A0A077ZM16_TRITR Loading...

Protein angel 2

AlphaFold DB , UniProt , Accession A0A077ZM16, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 462 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	33.4	Very low	223 Å²	223	123.2 Å²	123.2	100%	1.099	63%	0.631	S	S	*	*				0	-45.7	0	-69.6	-173.7	-168.2	0	0	113.9	R3	M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 2.9Å
2	K	32	Very low	32.9	Very low	199 Å²	199	120 Å²	120	87%	0.865	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-23.6	-179.5	-119.1	179.1	-178	179.1	0	116.2
3	R	34.3	Very low	32.5	Very low	177 Å²	177	129.3 Å²	129.3	67%	0.668	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-30.4	178.9	-73.5	-174.1	-177.3	178.2	2.3	114.4	M1 A5 E6	M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 2.9Å; R3-A5 VanDerWaalsContact C-N 3.26Å; R3-A5 PolarHBondContact O-N 2.75Å; R3-E6 WeakPolarHBondContact O-CB 3.46Å; R3-E6 PolarHBondContact O-N 2.98Å; R3-E6 VanDerWaalsContact O-N 3.08Å
4	A	31.6	Very low	32.2	Very low	62 Å²	62	127.4 Å²	127.4	51%	0.512	66%	0.664	S	S	.	*	H	α-helix	trans	-66.2	-28.7	178.6	0	0	0	0	0	112.9	E6 T7 E8	A4-E6 PolarHBondContact O-N 3.19Å; A4-T7 PolarHBondContact O-N 2.95Å; A4-E8 PolarHBondContact O-N 2.71Å
5	A	32.9	Very low	31.7	Very low	60 Å²	60	128.5 Å²	128.5	50%	0.496	67%	0.671	S	S	.	*	H	α-helix	trans	-69.6	-14.7	174.3	0	0	0	0	0	113.7	R3	R3-A5 VanDerWaalsContact C-N 3.26Å; R3-A5 PolarHBondContact O-N 2.75Å
6	E	36	Very low	31.3	Very low	107 Å²	107	129.9 Å²	129.9	50%	0.5	68%	0.677	S	S	.	*	H	α-helix	trans	-80.5	-24.3	176.3	-62.4	-174.7	136.6	0	0	111.7	R3 A4	R3-E6 WeakPolarHBondContact O-CB 3.46Å; R3-E6 PolarHBondContact O-N 2.98Å; R3-E6 VanDerWaalsContact O-N 3.08Å; A4-E6 PolarHBondContact O-N 3.19Å
7	T	35.9	Very low	31	Very low	52 Å²	52	132.2 Å²	132.2	32%	0.319	68%	0.681	S	S	.	*	H	α-helix	trans	-94	-32.5	-175.8	-34.9	0	0	0	0	113.4	A4 M9 E108 L109	A4-T7 PolarHBondContact O-N 2.95Å; T7-M9 PolarHBondContact O-N 3.19Å; T7-M9 VanDerWaalsContact O-N 3.12Å; T7-E108 HydrophobicContact CG2-CG 4.12Å; T7-L109 HydrophobicContact CG2-CD2 4.18Å
8	E	30.2	Very low	30.7	Very low	161 Å²	161	136.4 Å²	136.4	75%	0.752	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-70.1	-6.8	-174.8	-94.9	-175.3	165.3	0	0	116.1	A4	A4-E8 PolarHBondContact O-N 2.71Å
9	M	36.7	Very low	30.3	Very low	106 Å²	106	137.7 Å²	137.7	52%	0.522	69%	0.692	S	S	.	*	G	3₁₀ helix	trans	-100.4	5.2	-171.4	-70.1	-171.8	76.2	0	0	116.2	T7 S11 R247	T7-M9 PolarHBondContact O-N 3.19Å; T7-M9 VanDerWaalsContact O-N 3.12Å; M9-S11 PolarHBondContact O-N 3.14Å; M9-R247 VanDerWaalsContact SD-CZ 3.59Å; M9-R247 PolarHBondContact SD-NH2 3.36Å
10	F	32.8	Very low	30	Very low	96 Å²	96	137.9 Å²	137.9	42%	0.421	69%	0.69	S	S	.	*	G	3₁₀ helix	trans	-68.9	-8.5	165.4	-86.3	-84.1	0	0	0	112.4	S12 H393	F10-S12 VanDerWaalsContact C-N 3.34Å; F10-S12 PolarHBondContact O-N 3.46Å; F10-H393 WeakPolarHBondContact CB-NE2 3.21Å; F10-H393 AromaticContact CD1-CD2 3.83Å; F10-H393 AromaticContact CD1-CE1 3.85Å; F10-H393 AromaticContact CD1-NE2 3.72Å; F10-H393 AromaticContact CG-NE2 3.74Å
11	S	32.6	Very low	29.9	Very low	112 Å²	112	138.3 Å²	138.3	78%	0.783	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-76.7	2.9	-172.5	-172.7	0	0	0	0	116.7	M9	M9-S11 PolarHBondContact O-N 3.14Å
12	S	27.8	Very low	29.3	Very low	85 Å²	85	135 Å²	135	59%	0.594	69%	0.685	S	S	*	*	S	Bend	trans	-140.6	107.1	-178	68.8	0	0	0	0	115	F10	F10-S12 VanDerWaalsContact C-N 3.34Å; F10-S12 PolarHBondContact O-N 3.46Å
13	R	27.9	Very low	29	Very low	241 Å²	241	128.5 Å²	128.5	91%	0.909	68%	0.675	S	S	*	*			trans	66.3	68.9	145.6	-59.9	179.5	176.1	178.4	-1.9	115.7	N15	R13-N15 VanDerWaalsContact C-N 3.33Å; R13-N15 PolarHBondContact O-N 2.91Å
14	A	28.3	Very low	28.6	Very low	103 Å²	103	126.8 Å²	126.8	85%	0.851	68%	0.684	S	S	*	*			trans	-90.3	73.4	150.5	0	0	0	0	0	108.7
15	N	24.6	Very low	28.2	Very low	143 Å²	143	128.3 Å²	128.3	77%	0.765	69%	0.691	S	S	*	*			trans	-154.4	140.7	163.5	-96.1	-28.8	0	0	0	106	R13	R13-N15 VanDerWaalsContact C-N 3.33Å; R13-N15 PolarHBondContact O-N 2.91Å
16	I	25.7	Very low	27.9	Very low	151 Å²	151	130 Å²	130	77%	0.774	70%	0.704	S	S	*	*			trans	87.1	92.3	-176.4	-45.7	156.3	0	0	0	112.4
17	F	26.5	Very low	27.3	Very low	170 Å²	170	134 Å²	134	75%	0.746	72%	0.72	S	S	*	*				-174.7	101	125.8	-101.8	-72.5	0	0	0	109.6
18	Y	25.7	Very low	26.9	Very low	208 Å²	208	138.1 Å²	138.1	82%	0.816	75%	0.745	S	S	*	*			trans	-144.9	78.8	155.9	-102.6	-77.7	0	0	0	106.9
19	E	21.5	Very low	26.5	Very low	160 Å²	160	134.2 Å²	134.2	75%	0.748	75%	0.747	S	S	*	*			trans	-144.3	141.2	158.2	-77.7	-161.2	152.2	0	0	109.9
20	H	24.6	Very low	26	Very low	141 Å²	141	132.1 Å²	132.1	65%	0.653	75%	0.754	S	S	*	*			trans	76.1	85.1	169.2	-58.1	-66.4	0	0	0	118.7
21	T	27.5	Very low	25.7	Very low	148 Å²	148	134.3 Å²	134.3	91%	0.908	77%	0.774	S	S	*	*				-135.8	86.6	125.1	-45.4	0	0	0	0	108.7
22	I	20.8	Very low	25.6	Very low	153 Å²	153	138.6 Å²	138.6	79%	0.785	78%	0.779	S	S	*	*			trans	-84.5	122.1	164.8	-66.5	170.5	0	0	0	105.9
23	G	25.9	Very low	25.7	Very low	63 Å²	63	139.3 Å²	139.3	65%	0.649	78%	0.784	S	S	*	*			trans	-162.5	79.4	-177.1	0	0	0	0	0	113.8
24	V	25.4	Very low	26	Very low	141 Å²	141	135.7 Å²	135.7	86%	0.855	78%	0.777	S	S	*	*			trans	73.6	98.2	153.2	-163.2	0	0	0	0	118.4
25	S	22.6	Very low	26.3	Very low	94 Å²	94	134.9 Å²	134.9	66%	0.657	76%	0.764	S	S	*	*			trans	-55.5	124.8	154.9	138.9	0	0	0	0	111.9
26	A	28.1	Very low	26.7	Very low	94 Å²	94	136.5 Å²	136.5	78%	0.777	76%	0.764	S	S	*	*			trans	-107.4	101.1	150.2	0	0	0	0	0	108.3	V28	A26-V28 PolarHBondContact O-N 3.04Å
27	K	22.7	Very low	27.1	Very low	193 Å²	193	139.5 Å²	139.5	84%	0.839	77%	0.766	S	S	*	*			trans	-65.1	114.1	167.7	-79.2	176.6	174	176.3	0	108.6
28	V	27.8	Very low	27.3	Very low	137 Å²	137	139.9 Å²	139.9	83%	0.83	77%	0.767	S	S	*	*			trans	-126	105.3	154.6	-175.5	0	0	0	0	106.8	A26	A26-V28 PolarHBondContact O-N 3.04Å
29	G	21.6	Very low	27.7	Very low	79 Å²	79	134.2 Å²	134.2	81%	0.814	75%	0.754	S	S	*	*			trans	-69.3	135.1	171.1	0	0	0	0	0	110
30	G	26.5	Very low	28.2	Very low	63 Å²	63	137 Å²	137	65%	0.649	76%	0.758	S	S	*	*			trans	-166.8	100.6	174.5	0	0	0	0	0	108.7	F32	G30-F32 PolarHBondContact O-N 3.14Å; G30-F32 VanDerWaalsContact O-N 3.16Å
31	V	24.9	Very low	28.5	Very low	141 Å²	141	140.5 Å²	140.5	86%	0.855	77%	0.765	S	S	*	*			trans	-60.4	109.7	175.5	176.6	0	0	0	0	108.7
32	F	30.8	Very low	28.8	Very low	203 Å²	203	138.5 Å²	138.5	89%	0.89	75%	0.753	S	S	*	*			trans	-124.3	107.8	161.1	-85.3	-79	0	0	0	109.8	G30	G30-F32 PolarHBondContact O-N 3.14Å; G30-F32 VanDerWaalsContact O-N 3.16Å
33	S	31	Very low	29.6	Very low	100 Å²	100	135.3 Å²	135.3	70%	0.699	74%	0.737	S	S	*	*			trans	-63.2	152.5	170.3	43	0	0	0	0	111.9	P35	S33-P35 VanDerWaalsContact O-CD 3.24Å; S33-P35 WeakPolarHBondContact O-CD 3.35Å
34	E	33.2	Very low	30.1	Very low	164 Å²	164	136 Å²	136	77%	0.766	74%	0.736	S	S	*	*			trans	-36.1	122.2	-175.2	-62.4	-178	126.3	0	0	117
35	P	35	Very low	30.5	Very low	86 Å²	86	137.1 Å²	137.1	56%	0.558	73%	0.732	S	S	*	*			trans	-126	7.3	143.2	12.1	11.3	0	0	0	113.6	S33 R37 K38	S33-P35 VanDerWaalsContact O-CD 3.24Å; S33-P35 WeakPolarHBondContact O-CD 3.35Å; P35-R37 VanDerWaalsContact C-N 3.29Å; P35-R37 PolarHBondContact O-N 3.26Å; P35-K38 PolarHBondContact O-N 2.95Å
36	F	33.1	Very low	31.5	Very low	177 Å²	177	139.5 Å²	139.5	78%	0.776	73%	0.733	S	S	*	*	H	α-helix	trans	-70.2	-14.9	-171.8	-77.5	-78.5	0	0	0	115.5
37	R	34.6	Very low	32.3	Very low	214 Å²	214	140.5 Å²	140.5	81%	0.808	73%	0.734	S	S	*	*	H	α-helix	trans	-78.8	-25.7	175.2	-84.6	-178.3	174	167.8	-1.6	114.3	P35	P35-R37 VanDerWaalsContact C-N 3.29Å; P35-R37 PolarHBondContact O-N 3.26Å
38	K	30.6	Very low	33.7	Very low	178 Å²	178	133.3 Å²	133.3	77%	0.774	71%	0.706	S	S	*	*	H	α-helix	trans	-78.8	-28.6	-178.4	-111.7	176.9	179.1	177.3	0	112.9	P35 R40 R41	P35-K38 PolarHBondContact O-N 2.95Å; K38-R40 VanDerWaalsContact C-N 3.34Å; K38-R40 PolarHBondContact O-N 2.98Å; K38-R41 PolarHBondContact O-N 2.64Å
39	V	34.2	Very low	35.2	Very low	90 Å²	90	130.5 Å²	130.5	55%	0.545	69%	0.691	S	S	.	*	H	α-helix	trans	-66	-34.3	-179.3	-177.4	0	0	0	0	112.1	R41 L43	V39-R41 VanDerWaalsContact C-N 3.32Å; V39-R41 PolarHBondContact O-N 3.08Å; V39-L43 HydrophobicContact CG1-CD1 4.46Å
40	R	31.2	Very low	37.2	Very low	219 Å²	219	128 Å²	128	83%	0.826	66%	0.657	S	S	*	*	H	α-helix	trans	-65.5	-28.3	176.9	-88.6	-174.2	169.8	-179.7	-2.5	114.1	K38	K38-R40 VanDerWaalsContact C-N 3.34Å; K38-R40 PolarHBondContact O-N 2.98Å
41	R	31.1	Very low	39.1	Very low	213 Å²	213	129 Å²	129	80%	0.804	65%	0.648	S	S	*	*	H	α-helix	trans	-80.8	-32.4	-178.9	-89.1	-173.4	-178.4	167.9	1.7	113.7	K38 V39 L43 A44	K38-R41 PolarHBondContact O-N 2.64Å; V39-R41 VanDerWaalsContact C-N 3.32Å; V39-R41 PolarHBondContact O-N 3.08Å; R41-L43 VanDerWaalsContact C-N 3.34Å; R41-A44 PolarHBondContact O-N 2.6Å
42	V	34.5	Very low	41.2	Very low	107 Å²	107	128.7 Å²	128.7	65%	0.648	64%	0.637	S	S	*	*	H	α-helix	trans	-73.1	-29.9	-179.6	-178.3	0	0	0	0	111.3	A44 Q45	V42-A44 PolarHBondContact O-N 2.83Å; V42-Q45 PolarHBondContact O-N 2.79Å
43	L	36.2	Very low	43.2	Very low	85 Å²	85	124 Å²	124	45%	0.445	63%	0.625	S	S	.	*	G	3₁₀ helix	trans	-66.1	-17.8	174.7	-71.4	167.8	0	0	0	114.1	V39 R41	V39-L43 HydrophobicContact CG1-CD1 4.46Å; R41-L43 VanDerWaalsContact C-N 3.34Å
44	A	36.4	Very low	45.7	Very low	78 Å²	78	121.6 Å²	121.6	65%	0.645	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-83.2	-11.2	-177.2	0	0	0	0	0	114.5	R41 V42 H46	R41-A44 PolarHBondContact O-N 2.6Å; V42-A44 PolarHBondContact O-N 2.83Å; A44-H46 VanDerWaalsContact C-N 3.32Å; A44-H46 PolarHBondContact O-N 3.35Å
45	Q	34.2	Very low	48.4	Very low	164 Å²	164	118.1 Å²	118.1	77%	0.766	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-83.8	-1.6	-174.3	-73.2	-172.1	-20.9	0	0	114.9	V42	V42-Q45 PolarHBondContact O-N 2.79Å
46	H	43.6	Very low	50.9	Low	145 Å²	145	114.1 Å²	114.1	67%	0.671	56%	0.564	S	S	*	*	S	Bend	trans	-123.9	98.8	167.2	-71	75.1	0	0	0	108.3	A44 T48 R79	A44-H46 VanDerWaalsContact C-N 3.32Å; A44-H46 PolarHBondContact O-N 3.35Å; H46-T48 PolarHBondContact O-N 2.81Å; H46-R79 PolarHBondContact O-NH1 3.03Å
47	S	44.3	Very low	53.7	Low	114 Å²	114	109.2 Å²	109.2	80%	0.797	55%	0.546	S	S	*	.			trans	-46.8	113.7	-179.7	54	0	0	0	0	110.4
48	T	52.7	Low	56.6	Low	43 Å²	43	99 Å²	99	26%	0.264	51%	0.507	S	S	.	.			trans	-59.1	138.3	159.4	42.8	0	0	0	0	107.1	H46 F50	H46-T48 PolarHBondContact O-N 2.81Å; T48-F50 WeakPolarHBondContact CB-O 3.43Å; T48-F50 PolarHBondContact O-N 2.72Å; T48-F50 PolarHBondContact OG1-O 3.23Å
