-N 2.93Å; G164-H166 PolarHBondContact O-N 2.91Å; G164-N187 VanDerWaalsContact C-CG 3.48Å; G164-N187 PolarHBondContact O-OD1 2.85Å; G164-N187 VanDerWaalsContact O-OD1 3.04Å
165	D	95	Very high	97.5	Very high	108 Å²	108	38.1 Å²	38.1	58%	0.578	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-1	178.8	-73.4	-72.8	0	0	0	114.4	Q163 K167 N187	Q163-D165 PolarHBondContact O-N 2.91Å; D165-K167 WeakPolarHBondContact O-CD 2.99Å; D165-K167 VanDerWaalsContact O-CE 3.29Å; D165-K167 WeakPolarHBondContact O-CE 3.44Å; D165-K167 PolarHBondContact O-NZ 3.42Å; D165-N187 WeakPolarHBondContact CA-OD1 3.36Å; D165-N187 PolarHBondContact N-OD1 3.1Å; D165-N187 VanDerWaalsContact N-OD1 3.15Å; D165-N187 PolarHBondContact OD1-OD1 2.77Å; D165-N187 PolarHBondContact OD2-ND2 3.39Å
166	H	97.9	Very high	97.6	Very high	86 Å²	86	35.4 Å²	35.4	40%	0.398	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	140.3	-176.3	-58	114.4	0	0	0	112.8	F162 Q163 G164 W168 K179	F162-H166 WeakPolarHBondContact CA-O 3.26Å; Q163-H166 PolarHBondContact N-O 2.89Å; Q163-H166 WeakPolarHBondContact O-CB 3.45Å; Q163-H166 PolarHBondContact O-N 3.03Å; G164-H166 PolarHBondContact O-N 2.91Å; H166-W168 HydrophobicContact CB-CE3 4.49Å; H166-W168 HydrophobicContact CB-CH2 3.16Å; H166-W168 HydrophobicContact CB-CZ2 3.53Å; H166-W168 HydrophobicContact CB-CZ3 3.71Å; H166-K179 WeakPolarHBondContact CD2-CE 3.42Å; H166-K179 PolarHBondContact CD2-NZ 2.66Å; H166-K179 PolarHBondContact NE2-NZ 3.42Å
167	K	98.6	Very high	97.6	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.017	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141.6	-177.7	-58.9	93.1	-168.1	-177.2	0	109.8	F161 F162 D165 K179 R180 W182 G186	F161-K167 CarbonylContact O-C 3.53Å; F161-K167 WeakPolarHBondContact O-CA 3.45Å; F162-K167 HydrophobicContact CD1-CB 4.38Å; F162-K167 HydrophobicContact CD1-CG 3.48Å; F162-K167 VanDerWaalsContact CD1-CG 3.48Å; F162-K167 HydrophobicContact CE1-CB 4.49Å; F162-K167 HydrophobicContact CE1-CG 3.74Å; F162-K167 HydrophobicContact CG-CG 4.42Å; D165-K167 WeakPolarHBondContact O-CD 2.99Å; D165-K167 VanDerWaalsContact O-CE 3.29Å; D165-K167 WeakPolarHBondContact O-CE 3.44Å; D165-K167 PolarHBondContact O-NZ 3.42Å; K167-K179 WeakPolarHBondContact O-CA 3.04Å; K167-R180 HydrophobicContact CB-CB 4.16Å; K167-R180 PolarHBondContact O-N 2.9Å; K167-W182 HydrophobicContact CB-CE3 4.21Å; K167-W182 HydrophobicContact CG-CE3 4.35Å; K167-W182 PolarHBondContact NZ-O 2.93Å; K167-G186 WeakPolarHBondContact CE-O 3.24Å; K167-G186 PolarHBondContact NZ-O 2.83Å
168	W	98.6	Very high	97.6	Very high	23 Å²	23	39.6 Å²	39.6	9%	0.087	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	139.4	177.3	-57.3	-92.2	0	0	0	111.2	I139 P140 L160 F161 Q163 H166 M177 K178	I139-W168 HydrophobicContact CD1-CB 4.06Å; I139-W168 HydrophobicContact CD1-CG 4.49Å; P140-W168 HydrophobicContact CG-CE3 4.41Å; P140-W168 HydrophobicContact CG-CH2 3.36Å; P140-W168 HydrophobicContact CG-CZ2 3.94Å; P140-W168 HydrophobicContact CG-CZ3 3.65Å; L160-W168 CarbonylContact C-O 3.54Å; L160-W168 VanDerWaalsContact CA-O 3.31Å; L160-W168 WeakPolarHBondContact CA-O 3.47Å; F161-W168 HydrophobicContact CB-CE3 4.49Å; F161-W168 PolarHBondContact N-O 3.3Å; F161-W168 PolarHBondContact O-N 3.17Å; Q163-W168 HydrophobicContact CB-CH2 4.02Å; Q163-W168 HydrophobicContact CB-CZ3 3.73Å; H166-W168 HydrophobicContact CB-CE3 4.49Å; H166-W168 HydrophobicContact CB-CH2 3.16Å; H166-W168 HydrophobicContact CB-CZ2 3.53Å; H166-W168 HydrophobicContact CB-CZ3 3.71Å; W168-M177 HydrophobicContact CB-CE 4.21Å; W168-M177 HydrophobicContact CD2-CE 4.15Å; W168-M177 HydrophobicContact CG-CE 3.57Å; W168-M177 VanDerWaalsContact NE1-CE 3.3Å; W168-K178 CarbonylContact C-O 3.53Å; W168-K178 WeakPolarHBondContact CA-O 3.41Å
169	F	98.6	Very high	97.6	Very high	7 Å²	7	43.5 Å²	43.5	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	119.9	165.1	176	-98.9	0	0	0	109	C149 C154 A156 L160 D171 M177 K178 R180	C149-F169 HydrophobicContact CB-CE2 4.31Å; C154-F169 HydrophobicContact CB-CE2 4.09Å; A156-F169 HydrophobicContact CB-CE1 4.33Å; A156-F169 HydrophobicContact CB-CZ 4.11Å; A156-F169 WeakPolarHBondContact O-CZ 3.46Å; L160-F169 HydrophobicContact CD2-CB 3.86Å; L160-F169 HydrophobicContact CD2-CD2 3.97Å; L160-F169 HydrophobicContact CD2-CG 4.44Å; L160-F169 HydrophobicContact CG-CD2 4.41Å; F169-D171 HydrophobicContact CD1-CB 4.43Å; F169-D171 HydrophobicContact CE1-CB 3.81Å; F169-M177 CarbonylContact O-C 3.33Å; F169-M177 WeakPolarHBondContact O-CA 3.1Å; F169-K178 PolarHBondContact N-O 3.49Å; F169-K178 PolarHBondContact O-N 3.46Å; F169-R180 HydrophobicContact CB-CG 4.48Å
170	W	98.6	Very high	97.5	Very high	13 Å²	13	46.1 Å²	46.1	5%	0.049	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	117	170.6	-178.1	-93.4	0	0	0	109.8	F136 P137 I139 G158 I159 F161 G175 M177	F136-W170 HydrophobicContact CB-CD2 4.46Å; F136-W170 HydrophobicContact CB-CE3 4.49Å; F136-W170 AromaticContact CD1-CD1 3.74Å; F136-W170 HydrophobicContact CD1-CD2 4Å; F136-W170 AromaticContact CD1-CE2 3.76Å; F136-W170 HydrophobicContact CD1-CG 4.01Å; F136-W170 HydrophobicContact CD1-CZ2 4.38Å; F136-W170 AromaticContact CD1-NE1 3.57Å; F136-W170 AromaticContact CE1-NE1 3.99Å; P137-W170 HydrophobicContact CB-CH2 4.49Å; P137-W170 HydrophobicContact CG-CH2 4.37Å; P137-W170 VanDerWaalsContact O-CZ3 3.25Å; P137-W170 WeakPolarHBondContact O-CZ3 3.34Å; I139-W170 HydrophobicContact CD1-CE3 4.13Å; I139-W170 HydrophobicContact CG1-CE3 3.97Å; I139-W170 HydrophobicContact CG1-CZ3 4.46Å; G158-W170 CarbonylContact C-O 3.48Å; G158-W170 WeakPolarHBondContact CA-O 3.38Å; I159-W170 HydrophobicContact CB-CB 4.45Å; I159-W170 PolarHBondContact N-O 2.75Å; I159-W170 PolarHBondContact O-N 3.28Å; F161-W170 HydrophobicContact CD2-CB 4.05Å; F161-W170 HydrophobicContact CE2-CB 3.71Å; F161-W170 HydrophobicContact CE2-CG 4.21Å; W170-G175 VanDerWaalsContact CH2-C 3.45Å; W170-G175 WeakPolarHBondContact CH2-O 3.26Å; W170-G175 VanDerWaalsContact CZ2-C 3.41Å; W170-G175 VanDerWaalsContact CZ2-CA 3.46Å; W170-G175 WeakPolarHBondContact CZ2-O 3.11Å; W170-M177 HydrophobicContact CE3-CB 3.81Å; W170-M177 HydrophobicContact CZ3-CB 4.08Å
171	D	97.9	Very high	97.4	Very high	16 Å²	16	55.4 Å²	55.4	9%	0.086	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	115.9	176.8	-175.9	-61.5	0	0	0	109.7	A156 F169 A173 T174 G175 T176	A156-D171 WeakPolarHBondContact CB-OD2 3.48Å; F169-D171 HydrophobicContact CD1-CB 4.43Å; F169-D171 HydrophobicContact CE1-CB 3.81Å; D171-A173 VanDerWaalsContact C-N 3.31Å; D171-A173 PolarHBondContact O-N 3.32Å; D171-A173 PolarHBondContact OD1-N 3.29Å; D171-T174 VanDerWaalsContact CB-OG1 3.28Å; D171-T174 WeakPolarHBondContact CB-OG1 3.24Å; D171-T174 PolarHBondContact OD1-N 3.11Å; D171-T174 PolarHBondContact OD1-OG1 3.29Å; D171-G175 WeakPolarHBondContact O-CA 3.11Å; D171-G175 PolarHBondContact O-N 3.16Å; D171-T176 PolarHBondContact N-O 3.5Å
172	L	95.9	Very high	97.4	Very high	54 Å²	54	56.2 Å²	56.2	28%	0.283	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-25	-174.4	-78.2	168.1	0	0	0	113.3	E157 I159	E157-L172 HydrophobicContact CG-CD1 4.08Å; E157-L172 PolarHBondContact O-N 2.92Å; I159-L172 HydrophobicContact CD1-CD2 3.94Å; I159-L172 HydrophobicContact CD1-CG 4.42Å; I159-L172 HydrophobicContact CG1-CD1 4.37Å
173	A	96.1	Very high	97.2	Very high	94 Å²	94	61.8 Å²	61.8	78%	0.777	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-38.9	-179.1	0	0	0	0	0	111.7	D171	D171-A173 VanDerWaalsContact C-N 3.31Å; D171-A173 PolarHBondContact O-N 3.32Å; D171-A173 PolarHBondContact OD1-N 3.29Å
174	T	97	Very high	97.1	Very high	88 Å²	88	62.3 Å²	62.3	54%	0.54	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-18.2	-176.6	60.2	0	0	0	0	113.6	D171 T176	D171-T174 VanDerWaalsContact CB-OG1 3.28Å; D171-T174 WeakPolarHBondContact CB-OG1 3.24Å; D171-T174 PolarHBondContact OD1-N 3.11Å; D171-T174 PolarHBondContact OD1-OG1 3.29Å; T174-T176 VanDerWaalsContact C-N 3.32Å; T174-T176 PolarHBondContact OG1-OG1 3.31Å
175	G	96.6	Very high	97.2	Very high	39 Å²	39	61.2 Å²	61.2	40%	0.402	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	36.7	-173.7	0	0	0	0	0	112.2	W170 D171	W170-G175 VanDerWaalsContact CH2-C 3.45Å; W170-G175 WeakPolarHBondContact CH2-O 3.26Å; W170-G175 VanDerWaalsContact CZ2-C 3.41Å; W170-G175 VanDerWaalsContact CZ2-CA 3.46Å; W170-G175 WeakPolarHBondContact CZ2-O 3.11Å; D171-G175 WeakPolarHBondContact O-CA 3.11Å; D171-G175 PolarHBondContact O-N 3.16Å
176	T	96.7	Very high	97.3	Very high	62 Å²	62	56.8 Å²	56.8	38%	0.38	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.2	-178	65	0	0	0	0	111.8	D171 T174	D171-T176 PolarHBondContact N-O 3.5Å; T174-T176 VanDerWaalsContact C-N 3.32Å; T174-T176 PolarHBondContact OG1-OG1 3.31Å
177	M	96.4	Very high	97.3	Very high	61 Å²	61	56.1 Å²	56.1	30%	0.3	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	143.1	174.6	64.3	-175.7	-67.3	0	0	112.3	G138 I139 W168 F169 W170	G138-M177 WeakPolarHBondContact O-CE 3.34Å; I139-M177 HydrophobicContact CD1-CB 4.04Å; I139-M177 HydrophobicContact CD1-CE 3.89Å; I139-M177 HydrophobicContact CD1-SD 4.18Å; W168-M177 HydrophobicContact CB-CE 4.21Å; W168-M177 HydrophobicContact CD2-CE 4.15Å; W168-M177 HydrophobicContact CG-CE 3.57Å; W168-M177 VanDerWaalsContact NE1-CE 3.3Å; F169-M177 CarbonylContact O-C 3.33Å; F169-M177 WeakPolarHBondContact O-CA 3.1Å; W170-M177 HydrophobicContact CE3-CB 3.81Å; W170-M177 HydrophobicContact CZ3-CB 4.08Å
178	K	97.7	Very high	97.2	Very high	104 Å²	104	56.1 Å²	56.1	45%	0.452	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119.3	172.1	-64.7	179.3	-175	170.8	0	109.5	W168 F169	W168-K178 CarbonylContact C-O 3.53Å; W168-K178 WeakPolarHBondContact CA-O 3.41Å; F169-K178 PolarHBondContact N-O 3.49Å; F169-K178 PolarHBondContact O-N 3.46Å
179	K	97.9	Very high	97.2	Very high	83 Å²	83	56.6 Å²	56.6	36%	0.361	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	140.8	174.4	-167	170.7	-176.4	172.7	0	110.2	H166 K167 Y181	H166-K179 WeakPolarHBondContact CD2-CE 3.42Å; H166-K179 PolarHBondContact CD2-NZ 2.66Å; H166-K179 PolarHBondContact NE2-NZ 3.42Å; K167-K179 WeakPolarHBondContact O-CA 3.04Å; K179-Y181 HydrophobicContact CD-CE1 4.43Å
180	R	97.8	Very high	97.2	Very high	56 Å²	56	56.3 Å²	56.3	21%	0.211	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.7	178.6	-62	-61.9	-173.2	-156.9	5.1	110	K167 F169 W182	K167-R180 HydrophobicContact CB-CB 4.16Å; K167-R180 PolarHBondContact O-N 2.9Å; F169-R180 HydrophobicContact CB-CG 4.48Å; R180-W182 HydrophobicContact CB-CD2 3.72Å; R180-W182 HydrophobicContact CB-CE3 4.08Å; R180-W182 HydrophobicContact CB-CG 4.24Å; R180-W182 HydrophobicContact CB-CH2 4.19Å; R180-W182 HydrophobicContact CB-CZ2 3.84Å; R180-W182 HydrophobicContact CB-CZ3 4.3Å; R180-W182 HydrophobicContact CG-CD2 4.4Å; R180-W182 HydrophobicContact CG-CH2 3.85Å; R180-W182 HydrophobicContact CG-CZ2 3.57Å; R180-W182 HydrophobicContact CG-CZ3 4.36Å
181	Y	96.8	Very high	97.2	Very high	194 Å²	194	55.8 Å²	55.8	76%	0.761	32%	0.321	S	S	*	.			trans	-109.7	81.5	-179	-62.2	-85.1	0	0	0	108.9	K179	K179-Y181 HydrophobicContact CD-CE1 4.43Å
182	W	97.7	Very high	97.2	Very high	17 Å²	17	55.1 Å²	55.1	6%	0.064	32%	0.318	C	S	.	.			trans	-116.5	87.9	-176.9	-57.4	-30.7	0	0	0	109.8	L160 K167 R180 V185 F209 P211 V212 T213	L160-W182 HydrophobicContact CD1-CH2 4.06Å; L160-W182 HydrophobicContact CD1-CZ3 4.14Å; L160-W182 HydrophobicContact CD2-CH2 3.54Å; L160-W182 HydrophobicContact CD2-CZ3 3.83Å; L160-W182 HydrophobicContact CG-CH2 4.47Å; K167-W182 HydrophobicContact CB-CE3 4.21Å; K167-W182 HydrophobicContact CG-CE3 4.35Å; K167-W182 PolarHBondContact NZ-O 2.93Å; R180-W182 HydrophobicContact CB-CD2 3.72Å; R180-W182 HydrophobicContact CB-CE3 4.08Å; R180-W182 HydrophobicContact CB-CG 4.24Å; R180-W182 HydrophobicContact CB-CH2 4.19Å; R180-W182 HydrophobicContact CB-CZ2 3.84Å; R180-W182 HydrophobicContact CB-CZ3 4.3Å; R180-W182 HydrophobicContact CG-CD2 4.4Å; R180-W182 HydrophobicContact CG-CH2 3.85Å; R180-W182 HydrophobicContact CG-CZ2 3.57Å; R180-W182 HydrophobicContact CG-CZ3 4.36Å; W182-V185 HydrophobicContact CB-CB 4.23Å; W182-V185 HydrophobicContact CB-CG2 3.86Å; W182-V185 HydrophobicContact CE3-CG2 4.47Å; W182-F209 HydrophobicContact CZ3-CE2 4.09Å; W182-P211 WeakPolarHBondContact CH2-O 3.42Å; W182-P211 WeakPolarHBondContact CZ2-O 3.39Å; W182-V212 WeakPolarHBondContact CZ2-O 3.43Å; W182-T213 PolarHBondContact NE1-O 2.85Å
183	S	94.6	Very high	97.3	Very high	119 Å²	119	52.7 Å²	52.7	83%	0.832	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-38.6	179.8	51.1	0	0	0	0	112	V185 G186	S183-V185 PolarHBondContact O-N 2.64Å; S183-G186 PolarHBondContact O-N 3.17Å
184	A	97.3	Very high	97.4	Very high	57 Å²	57	50 Å²	50	47%	0.471	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.1	-178.4	0	0	0	0	0	114	V216	A184-V216 HydrophobicContact CB-CB 4.26Å; A184-V216 HydrophobicContact CB-CG2 3.87Å; A184-V216 WeakPolarHBondContact O-CG2 3.34Å
185	V	98.1	Very high	97.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-24.2	179.6	179.3	0	0	0	0	112	F162 W182 S183 C200 Q202 L207 F209 G214 V216	F162-V185 HydrophobicContact CE1-CG1 4.19Å; W182-V185 HydrophobicContact CB-CB 4.23Å; W182-V185 HydrophobicContact CB-CG2 3.86Å; W182-V185 HydrophobicContact CE3-CG2 4.47Å; S183-V185 PolarHBondContact O-N 2.64Å; V185-C200 HydrophobicContact CG1-CB 4Å; V185-C200 PolarHBondContact O-SG 3.39Å; V185-Q202 PolarHBondContact O-NE2 2.87Å; V185-Q202 VanDerWaalsContact O-NE2 3.07Å; V185-L207 HydrophobicContact CG1-CD1 4.36Å; V185-F209 HydrophobicContact CG2-CB 3.83Å; V185-F209 HydrophobicContact CG2-CD2 4.23Å; V185-F209 HydrophobicContact CG2-CG 4.05Å; V185-G214 WeakPolarHBondContact CG2-O 3.38Å; V185-V216 HydrophobicContact CG2-CG2 4.22Å
186	G	95.7	Very high	97.4	Very high	16 Å²	16	44.7 Å²	44.7	17%	0.165	24%	0.235	C	C	.	.			trans	59.9	-146.9	-178.3	0	0	0	0	0	113.5	K167 S183	K167-G186 WeakPolarHBondContact CE-O 3.24Å; K167-G186 PolarHBondContact NZ-O 2.83Å; S183-G186 PolarHBondContact O-N 3.17Å
187	N	97.9	Very high	97.4	Very high	72 Å²	72	42.2 Å²	42.2	39%	0.385	22%	0.219	S	C	.	.			trans	-106.2	118.4	-176.1	-65.2	-4.5	0	0	0	109.6	G164 D165 Q202	G164-N187 VanDerWaalsContact C-CG 3.48Å; G164-N187 PolarHBondContact O-OD1 2.85Å; G164-N187 VanDerWaalsContact O-OD1 3.04Å; D165-N187 WeakPolarHBondContact CA-OD1 3.36Å; D165-N187 PolarHBondContact N-OD1 3.1Å; D165-N187 VanDerWaalsContact N-OD1 3.15Å; D165-N187 PolarHBondContact OD1-OD1 2.77Å; D165-N187 PolarHBondContact OD2-ND2 3.39Å; N187-Q202 WeakPolarHBondContact O-CG 3.42Å
188	C	98.5	Very high	97.6	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.02	21%	0.205	C	C	.	.			trans	-92.4	124.7	-178	-50	0	0	0	0	109.7	D144 A145 F162 S190 C200 F201	D144-C188 WeakPolarHBondContact CB-O 3.44Å; A145-C188 HydrophobicContact CB-CB 4.08Å; F162-C188 HydrophobicContact CD1-CB 4.26Å; F162-C188 HydrophobicContact CG-CB 4.39Å; C188-S190 VanDerWaalsContact C-N 3.32Å; C188-C200 WeakPolarHBondContact CA-SG 3.49Å; C188-C200 HydrophobicContact CB-CB 4.09Å; C188-C200 WeakPolarHBondContact CB-SG 3.38Å; C188-C200 WeakPolarHBondContact SG-CB 3.4Å; C188-C200 CovalentContact SG-SG 2.03Å; C188-C200 PolarHBondContact SG-SG 2.8Å; C188-F201 CarbonylContact C-O 3.53Å; C188-F201 WeakPolarHBondContact CA-O 3.31Å
189	S	98.3	Very high	97.6	Very high	33 Å²	33	34.8 Å²	34.8	23%	0.231	19%	0.185	C	C	.	.	S	Bend	trans	-78.3	-19.1	168.6	70.3	0	0	0	0	112.7	D144 F201 G203	D144-S189 CarbonylContact O-C 3.47Å; D144-S189 VanDerWaalsContact O-O 3.05Å; S189-F201 PolarHBondContact N-O 3.35Å; S189-F201 PolarHBondContact OG-O 2.89Å; S189-G203 PolarHBondContact OG-N 2.98Å
190	S	98.7	Very high	97.6	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.007	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	169.3	165.3	63.9	0	0	0	0	109.5	T59 C188 F201	T59-S190 WeakPolarHBondContact CG2-OG 3.35Å; T59-S190 WeakPolarHBondContact OG1-CB 3.28Å; T59-S190 PolarHBondContact OG1-OG 3.22Å; T59-S190 VanDerWaalsContact OG1-OG 3.07Å; C188-S190 VanDerWaalsContact C-N 3.32Å; S190-F201 PolarHBondContact O-N 2.84Å; S190-F201 WeakPolarHBondContact OG-CB 3.34Å
191	A	98.8	Very high	97.7	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.017	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	149.5	-179.5	0	0	0	0	0	111.6	T59 A145 V147 F162 Y199	T59-A191 VanDerWaalsContact O-O 3.05Å; T59-A191 PolarHBondContact OG1-N 2.9Å; T59-A191 PolarHBondContact OG1-O 2.82Å; A145-A191 HydrophobicContact CB-CB 3.79Å; V147-A191 HydrophobicContact CB-CB 4.01Å; V147-A191 HydrophobicContact CG1-CB 4.22Å; F162-A191 HydrophobicContact CD2-CB 4.45Å; F162-A191 HydrophobicContact CE2-CB 4.11Å; A191-Y199 VanDerWaalsContact CA-O 3.24Å; A191-Y199 WeakPolarHBondContact CA-O 3.26Å; A191-Y199 WeakPolarHBondContact CB-O 3.47Å
192	L	97.6	Very high	97.7	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	140.5	-172.2	160.9	70.2	0	0	0	110.3	L61 V147 W194 Y199 F201 F228	L61-L192 HydrophobicContact CG-CD1 4.05Å; V147-L192 VanDerWaalsContact CG2-C 3.47Å; L192-W194 HydrophobicContact CD1-CB 4.36Å; L192-W194 HydrophobicContact CD2-CB 4.28Å; L192-W194 HydrophobicContact CG-CB 4.25Å; L192-Y199 HydrophobicContact CD2-CD2 4.43Å; L192-Y199 HydrophobicContact CG-CD2 4.4Å; L192-Y199 PolarHBondContact N-O 3.44Å; L192-Y199 PolarHBondContact O-N 2.78Å; L192-F201 HydrophobicContact CB-CE2 3.97Å; L192-F201 HydrophobicContact CD2-CE2 4.17Å; L192-F201 HydrophobicContact CD2-CZ 4.29Å; L192-F228 HydrophobicContact CD2-CD1 4.38Å; L192-F228 HydrophobicContact CD2-CE1 3.84Å; L192-F228 HydrophobicContact CD2-CZ 4.44Å
193	R	98.3	Very high	97.6	Very high	2 Å²	2	22 Å²	22	1%	0.008	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.3	161.4	-177.3	-174.4	168.7	-82.1	-3.2	109.4	L61 V147 H150 E153 R197 Y198	L61-R193 VanDerWaalsContact CD1-O 3.25Å; L61-R193 WeakPolarHBondContact CD1-O 3.33Å; V147-R193 HydrophobicContact CG2-CB 3.61Å; V147-R193 VanDerWaalsContact CG2-N 3.28Å; H150-R193 PolarHBondContact CD2-NE 3.07Å; E153-R193 IonicContact OE1-CZ 2.72Å; E153-R193 IonicContact OE1-NE 3.39Å; E153-R193 IonicContact OE1-NH2 3.76Å; E153-R193 PolarHBondContact OE1-NH2 3.15Å; E153-R193 IonicContact OE2-CZ 3.39Å; E153-R193 IonicContact OE2-NE 2.8Å; E153-R193 PolarHBondContact OE2-NE 3.06Å; E153-R193 IonicContact OE2-NH2 2.77Å; E153-R193 PolarHBondContact OE2-NH2 3.22Å; R193-R197 CarbonylContact C-O 3.54Å; R193-R197 VanDerWaalsContact CA-O 3.28Å; R193-R197 WeakPolarHBondContact CA-O 3.29Å; R193-Y198 HydrophobicContact CB-CD1 4.46Å; R193-Y198 HydrophobicContact CB-CE1 4.36Å; R193-Y198 HydrophobicContact CG-CE1 4.19Å; R193-Y198 HydrophobicContact CG-CE2 4.38Å
194	W	97.4	Very high	97.7	Very high	38 Å²	38	16.8 Å²	16.8	14%	0.144	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	125	173.8	-178.2	59.2	0	0	0	111.3	M67 L192 G196 R197 Y199 D290 H293 W295	M67-W194 HydrophobicContact CE-CB 4.07Å; M67-W194 HydrophobicContact CE-CD2 3.35Å; M67-W194 HydrophobicContact CE-CE3 4.08Å; M67-W194 HydrophobicContact CE-CG 3.32Å; M67-W194 HydrophobicContact CE-CZ2 4.1Å; M67-W194 VanDerWaalsContact CE-NE1 3.33Å; L192-W194 HydrophobicContact CD1-CB 4.36Å; L192-W194 HydrophobicContact CD2-CB 4.28Å; L192-W194 HydrophobicContact CG-CB 4.25Å; W194-G196 PolarHBondContact O-N 3.42Å; W194-G196 VanDerWaalsContact O-N 3.12Å; W194-R197 PolarHBondContact N-O 2.74Å; W194-R197 WeakPolarHBondContact O-CB 3.12Å; W194-R197 PolarHBondContact O-N 2.73Å; W194-Y199 HydrophobicContact CB-CE2 4.11Å; W194-D290 PolarHBondContact NE1-O 2.91Å; W194-H293 HydrophobicContact CH2-CB 3.79Å; W194-H293 AromaticContact CH2-CD2 3.99Å; W194-H293 HydrophobicContact CZ2-CB 4.36Å; W194-H293 HydrophobicContact CZ3-CB 4.4Å; W194-W295 HydrophobicContact CE3-CZ2 4.23Å; W194-W295 HydrophobicContact CH2-CZ2 4.47Å; W194-W295 AromaticContact CZ3-CH2 3.98Å; W194-W295 HydrophobicContact CZ3-CH2 3.98Å; W194-W295 AromaticContact CZ3-CZ2 3.76Å; W194-W295 HydrophobicContact CZ3-CZ2 3.76Å
195	L	96.6	Very high	97.7	Very high	7 Å²	7	18.4 Å²	18.4	4%	0.037	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	35.9	-178.2	-54.8	176.4	0	0	0	113.7	T287 D290 G291 H293	L195-T287 WeakPolarHBondContact CD2-OG1 3.46Å; L195-D290 HydrophobicContact CD2-CB 3.99Å; L195-G291 WeakPolarHBondContact CD2-O 3.27Å; L195-H293 HydrophobicContact CD1-CB 3.68Å
196	G	96.2	Very high	97.7	Very high	8 Å²	8	18.6 Å²	18.6	8%	0.082	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	12	-178.7	0	0	0	0	0	115.9	E153 W194	E153-G196 WeakPolarHBondContact OE1-CA 3.45Å; W194-G196 PolarHBondContact O-N 3.42Å; W194-G196 VanDerWaalsContact O-N 3.12Å
197	R	98.1	Very high	97.8	Very high	10 Å²	10	18.2 Å²	18.2	4%	0.038	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	141.6	179	-54.8	173.5	70.3	78	-13	109.3	R193 W194 Y199 R208 H299	R193-R197 CarbonylContact C-O 3.54Å; R193-R197 VanDerWaalsContact CA-O 3.28Å; R193-R197 WeakPolarHBondContact CA-O 3.29Å; W194-R197 PolarHBondContact N-O 2.74Å; W194-R197 WeakPolarHBondContact O-CB 3.12Å; W194-R197 PolarHBondContact O-N 2.73Å; R197-Y199 HydrophobicContact CB-CE2 3.6Å; R197-Y199 WeakPolarHBondContact CD-OH 3.29Å; R197-Y199 PolarHBondContact NE-OH 2.68Å; R197-Y199 WeakPolarHBondContact O-CD2 3.28Å; R197-Y199 WeakPolarHBondContact O-CE2 3.32Å; R197-R208 VanDerWaalsContact CZ-CD 3.41Å; R197-R208 VanDerWaalsContact NH2-CZ 3.32Å; R197-H299 PolarHBondContact NH2-ND1 3.4Å
198	Y	98.7	Very high	97.8	Very high	3 Å²	3	16.5 Å²	16.5	1%	0.012	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.2	-172.2	-65.1	-102.7	0	0	0	110.2	V147 E148 C149 H150 E153 R193 R208 F209 P211	V147-Y198 HydrophobicContact CG1-CD1 4.27Å; V147-Y198 HydrophobicContact CG2-CD1 4.19Å; V147-Y198 HydrophobicContact CG2-CE1 4.5Å; E148-Y198 VanDerWaalsContact O-CE1 3.26Å; E148-Y198 WeakPolarHBondContact O-CE1 3.41Å; C149-Y198 WeakPolarHBondContact CA-OH 3.43Å; C149-Y198 HydrophobicContact CB-CE1 4Å; C149-Y198 VanDerWaalsContact SG-CE1 3.52Å; C149-Y198 VanDerWaalsContact SG-CZ 3.54Å; C149-Y198 PolarHBondContact SG-OH 3.48Å; H150-Y198 PolarHBondContact N-OH 2.89Å; E153-Y198 HydrophobicContact CB-CE2 4.01Å; E153-Y198 WeakPolarHBondContact CB-OH 3.31Å; E153-Y198 HydrophobicContact CG-CE2 4.5Å; E153-Y198 WeakPolarHBondContact OE2-CE2 3.29Å; E153-Y198 VanDerWaalsContact OE2-CZ 3.23Å; E153-Y198 PolarHBondContact OE2-OH 2.88Å; R193-Y198 HydrophobicContact CB-CD1 4.46Å; R193-Y198 HydrophobicContact CB-CE1 4.36Å; R193-Y198 HydrophobicContact CG-CE1 4.19Å; R193-Y198 HydrophobicContact CG-CE2 4.38Å; Y198-R208 VanDerWaalsContact O-CA 3.29Å; Y198-R208 WeakPolarHBondContact O-CA 3.47Å; Y198-R208 WeakPolarHBondContact O-CG 3.3Å; Y198-F209 HydrophobicContact CD1-CZ 4.48Å; Y198-F209 WeakPolarHBondContact O-CD1 3.46Å; Y198-F209 PolarHBondContact O-N 2.92Å; Y198-P211 HydrophobicContact CD1-CB 3.9Å; Y198-P211 HydrophobicContact CD1-CG 4.45Å; Y198-P211 HydrophobicContact CD2-CB 3.98Å; Y198-P211 HydrophobicContact CD2-CG 3.67Å; Y198-P211 HydrophobicContact CE1-CB 3.96Å; Y198-P211 HydrophobicContact CE1-CG 4.34Å; Y198-P211 HydrophobicContact CE2-CB 4.11Å; Y198-P211 HydrophobicContact CE2-CG 3.62Å; Y198-P211 HydrophobicContact CG-CB 3.9Å; Y198-P211 HydrophobicContact CG-CG 4.13Å