49	P	59.4	Low	59.7	Low	77 Å²	77	91.1 Å²	91.1	50%	0.5	48%	0.475	S	S	.	.	S	Bend	trans	-63.6	-10.3	175.2	21.4	-28.4	0	0	0	112.8
50	F	63.4	Low	62.5	Low	27 Å²	27	86.9 Å²	86.9	12%	0.118	45%	0.45	C	S	.	.			trans	-114.9	128	177.1	-55.4	-79.9	0	0	0	109.9	T48 T54 W71 A422 H454	T48-F50 WeakPolarHBondContact CB-O 3.43Å; T48-F50 PolarHBondContact O-N 2.72Å; T48-F50 PolarHBondContact OG1-O 3.23Å; F50-T54 HydrophobicContact CD1-CG2 4.13Å; F50-W71 HydrophobicContact CB-CB 3.64Å; F50-W71 HydrophobicContact CB-CG 4.29Å; F50-W71 HydrophobicContact CD1-CB 3.59Å; F50-W71 AromaticContact CD1-CD1 3.48Å; F50-W71 VanDerWaalsContact CD1-CD1 3.48Å; F50-W71 AromaticContact CD1-CD2 3.62Å; F50-W71 HydrophobicContact CD1-CD2 3.62Å; F50-W71 HydrophobicContact CD1-CE3 4.33Å; F50-W71 AromaticContact CD1-CG 3.25Å; F50-W71 HydrophobicContact CD1-CG 3.25Å; F50-W71 AromaticContact CD1-NE1 3.89Å; F50-W71 AromaticContact CE1-CD1 3.78Å; F50-W71 AromaticContact CE1-CD2 3.66Å; F50-W71 HydrophobicContact CE1-CD2 3.66Å; F50-W71 AromaticContact CE1-CE2 3.61Å; F50-W71 HydrophobicContact CE1-CE3 4.31Å; F50-W71 AromaticContact CE1-CG 3.75Å; F50-W71 HydrophobicContact CE1-CG 3.75Å; F50-W71 HydrophobicContact CE1-CZ2 4.2Å; F50-W71 AromaticContact CE1-NE1 3.67Å; F50-W71 HydrophobicContact CG-CB 3.78Å; F50-W71 HydrophobicContact CG-CD2 4.2Å; F50-W71 AromaticContact CG-CG 3.89Å; F50-W71 HydrophobicContact CG-CG 3.89Å; F50-W71 HydrophobicContact CZ-CD2 4.3Å; F50-A422 HydrophobicContact CB-CB 4.26Å; F50-A422 HydrophobicContact CD2-CB 3.67Å; F50-A422 HydrophobicContact CE2-CB 4.37Å; F50-A422 HydrophobicContact CG-CB 4.11Å; F50-H454 HydrophobicContact CD2-CB 4.37Å; F50-H454 HydrophobicContact CE2-CB 3.62Å; F50-H454 AromaticContact CE2-CD2 3.4Å; F50-H454 VanDerWaalsContact CE2-CD2 3.4Å; F50-H454 WeakPolarHBondContact CE2-CD2 3.47Å; F50-H454 AromaticContact CE2-CG 3.37Å; F50-H454 AromaticContact CE2-ND1 3.9Å; F50-H454 AromaticContact CE2-NE2 3.93Å; F50-H454 HydrophobicContact CZ-CB 4.15Å; F50-H454 AromaticContact CZ-CD2 3.74Å
51	D	67.8	Low	65.4	Low	84 Å²	84	76.9 Å²	76.9	45%	0.449	41%	0.413	S	S	.	.			trans	-98.9	167.2	155.2	68.8	28.6	0	0	0	109.1	T53 T54	D51-T53 PolarHBondContact O-N 3.41Å; D51-T53 VanDerWaalsContact O-N 3.08Å; D51-T53 WeakPolarHBondContact OD1-CA 3.11Å; D51-T53 VanDerWaalsContact OD1-CB 3.26Å; D51-T53 WeakPolarHBondContact OD1-CB 3.26Å; D51-T53 PolarHBondContact OD1-N 2.98Å; D51-T53 PolarHBondContact OD1-OG1 3.49Å; D51-T53 PolarHBondContact OD2-OG1 3.18Å; D51-T54 PolarHBondContact O-N 3.33Å; D51-T54 VanDerWaalsContact O-N 3.11Å; D51-T54 PolarHBondContact OD1-N 3.46Å; D51-T54 PolarHBondContact OD1-OG1 2.88Å
52	E	68.2	Low	68.4	Low	135 Å²	135	69.9 Å²	69.9	63%	0.631	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-3.7	178.8	-66.6	-178.8	172.5	0	0	113.6	T70 W71	E52-T70 WeakPolarHBondContact O-CB 3.21Å; E52-T70 VanDerWaalsContact O-CG2 3.29Å; E52-T70 WeakPolarHBondContact O-CG2 3.29Å; E52-T70 PolarHBondContact O-OG1 3.24Å; E52-W71 WeakPolarHBondContact CA-O 3.48Å
53	T	72.6	Confident	71.2	Confident	103 Å²	103	66 Å²	66	63%	0.632	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-16.2	175.1	81.2	0	0	0	0	112.3	D51 H55	D51-T53 PolarHBondContact O-N 3.41Å; D51-T53 VanDerWaalsContact O-N 3.08Å; D51-T53 WeakPolarHBondContact OD1-CA 3.11Å; D51-T53 VanDerWaalsContact OD1-CB 3.26Å; D51-T53 WeakPolarHBondContact OD1-CB 3.26Å; D51-T53 PolarHBondContact OD1-N 2.98Å; D51-T53 PolarHBondContact OD1-OG1 3.49Å; D51-T53 PolarHBondContact OD2-OG1 3.18Å; T53-H55 PolarHBondContact O-CD2 3.05Å; T53-H55 PolarHBondContact O-N 2.74Å
54	T	82.9	Confident	73.7	Confident	51 Å²	51	65 Å²	65	31%	0.313	38%	0.383	S	S	.	.	S	Bend	trans	-70	117.6	176.5	-56.3	0	0	0	0	110.5	F50 D51 T70 W71	F50-T54 HydrophobicContact CD1-CG2 4.13Å; D51-T54 PolarHBondContact O-N 3.33Å; D51-T54 VanDerWaalsContact O-N 3.11Å; D51-T54 PolarHBondContact OD1-N 3.46Å; D51-T54 PolarHBondContact OD1-OG1 2.88Å; T54-T70 CarbonylContact O-C 3.57Å; T54-T70 VanDerWaalsContact O-CA 3.27Å; T54-T70 WeakPolarHBondContact O-CA 3.46Å; T54-T70 WeakPolarHBondContact O-CB 3.23Å; T54-W71 PolarHBondContact O-N 3.02Å
55	H	89.7	Confident	76.4	Confident	91 Å²	91	65.7 Å²	65.7	42%	0.421	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-69.8	145.7	178.2	-60.7	-178.3	0	0	0	112.1	T53 N57 V68 W71	T53-H55 PolarHBondContact O-CD2 3.05Å; T53-H55 PolarHBondContact O-N 2.74Å; H55-N57 VanDerWaalsContact C-N 3.26Å; H55-N57 PolarHBondContact O-N 3.04Å; H55-N57 PolarHBondContact O-ND2 2.92Å; H55-V68 HydrophobicContact CB-CG1 4.35Å; H55-W71 PolarHBondContact O-NE1 3.39Å
56	C	89	Confident	79	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.014	37%	0.374	C	S	.	.			trans	-76.5	-13.5	173.4	-63.7	0	0	0	0	113.6	D58 R69 T70 S424 L452	C56-D58 PolarHBondContact O-N 2.7Å; C56-R69 HydrophobicContact CB-CB 4.23Å; C56-R69 PolarHBondContact N-O 3.1Å; C56-T70 PolarHBondContact SG-O 3.03Å; C56-T70 VanDerWaalsContact SG-O 3.37Å; C56-S424 VanDerWaalsContact SG-CA 3.56Å; C56-S424 WeakPolarHBondContact SG-CB 3.48Å; C56-L452 HydrophobicContact CB-CD1 4.41Å
57	N	91.6	Very high	81.3	Confident	73 Å²	73	55.1 Å²	55.1	39%	0.39	34%	0.344	S	S	.	.			trans	58.3	27.8	178.7	-55.2	-54	0	0	0	114.8	H55 V62 T133	H55-N57 VanDerWaalsContact C-N 3.26Å; H55-N57 PolarHBondContact O-N 3.04Å; H55-N57 PolarHBondContact O-ND2 2.92Å; N57-V62 HydrophobicContact CB-CG2 4.42Å; N57-T133 WeakPolarHBondContact O-CB 3.26Å; N57-T133 PolarHBondContact O-OG1 3.24Å
58	D	95.1	Very high	83.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	32%	0.324	C	S	.	.			trans	-69.5	164.5	166.5	67.9	-67.1	0	0	0	111.1	C56 I60 S61 V62 R69 L134 P450	C56-D58 PolarHBondContact O-N 2.7Å; D58-I60 VanDerWaalsContact C-N 3.3Å; D58-I60 PolarHBondContact O-N 3Å; D58-I60 WeakPolarHBondContact OD2-CB 3.41Å; D58-I60 PolarHBondContact OD2-N 2.9Å; D58-S61 PolarHBondContact O-N 3.31Å; D58-S61 WeakPolarHBondContact OD1-CB 3.29Å; D58-S61 PolarHBondContact OD1-OG 2.95Å; D58-S61 PolarHBondContact OD2-N 2.84Å; D58-V62 WeakPolarHBondContact O-CG2 3.3Å; D58-V62 PolarHBondContact O-N 3.25Å; D58-R69 WeakPolarHBondContact OD2-CD 3.21Å; D58-R69 IonicContact OD2-NH1 3.27Å; D58-L134 HydrophobicContact CB-CD2 3.9Å; D58-P450 HydrophobicContact CB-CG 4.03Å
59	A	95.5	Very high	85.6	Confident	12 Å²	12	50.6 Å²	50.6	10%	0.099	31%	0.312	C	S	.	.	H	α-helix	trans	-60.1	-38.8	-172.4	0	0	0	0	0	113.1	V62 A63 E130 Y443	A59-V62 PolarHBondContact O-N 3.19Å; A59-A63 WeakPolarHBondContact O-CB 3.19Å; A59-A63 PolarHBondContact O-N 3.08Å; A59-E130 HydrophobicContact CB-CB 4.23Å; A59-E130 HydrophobicContact CB-CG 4.05Å; A59-E130 VanDerWaalsContact CB-OE1 3.3Å; A59-E130 WeakPolarHBondContact CB-OE1 3.12Å; A59-E130 WeakPolarHBondContact CB-OE2 3.24Å; A59-E130 PolarHBondContact N-OE1 3.41Å; A59-Y443 WeakPolarHBondContact CB-O 3.34Å
60	I	93.2	Very high	87.3	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-65.8	-47.2	179.6	-71	-176	0	0	0	110.5	D58 V62 A63 V67 L427 I432 V436 L439 L449	D58-I60 VanDerWaalsContact C-N 3.3Å; D58-I60 PolarHBondContact O-N 3Å; D58-I60 WeakPolarHBondContact OD2-CB 3.41Å; D58-I60 PolarHBondContact OD2-N 2.9Å; I60-V62 VanDerWaalsContact C-N 3.32Å; I60-V62 PolarHBondContact O-N 2.99Å; I60-A63 VanDerWaalsContact O-CB 3.32Å; I60-A63 WeakPolarHBondContact O-CB 3.35Å; I60-A63 PolarHBondContact O-N 2.93Å; I60-V67 HydrophobicContact CG2-CG1 3.37Å; I60-L427 HydrophobicContact CD1-CD1 4.31Å; I60-L427 HydrophobicContact CG2-CD1 4.01Å; I60-I432 HydrophobicContact CD1-CG2 4.49Å; I60-V436 HydrophobicContact CD1-CG2 3.88Å; I60-V436 HydrophobicContact CG1-CG1 4.4Å; I60-V436 HydrophobicContact CG1-CG2 4.15Å; I60-V436 HydrophobicContact CG2-CG1 4.08Å; I60-L439 HydrophobicContact CD1-CD2 4.37Å; I60-L449 HydrophobicContact CD1-CD1 4.43Å; I60-L449 HydrophobicContact CD1-CD2 3.38Å; I60-L449 HydrophobicContact CG1-CD2 4.3Å
61	S	93.3	Very high	88.8	Confident	9 Å²	9	47.7 Å²	47.7	6%	0.063	29%	0.293	C	S	.	.	H	α-helix	trans	-59.6	-42.5	175.8	-61.3	0	0	0	0	112.5	D58 A63 G64 R69	D58-S61 PolarHBondContact O-N 3.31Å; D58-S61 WeakPolarHBondContact OD1-CB 3.29Å; D58-S61 PolarHBondContact OD1-OG 2.95Å; D58-S61 PolarHBondContact OD2-N 2.84Å; S61-A63 VanDerWaalsContact C-N 3.28Å; S61-A63 PolarHBondContact O-N 3.43Å; S61-G64 PolarHBondContact O-N 3.47Å; S61-R69 PolarHBondContact OG-N 3.21Å
62	V	93.2	Very high	89.9	Confident	67 Å²	67	49.9 Å²	49.9	41%	0.406	30%	0.295	S	S	.	.	H	α-helix	trans	-73.1	-20.9	-179.1	174.7	0	0	0	0	112.2	N57 D58 A59 I60 G64	N57-V62 HydrophobicContact CB-CG2 4.42Å; D58-V62 WeakPolarHBondContact O-CG2 3.3Å; D58-V62 PolarHBondContact O-N 3.25Å; A59-V62 PolarHBondContact O-N 3.19Å; I60-V62 VanDerWaalsContact C-N 3.32Å; I60-V62 PolarHBondContact O-N 2.99Å; V62-G64 PolarHBondContact O-N 3.38Å
63	A	92.1	Very high	91.1	Very high	26 Å²	26	46.1 Å²	46.1	22%	0.215	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.2	177.9	0	0	0	0	0	113.5	A59 I60 S61 K65 Y443	A59-A63 WeakPolarHBondContact O-CB 3.19Å; A59-A63 PolarHBondContact O-N 3.08Å; I60-A63 VanDerWaalsContact O-CB 3.32Å; I60-A63 WeakPolarHBondContact O-CB 3.35Å; I60-A63 PolarHBondContact O-N 2.93Å; S61-A63 VanDerWaalsContact C-N 3.28Å; S61-A63 PolarHBondContact O-N 3.43Å; A63-K65 HydrophobicContact CB-CG 4Å; A63-K65 PolarHBondContact O-N 3.48Å; A63-Y443 HydrophobicContact CB-CD1 3.66Å; A63-Y443 HydrophobicContact CB-CD2 4.26Å; A63-Y443 HydrophobicContact CB-CE1 4.39Å; A63-Y443 HydrophobicContact CB-CG 3.6Å
64	G	89.9	Confident	91.8	Very high	63 Å²	63	42.8 Å²	42.8	65%	0.649	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	33.5	178.5	0	0	0	0	0	113.4	S61 V62	S61-G64 PolarHBondContact O-N 3.47Å; V62-G64 PolarHBondContact O-N 3.38Å
65	K	92.3	Very high	91.3	Very high	93 Å²	93	45.2 Å²	45.2	40%	0.404	29%	0.287	S	S	.	.	S	Bend	trans	-96.8	21.2	-176.3	-62.8	-56.3	-172.1	175.7	0	114.8	A63 T435 V436 Y443	A63-K65 HydrophobicContact CB-CG 4Å; A63-K65 PolarHBondContact O-N 3.48Å; K65-T435 VanDerWaalsContact O-CB 3.3Å; K65-T435 WeakPolarHBondContact O-CB 3.41Å; K65-T435 WeakPolarHBondContact O-CG2 3.31Å; K65-V436 HydrophobicContact CB-CG1 3.89Å; K65-V436 HydrophobicContact CG-CG1 4.08Å; K65-Y443 WeakPolarHBondContact CE-OH 3.17Å; K65-Y443 HydrophobicContact CG-CE2 4.25Å; K65-Y443 PolarHBondContact NZ-OH 3.42Å
66	G	90.1	Very high	90.2	Very high	78 Å²	78	41.7 Å²	41.7	80%	0.804	27%	0.272	S	S	*	.	S	Bend	trans	87.8	2	175.2	0	0	0	0	0	115.2