199	Y	98.7	Very high	97.8	Very high	7 Å²	7	16.5 Å²	16.5	3%	0.027	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.3	-173.9	-57.9	-85.5	0	0	0	110.3	A191 L192 W194 R197 F206 L207 R208 F228	A191-Y199 VanDerWaalsContact CA-O 3.24Å; A191-Y199 WeakPolarHBondContact CA-O 3.26Å; A191-Y199 WeakPolarHBondContact CB-O 3.47Å; L192-Y199 HydrophobicContact CD2-CD2 4.43Å; L192-Y199 HydrophobicContact CG-CD2 4.4Å; L192-Y199 PolarHBondContact N-O 3.44Å; L192-Y199 PolarHBondContact O-N 2.78Å; W194-Y199 HydrophobicContact CB-CE2 4.11Å; R197-Y199 HydrophobicContact CB-CE2 3.6Å; R197-Y199 WeakPolarHBondContact CD-OH 3.29Å; R197-Y199 PolarHBondContact NE-OH 2.68Å; R197-Y199 WeakPolarHBondContact O-CD2 3.28Å; R197-Y199 WeakPolarHBondContact O-CE2 3.32Å; Y199-F206 AromaticContact CD1-CD2 3.78Å; Y199-F206 HydrophobicContact CD1-CD2 3.78Å; Y199-F206 AromaticContact CD1-CE2 3.99Å; Y199-F206 HydrophobicContact CD1-CE2 3.99Å; Y199-F206 HydrophobicContact CE1-CD2 4.34Å; Y199-F206 HydrophobicContact CE1-CE2 4.07Å; Y199-L207 CarbonylContact C-O 3.33Å; Y199-L207 VanDerWaalsContact CA-O 3.3Å; Y199-L207 WeakPolarHBondContact CA-O 3.33Å; Y199-R208 HydrophobicContact CD1-CB 4.2Å; Y199-R208 HydrophobicContact CE1-CB 4.21Å; Y199-R208 HydrophobicContact CE1-CG 4.44Å; Y199-F228 HydrophobicContact CD1-CE2 4.42Å; Y199-F228 AromaticContact CD1-CZ 3.94Å; Y199-F228 HydrophobicContact CD1-CZ 3.94Å; Y199-F228 HydrophobicContact CD2-CZ 4.26Å; Y199-F228 AromaticContact CE1-CZ 3.94Å; Y199-F228 HydrophobicContact CE1-CZ 3.94Å; Y199-F228 HydrophobicContact CE2-CZ 4.3Å; Y199-F228 HydrophobicContact CG-CZ 4.07Å
200	C	98.8	Very high	97.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.2	169.8	168	0	0	0	0	107.1	V185 C188 F206 L207 F209	V185-C200 HydrophobicContact CG1-CB 4Å; V185-C200 PolarHBondContact O-SG 3.39Å; C188-C200 WeakPolarHBondContact CA-SG 3.49Å; C188-C200 HydrophobicContact CB-CB 4.09Å; C188-C200 WeakPolarHBondContact CB-SG 3.38Å; C188-C200 WeakPolarHBondContact SG-CB 3.4Å; C188-C200 CovalentContact SG-SG 2.03Å; C188-C200 PolarHBondContact SG-SG 2.8Å; C200-F206 CarbonylContact O-C 3.48Å; C200-F206 VanDerWaalsContact O-CA 3.29Å; C200-F206 WeakPolarHBondContact O-CA 3.34Å; C200-L207 HydrophobicContact CB-CD1 3.66Å; C200-L207 HydrophobicContact CB-CG 3.99Å; C200-L207 PolarHBondContact N-O 3.44Å; C200-L207 PolarHBondContact O-N 2.9Å; C200-F209 HydrophobicContact CB-CD1 4.15Å; C200-F209 HydrophobicContact CB-CE1 4.16Å
201	F	98.6	Very high	97.8	Very high	1 Å²	1	18 Å²	18	0%	0.004	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	138.3	176	-71.8	-106.9	0	0	0	109	F69 C188 S189 S190 L192 Q205 F206 V224 F228	F69-F201 HydrophobicContact CE1-CZ 4.5Å; C188-F201 CarbonylContact C-O 3.53Å; C188-F201 WeakPolarHBondContact CA-O 3.31Å; S189-F201 PolarHBondContact N-O 3.35Å; S189-F201 PolarHBondContact OG-O 2.89Å; S190-F201 PolarHBondContact O-N 2.84Å; S190-F201 WeakPolarHBondContact OG-CB 3.34Å; L192-F201 HydrophobicContact CB-CE2 3.97Å; L192-F201 HydrophobicContact CD2-CE2 4.17Å; L192-F201 HydrophobicContact CD2-CZ 4.29Å; F201-Q205 CarbonylContact C-O 3.59Å; F201-Q205 WeakPolarHBondContact CA-O 3.2Å; F201-F206 HydrophobicContact CD1-CB 4.1Å; F201-F206 HydrophobicContact CE1-CB 4.26Å; F201-F206 HydrophobicContact CG-CB 4.27Å; F201-V224 HydrophobicContact CD1-CG1 4.45Å; F201-V224 HydrophobicContact CD1-CG2 3.49Å; F201-V224 VanDerWaalsContact CD1-CG2 3.49Å; F201-V224 HydrophobicContact CE1-CB 4.43Å; F201-V224 HydrophobicContact CE1-CG1 3.96Å; F201-V224 HydrophobicContact CE1-CG2 3.58Å; F201-F228 HydrophobicContact CE1-CD2 4.02Å; F201-F228 HydrophobicContact CE1-CE2 4.32Å; F201-F228 HydrophobicContact CE1-CG 4.45Å; F201-F228 HydrophobicContact CZ-CD1 4.45Å; F201-F228 AromaticContact CZ-CD2 3.87Å; F201-F228 HydrophobicContact CZ-CD2 3.87Å; F201-F228 HydrophobicContact CZ-CE1 4.44Å; F201-F228 AromaticContact CZ-CE2 3.84Å; F201-F228 HydrophobicContact CZ-CE2 3.84Å; F201-F228 HydrophobicContact CZ-CG 4.18Å; F201-F228 HydrophobicContact CZ-CZ 4.14Å
202	Q	97.5	Very high	97.7	Very high	61 Å²	61	19.3 Å²	19.3	29%	0.285	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	74	178.4	-58	-172.8	-30.6	0	0	107	V185 N187 N204 Q205	V185-Q202 PolarHBondContact O-NE2 2.87Å; V185-Q202 VanDerWaalsContact O-NE2 3.07Å; N187-Q202 WeakPolarHBondContact O-CG 3.42Å; Q202-N204 PolarHBondContact O-N 3Å; Q202-Q205 HydrophobicContact CB-CB 4.5Å; Q202-Q205 PolarHBondContact N-O 3.01Å; Q202-Q205 PolarHBondContact O-N 2.94Å
203	G	95.3	Very high	97.7	Very high	18 Å²	18	22.4 Å²	22.4	19%	0.186	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	-120	-169.1	0	0	0	0	0	112	S189 Q205	S189-G203 PolarHBondContact OG-N 2.98Å; G203-Q205 VanDerWaalsContact C-N 3.27Å
204	N	96.1	Very high	97.7	Very high	11 Å²	11	22.4 Å²	22.4	6%	0.059	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	1.5	176.3	-96.6	-21.1	0	0	0	114.2	S51 D52 W54 Q202 V224	S51-N204 PolarHBondContact O-ND2 2.93Å; D52-N204 VanDerWaalsContact C-ND2 3.3Å; D52-N204 PolarHBondContact O-ND2 2.9Å; W54-N204 PolarHBondContact N-ND2 3.15Å; W54-N204 PolarHBondContact O-N 3.11Å; W54-N204 PolarHBondContact O-ND2 2.77Å; W54-N204 PolarHBondContact O-OD1 2.82Å; W54-N204 VanDerWaalsContact O-OD1 3.11Å; Q202-N204 PolarHBondContact O-N 3Å; N204-V224 WeakPolarHBondContact O-CB 3.28Å; N204-V224 VanDerWaalsContact O-CG2 3.31Å; N204-V224 WeakPolarHBondContact O-CG2 3.5Å; N204-V224 PolarHBondContact O-N 2.93Å
205	Q	97.5	Very high	97.7	Very high	90 Å²	90	26.9 Å²	26.9	42%	0.421	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	160.3	174.1	-71.3	-173.9	-33.7	0	0	110.8	F201 Q202 G203 P221 L222	F201-Q205 CarbonylContact C-O 3.59Å; F201-Q205 WeakPolarHBondContact CA-O 3.2Å; Q202-Q205 HydrophobicContact CB-CB 4.5Å; Q202-Q205 PolarHBondContact N-O 3.01Å; Q202-Q205 PolarHBondContact O-N 2.94Å; G203-Q205 VanDerWaalsContact C-N 3.27Å; Q205-P221 HydrophobicContact CB-CB 4Å; Q205-P221 HydrophobicContact CG-CB 4.4Å; Q205-L222 CarbonylContact C-O 3.55Å; Q205-L222 VanDerWaalsContact CA-O 3.26Å; Q205-L222 WeakPolarHBondContact CA-O 3.47Å
206	F	98.3	Very high	97.7	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	155.1	170.2	73.5	-84.3	0	0	0	111.3	Y199 C200 F201 Y220 P221 L222 V224 Y227 F228	Y199-F206 AromaticContact CD1-CD2 3.78Å; Y199-F206 HydrophobicContact CD1-CD2 3.78Å; Y199-F206 AromaticContact CD1-CE2 3.99Å; Y199-F206 HydrophobicContact CD1-CE2 3.99Å; Y199-F206 HydrophobicContact CE1-CD2 4.34Å; Y199-F206 HydrophobicContact CE1-CE2 4.07Å; C200-F206 CarbonylContact O-C 3.48Å; C200-F206 VanDerWaalsContact O-CA 3.29Å; C200-F206 WeakPolarHBondContact O-CA 3.34Å; F201-F206 HydrophobicContact CD1-CB 4.1Å; F201-F206 HydrophobicContact CE1-CB 4.26Å; F201-F206 HydrophobicContact CG-CB 4.27Å; F206-Y220 HydrophobicContact CD2-CE1 4.05Å; F206-Y220 AromaticContact CE2-CE1 3.73Å; F206-Y220 HydrophobicContact CE2-CE1 3.73Å; F206-Y220 WeakPolarHBondContact O-CD1 3.27Å; F206-P221 WeakPolarHBondContact O-CA 3.29Å; F206-L222 HydrophobicContact CD1-CB 4.22Å; F206-L222 WeakPolarHBondContact CD1-O 3.25Å; F206-L222 HydrophobicContact CE1-CB 3.6Å; F206-L222 HydrophobicContact CE2-CB 4.31Å; F206-L222 HydrophobicContact CE2-CD1 4.42Å; F206-L222 HydrophobicContact CZ-CB 3.67Å; F206-L222 HydrophobicContact CZ-CD1 4.02Å; F206-L222 HydrophobicContact CZ-CG 4.46Å; F206-L222 PolarHBondContact N-O 3.2Å; F206-L222 PolarHBondContact O-N 3.41Å; F206-V224 HydrophobicContact CB-CG2 4.21Å; F206-V224 HydrophobicContact CD1-CG2 3.88Å; F206-Y227 AromaticContact CE1-CD2 3.75Å; F206-Y227 HydrophobicContact CE1-CD2 3.75Å; F206-Y227 HydrophobicContact CE1-CG 4.03Å; F206-Y227 AromaticContact CZ-CD2 3.82Å; F206-Y227 HydrophobicContact CZ-CD2 3.82Å; F206-Y227 HydrophobicContact CZ-CE2 4.5Å; F206-Y227 AromaticContact CZ-CG 3.82Å; F206-Y227 HydrophobicContact CZ-CG 3.82Å; F206-F228 HydrophobicContact CD1-CD2 4.1Å; F206-F228 AromaticContact CD1-CE2 3.91Å; F206-F228 HydrophobicContact CD1-CE2 3.91Å; F206-F228 AromaticContact CD2-CE2 3.77Å; F206-F228 HydrophobicContact CD2-CE2 3.77Å; F206-F228 AromaticContact CE1-CD2 4Å; F206-F228 HydrophobicContact CE1-CD2 4Å; F206-F228 AromaticContact CE1-CE2 3.82Å; F206-F228 HydrophobicContact CE1-CE2 3.82Å; F206-F228 AromaticContact CE2-CE2 3.65Å; F206-F228 HydrophobicContact CE2-CE2 3.65Å; F206-F228 HydrophobicContact CE2-CZ 4.38Å; F206-F228 HydrophobicContact CG-CD2 4.45Å; F206-F228 AromaticContact CG-CE2 3.88Å; F206-F228 HydrophobicContact CG-CE2 3.88Å; F206-F228 HydrophobicContact CZ-CD2 4.25Å; F206-F228 AromaticContact CZ-CE2 3.68Å; F206-F228 HydrophobicContact CZ-CE2 3.68Å
207	L	98.6	Very high	97.7	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.042	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	152.1	168.7	62.6	82.2	0	0	0	110.9	V185 Y199 C200 F209 V216 Y220	V185-L207 HydrophobicContact CG1-CD1 4.36Å; Y199-L207 CarbonylContact C-O 3.33Å; Y199-L207 VanDerWaalsContact CA-O 3.3Å; Y199-L207 WeakPolarHBondContact CA-O 3.33Å; C200-L207 HydrophobicContact CB-CD1 3.66Å; C200-L207 HydrophobicContact CB-CG 3.99Å; C200-L207 PolarHBondContact N-O 3.44Å; C200-L207 PolarHBondContact O-N 2.9Å; L207-F209 HydrophobicContact CD1-CB 4.12Å; L207-F209 HydrophobicContact CD1-CD1 4.19Å; L207-V216 HydrophobicContact CB-CG1 4.07Å; L207-V216 HydrophobicContact CD1-CG1 4.39Å; L207-V216 HydrophobicContact CD1-CG2 3.77Å; L207-V216 HydrophobicContact CD2-CG2 4.39Å; L207-Y220 VanDerWaalsContact CA-CD1 3.45Å; L207-Y220 HydrophobicContact CB-CD1 4.09Å; L207-Y220 HydrophobicContact CB-CG 3.99Å
208	R	98.4	Very high	97.5	Very high	37 Å²	37	34.7 Å²	34.7	14%	0.14	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	141.5	167.4	-178.3	178.2	64.3	100.1	-13	109	R197 Y198 Y199 P217 Y220	R197-R208 VanDerWaalsContact CZ-CD 3.41Å; R197-R208 VanDerWaalsContact NH2-CZ 3.32Å; Y198-R208 VanDerWaalsContact O-CA 3.29Å; Y198-R208 WeakPolarHBondContact O-CA 3.47Å; Y198-R208 WeakPolarHBondContact O-CG 3.3Å; Y199-R208 HydrophobicContact CD1-CB 4.2Å; Y199-R208 HydrophobicContact CE1-CB 4.21Å; Y199-R208 HydrophobicContact CE1-CG 4.44Å; R208-P217 VanDerWaalsContact NH2-CG 3.27Å; R208-P217 WeakPolarHBondContact O-CD 3.45Å; R208-Y220 HydrophobicContact CB-CD2 4.44Å; R208-Y220 HydrophobicContact CB-CE1 4.18Å; R208-Y220 HydrophobicContact CB-CE2 3.55Å; R208-Y220 WeakPolarHBondContact CB-OH 3.43Å
209	F	98.4	Very high	97.3	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.013	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	158.6	177	67.8	-80.4	0	0	0	112.1	L160 F162 W182 V185 Y198 C200 L207 P211 E215 V216	L160-F209 HydrophobicContact CD1-CE2 3.98Å; L160-F209 HydrophobicContact CD1-CZ 4.25Å; F162-F209 AromaticContact CZ-CZ 3.96Å; F162-F209 HydrophobicContact CZ-CZ 3.96Å; W182-F209 HydrophobicContact CZ3-CE2 4.09Å; V185-F209 HydrophobicContact CG2-CB 3.83Å; V185-F209 HydrophobicContact CG2-CD2 4.23Å; V185-F209 HydrophobicContact CG2-CG 4.05Å; Y198-F209 HydrophobicContact CD1-CZ 4.48Å; Y198-F209 WeakPolarHBondContact O-CD1 3.46Å; Y198-F209 PolarHBondContact O-N 2.92Å; C200-F209 HydrophobicContact CB-CD1 4.15Å; C200-F209 HydrophobicContact CB-CE1 4.16Å; L207-F209 HydrophobicContact CD1-CB 4.12Å; L207-F209 HydrophobicContact CD1-CD1 4.19Å; F209-P211 HydrophobicContact CE2-CB 4.36Å; F209-E215 CarbonylContact C-O 3.4Å; F209-E215 VanDerWaalsContact CA-O 3.29Å; F209-E215 WeakPolarHBondContact CA-O 3.31Å; F209-V216 HydrophobicContact CB-CG2 4.16Å
210	N	98	Very high	97.2	Very high	52 Å²	52	47.6 Å²	47.6	28%	0.278	24%	0.24	S	C	.	.			trans	-80.2	124.3	166.7	178.3	-55	0	0	0	109	V212 T213 G214 E215	N210-V212 PolarHBondContact O-N 2.86Å; N210-V212 VanDerWaalsContact O-N 3.15Å; N210-V212 WeakPolarHBondContact OD1-CA 3.25Å; N210-V212 WeakPolarHBondContact OD1-CB 3.49Å; N210-V212 PolarHBondContact OD1-N 3.41Å; N210-T213 VanDerWaalsContact CB-OG1 3.29Å; N210-T213 WeakPolarHBondContact CB-OG1 3.48Å; N210-T213 VanDerWaalsContact CG-OG1 3.27Å; N210-T213 PolarHBondContact OD1-N 3.4Å; N210-T213 PolarHBondContact OD1-OG1 2.76Å; N210-G214 VanDerWaalsContact O-CA 3.3Å; N210-G214 WeakPolarHBondContact O-CA 3.37Å; N210-G214 PolarHBondContact O-N 2.66Å; N210-E215 PolarHBondContact N-O 3.26Å
211	P	98.1	Very high	97.1	Very high	12 Å²	12	50.6 Å²	50.6	8%	0.078	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-4.4	-172.3	34.3	-40.4	0	0	0	114.5	L160 W182 Y198 F209	L160-P211 HydrophobicContact CD1-CB 4.03Å; W182-P211 WeakPolarHBondContact CH2-O 3.42Å; W182-P211 WeakPolarHBondContact CZ2-O 3.39Å; Y198-P211 HydrophobicContact CD1-CB 3.9Å; Y198-P211 HydrophobicContact CD1-CG 4.45Å; Y198-P211 HydrophobicContact CD2-CB 3.98Å; Y198-P211 HydrophobicContact CD2-CG 3.67Å; Y198-P211 HydrophobicContact CE1-CB 3.96Å; Y198-P211 HydrophobicContact CE1-CG 4.34Å; Y198-P211 HydrophobicContact CE2-CB 4.11Å; Y198-P211 HydrophobicContact CE2-CG 3.62Å; Y198-P211 HydrophobicContact CG-CB 3.9Å; Y198-P211 HydrophobicContact CG-CG 4.13Å; F209-P211 HydrophobicContact CE2-CB 4.36Å
212	V	97.4	Very high	97.1	Very high	31 Å²	31	52.8 Å²	52.8	19%	0.188	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-51.5	175.7	-179.1	0	0	0	0	110.7	E153 Q155 W182 N210	E153-V212 WeakPolarHBondContact O-CG2 3.48Å; Q155-V212 HydrophobicContact CG-CG1 4.27Å; Q155-V212 HydrophobicContact CG-CG2 4.39Å; W182-V212 WeakPolarHBondContact CZ2-O 3.43Å; N210-V212 PolarHBondContact O-N 2.86Å; N210-V212 VanDerWaalsContact O-N 3.15Å; N210-V212 WeakPolarHBondContact OD1-CA 3.25Å; N210-V212 WeakPolarHBondContact OD1-CB 3.49Å; N210-V212 PolarHBondContact OD1-N 3.41Å
213	T	96.9	Very high	97	Very high	67 Å²	67	51.2 Å²	51.2	41%	0.411	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-23.1	-174.2	65.5	0	0	0	0	113.2	W182 N210 E215	W182-T213 PolarHBondContact NE1-O 2.85Å; N210-T213 VanDerWaalsContact CB-OG1 3.29Å; N210-T213 WeakPolarHBondContact CB-OG1 3.48Å; N210-T213 VanDerWaalsContact CG-OG1 3.27Å; N210-T213 PolarHBondContact OD1-N 3.4Å; N210-T213 PolarHBondContact OD1-OG1 2.76Å; T213-E215 PolarHBondContact O-N 3.35Å; T213-E215 WeakPolarHBondContact OG1-CB 3.37Å; T213-E215 WeakPolarHBondContact OG1-CG 3.28Å; T213-E215 PolarHBondContact OG1-N 2.81Å
214	G	97.8	Very high	97	Very high	3 Å²	3	50.3 Å²	50.3	3%	0.031	26%	0.256	C	S	.	.			trans	73	8.8	-171.4	0	0	0	0	0	113.9	V185 N210	V185-G214 WeakPolarHBondContact CG2-O 3.38Å; N210-G214 VanDerWaalsContact O-CA 3.3Å; N210-G214 WeakPolarHBondContact O-CA 3.37Å; N210-G214 PolarHBondContact O-N 2.66Å
215	E	97.3	Very high	96.9	Very high	132 Å²	132	50.7 Å²	50.7	62%	0.617	26%	0.256	S	S	*	.			trans	-66.8	134	177.8	-72.8	175.1	166.6	0	0	110.9	F209 N210 T213	F209-E215 CarbonylContact C-O 3.4Å; F209-E215 VanDerWaalsContact CA-O 3.29Å; F209-E215 WeakPolarHBondContact CA-O 3.31Å; N210-E215 PolarHBondContact N-O 3.26Å; T213-E215 PolarHBondContact O-N 3.35Å; T213-E215 WeakPolarHBondContact OG1-CB 3.37Å; T213-E215 WeakPolarHBondContact OG1-CG 3.28Å; T213-E215 PolarHBondContact OG1-N 2.81Å
216	V	98.1	Very high	96.7	Very high	40 Å²	40	48.4 Å²	48.4	24%	0.242	25%	0.247	C	C	.	.			trans	-105.4	119.3	174.2	179.4	0	0	0	0	107.8	A184 V185 L207 F209 Y220	A184-V216 HydrophobicContact CB-CB 4.26Å; A184-V216 HydrophobicContact CB-CG2 3.87Å; A184-V216 WeakPolarHBondContact O-CG2 3.34Å; V185-V216 HydrophobicContact CG2-CG2 4.22Å; L207-V216 HydrophobicContact CB-CG1 4.07Å; L207-V216 HydrophobicContact CD1-CG1 4.39Å; L207-V216 HydrophobicContact CD1-CG2 3.77Å; L207-V216 HydrophobicContact CD2-CG2 4.39Å; F209-V216 HydrophobicContact CB-CG2 4.16Å; V216-Y220 HydrophobicContact CG1-CD2 4.04Å; V216-Y220 HydrophobicContact CG1-CG 4.25Å
217	P	95.4	Very high	96.5	Very high	34 Å²	34	52.9 Å²	52.9	22%	0.221	26%	0.264	C	S	.	.			trans	-58.7	159.4	176.3	-20.6	31.2	0	0	0	112	R208 Y220	R208-P217 VanDerWaalsContact NH2-CG 3.27Å; R208-P217 WeakPolarHBondContact O-CD 3.45Å; P217-Y220 HydrophobicContact CB-CD2 4.41Å; P217-Y220 HydrophobicContact CB-CE2 4.31Å; P217-Y220 HydrophobicContact CG-CE2 4.32Å; P217-Y220 WeakPolarHBondContact O-CD2 3.38Å
218	P	94.4	Very high	96.1	Very high	114 Å²	114	53.8 Å²	53.8	74%	0.74	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	160.1	174.3	27.9	-35.5	0	0	0	111.4
219	R	93	Very high	95.7	Very high	227 Å²	227	52.2 Å²	52.2	86%	0.857	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	13.9	-179.9	-47.4	177.1	178.2	-177.8	-0.6	116.2	L222	R219-L222 VanDerWaalsContact O-CD2 3.3Å; R219-L222 WeakPolarHBondContact O-CD2 3.4Å
220	Y	97.3	Very high	95.2	Very high	55 Å²	55	55.7 Å²	55.7	22%	0.216	29%	0.285	C	S	.	.			trans	-101.6	154.8	167.1	-74	-69	0	0	0	111.2	F206 L207 R208 V216 P217 L222	F206-Y220 HydrophobicContact CD2-CE1 4.05Å; F206-Y220 AromaticContact CE2-CE1 3.73Å; F206-Y220 HydrophobicContact CE2-CE1 3.73Å; F206-Y220 WeakPolarHBondContact O-CD1 3.27Å; L207-Y220 VanDerWaalsContact CA-CD1 3.45Å; L207-Y220 HydrophobicContact CB-CD1 4.09Å; L207-Y220 HydrophobicContact CB-CG 3.99Å; R208-Y220 HydrophobicContact CB-CD2 4.44Å; R208-Y220 HydrophobicContact CB-CE1 4.18Å; R208-Y220 HydrophobicContact CB-CE2 3.55Å; R208-Y220 WeakPolarHBondContact CB-OH 3.43Å; V216-Y220 HydrophobicContact CG1-CD2 4.04Å; V216-Y220 HydrophobicContact CG1-CG 4.25Å; P217-Y220 HydrophobicContact CB-CD2 4.41Å; P217-Y220 HydrophobicContact CB-CE2 4.31Å; P217-Y220 HydrophobicContact CG-CE2 4.32Å; P217-Y220 WeakPolarHBondContact O-CD2 3.38Å; Y220-L222 HydrophobicContact CD1-CB 4.3Å; Y220-L222 HydrophobicContact CD1-CD1 4.09Å; Y220-L222 HydrophobicContact CD1-CG 3.82Å; Y220-L222 HydrophobicContact CE1-CB 4.37Å; Y220-L222 HydrophobicContact CE1-CD1 3.62Å; Y220-L222 HydrophobicContact CE1-CG 3.88Å
221	P	97.7	Very high	94.9	Very high	63 Å²	63	53.7 Å²	53.7	41%	0.409	28%	0.275	S	S	.	.			cis	-74	160.3	-0.5	30.5	-34.7	0	0	0	113.9	Q205 F206	Q205-P221 HydrophobicContact CB-CB 4Å; Q205-P221 HydrophobicContact CG-CB 4.4Å; F206-P221 WeakPolarHBondContact O-CA 3.29Å
222	L	97.1	Very high	94.5	Very high	46 Å²	46	57.9 Å²	57.9	24%	0.241	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	161.4	169.6	-64.9	176.3	0	0	0	109.6	Q205 F206 R219 Y220 Y227	Q205-L222 CarbonylContact C-O 3.55Å; Q205-L222 VanDerWaalsContact CA-O 3.26Å; Q205-L222 WeakPolarHBondContact CA-O 3.47Å; F206-L222 HydrophobicContact CD1-CB 4.22Å; F206-L222 WeakPolarHBondContact CD1-O 3.25Å; F206-L222 HydrophobicContact CE1-CB 3.6Å; F206-L222 HydrophobicContact CE2-CB 4.31Å; F206-L222 HydrophobicContact CE2-CD1 4.42Å; F206-L222 HydrophobicContact CZ-CB 3.67Å; F206-L222 HydrophobicContact CZ-CD1 4.02Å; F206-L222 HydrophobicContact CZ-CG 4.46Å; F206-L222 PolarHBondContact N-O 3.2Å; F206-L222 PolarHBondContact O-N 3.41Å; R219-L222 VanDerWaalsContact O-CD2 3.3Å; R219-L222 WeakPolarHBondContact O-CD2 3.4Å; Y220-L222 HydrophobicContact CD1-CB 4.3Å; Y220-L222 HydrophobicContact CD1-CD1 4.09Å; Y220-L222 HydrophobicContact CD1-CG 3.82Å; Y220-L222 HydrophobicContact CE1-CB 4.37Å; Y220-L222 HydrophobicContact CE1-CD1 3.62Å; Y220-L222 HydrophobicContact CE1-CG 3.88Å; L222-Y227 HydrophobicContact CB-CD2 4.3Å; L222-Y227 HydrophobicContact CB-CE2 3.97Å; L222-Y227 HydrophobicContact CD1-CE1 4.47Å; L222-Y227 HydrophobicContact CD1-CE2 3.88Å; L222-Y227 HydrophobicContact CD2-CE2 4.4Å; L222-Y227 HydrophobicContact CG-CE2 4.31Å
223	D	96.7	Very high	94.1	Very high	28 Å²	28	60.9 Å²	60.9	15%	0.15	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.6	-178.5	-165.6	-48.3	0	0	0	111.2	R225 D226 Y227 R234	D223-R225 PolarHBondContact O-N 3.15Å; D223-R225 VanDerWaalsContact OD1-CB 3.23Å; D223-R225 WeakPolarHBondContact OD1-CB 3.39Å; D223-R225 WeakPolarHBondContact OD1-CG 3.44Å; D223-R225 IonicContact OD1-CZ 2.68Å; D223-R225 PolarHBondContact OD1-N 2.6Å; D223-R225 IonicContact OD1-NE 3.28Å; D223-R225 PolarHBondContact OD1-NE 3.06Å; D223-R225 IonicContact OD1-NH2 2.89Å; D223-R225 IonicContact OD2-CZ 3.38Å; D223-R225 IonicContact OD2-NE 2.88Å; D223-R225 PolarHBondContact OD2-NE 3.4Å; D223-R225 IonicContact OD2-NH2 3.61Å; D223-R225 PolarHBondContact OD2-NH2 3.34Å; D223-D226 WeakPolarHBondContact CB-OD2 3.48Å; D223-D226 PolarHBondContact O-N 2.93Å; D223-D226 VanDerWaalsContact O-N 3.13Å; D223-Y227 WeakPolarHBondContact O-CD2 3.36Å; D223-R234 IonicContact OD1-NH2 3.75Å; D223-R234 IonicContact OD2-CZ 2.87Å; D223-R234 IonicContact OD2-NH1 2.81Å; D223-R234 PolarHBondContact OD2-NH1 2.83Å; D223-R234 IonicContact OD2-NH2 3.7Å; D223-R234 PolarHBondContact OD2-NH2 3.22Å
224	V	95.6	Very high	93.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-57.9	-34.8	-178.6	173.7	0	0	0	0	111.6	F201 N204 F206 D226 Y227 F228 M229	F201-V224 HydrophobicContact CD1-CG1 4.45Å; F201-V224 HydrophobicContact CD1-CG2 3.49Å; F201-V224 VanDerWaalsContact CD1-CG2 3.49Å; F201-V224 HydrophobicContact CE1-CB 4.43Å; F201-V224 HydrophobicContact CE1-CG1 3.96Å; F201-V224 HydrophobicContact CE1-CG2 3.58Å; N204-V224 WeakPolarHBondContact O-CB 3.28Å; N204-V224 VanDerWaalsContact O-CG2 3.31Å; N204-V224 WeakPolarHBondContact O-CG2 3.5Å; N204-V224 PolarHBondContact O-N 2.93Å; F206-V224 HydrophobicContact CB-CG2 4.21Å; F206-V224 HydrophobicContact CD1-CG2 3.88Å; V224-D226 PolarHBondContact O-N 2.86Å; V224-Y227 PolarHBondContact O-N 3.2Å; V224-F228 HydrophobicContact CG1-CB 4.15Å; V224-F228 PolarHBondContact O-N 2.8Å; V224-M229 HydrophobicContact CG1-CB 4.4Å; V224-M229 PolarHBondContact O-N 3.4Å; V224-M229 VanDerWaalsContact O-N 3.15Å
225	R	93.4	Very high	93.1	Very high	19 Å²	19	64.1 Å²	64.1	7%	0.072	36%	0.357	C	S	.	.	H	α-helix	trans	-71.8	-11.9	-177.5	-59.1	173.6	-69.2	180	-6.9	113.9	C50 D52 D223 M229 C231	C50-R225 WeakPolarHBondContact O-CD 3.43Å; C50-R225 PolarHBondContact O-NH1 2.82Å; D52-R225 IonicContact OD1-CZ 3.6Å; D52-R225 VanDerWaalsContact OD1-CZ 3.31Å; D52-R225 IonicContact OD1-NH1 2.78Å; D52-R225 PolarHBondContact OD1-NH1 2.95Å; D52-R225 IonicContact OD1-NH2 3.97Å; D52-R225 PolarHBondContact OD1-NH2 3.06Å; D223-R225 PolarHBondContact O-N 3.15Å; D223-R225 VanDerWaalsContact OD1-CB 3.23Å; D223-R225 WeakPolarHBondContact OD1-CB 3.39Å; D223-R225 WeakPolarHBondContact OD1-CG 3.44Å; D223-R225 IonicContact OD1-CZ 2.68Å; D223-R225 PolarHBondContact OD1-N 2.6Å; D223-R225 IonicContact OD1-NE 3.28Å; D223-R225 PolarHBondContact OD1-NE 3.06Å; D223-R225 IonicContact OD1-NH2 2.89Å; D223-R225 IonicContact OD2-CZ 3.38Å; D223-R225 IonicContact OD2-NE 2.88Å; D223-R225 PolarHBondContact OD2-NE 3.4Å; D223-R225 IonicContact OD2-NH2 3.61Å; D223-R225 PolarHBondContact OD2-NH2 3.34Å; R225-M229 CarbonylContact C-O 3.6Å; R225-M229 HydrophobicContact CG-CE 3.54Å; R225-C231 HydrophobicContact CB-CB 4.11Å
226	D	93.4	Very high	92.3	Very high	41 Å²	41	61.9 Å²	61.9	22%	0.219	35%	0.346	C	S	.	.	H	α-helix	trans	-95.2	-18.1	175.3	-64.7	-39.9	0	0	0	112	D223 V224 R234 G235 H236	D223-D226 WeakPolarHBondContact CB-OD2 3.48Å; D223-D226 PolarHBondContact O-N 2.93Å; D223-D226 VanDerWaalsContact O-N 3.13Å; V224-D226 PolarHBondContact O-N 2.86Å; D226-R234 WeakPolarHBondContact OD1-CB 3.39Å; D226-R234 IonicContact OD1-CZ 3.89Å; D226-R234 IonicContact OD1-NE 3.47Å; D226-R234 PolarHBondContact OD1-NE 2.8Å; D226-R234 IonicContact OD1-NH2 3.58Å; D226-R234 PolarHBondContact OD1-NH2 2.98Å; D226-R234 IonicContact OD2-CZ 3.59Å; D226-R234 IonicContact OD2-NE 2.86Å; D226-R234 IonicContact OD2-NH2 3.45Å; D226-R234 PolarHBondContact OD2-NH2 2.96Å; D226-G235 CarbonylContact O-C 3.6Å; D226-G235 WeakPolarHBondContact O-CA 3.2Å; D226-G235 PolarHBondContact OD1-N 3.35Å; D226-H236 PolarHBondContact O-N 3.13Å; D226-H236 PolarHBondContact O-ND1 3.22Å
227	Y	92.8	Very high	90.6	Very high	99 Å²	99	63.6 Å²	63.6	39%	0.388	37%	0.372	S	S	.	.	H	α-helix	trans	-125.3	-53.2	-168.5	-70	-89.3	0	0	0	115	F206 L222 D223 V224 H236	F206-Y227 AromaticContact CE1-CD2 3.75Å; F206-Y227 HydrophobicContact CE1-CD2 3.75Å; F206-Y227 HydrophobicContact CE1-CG 4.03Å; F206-Y227 AromaticContact CZ-CD2 3.82Å; F206-Y227 HydrophobicContact CZ-CD2 3.82Å; F206-Y227 HydrophobicContact CZ-CE2 4.5Å; F206-Y227 AromaticContact CZ-CG 3.82Å; F206-Y227 HydrophobicContact CZ-CG 3.82Å; L222-Y227 HydrophobicContact CB-CD2 4.3Å; L222-Y227 HydrophobicContact CB-CE2 3.97Å; L222-Y227 HydrophobicContact CD1-CE1 4.47Å; L222-Y227 HydrophobicContact CD1-CE2 3.88Å; L222-Y227 HydrophobicContact CD2-CE2 4.4Å; L222-Y227 HydrophobicContact CG-CE2 4.31Å; D223-Y227 WeakPolarHBondContact O-CD2 3.36Å; V224-Y227 PolarHBondContact O-N 3.2Å; Y227-H236 HydrophobicContact CD1-CB 4.22Å; Y227-H236 AromaticContact CD1-CD2 3.92Å; Y227-H236 AromaticContact CD1-CE1 3.8Å; Y227-H236 AromaticContact CD1-CG 3.69Å; Y227-H236 AromaticContact CD1-ND1 3.61Å; Y227-H236 AromaticContact CD1-NE2 3.97Å; Y227-H236 HydrophobicContact CE1-CB 3.79Å; Y227-H236 AromaticContact CE1-CD2 3.88Å; Y227-H236 AromaticContact CE1-CG 3.66Å
228	F	91.8	Very high	88.2	Confident	26 Å²	26	69.9 Å²	69.9	11%	0.114	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-34.5	-174.6	-68.3	-81.6	0	0	0	111.5	M67 F69 W81 L192 Y199 F201 F206 V224	M67-F228 HydrophobicContact CE-CD1 4.31Å; M67-F228 HydrophobicContact CE-CE1 4.33Å; M67-F228 HydrophobicContact SD-CD1 4.06Å; F69-F228 HydrophobicContact CE1-CB 4.37Å; F69-F228 HydrophobicContact CZ-CB 4.09Å; W81-F228 WeakPolarHBondContact CZ2-O 3.37Å; L192-F228 HydrophobicContact CD2-CD1 4.38Å; L192-F228 HydrophobicContact CD2-CE1 3.84Å; L192-F228 HydrophobicContact CD2-CZ 4.44Å; Y199-F228 HydrophobicContact CD1-CE2 4.42Å; Y199-F228 AromaticContact CD1-CZ 3.94Å; Y199-F228 HydrophobicContact CD1-CZ 3.94Å; Y199-F228 HydrophobicContact CD2-CZ 4.26Å; Y199-F228 AromaticContact CE1-CZ 3.94Å; Y199-F228 HydrophobicContact CE1-CZ 3.94Å; Y199-F228 HydrophobicContact CE2-CZ 4.3Å; Y199-F228 HydrophobicContact CG-CZ 4.07Å; F201-F228 HydrophobicContact CE1-CD2 4.02Å; F201-F228 HydrophobicContact CE1-CE2 4.32Å; F201-F228 HydrophobicContact CE1-CG 4.45Å; F201-F228 HydrophobicContact CZ-CD1 4.45Å; F201-F228 AromaticContact CZ-CD2 3.87Å; F201-F228 HydrophobicContact CZ-CD2 3.87Å; F201-F228 HydrophobicContact CZ-CE1 4.44Å; F201-F228 AromaticContact CZ-CE2 3.84Å; F201-F228 HydrophobicContact CZ-CE2 3.84Å; F201-F228 HydrophobicContact CZ-CG 4.18Å; F201-F228 HydrophobicContact CZ-CZ 4.14Å; F206-F228 HydrophobicContact CD1-CD2 4.1Å; F206-F228 AromaticContact CD1-CE2 3.91Å; F206-F228 HydrophobicContact CD1-CE2 3.91Å; F206-F228 AromaticContact CD2-CE2 3.77Å; F206-F228 HydrophobicContact CD2-CE2 3.77Å; F206-F228 AromaticContact CE1-CD2 4Å; F206-F228 HydrophobicContact CE1-CD2 4Å; F206-F228 AromaticContact CE1-CE2 3.82Å; F206-F228 HydrophobicContact CE1-CE2 3.82Å; F206-F228 AromaticContact CE2-CE2 3.65Å; F206-F228 HydrophobicContact CE2-CE2 3.65Å; F206-F228 HydrophobicContact CE2-CZ 4.38Å; F206-F228 HydrophobicContact CG-CD2 4.45Å; F206-F228 AromaticContact CG-CE2 3.88Å; F206-F228 HydrophobicContact CG-CE2 3.88Å; F206-F228 HydrophobicContact CZ-CD2 4.25Å; F206-F228 AromaticContact CZ-CE2 3.68Å; F206-F228 HydrophobicContact CZ-CE2 3.68Å; V224-F228 HydrophobicContact CG1-CB 4.15Å; V224-F228 PolarHBondContact O-N 2.8Å
229	M	89.3	Confident	85.6	Confident	4 Å²	4	76 Å²	76	2%	0.02	41%	0.407	C	S	.	.	S	Bend	trans	-116.5	125.7	-171.7	-175.4	164.2	67.7	0	0	111.4	R49 F56 W81 V224 R225 C231	R49-M229 HydrophobicContact CB-CE 4.2Å; R49-M229 HydrophobicContact CB-SD 3.8Å; R49-M229 VanDerWaalsContact NH1-CG 3.26Å; R49-M229 PolarHBondContact NH1-SD 2.72Å; R49-M229 WeakPolarHBondContact O-CE 3.3Å; F56-M229 HydrophobicContact CE2-SD 4.16Å; F56-M229 HydrophobicContact CZ-SD 3.86Å; W81-M229 HydrophobicContact CD2-CG 4.18Å; W81-M229 HydrophobicContact CE3-CG 4.14Å; W81-M229 HydrophobicContact CE3-SD 4.24Å; W81-M229 HydrophobicContact CH2-CB 3.64Å; W81-M229 HydrophobicContact CH2-CG 3.65Å; W81-M229 HydrophobicContact CH2-SD 3.77Å; W81-M229 HydrophobicContact CZ2-CB 3.49Å; W81-M229 VanDerWaalsContact CZ2-CB 3.49Å; W81-M229 HydrophobicContact CZ2-CG 3.73Å; W81-M229 HydrophobicContact CZ2-SD 4.46Å; W81-M229 HydrophobicContact CZ3-CB 4.38Å; W81-M229 HydrophobicContact CZ3-CG 3.89Å; W81-M229 HydrophobicContact CZ3-SD 3.67Å; V224-M229 HydrophobicContact CG1-CB 4.4Å; V224-M229 PolarHBondContact O-N 3.4Å; V224-M229 VanDerWaalsContact O-N 3.15Å; R225-M229 CarbonylContact C-O 3.6Å; R225-M229 HydrophobicContact CG-CE 3.54Å; M229-C231 PolarHBondContact O-N 2.96Å
230	P	88.4	Confident	83.1	Confident	77 Å²	77	71.8 Å²	71.8	50%	0.5	40%	0.401	S	S	.	.			trans	-73.1	118.2	175.7	30.4	-31.9	0	0	0	108.7	W81	W81-P230 VanDerWaalsContact CE2-CD 3.48Å; W81-P230 HydrophobicContact CG-CG 4.02Å
231	C	90.2	Very high	80.4	Confident	10 Å²	10	72.7 Å²	72.7	7%	0.068	43%	0.428	C	S	.	.			trans	-122.9	138.2	173.4	-76.2	0	0	0	0	109.9	C50 R225 M229 G233 R234	C50-C231 VanDerWaalsContact CA-SG 3.54Å; C50-C231 HydrophobicContact CB-CB 3.83Å; C50-C231 WeakPolarHBondContact CB-SG 3.5Å; C50-C231 WeakPolarHBondContact SG-CA 3.36Å; C50-C231 WeakPolarHBondContact SG-CB 3.35Å; C50-C231 CovalentContact SG-SG 2.04Å; C50-C231 PolarHBondContact SG-SG 2.96Å; R225-C231 HydrophobicContact CB-CB 4.11Å; M229-C231 PolarHBondContact O-N 2.96Å; C231-G233 PolarHBondContact O-N 2.83Å; C231-R234 HydrophobicContact CB-CB 3.97Å; C231-R234 HydrophobicContact CB-CG 4.15Å; C231-R234 WeakPolarHBondContact O-CB 3.39Å; C231-R234 PolarHBondContact O-N 3.23Å; C231-R234 VanDerWaalsContact O-N 3.07Å
232	P	89.9	Confident	77.6	Confident	99 Å²	99	76.7 Å²	76.7	64%	0.643	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	133.4	177.1	-26.9	35.1	0	0	0	112	V46 R234	V46-P232 HydrophobicContact CG1-CG 4.01Å; P232-R234 PolarHBondContact O-N 3.13Å
233	G	88.7	Confident	74.5	Confident	94 Å²	94	77.3 Å²	77.3	97%	0.969	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	7.6	-179.7	0	0	0	0	0	115.2	C231	C231-G233 PolarHBondContact O-N 2.83Å
234	R	90.4	Very high	71.9	Confident	94 Å²	94	86.3 Å²	86.3	36%	0.355	51%	0.509	S	S	.	.			trans	-122.2	163.6	-178.6	-62.2	-157.9	74.1	139.4	-4.5	111.6	D223 D226 C231 P232	D223-R234 IonicContact OD1-NH2 3.75Å; D223-R234 IonicContact OD2-CZ 2.87Å; D223-R234 IonicContact OD2-NH1 2.81Å; D223-R234 PolarHBondContact OD2-NH1 2.83Å; D223-R234 IonicContact OD2-NH2 3.7Å; D223-R234 PolarHBondContact OD2-NH2 3.22Å; D226-R234 WeakPolarHBondContact OD1-CB 3.39Å; D226-R234 IonicContact OD1-CZ 3.89Å; D226-R234 IonicContact OD1-NE 3.47Å; D226-R234 PolarHBondContact OD1-NE 2.8Å; D226-R234 IonicContact OD1-NH2 3.58Å; D226-R234 PolarHBondContact OD1-NH2 2.98Å; D226-R234 IonicContact OD2-CZ 3.59Å; D226-R234 IonicContact OD2-NE 2.86Å; D226-R234 IonicContact OD2-NH2 3.45Å; D226-R234 PolarHBondContact OD2-NH2 2.96Å; C231-R234 HydrophobicContact CB-CB 3.97Å; C231-R234 HydrophobicContact CB-CG 4.15Å; C231-R234 WeakPolarHBondContact O-CB 3.39Å; C231-R234 PolarHBondContact O-N 3.23Å; C231-R234 VanDerWaalsContact O-N 3.07Å; P232-R234 PolarHBondContact O-N 3.13Å
235	G	85.3	Confident	68.9	Low	44 Å²	44	89.4 Å²	89.4	45%	0.454	54%	0.541	S	S	.	.			trans	144.7	173.4	177.9	0	0	0	0	0	114.1	D226	D226-G235 CarbonylContact O-C 3.6Å; D226-G235 WeakPolarHBondContact O-CA 3.2Å; D226-G235 PolarHBondContact OD1-N 3.35Å
236	H	79.6	Confident	66.2	Low	85 Å²	85	97.1 Å²	97.1	39%	0.394	58%	0.584	S	S	.	*	S	Bend	trans	-120.3	152.9	174.6	65	-73.7	0	0	0	110.2	D226 Y227	D226-H236 PolarHBondContact O-N 3.13Å; D226-H236 PolarHBondContact O-ND1 3.22Å; Y227-H236 HydrophobicContact CD1-CB 4.22Å; Y227-H236 AromaticContact CD1-CD2 3.92Å; Y227-H236 AromaticContact CD1-CE1 3.8Å; Y227-H236 AromaticContact CD1-CG 3.69Å; Y227-H236 AromaticContact CD1-ND1 3.61Å; Y227-H236 AromaticContact CD1-NE2 3.97Å; Y227-H236 HydrophobicContact CE1-CB 3.79Å; Y227-H236 AromaticContact CE1-CD2 3.88Å; Y227-H236 AromaticContact CE1-CG 3.66Å
237	G	61.9	Low	63.4	Low	77 Å²	77	98.1 Å²	98.1	79%	0.794	60%	0.603	S	S	*	*	S	Bend	trans	97.9	-12	178.5	0	0	0	0	0	115.9
238	H	46.1	Very low	60.6	Low	166 Å²	166	99.5 Å²	99.5	77%	0.769	62%	0.622	S	S	*	*			trans	-94.5	93.6	170.2	-68.7	-66.1	0	0	0	111.2	N240	H238-N240 PolarHBondContact O-N 3.01Å
239	R	40.1	Very low	57.9	Low	242 Å²	242	107.1 Å²	107.1	91%	0.913	66%	0.658	S	S	*	*			trans	-83.8	104.4	158.4	-111.1	179.4	175.2	174.5	-2.5	108.3
240	N	39	Very low	55.8	Low	138 Å²	138	112.9 Å²	112.9	74%	0.738	69%	0.685	S	S	*	*			trans	68.2	90.5	163.5	-61.9	-0.4	0	0	0	118.6	H238 T242	H238-N240 PolarHBondContact O-N 3.01Å; N240-T242 VanDerWaalsContact C-N 3.31Å; N240-T242 PolarHBondContact O-N 2.9Å
241	G	41.9	Very low	54.4	Low	75 Å²	75	111.7 Å²	111.7	77%	0.773	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	94.8	142.4	0	0	0	0	0	109.4
242	T	37.6	Very low	52.9	Low	147 Å²	147	113.3 Å²	113.3	90%	0.902	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	160.5	42	150.2	43.3	0	0	0	0	110.9	N240	N240-T242 VanDerWaalsContact C-N 3.31Å; N240-T242 PolarHBondContact O-N 2.9Å
243	G	33.1	Very low	51.5	Low	58 Å²	58	112.4 Å²	112.4	60%	0.598	68%	0.675	S	S	*	*			trans	-146.3	110.8	171.6	0	0	0	0	0	110.5	G245	G243-G245 PolarHBondContact O-N 2.81Å
244	H	41.4	Very low	50.4	Low	218 Å²	218	116.2 Å²	116.2	100%	1.009	66%	0.662	S	S	*	*			trans	-58.9	82.7	154.8	-76.4	-72.6	0	0	0	108.3
245	G	33.3	Very low	49.8	Very low	65 Å²	65	115.5 Å²	115.5	67%	0.67	66%	0.663	S	S	*	*			trans	-113.9	110.4	177.4	0	0	0	0	0	109	G243 G247	G243-G245 PolarHBondContact O-N 2.81Å; G245-G247 PolarHBondContact O-N 3Å
246	N	36.5	Very low	49.9	Very low	181 Å²	181	116.1 Å²	116.1	97%	0.968	65%	0.652	S	S	*	*			trans	-71	66.5	176.5	-135.6	7	0	0	0	110.3
247	G	33.7	Very low	50.4	Low	61 Å²	61	115 Å²	115	63%	0.629	65%	0.653	S	S	*	*			trans	-116.1	109.5	-173.8	0	0	0	0	0	112.4	G245 H249	G245-G247 PolarHBondContact O-N 3Å; G247-H249 PolarHBondContact O-N 2.88Å
248	T	35	Very low	51.7	Low	129 Å²	129	112.8 Å²	112.8	79%	0.791	63%	0.625	S	S	*	*			trans	-71.1	35.1	177.1	43.4	0	0	0	0	114.4	H250	T248-H250 PolarHBondContact O-N 3.03Å
249	H	35.7	Very low	53.4	Low	185 Å²	185	109.4 Å²	109.4	86%	0.856	62%	0.618	S	S	*	*			trans	-98	79.5	175.1	-93.7	-68.5	0	0	0	110.7	G247	G247-H249 PolarHBondContact O-N 2.88Å
250	H	45.2	Very low	55.6	Low	126 Å²	126	105.5 Å²	105.5	58%	0.583	61%	0.61	S	S	*	*			trans	-69.9	130.6	166	-61.4	-64.2	0	0	0	109.3	T248 M255	T248-H250 PolarHBondContact O-N 3.03Å; H250-M255 HydrophobicContact CB-CE 4.04Å; H250-M255 HydrophobicContact CB-CG 4.45Å
251	S	57	Low	58	Low	52 Å²	52	99.4 Å²	99.4	36%	0.364	58%	0.578	S	S	.	*			trans	-57.8	140.9	172.8	149.3	0	0	0	0	109.6	E253 Y254 M255	S251-E253 PolarHBondContact O-N 2.93Å; S251-E253 PolarHBondContact OG-N 3.21Å; S251-Y254 WeakPolarHBondContact O-CB 3.21Å; S251-Y254 PolarHBondContact O-N 3.3Å; S251-M255 PolarHBondContact O-N 3.15Å
252	P	59.7	Low	60.4	Low	44 Å²	44	99.6 Å²	99.6	29%	0.286	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-52.4	-28.3	179.8	-27.6	34.9	0	0	0	113.9	M255 W283	P252-M255 PolarHBondContact O-N 3.49Å; P252-W283 WeakPolarHBondContact O-CZ2 3.02Å
253	E	61.1	Low	63.2	Low	79 Å²	79	92.7 Å²	92.7	37%	0.369	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-39.1	175.3	-168.7	175.6	-167.9	0	0	112.9	S251 M255 R256 H293	S251-E253 PolarHBondContact O-N 2.93Å; S251-E253 PolarHBondContact OG-N 3.21Å; E253-M255 PolarHBondContact O-N 3.3Å; E253-R256 WeakPolarHBondContact O-CB 3.37Å; E253-R256 PolarHBondContact O-N 2.98Å; E253-H293 IonicContact OE1-CD2 3.85Å; E253-H293 IonicContact OE2-NE2 3.48Å
254	Y	64.8	Low	66.3	Low	174 Å²	174	91.2 Å²	91.2	68%	0.682	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-21.9	175.4	-73.6	-88	0	0	0	112.4	S251 R256	S251-Y254 WeakPolarHBondContact O-CB 3.21Å; S251-Y254 PolarHBondContact O-N 3.3Å; Y254-R256 VanDerWaalsContact C-N 3.32Å
255	M	77.7	Confident	69	Low	79 Å²	79	80.9 Å²	80.9	39%	0.389	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-12.2	176.5	-67.5	-164.4	179.1	0	0	113.7	H250 S251 P252 E253 C257 S258 L261	H250-M255 HydrophobicContact CB-CE 4.04Å; H250-M255 HydrophobicContact CB-CG 4.45Å; S251-M255 PolarHBondContact O-N 3.15Å; P252-M255 PolarHBondContact O-N 3.49Å; E253-M255 PolarHBondContact O-N 3.3Å; M255-C257 VanDerWaalsContact C-N 3.29Å; M255-C257 PolarHBondContact O-N 2.96Å; M255-C257 VanDerWaalsContact O-N 3.15Å; M255-S258 VanDerWaalsContact O-CB 3.24Å; M255-S258 WeakPolarHBondContact O-CB 3.42Å; M255-S258 PolarHBondContact O-N 2.69Å; M255-L261 HydrophobicContact CB-CD1 4.49Å
256	R	88.6	Confident	72.1	Confident	57 Å²	57	77.8 Å²	77.8	22%	0.215	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-43.1	-174.4	-177.8	-178.7	60.7	90.9	2.4	113.8	E253 Y254 W283 L458	E253-R256 WeakPolarHBondContact O-CB 3.37Å; E253-R256 PolarHBondContact O-N 2.98Å; Y254-R256 VanDerWaalsContact C-N 3.32Å; R256-W283 HydrophobicContact CB-CZ2 4.21Å; R256-L458 HydrophobicContact CG-CB 3.9Å; R256-L458 HydrophobicContact CG-CD1 4.25Å; R256-L458 PolarHBondContact NH1-O 3.15Å; R256-L458 WeakPolarHBondContact O-CD1 3Å
257	C	90.3	Very high	74.9	Confident	61 Å²	61	69.2 Å²	69.2	41%	0.412	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	13.4	179.4	-59.4	0	0	0	0	113.3	M255 C460	M255-C257 VanDerWaalsContact C-N 3.29Å; M255-C257 PolarHBondContact O-N 2.96Å; M255-C257 VanDerWaalsContact O-N 3.15Å; C257-C460 WeakPolarHBondContact CA-SG 3.45Å; C257-C460 HydrophobicContact CB-CB 3.81Å; C257-C460 WeakPolarHBondContact CB-SG 3.45Å; C257-C460 WeakPolarHBondContact SG-CB 3.36Å; C257-C460 CovalentContact SG-SG 2.04Å; C257-C460 PolarHBondContact SG-SG 3.28Å
258	S	87.7	Confident	77.9	Confident	31 Å²	31	67 Å²	67	22%	0.217	35%	0.351	C	S	.	.			trans	-68.3	135.7	175.6	179.3	0	0	0	0	110.1	M255 H260 L261	M255-S258 VanDerWaalsContact O-CB 3.24Å; M255-S258 WeakPolarHBondContact O-CB 3.42Å; M255-S258 PolarHBondContact O-N 2.69Å; S258-H260 PolarHBondContact O-N 2.67Å; S258-H260 VanDerWaalsContact O-N 3.17Å; S258-H260 PolarHBondContact OG-N 2.93Å; S258-L261 WeakPolarHBondContact O-CB 3.23Å; S258-L261 PolarHBondContact O-N 3.3Å
259	P	83.3	Confident	80.8	Confident	95 Å²	95	61.5 Å²	61.5	62%	0.617	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.3	171.7	29.6	-35.4	0	0	0	112.6
260	H	85.1	Confident	83.6	Confident	161 Å²	161	55.8 Å²	55.8	75%	0.745	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	6.8	178.4	-55.7	-61.7	0	0	0	113.3	S258 V262	S258-H260 PolarHBondContact O-N 2.67Å; S258-H260 VanDerWaalsContact O-N 3.17Å; S258-H260 PolarHBondContact OG-N 2.93Å; H260-V262 PolarHBondContact O-N 2.84Å
261	L	89.9	Confident	86	Confident	10 Å²	10	52.7 Å²	52.7	5%	0.052	28%	0.278	C	S	.	.			trans	-64.1	128	174.4	179.4	66.2	0	0	0	110	M255 S258 L263 W283 L458	M255-L261 HydrophobicContact CB-CD1 4.49Å; S258-L261 WeakPolarHBondContact O-CB 3.23Å; S258-L261 PolarHBondContact O-N 3.3Å; L261-L263 HydrophobicContact CD2-CD2 4.13Å; L261-L263 HydrophobicContact CG-CD2 4.29Å; L261-W283 HydrophobicContact CD1-CH2 3.9Å; L261-W283 HydrophobicContact CD1-CZ3 4.21Å; L261-L458 HydrophobicContact CD2-CD1 3.2Å
262	V	92.2	Very high	87.7	Confident	79 Å²	79	52 Å²	52	48%	0.479	28%	0.279	S	S	.	.			trans	-115	117.3	172.7	-176.8	0	0	0	0	107.9	H260 S278	H260-V262 PolarHBondContact O-N 2.84Å; V262-S278 WeakPolarHBondContact O-CB 3.38Å; V262-S278 PolarHBondContact O-OG 3.04Å
263	L	96.7	Very high	89.5	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	27%	0.268	C	S	.	.			trans	-85.7	147.5	169.8	-62.6	-176.2	0	0	0	108.8	L261 L266 A276 F277 W283 D404 I428 V454	L261-L263 HydrophobicContact CD2-CD2 4.13Å; L261-L263 HydrophobicContact CG-CD2 4.29Å; L263-L266 HydrophobicContact CD1-CD2 4.3Å; L263-A276 HydrophobicContact CD1-CB 3.92Å; L263-A276 HydrophobicContact CD2-CB 4.19Å; L263-F277 CarbonylContact C-O 3.13Å; L263-F277 VanDerWaalsContact CA-O 3.26Å; L263-F277 WeakPolarHBondContact CA-O 3.27Å; L263-W283 HydrophobicContact CD2-CE3 4.35Å; L263-W283 HydrophobicContact CD2-CZ3 4.13Å; L263-D404 WeakPolarHBondContact O-CB 3.47Å; L263-I428 HydrophobicContact CB-CD1 3.51Å; L263-I428 HydrophobicContact CD1-CD1 4.26Å; L263-V454 HydrophobicContact CD1-CG1 3.37Å; L263-V454 HydrophobicContact CG-CG1 3.85Å
264	S	97.6	Very high	91.2	Very high	27 Å²	27	47.1 Å²	47.1	19%	0.189	26%	0.255	C	S	.	.			trans	-119.4	-11.4	-175.6	64	0	0	0	0	114.3	F277 V308 D309 D404	S264-F277 PolarHBondContact N-O 2.87Å; S264-V308 CarbonylContact C-O 3.46Å; S264-V308 VanDerWaalsContact CB-O 3.26Å; S264-V308 WeakPolarHBondContact CB-O 3.39Å; S264-V308 PolarHBondContact OG-O 3.45Å; S264-D309 CarbonylContact O-C 3.52Å; S264-D404 CarbonylContact C-O 3.37Å; S264-D404 VanDerWaalsContact CA-O 3.27Å; S264-D404 WeakPolarHBondContact CA-O 2.94Å
265	A	98.3	Very high	92.8	Very high	1 Å²	1	39 Å²	39	1%	0.008	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	155.1	171.4	0	0	0	0	0	110.7	F277 V308 A311	A265-F277 HydrophobicContact CB-CB 4.12Å; A265-F277 HydrophobicContact CB-CD2 3.84Å; A265-F277 HydrophobicContact CB-CG 4.28Å; A265-F277 PolarHBondContact O-N 3.03Å; A265-V308 HydrophobicContact CB-CB 4.31Å; A265-V308 HydrophobicContact CB-CG1 3.63Å; A265-A311 HydrophobicContact CB-CB 4.27Å
266	L	98	Very high	93.7	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.1	168.2	-62.1	176.3	0	0	0	108.3	L263 Y275 A276 L407 L413 I428	L263-L266 HydrophobicContact CD1-CD2 4.3Å; L266-Y275 WeakPolarHBondContact CA-O 3.39Å; L266-A276 HydrophobicContact CD2-CB 3.71Å; L266-L407 HydrophobicContact CB-CB 3.78Å; L266-L407 HydrophobicContact CB-CD2 4.38Å; L266-L407 HydrophobicContact CD1-CB 4.09Å; L266-L413 HydrophobicContact CD1-CD2 4.19Å; L266-I428 HydrophobicContact CD1-CD1 4.2Å; L266-I428 HydrophobicContact CD1-CG1 4.14Å; L266-I428 HydrophobicContact CD1-CG2 3.92Å; L266-I428 HydrophobicContact CD2-CD1 4.36Å; L266-I428 HydrophobicContact CG-CD1 3.94Å; L266-I428 HydrophobicContact CG-CG1 4.36Å
267	M	96.1	Very high	94.2	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	145.8	176.8	167.7	-90.9	-58.4	0	0	111	T274 Y275 F277 W301 A311 L318 L320	M267-T274 CarbonylContact O-C 3.55Å; M267-T274 WeakPolarHBondContact O-CA 3.36Å; M267-Y275 HydrophobicContact CE-CD2 3.53Å; M267-Y275 HydrophobicContact CE-CE2 4.21Å; M267-Y275 HydrophobicContact CE-CG 4.2Å; M267-Y275 PolarHBondContact N-O 2.98Å; M267-Y275 PolarHBondContact O-N 3.12Å; M267-Y275 HydrophobicContact SD-CD2 3.75Å; M267-Y275 HydrophobicContact SD-CE2 4.24Å; M267-F277 HydrophobicContact CB-CE2 4.39Å; M267-F277 HydrophobicContact CE-CE2 3.74Å; M267-F277 HydrophobicContact CE-CZ 3.68Å; M267-W301 HydrophobicContact CE-CH2 4.17Å; M267-W301 HydrophobicContact CE-CZ2 3.61Å; M267-A311 HydrophobicContact CB-CB 3.61Å; M267-A311 HydrophobicContact CG-CB 4.11Å; M267-L318 HydrophobicContact CE-CD1 3.59Å; M267-L318 HydrophobicContact CE-CD2 4.1Å; M267-L318 HydrophobicContact CE-CG 4.03Å; M267-L318 HydrophobicContact CG-CG 4.33Å; M267-L318 HydrophobicContact SD-CD1 3.43Å; M267-L318 WeakPolarHBondContact SD-CD1 3.48Å; M267-L318 HydrophobicContact SD-CD2 4.47Å; M267-L318 HydrophobicContact SD-CG 3.79Å; M267-L320 HydrophobicContact CE-CD2 4.21Å
268	S	97	Very high	94.5	Very high	15 Å²	15	31 Å²	31	11%	0.105	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132.4	170.4	-163.4	0	0	0	0	108.7	A273 T274 S313	S268-A273 CarbonylContact C-O 3.54Å; S268-A273 VanDerWaalsContact CA-O 3.29Å; S268-A273 WeakPolarHBondContact CA-O 3.44Å; S268-T274 PolarHBondContact OG-OG1 2.84Å; S268-S313 VanDerWaalsContact O-CB 3.32Å; S268-S313 WeakPolarHBondContact O-CB 3.38Å; S268-S313 PolarHBondContact O-OG 2.86Å
269	D	95.8	Very high	94.8	Very high	12 Å²	12	31.3 Å²	31.3	6%	0.064	19%	0.192	C	C	.	.			trans	-83.9	176.4	177.7	83.1	-5.9	0	0	0	112.1	H271 G272 A273 Y335	D269-H271 PolarHBondContact O-N 3.47Å; D269-H271 VanDerWaalsContact OD1-C 3.3Å; D269-H271 WeakPolarHBondContact OD1-CA 3.43Å; D269-H271 PolarHBondContact OD1-N 3.07Å; D269-H271 IonicContact OD2-CD2 3.93Å; D269-G272 PolarHBondContact O-N 3.08Å; D269-G272 VanDerWaalsContact O-N 3.15Å; D269-G272 PolarHBondContact OD1-N 2.87Å; D269-A273 PolarHBondContact N-O 3.1Å; D269-A273 WeakPolarHBondContact OD1-CB 3.37Å; D269-A273 PolarHBondContact OD1-N 3.02Å; D269-Y335 PolarHBondContact OD2-OH 2.78Å
270	N	93.9	Very high	95.4	Very high	65 Å²	65	30.4 Å²	30.4	35%	0.348	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-4.3	179.2	63.9	-45	0	0	0	114.3	T331	N270-T331 PolarHBondContact ND2-OG1 3.06Å; N270-T331 WeakPolarHBondContact OD1-CB 3.04Å; N270-T331 PolarHBondContact OD1-OG1 3Å
271	H	94.5	Very high	96	Very high	61 Å²	61	24.5 Å²	24.5	28%	0.282	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	1	173.1	-52	-74.1	0	0	0	112.1	G152 D269 T331	G152-H271 WeakPolarHBondContact CA-CD2 3.5Å; G152-H271 WeakPolarHBondContact CA-NE2 3.23Å; D269-H271 PolarHBondContact O-N 3.47Å; D269-H271 VanDerWaalsContact OD1-C 3.3Å; D269-H271 WeakPolarHBondContact OD1-CA 3.43Å; D269-H271 PolarHBondContact OD1-N 3.07Å; D269-H271 IonicContact OD2-CD2 3.93Å; H271-T331 PolarHBondContact NE2-O 2.91Å; H271-T331 PolarHBondContact NE2-OG1 3.39Å
272	G	93.6	Very high	96.4	Very high	37 Å²	37	24.1 Å²	24.1	38%	0.381	16%	0.156	S	C	.	.			trans	87.9	4.3	178.8	0	0	0	0	0	114.8	D269 T274	D269-G272 PolarHBondContact O-N 3.08Å; D269-G272 VanDerWaalsContact O-N 3.15Å; D269-G272 PolarHBondContact OD1-N 2.87Å; G272-T274 PolarHBondContact O-N 2.93Å; G272-T274 PolarHBondContact O-OG1 3.19Å; G272-T274 VanDerWaalsContact O-OG1 3.07Å
273	A	96.4	Very high	96.6	Very high	6 Å²	6	20.6 Å²	20.6	5%	0.05	13%	0.134	C	C	.	.			trans	-69	120.6	174.8	0	0	0	0	0	109.3	S268 D269 Y275	S268-A273 CarbonylContact C-O 3.54Å; S268-A273 VanDerWaalsContact CA-O 3.29Å; S268-A273 WeakPolarHBondContact CA-O 3.44Å; D269-A273 PolarHBondContact N-O 3.1Å; D269-A273 WeakPolarHBondContact OD1-CB 3.37Å; D269-A273 PolarHBondContact OD1-N 3.02Å; A273-Y275 HydrophobicContact CB-CE2 3.7Å; A273-Y275 WeakPolarHBondContact CB-OH 3.21Å; A273-Y275 WeakPolarHBondContact O-CE2 3.07Å
274	T	97.4	Very high	96.6	Very high	16 Å²	16	21.6 Å²	21.6	10%	0.098	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.8	-168.8	-54.3	0	0	0	0	110.4	M267 S268 G272 R284 L285 D286 L407 L413	M267-T274 CarbonylContact O-C 3.55Å; M267-T274 WeakPolarHBondContact O-CA 3.36Å; S268-T274 PolarHBondContact OG-OG1 2.84Å; G272-T274 PolarHBondContact O-N 2.93Å; G272-T274 PolarHBondContact O-OG1 3.19Å; G272-T274 VanDerWaalsContact O-OG1 3.07Å; T274-R284 CarbonylContact O-C 3.59Å; T274-R284 WeakPolarHBondContact O-CA 3.4Å; T274-L285 HydrophobicContact CG2-CB 4.37Å; T274-L285 HydrophobicContact CG2-CD1 4.27Å; T274-L285 PolarHBondContact O-N 2.9Å; T274-D286 PolarHBondContact N-OD1 3.35Å; T274-L407 HydrophobicContact CG2-CD2 3.92Å; T274-L413 HydrophobicContact CG2-CD1 3.81Å
275	Y	97.8	Very high	96.5	Very high	3 Å²	3	21 Å²	21	1%	0.012	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.9	-170	-51.7	-86.6	0	0	0	112.1	L266 M267 A273 Y282 W283 R284 W301 Y335	L266-Y275 WeakPolarHBondContact CA-O 3.39Å; M267-Y275 HydrophobicContact CE-CD2 3.53Å; M267-Y275 HydrophobicContact CE-CE2 4.21Å; M267-Y275 HydrophobicContact CE-CG 4.2Å; M267-Y275 PolarHBondContact N-O 2.98Å; M267-Y275 PolarHBondContact O-N 3.12Å; M267-Y275 HydrophobicContact SD-CD2 3.75Å; M267-Y275 HydrophobicContact SD-CE2 4.24Å; A273-Y275 HydrophobicContact CB-CE2 3.7Å; A273-Y275 WeakPolarHBondContact CB-OH 3.21Å; A273-Y275 WeakPolarHBondContact O-CE2 3.07Å; Y275-Y282 AromaticContact CD1-CD2 3.63Å; Y275-Y282 HydrophobicContact CD1-CD2 3.63Å; Y275-Y282 AromaticContact CD1-CE2 3.77Å; Y275-Y282 HydrophobicContact CD1-CE2 3.77Å; Y275-Y282 HydrophobicContact CE1-CD2 4.27Å; Y275-Y282 AromaticContact CE1-CE2 3.93Å; Y275-Y282 HydrophobicContact CE1-CE2 3.93Å; Y275-W283 CarbonylContact C-O 3.43Å; Y275-W283 VanDerWaalsContact CA-O 3.26Å; Y275-W283 WeakPolarHBondContact CA-O 3.48Å; Y275-R284 HydrophobicContact CD1-CB 4.07Å; Y275-R284 HydrophobicContact CD1-CG 4.13Å; Y275-R284 HydrophobicContact CE1-CB 4.13Å; Y275-R284 HydrophobicContact CE1-CG 3.9Å; Y275-W301 AromaticContact CD1-CH2 3.72Å; Y275-W301 HydrophobicContact CD1-CH2 3.72Å; Y275-W301 HydrophobicContact CD1-CZ2 4.39Å; Y275-W301 HydrophobicContact CD2-CH2 4.05Å; Y275-W301 HydrophobicContact CD2-CZ2 4.03Å; Y275-W301 AromaticContact CE1-CH2 3.9Å; Y275-W301 HydrophobicContact CE1-CH2 3.9Å; Y275-W301 HydrophobicContact CE1-CZ2 4.3Å; Y275-W301 HydrophobicContact CE2-CH2 4.23Å; Y275-W301 AromaticContact CE2-CZ2 3.95Å; Y275-W301 HydrophobicContact CE2-CZ2 3.95Å; Y275-W301 AromaticContact CG-CH2 3.77Å; Y275-W301 HydrophobicContact CG-CH2 3.77Å; Y275-W301 HydrophobicContact CG-CZ2 4.23Å; Y275-Y335 VanDerWaalsContact CE2-OH 3.23Å; Y275-Y335 WeakPolarHBondContact CE2-OH 3.3Å; Y275-Y335 PolarHBondContact OH-OH 3.19Å