67	V	91	Very high	88.6	Confident	9 Å²	9	46.9 Å²	46.9	6%	0.055	31%	0.307	C	S	.	.			trans	-120.8	136	168.4	59.6	0	0	0	0	109.3	I60 L427 Q431 T435	I60-V67 HydrophobicContact CG2-CG1 3.37Å; V67-L427 HydrophobicContact CG2-CD1 3.95Å; V67-L427 HydrophobicContact CG2-CD2 3.39Å; V67-L427 HydrophobicContact CG2-CG 4.31Å; V67-Q431 HydrophobicContact CG2-CB 4.38Å; V67-T435 HydrophobicContact CB-CG2 3.99Å; V67-T435 HydrophobicContact CG1-CG2 3.93Å; V67-T435 WeakPolarHBondContact CG1-OG1 3.36Å
68	V	93.1	Very high	86.9	Confident	61 Å²	61	46.7 Å²	46.7	37%	0.37	30%	0.303	S	S	.	.			trans	-137.9	129.7	179.9	179	0	0	0	0	108.2	H55 T70	H55-V68 HydrophobicContact CB-CG1 4.35Å; V68-T70 HydrophobicContact CG1-CG2 4.13Å
69	R	94.5	Very high	84.9	Confident	1 Å²	1	49.4 Å²	49.4	0%	0.004	31%	0.314	C	S	.	.			trans	-89.6	131.5	169.5	-62.5	172.5	66.6	-161.7	1.1	109.3	C56 D58 S61 S424 S425 L427 P450	C56-R69 HydrophobicContact CB-CB 4.23Å; C56-R69 PolarHBondContact N-O 3.1Å; D58-R69 WeakPolarHBondContact OD2-CD 3.21Å; D58-R69 IonicContact OD2-NH1 3.27Å; S61-R69 PolarHBondContact OG-N 3.21Å; R69-S424 PolarHBondContact NH2-OG 3.18Å; R69-S425 WeakPolarHBondContact CA-OG 3.4Å; R69-S425 WeakPolarHBondContact CB-OG 3.32Å; R69-S425 PolarHBondContact NE-O 3.14Å; R69-S425 PolarHBondContact NH2-O 3.28Å; R69-L427 HydrophobicContact CG-CD1 3.98Å; R69-L427 HydrophobicContact CG-CD2 3.68Å; R69-L427 HydrophobicContact CG-CG 3.7Å; R69-P450 VanDerWaalsContact CZ-O 3.25Å; R69-P450 PolarHBondContact NH1-O 3.05Å; R69-P450 PolarHBondContact NH2-O 3.06Å
70	T	94.7	Very high	82.7	Confident	28 Å²	28	53.5 Å²	53.5	17%	0.172	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-120.7	160	-179.4	63.3	0	0	0	0	110.8	E52 T54 C56 V68 R72 S425	E52-T70 WeakPolarHBondContact O-CB 3.21Å; E52-T70 VanDerWaalsContact O-CG2 3.29Å; E52-T70 WeakPolarHBondContact O-CG2 3.29Å; E52-T70 PolarHBondContact O-OG1 3.24Å; T54-T70 CarbonylContact O-C 3.57Å; T54-T70 VanDerWaalsContact O-CA 3.27Å; T54-T70 WeakPolarHBondContact O-CA 3.46Å; T54-T70 WeakPolarHBondContact O-CB 3.23Å; C56-T70 PolarHBondContact SG-O 3.03Å; C56-T70 VanDerWaalsContact SG-O 3.37Å; V68-T70 HydrophobicContact CG1-CG2 4.13Å; T70-R72 PolarHBondContact O-N 2.94Å; T70-S425 PolarHBondContact N-OG 3.28Å; T70-S425 WeakPolarHBondContact O-CB 3.46Å; T70-S425 PolarHBondContact O-N 3.27Å; T70-S425 PolarHBondContact O-OG 2.86Å
71	W	94.9	Very high	80.9	Confident	14 Å²	14	59.9 Å²	59.9	5%	0.053	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	123.2	174.1	-73	96.2	0	0	0	110.2	F50 E52 T54 H55 T91 A422 N423 L452 H454	F50-W71 HydrophobicContact CB-CB 3.64Å; F50-W71 HydrophobicContact CB-CG 4.29Å; F50-W71 HydrophobicContact CD1-CB 3.59Å; F50-W71 AromaticContact CD1-CD1 3.48Å; F50-W71 VanDerWaalsContact CD1-CD1 3.48Å; F50-W71 AromaticContact CD1-CD2 3.62Å; F50-W71 HydrophobicContact CD1-CD2 3.62Å; F50-W71 HydrophobicContact CD1-CE3 4.33Å; F50-W71 AromaticContact CD1-CG 3.25Å; F50-W71 HydrophobicContact CD1-CG 3.25Å; F50-W71 AromaticContact CD1-NE1 3.89Å; F50-W71 AromaticContact CE1-CD1 3.78Å; F50-W71 AromaticContact CE1-CD2 3.66Å; F50-W71 HydrophobicContact CE1-CD2 3.66Å; F50-W71 AromaticContact CE1-CE2 3.61Å; F50-W71 HydrophobicContact CE1-CE3 4.31Å; F50-W71 AromaticContact CE1-CG 3.75Å; F50-W71 HydrophobicContact CE1-CG 3.75Å; F50-W71 HydrophobicContact CE1-CZ2 4.2Å; F50-W71 AromaticContact CE1-NE1 3.67Å; F50-W71 HydrophobicContact CG-CB 3.78Å; F50-W71 HydrophobicContact CG-CD2 4.2Å; F50-W71 AromaticContact CG-CG 3.89Å; F50-W71 HydrophobicContact CG-CG 3.89Å; F50-W71 HydrophobicContact CZ-CD2 4.3Å; E52-W71 WeakPolarHBondContact CA-O 3.48Å; T54-W71 PolarHBondContact O-N 3.02Å; H55-W71 PolarHBondContact O-NE1 3.39Å; W71-T91 HydrophobicContact CH2-CG2 3.63Å; W71-T91 HydrophobicContact CZ2-CG2 4.18Å; W71-A422 HydrophobicContact CE3-CB 3.96Å; W71-N423 CarbonylContact C-O 3.52Å; W71-N423 WeakPolarHBondContact CA-O 3.46Å; W71-L452 HydrophobicContact CH2-CB 3.47Å; W71-L452 VanDerWaalsContact CH2-CB 3.47Å; W71-L452 HydrophobicContact CH2-CD2 4.17Å; W71-L452 HydrophobicContact CH2-CG 4.44Å; W71-L452 HydrophobicContact CZ2-CB 4.07Å; W71-L452 HydrophobicContact CZ2-CD2 4.06Å; W71-L452 HydrophobicContact CZ3-CB 4.04Å; W71-H454 HydrophobicContact CZ3-CB 4.15Å
72	R	92.1	Very high	79.5	Confident	130 Å²	130	60.8 Å²	60.8	49%	0.491	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.3	174.5	-64.7	-174.2	176.8	175.5	1.4	109.7	T70 V74 A422 N423 S425	T70-R72 PolarHBondContact O-N 2.94Å; R72-V74 PolarHBondContact O-N 2.86Å; R72-A422 CarbonylContact O-C 3.52Å; R72-A422 WeakPolarHBondContact O-CA 3.27Å; R72-A422 WeakPolarHBondContact O-CB 3.07Å; R72-N423 PolarHBondContact N-O 3.01Å; R72-N423 PolarHBondContact O-N 2.84Å; R72-S425 VanDerWaalsContact NE-CB 3.27Å
73	P	91.6	Very high	78.1	Confident	56 Å²	56	63.5 Å²	63.5	36%	0.364	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	134	170.2	-23.7	34.4	0	0	0	111
74	V	87.5	Confident	77.1	Confident	34 Å²	34	63.1 Å²	63.1	21%	0.206	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-97.3	122.6	173.7	176.5	0	0	0	0	108.1	R72 T76 T421 N423	R72-V74 PolarHBondContact O-N 2.86Å; V74-T76 PolarHBondContact O-N 2.98Å; V74-T76 VanDerWaalsContact O-N 3.16Å; V74-T421 PolarHBondContact N-O 3.44Å; V74-N423 HydrophobicContact CG2-CB 4.22Å; V74-N423 VanDerWaalsContact CG2-ND2 3.31Å; V74-N423 WeakPolarHBondContact CG2-ND2 3.48Å
75	A	73.9	Confident	76.7	Confident	101 Å²	101	64.2 Å²	64.2	84%	0.835	40%	0.395	S	S	*	.			trans	-69.7	109.9	175.8	0	0	0	0	0	109.6
76	T	64.9	Low	76.4	Confident	18 Å²	18	60.4 Å²	60.4	11%	0.11	38%	0.381	C	S	.	.			trans	-101.7	130.1	177.6	57.8	0	0	0	0	111.2	V74 H78 R79 N419 C420	V74-T76 PolarHBondContact O-N 2.98Å; V74-T76 VanDerWaalsContact O-N 3.16Å; T76-H78 VanDerWaalsContact C-N 3.27Å; T76-H78 PolarHBondContact O-N 3.3Å; T76-R79 PolarHBondContact O-N 2.78Å; T76-N419 HydrophobicContact CG2-CB 4.34Å; T76-C420 WeakPolarHBondContact CG2-O 3.42Å
77	C	55.2	Low	76.3	Confident	111 Å²	111	57.5 Å²	57.5	75%	0.75	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-59.4	-33.4	175	29.2	0	0	0	0	113.3	R79	C77-R79 VanDerWaalsContact C-N 3.32Å; C77-R79 PolarHBondContact O-N 2.54Å
78	H	56.2	Low	76.3	Confident	68 Å²	68	58 Å²	58	32%	0.315	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-78.6	-6.2	-174.5	-60.5	-61.3	0	0	0	115.4	T76 A80 E81 L82 I417	T76-H78 VanDerWaalsContact C-N 3.27Å; T76-H78 PolarHBondContact O-N 3.3Å; H78-A80 VanDerWaalsContact C-N 3.26Å; H78-A80 PolarHBondContact O-N 2.89Å; H78-E81 IonicContact ND1-OE2 3.86Å; H78-E81 PolarHBondContact O-N 3.06Å; H78-E81 VanDerWaalsContact O-N 3.16Å; H78-L82 WeakPolarHBondContact O-CG 3.15Å; H78-I417 HydrophobicContact CB-CD1 4.42Å
79	R	53.1	Low	76.4	Confident	57 Å²	57	57.4 Å²	57.4	22%	0.215	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-65.3	-30.3	-173.6	-158.1	179.1	-109.1	-136.8	-10	113	H46 T76 C77 E81	H46-R79 PolarHBondContact O-NH1 3.03Å; T76-R79 PolarHBondContact O-N 2.78Å; C77-R79 VanDerWaalsContact C-N 3.32Å; C77-R79 PolarHBondContact O-N 2.54Å; R79-E81 VanDerWaalsContact C-N 3.27Å; R79-E81 PolarHBondContact O-N 2.91Å
80	A	50	Low	76.5	Confident	99 Å²	99	57.4 Å²	57.4	82%	0.818	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-71.2	-20.7	178.6	0	0	0	0	0	113.6	H78	H78-A80 VanDerWaalsContact C-N 3.26Å; H78-A80 PolarHBondContact O-N 2.89Å
81	E	54.9	Low	76.6	Confident	134 Å²	134	56.9 Å²	56.9	63%	0.626	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-96.1	-9.5	-176.8	-63.7	175.3	169.6	0	0	112.8	H78 R79 S83	H78-E81 IonicContact ND1-OE2 3.86Å; H78-E81 PolarHBondContact O-N 3.06Å; H78-E81 VanDerWaalsContact O-N 3.16Å; R79-E81 VanDerWaalsContact C-N 3.27Å; R79-E81 PolarHBondContact O-N 2.91Å; E81-S83 PolarHBondContact O-N 3.18Å
82	L	63.8	Low	76.8	Confident	29 Å²	29	56.2 Å²	56.2	15%	0.152	34%	0.343	C	S	.	.			trans	-89.5	91.1	-174.5	-71	166.9	0	0	0	110.9	H78 I417 N419 F458 L460	H78-L82 WeakPolarHBondContact O-CG 3.15Å; L82-I417 HydrophobicContact CD2-CD1 4.37Å; L82-N419 WeakPolarHBondContact CD1-ND2 3.35Å; L82-F458 HydrophobicContact CB-CE1 4.48Å; L82-F458 HydrophobicContact CD1-CD1 4.06Å; L82-F458 HydrophobicContact CD1-CD2 3.86Å; L82-F458 HydrophobicContact CD1-CE1 3.93Å; L82-F458 HydrophobicContact CD1-CE2 3.73Å; L82-F458 HydrophobicContact CD1-CG 4.02Å; L82-F458 HydrophobicContact CD1-CZ 3.77Å; L82-F458 HydrophobicContact CD2-CB 3.73Å; L82-F458 HydrophobicContact CD2-CD1 3.68Å; L82-F458 HydrophobicContact CD2-CD2 4.22Å; L82-F458 HydrophobicContact CD2-CE1 4.31Å; L82-F458 HydrophobicContact CD2-CG 3.62Å; L82-F458 HydrophobicContact CG-CD1 4.33Å; L82-F458 HydrophobicContact CG-CE1 4.49Å; L82-F458 HydrophobicContact CG-CG 4.45Å; L82-L460 HydrophobicContact CD2-CD2 3.47Å; L82-L460 VanDerWaalsContact CD2-CD2 3.47Å
83	S	64.4	Low	77.1	Confident	123 Å²	123	50 Å²	50	86%	0.86	32%	0.32	S	S	*	.			trans	-76	-25.2	169.5	59.4	0	0	0	0	112.6	E81	E81-S83 PolarHBondContact O-N 3.18Å
84	S	71.2	Confident	77.5	Confident	19 Å²	19	47.4 Å²	47.4	13%	0.133	30%	0.303	C	S	.	.	S	Bend	trans	-90.1	142.2	-177.1	68.5	0	0	0	0	112.2	Q459	S84-Q459 PolarHBondContact OG-O 3.49Å
85	P	81.4	Confident	78	Confident	85 Å²	85	45.8 Å²	45.8	55%	0.552	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-69.3	147.9	175.1	30.3	-35.6	0	0	0	110.7	L87	P85-L87 PolarHBondContact O-N 2.99Å
86	A	86.5	Confident	79.2	Confident	13 Å²	13	41 Å²	41	11%	0.107	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-52.9	135.2	175.6	0	0	0	0	0	111.3	C88 R219 E456 Y457 F458	A86-C88 VanDerWaalsContact C-N 3.34Å; A86-R219 PolarHBondContact O-NH1 2.66Å; A86-E456 HydrophobicContact CB-CB 4.09Å; A86-E456 HydrophobicContact CB-CG 4.42Å; A86-Y457 CarbonylContact C-O 3.59Å; A86-F458 VanDerWaalsContact CA-CE1 3.5Å; A86-F458 HydrophobicContact CB-CD1 4.06Å; A86-F458 HydrophobicContact CB-CE1 3.61Å; A86-F458 HydrophobicContact CB-CE2 4.35Å; A86-F458 HydrophobicContact CB-CZ 3.76Å
87	L	87.1	Confident	80.8	Confident	18 Å²	18	40.2 Å²	40.2	9%	0.094	25%	0.248	C	C	.	.	S	Bend	trans	-69.6	-36.2	175.7	-70.6	-176.6	0	0	0	111.5	P85 A218 R219 Y457 Q459	P85-L87 PolarHBondContact O-N 2.99Å; L87-A218 HydrophobicContact CB-CB 4.17Å; L87-A218 WeakPolarHBondContact O-CA 3.17Å; L87-R219 HydrophobicContact CD2-CB 4.41Å; L87-R219 PolarHBondContact O-N 3.49Å; L87-R219 VanDerWaalsContact O-N 3.14Å; L87-Y457 HydrophobicContact CB-CD1 4.35Å; L87-Y457 HydrophobicContact CD1-CD1 4.14Å; L87-Y457 HydrophobicContact CD1-CE1 4.22Å; L87-Y457 PolarHBondContact N-O 2.78Å; L87-Q459 HydrophobicContact CD1-CB 3.52Å; L87-Q459 HydrophobicContact CG-CB 4.22Å