276	A	97.7	Very high	96.3	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.3	167	0	0	0	0	0	109.8	L263 L266 Y282 W283 L285	L263-A276 HydrophobicContact CD1-CB 3.92Å; L263-A276 HydrophobicContact CD2-CB 4.19Å; L266-A276 HydrophobicContact CD2-CB 3.71Å; A276-Y282 CarbonylContact O-C 3.4Å; A276-Y282 WeakPolarHBondContact O-CA 3.48Å; A276-Y282 WeakPolarHBondContact O-CB 3.32Å; A276-W283 PolarHBondContact N-O 2.92Å; A276-W283 PolarHBondContact O-N 3.28Å; A276-L285 HydrophobicContact CB-CD1 4.09Å; A276-L285 HydrophobicContact CB-CD2 4.06Å; A276-L285 HydrophobicContact CB-CG 4.31Å
277	F	98.2	Very high	96.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	144.4	-178.1	-63.8	-95.2	0	0	0	111.1	L263 S264 A265 M267 I297 W301 V308 L320	L263-F277 CarbonylContact C-O 3.13Å; L263-F277 VanDerWaalsContact CA-O 3.26Å; L263-F277 WeakPolarHBondContact CA-O 3.27Å; S264-F277 PolarHBondContact N-O 2.87Å; A265-F277 HydrophobicContact CB-CB 4.12Å; A265-F277 HydrophobicContact CB-CD2 3.84Å; A265-F277 HydrophobicContact CB-CG 4.28Å; A265-F277 PolarHBondContact O-N 3.03Å; M267-F277 HydrophobicContact CB-CE2 4.39Å; M267-F277 HydrophobicContact CE-CE2 3.74Å; M267-F277 HydrophobicContact CE-CZ 3.68Å; F277-I297 HydrophobicContact CD1-CD1 4.11Å; F277-I297 HydrophobicContact CD1-CG1 3.96Å; F277-I297 HydrophobicContact CE1-CG1 4.17Å; F277-W301 HydrophobicContact CE1-CE3 4.05Å; F277-W301 AromaticContact CE1-CH2 3.94Å; F277-W301 HydrophobicContact CE1-CH2 3.94Å; F277-W301 AromaticContact CE1-CZ3 3.54Å; F277-W301 HydrophobicContact CE1-CZ3 3.54Å; F277-W301 HydrophobicContact CZ-CE3 4.35Å; F277-W301 AromaticContact CZ-CH2 3.6Å; F277-W301 HydrophobicContact CZ-CH2 3.6Å; F277-W301 HydrophobicContact CZ-CZ2 4.13Å; F277-W301 AromaticContact CZ-CZ3 3.71Å; F277-W301 HydrophobicContact CZ-CZ3 3.71Å; F277-V308 HydrophobicContact CB-CB 4.19Å; F277-V308 HydrophobicContact CD1-CB 3.89Å; F277-V308 HydrophobicContact CD1-CG2 3.62Å; F277-V308 HydrophobicContact CD2-CB 4.49Å; F277-V308 HydrophobicContact CD2-CG1 4.38Å; F277-V308 HydrophobicContact CE1-CB 4.4Å; F277-V308 HydrophobicContact CE1-CG2 3.78Å; F277-V308 HydrophobicContact CG-CB 3.94Å; F277-V308 HydrophobicContact CG-CG1 4.31Å; F277-V308 HydrophobicContact CG-CG2 4.19Å; F277-V308 HydrophobicContact CZ-CG2 4.46Å; F277-L320 HydrophobicContact CE2-CD2 4.48Å; F277-L320 HydrophobicContact CZ-CD2 4.03Å
278	S	96.8	Very high	96	Very high	27 Å²	27	26 Å²	26	19%	0.189	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	121	169.7	-174.8	0	0	0	0	109.4	V262 T280 H281	V262-S278 WeakPolarHBondContact O-CB 3.38Å; V262-S278 PolarHBondContact O-OG 3.04Å; S278-T280 PolarHBondContact O-N 3.07Å; S278-H281 PolarHBondContact N-O 2.86Å; S278-H281 PolarHBondContact O-N 3.24Å; S278-H281 VanDerWaalsContact O-O 3.09Å
279	G	95.1	Very high	95.8	Very high	38 Å²	38	30.4 Å²	30.4	39%	0.392	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	-122.5	-175.5	0	0	0	0	0	111.1
280	T	96.4	Very high	95.7	Very high	76 Å²	76	30.1 Å²	30.1	47%	0.466	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	5.7	-177.9	59.1	0	0	0	0	113.9	S278 P296 I297 S306 T307	S278-T280 PolarHBondContact O-N 3.07Å; T280-P296 WeakPolarHBondContact O-CA 3.21Å; T280-I297 PolarHBondContact O-N 3.28Å; T280-S306 WeakPolarHBondContact CA-O 3.42Å; T280-T307 HydrophobicContact CG2-CG2 4.42Å
281	H	97	Very high	95.6	Very high	37 Å²	37	28.3 Å²	28.3	17%	0.171	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	166.1	-172.7	-71.4	64.5	0	0	0	111.8	S278 W295	S278-H281 PolarHBondContact N-O 2.86Å; S278-H281 PolarHBondContact O-N 3.24Å; S278-H281 VanDerWaalsContact O-O 3.09Å; H281-W295 CarbonylContact C-O 3.6Å; H281-W295 WeakPolarHBondContact CA-O 3.44Å
282	Y	97.5	Very high	95.6	Very high	3 Å²	3	27.9 Å²	27.9	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	157.4	172.6	73.6	-87.9	0	0	0	111.4	Y275 A276 S294 W295 P296 I297 Q300 W301	Y275-Y282 AromaticContact CD1-CD2 3.63Å; Y275-Y282 HydrophobicContact CD1-CD2 3.63Å; Y275-Y282 AromaticContact CD1-CE2 3.77Å; Y275-Y282 HydrophobicContact CD1-CE2 3.77Å; Y275-Y282 HydrophobicContact CE1-CD2 4.27Å; Y275-Y282 AromaticContact CE1-CE2 3.93Å; Y275-Y282 HydrophobicContact CE1-CE2 3.93Å; A276-Y282 CarbonylContact O-C 3.4Å; A276-Y282 WeakPolarHBondContact O-CA 3.48Å; A276-Y282 WeakPolarHBondContact O-CB 3.32Å; Y282-S294 CarbonylContact O-C 3.58Å; Y282-S294 VanDerWaalsContact O-CA 3.25Å; Y282-S294 WeakPolarHBondContact O-CA 3.29Å; Y282-W295 HydrophobicContact CD1-CB 4.28Å; Y282-W295 WeakPolarHBondContact CD1-O 3.42Å; Y282-W295 HydrophobicContact CE1-CB 3.61Å; Y282-W295 HydrophobicContact CE2-CB 4.46Å; Y282-W295 PolarHBondContact N-O 3.08Å; Y282-W295 PolarHBondContact O-N 3.4Å; Y282-P296 WeakPolarHBondContact CE1-O 3.21Å; Y282-I297 HydrophobicContact CD1-CG1 4.48Å; Y282-Q300 HydrophobicContact CE1-CB 3.81Å; Y282-Q300 WeakPolarHBondContact OH-CB 3.47Å; Y282-W301 HydrophobicContact CD1-CE3 4.4Å; Y282-W301 HydrophobicContact CD1-CH2 4.48Å; Y282-W301 AromaticContact CD1-CZ3 3.6Å; Y282-W301 HydrophobicContact CD1-CZ3 3.6Å; Y282-W301 HydrophobicContact CD2-CH2 4.3Å; Y282-W301 HydrophobicContact CD2-CZ3 4.18Å; Y282-W301 HydrophobicContact CE1-CE3 4.44Å; Y282-W301 AromaticContact CE1-CZ3 3.78Å; Y282-W301 HydrophobicContact CE1-CZ3 3.78Å; Y282-W301 HydrophobicContact CE2-CH2 4.45Å; Y282-W301 HydrophobicContact CE2-CZ3 4.36Å; Y282-W301 HydrophobicContact CG-CH2 4.32Å; Y282-W301 AromaticContact CG-CZ3 3.8Å; Y282-W301 HydrophobicContact CG-CZ3 3.8Å
283	W	97.3	Very high	95.6	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.015	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	144	164.3	-70.3	-91.9	0	0	0	110	P252 R256 L261 L263 Y275 A276 L285 L458	P252-W283 WeakPolarHBondContact O-CZ2 3.02Å; R256-W283 HydrophobicContact CB-CZ2 4.21Å; L261-W283 HydrophobicContact CD1-CH2 3.9Å; L261-W283 HydrophobicContact CD1-CZ3 4.21Å; L263-W283 HydrophobicContact CD2-CE3 4.35Å; L263-W283 HydrophobicContact CD2-CZ3 4.13Å; Y275-W283 CarbonylContact C-O 3.43Å; Y275-W283 VanDerWaalsContact CA-O 3.26Å; Y275-W283 WeakPolarHBondContact CA-O 3.48Å; A276-W283 PolarHBondContact N-O 2.92Å; A276-W283 PolarHBondContact O-N 3.28Å; W283-L285 HydrophobicContact CB-CD2 4.18Å; W283-L458 HydrophobicContact CB-CD2 3.98Å; W283-L458 HydrophobicContact CD2-CD2 4.21Å; W283-L458 HydrophobicContact CG-CD2 3.96Å
284	R	96.9	Very high	95.5	Very high	23 Å²	23	27.6 Å²	27.6	9%	0.087	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	117.1	171.1	-173.4	175.7	179.2	171.4	-5.2	109.8	E153 T274 Y275 D286 T287	E153-R284 IonicContact OE1-CZ 3.4Å; E153-R284 IonicContact OE1-NH1 3.73Å; E153-R284 PolarHBondContact OE1-NH1 3.35Å; E153-R284 IonicContact OE1-NH2 2.74Å; E153-R284 PolarHBondContact OE1-NH2 3.02Å; T274-R284 CarbonylContact O-C 3.59Å; T274-R284 WeakPolarHBondContact O-CA 3.4Å; Y275-R284 HydrophobicContact CD1-CB 4.07Å; Y275-R284 HydrophobicContact CD1-CG 4.13Å; Y275-R284 HydrophobicContact CE1-CB 4.13Å; Y275-R284 HydrophobicContact CE1-CG 3.9Å; R284-D286 WeakPolarHBondContact CG-OD1 3.43Å; R284-D286 IonicContact CZ-OD1 2.9Å; R284-D286 IonicContact CZ-OD2 3.67Å; R284-D286 IonicContact NE-OD1 2.66Å; R284-D286 PolarHBondContact NE-OD1 3.2Å; R284-D286 IonicContact NE-OD2 3.78Å; R284-D286 PolarHBondContact NE-OD2 3.39Å; R284-D286 IonicContact NH2-OD2 3.83Å; R284-D286 PolarHBondContact NH2-OD2 3.45Å; R284-T287 HydrophobicContact CG-CG2 4.27Å; R284-T287 WeakPolarHBondContact CG-OG1 3.43Å; R284-T287 PolarHBondContact O-OG1 3.17Å
285	L	95.4	Very high	95.4	Very high	13 Å²	13	28.2 Å²	28.2	7%	0.068	16%	0.157	C	C	.	.	S	Bend	trans	-89.3	-34.7	-168.7	-51.2	-173.4	0	0	0	112.6	T274 A276 W283 T287 S288 W292 L413 L458	T274-L285 HydrophobicContact CG2-CB 4.37Å; T274-L285 HydrophobicContact CG2-CD1 4.27Å; T274-L285 PolarHBondContact O-N 2.9Å; A276-L285 HydrophobicContact CB-CD1 4.09Å; A276-L285 HydrophobicContact CB-CD2 4.06Å; A276-L285 HydrophobicContact CB-CG 4.31Å; W283-L285 HydrophobicContact CB-CD2 4.18Å; L285-T287 PolarHBondContact O-N 3.23Å; L285-S288 WeakPolarHBondContact O-CB 3.33Å; L285-S288 PolarHBondContact O-N 3.21Å; L285-S288 PolarHBondContact O-OG 3.19Å; L285-S288 VanDerWaalsContact O-OG 3.12Å; L285-W292 HydrophobicContact CD2-CH2 4.22Å; L285-W292 HydrophobicContact CD2-CZ3 3.71Å; L285-L413 HydrophobicContact CD1-CD1 3.92Å; L285-L458 HydrophobicContact CD2-CD2 3.74Å
286	D	94.1	Very high	95.3	Very high	50 Å²	50	30 Å²	30	27%	0.267	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.9	-178.6	61.1	-67.7	0	0	0	112.8	T274 R284	T274-D286 PolarHBondContact N-OD1 3.35Å; R284-D286 WeakPolarHBondContact CG-OD1 3.43Å; R284-D286 IonicContact CZ-OD1 2.9Å; R284-D286 IonicContact CZ-OD2 3.67Å; R284-D286 IonicContact NE-OD1 2.66Å; R284-D286 PolarHBondContact NE-OD1 3.2Å; R284-D286 IonicContact NE-OD2 3.78Å; R284-D286 PolarHBondContact NE-OD2 3.39Å; R284-D286 IonicContact NH2-OD2 3.83Å; R284-D286 PolarHBondContact NH2-OD2 3.45Å
287	T	94.4	Very high	95.4	Very high	4 Å²	4	30 Å²	30	3%	0.025	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	14	178.8	54	0	0	0	0	113.9	L195 R284 L285 R289 D290	L195-T287 WeakPolarHBondContact CD2-OG1 3.46Å; R284-T287 HydrophobicContact CG-CG2 4.27Å; R284-T287 WeakPolarHBondContact CG-OG1 3.43Å; R284-T287 PolarHBondContact O-OG1 3.17Å; L285-T287 PolarHBondContact O-N 3.23Å; T287-R289 PolarHBondContact O-N 3.1Å; T287-D290 WeakPolarHBondContact O-CB 3.38Å; T287-D290 PolarHBondContact O-N 3.32Å
288	S	93.1	Very high	95.3	Very high	54 Å²	54	33.4 Å²	33.4	38%	0.378	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-53.7	-26.1	-176.6	50	0	0	0	0	115.2	L285 D290 G291	L285-S288 WeakPolarHBondContact O-CB 3.33Å; L285-S288 PolarHBondContact O-N 3.21Å; L285-S288 PolarHBondContact O-OG 3.19Å; L285-S288 VanDerWaalsContact O-OG 3.12Å; S288-D290 PolarHBondContact O-N 3.4Å; S288-G291 PolarHBondContact O-N 3.06Å
289	R	91.9	Very high	95.2	Very high	108 Å²	108	35.7 Å²	35.7	41%	0.408	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-60.9	-33.9	173.1	-169	175.6	-170.9	-160.3	-7.5	112.4	D63 G65 H105 T287 G291	D63-R289 WeakPolarHBondContact O-CD 3.16Å; D63-R289 PolarHBondContact O-NE 3.38Å; D63-R289 PolarHBondContact O-NH1 2.82Å; D63-R289 VanDerWaalsContact O-NH1 3.15Å; D63-R289 PolarHBondContact O-NH2 2.86Å; D63-R289 IonicContact OD2-NH2 3.51Å; D63-R289 PolarHBondContact OD2-NH2 3.36Å; G65-R289 WeakPolarHBondContact CA-O 3.32Å; H105-R289 PolarHBondContact O-NH1 2.87Å; T287-R289 PolarHBondContact O-N 3.1Å; R289-G291 PolarHBondContact O-N 3.5Å
290	D	94.4	Very high	95.2	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.037	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-85.9	3	-179.2	-56.2	-23.5	0	0	0	112.4	L61 G65 R102 W194 L195 T287 S288	L61-D290 HydrophobicContact CD1-CB 4.03Å; G65-D290 WeakPolarHBondContact CA-OD1 3.23Å; R102-D290 IonicContact CZ-OD1 3.43Å; R102-D290 VanDerWaalsContact CZ-OD1 3.28Å; R102-D290 IonicContact CZ-OD2 3.04Å; R102-D290 IonicContact NH1-OD1 3.08Å; R102-D290 PolarHBondContact NH1-OD1 2.96Å; R102-D290 IonicContact NH2-OD1 2.98Å; R102-D290 PolarHBondContact NH2-OD1 3.25Å; R102-D290 IonicContact NH2-OD2 3.96Å; R102-D290 PolarHBondContact NH2-OD2 2.96Å; W194-D290 PolarHBondContact NE1-O 2.91Å; L195-D290 HydrophobicContact CD2-CB 3.99Å; T287-D290 WeakPolarHBondContact O-CB 3.38Å; T287-D290 PolarHBondContact O-N 3.32Å; S288-D290 PolarHBondContact O-N 3.4Å
291	G	92.6	Very high	95.3	Very high	27 Å²	27	31.9 Å²	31.9	28%	0.278	17%	0.171	S	C	.	.			trans	106.8	-166.4	-178.3	0	0	0	0	0	113.8	L195 S288 R289	L195-G291 WeakPolarHBondContact CD2-O 3.27Å; S288-G291 PolarHBondContact O-N 3.06Å; R289-G291 PolarHBondContact O-N 3.5Å
292	W	92.8	Very high	95.1	Very high	52 Å²	52	33.1 Å²	33.1	20%	0.197	18%	0.182	C	C	.	.			trans	-133.4	132	-174.3	-64.2	94.2	0	0	0	110.4	L285 L457 L458	L285-W292 HydrophobicContact CD2-CH2 4.22Å; L285-W292 HydrophobicContact CD2-CZ3 3.71Å; W292-L457 WeakPolarHBondContact CH2-O 3.04Å; W292-L458 VanDerWaalsContact CE2-O 3.24Å; W292-L458 HydrophobicContact CE3-CD2 4.43Å; W292-L458 HydrophobicContact CZ3-CD2 4.03Å
293	H	93.6	Very high	95	Very high	31 Å²	31	40.5 Å²	40.5	14%	0.144	22%	0.217	C	C	.	.			trans	-155.8	143.5	168.8	-164.1	-76.9	0	0	0	108.9	W194 L195 E253 W295	W194-H293 HydrophobicContact CH2-CB 3.79Å; W194-H293 AromaticContact CH2-CD2 3.99Å; W194-H293 HydrophobicContact CZ2-CB 4.36Å; W194-H293 HydrophobicContact CZ3-CB 4.4Å; L195-H293 HydrophobicContact CD1-CB 3.68Å; E253-H293 IonicContact OE1-CD2 3.85Å; E253-H293 IonicContact OE2-NE2 3.48Å; H293-W295 HydrophobicContact CB-CZ2 3.86Å; H293-W295 AromaticContact CE1-CE3 3.77Å; H293-W295 AromaticContact CE1-CH2 3.52Å; H293-W295 AromaticContact CE1-CZ3 3.39Å; H293-W295 WeakPolarHBondContact CE1-CZ3 3.39Å; H293-W295 AromaticContact CG-CE2 3.99Å; H293-W295 AromaticContact CG-CH2 3.84Å; H293-W295 AromaticContact CG-CZ2 3.62Å; H293-W295 AromaticContact ND1-CD2 3.6Å; H293-W295 AromaticContact ND1-CE2 3.43Å; H293-W295 AromaticContact ND1-CE3 3.6Å; H293-W295 AromaticContact ND1-CH2 3.35Å; H293-W295 WeakPolarHBondContact ND1-CH2 3.47Å; H293-W295 AromaticContact ND1-CZ2 3.34Å; H293-W295 VanDerWaalsContact ND1-CZ2 3.34Å; H293-W295 WeakPolarHBondContact ND1-CZ2 3.45Å; H293-W295 AromaticContact ND1-CZ3 3.49Å; H293-W295 WeakPolarHBondContact ND1-CZ3 3.4Å
294	S	95.2	Very high	95	Very high	6 Å²	6	41.3 Å²	41.3	4%	0.042	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	147	175.2	75.5	0	0	0	0	110.8	Y282	Y282-S294 CarbonylContact O-C 3.58Å; Y282-S294 VanDerWaalsContact O-CA 3.25Å; Y282-S294 WeakPolarHBondContact O-CA 3.29Å
295	W	95.4	Very high	95.1	Very high	28 Å²	28	40.5 Å²	40.5	11%	0.106	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.1	176.3	-54	104.5	0	0	0	110.8	W194 H281 Y282 H293 I297	W194-W295 HydrophobicContact CE3-CZ2 4.23Å; W194-W295 HydrophobicContact CH2-CZ2 4.47Å; W194-W295 AromaticContact CZ3-CH2 3.98Å; W194-W295 HydrophobicContact CZ3-CH2 3.98Å; W194-W295 AromaticContact CZ3-CZ2 3.76Å; W194-W295 HydrophobicContact CZ3-CZ2 3.76Å; H281-W295 CarbonylContact C-O 3.6Å; H281-W295 WeakPolarHBondContact CA-O 3.44Å; Y282-W295 HydrophobicContact CD1-CB 4.28Å; Y282-W295 WeakPolarHBondContact CD1-O 3.42Å; Y282-W295 HydrophobicContact CE1-CB 3.61Å; Y282-W295 HydrophobicContact CE2-CB 4.46Å; Y282-W295 PolarHBondContact N-O 3.08Å; Y282-W295 PolarHBondContact O-N 3.4Å; H293-W295 HydrophobicContact CB-CZ2 3.86Å; H293-W295 AromaticContact CE1-CE3 3.77Å; H293-W295 AromaticContact CE1-CH2 3.52Å; H293-W295 AromaticContact CE1-CZ3 3.39Å; H293-W295 WeakPolarHBondContact CE1-CZ3 3.39Å; H293-W295 AromaticContact CG-CE2 3.99Å; H293-W295 AromaticContact CG-CH2 3.84Å; H293-W295 AromaticContact CG-CZ2 3.62Å; H293-W295 AromaticContact ND1-CD2 3.6Å; H293-W295 AromaticContact ND1-CE2 3.43Å; H293-W295 AromaticContact ND1-CE3 3.6Å; H293-W295 AromaticContact ND1-CH2 3.35Å; H293-W295 WeakPolarHBondContact ND1-CH2 3.47Å; H293-W295 AromaticContact ND1-CZ2 3.34Å; H293-W295 VanDerWaalsContact ND1-CZ2 3.34Å; H293-W295 WeakPolarHBondContact ND1-CZ2 3.45Å; H293-W295 AromaticContact ND1-CZ3 3.49Å; H293-W295 WeakPolarHBondContact ND1-CZ3 3.4Å; W295-I297 PolarHBondContact O-N 3.07Å
296	P	96.4	Very high	95.2	Very high	40 Å²	40	43.4 Å²	43.4	26%	0.26	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	138.4	168.5	-25.4	32.4	0	0	0	111.6	T280 Y282 A298 H299	T280-P296 WeakPolarHBondContact O-CA 3.21Å; Y282-P296 WeakPolarHBondContact CE1-O 3.21Å; P296-A298 PolarHBondContact O-N 2.89Å; P296-H299 VanDerWaalsContact O-CB 3.31Å; P296-H299 WeakPolarHBondContact O-CB 3.37Å; P296-H299 PolarHBondContact O-N 2.92Å
297	I	98.2	Very high	95.4	Very high	3 Å²	3	43 Å²	43	2%	0.015	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-52.2	-43.3	179.2	-67.9	160.5	0	0	0	111.3	F277 T280 Y282 W295 H299 Q300 W301 V308	F277-I297 HydrophobicContact CD1-CD1 4.11Å; F277-I297 HydrophobicContact CD1-CG1 3.96Å; F277-I297 HydrophobicContact CE1-CG1 4.17Å; T280-I297 PolarHBondContact O-N 3.28Å; Y282-I297 HydrophobicContact CD1-CG1 4.48Å; W295-I297 PolarHBondContact O-N 3.07Å; I297-H299 PolarHBondContact O-N 2.82Å; I297-Q300 PolarHBondContact O-N 3.03Å; I297-W301 HydrophobicContact CG2-CB 4.42Å; I297-W301 HydrophobicContact CG2-CE3 3.99Å; I297-W301 PolarHBondContact O-N 2.96Å; I297-V308 HydrophobicContact CD1-CG2 4.08Å
298	A	96.3	Very high	95.6	Very high	70 Å²	70	42.8 Å²	42.8	58%	0.579	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-60.5	-17.4	-179.8	0	0	0	0	0	114.7	P296 Q300	P296-A298 PolarHBondContact O-N 2.89Å; A298-Q300 VanDerWaalsContact C-N 3.31Å
299	H	94.9	Very high	95.8	Very high	76 Å²	76	42.4 Å²	42.4	35%	0.352	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-71.1	-27.7	176	-74.2	-172.4	0	0	0	113.2	R197 P296 I297	R197-H299 PolarHBondContact NH2-ND1 3.4Å; P296-H299 VanDerWaalsContact O-CB 3.31Å; P296-H299 WeakPolarHBondContact O-CB 3.37Å; P296-H299 PolarHBondContact O-N 2.92Å; I297-H299 PolarHBondContact O-N 2.82Å
300	Q	96.6	Very high	96.2	Very high	34 Å²	34	37.3 Å²	37.3	16%	0.159	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-36.7	-173.2	-170.6	63.7	36	0	0	111.6	Y282 I297 A298 P302 Y335	Y282-Q300 HydrophobicContact CE1-CB 3.81Å; Y282-Q300 WeakPolarHBondContact OH-CB 3.47Å; I297-Q300 PolarHBondContact O-N 3.03Å; A298-Q300 VanDerWaalsContact C-N 3.31Å; Q300-P302 VanDerWaalsContact C-CD 3.44Å; Q300-P302 WeakPolarHBondContact O-CD 3.44Å; Q300-Y335 HydrophobicContact CG-CD2 3.69Å; Q300-Y335 HydrophobicContact CG-CE2 3.64Å; Q300-Y335 WeakPolarHBondContact O-CD2 3.44Å
301	W	97.5	Very high	96.4	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-113.2	76.4	173.9	-60.5	-83.2	0	0	0	109.5	M267 Y275 F277 Y282 I297 Q303 G304 L318 L320 F329 Y335	M267-W301 HydrophobicContact CE-CH2 4.17Å; M267-W301 HydrophobicContact CE-CZ2 3.61Å; Y275-W301 AromaticContact CD1-CH2 3.72Å; Y275-W301 HydrophobicContact CD1-CH2 3.72Å; Y275-W301 HydrophobicContact CD1-CZ2 4.39Å; Y275-W301 HydrophobicContact CD2-CH2 4.05Å; Y275-W301 HydrophobicContact CD2-CZ2 4.03Å; Y275-W301 AromaticContact CE1-CH2 3.9Å; Y275-W301 HydrophobicContact CE1-CH2 3.9Å; Y275-W301 HydrophobicContact CE1-CZ2 4.3Å; Y275-W301 HydrophobicContact CE2-CH2 4.23Å; Y275-W301 AromaticContact CE2-CZ2 3.95Å; Y275-W301 HydrophobicContact CE2-CZ2 3.95Å; Y275-W301 AromaticContact CG-CH2 3.77Å; Y275-W301 HydrophobicContact CG-CH2 3.77Å; Y275-W301 HydrophobicContact CG-CZ2 4.23Å; F277-W301 HydrophobicContact CE1-CE3 4.05Å; F277-W301 AromaticContact CE1-CH2 3.94Å; F277-W301 HydrophobicContact CE1-CH2 3.94Å; F277-W301 AromaticContact CE1-CZ3 3.54Å; F277-W301 HydrophobicContact CE1-CZ3 3.54Å; F277-W301 HydrophobicContact CZ-CE3 4.35Å; F277-W301 AromaticContact CZ-CH2 3.6Å; F277-W301 HydrophobicContact CZ-CH2 3.6Å; F277-W301 HydrophobicContact CZ-CZ2 4.13Å; F277-W301 AromaticContact CZ-CZ3 3.71Å; F277-W301 HydrophobicContact CZ-CZ3 3.71Å; Y282-W301 HydrophobicContact CD1-CE3 4.4Å; Y282-W301 HydrophobicContact CD1-CH2 4.48Å; Y282-W301 AromaticContact CD1-CZ3 3.6Å; Y282-W301 HydrophobicContact CD1-CZ3 3.6Å; Y282-W301 HydrophobicContact CD2-CH2 4.3Å; Y282-W301 HydrophobicContact CD2-CZ3 4.18Å; Y282-W301 HydrophobicContact CE1-CE3 4.44Å; Y282-W301 AromaticContact CE1-CZ3 3.78Å; Y282-W301 HydrophobicContact CE1-CZ3 3.78Å; Y282-W301 HydrophobicContact CE2-CH2 4.45Å; Y282-W301 HydrophobicContact CE2-CZ3 4.36Å; Y282-W301 HydrophobicContact CG-CH2 4.32Å; Y282-W301 AromaticContact CG-CZ3 3.8Å; Y282-W301 HydrophobicContact CG-CZ3 3.8Å; I297-W301 HydrophobicContact CG2-CB 4.42Å; I297-W301 HydrophobicContact CG2-CE3 3.99Å; I297-W301 PolarHBondContact O-N 2.96Å; W301-Q303 PolarHBondContact O-N 2.81Å; W301-G304 PolarHBondContact O-N 3.29Å; W301-L318 HydrophobicContact CZ2-CD1 4.39Å; W301-L320 HydrophobicContact CB-CD1 4.14Å; W301-L320 HydrophobicContact CD2-CD1 4.04Å; W301-L320 HydrophobicContact CG-CD1 3.76Å; W301-F329 HydrophobicContact CB-CE1 4.05Å; W301-F329 HydrophobicContact CB-CE2 4.32Å; W301-F329 HydrophobicContact CB-CZ 3.85Å; W301-F329 AromaticContact CD1-CD2 3.93Å; W301-F329 AromaticContact CD1-CG 3.95Å; W301-F329 HydrophobicContact CG-CZ 4.44Å; W301-Y335 AromaticContact CD1-CD2 3.79Å; W301-Y335 AromaticContact CD1-CG 3.74Å; W301-Y335 HydrophobicContact CD2-CD2 4.46Å; W301-Y335 AromaticContact CE2-CD2 3.76Å; W301-Y335 AromaticContact CE2-CE2 3.77Å; W301-Y335 HydrophobicContact CG-CD2 4.45Å; W301-Y335 HydrophobicContact CZ2-CD2 4.21Å; W301-Y335 AromaticContact CZ2-CE2 3.74Å; W301-Y335 HydrophobicContact CZ2-CE2 3.74Å; W301-Y335 AromaticContact NE1-CD1 3.94Å; W301-Y335 AromaticContact NE1-CD2 3.31Å; W301-Y335 VanDerWaalsContact NE1-CD2 3.31Å; W301-Y335 AromaticContact NE1-CE2 3.61Å; W301-Y335 AromaticContact NE1-CG 3.47Å
302	P	93	Very high	96.6	Very high	62 Å²	62	36.2 Å²	36.2	40%	0.403	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	140.4	176	28.1	-34.6	0	0	0	109.5	Q300 G304	Q300-P302 VanDerWaalsContact C-CD 3.44Å; Q300-P302 WeakPolarHBondContact O-CD 3.44Å; P302-G304 PolarHBondContact O-N 3.2Å
303	Q	95.7	Very high	96.9	Very high	158 Å²	158	35.2 Å²	35.2	74%	0.738	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	12.1	-174	-48.7	172.5	54	0	0	114.5	W301 L337	W301-Q303 PolarHBondContact O-N 2.81Å; Q303-L337 HydrophobicContact CB-CD2 3.82Å
304	G	97.6	Very high	97	Very high	22 Å²	22	35.7 Å²	35.7	23%	0.227	21%	0.208	C	C	.	.			trans	-79.2	-175	170.9	0	0	0	0	0	113.8	W301 P302	W301-G304 PolarHBondContact O-N 3.29Å; P302-G304 PolarHBondContact O-N 3.2Å
305	P	98.2	Very high	96.9	Very high	6 Å²	6	41.3 Å²	41.3	4%	0.039	23%	0.233	C	C	.	.			trans	-71.9	163	179.2	32.5	-36.3	0	0	0	112.1	T307 V308 L320 Q322 Y327	P305-T307 VanDerWaalsContact CB-O 3.26Å; P305-T307 WeakPolarHBondContact CB-O 3.16Å; P305-T307 WeakPolarHBondContact CG-O 3.38Å; P305-V308 HydrophobicContact CG-CG2 4.03Å; P305-L320 HydrophobicContact CG-CB 4.09Å; P305-L320 HydrophobicContact CG-CD1 4.31Å; P305-Q322 HydrophobicContact CB-CB 3.7Å; P305-Q322 HydrophobicContact CB-CG 4.29Å; P305-Q322 VanDerWaalsContact CB-OE1 3.23Å; P305-Y327 HydrophobicContact CB-CD2 4.06Å; P305-Y327 HydrophobicContact CB-CE2 3.66Å; P305-Y327 HydrophobicContact CG-CD2 4.06Å; P305-Y327 HydrophobicContact CG-CE2 4.18Å
306	S	97.6	Very high	96.8	Very high	74 Å²	74	43.9 Å²	43.9	52%	0.517	25%	0.247	S	C	.	.	S	Bend	trans	-79.4	-27.1	176.1	57.7	0	0	0	0	113.4	T280 Q322	T280-S306 WeakPolarHBondContact CA-O 3.42Å; S306-Q322 PolarHBondContact OG-NE2 2.91Å
307	T	98.1	Very high	96.8	Very high	41 Å²	41	45.3 Å²	45.3	25%	0.252	25%	0.249	S	C	.	.	S	Bend	trans	-136.3	161.8	172.8	62.6	0	0	0	0	109.2	T280 P305 Q322	T280-T307 HydrophobicContact CG2-CG2 4.42Å; P305-T307 VanDerWaalsContact CB-O 3.26Å; P305-T307 WeakPolarHBondContact CB-O 3.16Å; P305-T307 WeakPolarHBondContact CG-O 3.38Å; T307-Q322 PolarHBondContact OG1-NE2 2.88Å
308	V	98.6	Very high	96.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.248	C	C	.	.			trans	-127.5	119.2	178.5	-178.1	0	0	0	0	108.8	S264 A265 F277 I297 P305 A310 A311 L320	S264-V308 CarbonylContact C-O 3.46Å; S264-V308 VanDerWaalsContact CB-O 3.26Å; S264-V308 WeakPolarHBondContact CB-O 3.39Å; S264-V308 PolarHBondContact OG-O 3.45Å; A265-V308 HydrophobicContact CB-CB 4.31Å; A265-V308 HydrophobicContact CB-CG1 3.63Å; F277-V308 HydrophobicContact CB-CB 4.19Å; F277-V308 HydrophobicContact CD1-CB 3.89Å; F277-V308 HydrophobicContact CD1-CG2 3.62Å; F277-V308 HydrophobicContact CD2-CB 4.49Å; F277-V308 HydrophobicContact CD2-CG1 4.38Å; F277-V308 HydrophobicContact CE1-CB 4.4Å; F277-V308 HydrophobicContact CE1-CG2 3.78Å; F277-V308 HydrophobicContact CG-CB 3.94Å; F277-V308 HydrophobicContact CG-CG1 4.31Å; F277-V308 HydrophobicContact CG-CG2 4.19Å; F277-V308 HydrophobicContact CZ-CG2 4.46Å; I297-V308 HydrophobicContact CD1-CG2 4.08Å; P305-V308 HydrophobicContact CG-CG2 4.03Å; V308-A310 WeakPolarHBondContact CG1-O 3.27Å; V308-A311 HydrophobicContact CG1-CB 3.99Å; V308-L320 HydrophobicContact CG1-CD2 4.06Å; V308-L320 HydrophobicContact CG2-CB 4.47Å; V308-L320 HydrophobicContact CG2-CD1 4.23Å; V308-L320 HydrophobicContact CG2-CD2 4.31Å
309	D	98.4	Very high	96.9	Very high	45 Å²	45	42.2 Å²	42.2	24%	0.241	22%	0.222	C	C	.	.	S	Bend	trans	-96.8	-26.3	-179.1	-53.6	-23.2	0	0	0	111.4	S264 V321 G323 V360 D361	S264-D309 CarbonylContact O-C 3.52Å; D309-V321 PolarHBondContact N-O 3.23Å; D309-G323 PolarHBondContact OD2-N 2.79Å; D309-V360 WeakPolarHBondContact CB-O 3.22Å; D309-D361 CarbonylContact O-C 3.57Å; D309-D361 VanDerWaalsContact O-O 3.06Å
310	A	98.4	Very high	97.1	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	153.6	170.4	0	0	0	0	0	110.1	V308 V321 V360 A363	V308-A310 WeakPolarHBondContact CG1-O 3.27Å; A310-V321 HydrophobicContact CB-CB 4.18Å; A310-V321 HydrophobicContact CB-CG2 4.45Å; A310-V321 PolarHBondContact N-O 2.89Å; A310-V321 WeakPolarHBondContact O-CB 3.23Å; A310-V321 PolarHBondContact O-N 2.04Å; A310-V360 HydrophobicContact CB-CB 4.45Å; A310-V360 HydrophobicContact CB-CG1 3.79Å; A310-A363 HydrophobicContact CB-CB 3.96Å
311	A	98.6	Very high	97.2	Very high	2 Å²	2	37.1 Å²	37.1	2%	0.017	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	147.6	177.3	0	0	0	0	0	111.2	A265 M267 V308 Y319 L320 A363	A265-A311 HydrophobicContact CB-CB 4.27Å; M267-A311 HydrophobicContact CB-CB 3.61Å; M267-A311 HydrophobicContact CG-CB 4.11Å; V308-A311 HydrophobicContact CG1-CB 3.99Å; A311-Y319 VanDerWaalsContact CA-O 3.23Å; A311-Y319 WeakPolarHBondContact CA-O 3.34Å; A311-L320 HydrophobicContact CB-CD2 3.67Å; A311-A363 VanDerWaalsContact O-O 3.09Å
312	F	98.3	Very high	97.2	Very high	9 Å²	9	39.1 Å²	39.1	4%	0.039	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	166.7	174.6	63.9	-85.7	0	0	0	110.5	Y319 A363 V365 L372 L385	F312-Y319 AromaticContact CD2-CD2 3.78Å; F312-Y319 HydrophobicContact CD2-CD2 3.78Å; F312-Y319 HydrophobicContact CD2-CG 4.02Å; F312-Y319 HydrophobicContact CE1-CD1 4.42Å; F312-Y319 HydrophobicContact CE1-CG 4.02Å; F312-Y319 AromaticContact CE2-CD1 3.89Å; F312-Y319 HydrophobicContact CE2-CD1 3.89Å; F312-Y319 AromaticContact CE2-CD2 3.4Å; F312-Y319 HydrophobicContact CE2-CD2 3.4Å; F312-Y319 HydrophobicContact CE2-CE1 4.39Å; F312-Y319 AromaticContact CE2-CE2 3.95Å; F312-Y319 HydrophobicContact CE2-CE2 3.95Å; F312-Y319 AromaticContact CE2-CG 3.4Å; F312-Y319 HydrophobicContact CE2-CG 3.4Å; F312-Y319 VanDerWaalsContact CZ-CB 3.48Å; F312-Y319 AromaticContact CZ-CD1 3.61Å; F312-Y319 HydrophobicContact CZ-CD1 3.61Å; F312-Y319 AromaticContact CZ-CD2 3.93Å; F312-Y319 HydrophobicContact CZ-CD2 3.93Å; F312-Y319 HydrophobicContact CZ-CE1 4.36Å; F312-Y319 AromaticContact CZ-CG 3.39Å; F312-Y319 HydrophobicContact CZ-CG 3.39Å; F312-Y319 PolarHBondContact N-O 2.71Å; F312-Y319 PolarHBondContact O-N 3.24Å; F312-A363 HydrophobicContact CB-CB 4.43Å; F312-A363 HydrophobicContact CD1-CB 3.71Å; F312-A363 HydrophobicContact CE1-CB 4.44Å; F312-A363 HydrophobicContact CG-CB 4.44Å; F312-V365 HydrophobicContact CB-CG2 4.3Å; F312-V365 HydrophobicContact CD2-CG2 3.68Å; F312-V365 HydrophobicContact CE2-CG2 4.4Å; F312-V365 HydrophobicContact CG-CG2 4.28Å; F312-L372 HydrophobicContact CB-CD1 4.35Å; F312-L372 HydrophobicContact CD1-CD1 3.77Å; F312-L372 HydrophobicContact CD2-CD1 3.84Å; F312-L372 HydrophobicContact CE1-CD1 3.93Å; F312-L372 HydrophobicContact CE1-CD2 3.92Å; F312-L372 HydrophobicContact CE2-CD1 4Å; F312-L372 HydrophobicContact CE2-CD2 4.06Å; F312-L372 HydrophobicContact CG-CD1 3.72Å; F312-L372 HydrophobicContact CZ-CD1 4.04Å; F312-L372 HydrophobicContact CZ-CD2 3.62Å; F312-L372 HydrophobicContact CZ-CG 4.49Å; F312-L385 HydrophobicContact CE2-CD1 4.14Å; F312-L385 HydrophobicContact CE2-CD2 4.11Å; F312-L385 HydrophobicContact CZ-CD2 4.42Å
313	S	97.5	Very high	97.3	Very high	31 Å²	31	37 Å²	37	22%	0.217	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	147.3	173.7	59.5	0	0	0	0	110.1	S268 K317 V365	S268-S313 VanDerWaalsContact O-CB 3.32Å; S268-S313 WeakPolarHBondContact O-CB 3.38Å; S268-S313 PolarHBondContact O-OG 2.86Å; S313-K317 WeakPolarHBondContact CA-O 3.31Å; S313-V365 WeakPolarHBondContact O-CB 3.41Å
314	W	96.9	Very high	97.2	Very high	42 Å²	42	31.2 Å²	31.2	16%	0.159	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	130.7	173.6	-179.2	59.3	0	0	0	109.3	E316 K317 Y319 L385 K386	W314-E316 PolarHBondContact O-N 3.29Å; W314-K317 PolarHBondContact N-O 3.3Å; W314-K317 WeakPolarHBondContact O-CB 3.31Å; W314-K317 PolarHBondContact O-N 3.44Å; W314-K317 VanDerWaalsContact O-N 3.16Å; W314-Y319 HydrophobicContact CB-CE2 4.15Å; W314-L385 HydrophobicContact CB-CD1 3.54Å; W314-L385 HydrophobicContact CD2-CB 3.81Å; W314-L385 HydrophobicContact CD2-CD1 3.48Å; W314-L385 VanDerWaalsContact CD2-CD1 3.48Å; W314-L385 HydrophobicContact CD2-CG 4.25Å; W314-L385 HydrophobicContact CE3-CB 3.75Å; W314-L385 HydrophobicContact CE3-CD1 3.86Å; W314-L385 HydrophobicContact CE3-CG 4.29Å; W314-L385 HydrophobicContact CG-CD1 3.32Å; W314-L385 HydrophobicContact CH2-CB 3.95Å; W314-L385 HydrophobicContact CZ2-CB 4Å; W314-L385 HydrophobicContact CZ3-CB 3.82Å; W314-K386 HydrophobicContact CH2-CG 4.2Å; W314-K386 HydrophobicContact CZ2-CG 3.94Å
315	E	93.2	Very high	97.2	Very high	123 Å²	123	34.3 Å²	34.3	58%	0.575	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	-132.2	-168.9	-55.3	-176.4	156.4	0	0	111.6	K317	E315-K317 VanDerWaalsContact C-N 3.27Å; E315-K317 PolarHBondContact O-N 3.06Å
316	E	93.1	Very high	97.2	Very high	82 Å²	82	34.1 Å²	34.1	38%	0.383	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	28.3	177.3	-56.8	-173.2	138.4	0	0	112.4	W314 T331 K332	W314-E316 PolarHBondContact O-N 3.29Å; E316-T331 PolarHBondContact O-N 2.04Å; E316-T331 PolarHBondContact O-OG1 2.81Å; E316-K332 WeakPolarHBondContact OE2-CE 2.99Å; E316-K332 IonicContact OE2-NZ 3.84Å; E316-K332 PolarHBondContact OE2-NZ 2.92Å
317	K	96.6	Very high	97.3	Very high	70 Å²	70	31.6 Å²	31.6	30%	0.304	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.8	-176.3	-64.4	170.9	-175.3	168.6	0	112	S313 W314 E315 Y319 V328 F329 L330	S313-K317 WeakPolarHBondContact CA-O 3.31Å; W314-K317 PolarHBondContact N-O 3.3Å; W314-K317 WeakPolarHBondContact O-CB 3.31Å; W314-K317 PolarHBondContact O-N 3.44Å; W314-K317 VanDerWaalsContact O-N 3.16Å; E315-K317 VanDerWaalsContact C-N 3.27Å; E315-K317 PolarHBondContact O-N 3.06Å; K317-Y319 HydrophobicContact CB-CE2 3.7Å; K317-V328 HydrophobicContact CB-CG1 4.05Å; K317-V328 HydrophobicContact CD-CG1 3.96Å; K317-V328 HydrophobicContact CG-CG1 4.15Å; K317-F329 CarbonylContact C-O 3.5Å; K317-F329 VanDerWaalsContact CA-O 3.28Å; K317-F329 WeakPolarHBondContact CA-O 3.4Å; K317-L330 HydrophobicContact CG-CD2 4.2Å
318	L	97.6	Very high	97.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.1	176	-177.5	168.5	0	0	0	108.8	M267 W301 L320 V328 F329 T331 Y335	M267-L318 HydrophobicContact CE-CD1 3.59Å; M267-L318 HydrophobicContact CE-CD2 4.1Å; M267-L318 HydrophobicContact CE-CG 4.03Å; M267-L318 HydrophobicContact CG-CG 4.33Å; M267-L318 HydrophobicContact SD-CD1 3.43Å; M267-L318 WeakPolarHBondContact SD-CD1 3.48Å; M267-L318 HydrophobicContact SD-CD2 4.47Å; M267-L318 HydrophobicContact SD-CG 3.79Å; W301-L318 HydrophobicContact CZ2-CD1 4.39Å; L318-L320 HydrophobicContact CD2-CD1 4.32Å; L318-L320 HydrophobicContact CD2-CD2 3.51Å; L318-L320 HydrophobicContact CD2-CG 3.53Å; L318-V328 CarbonylContact O-C 3.54Å; L318-V328 WeakPolarHBondContact O-CA 3.35Å; L318-F329 HydrophobicContact CB-CB 4.4Å; L318-F329 HydrophobicContact CD2-CD2 4.3Å; L318-F329 PolarHBondContact N-O 3.24Å; L318-F329 PolarHBondContact O-N 3.12Å; L318-T331 HydrophobicContact CB-CG2 4.22Å; L318-Y335 HydrophobicContact CD1-CD1 3.92Å; L318-Y335 HydrophobicContact CD1-CE1 3.46Å; L318-Y335 VanDerWaalsContact CD1-CE1 3.46Å
319	Y	98.5	Very high	97.3	Very high	8 Å²	8	29.7 Å²	29.7	3%	0.031	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.4	-177.3	-61.1	-106.8	0	0	0	108.9	A311 F312 W314 K317 V326 Y327 V328	A311-Y319 VanDerWaalsContact CA-O 3.23Å; A311-Y319 WeakPolarHBondContact CA-O 3.34Å; F312-Y319 AromaticContact CD2-CD2 3.78Å; F312-Y319 HydrophobicContact CD2-CD2 3.78Å; F312-Y319 HydrophobicContact CD2-CG 4.02Å; F312-Y319 HydrophobicContact CE1-CD1 4.42Å; F312-Y319 HydrophobicContact CE1-CG 4.02Å; F312-Y319 AromaticContact CE2-CD1 3.89Å; F312-Y319 HydrophobicContact CE2-CD1 3.89Å; F312-Y319 AromaticContact CE2-CD2 3.4Å; F312-Y319 HydrophobicContact CE2-CD2 3.4Å; F312-Y319 HydrophobicContact CE2-CE1 4.39Å; F312-Y319 AromaticContact CE2-CE2 3.95Å; F312-Y319 HydrophobicContact CE2-CE2 3.95Å; F312-Y319 AromaticContact CE2-CG 3.4Å; F312-Y319 HydrophobicContact CE2-CG 3.4Å; F312-Y319 VanDerWaalsContact CZ-CB 3.48Å; F312-Y319 AromaticContact CZ-CD1 3.61Å; F312-Y319 HydrophobicContact CZ-CD1 3.61Å; F312-Y319 AromaticContact CZ-CD2 3.93Å; F312-Y319 HydrophobicContact CZ-CD2 3.93Å; F312-Y319 HydrophobicContact CZ-CE1 4.36Å; F312-Y319 AromaticContact CZ-CG 3.39Å; F312-Y319 HydrophobicContact CZ-CG 3.39Å; F312-Y319 PolarHBondContact N-O 2.71Å; F312-Y319 PolarHBondContact O-N 3.24Å; W314-Y319 HydrophobicContact CB-CE2 4.15Å; K317-Y319 HydrophobicContact CB-CE2 3.7Å; Y319-V326 HydrophobicContact CD1-CG1 4Å; Y319-Y327 CarbonylContact C-O 3.59Å; Y319-Y327 VanDerWaalsContact CA-O 3.31Å; Y319-Y327 WeakPolarHBondContact CA-O 3.34Å; Y319-V328 HydrophobicContact CD1-CG2 3.42Å; Y319-V328 VanDerWaalsContact CD1-CG2 3.42Å; Y319-V328 HydrophobicContact CE1-CB 4.48Å; Y319-V328 HydrophobicContact CE1-CG1 4.2Å; Y319-V328 HydrophobicContact CE1-CG2 3.42Å; Y319-V328 VanDerWaalsContact CE1-CG2 3.42Å; Y319-V328 HydrophobicContact CG-CG2 4.25Å
320	L	98.8	Very high	97.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.5	170.1	-59.4	-177.2	0	0	0	109.1	M267 F277 W301 P305 V308 A311 L318 Y327 F329	M267-L320 HydrophobicContact CE-CD2 4.21Å; F277-L320 HydrophobicContact CE2-CD2 4.48Å; F277-L320 HydrophobicContact CZ-CD2 4.03Å; W301-L320 HydrophobicContact CB-CD1 4.14Å; W301-L320 HydrophobicContact CD2-CD1 4.04Å; W301-L320 HydrophobicContact CG-CD1 3.76Å; P305-L320 HydrophobicContact CG-CB 4.09Å; P305-L320 HydrophobicContact CG-CD1 4.31Å; V308-L320 HydrophobicContact CG1-CD2 4.06Å; V308-L320 HydrophobicContact CG2-CB 4.47Å; V308-L320 HydrophobicContact CG2-CD1 4.23Å; V308-L320 HydrophobicContact CG2-CD2 4.31Å; A311-L320 HydrophobicContact CB-CD2 3.67Å; L318-L320 HydrophobicContact CD2-CD1 4.32Å; L318-L320 HydrophobicContact CD2-CD2 3.51Å; L318-L320 HydrophobicContact CD2-CG 3.53Å; L320-Y327 PolarHBondContact N-O 2.78Å; L320-Y327 PolarHBondContact O-N 3.31Å; L320-F329 HydrophobicContact CD1-CE2 4Å; L320-F329 HydrophobicContact CG-CE2 4.33Å
321	V	98.6	Very high	97.1	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.018	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.2	-177.9	-172	0	0	0	0	110	D309 A310 G323 Q325 V326	D309-V321 PolarHBondContact N-O 3.23Å; A310-V321 HydrophobicContact CB-CB 4.18Å; A310-V321 HydrophobicContact CB-CG2 4.45Å; A310-V321 PolarHBondContact N-O 2.89Å; A310-V321 WeakPolarHBondContact O-CB 3.23Å; A310-V321 PolarHBondContact O-N 2.04Å; V321-G323 WeakPolarHBondContact CG1-O 3.09Å; V321-Q325 VanDerWaalsContact CA-O 3.31Å; V321-Q325 WeakPolarHBondContact CA-O 3.49Å; V321-V326 HydrophobicContact CG2-CG2 4.37Å
322	Q	98	Very high	96.8	Very high	42 Å²	42	36.5 Å²	36.5	20%	0.196	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	110.3	171.5	-174.8	178.8	33.2	0	0	108.8	P305 S306 T307 T324 Q325	P305-Q322 HydrophobicContact CB-CB 3.7Å; P305-Q322 HydrophobicContact CB-CG 4.29Å; P305-Q322 VanDerWaalsContact CB-OE1 3.23Å; S306-Q322 PolarHBondContact OG-NE2 2.91Å; T307-Q322 PolarHBondContact OG1-NE2 2.88Å; Q322-T324 PolarHBondContact O-N 3.05Å; Q322-T324 VanDerWaalsContact O-N 3.08Å; Q322-Q325 PolarHBondContact N-O 2.77Å; Q322-Q325 WeakPolarHBondContact O-CB 3.39Å; Q322-Q325 PolarHBondContact O-N 2.94Å
323	G	95.1	Very high	96.3	Very high	18 Å²	18	36.5 Å²	36.5	19%	0.186	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	-108.6	-165.6	0	0	0	0	0	110.4	D309 V321	D309-G323 PolarHBondContact OD2-N 2.79Å; V321-G323 WeakPolarHBondContact CG1-O 3.09Å
324	T	94	Very high	96.2	Very high	37 Å²	37	35.6 Å²	35.6	23%	0.227	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	7.3	173.5	52.7	0	0	0	0	113.5	Q322 R344 L345 L357	Q322-T324 PolarHBondContact O-N 3.05Å; Q322-T324 VanDerWaalsContact O-N 3.08Å; T324-R344 CarbonylContact O-C 3.33Å; T324-R344 WeakPolarHBondContact O-CA 3.34Å; T324-L345 PolarHBondContact O-N 2.84Å; T324-L357 WeakPolarHBondContact CG2-O 3.14Å
325	Q	97.9	Very high	96.2	Very high	86 Å²	86	34.3 Å²	34.3	40%	0.402	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	122.9	174.6	-64.7	-174.3	-13.1	0	0	110.1	V321 Q322 Y327 P342 K343	V321-Q325 VanDerWaalsContact CA-O 3.31Å; V321-Q325 WeakPolarHBondContact CA-O 3.49Å; Q322-Q325 PolarHBondContact N-O 2.77Å; Q322-Q325 WeakPolarHBondContact O-CB 3.39Å; Q322-Q325 PolarHBondContact O-N 2.94Å; Q325-Y327 HydrophobicContact CB-CE2 3.81Å; Q325-Y327 PolarHBondContact OE1-OH 2.96Å; Q325-P342 HydrophobicContact CB-CB 4.26Å; Q325-K343 CarbonylContact C-O 3.47Å; Q325-K343 WeakPolarHBondContact CA-O 3Å
326	V	98.4	Very high	96.4	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.7	175.4	-176.4	0	0	0	0	108.7	Y319 V321 V328 Y341 P342 K343 L345 E348	Y319-V326 HydrophobicContact CD1-CG1 4Å; V321-V326 HydrophobicContact CG2-CG2 4.37Å; V326-V328 HydrophobicContact CG1-CG2 4.16Å; V326-Y341 WeakPolarHBondContact O-CD1 3.26Å; V326-P342 CarbonylContact O-C 3.54Å; V326-P342 WeakPolarHBondContact O-CA 3.06Å; V326-P342 WeakPolarHBondContact O-CB 3.4Å; V326-K343 PolarHBondContact N-O 2.91Å; V326-K343 PolarHBondContact O-N 2.78Å; V326-L345 HydrophobicContact CG2-CB 4.01Å; V326-L345 HydrophobicContact CG2-CD1 3.54Å; V326-L345 HydrophobicContact CG2-CG 4.41Å; V326-E348 HydrophobicContact CG1-CG 4.38Å
327	Y	98.7	Very high	96.6	Very high	21 Å²	21	30.1 Å²	30.1	8%	0.082	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.3	173.3	-62.3	-107.8	0	0	0	108.3	P305 Y319 L320 Q325 L337 P342	P305-Y327 HydrophobicContact CB-CD2 4.06Å; P305-Y327 HydrophobicContact CB-CE2 3.66Å; P305-Y327 HydrophobicContact CG-CD2 4.06Å; P305-Y327 HydrophobicContact CG-CE2 4.18Å; Y319-Y327 CarbonylContact C-O 3.59Å; Y319-Y327 VanDerWaalsContact CA-O 3.31Å; Y319-Y327 WeakPolarHBondContact CA-O 3.34Å; L320-Y327 PolarHBondContact N-O 2.78Å; L320-Y327 PolarHBondContact O-N 3.31Å; Q325-Y327 HydrophobicContact CB-CE2 3.81Å; Q325-Y327 PolarHBondContact OE1-OH 2.96Å; Y327-L337 HydrophobicContact CD1-CD1 4.2Å; Y327-P342 HydrophobicContact CD1-CB 3.88Å; Y327-P342 HydrophobicContact CD1-CG 4.31Å; Y327-P342 HydrophobicContact CD2-CB 4.03Å; Y327-P342 HydrophobicContact CE1-CB 3.65Å; Y327-P342 HydrophobicContact CE1-CG 3.67Å; Y327-P342 HydrophobicContact CE2-CB 3.77Å; Y327-P342 HydrophobicContact CE2-CG 4.37Å; Y327-P342 HydrophobicContact CG-CB 4.07Å
328	V	98.5	Very high	96.6	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.2	-178.6	-179.7	0	0	0	0	110	K317 L318 Y319 V326 V338 Y341	K317-V328 HydrophobicContact CB-CG1 4.05Å; K317-V328 HydrophobicContact CD-CG1 3.96Å; K317-V328 HydrophobicContact CG-CG1 4.15Å; L318-V328 CarbonylContact O-C 3.54Å; L318-V328 WeakPolarHBondContact O-CA 3.35Å; Y319-V328 HydrophobicContact CD1-CG2 3.42Å; Y319-V328 VanDerWaalsContact CD1-CG2 3.42Å; Y319-V328 HydrophobicContact CE1-CB 4.48Å; Y319-V328 HydrophobicContact CE1-CG1 4.2Å; Y319-V328 HydrophobicContact CE1-CG2 3.42Å; Y319-V328 VanDerWaalsContact CE1-CG2 3.42Å; Y319-V328 HydrophobicContact CG-CG2 4.25Å; V326-V328 HydrophobicContact CG1-CG2 4.16Å; V328-V338 HydrophobicContact CB-CB 4.41Å; V328-V338 HydrophobicContact CB-CG2 4.32Å; V328-V338 HydrophobicContact CG1-CB 4.46Å; V328-V338 HydrophobicContact CG1-CG2 3.89Å; V328-V338 WeakPolarHBondContact O-CG2 3.34Å; V328-V338 PolarHBondContact O-N 3.2Å; V328-Y341 HydrophobicContact CB-CD1 3.97Å; V328-Y341 HydrophobicContact CB-CD2 4.09Å; V328-Y341 HydrophobicContact CB-CE1 3.84Å; V328-Y341 HydrophobicContact CB-CE2 3.95Å; V328-Y341 HydrophobicContact CB-CG 4.08Å; V328-Y341 HydrophobicContact CG2-CD1 3.63Å; V328-Y341 HydrophobicContact CG2-CD2 4.49Å; V328-Y341 HydrophobicContact CG2-CE1 3.19Å; V328-Y341 HydrophobicContact CG2-CE2 4.13Å; V328-Y341 HydrophobicContact CG2-CG 4.26Å; V328-Y341 VanDerWaalsContact CG2-CZ 3.47Å
329	F	98.5	Very high	96.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.9	-179.4	-65.2	-94.3	0	0	0	111.3	W301 K317 L318 L320 T336 L337	W301-F329 HydrophobicContact CB-CE1 4.05Å; W301-F329 HydrophobicContact CB-CE2 4.32Å; W301-F329 HydrophobicContact CB-CZ 3.85Å; W301-F329 AromaticContact CD1-CD2 3.93Å; W301-F329 AromaticContact CD1-CG 3.95Å; W301-F329 HydrophobicContact CG-CZ 4.44Å; K317-F329 CarbonylContact C-O 3.5Å; K317-F329 VanDerWaalsContact CA-O 3.28Å; K317-F329 WeakPolarHBondContact CA-O 3.4Å; L318-F329 HydrophobicContact CB-CB 4.4Å; L318-F329 HydrophobicContact CD2-CD2 4.3Å; L318-F329 PolarHBondContact N-O 3.24Å; L318-F329 PolarHBondContact O-N 3.12Å; L320-F329 HydrophobicContact CD1-CE2 4Å; L320-F329 HydrophobicContact CG-CE2 4.33Å; F329-T336 CarbonylContact C-O 3.57Å; F329-T336 VanDerWaalsContact CA-O 3.27Å; F329-T336 WeakPolarHBondContact CA-O 3.24Å; F329-L337 HydrophobicContact CD1-CB 4.18Å; F329-L337 HydrophobicContact CE1-CB 3.83Å; F329-L337 HydrophobicContact CE1-CD1 4.05Å; F329-L337 HydrophobicContact CE2-CD1 4.18Å; F329-L337 HydrophobicContact CZ-CB 4.45Å; F329-L337 HydrophobicContact CZ-CD1 3.85Å
330	L	97.4	Very high	96.6	Very high	66 Å²	66	36.6 Å²	36.6	35%	0.346	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	146.2	164.1	-60.1	177	0	0	0	109.8	K317 Y335 T336 V338	K317-L330 HydrophobicContact CG-CD2 4.2Å; L330-Y335 WeakPolarHBondContact O-CA 3.45Å; L330-T336 PolarHBondContact N-O 3.35Å; L330-T336 PolarHBondContact O-N 3.18Å; L330-T336 VanDerWaalsContact O-N 3.1Å; L330-V338 HydrophobicContact CD2-CG2 4.08Å; L330-V338 HydrophobicContact CG-CG2 3.91Å
331	T	95.5	Very high	96.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	23%	0.226	C	C	.	.			trans	-107.3	31.3	-176.7	66.1	0	0	0	0	113.3	N270 H271 E316 L318 G333 G334 Y335	N270-T331 PolarHBondContact ND2-OG1 3.06Å; N270-T331 WeakPolarHBondContact OD1-CB 3.04Å; N270-T331 PolarHBondContact OD1-OG1 3Å; H271-T331 PolarHBondContact NE2-O 2.91Å; H271-T331 PolarHBondContact NE2-OG1 3.39Å; E316-T331 PolarHBondContact O-N 2.04Å; E316-T331 PolarHBondContact O-OG1 2.81Å; L318-T331 HydrophobicContact CB-CG2 4.22Å; T331-G333 PolarHBondContact O-N 3.3Å; T331-G334 CarbonylContact C-O 3.52Å; T331-Y335 HydrophobicContact CG2-CD1 3.94Å; T331-Y335 HydrophobicContact CG2-CE1 3.74Å
332	K	91.7	Very high	96.5	Very high	124 Å²	124	40.8 Å²	40.8	54%	0.539	24%	0.244	S	C	.	.	S	Bend	trans	-97.4	65.7	-172.1	-65.8	-173	-179.9	-176.5	0	112.9	E316 G334	E316-K332 WeakPolarHBondContact OE2-CE 2.99Å; E316-K332 IonicContact OE2-NZ 3.84Å; E316-K332 PolarHBondContact OE2-NZ 2.92Å; K332-G334 PolarHBondContact N-O 2.78Å
333	G	88.9	Confident	96.5	Very high	9 Å²	9	42.5 Å²	42.5	9%	0.093	25%	0.251	C	S	.	.	S	Bend	trans	89.5	65	-179	0	0	0	0	0	111.5	G152 E153 T331	G152-G333 CarbonylContact O-C 3.55Å; G152-G333 WeakPolarHBondContact O-CA 3.41Å; G152-G333 PolarHBondContact O-N 3.37Å; E153-G333 CarbonylContact O-C 3.49Å; E153-G333 VanDerWaalsContact O-C 3.24Å; E153-G333 WeakPolarHBondContact O-CA 3.16Å; T331-G333 PolarHBondContact O-N 3.3Å
334	G	94	Very high	96.6	Very high	13 Å²	13	48.7 Å²	48.7	13%	0.134	27%	0.268	C	S	.	.	S	Bend	trans	93.1	-176	-165.5	0	0	0	0	0	112	G152 E153 T331 K332	G152-G334 PolarHBondContact O-N 3.45Å; E153-G334 PolarHBondContact O-N 3.12Å; T331-G334 CarbonylContact C-O 3.52Å; K332-G334 PolarHBondContact N-O 2.78Å
335	Y	97.1	Very high	96.6	Very high	15 Å²	15	47.4 Å²	47.4	6%	0.059	26%	0.26	C	S	.	.			trans	-106.1	119.2	179	-58.8	-64.1	0	0	0	110.7	D269 Y275 Q300 W301 L318 L330 T331	D269-Y335 PolarHBondContact OD2-OH 2.78Å; Y275-Y335 VanDerWaalsContact CE2-OH 3.23Å; Y275-Y335 WeakPolarHBondContact CE2-OH 3.3Å; Y275-Y335 PolarHBondContact OH-OH 3.19Å; Q300-Y335 HydrophobicContact CG-CD2 3.69Å; Q300-Y335 HydrophobicContact CG-CE2 3.64Å; Q300-Y335 WeakPolarHBondContact O-CD2 3.44Å; W301-Y335 AromaticContact CD1-CD2 3.79Å; W301-Y335 AromaticContact CD1-CG 3.74Å; W301-Y335 HydrophobicContact CD2-CD2 4.46Å; W301-Y335 AromaticContact CE2-CD2 3.76Å; W301-Y335 AromaticContact CE2-CE2 3.77Å; W301-Y335 HydrophobicContact CG-CD2 4.45Å; W301-Y335 HydrophobicContact CZ2-CD2 4.21Å; W301-Y335 AromaticContact CZ2-CE2 3.74Å; W301-Y335 HydrophobicContact CZ2-CE2 3.74Å; W301-Y335 AromaticContact NE1-CD1 3.94Å; W301-Y335 AromaticContact NE1-CD2 3.31Å; W301-Y335 VanDerWaalsContact NE1-CD2 3.31Å; W301-Y335 AromaticContact NE1-CE2 3.61Å; W301-Y335 AromaticContact NE1-CG 3.47Å; L318-Y335 HydrophobicContact CD1-CD1 3.92Å; L318-Y335 HydrophobicContact CD1-CE1 3.46Å; L318-Y335 VanDerWaalsContact CD1-CE1 3.46Å; L330-Y335 WeakPolarHBondContact O-CA 3.45Å; T331-Y335 HydrophobicContact CG2-CD1 3.94Å; T331-Y335 HydrophobicContact CG2-CE1 3.74Å
336	T	96.7	Very high	96.4	Very high	85 Å²	85	47.6 Å²	47.6	52%	0.521	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122	178.6	-52.6	0	0	0	0	110	F329 L330 V338	F329-T336 CarbonylContact C-O 3.57Å; F329-T336 VanDerWaalsContact CA-O 3.27Å; F329-T336 WeakPolarHBondContact CA-O 3.24Å; L330-T336 PolarHBondContact N-O 3.35Å; L330-T336 PolarHBondContact O-N 3.18Å; L330-T336 VanDerWaalsContact O-N 3.1Å; T336-V338 PolarHBondContact O-N 3.11Å
337	L	98	Very high	96.3	Very high	32 Å²	32	54.6 Å²	54.6	17%	0.168	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	128.1	177.1	-175.7	67.5	0	0	0	109.8	Q303 Y327 F329	Q303-L337 HydrophobicContact CB-CD2 3.82Å; Y327-L337 HydrophobicContact CD1-CD1 4.2Å; F329-L337 HydrophobicContact CD1-CB 4.18Å; F329-L337 HydrophobicContact CE1-CB 3.83Å; F329-L337 HydrophobicContact CE1-CD1 4.05Å; F329-L337 HydrophobicContact CE2-CD1 4.18Å; F329-L337 HydrophobicContact CZ-CB 4.45Å; F329-L337 HydrophobicContact CZ-CD1 3.85Å
338	V	97.8	Very high	96.1	Very high	39 Å²	39	55 Å²	55	24%	0.236	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-68.5	134.4	174.6	176.1	0	0	0	0	108.9	V328 L330 T336 G340 Y341	V328-V338 HydrophobicContact CB-CB 4.41Å; V328-V338 HydrophobicContact CB-CG2 4.32Å; V328-V338 HydrophobicContact CG1-CB 4.46Å; V328-V338 HydrophobicContact CG1-CG2 3.89Å; V328-V338 WeakPolarHBondContact O-CG2 3.34Å; V328-V338 PolarHBondContact O-N 3.2Å; L330-V338 HydrophobicContact CD2-CG2 4.08Å; L330-V338 HydrophobicContact CG-CG2 3.91Å; T336-V338 PolarHBondContact O-N 3.11Å; V338-G340 PolarHBondContact O-N 2.95Å; V338-Y341 HydrophobicContact CB-CD2 3.71Å; V338-Y341 HydrophobicContact CB-CE2 3.96Å; V338-Y341 HydrophobicContact CG1-CD2 3.82Å; V338-Y341 HydrophobicContact CG1-CE2 3.72Å; V338-Y341 WeakPolarHBondContact O-CD2 3.47Å; V338-Y341 PolarHBondContact O-N 3.11Å
339	S	97.3	Very high	96	Very high	120 Å²	120	55.1 Å²	55.1	84%	0.839	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	135.3	178.4	-177.2	0	0	0	0	111.7
340	G	96.9	Very high	95.8	Very high	54 Å²	54	55.4 Å²	55.4	56%	0.557	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	6.8	-179.6	0	0	0	0	0	115.2	V338 K343	V338-G340 PolarHBondContact O-N 2.95Å; G340-K343 WeakPolarHBondContact O-CG 3.41Å
341	Y	98.1	Very high	95.7	Very high	32 Å²	32	54.9 Å²	54.9	13%	0.125	30%	0.299	C	S	.	.			trans	-99.2	151.6	166.7	-71.7	-93.3	0	0	0	110.8	V326 V328 V338 K343 E348	V326-Y341 WeakPolarHBondContact O-CD1 3.26Å; V328-Y341 HydrophobicContact CB-CD1 3.97Å; V328-Y341 HydrophobicContact CB-CD2 4.09Å; V328-Y341 HydrophobicContact CB-CE1 3.84Å; V328-Y341 HydrophobicContact CB-CE2 3.95Å; V328-Y341 HydrophobicContact CB-CG 4.08Å; V328-Y341 HydrophobicContact CG2-CD1 3.63Å; V328-Y341 HydrophobicContact CG2-CD2 4.49Å; V328-Y341 HydrophobicContact CG2-CE1 3.19Å; V328-Y341 HydrophobicContact CG2-CE2 4.13Å; V328-Y341 HydrophobicContact CG2-CG 4.26Å; V328-Y341 VanDerWaalsContact CG2-CZ 3.47Å; V338-Y341 HydrophobicContact CB-CD2 3.71Å; V338-Y341 HydrophobicContact CB-CE2 3.96Å; V338-Y341 HydrophobicContact CG1-CD2 3.82Å; V338-Y341 HydrophobicContact CG1-CE2 3.72Å; V338-Y341 WeakPolarHBondContact O-CD2 3.47Å; V338-Y341 PolarHBondContact O-N 3.11Å; Y341-K343 HydrophobicContact CD1-CB 4.19Å; Y341-K343 HydrophobicContact CD1-CD 4.19Å; Y341-K343 HydrophobicContact CD1-CG 3.92Å; Y341-K343 HydrophobicContact CE1-CB 4.21Å; Y341-K343 HydrophobicContact CE1-CD 3.73Å; Y341-K343 HydrophobicContact CE1-CG 3.97Å; Y341-K343 HydrophobicContact CE2-CD 4.47Å; Y341-K343 HydrophobicContact CG-CG 4.42Å; Y341-K343 PolarHBondContact OH-NZ 2.88Å; Y341-K343 VanDerWaalsContact OH-NZ 3.15Å; Y341-E348 WeakPolarHBondContact CE1-OE2 3.49Å; Y341-E348 PolarHBondContact OH-OE1 2.77Å; Y341-E348 PolarHBondContact OH-OE2 3.29Å