88	C	91.6	Very high	82.9	Confident	19 Å²	19	35 Å²	35	13%	0.128	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	150.1	-179.8	-174.4	0	0	0	0	109.4	A86 L215 Y457	A86-C88 VanDerWaalsContact C-N 3.34Å; C88-L215 HydrophobicContact CB-CD2 3.76Å; C88-Y457 PolarHBondContact O-N 3.29Å
89	S	93.9	Very high	84.9	Confident	48 Å²	48	31.8 Å²	31.8	34%	0.336	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	147.1	166.4	65.3	0	0	0	0	110.4	K184 F455	S89-K184 PolarHBondContact O-NZ 2.83Å; S89-F455 CarbonylContact C-O 3.6Å; S89-F455 WeakPolarHBondContact CA-O 3.35Å
90	F	96.9	Very high	87	Confident	1 Å²	1	29.9 Å²	29.9	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	155.4	-178.5	61.3	-89.4	0	0	0	112.5	V92 D137 I138 K184 F185 V235 L418 F455	F90-V92 HydrophobicContact CD2-CG2 3.81Å; F90-V92 HydrophobicContact CE2-CG2 3.65Å; F90-D137 VanDerWaalsContact CA-OD2 3.23Å; F90-D137 WeakPolarHBondContact CA-OD2 3.14Å; F90-D137 HydrophobicContact CB-CB 3.97Å; F90-I138 HydrophobicContact CD2-CD1 3.88Å; F90-I138 HydrophobicContact CE2-CD1 3.96Å; F90-K184 HydrophobicContact CB-CD 4.33Å; F90-F185 HydrophobicContact CB-CE2 4.09Å; F90-F185 HydrophobicContact CB-CZ 3.84Å; F90-F185 HydrophobicContact CD1-CE1 4.5Å; F90-F185 AromaticContact CD1-CZ 3.8Å; F90-F185 HydrophobicContact CD1-CZ 3.8Å; F90-F185 HydrophobicContact CD2-CZ 4.06Å; F90-F185 HydrophobicContact CE1-CZ 4.33Å; F90-F185 HydrophobicContact CG-CE2 4.31Å; F90-F185 AromaticContact CG-CZ 3.64Å; F90-F185 HydrophobicContact CG-CZ 3.64Å; F90-V235 HydrophobicContact CZ-CG2 4.33Å; F90-L418 HydrophobicContact CE1-CD1 3.89Å; F90-L418 HydrophobicContact CZ-CD1 3.66Å; F90-F455 HydrophobicContact CD1-CB 4.45Å; F90-F455 HydrophobicContact CD2-CB 4.28Å; F90-F455 HydrophobicContact CD2-CD2 4.44Å; F90-F455 HydrophobicContact CE1-CB 4.09Å; F90-F455 HydrophobicContact CE2-CB 3.9Å; F90-F455 AromaticContact CE2-CD2 3.99Å; F90-F455 HydrophobicContact CE2-CD2 3.99Å; F90-F455 HydrophobicContact CE2-CG 4.19Å; F90-F455 HydrophobicContact CZ-CB 3.81Å; F90-F455 HydrophobicContact CZ-CG 4.34Å; F90-F455 PolarHBondContact N-O 3Å; F90-F455 PolarHBondContact O-N 3.45Å
91	T	97.9	Very high	89.3	Confident	18 Å²	18	27.3 Å²	27.3	11%	0.11	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138.5	175.7	-57.3	0	0	0	0	110.9	W71 A136 D137 I138 L452 A453	W71-T91 HydrophobicContact CH2-CG2 3.63Å; W71-T91 HydrophobicContact CZ2-CG2 4.18Å; T91-A136 HydrophobicContact CG2-CB 3.89Å; T91-D137 PolarHBondContact N-OD2 2.84Å; T91-D137 WeakPolarHBondContact O-CA 3.23Å; T91-D137 WeakPolarHBondContact O-CB 3.39Å; T91-D137 PolarHBondContact O-N 2.83Å; T91-I138 PolarHBondContact O-N 3.18Å; T91-L452 HydrophobicContact CG2-CB 4.49Å; T91-L452 HydrophobicContact CG2-CD2 4.17Å; T91-A453 CarbonylContact C-O 3.56Å; T91-A453 WeakPolarHBondContact CA-O 3.37Å
92	V	98.8	Very high	91.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.1	173	-176.1	0	0	0	0	109	F90 I138 V282 C284 L452 A453 F455	F90-V92 HydrophobicContact CD2-CG2 3.81Å; F90-V92 HydrophobicContact CE2-CG2 3.65Å; V92-I138 CarbonylContact C-O 3.57Å; V92-I138 WeakPolarHBondContact CA-O 3.28Å; V92-I138 HydrophobicContact CG1-CB 4.45Å; V92-I138 HydrophobicContact CG1-CG2 4.35Å; V92-I138 HydrophobicContact CG2-CB 4.24Å; V92-I138 HydrophobicContact CG2-CD1 4.22Å; V92-V282 HydrophobicContact CG1-CG1 4.14Å; V92-V282 HydrophobicContact CG2-CG1 4.34Å; V92-C284 VanDerWaalsContact CG1-SG 3.57Å; V92-L452 WeakPolarHBondContact O-CA 3.3Å; V92-A453 PolarHBondContact N-O 2.88Å; V92-A453 PolarHBondContact O-N 3.25Å; V92-F455 HydrophobicContact CB-CD2 4.35Å; V92-F455 HydrophobicContact CB-CE2 3.99Å; V92-F455 HydrophobicContact CG2-CD2 3.73Å; V92-F455 HydrophobicContact CG2-CE2 3.72Å
93	C	98.9	Very high	92.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	133	171.9	174.2	0	0	0	0	109.8	A136 I138 F139 C140 L451 L452	C93-A136 HydrophobicContact CB-CB 3.65Å; C93-I138 PolarHBondContact N-O 3.14Å; C93-F139 HydrophobicContact CB-CD1 3.65Å; C93-F139 HydrophobicContact CB-CE1 3.88Å; C93-F139 HydrophobicContact CB-CG 4.44Å; C93-F139 CarbonylContact O-C 3.39Å; C93-F139 WeakPolarHBondContact O-CA 3.48Å; C93-C140 PolarHBondContact O-N 2.99Å; C93-L451 CarbonylContact C-O 3.55Å; C93-L451 VanDerWaalsContact CA-O 3.23Å; C93-L451 WeakPolarHBondContact CA-O 3.17Å; C93-L452 HydrophobicContact CB-CD2 4.42Å; C93-L452 HydrophobicContact CB-CG 4.35Å
94	T	98.9	Very high	94.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133.7	162.3	-170.5	0	0	0	0	109.1	C140 Q142 G285 D398 I400 P450 L451	T94-C140 CarbonylContact C-O 3.54Å; T94-C140 WeakPolarHBondContact CA-O 3.49Å; T94-Q142 PolarHBondContact OG1-NE2 2.77Å; T94-G285 PolarHBondContact OG1-N 2.91Å; T94-D398 HydrophobicContact CG2-CB 4.43Å; T94-I400 HydrophobicContact CG2-CD1 4.15Å; T94-I400 HydrophobicContact CG2-CG1 3.62Å; T94-P450 WeakPolarHBondContact O-CA 3.44Å; T94-L451 HydrophobicContact CG2-CB 3.77Å; T94-L451 HydrophobicContact CG2-CD1 4.47Å; T94-L451 HydrophobicContact CG2-CG 4.37Å; T94-L451 PolarHBondContact N-O 3.08Å; T94-L451 PolarHBondContact O-N 3.31Å
95	Y	98.9	Very high	95.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	112.6	-176.4	-171.6	-162.2	0	0	0	112.2	I97 L127 E130 L131 C140 L141 Q142 S446 H448 P450	Y95-I97 HydrophobicContact CD1-CG2 3.71Å; Y95-I97 HydrophobicContact CE1-CG2 4Å; Y95-I97 HydrophobicContact CG-CG2 4.02Å; Y95-I97 PolarHBondContact O-N 2.81Å; Y95-L127 HydrophobicContact CE1-CD2 3.94Å; Y95-E130 PolarHBondContact OH-OE2 2.98Å; Y95-L131 HydrophobicContact CD1-CD2 4.19Å; Y95-C140 PolarHBondContact N-O 3.42Å; Y95-L141 VanDerWaalsContact O-CA 3.31Å; Y95-L141 WeakPolarHBondContact O-CA 3.47Å; Y95-Q142 PolarHBondContact O-N 2.95Å; Y95-Q142 VanDerWaalsContact O-N 3.12Å; Y95-Q142 PolarHBondContact O-OE1 3.27Å; Y95-S446 WeakPolarHBondContact OH-CB 3.3Å; Y95-H448 HydrophobicContact CE2-CB 4.43Å; Y95-H448 WeakPolarHBondContact CE2-O 3.25Å; Y95-P450 HydrophobicContact CD1-CB 4.13Å; Y95-P450 HydrophobicContact CD2-CB 4.06Å; Y95-P450 HydrophobicContact CG-CB 3.84Å
96	N	98.8	Very high	96.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	113.4	166.6	-175.3	-20	0	0	0	107.7	L98 Q142 E143 D286 S446 H448	N96-L98 VanDerWaalsContact C-N 3.28Å; N96-L98 PolarHBondContact OD1-N 2.82Å; N96-Q142 HydrophobicContact CB-CB 4.07Å; N96-E143 PolarHBondContact ND2-OE1 3.33Å; N96-E143 VanDerWaalsContact ND2-OE1 3.15Å; N96-E143 VanDerWaalsContact OD1-CB 3.3Å; N96-E143 WeakPolarHBondContact OD1-CB 3.44Å; N96-E143 VanDerWaalsContact OD1-CG 3.24Å; N96-E143 WeakPolarHBondContact OD1-CG 3.18Å; N96-D286 PolarHBondContact ND2-OD2 2.82Å; N96-S446 PolarHBondContact O-OG 2.74Å; N96-H448 HydrophobicContact CB-CB 4Å; N96-H448 WeakPolarHBondContact O-CB 3.46Å
97	I	98.6	Very high	96.5	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	15%	0.147	C	C	.	.			trans	-90.2	3.5	-173.2	63.7	163.8	0	0	0	112.9	Y95 R123 L127 L141 Q142 V144 F152	Y95-I97 HydrophobicContact CD1-CG2 3.71Å; Y95-I97 HydrophobicContact CE1-CG2 4Å; Y95-I97 HydrophobicContact CG-CG2 4.02Å; Y95-I97 PolarHBondContact O-N 2.81Å; I97-R123 PolarHBondContact O-NH2 2.95Å; I97-L127 HydrophobicContact CB-CD1 4.33Å; I97-L127 HydrophobicContact CB-CD2 4.03Å; I97-L127 HydrophobicContact CG2-CD2 4.26Å; I97-L141 HydrophobicContact CG2-CD2 4.1Å; I97-Q142 WeakPolarHBondContact CG1-O 3.34Å; I97-Q142 PolarHBondContact N-O 2.94Å; I97-V144 HydrophobicContact CD1-CB 4.27Å; I97-V144 HydrophobicContact CD1-CG1 4.31Å; I97-V144 HydrophobicContact CD1-CG2 3.8Å; I97-V144 HydrophobicContact CG1-CG2 4.14Å; I97-F152 HydrophobicContact CD1-CE1 3.91Å; I97-F152 HydrophobicContact CD1-CE2 3.79Å; I97-F152 HydrophobicContact CD1-CZ 3.4Å; I97-F152 VanDerWaalsContact CD1-CZ 3.4Å
98	L	98.4	Very high	96.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	16%	0.16	C	C	.	.			trans	52.5	101.4	-176.3	172.2	66.2	0	0	0	112.1	N96 Q100 C102 L103 Y110 R123 P440 D447	N96-L98 VanDerWaalsContact C-N 3.28Å; N96-L98 PolarHBondContact OD1-N 2.82Å; L98-Q100 PolarHBondContact O-N 2.9Å; L98-C102 HydrophobicContact CD1-CB 4.32Å; L98-L103 HydrophobicContact CD1-CB 4.21Å; L98-L103 HydrophobicContact CD2-CB 4.23Å; L98-L103 HydrophobicContact CD2-CD1 3.86Å; L98-L103 HydrophobicContact CD2-CG 4.27Å; L98-L103 HydrophobicContact CG-CB 4.2Å; L98-Y110 WeakPolarHBondContact CD1-OH 3.29Å; L98-Y110 HydrophobicContact CD2-CE1 3.95Å; L98-Y110 WeakPolarHBondContact CD2-OH 3.48Å; L98-R123 VanDerWaalsContact CB-NH2 3.28Å; L98-R123 PolarHBondContact O-NH1 3.39Å; L98-R123 VanDerWaalsContact O-NH1 3.08Å; L98-R123 PolarHBondContact O-NH2 3.05Å; L98-P440 HydrophobicContact CD2-CG 3.82Å; L98-D447 VanDerWaalsContact CB-OD1 3.29Å; L98-D447 WeakPolarHBondContact CB-OD1 3.17Å; L98-D447 HydrophobicContact CD2-CB 4.29Å; L98-D447 WeakPolarHBondContact CD2-OD1 3.02Å
99	S	98	Very high	96.9	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.014	16%	0.161	C	C	.	.			trans	-60.8	146.7	-179.9	65.2	0	0	0	0	110.1	S101 C102 L103 E143 D145	S99-S101 VanDerWaalsContact C-N 3.25Å; S99-S101 PolarHBondContact O-N 2.87Å; S99-C102 PolarHBondContact O-N 3.2Å; S99-C102 WeakPolarHBondContact OG-CB 3.44Å; S99-C102 PolarHBondContact OG-N 2.83Å; S99-L103 PolarHBondContact O-N 3.46Å; S99-E143 WeakPolarHBondContact CA-O 3.21Å; S99-E143 WeakPolarHBondContact CB-O 3.39Å; S99-E143 PolarHBondContact N-O 2.92Å; S99-E143 VanDerWaalsContact N-O 3.13Å; S99-E143 PolarHBondContact N-OE2 3.49Å; S99-D145 WeakPolarHBondContact CB-OD2 3.48Å
100	Q	98.3	Very high	97	Very high	17 Å²	17	24.9 Å²	24.9	8%	0.079	15%	0.146	C	C	.	.	H	α-helix	trans	-63.7	-39.9	176.7	-173.1	63.9	23	0	0	110.3	L98 C102 L103 E104 L118 W120 D145	L98-Q100 PolarHBondContact O-N 2.9Å; Q100-C102 VanDerWaalsContact C-N 3.33Å; Q100-C102 PolarHBondContact O-N 2.93Å; Q100-L103 PolarHBondContact O-N 2.97Å; Q100-E104 HydrophobicContact CG-CG 4.38Å; Q100-E104 VanDerWaalsContact CG-OE1 3.3Å; Q100-E104 WeakPolarHBondContact CG-OE1 3.45Å; Q100-E104 PolarHBondContact NE2-OE1 2.81Å; Q100-E104 WeakPolarHBondContact O-CB 3.44Å; Q100-E104 WeakPolarHBondContact O-CG 3.39Å; Q100-E104 PolarHBondContact O-N 3.35Å; Q100-L118 PolarHBondContact NE2-O 2.91Å; Q100-W120 HydrophobicContact CB-CD2 4.34Å; Q100-W120 HydrophobicContact CB-CE3 3.84Å; Q100-W120 HydrophobicContact CB-CZ3 4.49Å; Q100-W120 HydrophobicContact CG-CB 3.93Å; Q100-W120 HydrophobicContact CG-CE3 4.42Å; Q100-W120 HydrophobicContact CG-CG 4.49Å; Q100-D145 WeakPolarHBondContact CA-OD2 3.29Å; Q100-D145 PolarHBondContact N-OD2 2.87Å
101	S	97.3	Very high	96.9	Very high	44 Å²	44	31.9 Å²	31.9	31%	0.308	18%	0.179	S	C	.	.	H	α-helix	trans	-61.3	-39.4	176.4	-54.2	0	0	0	0	112.3	S99 S105 D145 N173	S99-S101 VanDerWaalsContact C-N 3.25Å; S99-S101 PolarHBondContact O-N 2.87Å; S101-S105 VanDerWaalsContact O-CB 3.31Å; S101-S105 WeakPolarHBondContact O-CB 3.23Å; S101-S105 PolarHBondContact O-N 3.49Å; S101-S105 VanDerWaalsContact O-N 3.12Å; S101-S105 PolarHBondContact O-OG 3.39Å; S101-D145 PolarHBondContact N-OD2 2.79Å; S101-D145 PolarHBondContact OG-OD1 2.79Å; S101-D145 PolarHBondContact OG-OD2 3.49Å; S101-N173 PolarHBondContact OG-ND2 3.45Å
102	C	96.2	Very high	96.7	Very high	34 Å²	34	37 Å²	37	23%	0.23	20%	0.2	C	C	.	.	H	α-helix	trans	-64.5	-53.5	174.9	-176.6	0	0	0	0	110.3	L98 S99 Q100 E104 S105 T106 E143	L98-C102 HydrophobicContact CD1-CB 4.32Å; S99-C102 PolarHBondContact O-N 3.2Å; S99-C102 WeakPolarHBondContact OG-CB 3.44Å; S99-C102 PolarHBondContact OG-N 2.83Å; Q100-C102 VanDerWaalsContact C-N 3.33Å; Q100-C102 PolarHBondContact O-N 2.93Å; C102-E104 VanDerWaalsContact C-N 3.32Å; C102-E104 PolarHBondContact O-N 3.23Å; C102-S105 PolarHBondContact O-N 2.58Å; C102-S105 PolarHBondContact O-OG 3.27Å; C102-T106 PolarHBondContact O-N 3.43Å; C102-T106 VanDerWaalsContact O-N 3.09Å; C102-T106 PolarHBondContact O-OG1 3.26Å; C102-E143 VanDerWaalsContact CB-OE2 3.32Å; C102-E143 WeakPolarHBondContact CB-OE2 3.17Å; C102-E143 PolarHBondContact SG-OE2 3.43Å
103	L	97.1	Very high	96.5	Very high	7 Å²	7	37.7 Å²	37.7	4%	0.037	21%	0.205	C	C	.	.	H	α-helix	trans	-51	-50.2	178.3	-174.2	166.5	0	0	0	111.6	L98 S99 Q100 S105 T106 A107 Y110 L118 R123	L98-L103 HydrophobicContact CD1-CB 4.21Å; L98-L103 HydrophobicContact CD2-CB 4.23Å; L98-L103 HydrophobicContact CD2-CD1 3.86Å; L98-L103 HydrophobicContact CD2-CG 4.27Å; L98-L103 HydrophobicContact CG-CB 4.2Å; S99-L103 PolarHBondContact O-N 3.46Å; Q100-L103 PolarHBondContact O-N 2.97Å; L103-S105 VanDerWaalsContact C-N 3.3Å; L103-S105 PolarHBondContact O-N 3.49Å; L103-T106 CarbonylContact O-C 3.59Å; L103-T106 VanDerWaalsContact O-C 3.31Å; L103-T106 PolarHBondContact O-N 3.28Å; L103-A107 WeakPolarHBondContact O-CA 3.22Å; L103-A107 PolarHBondContact O-N 2.9Å; L103-Y110 HydrophobicContact CB-CE2 4.3Å; L103-Y110 HydrophobicContact CD2-CD2 4.37Å; L103-Y110 HydrophobicContact CG-CD2 3.98Å; L103-Y110 HydrophobicContact CG-CE2 3.86Å; L103-L118 HydrophobicContact CD1-CB 4.41Å; L103-L118 HydrophobicContact CD1-CD2 4.18Å; L103-L118 HydrophobicContact CD2-CB 4.24Å; L103-R123 VanDerWaalsContact CD1-NH1 3.31Å
104	E	97.1	Very high	96.4	Very high	123 Å²	123	42.7 Å²	42.7	58%	0.575	23%	0.228	S	C	*	.	H	α-helix	trans	-66.5	-32.2	-178.6	-72.1	172	-178.2	0	0	112.6	Q100 C102 T106	Q100-E104 HydrophobicContact CG-CG 4.38Å; Q100-E104 VanDerWaalsContact CG-OE1 3.3Å; Q100-E104 WeakPolarHBondContact CG-OE1 3.45Å; Q100-E104 PolarHBondContact NE2-OE1 2.81Å; Q100-E104 WeakPolarHBondContact O-CB 3.44Å; Q100-E104 WeakPolarHBondContact O-CG 3.39Å; Q100-E104 PolarHBondContact O-N 3.35Å; C102-E104 VanDerWaalsContact C-N 3.32Å; C102-E104 PolarHBondContact O-N 3.23Å; E104-T106 VanDerWaalsContact C-N 3.29Å; E104-T106 PolarHBondContact O-N 3.35Å
105	S	95.2	Very high	96.3	Very high	76 Å²	76	51.5 Å²	51.5	53%	0.531	27%	0.266	S	S	.	.	H	α-helix	trans	-76.5	-14.9	177	76.1	0	0	0	0	114.3	S101 C102 L103	S101-S105 VanDerWaalsContact O-CB 3.31Å; S101-S105 WeakPolarHBondContact O-CB 3.23Å; S101-S105 PolarHBondContact O-N 3.49Å; S101-S105 VanDerWaalsContact O-N 3.12Å; S101-S105 PolarHBondContact O-OG 3.39Å; C102-S105 PolarHBondContact O-N 2.58Å; C102-S105 PolarHBondContact O-OG 3.27Å; L103-S105 VanDerWaalsContact C-N 3.3Å; L103-S105 PolarHBondContact O-N 3.49Å
106	T	94	Very high	96.2	Very high	33 Å²	33	57.3 Å²	57.3	20%	0.202	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	34.7	-178	58.8	0	0	0	0	111.5	C102 L103 E104 E108 L109	C102-T106 PolarHBondContact O-N 3.43Å; C102-T106 VanDerWaalsContact O-N 3.09Å; C102-T106 PolarHBondContact O-OG1 3.26Å; L103-T106 CarbonylContact O-C 3.59Å; L103-T106 VanDerWaalsContact O-C 3.31Å; L103-T106 PolarHBondContact O-N 3.28Å; E104-T106 VanDerWaalsContact C-N 3.29Å; E104-T106 PolarHBondContact O-N 3.35Å; T106-E108 WeakPolarHBondContact CA-OE2 3.23Å; T106-E108 PolarHBondContact O-N 3.16Å; T106-L109 HydrophobicContact CG2-CD1 4.37Å; T106-L109 VanDerWaalsContact O-CB 3.24Å; T106-L109 WeakPolarHBondContact O-CB 3.06Å; T106-L109 WeakPolarHBondContact O-CG 3.3Å; T106-L109 PolarHBondContact O-N 3.18Å
107	A	94.4	Very high	96.2	Very high	52 Å²	52	57.8 Å²	57.8	43%	0.43	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-55.5	-27.6	-172.9	0	0	0	0	0	114	L103 L109 Y110	L103-A107 WeakPolarHBondContact O-CA 3.22Å; L103-A107 PolarHBondContact O-N 2.9Å; A107-L109 PolarHBondContact O-N 3.11Å; A107-Y110 PolarHBondContact O-N 2.8Å; A107-Y110 VanDerWaalsContact O-N 3.07Å
108	E	94.1	Very high	96.1	Very high	77 Å²	77	58.9 Å²	58.9	36%	0.36	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-59.2	-23.8	174.8	67	-87.1	-157.7	0	0	113.6	T7 T106 Y110 E111	T7-E108 HydrophobicContact CG2-CG 4.12Å; T106-E108 WeakPolarHBondContact CA-OE2 3.23Å; T106-E108 PolarHBondContact O-N 3.16Å; E108-Y110 PolarHBondContact O-N 3.08Å; E108-E111 WeakPolarHBondContact O-CG 3.27Å
109	L	94	Very high	96.1	Very high	29 Å²	29	61.9 Å²	61.9	15%	0.152	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-73.3	-16.8	177.7	-66.7	-174.7	0	0	0	113	T7 T106 A107 V390 N391	T7-L109 HydrophobicContact CG2-CD2 4.18Å; T106-L109 HydrophobicContact CG2-CD1 4.37Å; T106-L109 VanDerWaalsContact O-CB 3.24Å; T106-L109 WeakPolarHBondContact O-CB 3.06Å; T106-L109 WeakPolarHBondContact O-CG 3.3Å; T106-L109 PolarHBondContact O-N 3.18Å; A107-L109 PolarHBondContact O-N 3.11Å; L109-V390 HydrophobicContact CB-CG1 3.49Å; L109-V390 VanDerWaalsContact CB-CG1 3.49Å; L109-V390 HydrophobicContact CD1-CG1 4Å; L109-V390 HydrophobicContact CD2-CG1 4.25Å; L109-V390 HydrophobicContact CG-CG1 4.12Å; L109-N391 WeakPolarHBondContact O-CB 3.45Å; L109-N391 PolarHBondContact O-N 3.47Å
110	Y	95.7	Very high	96.1	Very high	7 Å²	7	64.3 Å²	64.3	3%	0.027	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-116.4	19.9	-172.1	-51.5	-78.5	0	0	0	113.1	L98 L103 A107 E108 K112 C113 L118 V390 D447	L98-Y110 WeakPolarHBondContact CD1-OH 3.29Å; L98-Y110 HydrophobicContact CD2-CE1 3.95Å; L98-Y110 WeakPolarHBondContact CD2-OH 3.48Å; L103-Y110 HydrophobicContact CB-CE2 4.3Å; L103-Y110 HydrophobicContact CD2-CD2 4.37Å; L103-Y110 HydrophobicContact CG-CD2 3.98Å; L103-Y110 HydrophobicContact CG-CE2 3.86Å; A107-Y110 PolarHBondContact O-N 2.8Å; A107-Y110 VanDerWaalsContact O-N 3.07Å; E108-Y110 PolarHBondContact O-N 3.08Å; Y110-K112 PolarHBondContact O-N 2.76Å; Y110-K112 VanDerWaalsContact O-N 3.15Å; Y110-C113 VanDerWaalsContact O-CB 3.3Å; Y110-C113 WeakPolarHBondContact O-CB 3.44Å; Y110-C113 PolarHBondContact O-N 2.92Å; Y110-L118 HydrophobicContact CD1-CD2 4.49Å; Y110-L118 HydrophobicContact CG-CD2 4.28Å; Y110-V390 HydrophobicContact CE1-CG1 4.42Å; Y110-D447 HydrophobicContact CE1-CB 4.05Å; Y110-D447 PolarHBondContact OH-OD2 3.3Å; Y110-D447 VanDerWaalsContact OH-OD2 3.09Å
111	E	94.4	Very high	96.1	Very high	148 Å²	148	71.1 Å²	71.1	69%	0.692	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-30.2	-179.3	-73	179.2	178.3	0	0	113.8	E108 C113	E108-E111 WeakPolarHBondContact O-CG 3.27Å; E111-C113 VanDerWaalsContact C-N 3.26Å; E111-C113 PolarHBondContact O-N 3.46Å
112	K	93.4	Very high	96.1	Very high	125 Å²	125	71.7 Å²	71.7	54%	0.543	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-8.8	177.2	-62.3	178.2	-176	164.7	0	113.3	Y110 N391 P438	Y110-K112 PolarHBondContact O-N 2.76Å; Y110-K112 VanDerWaalsContact O-N 3.15Å; K112-N391 PolarHBondContact NZ-O 3.35Å; K112-P438 HydrophobicContact CB-CB 4.35Å; K112-P438 HydrophobicContact CB-CG 4.08Å
113	C	95.4	Very high	96.3	Very high	15 Å²	15	70 Å²	70	10%	0.101	35%	0.345	C	S	.	.	S	Bend	trans	-90.9	147.3	-179.6	-58.4	0	0	0	0	111	Y110 E111 K115 L118 L439	Y110-C113 VanDerWaalsContact O-CB 3.3Å; Y110-C113 WeakPolarHBondContact O-CB 3.44Å; Y110-C113 PolarHBondContact O-N 2.92Å; E111-C113 VanDerWaalsContact C-N 3.26Å; E111-C113 PolarHBondContact O-N 3.46Å; C113-K115 PolarHBondContact O-N 2.89Å; C113-L118 HydrophobicContact CB-CD1 4.26Å; C113-L118 HydrophobicContact CB-CD2 3.73Å; C113-L118 HydrophobicContact CB-CG 4.13Å; C113-L439 PolarHBondContact SG-O 3.25Å; C113-L439 VanDerWaalsContact SG-O 3.34Å
114	E	96	Very high	96.3	Very high	105 Å²	105	70.1 Å²	70.1	49%	0.491	35%	0.346	S	S	.	.			trans	-68	126.4	171.6	-64	-175.6	-117.7	0	0	110.4	K116 H117	E114-K116 HydrophobicContact CB-CG 4.33Å; E114-K116 PolarHBondContact O-N 3.49Å; E114-K116 IonicContact OE1-NZ 2.71Å; E114-K116 WeakPolarHBondContact OE2-CE 3.26Å; E114-K116 IonicContact OE2-NZ 3.76Å; E114-K116 PolarHBondContact OE2-NZ 3.4Å; E114-H117 WeakPolarHBondContact O-CB 3.21Å; E114-H117 PolarHBondContact O-N 3.48Å; E114-H117 IonicContact OE1-CE1 2.82Å; E114-H117 PolarHBondContact OE1-CE1 2.85Å; E114-H117 IonicContact OE1-ND1 3.94Å
115	K	97.1	Very high	96.4	Very high	185 Å²	185	68.3 Å²	68.3	80%	0.804	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-51.4	-34.8	-176.9	-65.4	-173.7	178.8	-177.5	0	114.1	C113 H117 L118	C113-K115 PolarHBondContact O-N 2.89Å; K115-H117 PolarHBondContact O-N 2.89Å; K115-L118 PolarHBondContact O-N 2.96Å; K115-L118 VanDerWaalsContact O-N 3.15Å
116	K	97.4	Very high	96.5	Very high	122 Å²	122	65.9 Å²	65.9	53%	0.53	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-62.3	-32.7	178	75.7	-166.6	-170.9	-153.7	0	112.4	E114 L118 T119 H122	E114-K116 HydrophobicContact CB-CG 4.33Å; E114-K116 PolarHBondContact O-N 3.49Å; E114-K116 IonicContact OE1-NZ 2.71Å; E114-K116 WeakPolarHBondContact OE2-CE 3.26Å; E114-K116 IonicContact OE2-NZ 3.76Å; E114-K116 PolarHBondContact OE2-NZ 3.4Å; K116-L118 VanDerWaalsContact C-N 3.31Å; K116-T119 PolarHBondContact O-OG1 3.39Å; K116-H122 WeakPolarHBondContact O-CB 3.27Å
117	H	97.5	Very high	96.7	Very high	10 Å²	10	64.3 Å²	64.3	5%	0.046	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-76.9	-18.8	178.5	-56.5	153.2	0	0	0	112.9	E114 K115 T119 H122 R123 A442	E114-H117 WeakPolarHBondContact O-CB 3.21Å; E114-H117 PolarHBondContact O-N 3.48Å; E114-H117 IonicContact OE1-CE1 2.82Å; E114-H117 PolarHBondContact OE1-CE1 2.85Å; E114-H117 IonicContact OE1-ND1 3.94Å; K115-H117 PolarHBondContact O-N 2.89Å; H117-T119 VanDerWaalsContact C-N 3.34Å; H117-H122 AromaticContact CD2-CD2 3.99Å; H117-H122 AromaticContact CD2-CE1 3.84Å; H117-H122 AromaticContact CD2-NE2 3.43Å; H117-H122 PolarHBondContact CD2-NE2 2.77Å; H117-R123 WeakPolarHBondContact O-CG 3.39Å; H117-A442 PolarHBondContact CE1-N 3.5Å; H117-A442 PolarHBondContact ND1-N 3.44Å