342	P	98.1	Very high	95.7	Very high	59 Å²	59	55 Å²	55	38%	0.383	30%	0.3	S	S	.	.			cis	-74.2	153.2	5.9	30.1	-35.7	0	0	0	114.7	Q325 V326 Y327	Q325-P342 HydrophobicContact CB-CB 4.26Å; V326-P342 CarbonylContact O-C 3.54Å; V326-P342 WeakPolarHBondContact O-CA 3.06Å; V326-P342 WeakPolarHBondContact O-CB 3.4Å; Y327-P342 HydrophobicContact CD1-CB 3.88Å; Y327-P342 HydrophobicContact CD1-CG 4.31Å; Y327-P342 HydrophobicContact CD2-CB 4.03Å; Y327-P342 HydrophobicContact CE1-CB 3.65Å; Y327-P342 HydrophobicContact CE1-CG 3.67Å; Y327-P342 HydrophobicContact CE2-CB 3.77Å; Y327-P342 HydrophobicContact CE2-CG 4.37Å; Y327-P342 HydrophobicContact CG-CB 4.07Å
343	K	97.8	Very high	95.7	Very high	79 Å²	79	58.2 Å²	58.2	34%	0.343	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	163.3	171	-65.9	-179.3	-169.8	163.4	0	110.1	Q325 V326 G340 Y341 E348	Q325-K343 CarbonylContact C-O 3.47Å; Q325-K343 WeakPolarHBondContact CA-O 3Å; V326-K343 PolarHBondContact N-O 2.91Å; V326-K343 PolarHBondContact O-N 2.78Å; G340-K343 WeakPolarHBondContact O-CG 3.41Å; Y341-K343 HydrophobicContact CD1-CB 4.19Å; Y341-K343 HydrophobicContact CD1-CD 4.19Å; Y341-K343 HydrophobicContact CD1-CG 3.92Å; Y341-K343 HydrophobicContact CE1-CB 4.21Å; Y341-K343 HydrophobicContact CE1-CD 3.73Å; Y341-K343 HydrophobicContact CE1-CG 3.97Å; Y341-K343 HydrophobicContact CE2-CD 4.47Å; Y341-K343 HydrophobicContact CG-CG 4.42Å; Y341-K343 PolarHBondContact OH-NZ 2.88Å; Y341-K343 VanDerWaalsContact OH-NZ 3.15Å; K343-E348 WeakPolarHBondContact CD-OE2 3.38Å; K343-E348 IonicContact NZ-OE2 2.74Å
344	R	96.4	Very high	95.8	Very high	148 Å²	148	61.7 Å²	61.7	56%	0.558	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	142.4	169	-72.3	-161	171.9	-164.1	-4.3	111.1	T324 E346 K347 E348	T324-R344 CarbonylContact O-C 3.33Å; T324-R344 WeakPolarHBondContact O-CA 3.34Å; R344-E346 VanDerWaalsContact C-N 3.27Å; R344-E346 HydrophobicContact CB-CG 4.01Å; R344-E346 WeakPolarHBondContact CD-OE1 3.47Å; R344-E346 IonicContact NH1-OE1 3.31Å; R344-E346 PolarHBondContact NH1-OE1 2.84Å; R344-E346 PolarHBondContact O-N 2.93Å; R344-K347 HydrophobicContact CB-CG 4.4Å; R344-K347 WeakPolarHBondContact O-CB 3.33Å; R344-K347 PolarHBondContact O-N 3.02Å; R344-E348 PolarHBondContact O-N 2.87Å
345	L	95.1	Very high	95.7	Very high	9 Å²	9	63.2 Å²	63.2	5%	0.047	36%	0.357	C	S	.	.	H	α-helix	trans	-51.1	-46.9	178.2	-174.1	71.2	0	0	0	111.6	T324 V326 K347 E348 V349 L357 V360 W393	T324-L345 PolarHBondContact O-N 2.84Å; V326-L345 HydrophobicContact CG2-CB 4.01Å; V326-L345 HydrophobicContact CG2-CD1 3.54Å; V326-L345 HydrophobicContact CG2-CG 4.41Å; L345-K347 PolarHBondContact O-N 3.5Å; L345-E348 PolarHBondContact O-N 2.92Å; L345-V349 HydrophobicContact CD1-CG2 3.5Å; L345-V349 VanDerWaalsContact CD1-CG2 3.5Å; L345-V349 HydrophobicContact CG-CG2 3.79Å; L345-V349 VanDerWaalsContact O-CG2 3.3Å; L345-V349 WeakPolarHBondContact O-CG2 3.48Å; L345-V349 PolarHBondContact O-N 2.93Å; L345-L357 HydrophobicContact CD2-CD1 4.41Å; L345-V360 HydrophobicContact CD2-CG2 3.51Å; L345-W393 HydrophobicContact CD2-CH2 4.2Å
346	E	94.3	Very high	95.4	Very high	91 Å²	91	69.6 Å²	69.6	43%	0.425	39%	0.39	S	S	.	.	H	α-helix	trans	-57.6	-32.5	177.6	69.8	-165.6	166.8	0	0	113.8	R344 G350	R344-E346 VanDerWaalsContact C-N 3.27Å; R344-E346 HydrophobicContact CB-CG 4.01Å; R344-E346 WeakPolarHBondContact CD-OE1 3.47Å; R344-E346 IonicContact NH1-OE1 3.31Å; R344-E346 PolarHBondContact NH1-OE1 2.84Å; R344-E346 PolarHBondContact O-N 2.93Å; E346-G350 WeakPolarHBondContact CA-O 3.4Å; E346-G350 VanDerWaalsContact O-CA 3.22Å; E346-G350 WeakPolarHBondContact O-CA 3.41Å; E346-G350 PolarHBondContact O-N 3.44Å; E346-G350 VanDerWaalsContact O-N 3.11Å
347	K	95.1	Very high	95.2	Very high	149 Å²	149	66.8 Å²	66.8	65%	0.648	37%	0.372	S	S	*	.	H	α-helix	trans	-81.7	-19	177.9	-66.9	-170.5	175.4	-175.3	0	112.9	R344 L345 A389	R344-K347 HydrophobicContact CB-CG 4.4Å; R344-K347 WeakPolarHBondContact O-CB 3.33Å; R344-K347 PolarHBondContact O-N 3.02Å; L345-K347 PolarHBondContact O-N 3.5Å; K347-A389 WeakPolarHBondContact O-CB 3.33Å
348	E	95.4	Very high	94.9	Very high	29 Å²	29	71.9 Å²	71.9	14%	0.136	40%	0.4	C	S	.	.	H	α-helix	trans	-94.2	-45.6	-178	-168.8	67.7	-176.5	0	0	111.4	V326 Y341 K343 R344 L345 G388 A389	V326-E348 HydrophobicContact CG1-CG 4.38Å; Y341-E348 WeakPolarHBondContact CE1-OE2 3.49Å; Y341-E348 PolarHBondContact OH-OE1 2.77Å; Y341-E348 PolarHBondContact OH-OE2 3.29Å; K343-E348 WeakPolarHBondContact CD-OE2 3.38Å; K343-E348 IonicContact NZ-OE2 2.74Å; R344-E348 PolarHBondContact O-N 2.87Å; L345-E348 PolarHBondContact O-N 2.92Å; E348-G388 CarbonylContact O-C 3.52Å; E348-G388 WeakPolarHBondContact O-CA 3.22Å; E348-A389 PolarHBondContact O-N 3.36Å
349	V	95.9	Very high	94.7	Very high	3 Å²	3	72.5 Å²	72.5	2%	0.018	41%	0.406	C	S	.	.	H	α-helix	trans	-131.8	9.6	-170.4	-66.7	0	0	0	0	113.6	L345 L372 I374 L383 L385 G388 W393	L345-V349 HydrophobicContact CD1-CG2 3.5Å; L345-V349 VanDerWaalsContact CD1-CG2 3.5Å; L345-V349 HydrophobicContact CG-CG2 3.79Å; L345-V349 VanDerWaalsContact O-CG2 3.3Å; L345-V349 WeakPolarHBondContact O-CG2 3.48Å; L345-V349 PolarHBondContact O-N 2.93Å; V349-L372 HydrophobicContact CG1-CD2 4.24Å; V349-I374 HydrophobicContact CG2-CD1 4.48Å; V349-L383 HydrophobicContact CB-CD1 3.78Å; V349-L383 HydrophobicContact CG1-CD1 4.22Å; V349-L385 HydrophobicContact CG1-CD2 3.98Å; V349-G388 CarbonylContact C-O 3.55Å; V349-G388 WeakPolarHBondContact CA-O 3.27Å; V349-W393 HydrophobicContact CG2-CZ2 3.94Å; V349-W393 PolarHBondContact O-NE1 3.03Å
350	G	94.7	Very high	94.7	Very high	7 Å²	7	67 Å²	67	7%	0.072	37%	0.367	C	S	.	.			trans	75.1	-167.1	-176.7	0	0	0	0	0	112.9	E346 A389 W393	E346-G350 WeakPolarHBondContact CA-O 3.4Å; E346-G350 VanDerWaalsContact O-CA 3.22Å; E346-G350 WeakPolarHBondContact O-CA 3.41Å; E346-G350 PolarHBondContact O-N 3.44Å; E346-G350 VanDerWaalsContact O-N 3.11Å; G350-A389 WeakPolarHBondContact CA-O 3.35Å; G350-W393 WeakPolarHBondContact O-CZ2 3.49Å
351	S	94.8	Very high	94.7	Very high	54 Å²	54	66.1 Å²	66.1	38%	0.378	35%	0.349	S	S	.	.			trans	-139.2	149.6	-177.1	-173	0	0	0	0	110.9	I355	S351-I355 PolarHBondContact OG-O 3.07Å
352	P	95.2	Very high	94.7	Very high	4 Å²	4	64.6 Å²	64.6	3%	0.026	34%	0.343	C	S	.	.			trans	-60.6	143.2	168.5	24.6	-32.6	0	0	0	111.6	G354 I355 L357 W381 W393	P352-G354 PolarHBondContact O-N 3.29Å; P352-I355 HydrophobicContact CB-CB 4.17Å; P352-I355 HydrophobicContact CB-CD1 4.45Å; P352-I355 HydrophobicContact CG-CB 3.89Å; P352-I355 HydrophobicContact CG-CG2 4.04Å; P352-I355 PolarHBondContact O-N 3.36Å; P352-L357 HydrophobicContact CG-CD1 3.9Å; P352-L357 HydrophobicContact CG-CD2 4.35Å; P352-L357 HydrophobicContact CG-CG 3.97Å; P352-W381 HydrophobicContact CB-CZ2 4.08Å; P352-W381 HydrophobicContact CG-CZ2 4.28Å; P352-W393 HydrophobicContact CB-CB 4.32Å; P352-W393 HydrophobicContact CB-CD2 4.43Å; P352-W393 HydrophobicContact CB-CE3 4.17Å; P352-W393 HydrophobicContact CG-CE3 4.08Å; P352-W393 HydrophobicContact CG-CZ3 4.3Å
353	H	91.8	Very high	94.7	Very high	192 Å²	192	61.9 Å²	61.9	89%	0.889	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	127.8	-176.2	-170.6	70.2	0	0	0	111.5	I355	H353-I355 PolarHBondContact O-N 2.92Å
354	G	91.1	Very high	94.8	Very high	81 Å²	81	58.3 Å²	58.3	84%	0.835	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	10.1	178.2	0	0	0	0	0	115.1	P352	P352-G354 PolarHBondContact O-N 3.29Å
355	I	92	Very high	94.9	Very high	45 Å²	45	52 Å²	52	23%	0.231	29%	0.288	C	S	.	.			trans	-125.7	126.5	-179.4	-62	172.2	0	0	0	108.7	S351 P352 H353 L357 W381	S351-I355 PolarHBondContact OG-O 3.07Å; P352-I355 HydrophobicContact CB-CB 4.17Å; P352-I355 HydrophobicContact CB-CD1 4.45Å; P352-I355 HydrophobicContact CG-CB 3.89Å; P352-I355 HydrophobicContact CG-CG2 4.04Å; P352-I355 PolarHBondContact O-N 3.36Å; H353-I355 PolarHBondContact O-N 2.92Å; I355-L357 HydrophobicContact CG2-CD2 3.89Å; I355-L357 HydrophobicContact CG2-CG 4.43Å; I355-W381 HydrophobicContact CD1-CZ2 3.85Å
356	I	90.7	Very high	94.9	Very high	149 Å²	149	52.6 Å²	52.6	76%	0.764	29%	0.293	S	S	*	.			trans	-97.9	122.1	170.7	-58.6	173.6	0	0	0	106.7
357	L	93.3	Very high	94.9	Very high	26 Å²	26	51 Å²	51	14%	0.136	29%	0.291	C	S	.	.			trans	-93.6	124.9	177.2	-63	176.5	0	0	0	109.3	T324 L345 P352 I355 A376 W381 W393	T324-L357 WeakPolarHBondContact CG2-O 3.14Å; L345-L357 HydrophobicContact CD2-CD1 4.41Å; P352-L357 HydrophobicContact CG-CD1 3.9Å; P352-L357 HydrophobicContact CG-CD2 4.35Å; P352-L357 HydrophobicContact CG-CG 3.97Å; I355-L357 HydrophobicContact CG2-CD2 3.89Å; I355-L357 HydrophobicContact CG2-CG 4.43Å; L357-A376 HydrophobicContact CD2-CB 3.96Å; L357-W381 HydrophobicContact CD2-CH2 4.21Å; L357-W381 HydrophobicContact CD2-CZ3 4.48Å; L357-W393 HydrophobicContact CD1-CH2 3.72Å; L357-W393 HydrophobicContact CD1-CZ3 3.71Å
358	D	90.8	Very high	94.8	Very high	140 Å²	140	48.5 Å²	48.5	75%	0.749	31%	0.308	S	S	*	.	S	Bend	trans	-88.5	-26.4	171.9	-65.1	-41.8	0	0	0	112
359	S	94.4	Very high	94.9	Very high	52 Å²	52	49 Å²	49	36%	0.364	31%	0.314	S	S	.	.			trans	-153.3	170.2	176.2	65.1	0	0	0	0	111.4
360	V	96.2	Very high	94.9	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.018	32%	0.319	C	S	.	.			trans	-124.4	140.2	171.8	173.4	0	0	0	0	107.8	D309 A310 L345 A362 I374 M375	D309-V360 WeakPolarHBondContact CB-O 3.22Å; A310-V360 HydrophobicContact CB-CB 4.45Å; A310-V360 HydrophobicContact CB-CG1 3.79Å; L345-V360 HydrophobicContact CD2-CG2 3.51Å; V360-A362 WeakPolarHBondContact CG1-O 3.16Å; V360-I374 HydrophobicContact CB-CG2 4.4Å; V360-I374 HydrophobicContact CG1-CG2 3.51Å; V360-I374 HydrophobicContact CG2-CG2 3.96Å; V360-M375 WeakPolarHBondContact CG1-O 3.38Å
361	D	97.9	Very high	95.1	Very high	36 Å²	36	55.6 Å²	55.6	19%	0.193	34%	0.339	C	S	.	.	S	Bend	trans	-96.8	-29.3	-176.6	-65.5	-26	0	0	0	113	D309 M375 G377 V403 D404	D309-D361 CarbonylContact O-C 3.57Å; D309-D361 VanDerWaalsContact O-O 3.06Å; D361-M375 PolarHBondContact N-O 2.89Å; D361-G377 PolarHBondContact OD2-N 3.47Å; D361-V403 HydrophobicContact CB-CG2 4.49Å; D361-V403 WeakPolarHBondContact CB-O 3.47Å; D361-D404 CarbonylContact O-C 3.56Å
362	A	98.4	Very high	95.3	Very high	0 Å²	0	53 Å²	53	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	158.1	176.5	0	0	0	0	0	111.5	V360 M375 V403 A406	V360-A362 WeakPolarHBondContact CG1-O 3.16Å; A362-M375 HydrophobicContact CB-CB 4.24Å; A362-M375 HydrophobicContact CB-CE 3.81Å; A362-M375 HydrophobicContact CB-SD 3.87Å; A362-M375 PolarHBondContact N-O 3.17Å; A362-M375 WeakPolarHBondContact O-CE 3.42Å; A362-M375 PolarHBondContact O-N 2.93Å; A362-V403 HydrophobicContact CB-CG2 3.68Å; A362-A406 HydrophobicContact CB-CB 3.81Å
363	A	98.4	Very high	95.5	Very high	3 Å²	3	53.4 Å²	53.4	3%	0.025	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	148.6	173.2	0	0	0	0	0	110.5	A310 A311 F312 L372 H373	A310-A363 HydrophobicContact CB-CB 3.96Å; A311-A363 VanDerWaalsContact O-O 3.09Å; F312-A363 HydrophobicContact CB-CB 4.43Å; F312-A363 HydrophobicContact CD1-CB 3.71Å; F312-A363 HydrophobicContact CE1-CB 4.44Å; F312-A363 HydrophobicContact CG-CB 4.44Å; A363-L372 HydrophobicContact CB-CD1 4.15Å; A363-H373 CarbonylContact C-O 3.57Å; A363-H373 WeakPolarHBondContact CA-O 3.43Å
364	F	98.3	Very high	95.8	Very high	3 Å²	3	44.4 Å²	44.4	1%	0.013	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	153	168.3	69.1	-90.6	0	0	0	112.2	H373 M375 A406 C408 L425 V439	F364-H373 HydrophobicContact CD1-CB 3.82Å; F364-H373 HydrophobicContact CD2-CB 4.18Å; F364-H373 HydrophobicContact CE1-CB 3.4Å; F364-H373 AromaticContact CE1-CG 3.98Å; F364-H373 HydrophobicContact CE2-CB 3.77Å; F364-H373 AromaticContact CE2-CG 3.57Å; F364-H373 AromaticContact CE2-ND1 3.49Å; F364-H373 WeakPolarHBondContact CE2-ND1 3.26Å; F364-H373 HydrophobicContact CG-CB 4.2Å; F364-H373 HydrophobicContact CZ-CB 3.37Å; F364-H373 AromaticContact CZ-CD2 3.84Å; F364-H373 AromaticContact CZ-CG 3.38Å; F364-H373 AromaticContact CZ-ND1 3.83Å; F364-H373 PolarHBondContact N-O 3.37Å; F364-H373 PolarHBondContact O-N 2.67Å; F364-M375 HydrophobicContact CD1-CE 3.59Å; F364-M375 HydrophobicContact CE1-CE 3.78Å; F364-M375 HydrophobicContact CE1-SD 4.34Å; F364-A406 HydrophobicContact CB-CB 4.2Å; F364-A406 HydrophobicContact CD1-CB 3.66Å; F364-A406 HydrophobicContact CG-CB 4.36Å; F364-C408 HydrophobicContact CB-CB 4.39Å; F364-C408 HydrophobicContact CD2-CB 3.69Å; F364-C408 HydrophobicContact CE2-CB 4.4Å; F364-C408 HydrophobicContact CG-CB 4.33Å; F364-L425 HydrophobicContact CD1-CD1 3.9Å; F364-L425 HydrophobicContact CD2-CD1 3.82Å; F364-L425 HydrophobicContact CE1-CD1 3.72Å; F364-L425 HydrophobicContact CE1-CD2 4.46Å; F364-L425 HydrophobicContact CE2-CD1 3.64Å; F364-L425 HydrophobicContact CE2-CD2 4.28Å; F364-L425 HydrophobicContact CG-CD1 3.95Å; F364-L425 HydrophobicContact CZ-CD1 3.59Å; F364-L425 HydrophobicContact CZ-CD2 3.87Å; F364-L425 HydrophobicContact CZ-CG 4.4Å; F364-V439 HydrophobicContact CE2-CG2 3.9Å; F364-V439 HydrophobicContact CZ-CG2 4.01Å
365	V	98.4	Very high	96.1	Very high	15 Å²	15	40.6 Å²	40.6	9%	0.091	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127	166.4	-179.1	0	0	0	0	106.3	F312 S313 S369 L372 L385	F312-V365 HydrophobicContact CB-CG2 4.3Å; F312-V365 HydrophobicContact CD2-CG2 3.68Å; F312-V365 HydrophobicContact CE2-CG2 4.4Å; F312-V365 HydrophobicContact CG-CG2 4.28Å; S313-V365 WeakPolarHBondContact O-CB 3.41Å; V365-S369 VanDerWaalsContact CG1-O 3.27Å; V365-S369 WeakPolarHBondContact CG1-O 3.31Å; V365-L372 HydrophobicContact CG2-CB 4.11Å; V365-L372 HydrophobicContact CG2-CD1 3.78Å; V365-L385 HydrophobicContact CG2-CD1 3.78Å
366	C	96.4	Very high	96.4	Very high	22 Å²	22	39.2 Å²	39.2	15%	0.149	24%	0.237	C	C	.	.			trans	-75.7	147.1	175	-72.3	0	0	0	0	111.3	G368 S369 C408	C366-G368 PolarHBondContact O-N 2.93Å; C366-S369 VanDerWaalsContact O-CB 3.23Å; C366-S369 WeakPolarHBondContact O-CB 3.3Å; C366-S369 PolarHBondContact O-N 2.9Å; C366-C408 WeakPolarHBondContact CA-SG 3.34Å; C366-C408 HydrophobicContact CB-CB 3.95Å; C366-C408 WeakPolarHBondContact CB-SG 3.38Å; C366-C408 WeakPolarHBondContact SG-CB 3.39Å; C366-C408 CovalentContact SG-SG 2.04Å; C366-C408 PolarHBondContact SG-SG 2.96Å
367	P	94.4	Very high	96.6	Very high	57 Å²	57	33.6 Å²	33.6	37%	0.37	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	134	179.2	-29.8	36.9	0	0	0	112.7	S369 E410 P423	P367-S369 PolarHBondContact O-N 2.84Å; P367-E410 HydrophobicContact CB-CG 3.98Å; P367-E410 HydrophobicContact CG-CG 3.86Å; P367-P423 HydrophobicContact CG-CB 4.26Å
368	G	92.9	Very high	96.7	Very high	98 Å²	98	41.7 Å²	41.7	100%	1.01	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.8	-1.6	-179	0	0	0	0	0	116	C366	C366-G368 PolarHBondContact O-N 2.93Å
369	S	96.4	Very high	97.1	Very high	39 Å²	39	39.7 Å²	39.7	27%	0.273	23%	0.227	S	C	.	.			trans	-100.7	154.7	179.6	-169.2	0	0	0	0	112.4	V365 C366 P367 R371	V365-S369 VanDerWaalsContact CG1-O 3.27Å; V365-S369 WeakPolarHBondContact CG1-O 3.31Å; C366-S369 VanDerWaalsContact O-CB 3.23Å; C366-S369 WeakPolarHBondContact O-CB 3.3Å; C366-S369 PolarHBondContact O-N 2.9Å; P367-S369 PolarHBondContact O-N 2.84Å; S369-R371 WeakPolarHBondContact OG-CB 3.42Å; S369-R371 PolarHBondContact OG-N 2.89Å
370	S	97.6	Very high	97.2	Very high	16 Å²	16	37.2 Å²	37.2	11%	0.112	21%	0.209	C	C	.	.			trans	-102	3.4	162.1	62	0	0	0	0	112.8	L372 D384 L385	S370-L372 PolarHBondContact O-N 3.12Å; S370-D384 WeakPolarHBondContact CB-OD1 3.5Å; S370-D384 PolarHBondContact OG-OD1 3.36Å; S370-L385 WeakPolarHBondContact O-CB 3.18Å; S370-L385 PolarHBondContact O-N 2.92Å
371	R	98.3	Very high	97.4	Very high	133 Å²	133	37.4 Å²	37.4	50%	0.502	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	105.6	178.3	-63.1	-175	179.5	174.8	-0.4	110.6	S369 H373 W382 L383	S369-R371 WeakPolarHBondContact OG-CB 3.42Å; S369-R371 PolarHBondContact OG-N 2.89Å; R371-H373 PolarHBondContact O-ND1 3.32Å; R371-W382 HydrophobicContact CB-CE3 4.34Å; R371-W382 HydrophobicContact CG-CE3 3.91Å; R371-W382 HydrophobicContact CG-CZ3 4.2Å; R371-L383 CarbonylContact C-O 3.58Å; R371-L383 VanDerWaalsContact CA-O 3.3Å; R371-L383 WeakPolarHBondContact CA-O 3.25Å
372	L	98.6	Very high	97.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	129	169.2	173.1	62.4	0	0	0	109.2	F312 V349 A363 V365 S370 I374 W382 L383 L385	F312-L372 HydrophobicContact CB-CD1 4.35Å; F312-L372 HydrophobicContact CD1-CD1 3.77Å; F312-L372 HydrophobicContact CD2-CD1 3.84Å; F312-L372 HydrophobicContact CE1-CD1 3.93Å; F312-L372 HydrophobicContact CE1-CD2 3.92Å; F312-L372 HydrophobicContact CE2-CD1 4Å; F312-L372 HydrophobicContact CE2-CD2 4.06Å; F312-L372 HydrophobicContact CG-CD1 3.72Å; F312-L372 HydrophobicContact CZ-CD1 4.04Å; F312-L372 HydrophobicContact CZ-CD2 3.62Å; F312-L372 HydrophobicContact CZ-CG 4.49Å; V349-L372 HydrophobicContact CG1-CD2 4.24Å; A363-L372 HydrophobicContact CB-CD1 4.15Å; V365-L372 HydrophobicContact CG2-CB 4.11Å; V365-L372 HydrophobicContact CG2-CD1 3.78Å; S370-L372 PolarHBondContact O-N 3.12Å; L372-I374 HydrophobicContact CD1-CG1 4.18Å; L372-I374 HydrophobicContact CD2-CD1 3.61Å; L372-I374 HydrophobicContact CD2-CG1 3.85Å; L372-I374 HydrophobicContact CG-CD1 4.03Å; L372-I374 HydrophobicContact CG-CG1 3.68Å; L372-W382 CarbonylContact O-C 3.55Å; L372-W382 VanDerWaalsContact O-CA 3.24Å; L372-W382 WeakPolarHBondContact O-CA 3.44Å; L372-L383 HydrophobicContact CB-CD2 4.38Å; L372-L383 HydrophobicContact CB-CG 4.14Å; L372-L383 HydrophobicContact CD2-CD1 4.38Å; L372-L383 HydrophobicContact CD2-CD2 4.24Å; L372-L383 HydrophobicContact CD2-CG 4.5Å; L372-L383 HydrophobicContact CG-CD2 4.26Å; L372-L383 PolarHBondContact N-O 3.26Å; L372-L383 PolarHBondContact O-N 2.93Å; L372-L385 HydrophobicContact CB-CD1 4.05Å; L372-L385 HydrophobicContact CB-CD2 4.01Å; L372-L385 HydrophobicContact CB-CG 3.77Å; L372-L385 HydrophobicContact CD2-CD2 3.81Å
373	H	98.7	Very high	97.4	Very high	12 Å²	12	38.8 Å²	38.8	6%	0.056	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	128.3	171.3	-63.2	73.2	0	0	0	108.8	A363 F364 R371 L380 W381	A363-H373 CarbonylContact C-O 3.57Å; A363-H373 WeakPolarHBondContact CA-O 3.43Å; F364-H373 HydrophobicContact CD1-CB 3.82Å; F364-H373 HydrophobicContact CD2-CB 4.18Å; F364-H373 HydrophobicContact CE1-CB 3.4Å; F364-H373 AromaticContact CE1-CG 3.98Å; F364-H373 HydrophobicContact CE2-CB 3.77Å; F364-H373 AromaticContact CE2-CG 3.57Å; F364-H373 AromaticContact CE2-ND1 3.49Å; F364-H373 WeakPolarHBondContact CE2-ND1 3.26Å; F364-H373 HydrophobicContact CG-CB 4.2Å; F364-H373 HydrophobicContact CZ-CB 3.37Å; F364-H373 AromaticContact CZ-CD2 3.84Å; F364-H373 AromaticContact CZ-CG 3.38Å; F364-H373 AromaticContact CZ-ND1 3.83Å; F364-H373 PolarHBondContact N-O 3.37Å; F364-H373 PolarHBondContact O-N 2.67Å; R371-H373 PolarHBondContact O-ND1 3.32Å; H373-L380 HydrophobicContact CB-CD1 4.16Å; H373-W381 CarbonylContact C-O 3.55Å; H373-W381 WeakPolarHBondContact CA-O 3.19Å
374	I	98.3	Very high	97.4	Very high	3 Å²	3	41 Å²	41	2%	0.015	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.4	-177.8	-58.4	-171.5	0	0	0	108.8	V349 V360 L372 W381 L383 W393	V349-I374 HydrophobicContact CG2-CD1 4.48Å; V360-I374 HydrophobicContact CB-CG2 4.4Å; V360-I374 HydrophobicContact CG1-CG2 3.51Å; V360-I374 HydrophobicContact CG2-CG2 3.96Å; L372-I374 HydrophobicContact CD1-CG1 4.18Å; L372-I374 HydrophobicContact CD2-CD1 3.61Å; L372-I374 HydrophobicContact CD2-CG1 3.85Å; L372-I374 HydrophobicContact CG-CD1 4.03Å; L372-I374 HydrophobicContact CG-CG1 3.68Å; I374-W381 PolarHBondContact N-O 3.47Å; I374-W381 PolarHBondContact O-N 3.13Å; I374-L383 HydrophobicContact CD1-CD2 3.76Å; I374-L383 HydrophobicContact CG1-CD2 4.03Å; I374-W393 HydrophobicContact CB-CH2 4.31Å; I374-W393 HydrophobicContact CB-CZ3 3.95Å; I374-W393 HydrophobicContact CD1-CH2 3.43Å; I374-W393 VanDerWaalsContact CD1-CH2 3.43Å; I374-W393 HydrophobicContact CD1-CZ2 3.85Å; I374-W393 HydrophobicContact CD1-CZ3 3.93Å; I374-W393 HydrophobicContact CG1-CH2 4.41Å; I374-W393 HydrophobicContact CG1-CZ3 4.45Å; I374-W393 HydrophobicContact CG2-CH2 4.08Å; I374-W393 HydrophobicContact CG2-CZ3 3.87Å
375	M	98.3	Very high	97.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.2	178.8	-65.7	130.8	-81.3	0	0	110.6	V360 D361 A362 F364 R379 L380 W398 V403 A406 L427	V360-M375 WeakPolarHBondContact CG1-O 3.38Å; D361-M375 PolarHBondContact N-O 2.89Å; A362-M375 HydrophobicContact CB-CB 4.24Å; A362-M375 HydrophobicContact CB-CE 3.81Å; A362-M375 HydrophobicContact CB-SD 3.87Å; A362-M375 PolarHBondContact N-O 3.17Å; A362-M375 WeakPolarHBondContact O-CE 3.42Å; A362-M375 PolarHBondContact O-N 2.93Å; F364-M375 HydrophobicContact CD1-CE 3.59Å; F364-M375 HydrophobicContact CE1-CE 3.78Å; F364-M375 HydrophobicContact CE1-SD 4.34Å; M375-R379 VanDerWaalsContact CA-O 3.31Å; M375-R379 WeakPolarHBondContact CA-O 3.32Å; M375-L380 HydrophobicContact CE-CD1 4.32Å; M375-L380 HydrophobicContact CG-CB 4.3Å; M375-L380 HydrophobicContact CG-CD1 3.57Å; M375-L380 HydrophobicContact SD-CD1 4.14Å; M375-W398 HydrophobicContact CB-CH2 4.12Å; M375-W398 HydrophobicContact CG-CH2 3.83Å; M375-W398 HydrophobicContact CG-CZ2 4.41Å; M375-W398 HydrophobicContact CG-CZ3 3.91Å; M375-W398 HydrophobicContact SD-CZ3 4.17Å; M375-V403 HydrophobicContact CB-CG2 3.92Å; M375-V403 HydrophobicContact CG-CG2 4.33Å; M375-V403 HydrophobicContact SD-CG2 4.09Å; M375-A406 HydrophobicContact CE-CB 3.95Å; M375-A406 HydrophobicContact SD-CB 4.21Å; M375-L427 HydrophobicContact SD-CD2 4.02Å
376	A	97.1	Very high	97.3	Very high	16 Å²	16	48.1 Å²	48.1	13%	0.132	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	118.8	170.7	0	0	0	0	0	109.7	L357 R378 R379 W381	L357-A376 HydrophobicContact CD2-CB 3.96Å; A376-R378 PolarHBondContact O-N 2.96Å; A376-R379 PolarHBondContact N-O 3.3Å; A376-R379 PolarHBondContact O-N 2.95Å; A376-R379 VanDerWaalsContact O-N 3.17Å; A376-W381 HydrophobicContact CB-CZ3 4.02Å
377	G	95.4	Very high	97.3	Very high	32 Å²	32	49.6 Å²	49.6	33%	0.33	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	-126.1	-168.2	0	0	0	0	0	111.3	D361 R379 E401	D361-G377 PolarHBondContact OD2-N 3.47Å; G377-R379 VanDerWaalsContact C-N 3.29Å; G377-R379 PolarHBondContact O-N 2.81Å; G377-E401 CarbonylContact C-O 3.19Å
378	R	96.3	Very high	97.4	Very high	195 Å²	195	48.1 Å²	48.1	74%	0.736	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	7.4	-179.2	71.6	179.3	70.4	119.2	1.8	114.6	A376 W398 E401	A376-R378 PolarHBondContact O-N 2.96Å; R378-W398 PolarHBondContact O-NE1 3.39Å; R378-E401 WeakPolarHBondContact CA-O 3.42Å; R378-E401 PolarHBondContact N-O 3.24Å
379	R	97.5	Very high	97.5	Very high	98 Å²	98	46.2 Å²	46.2	37%	0.37	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.6	-172.5	-61.5	-172.9	-179.1	-103	11.5	110.8	M375 A376 G377 W381 E395	M375-R379 VanDerWaalsContact CA-O 3.31Å; M375-R379 WeakPolarHBondContact CA-O 3.32Å; A376-R379 PolarHBondContact N-O 3.3Å; A376-R379 PolarHBondContact O-N 2.95Å; A376-R379 VanDerWaalsContact O-N 3.17Å; G377-R379 VanDerWaalsContact C-N 3.29Å; G377-R379 PolarHBondContact O-N 2.81Å; R379-W381 HydrophobicContact CB-CD2 4.46Å; R379-W381 HydrophobicContact CB-CE3 4.19Å; R379-W381 HydrophobicContact CB-CH2 3.27Å; R379-W381 HydrophobicContact CB-CZ2 3.56Å; R379-W381 HydrophobicContact CB-CZ3 3.59Å; R379-W381 VanDerWaalsContact CD-CH2 3.47Å; R379-W381 HydrophobicContact CG-CH2 4.01Å; R379-W381 HydrophobicContact CG-CZ2 4.08Å; R379-E395 WeakPolarHBondContact CG-OE1 3.29Å; R379-E395 IonicContact CZ-OE1 3.74Å; R379-E395 VanDerWaalsContact NH1-CD 3.28Å; R379-E395 IonicContact NH1-OE1 2.77Å; R379-E395 PolarHBondContact NH1-OE1 3.18Å; R379-E395 IonicContact NH1-OE2 2.99Å; R379-E395 PolarHBondContact NH1-OE2 3.45Å
380	L	98.3	Very high	97.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129	175	168.2	64.7	0	0	0	107.8	H373 M375 E395 L396 W398 L442	H373-L380 HydrophobicContact CB-CD1 4.16Å; M375-L380 HydrophobicContact CE-CD1 4.32Å; M375-L380 HydrophobicContact CG-CB 4.3Å; M375-L380 HydrophobicContact CG-CD1 3.57Å; M375-L380 HydrophobicContact SD-CD1 4.14Å; L380-E395 CarbonylContact O-C 3.57Å; L380-E395 WeakPolarHBondContact O-CA 3.23Å; L380-L396 HydrophobicContact CD2-CB 3.98Å; L380-L396 HydrophobicContact CD2-CD1 4.3Å; L380-L396 HydrophobicContact CG-CB 4.08Å; L380-L396 HydrophobicContact CG-CD1 4.41Å; L380-L396 PolarHBondContact O-N 2.9Å; L380-W398 HydrophobicContact CB-CD2 3.9Å; L380-W398 HydrophobicContact CB-CE3 4.48Å; L380-W398 HydrophobicContact CB-CG 3.93Å; L380-W398 HydrophobicContact CD2-CB 3.95Å; L380-W398 HydrophobicContact CD2-CD2 4.3Å; L380-W398 HydrophobicContact CD2-CE3 4.46Å; L380-W398 HydrophobicContact CD2-CG 4.07Å; L380-L442 HydrophobicContact CD2-CD2 3.82Å; L380-L442 HydrophobicContact CD2-CG 4.47Å
381	W	98.6	Very high	97.4	Very high	8 Å²	8	52.4 Å²	52.4	3%	0.03	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	155.2	172	-59.9	-91.1	0	0	0	110.9	P352 I355 L357 H373 I374 A376 R379 W393 T394	P352-W381 HydrophobicContact CB-CZ2 4.08Å; P352-W381 HydrophobicContact CG-CZ2 4.28Å; I355-W381 HydrophobicContact CD1-CZ2 3.85Å; L357-W381 HydrophobicContact CD2-CH2 4.21Å; L357-W381 HydrophobicContact CD2-CZ3 4.48Å; H373-W381 CarbonylContact C-O 3.55Å; H373-W381 WeakPolarHBondContact CA-O 3.19Å; I374-W381 PolarHBondContact N-O 3.47Å; I374-W381 PolarHBondContact O-N 3.13Å; A376-W381 HydrophobicContact CB-CZ3 4.02Å; R379-W381 HydrophobicContact CB-CD2 4.46Å; R379-W381 HydrophobicContact CB-CE3 4.19Å; R379-W381 HydrophobicContact CB-CH2 3.27Å; R379-W381 HydrophobicContact CB-CZ2 3.56Å; R379-W381 HydrophobicContact CB-CZ3 3.59Å; R379-W381 VanDerWaalsContact CD-CH2 3.47Å; R379-W381 HydrophobicContact CG-CH2 4.01Å; R379-W381 HydrophobicContact CG-CZ2 4.08Å; W381-W393 HydrophobicContact CB-CB 4.26Å; W381-W393 HydrophobicContact CB-CE3 3.8Å; W381-W393 AromaticContact CD2-CE3 3.97Å; W381-W393 HydrophobicContact CD2-CE3 3.97Å; W381-W393 HydrophobicContact CD2-CZ3 4.46Å; W381-W393 HydrophobicContact CE3-CE3 4.12Å; W381-W393 HydrophobicContact CE3-CZ3 4.15Å; W381-W393 HydrophobicContact CG-CB 4.27Å; W381-W393 AromaticContact CG-CE3 3.85Å; W381-W393 HydrophobicContact CG-CE3 3.85Å; W381-T394 CarbonylContact C-O 3.48Å; W381-T394 VanDerWaalsContact CA-O 3.24Å; W381-T394 WeakPolarHBondContact CA-O 3.18Å
382	W	98.4	Very high	97.3	Very high	65 Å²	65	51.4 Å²	51.4	25%	0.246	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	151.1	158.6	78.2	-85.7	0	0	0	111.3	R371 L372 T394 L396	R371-W382 HydrophobicContact CB-CE3 4.34Å; R371-W382 HydrophobicContact CG-CE3 3.91Å; R371-W382 HydrophobicContact CG-CZ3 4.2Å; L372-W382 CarbonylContact O-C 3.55Å; L372-W382 VanDerWaalsContact O-CA 3.24Å; L372-W382 WeakPolarHBondContact O-CA 3.44Å; W382-T394 PolarHBondContact N-O 2.71Å; W382-T394 VanDerWaalsContact NE1-CB 3.35Å; W382-T394 PolarHBondContact O-N 3.08Å; W382-L396 HydrophobicContact CB-CD1 4.24Å; W382-L396 HydrophobicContact CG-CD1 4.33Å
383	L	98.4	Very high	97.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	160.6	174	65.4	124.8	0	0	0	110.7	V349 R371 L372 I374 A391 W393	V349-L383 HydrophobicContact CB-CD1 3.78Å; V349-L383 HydrophobicContact CG1-CD1 4.22Å; R371-L383 CarbonylContact C-O 3.58Å; R371-L383 VanDerWaalsContact CA-O 3.3Å; R371-L383 WeakPolarHBondContact CA-O 3.25Å; L372-L383 HydrophobicContact CB-CD2 4.38Å; L372-L383 HydrophobicContact CB-CG 4.14Å; L372-L383 HydrophobicContact CD2-CD1 4.38Å; L372-L383 HydrophobicContact CD2-CD2 4.24Å; L372-L383 HydrophobicContact CD2-CG 4.5Å; L372-L383 HydrophobicContact CG-CD2 4.26Å; L372-L383 PolarHBondContact N-O 3.26Å; L372-L383 PolarHBondContact O-N 2.93Å; I374-L383 HydrophobicContact CD1-CD2 3.76Å; I374-L383 HydrophobicContact CG1-CD2 4.03Å; L383-A391 HydrophobicContact CB-CB 4.06Å; L383-A391 HydrophobicContact CD1-CB 3.62Å; L383-A391 HydrophobicContact CG-CB 4.49Å; L383-W393 HydrophobicContact CB-CG 4.46Å; L383-W393 HydrophobicContact CD2-CD2 3.89Å; L383-W393 HydrophobicContact CD2-CE3 4.34Å; L383-W393 HydrophobicContact CD2-CG 4.26Å; L383-W393 HydrophobicContact CD2-CZ2 4.15Å
384	D	98.3	Very high	97.3	Very high	49 Å²	49	54.7 Å²	54.7	26%	0.262	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	117.1	175.9	-167.2	-18.2	0	0	0	111	S370 K386 S387	S370-D384 WeakPolarHBondContact CB-OD1 3.5Å; S370-D384 PolarHBondContact OG-OD1 3.36Å; D384-K386 PolarHBondContact O-N 3.08Å; D384-K386 VanDerWaalsContact O-N 3.13Å; D384-K386 WeakPolarHBondContact OD1-CB 3.24Å; D384-K386 WeakPolarHBondContact OD1-CG 3.2Å; D384-K386 PolarHBondContact OD1-N 3.29Å; D384-S387 WeakPolarHBondContact O-CB 3.43Å; D384-S387 PolarHBondContact O-N 3.15Å
385	L	97.9	Very high	97.3	Very high	12 Å²	12	59.1 Å²	59.1	6%	0.063	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-57.5	-26	178.4	-76.4	170.3	0	0	0	113.5	F312 W314 V349 V365 S370 L372 S387 G388	F312-L385 HydrophobicContact CE2-CD1 4.14Å; F312-L385 HydrophobicContact CE2-CD2 4.11Å; F312-L385 HydrophobicContact CZ-CD2 4.42Å; W314-L385 HydrophobicContact CB-CD1 3.54Å; W314-L385 HydrophobicContact CD2-CB 3.81Å; W314-L385 HydrophobicContact CD2-CD1 3.48Å; W314-L385 VanDerWaalsContact CD2-CD1 3.48Å; W314-L385 HydrophobicContact CD2-CG 4.25Å; W314-L385 HydrophobicContact CE3-CB 3.75Å; W314-L385 HydrophobicContact CE3-CD1 3.86Å; W314-L385 HydrophobicContact CE3-CG 4.29Å; W314-L385 HydrophobicContact CG-CD1 3.32Å; W314-L385 HydrophobicContact CH2-CB 3.95Å; W314-L385 HydrophobicContact CZ2-CB 4Å; W314-L385 HydrophobicContact CZ3-CB 3.82Å; V349-L385 HydrophobicContact CG1-CD2 3.98Å; V365-L385 HydrophobicContact CG2-CD1 3.78Å; S370-L385 WeakPolarHBondContact O-CB 3.18Å; S370-L385 PolarHBondContact O-N 2.92Å; L372-L385 HydrophobicContact CB-CD1 4.05Å; L372-L385 HydrophobicContact CB-CD2 4.01Å; L372-L385 HydrophobicContact CB-CG 3.77Å; L372-L385 HydrophobicContact CD2-CD2 3.81Å; L385-S387 PolarHBondContact O-N 3.26Å; L385-G388 PolarHBondContact O-N 2.9Å
386	K	97.2	Very high	97.3	Very high	155 Å²	155	60.4 Å²	60.4	67%	0.674	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-64.6	-21.5	175.8	-65.2	174.9	-179.3	173.6	0	113	W314 D384	W314-K386 HydrophobicContact CH2-CG 4.2Å; W314-K386 HydrophobicContact CZ2-CG 3.94Å; D384-K386 PolarHBondContact O-N 3.08Å; D384-K386 VanDerWaalsContact O-N 3.13Å; D384-K386 WeakPolarHBondContact OD1-CB 3.24Å; D384-K386 WeakPolarHBondContact OD1-CG 3.2Å; D384-K386 PolarHBondContact OD1-N 3.29Å
387	S	97.3	Very high	97.3	Very high	54 Å²	54	63.9 Å²	63.9	38%	0.378	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-84.5	-11.4	180	-53.5	0	0	0	0	113.1	D384 L385 A389 Q390	D384-S387 WeakPolarHBondContact O-CB 3.43Å; D384-S387 PolarHBondContact O-N 3.15Å; L385-S387 PolarHBondContact O-N 3.26Å; S387-A389 PolarHBondContact O-N 2.01Å; S387-Q390 PolarHBondContact O-N 3.47Å
388	G	95	Very high	97.4	Very high	25 Å²	25	63.8 Å²	63.8	26%	0.258	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	50.7	-132.5	-178.8	0	0	0	0	0	112.7	E348 V349 L385 Q390 A391	E348-G388 CarbonylContact O-C 3.52Å; E348-G388 WeakPolarHBondContact O-CA 3.22Å; V349-G388 CarbonylContact C-O 3.55Å; V349-G388 WeakPolarHBondContact CA-O 3.27Å; L385-G388 PolarHBondContact O-N 2.9Å; G388-Q390 PolarHBondContact O-N 3.38Å; G388-Q390 VanDerWaalsContact O-N 3.08Å; G388-A391 VanDerWaalsContact O-CB 3.27Å; G388-A391 WeakPolarHBondContact O-CB 3.44Å; G388-A391 PolarHBondContact O-N 2.89Å; G388-A391 VanDerWaalsContact O-N 3.07Å
389	A	94.8	Very high	97.5	Very high	58 Å²	58	55.8 Å²	55.8	48%	0.479	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-61.4	-18	180	0	0	0	0	0	114.8	K347 E348 G350 S387 A391	K347-A389 WeakPolarHBondContact O-CB 3.33Å; E348-A389 PolarHBondContact O-N 3.36Å; G350-A389 WeakPolarHBondContact CA-O 3.35Å; S387-A389 PolarHBondContact O-N 2.01Å; A389-A391 VanDerWaalsContact C-N 3.32Å
390	Q	96.1	Very high	97.5	Very high	177 Å²	177	51.7 Å²	51.7	83%	0.827	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-92.2	6.7	179.8	-62.9	174.7	-24.3	0	0	112.4	S387 G388 T392	S387-Q390 PolarHBondContact O-N 3.47Å; G388-Q390 PolarHBondContact O-N 3.38Å; G388-Q390 VanDerWaalsContact O-N 3.08Å; Q390-T392 PolarHBondContact O-N 3.2Å
391	A	96.6	Very high	97.4	Very high	8 Å²	8	59.8 Å²	59.8	7%	0.066	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-64.5	133.8	-176.6	0	0	0	0	0	112	L383 G388 A389	L383-A391 HydrophobicContact CB-CB 4.06Å; L383-A391 HydrophobicContact CD1-CB 3.62Å; L383-A391 HydrophobicContact CG-CB 4.49Å; G388-A391 VanDerWaalsContact O-CB 3.27Å; G388-A391 WeakPolarHBondContact O-CB 3.44Å; G388-A391 PolarHBondContact O-N 2.89Å; G388-A391 VanDerWaalsContact O-N 3.07Å; A389-A391 VanDerWaalsContact C-N 3.32Å
392	T	97.2	Very high	97.3	Very high	113 Å²	113	64 Å²	64	69%	0.693	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-87.1	121	172.6	-55.6	0	0	0	0	109.7	Q390	Q390-T392 PolarHBondContact O-N 3.2Å
393	W	98.1	Very high	97.2	Very high	23 Å²	23	61 Å²	61	9%	0.087	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-86.1	118.2	178.8	-68.4	45.8	0	0	0	109.8	L345 V349 G350 P352 L357 I374 W381 L383	L345-W393 HydrophobicContact CD2-CH2 4.2Å; V349-W393 HydrophobicContact CG2-CZ2 3.94Å; V349-W393 PolarHBondContact O-NE1 3.03Å; G350-W393 WeakPolarHBondContact O-CZ2 3.49Å; P352-W393 HydrophobicContact CB-CB 4.32Å; P352-W393 HydrophobicContact CB-CD2 4.43Å; P352-W393 HydrophobicContact CB-CE3 4.17Å; P352-W393 HydrophobicContact CG-CE3 4.08Å; P352-W393 HydrophobicContact CG-CZ3 4.3Å; L357-W393 HydrophobicContact CD1-CH2 3.72Å; L357-W393 HydrophobicContact CD1-CZ3 3.71Å; I374-W393 HydrophobicContact CB-CH2 4.31Å; I374-W393 HydrophobicContact CB-CZ3 3.95Å; I374-W393 HydrophobicContact CD1-CH2 3.43Å; I374-W393 VanDerWaalsContact CD1-CH2 3.43Å; I374-W393 HydrophobicContact CD1-CZ2 3.85Å; I374-W393 HydrophobicContact CD1-CZ3 3.93Å; I374-W393 HydrophobicContact CG1-CH2 4.41Å; I374-W393 HydrophobicContact CG1-CZ3 4.45Å; I374-W393 HydrophobicContact CG2-CH2 4.08Å; I374-W393 HydrophobicContact CG2-CZ3 3.87Å; W381-W393 HydrophobicContact CB-CB 4.26Å; W381-W393 HydrophobicContact CB-CE3 3.8Å; W381-W393 AromaticContact CD2-CE3 3.97Å; W381-W393 HydrophobicContact CD2-CE3 3.97Å; W381-W393 HydrophobicContact CD2-CZ3 4.46Å; W381-W393 HydrophobicContact CE3-CE3 4.12Å; W381-W393 HydrophobicContact CE3-CZ3 4.15Å; W381-W393 HydrophobicContact CG-CB 4.27Å; W381-W393 AromaticContact CG-CE3 3.85Å; W381-W393 HydrophobicContact CG-CE3 3.85Å; L383-W393 HydrophobicContact CB-CG 4.46Å; L383-W393 HydrophobicContact CD2-CD2 3.89Å; L383-W393 HydrophobicContact CD2-CE3 4.34Å; L383-W393 HydrophobicContact CD2-CG 4.26Å; L383-W393 HydrophobicContact CD2-CZ2 4.15Å
394	T	98.2	Very high	97.2	Very high	58 Å²	58	62 Å²	62	36%	0.356	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	118.6	-179.8	-57.1	0	0	0	0	109.8	W381 W382	W381-T394 CarbonylContact C-O 3.48Å; W381-T394 VanDerWaalsContact CA-O 3.24Å; W381-T394 WeakPolarHBondContact CA-O 3.18Å; W382-T394 PolarHBondContact N-O 2.71Å; W382-T394 VanDerWaalsContact NE1-CB 3.35Å; W382-T394 PolarHBondContact O-N 3.08Å
395	E	98.2	Very high	97.2	Very high	96 Å²	96	59.7 Å²	59.7	45%	0.449	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	138.9	-179.5	-168.3	165	-166.8	0	0	111.1	R379 L380	R379-E395 WeakPolarHBondContact CG-OE1 3.29Å; R379-E395 IonicContact CZ-OE1 3.74Å; R379-E395 VanDerWaalsContact NH1-CD 3.28Å; R379-E395 IonicContact NH1-OE1 2.77Å; R379-E395 PolarHBondContact NH1-OE1 3.18Å; R379-E395 IonicContact NH1-OE2 2.99Å; R379-E395 PolarHBondContact NH1-OE2 3.45Å; L380-E395 CarbonylContact O-C 3.57Å; L380-E395 WeakPolarHBondContact O-CA 3.23Å
396	L	98.1	Very high	97.2	Very high	27 Å²	27	59.2 Å²	59.2	14%	0.141	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	144.4	178.4	-60.6	177.2	0	0	0	110.4	L380 W382 V439	L380-L396 HydrophobicContact CD2-CB 3.98Å; L380-L396 HydrophobicContact CD2-CD1 4.3Å; L380-L396 HydrophobicContact CG-CB 4.08Å; L380-L396 HydrophobicContact CG-CD1 4.41Å; L380-L396 PolarHBondContact O-N 2.9Å; W382-L396 HydrophobicContact CB-CD1 4.24Å; W382-L396 HydrophobicContact CG-CD1 4.33Å; L396-V439 HydrophobicContact CD1-CG1 4.26Å
397	P	97.8	Very high	97.2	Very high	88 Å²	88	52.3 Å²	52.3	57%	0.571	29%	0.289	S	S	*	.			trans	-70.8	149.5	169	32.3	-34.2	0	0	0	110.1	N443	P397-N443 HydrophobicContact CG-CB 4.3Å; P397-N443 VanDerWaalsContact O-CA 3.25Å; P397-N443 WeakPolarHBondContact O-CA 3.38Å; P397-N443 PolarHBondContact O-OD1 3.35Å
398	W	98.1	Very high	97.2	Very high	30 Å²	30	50.1 Å²	50.1	11%	0.114	27%	0.273	C	S	.	.			trans	-164.9	159.2	175.5	69.1	-39.7	0	0	0	109.5	M375 R378 L380 H400 V403 L427 L442	M375-W398 HydrophobicContact CB-CH2 4.12Å; M375-W398 HydrophobicContact CG-CH2 3.83Å; M375-W398 HydrophobicContact CG-CZ2 4.41Å; M375-W398 HydrophobicContact CG-CZ3 3.91Å; M375-W398 HydrophobicContact SD-CZ3 4.17Å; R378-W398 PolarHBondContact O-NE1 3.39Å; L380-W398 HydrophobicContact CB-CD2 3.9Å; L380-W398 HydrophobicContact CB-CE3 4.48Å; L380-W398 HydrophobicContact CB-CG 3.93Å; L380-W398 HydrophobicContact CD2-CB 3.95Å; L380-W398 HydrophobicContact CD2-CD2 4.3Å; L380-W398 HydrophobicContact CD2-CE3 4.46Å; L380-W398 HydrophobicContact CD2-CG 4.07Å; W398-H400 HydrophobicContact CD2-CB 4.03Å; W398-H400 HydrophobicContact CE3-CB 3.68Å; W398-H400 AromaticContact CE3-CD2 3.65Å; W398-H400 AromaticContact CE3-CG 4Å; W398-H400 HydrophobicContact CH2-CB 3.78Å; W398-H400 HydrophobicContact CZ2-CB 4.13Å; W398-H400 HydrophobicContact CZ3-CB 3.56Å; W398-H400 AromaticContact CZ3-CG 4Å; W398-H400 PolarHBondContact O-N 2.66Å; W398-V403 HydrophobicContact CH2-CB 4.43Å; W398-V403 HydrophobicContact CH2-CG1 3.77Å; W398-V403 HydrophobicContact CH2-CG2 3.89Å; W398-V403 HydrophobicContact CZ3-CG1 3.59Å; W398-V403 HydrophobicContact CZ3-CG2 4.22Å; W398-L427 HydrophobicContact CE3-CD1 4.3Å; W398-L427 HydrophobicContact CZ3-CD1 4.18Å; W398-L442 HydrophobicContact CB-CD1 4.18Å; W398-L442 HydrophobicContact CB-CG 4.2Å; W398-L442 HydrophobicContact CE3-CD1 4.45Å
399	P	97.7	Very high	97.1	Very high	27 Å²	27	49.6 Å²	49.6	18%	0.175	27%	0.265	C	S	.	.	S	Bend	trans	-91.7	12	-170.7	37.6	-40.2	0	0	0	114.9	Y436 L442 A445 P448	P399-Y436 WeakPolarHBondContact CG-OH 3.07Å; P399-L442 WeakPolarHBondContact CD-O 3.07Å; P399-A445 HydrophobicContact CB-CB 4.46Å; P399-A445 HydrophobicContact CG-CB 3.83Å; P399-P448 HydrophobicContact CB-CG 4.38Å; P399-P448 HydrophobicContact CG-CG 4.49Å
400	H	98	Very high	96.9	Very high	13 Å²	13	53.9 Å²	53.9	6%	0.06	28%	0.275	C	S	.	.			trans	-107.5	142.1	-175.4	-61.8	-90.5	0	0	0	111.6	W398 V403 Y434 Y436	W398-H400 HydrophobicContact CD2-CB 4.03Å; W398-H400 HydrophobicContact CE3-CB 3.68Å; W398-H400 AromaticContact CE3-CD2 3.65Å; W398-H400 AromaticContact CE3-CG 4Å; W398-H400 HydrophobicContact CH2-CB 3.78Å; W398-H400 HydrophobicContact CZ2-CB 4.13Å; W398-H400 HydrophobicContact CZ3-CB 3.56Å; W398-H400 AromaticContact CZ3-CG 4Å; W398-H400 PolarHBondContact O-N 2.66Å; H400-V403 HydrophobicContact CB-CG1 4.27Å; H400-Y434 AromaticContact CE1-CD2 3.8Å; H400-Y434 AromaticContact CE1-CG 3.78Å; H400-Y436 AromaticContact NE2-CE2 3.67Å; H400-Y436 AromaticContact NE2-CZ 3.6Å; H400-Y436 PolarHBondContact NE2-OH 3.03Å
401	E	95.8	Very high	96.3	Very high	169 Å²	169	53.2 Å²	53.2	79%	0.79	27%	0.269	S	S	*	.	S	Bend	trans	-91.5	-24.4	173.5	-62.5	-171.4	165.8	0	0	112.8	G377 R378	G377-E401 CarbonylContact C-O 3.19Å; R378-E401 WeakPolarHBondContact CA-O 3.42Å; R378-E401 PolarHBondContact N-O 3.24Å
402	K	95.8	Very high	95.7	Very high	98 Å²	98	54.7 Å²	54.7	43%	0.426	28%	0.279	S	S	.	.			trans	-159.6	148.9	179.4	-175.8	173.3	179.4	-172.5	0	110.2	D404	K402-D404 IonicContact NZ-OD1 3.94Å
403	V	97.9	Very high	94.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.			trans	-135.2	161.6	167.3	-66.2	0	0	0	0	109.3	D361 A362 M375 W398 H400 L427 I428	D361-V403 HydrophobicContact CB-CG2 4.49Å; D361-V403 WeakPolarHBondContact CB-O 3.47Å; A362-V403 HydrophobicContact CB-CG2 3.68Å; M375-V403 HydrophobicContact CB-CG2 3.92Å; M375-V403 HydrophobicContact CG-CG2 4.33Å; M375-V403 HydrophobicContact SD-CG2 4.09Å; W398-V403 HydrophobicContact CH2-CB 4.43Å; W398-V403 HydrophobicContact CH2-CG1 3.77Å; W398-V403 HydrophobicContact CH2-CG2 3.89Å; W398-V403 HydrophobicContact CZ3-CG1 3.59Å; W398-V403 HydrophobicContact CZ3-CG2 4.22Å; H400-V403 HydrophobicContact CB-CG1 4.27Å; V403-L427 HydrophobicContact CG1-CB 4.25Å; V403-L427 HydrophobicContact CG1-CD1 4.35Å; V403-I428 CarbonylContact C-O 3.58Å; V403-I428 WeakPolarHBondContact CA-O 3.08Å
404	D	97.9	Very high	93.7	Very high	23 Å²	23	50.5 Å²	50.5	12%	0.123	26%	0.263	C	S	.	.	S	Bend	trans	-114.1	3.2	174.7	-52.9	-41.7	0	0	0	112.1	L263 S264 D361 K402 I428 H429 G430	L263-D404 WeakPolarHBondContact O-CB 3.47Å; S264-D404 CarbonylContact C-O 3.37Å; S264-D404 VanDerWaalsContact CA-O 3.27Å; S264-D404 WeakPolarHBondContact CA-O 2.94Å; D361-D404 CarbonylContact O-C 3.56Å; K402-D404 IonicContact NZ-OD1 3.94Å; D404-I428 PolarHBondContact N-O 2.91Å; D404-H429 IonicContact OD1-CD2 3.74Å; D404-H429 WeakPolarHBondContact OD2-CA 3.12Å; D404-H429 IonicContact OD2-CD2 3.5Å; D404-G430 PolarHBondContact OD2-N 3.46Å
405	G	97.9	Very high	92.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167	157.8	-179	0	0	0	0	0	112.9	I428	G405-I428 WeakPolarHBondContact O-CG1 3.48Å; G405-I428 PolarHBondContact O-N 2.91Å
406	A	98.2	Very high	91	Very high	2 Å²	2	52.6 Å²	52.6	2%	0.017	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	151.7	-178.5	0	0	0	0	0	111.3	A362 F364 M375 Y426 L427	A362-A406 HydrophobicContact CB-CB 3.81Å; F364-A406 HydrophobicContact CB-CB 4.2Å; F364-A406 HydrophobicContact CD1-CB 3.66Å; F364-A406 HydrophobicContact CG-CB 4.36Å; M375-A406 HydrophobicContact CE-CB 3.95Å; M375-A406 HydrophobicContact SD-CB 4.21Å; A406-Y426 CarbonylContact C-O 3.56Å; A406-Y426 VanDerWaalsContact CA-O 3.27Å; A406-Y426 WeakPolarHBondContact CA-O 3.33Å; A406-L427 HydrophobicContact CB-CD2 3.45Å; A406-L427 VanDerWaalsContact CB-CD2 3.45Å
407	L	97.5	Very high	90.1	Very high	10 Å²	10	54.3 Å²	54.3	5%	0.052	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	134.4	174.8	-177.7	62.5	0	0	0	110.5	L266 T274 V409 L413 Y426	L266-L407 HydrophobicContact CB-CB 3.78Å; L266-L407 HydrophobicContact CB-CD2 4.38Å; L266-L407 HydrophobicContact CD1-CB 4.09Å; T274-L407 HydrophobicContact CG2-CD2 3.92Å; L407-V409 HydrophobicContact CD1-CG1 3.71Å; L407-V409 HydrophobicContact CD2-CG1 3.89Å; L407-V409 HydrophobicContact CD2-CG2 4.04Å; L407-V409 HydrophobicContact CG-CB 4.49Å; L407-V409 HydrophobicContact CG-CG1 3.68Å; L407-V409 HydrophobicContact CG-CG2 4.09Å; L407-L413 HydrophobicContact CD2-CD1 3.96Å; L407-L413 HydrophobicContact CD2-CD2 4.1Å; L407-Y426 PolarHBondContact N-O 2.86Å; L407-Y426 PolarHBondContact O-N 3.06Å
408	C	96.4	Very high	89.4	Confident	8 Å²	8	52.2 Å²	52.2	5%	0.054	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116.7	171.1	-169.5	0	0	0	0	109.3	F364 C366 G424 L425	F364-C408 HydrophobicContact CB-CB 4.39Å; F364-C408 HydrophobicContact CD2-CB 3.69Å; F364-C408 HydrophobicContact CE2-CB 4.4Å; F364-C408 HydrophobicContact CG-CB 4.33Å; C366-C408 WeakPolarHBondContact CA-SG 3.34Å; C366-C408 HydrophobicContact CB-CB 3.95Å; C366-C408 WeakPolarHBondContact CB-SG 3.38Å; C366-C408 WeakPolarHBondContact SG-CB 3.39Å; C366-C408 CovalentContact SG-SG 2.04Å; C366-C408 PolarHBondContact SG-SG 2.96Å; C408-G424 WeakPolarHBondContact CA-O 3.35Å; C408-L425 HydrophobicContact CB-CD1 4.11Å
409	V	93.8	Very high	88.7	Confident	13 Å²	13	51.7 Å²	51.7	8%	0.079	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	146.3	-172.2	-77	0	0	0	0	111.7	L407 K411 P423 G424 Y426	L407-V409 HydrophobicContact CD1-CG1 3.71Å; L407-V409 HydrophobicContact CD2-CG1 3.89Å; L407-V409 HydrophobicContact CD2-CG2 4.04Å; L407-V409 HydrophobicContact CG-CB 4.49Å; L407-V409 HydrophobicContact CG-CG1 3.68Å; L407-V409 HydrophobicContact CG-CG2 4.09Å; V409-K411 WeakPolarHBondContact CG2-O 3.26Å; V409-P423 CarbonylContact O-C 3.24Å; V409-P423 WeakPolarHBondContact O-CA 3.26Å; V409-P423 WeakPolarHBondContact O-CB 3.19Å; V409-G424 PolarHBondContact N-O 2.96Å; V409-G424 PolarHBondContact O-N 3.38Å; V409-Y426 HydrophobicContact CG2-CD2 4.13Å; V409-Y426 HydrophobicContact CG2-CE2 3.89Å
410	E	88.7	Confident	87.6	Confident	149 Å²	149	55 Å²	55	70%	0.696	31%	0.312	S	S	*	.	S	Bend	trans	-69.1	-42.9	175	-63.7	-170.8	163.6	0	0	112.2	P367 P423	P367-E410 HydrophobicContact CB-CG 3.98Å; P367-E410 HydrophobicContact CG-CG 3.86Å; E410-P423 HydrophobicContact CG-CB 4.47Å
411	K	85.1	Confident	86.3	Confident	163 Å²	163	62.1 Å²	62.1	71%	0.709	35%	0.351	S	S	*	.	S	Bend	trans	-78.7	127.7	178	-170.2	178.3	178.3	-174.2	0	109.1	V409 L413	V409-K411 WeakPolarHBondContact CG2-O 3.26Å; K411-L413 PolarHBondContact O-N 2.78Å
412	S	82.8	Confident	85.5	Confident	39 Å²	39	55.8 Å²	55.8	27%	0.273	33%	0.331	S	S	.	.			trans	-50.4	132.1	176.7	-179.7	0	0	0	0	112	G414 N416 S417 Y426	S412-G414 PolarHBondContact OG-O 2.66Å; S412-G414 VanDerWaalsContact OG-O 3.11Å; S412-N416 PolarHBondContact OG-O 2.95Å; S412-S417 WeakPolarHBondContact OG-CA 3.48Å; S412-S417 PolarHBondContact OG-N 3.15Å; S412-Y426 WeakPolarHBondContact CA-OH 3.34Å; S412-Y426 PolarHBondContact OG-OH 3.3Å
413	L	81.5	Confident	85.1	Confident	11 Å²	11	52.9 Å²	52.9	6%	0.058	32%	0.322	C	S	.	.	S	Bend	trans	-85.7	111.9	169	-159.3	72.6	0	0	0	108.7	L266 T274 L285 L407 K411 Y426 L457	L266-L413 HydrophobicContact CD1-CD2 4.19Å; T274-L413 HydrophobicContact CG2-CD1 3.81Å; L285-L413 HydrophobicContact CD1-CD1 3.92Å; L407-L413 HydrophobicContact CD2-CD1 3.96Å; L407-L413 HydrophobicContact CD2-CD2 4.1Å; K411-L413 PolarHBondContact O-N 2.78Å; L413-Y426 HydrophobicContact CB-CD1 4.03Å; L413-Y426 HydrophobicContact CB-CD2 3.97Å; L413-Y426 HydrophobicContact CB-CE1 3.73Å; L413-Y426 HydrophobicContact CB-CE2 3.71Å; L413-Y426 HydrophobicContact CB-CG 4.14Å; L413-Y426 HydrophobicContact CD2-CD1 4.39Å; L413-Y426 HydrophobicContact CD2-CG 4.18Å; L413-Y426 PolarHBondContact N-OH 2.86Å; L413-L457 HydrophobicContact CB-CD2 4.36Å; L413-L457 HydrophobicContact CD2-CD1 3.69Å; L413-L457 HydrophobicContact CD2-CD2 3.9Å; L413-L457 HydrophobicContact CD2-CG 4.42Å; L413-L457 HydrophobicContact CG-CD1 4.35Å; L413-L457 HydrophobicContact CG-CD2 3.7Å
414	G	73.3	Confident	84.8	Confident	36 Å²	36	53 Å²	53	37%	0.371	32%	0.322	S	S	.	.	S	Bend	trans	79	-168.9	-172.4	0	0	0	0	0	113.5	S412 N416	S412-G414 PolarHBondContact OG-O 2.66Å; S412-G414 VanDerWaalsContact OG-O 3.11Å; G414-N416 VanDerWaalsContact C-N 3.33Å; G414-N416 PolarHBondContact O-N 3.3Å
415	P	66.4	Low	84.7	Confident	102 Å²	102	51.9 Å²	51.9	66%	0.662	32%	0.317	S	S	*	.	S	Bend	trans	-71.9	-22.1	-167.4	27.1	-34.2	0	0	0	114.5
416	N	72.1	Confident	84.7	Confident	96 Å²	96	51.9 Å²	51.9	51%	0.513	32%	0.317	S	S	.	.			trans	-124.3	123.9	-171.2	-62.6	-29.7	0	0	0	111.7	S412 G414	S412-N416 PolarHBondContact OG-O 2.95Å; G414-N416 VanDerWaalsContact C-N 3.33Å; G414-N416 PolarHBondContact O-N 3.3Å
417	S	79.2	Confident	84.7	Confident	63 Å²	63	51.8 Å²	51.8	44%	0.441	32%	0.316	S	S	.	.			trans	-81.5	139.1	167.6	-174.8	0	0	0	0	110.1	S412 S419	S412-S417 WeakPolarHBondContact OG-CA 3.48Å; S412-S417 PolarHBondContact OG-N 3.15Å; S417-S419 PolarHBondContact OG-N 3.19Å; S417-S419 VanDerWaalsContact OG-N 3.12Å; S417-S419 PolarHBondContact OG-O 3.38Å