118	L	97.9	Very high	96.9	Very high	25 Å²	25	63.6 Å²	63.6	13%	0.131	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-84.1	-9.3	179	-58.4	-178.4	0	0	0	113.4	Q100 L103 Y110 C113 K115 K116 P440	Q100-L118 PolarHBondContact NE2-O 2.91Å; L103-L118 HydrophobicContact CD1-CB 4.41Å; L103-L118 HydrophobicContact CD1-CD2 4.18Å; L103-L118 HydrophobicContact CD2-CB 4.24Å; Y110-L118 HydrophobicContact CD1-CD2 4.49Å; Y110-L118 HydrophobicContact CG-CD2 4.28Å; C113-L118 HydrophobicContact CB-CD1 4.26Å; C113-L118 HydrophobicContact CB-CD2 3.73Å; C113-L118 HydrophobicContact CB-CG 4.13Å; K115-L118 PolarHBondContact O-N 2.96Å; K115-L118 VanDerWaalsContact O-N 3.15Å; K116-L118 VanDerWaalsContact C-N 3.31Å; L118-P440 HydrophobicContact CD2-CG 4.34Å
119	T	98	Very high	97.1	Very high	63 Å²	63	65.8 Å²	65.8	39%	0.387	31%	0.314	S	S	.	.	S	Bend	trans	-70.9	139.2	-179.9	66.6	0	0	0	0	111.3	K116 H117 Q121 H122 R123	K116-T119 PolarHBondContact O-OG1 3.39Å; H117-T119 VanDerWaalsContact C-N 3.34Å; T119-Q121 PolarHBondContact O-N 3.4Å; T119-H122 PolarHBondContact O-N 2.8Å; T119-H122 VanDerWaalsContact O-N 3.08Å; T119-H122 VanDerWaalsContact OG1-CB 3.28Å; T119-H122 WeakPolarHBondContact OG1-CB 3.42Å; T119-H122 PolarHBondContact OG1-N 3.26Å; T119-R123 WeakPolarHBondContact O-CG 3.4Å; T119-R123 PolarHBondContact O-N 2.85Å
120	W	98.2	Very high	97.3	Very high	53 Å²	53	64.5 Å²	64.5	20%	0.201	31%	0.308	C	S	.	.	H	α-helix	trans	-55.4	-39.8	176.9	178.8	-117.2	0	0	0	113	Q100 H122 R123 S124 L127 T148 M151 F152	Q100-W120 HydrophobicContact CB-CD2 4.34Å; Q100-W120 HydrophobicContact CB-CE3 3.84Å; Q100-W120 HydrophobicContact CB-CZ3 4.49Å; Q100-W120 HydrophobicContact CG-CB 3.93Å; Q100-W120 HydrophobicContact CG-CE3 4.42Å; Q100-W120 HydrophobicContact CG-CG 4.49Å; W120-H122 VanDerWaalsContact C-N 3.3Å; W120-H122 PolarHBondContact O-N 2.81Å; W120-R123 PolarHBondContact O-N 3Å; W120-S124 WeakPolarHBondContact O-CB 3.07Å; W120-S124 PolarHBondContact O-N 3.09Å; W120-S124 PolarHBondContact O-OG 3.25Å; W120-L127 HydrophobicContact CH2-CD1 4.43Å; W120-L127 HydrophobicContact CZ3-CD1 4.18Å; W120-T148 HydrophobicContact CD2-CG2 4.37Å; W120-T148 HydrophobicContact CH2-CG2 4.28Å; W120-T148 VanDerWaalsContact CZ2-CB 3.45Å; W120-T148 HydrophobicContact CZ2-CG2 3.53Å; W120-M151 HydrophobicContact CZ2-SD 4.36Å; W120-F152 AromaticContact CH2-CE2 3.93Å; W120-F152 HydrophobicContact CH2-CE2 3.93Å; W120-F152 AromaticContact CH2-CZ 3.92Å; W120-F152 HydrophobicContact CH2-CZ 3.92Å; W120-F152 HydrophobicContact CZ2-CE2 4.34Å
121	Q	97.7	Very high	97.5	Very high	160 Å²	160	64.3 Å²	64.3	75%	0.748	31%	0.307	S	S	*	.	H	α-helix	trans	-58.6	-43.2	178.4	-176.2	179.4	-0	0	0	111.6	T119 S124 C125	T119-Q121 PolarHBondContact O-N 3.4Å; Q121-S124 PolarHBondContact O-OG 3.25Å; Q121-C125 PolarHBondContact O-SG 2.82Å; Q121-C125 VanDerWaalsContact O-SG 3.33Å
122	H	98.1	Very high	97.7	Very high	56 Å²	56	63.4 Å²	63.4	26%	0.259	30%	0.301	S	S	.	.	H	α-helix	trans	-70.1	-52.9	176.9	-174.3	80	0	0	0	111.5	K116 H117 T119 W120 S124 C125 L126	K116-H122 WeakPolarHBondContact O-CB 3.27Å; H117-H122 AromaticContact CD2-CD2 3.99Å; H117-H122 AromaticContact CD2-CE1 3.84Å; H117-H122 AromaticContact CD2-NE2 3.43Å; H117-H122 PolarHBondContact CD2-NE2 2.77Å; T119-H122 PolarHBondContact O-N 2.8Å; T119-H122 VanDerWaalsContact O-N 3.08Å; T119-H122 VanDerWaalsContact OG1-CB 3.28Å; T119-H122 WeakPolarHBondContact OG1-CB 3.42Å; T119-H122 PolarHBondContact OG1-N 3.26Å; W120-H122 VanDerWaalsContact C-N 3.3Å; W120-H122 PolarHBondContact O-N 2.81Å; H122-S124 PolarHBondContact O-N 2.83Å; H122-C125 PolarHBondContact O-N 2.89Å; H122-L126 WeakPolarHBondContact NE2-CD1 3.42Å; H122-L126 PolarHBondContact O-N 2.98Å
123	R	98.4	Very high	97.8	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60	-46.6	-175.7	-65.2	178.5	62.6	-133.5	-12	112.1	I97 L98 L103 H117 T119 W120 C125 L126 L127 G445	I97-R123 PolarHBondContact O-NH2 2.95Å; L98-R123 VanDerWaalsContact CB-NH2 3.28Å; L98-R123 PolarHBondContact O-NH1 3.39Å; L98-R123 VanDerWaalsContact O-NH1 3.08Å; L98-R123 PolarHBondContact O-NH2 3.05Å; L103-R123 VanDerWaalsContact CD1-NH1 3.31Å; H117-R123 WeakPolarHBondContact O-CG 3.39Å; T119-R123 WeakPolarHBondContact O-CG 3.4Å; T119-R123 PolarHBondContact O-N 2.85Å; W120-R123 PolarHBondContact O-N 3Å; R123-C125 VanDerWaalsContact C-N 3.31Å; R123-C125 PolarHBondContact O-N 3.02Å; R123-L126 WeakPolarHBondContact O-CB 3.34Å; R123-L126 PolarHBondContact O-N 2.83Å; R123-L127 VanDerWaalsContact O-CG 3.31Å; R123-L127 WeakPolarHBondContact O-CG 3.23Å; R123-L127 PolarHBondContact O-N 2.77Å; R123-G445 VanDerWaalsContact CZ-O 3.29Å; R123-G445 PolarHBondContact NE-O 3.18Å; R123-G445 PolarHBondContact NH2-O 2.92Å
124	S	98.4	Very high	97.9	Very high	9 Å²	9	59.6 Å²	59.6	6%	0.063	29%	0.287	C	S	.	.	H	α-helix	trans	-60	-39.1	-180	60.6	0	0	0	0	112.6	W120 Q121 H122 L126 L127 L128	W120-S124 WeakPolarHBondContact O-CB 3.07Å; W120-S124 PolarHBondContact O-N 3.09Å; W120-S124 PolarHBondContact O-OG 3.25Å; Q121-S124 PolarHBondContact O-OG 3.25Å; H122-S124 PolarHBondContact O-N 2.83Å; S124-L126 VanDerWaalsContact C-N 3.34Å; S124-L126 PolarHBondContact O-N 2.84Å; S124-L127 PolarHBondContact O-N 3.17Å; S124-L128 WeakPolarHBondContact O-CB 3.42Å; S124-L128 VanDerWaalsContact O-CG 3.24Å; S124-L128 WeakPolarHBondContact O-CG 3.32Å; S124-L128 PolarHBondContact O-N 2.85Å
125	C	98.1	Very high	97.9	Very high	85 Å²	85	59.9 Å²	59.9	57%	0.574	29%	0.292	S	S	*	.	H	α-helix	trans	-60.8	-42.6	173.8	-71.7	0	0	0	0	112.1	Q121 H122 R123 K129	Q121-C125 PolarHBondContact O-SG 2.82Å; Q121-C125 VanDerWaalsContact O-SG 3.33Å; H122-C125 PolarHBondContact O-N 2.89Å; R123-C125 VanDerWaalsContact C-N 3.31Å; R123-C125 PolarHBondContact O-N 3.02Å; C125-K129 WeakPolarHBondContact O-CB 3.49Å; C125-K129 PolarHBondContact O-N 3.1Å; C125-K129 VanDerWaalsContact O-N 3.1Å
126	L	98.4	Very high	98	Very high	24 Å²	24	51 Å²	51	13%	0.126	25%	0.254	C	S	.	.	H	α-helix	trans	-68.1	-47.4	177.7	-63.8	179.5	0	0	0	111.7	H122 R123 S124 L128 K129 E130 N441	H122-L126 WeakPolarHBondContact NE2-CD1 3.42Å; H122-L126 PolarHBondContact O-N 2.98Å; R123-L126 WeakPolarHBondContact O-CB 3.34Å; R123-L126 PolarHBondContact O-N 2.83Å; S124-L126 VanDerWaalsContact C-N 3.34Å; S124-L126 PolarHBondContact O-N 2.84Å; L126-L128 PolarHBondContact O-N 2.87Å; L126-K129 WeakPolarHBondContact O-CB 3.48Å; L126-K129 PolarHBondContact O-N 3.12Å; L126-K129 VanDerWaalsContact O-N 3.12Å; L126-E130 WeakPolarHBondContact O-CB 3.48Å; L126-E130 PolarHBondContact O-N 2.87Å; L126-N441 WeakPolarHBondContact CD1-O 2.87Å
127	L	98.7	Very high	98.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-56.8	-48.6	177.8	-69.6	170.7	0	0	0	111.5	Y95 I97 W120 R123 S124 K129 E130 L131 F152	Y95-L127 HydrophobicContact CE1-CD2 3.94Å; I97-L127 HydrophobicContact CB-CD1 4.33Å; I97-L127 HydrophobicContact CB-CD2 4.03Å; I97-L127 HydrophobicContact CG2-CD2 4.26Å; W120-L127 HydrophobicContact CH2-CD1 4.43Å; W120-L127 HydrophobicContact CZ3-CD1 4.18Å; R123-L127 VanDerWaalsContact O-CG 3.31Å; R123-L127 WeakPolarHBondContact O-CG 3.23Å; R123-L127 PolarHBondContact O-N 2.77Å; S124-L127 PolarHBondContact O-N 3.17Å; L127-K129 VanDerWaalsContact C-N 3.31Å; L127-K129 PolarHBondContact O-N 3.42Å; L127-E130 PolarHBondContact O-N 3.33Å; L127-L131 WeakPolarHBondContact O-CB 3.12Å; L127-L131 VanDerWaalsContact O-CG 3.23Å; L127-L131 WeakPolarHBondContact O-CG 3.42Å; L127-L131 PolarHBondContact O-N 2.84Å; L127-F152 HydrophobicContact CD1-CZ 4.47Å
128	L	98.6	Very high	98.1	Very high	37 Å²	37	45.4 Å²	45.4	19%	0.194	23%	0.23	C	C	.	.	H	α-helix	trans	-67.2	-32.7	178.7	-64.5	-179.2	0	0	0	112.4	S124 L126 K132 M151 F152 F155	S124-L128 WeakPolarHBondContact O-CB 3.42Å; S124-L128 VanDerWaalsContact O-CG 3.24Å; S124-L128 WeakPolarHBondContact O-CG 3.32Å; S124-L128 PolarHBondContact O-N 2.85Å; L126-L128 PolarHBondContact O-N 2.87Å; L128-K132 WeakPolarHBondContact O-CB 3.35Å; L128-K132 PolarHBondContact O-N 2.87Å; L128-M151 HydrophobicContact CD1-CG 4.12Å; L128-M151 HydrophobicContact CD1-SD 3.86Å; L128-F152 HydrophobicContact CD2-CD1 3.9Å; L128-F152 HydrophobicContact CD2-CE1 3.94Å; L128-F155 HydrophobicContact CB-CD2 4.01Å; L128-F155 HydrophobicContact CB-CE2 3.82Å; L128-F155 HydrophobicContact CD1-CD2 4.36Å; L128-F155 HydrophobicContact CD2-CB 3.96Å; L128-F155 HydrophobicContact CD2-CD1 4.2Å; L128-F155 HydrophobicContact CD2-CD2 3.64Å; L128-F155 HydrophobicContact CD2-CE2 4.11Å; L128-F155 HydrophobicContact CD2-CG 3.69Å; L128-F155 HydrophobicContact CG-CD2 4.21Å; L128-F155 HydrophobicContact CG-CE2 4.47Å; L128-F155 WeakPolarHBondContact O-CE2 3.46Å; L128-F155 WeakPolarHBondContact O-CZ 3.48Å
129	K	98.3	Very high	98.2	Very high	123 Å²	123	44.3 Å²	44.3	54%	0.535	22%	0.224	S	C	.	.	H	α-helix	trans	-66.7	-47	174.1	-177.7	-177.9	174.9	-172.3	0	110.4	C125 L126 L127 K132 T133	C125-K129 WeakPolarHBondContact O-CB 3.49Å; C125-K129 PolarHBondContact O-N 3.1Å; C125-K129 VanDerWaalsContact O-N 3.1Å; L126-K129 WeakPolarHBondContact O-CB 3.48Å; L126-K129 PolarHBondContact O-N 3.12Å; L126-K129 VanDerWaalsContact O-N 3.12Å; L127-K129 VanDerWaalsContact C-N 3.31Å; L127-K129 PolarHBondContact O-N 3.42Å; K129-K132 WeakPolarHBondContact O-CB 3.28Å; K129-K132 PolarHBondContact O-N 3.23Å; K129-T133 WeakPolarHBondContact O-CG2 3.37Å; K129-T133 PolarHBondContact O-N 2.87Å; K129-T133 PolarHBondContact O-OG1 3.25Å
130	E	98.3	Very high	98.2	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.014	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-49.7	179.5	-177.5	164.3	-148.8	0	0	111.9	A59 Y95 L126 L127 K132 T133 L134 P450	A59-E130 HydrophobicContact CB-CB 4.23Å; A59-E130 HydrophobicContact CB-CG 4.05Å; A59-E130 VanDerWaalsContact CB-OE1 3.3Å; A59-E130 WeakPolarHBondContact CB-OE1 3.12Å; A59-E130 WeakPolarHBondContact CB-OE2 3.24Å; A59-E130 PolarHBondContact N-OE1 3.41Å; Y95-E130 PolarHBondContact OH-OE2 2.98Å; L126-E130 WeakPolarHBondContact O-CB 3.48Å; L126-E130 PolarHBondContact O-N 2.87Å; L127-E130 PolarHBondContact O-N 3.33Å; E130-K132 PolarHBondContact O-N 2.83Å; E130-K132 VanDerWaalsContact O-N 3.09Å; E130-T133 WeakPolarHBondContact CA-OG1 3.32Å; E130-T133 PolarHBondContact O-N 2.71Å; E130-T133 PolarHBondContact O-OG1 2.78Å; E130-L134 HydrophobicContact CG-CD1 3.9Å; E130-L134 HydrophobicContact CG-CG 4.03Å; E130-L134 WeakPolarHBondContact O-CB 3.36Å; E130-L134 VanDerWaalsContact O-CG 3.28Å; E130-L134 WeakPolarHBondContact O-CG 3.4Å; E130-L134 PolarHBondContact O-N 3.33Å; E130-P450 WeakPolarHBondContact OE1-CG 3.42Å