418	C	82.5	Confident	84.6	Confident	44 Å²	44	51.4 Å²	51.4	30%	0.297	31%	0.314	S	S	.	.	S	Bend	trans	-95.2	-0.2	168	61.2	0	0	0	0	113.6	C435 Y436	C418-C435 HydrophobicContact CB-CB 3.52Å; C418-C435 WeakPolarHBondContact CB-SG 3.31Å; C418-C435 WeakPolarHBondContact SG-CB 3.43Å; C418-C435 CovalentContact SG-SG 2.01Å; C418-C435 PolarHBondContact SG-SG 2.83Å; C418-Y436 PolarHBondContact SG-N 3.25Å; C418-Y436 PolarHBondContact SG-O 3.12Å
419	S	83.4	Confident	84.7	Confident	19 Å²	19	54.2 Å²	54.2	13%	0.133	33%	0.326	C	S	.	.			trans	-116.2	129.4	174.1	-164.1	0	0	0	0	110	S417 G422 P423 S437	S417-S419 PolarHBondContact OG-N 3.19Å; S417-S419 VanDerWaalsContact OG-N 3.12Å; S417-S419 PolarHBondContact OG-O 3.38Å; S419-G422 WeakPolarHBondContact CB-O 3.27Å; S419-G422 PolarHBondContact OG-N 3.03Å; S419-G422 PolarHBondContact OG-O 2.82Å; S419-P423 WeakPolarHBondContact CB-O 3.41Å; S419-S437 PolarHBondContact OG-O 3.29Å
420	A	75.7	Confident	84.7	Confident	96 Å²	96	54.3 Å²	54.3	79%	0.793	33%	0.33	S	S	*	.	S	Bend	trans	-82.8	-33.7	176.7	0	0	0	0	0	112.2
421	N	70.1	Confident	84.9	Confident	164 Å²	164	50.5 Å²	50.5	88%	0.877	32%	0.318	S	S	*	.	S	Bend	trans	-137.7	40.2	-168.3	-67.5	-29.7	0	0	0	112.6
422	G	78.9	Confident	85.4	Confident	36 Å²	36	45.3 Å²	45.3	37%	0.371	30%	0.298	S	S	.	.	S	Bend	trans	175.8	-173	-179	0	0	0	0	0	113.2	S419	S419-G422 WeakPolarHBondContact CB-O 3.27Å; S419-G422 PolarHBondContact OG-N 3.03Å; S419-G422 PolarHBondContact OG-O 2.82Å
423	P	87.2	Confident	85.9	Confident	37 Å²	37	43.5 Å²	43.5	24%	0.24	29%	0.285	C	S	.	.			trans	-66.8	144.6	175.3	29.4	-34.2	0	0	0	111.7	P367 V409 E410 S419	P367-P423 HydrophobicContact CG-CB 4.26Å; V409-P423 CarbonylContact O-C 3.24Å; V409-P423 WeakPolarHBondContact O-CA 3.26Å; V409-P423 WeakPolarHBondContact O-CB 3.19Å; E410-P423 HydrophobicContact CG-CB 4.47Å; S419-P423 WeakPolarHBondContact CB-O 3.41Å
424	G	92.6	Very high	86.6	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	134.7	167.5	0	0	0	0	0	110.4	C408 V409 Y426	C408-G424 WeakPolarHBondContact CA-O 3.35Å; V409-G424 PolarHBondContact N-O 2.96Å; V409-G424 PolarHBondContact O-N 3.38Å; G424-Y426 WeakPolarHBondContact O-CD2 3.42Å; G424-Y426 WeakPolarHBondContact O-CE2 3.24Å
425	L	96.1	Very high	87.6	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	115.8	172.7	173.3	60.2	0	0	0	109.7	F364 C408 C435 Y436 V439 L442	F364-L425 HydrophobicContact CD1-CD1 3.9Å; F364-L425 HydrophobicContact CD2-CD1 3.82Å; F364-L425 HydrophobicContact CE1-CD1 3.72Å; F364-L425 HydrophobicContact CE1-CD2 4.46Å; F364-L425 HydrophobicContact CE2-CD1 3.64Å; F364-L425 HydrophobicContact CE2-CD2 4.28Å; F364-L425 HydrophobicContact CG-CD1 3.95Å; F364-L425 HydrophobicContact CZ-CD1 3.59Å; F364-L425 HydrophobicContact CZ-CD2 3.87Å; F364-L425 HydrophobicContact CZ-CG 4.4Å; C408-L425 HydrophobicContact CB-CD1 4.11Å; L425-C435 CarbonylContact O-C 3.56Å; L425-C435 WeakPolarHBondContact O-CA 3.4Å; L425-Y436 PolarHBondContact N-O 2.04Å; L425-Y436 PolarHBondContact O-N 3.4Å; L425-V439 HydrophobicContact CD2-CG2 4.09Å; L425-L442 HydrophobicContact CD2-CB 4.22Å; L425-L442 HydrophobicContact CD2-CD2 3.88Å
426	Y	96.9	Very high	89	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.1	-175.9	-60.5	-89.9	0	0	0	110.4	A406 L407 V409 S412 L413 G424 L433 Y434 C435	A406-Y426 CarbonylContact C-O 3.56Å; A406-Y426 VanDerWaalsContact CA-O 3.27Å; A406-Y426 WeakPolarHBondContact CA-O 3.33Å; L407-Y426 PolarHBondContact N-O 2.86Å; L407-Y426 PolarHBondContact O-N 3.06Å; V409-Y426 HydrophobicContact CG2-CD2 4.13Å; V409-Y426 HydrophobicContact CG2-CE2 3.89Å; S412-Y426 WeakPolarHBondContact CA-OH 3.34Å; S412-Y426 PolarHBondContact OG-OH 3.3Å; L413-Y426 HydrophobicContact CB-CD1 4.03Å; L413-Y426 HydrophobicContact CB-CD2 3.97Å; L413-Y426 HydrophobicContact CB-CE1 3.73Å; L413-Y426 HydrophobicContact CB-CE2 3.71Å; L413-Y426 HydrophobicContact CB-CG 4.14Å; L413-Y426 HydrophobicContact CD2-CD1 4.39Å; L413-Y426 HydrophobicContact CD2-CG 4.18Å; L413-Y426 PolarHBondContact N-OH 2.86Å; G424-Y426 WeakPolarHBondContact O-CD2 3.42Å; G424-Y426 WeakPolarHBondContact O-CE2 3.24Å; Y426-L433 HydrophobicContact CD1-CD1 4.04Å; Y426-L433 HydrophobicContact CD1-CD2 4.37Å; Y426-L433 HydrophobicContact CD1-CG 4.4Å; Y426-Y434 WeakPolarHBondContact CA-O 3.38Å; Y426-C435 HydrophobicContact CD1-CB 4.16Å; Y426-C435 VanDerWaalsContact CD1-SG 3.57Å; Y426-C435 HydrophobicContact CE1-CB 4.2Å; Y426-C435 WeakPolarHBondContact CE1-SG 3.48Å
427	L	97.7	Very high	90	Very high	0 Å²	0	36 Å²	36	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	138.5	171.4	-60.2	178.3	0	0	0	108.9	M375 W398 V403 A406 Y434 Y436 L442	M375-L427 HydrophobicContact SD-CD2 4.02Å; W398-L427 HydrophobicContact CE3-CD1 4.3Å; W398-L427 HydrophobicContact CZ3-CD1 4.18Å; V403-L427 HydrophobicContact CG1-CB 4.25Å; V403-L427 HydrophobicContact CG1-CD1 4.35Å; A406-L427 HydrophobicContact CB-CD2 3.45Å; A406-L427 VanDerWaalsContact CB-CD2 3.45Å; L427-Y434 PolarHBondContact N-O 3.44Å; L427-Y434 PolarHBondContact O-N 2.99Å; L427-Y436 HydrophobicContact CD1-CD2 4.5Å; L427-Y436 HydrophobicContact CD1-CE2 4.04Å; L427-L442 HydrophobicContact CD1-CD1 3.86Å; L427-L442 HydrophobicContact CD1-CD2 4.29Å
428	I	97	Very high	90.8	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	143.7	176.6	51	161.2	0	0	0	110.8	L263 L266 V403 D404 G405 N432 L433 V454	L263-I428 HydrophobicContact CB-CD1 3.51Å; L263-I428 HydrophobicContact CD1-CD1 4.26Å; L266-I428 HydrophobicContact CD1-CD1 4.2Å; L266-I428 HydrophobicContact CD1-CG1 4.14Å; L266-I428 HydrophobicContact CD1-CG2 3.92Å; L266-I428 HydrophobicContact CD2-CD1 4.36Å; L266-I428 HydrophobicContact CG-CD1 3.94Å; L266-I428 HydrophobicContact CG-CG1 4.36Å; V403-I428 CarbonylContact C-O 3.58Å; V403-I428 WeakPolarHBondContact CA-O 3.08Å; D404-I428 PolarHBondContact N-O 2.91Å; G405-I428 WeakPolarHBondContact O-CG1 3.48Å; G405-I428 PolarHBondContact O-N 2.91Å; I428-N432 WeakPolarHBondContact CA-O 3.48Å; I428-L433 HydrophobicContact CG2-CB 4.48Å; I428-L433 HydrophobicContact CG2-CD1 3.52Å; I428-V454 HydrophobicContact CB-CG2 4.3Å; I428-V454 HydrophobicContact CG2-CG2 3.88Å
429	H	97	Very high	91.4	Very high	68 Å²	68	34.9 Å²	34.9	32%	0.315	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	114.3	169.5	-178.4	-147.7	0	0	0	109.6	D404 N432 Y434	D404-H429 IonicContact OD1-CD2 3.74Å; D404-H429 WeakPolarHBondContact OD2-CA 3.12Å; D404-H429 IonicContact OD2-CD2 3.5Å; H429-N432 PolarHBondContact N-O 2.77Å; H429-N432 WeakPolarHBondContact O-CB 3.04Å; H429-N432 PolarHBondContact O-N 2.79Å; H429-Y434 HydrophobicContact CB-CE2 4.33Å
430	G	94.2	Very high	91.9	Very high	15 Å²	15	41.5 Å²	41.5	16%	0.155	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	-123.5	-171.2	0	0	0	0	0	111.3	D404 N432	D404-G430 PolarHBondContact OD2-N 3.46Å; G430-N432 VanDerWaalsContact C-N 3.27Å; G430-N432 PolarHBondContact O-N 2.79Å
431	P	93.5	Very high	92.9	Very high	69 Å²	69	43 Å²	43	45%	0.448	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-2.4	179.9	34.9	-36.4	0	0	0	113.8	K453 V454	P431-K453 WeakPolarHBondContact O-CA 3.41Å; P431-V454 PolarHBondContact O-N 3.18Å
432	N	94.6	Very high	94.2	Very high	53 Å²	53	35.1 Å²	35.1	28%	0.283	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	135.8	-170	-62.5	-44.1	0	0	0	112.3	I428 H429 G430 Y434 P451	I428-N432 WeakPolarHBondContact CA-O 3.48Å; H429-N432 PolarHBondContact N-O 2.77Å; H429-N432 WeakPolarHBondContact O-CB 3.04Å; H429-N432 PolarHBondContact O-N 2.79Å; G430-N432 VanDerWaalsContact C-N 3.27Å; G430-N432 PolarHBondContact O-N 2.79Å; N432-Y434 HydrophobicContact CB-CD2 4.49Å; N432-Y434 HydrophobicContact CB-CE2 3.65Å; N432-P451 HydrophobicContact CB-CB 3.68Å; N432-P451 HydrophobicContact CB-CG 4.32Å
433	L	94.6	Very high	95.1	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	117.8	171.7	175.4	69.7	0	0	0	109	Y426 I428 P451 Q452 V454 L457	Y426-L433 HydrophobicContact CD1-CD1 4.04Å; Y426-L433 HydrophobicContact CD1-CD2 4.37Å; Y426-L433 HydrophobicContact CD1-CG 4.4Å; I428-L433 HydrophobicContact CG2-CB 4.48Å; I428-L433 HydrophobicContact CG2-CD1 3.52Å; L433-P451 CarbonylContact O-C 3.59Å; L433-P451 WeakPolarHBondContact O-CA 3.33Å; L433-Q452 HydrophobicContact CB-CB 4.23Å; L433-Q452 HydrophobicContact CD2-CB 4.29Å; L433-Q452 PolarHBondContact N-O 2.87Å; L433-Q452 PolarHBondContact O-N 2.62Å; L433-V454 HydrophobicContact CB-CG2 4.29Å; L433-L457 HydrophobicContact CD1-CD1 4.04Å; L433-L457 HydrophobicContact CD2-CD1 3.99Å; L433-L457 HydrophobicContact CD2-CD2 3.53Å; L433-L457 HydrophobicContact CD2-CG 3.83Å
434	Y	95.7	Very high	95.6	Very high	25 Å²	25	37.2 Å²	37.2	10%	0.098	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	146.1	175.2	-54.4	-85.7	0	0	0	109.7	H400 Y426 L427 H429 N432 P448 P449 P451	H400-Y434 AromaticContact CE1-CD2 3.8Å; H400-Y434 AromaticContact CE1-CG 3.78Å; Y426-Y434 WeakPolarHBondContact CA-O 3.38Å; L427-Y434 PolarHBondContact N-O 3.44Å; L427-Y434 PolarHBondContact O-N 2.99Å; H429-Y434 HydrophobicContact CB-CE2 4.33Å; N432-Y434 HydrophobicContact CB-CD2 4.49Å; N432-Y434 HydrophobicContact CB-CE2 3.65Å; Y434-P448 HydrophobicContact CD1-CB 3.84Å; Y434-P448 HydrophobicContact CE1-CB 3.61Å; Y434-P449 HydrophobicContact CD1-CG 4.21Å; Y434-P449 WeakPolarHBondContact CD1-O 3.38Å; Y434-P451 HydrophobicContact CD1-CB 4.06Å; Y434-P451 HydrophobicContact CE1-CB 3.71Å; Y434-P451 HydrophobicContact CE1-CG 4.13Å
435	C	95	Very high	95.8	Very high	20 Å²	20	38.5 Å²	38.5	14%	0.135	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.7	-178.3	-158.8	0	0	0	0	110.3	C418 L425 Y426	C418-C435 HydrophobicContact CB-CB 3.52Å; C418-C435 WeakPolarHBondContact CB-SG 3.31Å; C418-C435 WeakPolarHBondContact SG-CB 3.43Å; C418-C435 CovalentContact SG-SG 2.01Å; C418-C435 PolarHBondContact SG-SG 2.83Å; L425-C435 CarbonylContact O-C 3.56Å; L425-C435 WeakPolarHBondContact O-CA 3.4Å; Y426-C435 HydrophobicContact CD1-CB 4.16Å; Y426-C435 VanDerWaalsContact CD1-SG 3.57Å; Y426-C435 HydrophobicContact CE1-CB 4.2Å; Y426-C435 WeakPolarHBondContact CE1-SG 3.48Å
436	Y	95.4	Very high	95.8	Very high	12 Å²	12	48.5 Å²	48.5	5%	0.047	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.4	177.4	-62.7	-93.3	0	0	0	109.7	P399 H400 C418 L425 L427 D438 K441 L442 A445 P449	P399-Y436 WeakPolarHBondContact CG-OH 3.07Å; H400-Y436 AromaticContact NE2-CE2 3.67Å; H400-Y436 AromaticContact NE2-CZ 3.6Å; H400-Y436 PolarHBondContact NE2-OH 3.03Å; C418-Y436 PolarHBondContact SG-N 3.25Å; C418-Y436 PolarHBondContact SG-O 3.12Å; L425-Y436 PolarHBondContact N-O 2.04Å; L425-Y436 PolarHBondContact O-N 3.4Å; L427-Y436 HydrophobicContact CD1-CD2 4.5Å; L427-Y436 HydrophobicContact CD1-CE2 4.04Å; Y436-D438 PolarHBondContact O-N 3.22Å; Y436-K441 HydrophobicContact CD1-CB 4.48Å; Y436-L442 HydrophobicContact CD1-CB 4.08Å; Y436-L442 HydrophobicContact CD1-CD1 4.29Å; Y436-L442 HydrophobicContact CD2-CD1 4.07Å; Y436-L442 HydrophobicContact CE1-CB 4.4Å; Y436-L442 HydrophobicContact CE1-CD1 3.9Å; Y436-L442 HydrophobicContact CE2-CD1 3.67Å; Y436-L442 HydrophobicContact CG-CB 4.16Å; Y436-L442 HydrophobicContact CG-CD1 4.36Å; Y436-A445 HydrophobicContact CE1-CB 4.02Å; Y436-P449 HydrophobicContact CE1-CG 4.24Å; Y436-P449 HydrophobicContact CE2-CG 4.27Å; Y436-P449 WeakPolarHBondContact OH-CD 3.25Å
437	S	93.7	Very high	95.8	Very high	31 Å²	31	52.3 Å²	52.3	22%	0.217	29%	0.286	C	S	.	.	S	Bend	trans	-69.1	-24.1	179.2	60.1	0	0	0	0	113.4	S419 K441	S419-S437 PolarHBondContact OG-O 3.29Å; S437-K441 WeakPolarHBondContact OG-CG 3.38Å
438	D	94.1	Very high	95.7	Very high	58 Å²	58	54.6 Å²	54.6	31%	0.31	30%	0.301	S	S	.	.	S	Bend	trans	-172.1	176.5	-176.8	53.3	68.9	0	0	0	110	Y436 E440 K441 L442	Y436-D438 PolarHBondContact O-N 3.22Å; D438-E440 WeakPolarHBondContact OD1-CA 3.3Å; D438-E440 WeakPolarHBondContact OD1-CB 3.45Å; D438-E440 PolarHBondContact OD1-N 3.48Å; D438-K441 PolarHBondContact OD1-N 2.82Å; D438-L442 PolarHBondContact O-N 2.99Å
439	V	95.8	Very high	95.6	Very high	25 Å²	25	56.7 Å²	56.7	15%	0.152	32%	0.315	C	S	.	.	H	α-helix	trans	-70	-29.4	178.9	179.6	0	0	0	0	112.3	F364 L396 L425 L442 N443	F364-V439 HydrophobicContact CE2-CG2 3.9Å; F364-V439 HydrophobicContact CZ-CG2 4.01Å; L396-V439 HydrophobicContact CD1-CG1 4.26Å; L425-V439 HydrophobicContact CD2-CG2 4.09Å; V439-L442 WeakPolarHBondContact O-CB 3.43Å; V439-L442 PolarHBondContact O-N 3.23Å; V439-N443 PolarHBondContact O-N 3.06Å; V439-N443 PolarHBondContact O-ND2 3.17Å; V439-N443 PolarHBondContact O-OD1 3.26Å
440	E	95.3	Very high	95.5	Very high	159 Å²	159	61.6 Å²	61.6	74%	0.743	34%	0.338	S	S	*	.	H	α-helix	trans	-67	-39.9	178.9	-60.8	-178	176.7	0	0	110.8	D438 N443 A444	D438-E440 WeakPolarHBondContact OD1-CA 3.3Å; D438-E440 WeakPolarHBondContact OD1-CB 3.45Å; D438-E440 PolarHBondContact OD1-N 3.48Å; E440-N443 PolarHBondContact O-N 3.41Å; E440-A444 VanDerWaalsContact O-CB 3.29Å; E440-A444 WeakPolarHBondContact O-CB 3.37Å; E440-A444 PolarHBondContact O-N 3.42Å
441	K	96	Very high	95.5	Very high	126 Å²	126	62.8 Å²	62.8	55%	0.548	34%	0.343	S	S	.	.	H	α-helix	trans	-65.6	-36.3	172	-69.6	-52.2	-174	-179.1	0	113	Y436 S437 D438 N443 A445	Y436-K441 HydrophobicContact CD1-CB 4.48Å; S437-K441 WeakPolarHBondContact OG-CG 3.38Å; D438-K441 PolarHBondContact OD1-N 2.82Å; K441-N443 VanDerWaalsContact C-N 3.33Å; K441-A445 WeakPolarHBondContact O-CB 3.45Å; K441-A445 PolarHBondContact O-N 2.72Å
442	L	97.4	Very high	95.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60	-47.6	172.1	174.7	62	0	0	0	110.5	L380 W398 P399 L425 L427 Y436 D438 V439 A445	L380-L442 HydrophobicContact CD2-CD2 3.82Å; L380-L442 HydrophobicContact CD2-CG 4.47Å; W398-L442 HydrophobicContact CB-CD1 4.18Å; W398-L442 HydrophobicContact CB-CG 4.2Å; W398-L442 HydrophobicContact CE3-CD1 4.45Å; P399-L442 WeakPolarHBondContact CD-O 3.07Å; L425-L442 HydrophobicContact CD2-CB 4.22Å; L425-L442 HydrophobicContact CD2-CD2 3.88Å; L427-L442 HydrophobicContact CD1-CD1 3.86Å; L427-L442 HydrophobicContact CD1-CD2 4.29Å; Y436-L442 HydrophobicContact CD1-CB 4.08Å; Y436-L442 HydrophobicContact CD1-CD1 4.29Å; Y436-L442 HydrophobicContact CD2-CD1 4.07Å; Y436-L442 HydrophobicContact CE1-CB 4.4Å; Y436-L442 HydrophobicContact CE1-CD1 3.9Å; Y436-L442 HydrophobicContact CE2-CD1 3.67Å; Y436-L442 HydrophobicContact CG-CB 4.16Å; Y436-L442 HydrophobicContact CG-CD1 4.36Å; D438-L442 PolarHBondContact O-N 2.99Å; V439-L442 WeakPolarHBondContact O-CB 3.43Å; V439-L442 PolarHBondContact O-N 3.23Å; L442-A445 PolarHBondContact O-N 2.77Å
443	N	97.4	Very high	95.2	Very high	40 Å²	40	64.5 Å²	64.5	21%	0.214	34%	0.342	C	S	.	.	H	α-helix	trans	-71.5	-33.5	-175.4	-63.2	-9.7	0	0	0	113.5	P397 V439 E440 K441	P397-N443 HydrophobicContact CG-CB 4.3Å; P397-N443 VanDerWaalsContact O-CA 3.25Å; P397-N443 WeakPolarHBondContact O-CA 3.38Å; P397-N443 PolarHBondContact O-OD1 3.35Å; V439-N443 PolarHBondContact O-N 3.06Å; V439-N443 PolarHBondContact O-ND2 3.17Å; V439-N443 PolarHBondContact O-OD1 3.26Å; E440-N443 PolarHBondContact O-N 3.41Å; K441-N443 VanDerWaalsContact C-N 3.33Å
444	A	97.3	Very high	95.1	Very high	77 Å²	77	64.7 Å²	64.7	64%	0.636	34%	0.343	S	S	*	.	H	α-helix	trans	-82.6	-11.7	-179.9	0	0	0	0	0	113.7	E440 K446	E440-A444 VanDerWaalsContact O-CB 3.29Å; E440-A444 WeakPolarHBondContact O-CB 3.37Å; E440-A444 PolarHBondContact O-N 3.42Å; A444-K446 PolarHBondContact O-N 2.73Å
445	A	96.9	Very high	94.8	Very high	27 Å²	27	64.1 Å²	64.1	22%	0.223	34%	0.342	C	S	.	.			trans	-70	130.3	-176.4	0	0	0	0	0	111.7	P399 Y436 K441 L442	P399-A445 HydrophobicContact CB-CB 4.46Å; P399-A445 HydrophobicContact CG-CB 3.83Å; Y436-A445 HydrophobicContact CE1-CB 4.02Å; K441-A445 WeakPolarHBondContact O-CB 3.45Å; K441-A445 PolarHBondContact O-N 2.72Å; L442-A445 PolarHBondContact O-N 2.77Å
446	K	96	Very high	94.5	Very high	210 Å²	210	65 Å²	65	91%	0.913	35%	0.348	S	S	*	.	S	Bend	trans	-81.9	-24.5	175.2	-64.8	-177.1	179	-179.4	0	113.1	A444	A444-K446 PolarHBondContact O-N 2.73Å
447	S	96.5	Very high	94.1	Very high	80 Å²	80	64.9 Å²	64.9	56%	0.559	35%	0.349	S	S	*	.	S	Bend	trans	-148.2	155.7	178.6	61.3	0	0	0	0	109.4
448	P	96.7	Very high	93.9	Very high	48 Å²	48	63.4 Å²	63.4	31%	0.312	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-58.3	144.6	172.8	-23.7	35.6	0	0	0	111.4	P399 Y434	P399-P448 HydrophobicContact CB-CG 4.38Å; P399-P448 HydrophobicContact CG-CG 4.49Å; Y434-P448 HydrophobicContact CD1-CB 3.84Å; Y434-P448 HydrophobicContact CE1-CB 3.61Å
449	P	95.3	Very high	93.6	Very high	46 Å²	46	62.7 Å²	62.7	30%	0.299	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-67.4	168.8	173.8	30.1	-35.1	0	0	0	110.6	Y434 Y436 P451	Y434-P449 HydrophobicContact CD1-CG 4.21Å; Y434-P449 WeakPolarHBondContact CD1-O 3.38Å; Y436-P449 HydrophobicContact CE1-CG 4.24Å; Y436-P449 HydrophobicContact CE2-CG 4.27Å; Y436-P449 WeakPolarHBondContact OH-CD 3.25Å; P449-P451 WeakPolarHBondContact O-CD 3.4Å
450	Q	94.3	Very high	93.3	Very high	172 Å²	172	62.2 Å²	62.2	80%	0.804	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-57.7	121.6	174	-174.8	63.8	26.5	0	0	109.9
451	P	93.6	Very high	92.3	Very high	40 Å²	40	61.2 Å²	61.2	26%	0.26	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-75.3	145.2	-177.1	28.3	-33.5	0	0	0	111.9	N432 L433 Y434 P449	N432-P451 HydrophobicContact CB-CB 3.68Å; N432-P451 HydrophobicContact CB-CG 4.32Å; L433-P451 CarbonylContact O-C 3.59Å; L433-P451 WeakPolarHBondContact O-CA 3.33Å; Y434-P451 HydrophobicContact CD1-CB 4.06Å; Y434-P451 HydrophobicContact CE1-CB 3.71Å; Y434-P451 HydrophobicContact CE1-CG 4.13Å; P449-P451 WeakPolarHBondContact O-CD 3.4Å
452	Q	91.8	Very high	90.3	Very high	55 Å²	55	64.1 Å²	64.1	26%	0.257	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	170.4	157.3	-59.4	179.7	17	0	0	109.1	L433	L433-Q452 HydrophobicContact CB-CB 4.23Å; L433-Q452 HydrophobicContact CD2-CB 4.29Å; L433-Q452 PolarHBondContact N-O 2.87Å; L433-Q452 PolarHBondContact O-N 2.62Å
453	K	91	Very high	90	Very high	103 Å²	103	67.4 Å²	67.4	45%	0.448	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	134.5	178.1	-64.5	-176.6	178.8	177.1	0	110.8	P431 T455 S456 H462	P431-K453 WeakPolarHBondContact O-CA 3.41Å; K453-T455 PolarHBondContact O-N 3.36Å; K453-S456 VanDerWaalsContact O-CB 3.3Å; K453-S456 WeakPolarHBondContact O-CB 3.41Å; K453-S456 PolarHBondContact O-N 3.12Å; K453-S456 PolarHBondContact O-OG 2.81Å; K453-H462 WeakPolarHBondContact CD-CD2 3.45Å; K453-H462 WeakPolarHBondContact CD-NE2 3.36Å; K453-H462 PolarHBondContact NZ-CD2 3.03Å; K453-H462 PolarHBondContact NZ-CE1 3.41Å; K453-H462 VanDerWaalsContact NZ-CE1 3.28Å; K453-H462 VanDerWaalsContact NZ-CG 3.28Å; K453-H462 PolarHBondContact NZ-ND1 2.97Å; K453-H462 PolarHBondContact NZ-NE2 3.09Å; K453-H462 VanDerWaalsContact NZ-NE2 3.1Å
454	V	91.8	Very high	89.6	Confident	4 Å²	4	68.8 Å²	68.8	2%	0.024	39%	0.389	C	S	.	.	H	α-helix	trans	-57.3	-35.5	174.8	167	0	0	0	0	111.7	L263 I428 P431 L433 S456 L457	L263-V454 HydrophobicContact CD1-CG1 3.37Å; L263-V454 HydrophobicContact CG-CG1 3.85Å; I428-V454 HydrophobicContact CB-CG2 4.3Å; I428-V454 HydrophobicContact CG2-CG2 3.88Å; P431-V454 PolarHBondContact O-N 3.18Å; L433-V454 HydrophobicContact CB-CG2 4.29Å; V454-S456 PolarHBondContact O-N 3.17Å; V454-S456 VanDerWaalsContact O-N 3.12Å; V454-L457 VanDerWaalsContact O-CB 3.23Å; V454-L457 WeakPolarHBondContact O-CB 3.36Å; V454-L457 PolarHBondContact O-N 3.48Å
455	T	89.9	Confident	89.2	Confident	13 Å²	13	68.3 Å²	68.3	8%	0.08	38%	0.375	C	S	.	.	H	α-helix	trans	-60.2	-23	176.7	56.7	0	0	0	0	113.4	K453 L457 L458 G459 C460 H462	K453-T455 PolarHBondContact O-N 3.36Å; T455-L457 VanDerWaalsContact C-N 3.3Å; T455-L457 PolarHBondContact O-N 3.1Å; T455-L458 CarbonylContact O-C 2.93Å; T455-L458 PolarHBondContact O-N 3.28Å; T455-L458 VanDerWaalsContact O-N 3.13Å; T455-G459 PolarHBondContact O-N 2.83Å; T455-C460 WeakPolarHBondContact O-CB 3.36Å; T455-C460 PolarHBondContact O-N 2.77Å; T455-C460 VanDerWaalsContact O-N 3.08Å; T455-H462 PolarHBondContact OG1-NE2 3.17Å
456	S	87.8	Confident	88.7	Confident	39 Å²	39	70.8 Å²	70.8	27%	0.273	38%	0.384	S	S	.	.	H	α-helix	trans	-66.9	-31.2	172.9	71.6	0	0	0	0	112.5	K453 V454 L458 G459	K453-S456 VanDerWaalsContact O-CB 3.3Å; K453-S456 WeakPolarHBondContact O-CB 3.41Å; K453-S456 PolarHBondContact O-N 3.12Å; K453-S456 PolarHBondContact O-OG 2.81Å; V454-S456 PolarHBondContact O-N 3.17Å; V454-S456 VanDerWaalsContact O-N 3.12Å; S456-L458 PolarHBondContact O-N 3.35Å; S456-G459 PolarHBondContact O-N 3.2Å
457	L	87.8	Confident	88.3	Confident	10 Å²	10	62.1 Å²	62.1	5%	0.052	35%	0.351	C	S	.	.	H	α-helix	trans	-65.8	-24.5	173.4	-59.3	-174.6	0	0	0	112.3	W292 L413 L433 V454 T455	W292-L457 WeakPolarHBondContact CH2-O 3.04Å; L413-L457 HydrophobicContact CB-CD2 4.36Å; L413-L457 HydrophobicContact CD2-CD1 3.69Å; L413-L457 HydrophobicContact CD2-CD2 3.9Å; L413-L457 HydrophobicContact CD2-CG 4.42Å; L413-L457 HydrophobicContact CG-CD1 4.35Å; L413-L457 HydrophobicContact CG-CD2 3.7Å; L433-L457 HydrophobicContact CD1-CD1 4.04Å; L433-L457 HydrophobicContact CD2-CD1 3.99Å; L433-L457 HydrophobicContact CD2-CD2 3.53Å; L433-L457 HydrophobicContact CD2-CG 3.83Å; V454-L457 VanDerWaalsContact O-CB 3.23Å; V454-L457 WeakPolarHBondContact O-CB 3.36Å; V454-L457 PolarHBondContact O-N 3.48Å; T455-L457 VanDerWaalsContact C-N 3.3Å; T455-L457 PolarHBondContact O-N 3.1Å
458	L	89.8	Confident	87.7	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	12.7	-177.9	-61.4	173.6	0	0	0	112.2	R256 L261 W283 L285 W292 T455 S456 C460	R256-L458 HydrophobicContact CG-CB 3.9Å; R256-L458 HydrophobicContact CG-CD1 4.25Å; R256-L458 PolarHBondContact NH1-O 3.15Å; R256-L458 WeakPolarHBondContact O-CD1 3Å; L261-L458 HydrophobicContact CD2-CD1 3.2Å; W283-L458 HydrophobicContact CB-CD2 3.98Å; W283-L458 HydrophobicContact CD2-CD2 4.21Å; W283-L458 HydrophobicContact CG-CD2 3.96Å; L285-L458 HydrophobicContact CD2-CD2 3.74Å; W292-L458 VanDerWaalsContact CE2-O 3.24Å; W292-L458 HydrophobicContact CE3-CD2 4.43Å; W292-L458 HydrophobicContact CZ3-CD2 4.03Å; T455-L458 CarbonylContact O-C 2.93Å; T455-L458 PolarHBondContact O-N 3.28Å; T455-L458 VanDerWaalsContact O-N 3.13Å; S456-L458 PolarHBondContact O-N 3.35Å; L458-C460 VanDerWaalsContact C-N 3.3Å; L458-C460 PolarHBondContact O-N 2.91Å
459	G	87.8	Confident	87.1	Confident	42 Å²	42	61.8 Å²	61.8	43%	0.433	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	26.7	176.1	0	0	0	0	0	114.3	T455 S456	T455-G459 PolarHBondContact O-N 2.83Å; S456-G459 PolarHBondContact O-N 3.2Å
460	C	88.9	Confident	86.4	Confident	16 Å²	16	63 Å²	63	11%	0.108	34%	0.342	C	S	.	.			trans	-88.7	124.7	173.3	-54.2	0	0	0	0	109.7	C257 T455 L458	C257-C460 WeakPolarHBondContact CA-SG 3.45Å; C257-C460 HydrophobicContact CB-CB 3.81Å; C257-C460 WeakPolarHBondContact CB-SG 3.45Å; C257-C460 WeakPolarHBondContact SG-CB 3.36Å; C257-C460 CovalentContact SG-SG 2.04Å; C257-C460 PolarHBondContact SG-SG 3.28Å; T455-C460 WeakPolarHBondContact O-CB 3.36Å; T455-C460 PolarHBondContact O-N 2.77Å; T455-C460 VanDerWaalsContact O-N 3.08Å; L458-C460 VanDerWaalsContact C-N 3.3Å; L458-C460 PolarHBondContact O-N 2.91Å
461	T	73.9	Confident	85.8	Confident	138 Å²	138	53.9 Å²	53.9	85%	0.847	30%	0.304	S	S	*	.			trans	-82.4	141.5	170.4	50.3	0	0	0	0	109.7
462	H	55.3	Low	85.1	Confident	187 Å²	187	55.2 Å²	55.2	87%	0.866	31%	0.308	S	S	*	.			trans	-91.6	0	164.9	-79.3	-68	0	0	0	110.6	K453 T455	K453-H462 WeakPolarHBondContact CD-CD2 3.45Å; K453-H462 WeakPolarHBondContact CD-NE2 3.36Å; K453-H462 PolarHBondContact NZ-CD2 3.03Å; K453-H462 PolarHBondContact NZ-CE1 3.41Å; K453-H462 VanDerWaalsContact NZ-CE1 3.28Å; K453-H462 VanDerWaalsContact NZ-CG 3.28Å; K453-H462 PolarHBondContact NZ-ND1 2.97Å; K453-H462 PolarHBondContact NZ-NE2 3.09Å; K453-H462 VanDerWaalsContact NZ-NE2 3.1Å; T455-H462 PolarHBondContact OG1-NE2 3.17Å

Retrieved 462 of 462 residues in 137.6 ms (Link to these results)

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