131	L	98.6	Very high	98.3	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.016	20%	0.196	C	C	.	.	H	α-helix	trans	-56.1	-32.4	175.4	-69.2	172	0	0	0	112.2	Y95 L127 F139 L141 F152 F155 F156	Y95-L131 HydrophobicContact CD1-CD2 4.19Å; L127-L131 WeakPolarHBondContact O-CB 3.12Å; L127-L131 VanDerWaalsContact O-CG 3.23Å; L127-L131 WeakPolarHBondContact O-CG 3.42Å; L127-L131 PolarHBondContact O-N 2.84Å; L131-F139 HydrophobicContact CD2-CD1 3.68Å; L131-F139 HydrophobicContact CD2-CE1 3.65Å; L131-F139 HydrophobicContact CD2-CZ 4.46Å; L131-F139 WeakPolarHBondContact O-CZ 3.17Å; L131-L141 HydrophobicContact CD1-CD1 4.42Å; L131-L141 HydrophobicContact CD2-CD2 4Å; L131-F152 HydrophobicContact CD1-CD1 3.94Å; L131-F152 HydrophobicContact CD1-CE1 3.91Å; L131-F155 HydrophobicContact CB-CE1 3.91Å; L131-F155 HydrophobicContact CB-CZ 4Å; L131-F156 HydrophobicContact CB-CZ 4.45Å; L131-F156 HydrophobicContact CD1-CE2 4.17Å; L131-F156 HydrophobicContact CD1-CZ 4.14Å; L131-F156 HydrophobicContact CD2-CZ 4.31Å
132	K	98	Very high	98.3	Very high	128 Å²	128	31.1 Å²	31.1	56%	0.557	16%	0.16	S	C	*	.	H	α-helix	trans	-70.3	-43.5	174.7	-176.5	-169.2	176.5	-172.1	0	111.5	L128 K129 E130 F155	L128-K132 WeakPolarHBondContact O-CB 3.35Å; L128-K132 PolarHBondContact O-N 2.87Å; K129-K132 WeakPolarHBondContact O-CB 3.28Å; K129-K132 PolarHBondContact O-N 3.23Å; E130-K132 PolarHBondContact O-N 2.83Å; E130-K132 VanDerWaalsContact O-N 3.09Å; K132-F155 HydrophobicContact CB-CE2 4.33Å; K132-F155 HydrophobicContact CB-CZ 3.94Å
133	T	96.9	Very high	98.3	Very high	47 Å²	47	29.3 Å²	29.3	29%	0.288	15%	0.152	S	C	.	.	H	α-helix	trans	-76.3	-35.9	-176	53.8	0	0	0	0	112.6	N57 K129 E130 N135	N57-T133 WeakPolarHBondContact O-CB 3.26Å; N57-T133 PolarHBondContact O-OG1 3.24Å; K129-T133 WeakPolarHBondContact O-CG2 3.37Å; K129-T133 PolarHBondContact O-N 2.87Å; K129-T133 PolarHBondContact O-OG1 3.25Å; E130-T133 WeakPolarHBondContact CA-OG1 3.32Å; E130-T133 PolarHBondContact O-N 2.71Å; E130-T133 PolarHBondContact O-OG1 2.78Å; T133-N135 VanDerWaalsContact C-N 3.27Å; T133-N135 PolarHBondContact O-N 3.43Å
134	L	97.8	Very high	98.3	Very high	13 Å²	13	29.3 Å²	29.3	7%	0.068	15%	0.152	C	C	.	.	H	α-helix	trans	-58.3	-40.2	173.4	-68.7	176.9	0	0	0	111.8	D58 E130 A136 F139 P450 L452	D58-L134 HydrophobicContact CB-CD2 3.9Å; E130-L134 HydrophobicContact CG-CD1 3.9Å; E130-L134 HydrophobicContact CG-CG 4.03Å; E130-L134 WeakPolarHBondContact O-CB 3.36Å; E130-L134 VanDerWaalsContact O-CG 3.28Å; E130-L134 WeakPolarHBondContact O-CG 3.4Å; E130-L134 PolarHBondContact O-N 3.33Å; L134-A136 PolarHBondContact O-N 2.94Å; L134-F139 HydrophobicContact CB-CE1 4.09Å; L134-F139 HydrophobicContact CB-CZ 4.18Å; L134-F139 HydrophobicContact CD1-CE1 4.16Å; L134-P450 HydrophobicContact CD1-CB 3.74Å; L134-P450 HydrophobicContact CD1-CG 3.84Å; L134-P450 HydrophobicContact CD2-CG 4.15Å; L134-L452 HydrophobicContact CB-CD2 4.37Å; L134-L452 HydrophobicContact CD2-CD1 3.87Å; L134-L452 HydrophobicContact CD2-CD2 4.05Å; L134-L452 HydrophobicContact CD2-CG 4.48Å
135	N	96.4	Very high	98.3	Very high	111 Å²	111	29 Å²	29	59%	0.594	15%	0.15	S	C	*	.			trans	49.1	35.3	173.5	-170.2	46.5	0	0	0	114.4	T133	T133-N135 VanDerWaalsContact C-N 3.27Å; T133-N135 PolarHBondContact O-N 3.43Å
136	A	98.3	Very high	98.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.			trans	-68.6	149.1	176.6	0	0	0	0	0	111.2	T91 C93 L134 I138 F139 Y161	T91-A136 HydrophobicContact CG2-CB 3.89Å; C93-A136 HydrophobicContact CB-CB 3.65Å; L134-A136 PolarHBondContact O-N 2.94Å; A136-I138 VanDerWaalsContact C-N 3.34Å; A136-F139 HydrophobicContact CB-CD1 4.4Å; A136-F139 HydrophobicContact CB-CD2 4.32Å; A136-F139 HydrophobicContact CB-CE1 3.96Å; A136-F139 HydrophobicContact CB-CE2 3.89Å; A136-F139 HydrophobicContact CB-CZ 3.71Å; A136-F139 WeakPolarHBondContact O-CE2 3.44Å; A136-Y161 VanDerWaalsContact O-CE1 3.27Å; A136-Y161 WeakPolarHBondContact O-CE1 3.41Å; A136-Y161 PolarHBondContact O-OH 2.78Å
137	D	98.6	Very high	98.3	Very high	13 Å²	13	33.7 Å²	33.7	7%	0.07	17%	0.166	C	C	.	.	S	Bend	trans	-75.5	-25.6	179.3	-67.6	-70.2	0	0	0	113.1	F90 T91 W180 N181 K184 F185	F90-D137 VanDerWaalsContact CA-OD2 3.23Å; F90-D137 WeakPolarHBondContact CA-OD2 3.14Å; F90-D137 HydrophobicContact CB-CB 3.97Å; T91-D137 PolarHBondContact N-OD2 2.84Å; T91-D137 WeakPolarHBondContact O-CA 3.23Å; T91-D137 WeakPolarHBondContact O-CB 3.39Å; T91-D137 PolarHBondContact O-N 2.83Å; D137-W180 CarbonylContact O-C 3.55Å; D137-W180 VanDerWaalsContact O-CA 3.29Å; D137-W180 WeakPolarHBondContact O-CA 3.26Å; D137-N181 HydrophobicContact CB-CB 4.22Å; D137-N181 WeakPolarHBondContact O-CB 3.46Å; D137-N181 PolarHBondContact O-N 2.95Å; D137-N181 PolarHBondContact OD1-ND2 2.92Å; D137-K184 HydrophobicContact CB-CD 4.3Å; D137-K184 VanDerWaalsContact CG-NZ 3.27Å; D137-K184 VanDerWaalsContact OD1-CD 3.26Å; D137-K184 WeakPolarHBondContact OD1-CD 3.28Å; D137-K184 WeakPolarHBondContact OD1-CE 3.47Å; D137-K184 IonicContact OD1-NZ 3.23Å; D137-K184 PolarHBondContact OD1-NZ 2.91Å; D137-K184 IonicContact OD2-NZ 2.72Å; D137-K184 PolarHBondContact OD2-NZ 3.37Å; D137-F185 HydrophobicContact CB-CE2 4.22Å
138	I	98.9	Very high	98.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.8	175	-63.3	160.2	0	0	0	108.3	F90 T91 V92 C93 A136 V178 F179 W180 F185 L213 V237	F90-I138 HydrophobicContact CD2-CD1 3.88Å; F90-I138 HydrophobicContact CE2-CD1 3.96Å; T91-I138 PolarHBondContact O-N 3.18Å; V92-I138 CarbonylContact C-O 3.57Å; V92-I138 WeakPolarHBondContact CA-O 3.28Å; V92-I138 HydrophobicContact CG1-CB 4.45Å; V92-I138 HydrophobicContact CG1-CG2 4.35Å; V92-I138 HydrophobicContact CG2-CB 4.24Å; V92-I138 HydrophobicContact CG2-CD1 4.22Å; C93-I138 PolarHBondContact N-O 3.14Å; A136-I138 VanDerWaalsContact C-N 3.34Å; I138-V178 HydrophobicContact CG2-CG1 4.24Å; I138-F179 CarbonylContact C-O 3.59Å; I138-F179 VanDerWaalsContact CA-O 3.26Å; I138-F179 WeakPolarHBondContact CA-O 3.32Å; I138-W180 HydrophobicContact CG1-CB 4.13Å; I138-F185 HydrophobicContact CD1-CD2 4.38Å; I138-F185 HydrophobicContact CD1-CE1 4.49Å; I138-F185 HydrophobicContact CD1-CE2 3.83Å; I138-F185 HydrophobicContact CD1-CZ 3.89Å; I138-F185 HydrophobicContact CG1-CD2 4.28Å; I138-F185 HydrophobicContact CG1-CE2 3.98Å; I138-L213 HydrophobicContact CD1-CD1 4.01Å; I138-L213 HydrophobicContact CG1-CD1 4.23Å; I138-V237 HydrophobicContact CD1-CG2 4.04Å; I138-V237 HydrophobicContact CG2-CG1 4.05Å; I138-V237 HydrophobicContact CG2-CG2 4.38Å
139	F	98.9	Very high	98.2	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.009	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.1	173	-72.2	-88.9	0	0	0	109.9	C93 L131 L134 A136 L141 F156 Y161 V178 F179	C93-F139 HydrophobicContact CB-CD1 3.65Å; C93-F139 HydrophobicContact CB-CE1 3.88Å; C93-F139 HydrophobicContact CB-CG 4.44Å; C93-F139 CarbonylContact O-C 3.39Å; C93-F139 WeakPolarHBondContact O-CA 3.48Å; L131-F139 HydrophobicContact CD2-CD1 3.68Å; L131-F139 HydrophobicContact CD2-CE1 3.65Å; L131-F139 HydrophobicContact CD2-CZ 4.46Å; L131-F139 WeakPolarHBondContact O-CZ 3.17Å; L134-F139 HydrophobicContact CB-CE1 4.09Å; L134-F139 HydrophobicContact CB-CZ 4.18Å; L134-F139 HydrophobicContact CD1-CE1 4.16Å; A136-F139 HydrophobicContact CB-CD1 4.4Å; A136-F139 HydrophobicContact CB-CD2 4.32Å; A136-F139 HydrophobicContact CB-CE1 3.96Å; A136-F139 HydrophobicContact CB-CE2 3.89Å; A136-F139 HydrophobicContact CB-CZ 3.71Å; A136-F139 WeakPolarHBondContact O-CE2 3.44Å; F139-L141 HydrophobicContact CB-CD2 4.18Å; F139-L141 HydrophobicContact CB-CG 4.37Å; F139-L141 HydrophobicContact CD1-CD2 4.42Å; F139-F156 HydrophobicContact CB-CZ 4.22Å; F139-F156 AromaticContact CD2-CE1 3.46Å; F139-F156 HydrophobicContact CD2-CE1 3.46Å; F139-F156 VanDerWaalsContact CD2-CE1 3.46Å; F139-F156 AromaticContact CD2-CZ 3.82Å; F139-F156 HydrophobicContact CD2-CZ 3.82Å; F139-F156 AromaticContact CE2-CE1 3.73Å; F139-F156 HydrophobicContact CE2-CE1 3.73Å; F139-F156 HydrophobicContact CE2-CZ 4.26Å; F139-F156 HydrophobicContact CG-CE1 4.09Å; F139-F156 AromaticContact CG-CZ 3.95Å; F139-F156 HydrophobicContact CG-CZ 3.95Å; F139-Y161 HydrophobicContact CD2-CE1 4.25Å; F139-Y161 HydrophobicContact CE2-CE1 4.27Å; F139-V178 CarbonylContact O-C 3.55Å; F139-V178 VanDerWaalsContact O-CA 3.28Å; F139-V178 WeakPolarHBondContact O-CA 3.46Å; F139-F179 HydrophobicContact CB-CB 4.37Å; F139-F179 PolarHBondContact N-O 2.95Å; F139-F179 PolarHBondContact O-N 2.92Å
140	C	99	Very high	98.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	104.7	170	-66.8	0	0	0	0	107.5	C93 T94 Y95 Q142 V237 N239 C284	C93-C140 PolarHBondContact O-N 2.99Å; T94-C140 CarbonylContact C-O 3.54Å; T94-C140 WeakPolarHBondContact CA-O 3.49Å; Y95-C140 PolarHBondContact N-O 3.42Å; C140-Q142 PolarHBondContact O-NE2 3.31Å; C140-Q142 VanDerWaalsContact O-NE2 3.1Å; C140-V237 WeakPolarHBondContact SG-CG1 3.08Å; C140-N239 HydrophobicContact CB-CB 3.96Å; C140-C284 HydrophobicContact CB-CB 3.52Å; C140-C284 VanDerWaalsContact SG-CB 3.59Å; C140-C284 VanDerWaalsContact SG-SG 3.67Å
141	L	98.9	Very high	98.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.5	-176.9	-53	-176.7	0	0	0	110.7	Y95 I97 L131 F139 V144 F156 C176 A177 F179 N239	Y95-L141 VanDerWaalsContact O-CA 3.31Å; Y95-L141 WeakPolarHBondContact O-CA 3.47Å; I97-L141 HydrophobicContact CG2-CD2 4.1Å; L131-L141 HydrophobicContact CD1-CD1 4.42Å; L131-L141 HydrophobicContact CD2-CD2 4Å; F139-L141 HydrophobicContact CB-CD2 4.18Å; F139-L141 HydrophobicContact CB-CG 4.37Å; F139-L141 HydrophobicContact CD1-CD2 4.42Å; L141-V144 HydrophobicContact CB-CG2 3.58Å; L141-V144 HydrophobicContact CD1-CG2 4.46Å; L141-F156 HydrophobicContact CD1-CE2 4.12Å; L141-C176 CarbonylContact O-C 3.5Å; L141-C176 VanDerWaalsContact O-CA 3.29Å; L141-C176 WeakPolarHBondContact O-CA 3.49Å; L141-A177 HydrophobicContact CB-CB 4.4Å; L141-A177 PolarHBondContact N-O 3.32Å; L141-A177 PolarHBondContact O-N 3.38Å; L141-F179 HydrophobicContact CD1-CD2 4.12Å; L141-F179 HydrophobicContact CD1-CE2 3.99Å; L141-N239 PolarHBondContact N-ND2 3.33Å; L141-N239 VanDerWaalsContact N-ND2 3.18Å; L141-N239 PolarHBondContact O-ND2 3Å
142	Q	98.8	Very high	98.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	159.5	172.4	-52.6	77.7	37.1	0	0	109.9	T94 Y95 N96 I97 C140 V144 N239 T240 H241 D286	T94-Q142 PolarHBondContact OG1-NE2 2.77Å; Y95-Q142 PolarHBondContact O-N 2.95Å; Y95-Q142 VanDerWaalsContact O-N 3.12Å; Y95-Q142 PolarHBondContact O-OE1 3.27Å; N96-Q142 HydrophobicContact CB-CB 4.07Å; I97-Q142 WeakPolarHBondContact CG1-O 3.34Å; I97-Q142 PolarHBondContact N-O 2.94Å; C140-Q142 PolarHBondContact O-NE2 3.31Å; C140-Q142 VanDerWaalsContact O-NE2 3.1Å; Q142-V144 VanDerWaalsContact C-N 3.31Å; Q142-V144 PolarHBondContact O-N 3.44Å; Q142-N239 PolarHBondContact NE2-OD1 3.44Å; Q142-T240 WeakPolarHBondContact CG-O 3.24Å; Q142-H241 HydrophobicContact CB-CB 4.15Å; Q142-H241 HydrophobicContact CG-CB 4.17Å; Q142-D286 HydrophobicContact CG-CB 4.36Å
143	E	98.5	Very high	98.2	Very high	17 Å²	17	32.5 Å²	32.5	8%	0.079	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	51.6	44.4	-175.8	-57.2	-165.1	-160.4	0	0	114.7	N96 S99 C102 D145 G175 H241	N96-E143 PolarHBondContact ND2-OE1 3.33Å; N96-E143 VanDerWaalsContact ND2-OE1 3.15Å; N96-E143 VanDerWaalsContact OD1-CB 3.3Å; N96-E143 WeakPolarHBondContact OD1-CB 3.44Å; N96-E143 VanDerWaalsContact OD1-CG 3.24Å; N96-E143 WeakPolarHBondContact OD1-CG 3.18Å; S99-E143 WeakPolarHBondContact CA-O 3.21Å; S99-E143 WeakPolarHBondContact CB-O 3.39Å; S99-E143 PolarHBondContact N-O 2.92Å; S99-E143 VanDerWaalsContact N-O 3.13Å; S99-E143 PolarHBondContact N-OE2 3.49Å; C102-E143 VanDerWaalsContact CB-OE2 3.32Å; C102-E143 WeakPolarHBondContact CB-OE2 3.17Å; C102-E143 PolarHBondContact SG-OE2 3.43Å; E143-D145 PolarHBondContact O-N 3.39Å; E143-G175 PolarHBondContact N-O 3.16Å; E143-G175 VanDerWaalsContact N-O 3.17Å; E143-H241 IonicContact OE1-CE1 3.88Å; E143-H241 PolarHBondContact OE1-CE1 3.48Å; E143-H241 VanDerWaalsContact OE1-CE1 3.26Å; E143-H241 IonicContact OE1-NE2 3.14Å
144	V	98.8	Very high	98.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	114.8	172.8	-173.5	0	0	0	0	109.1	I97 L141 Q142 H146 Y149 F152 Y165 D174 G175 A177	I97-V144 HydrophobicContact CD1-CB 4.27Å; I97-V144 HydrophobicContact CD1-CG1 4.31Å; I97-V144 HydrophobicContact CD1-CG2 3.8Å; I97-V144 HydrophobicContact CG1-CG2 4.14Å; L141-V144 HydrophobicContact CB-CG2 3.58Å; L141-V144 HydrophobicContact CD1-CG2 4.46Å; Q142-V144 VanDerWaalsContact C-N 3.31Å; Q142-V144 PolarHBondContact O-N 3.44Å; V144-H146 PolarHBondContact O-N 2.8Å; V144-Y149 HydrophobicContact CG1-CD2 4.09Å; V144-F152 HydrophobicContact CG1-CD2 4.01Å; V144-F152 HydrophobicContact CG1-CE2 4.3Å; V144-Y165 HydrophobicContact CB-CD2 4.32Å; V144-Y165 HydrophobicContact CB-CE2 3.93Å; V144-Y165 HydrophobicContact CG1-CD2 4.46Å; V144-Y165 HydrophobicContact CG1-CE2 4.23Å; V144-Y165 WeakPolarHBondContact O-CE2 3.33Å; V144-Y165 PolarHBondContact O-OH 2.53Å; V144-Y165 VanDerWaalsContact O-OH 3.13Å; V144-D174 CarbonylContact O-C 3.58Å; V144-D174 WeakPolarHBondContact O-CA 3.3Å; V144-G175 PolarHBondContact N-O 3.48Å; V144-G175 PolarHBondContact O-N 3.37Å; V144-A177 HydrophobicContact CG2-CB 4.11Å
145	D	98.3	Very high	98.4	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	128.4	177.2	-115.8	-48.1	0	0	0	111.4	S99 Q100 S101 E143 N147 T148 Y149 N173	S99-D145 WeakPolarHBondContact CB-OD2 3.48Å; Q100-D145 WeakPolarHBondContact CA-OD2 3.29Å; Q100-D145 PolarHBondContact N-OD2 2.87Å; S101-D145 PolarHBondContact N-OD2 2.79Å; S101-D145 PolarHBondContact OG-OD1 2.79Å; S101-D145 PolarHBondContact OG-OD2 3.49Å; E143-D145 PolarHBondContact O-N 3.39Å; D145-N147 PolarHBondContact O-N 2.87Å; D145-T148 HydrophobicContact CB-CG2 4.32Å; D145-T148 VanDerWaalsContact CB-OG1 3.31Å; D145-T148 WeakPolarHBondContact CB-OG1 3.45Å; D145-T148 CarbonylContact O-C 3.59Å; D145-T148 PolarHBondContact O-N 3.2Å; D145-T148 PolarHBondContact O-OG1 3.41Å; D145-Y149 PolarHBondContact O-N 2.99Å; D145-N173 PolarHBondContact OD1-ND2 2.98Å
146	H	98.2	Very high	98.5	Very high	92 Å²	92	28.7 Å²	28.7	43%	0.426	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-41.1	179.1	172.4	-87.5	0	0	0	112.4	V144 T148 Y149 Y165 K167 N173	V144-H146 PolarHBondContact O-N 2.8Å; H146-T148 PolarHBondContact O-N 2.96Å; H146-Y149 PolarHBondContact O-N 3.46Å; H146-Y165 WeakPolarHBondContact CA-OH 3.42Å; H146-Y165 HydrophobicContact CB-CE1 4.46Å; H146-Y165 PolarHBondContact N-OH 2.99Å; H146-K167 HydrophobicContact CB-CD 3.86Å; H146-K167 HydrophobicContact CB-CG 4.25Å; H146-N173 WeakPolarHBondContact CB-O 3.07Å; H146-N173 PolarHBondContact N-O 3.31Å
147	N	97.5	Very high	98.5	Very high	114 Å²	114	33.7 Å²	33.7	61%	0.61	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.2	-177.2	-63.2	-20.3	0	0	0	113	D145 N173	D145-N147 PolarHBondContact O-N 2.87Å; N147-N173 PolarHBondContact ND2-ND2 2.93Å; N147-N173 VanDerWaalsContact ND2-ND2 3.1Å
148	T	97.2	Very high	98.5	Very high	21 Å²	21	40.2 Å²	40.2	13%	0.129	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-7.5	-177.4	67.4	0	0	0	0	112.6	W120 D145 H146 S150 M151	W120-T148 HydrophobicContact CD2-CG2 4.37Å; W120-T148 HydrophobicContact CH2-CG2 4.28Å; W120-T148 VanDerWaalsContact CZ2-CB 3.45Å; W120-T148 HydrophobicContact CZ2-CG2 3.53Å; D145-T148 HydrophobicContact CB-CG2 4.32Å; D145-T148 VanDerWaalsContact CB-OG1 3.31Å; D145-T148 WeakPolarHBondContact CB-OG1 3.45Å; D145-T148 CarbonylContact O-C 3.59Å; D145-T148 PolarHBondContact O-N 3.2Å; D145-T148 PolarHBondContact O-OG1 3.41Å; H146-T148 PolarHBondContact O-N 2.96Å; T148-S150 PolarHBondContact O-N 3.41Å; T148-S150 VanDerWaalsContact O-N 3.14Å; T148-M151 WeakPolarHBondContact O-CB 3.43Å; T148-M151 PolarHBondContact O-N 3.42Å
149	Y	98.3	Very high	98.5	Very high	41 Å²	41	44.6 Å²	44.6	16%	0.161	22%	0.222	C	C	.	.	H	α-helix	trans	-50.7	-40.4	179	170.4	-107.1	0	0	0	113.4	V144 D145 H146 M151 F152 D153 Y165 A177 F179	V144-Y149 HydrophobicContact CG1-CD2 4.09Å; D145-Y149 PolarHBondContact O-N 2.99Å; H146-Y149 PolarHBondContact O-N 3.46Å; Y149-M151 PolarHBondContact O-N 3.29Å; Y149-F152 WeakPolarHBondContact O-CB 3.13Å; Y149-F152 PolarHBondContact O-N 2.95Å; Y149-D153 HydrophobicContact CE1-CB 4.12Å; Y149-D153 PolarHBondContact O-N 2.95Å; Y149-Y165 HydrophobicContact CD1-CD1 4.07Å; Y149-Y165 HydrophobicContact CD1-CG 4.25Å; Y149-Y165 HydrophobicContact CD2-CD1 4.18Å; Y149-Y165 AromaticContact CD2-CD2 3.83Å; Y149-Y165 HydrophobicContact CD2-CD2 3.83Å; Y149-Y165 AromaticContact CD2-CG 3.63Å; Y149-Y165 HydrophobicContact CD2-CG 3.63Å; Y149-Y165 HydrophobicContact CE1-CD1 4.4Å; Y149-Y165 HydrophobicContact CE1-CG 4.36Å; Y149-Y165 HydrophobicContact CE2-CD2 4.19Å; Y149-Y165 AromaticContact CE2-CG 3.76Å; Y149-Y165 HydrophobicContact CE2-CG 3.76Å; Y149-Y165 AromaticContact CG-CD1 3.95Å; Y149-Y165 HydrophobicContact CG-CD1 3.95Å; Y149-Y165 HydrophobicContact CG-CD2 4.31Å; Y149-Y165 HydrophobicContact CG-CE1 4.42Å; Y149-Y165 AromaticContact CG-CG 3.89Å; Y149-Y165 HydrophobicContact CG-CG 3.89Å; Y149-A177 HydrophobicContact CE2-CB 4.36Å; Y149-F179 HydrophobicContact CD2-CZ 4.49Å; Y149-F179 HydrophobicContact CE2-CE1 4.4Å; Y149-F179 HydrophobicContact CE2-CE2 4.46Å; Y149-F179 AromaticContact CE2-CZ 3.67Å; Y149-F179 HydrophobicContact CE2-CZ 3.67Å
150	S	98.1	Very high	98.4	Very high	77 Å²	77	49.7 Å²	49.7	54%	0.538	24%	0.244	S	C	.	.	H	α-helix	trans	-58	-31.1	178.9	61	0	0	0	0	113.1	T148 D153 V154	T148-S150 PolarHBondContact O-N 3.41Å; T148-S150 VanDerWaalsContact O-N 3.14Å; S150-D153 PolarHBondContact O-N 3.26Å; S150-V154 WeakPolarHBondContact O-CB 3.47Å; S150-V154 VanDerWaalsContact O-CG2 3.27Å; S150-V154 WeakPolarHBondContact O-CG2 3.17Å; S150-V154 PolarHBondContact O-N 3.31Å
151	M	98.3	Very high	98.4	Very high	71 Å²	71	50.2 Å²	50.2	35%	0.35	25%	0.246	S	C	.	.	H	α-helix	trans	-63.6	-46.1	173.8	-175.6	-171.8	-69.2	0	0	111.1	W120 L128 T148 Y149 F155	W120-M151 HydrophobicContact CZ2-SD 4.36Å; L128-M151 HydrophobicContact CD1-CG 4.12Å; L128-M151 HydrophobicContact CD1-SD 3.86Å; T148-M151 WeakPolarHBondContact O-CB 3.43Å; T148-M151 PolarHBondContact O-N 3.42Å; Y149-M151 PolarHBondContact O-N 3.29Å; M151-F155 VanDerWaalsContact O-CB 3.23Å; M151-F155 WeakPolarHBondContact O-CB 3.42Å; M151-F155 PolarHBondContact O-N 3.11Å
152	F	98.6	Very high	98.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.2	-44	176.9	-65	-79	0	0	0	111.1	I97 W120 L127 L128 L131 V144 Y149 V154 F155 F156 F179	I97-F152 HydrophobicContact CD1-CE1 3.91Å; I97-F152 HydrophobicContact CD1-CE2 3.79Å; I97-F152 HydrophobicContact CD1-CZ 3.4Å; I97-F152 VanDerWaalsContact CD1-CZ 3.4Å; W120-F152 AromaticContact CH2-CE2 3.93Å; W120-F152 HydrophobicContact CH2-CE2 3.93Å; W120-F152 AromaticContact CH2-CZ 3.92Å; W120-F152 HydrophobicContact CH2-CZ 3.92Å; W120-F152 HydrophobicContact CZ2-CE2 4.34Å; L127-F152 HydrophobicContact CD1-CZ 4.47Å; L128-F152 HydrophobicContact CD2-CD1 3.9Å; L128-F152 HydrophobicContact CD2-CE1 3.94Å; L131-F152 HydrophobicContact CD1-CD1 3.94Å; L131-F152 HydrophobicContact CD1-CE1 3.91Å; V144-F152 HydrophobicContact CG1-CD2 4.01Å; V144-F152 HydrophobicContact CG1-CE2 4.3Å; Y149-F152 WeakPolarHBondContact O-CB 3.13Å; Y149-F152 PolarHBondContact O-N 2.95Å; F152-V154 PolarHBondContact O-N 3.4Å; F152-F155 WeakPolarHBondContact O-CB 3.42Å; F152-F155 PolarHBondContact O-N 3.05Å; F152-F156 HydrophobicContact CB-CD2 4.41Å; F152-F156 WeakPolarHBondContact O-CB 3.29Å; F152-F156 VanDerWaalsContact O-CD2 3.23Å; F152-F156 WeakPolarHBondContact O-CD2 2.94Å; F152-F156 PolarHBondContact O-N 3.35Å; F152-F179 HydrophobicContact CB-CE2 4.42Å; F152-F179 HydrophobicContact CB-CZ 4.09Å
153	D	98.6	Very high	98.4	Very high	59 Å²	59	56 Å²	56	32%	0.316	27%	0.274	S	S	.	.	H	α-helix	trans	-59.3	-47.4	177.8	-172.5	53.2	0	0	0	111.8	Y149 S150 F155 F156 H157	Y149-D153 HydrophobicContact CE1-CB 4.12Å; Y149-D153 PolarHBondContact O-N 2.95Å; S150-D153 PolarHBondContact O-N 3.26Å; D153-F155 PolarHBondContact O-N 3.37Å; D153-F156 PolarHBondContact O-N 3.33Å; D153-H157 WeakPolarHBondContact O-CB 3.31Å; D153-H157 PolarHBondContact O-N 2.83Å
154	V	98.6	Very high	98.4	Very high	74 Å²	74	56.4 Å²	56.4	45%	0.448	28%	0.277	S	S	.	.	H	α-helix	trans	-62.3	-43.4	175	170.7	0	0	0	0	111.5	S150 F152 F156 H157 K158	S150-V154 WeakPolarHBondContact O-CB 3.47Å; S150-V154 VanDerWaalsContact O-CG2 3.27Å; S150-V154 WeakPolarHBondContact O-CG2 3.17Å; S150-V154 PolarHBondContact O-N 3.31Å; F152-V154 PolarHBondContact O-N 3.4Å; V154-F156 PolarHBondContact O-N 2.66Å; V154-H157 PolarHBondContact O-N 2.98Å; V154-K158 HydrophobicContact CG1-CD 4.18Å; V154-K158 WeakPolarHBondContact O-CG 3.38Å; V154-K158 PolarHBondContact O-N 2.77Å; V154-K158 VanDerWaalsContact O-N 3.08Å
155	F	98.7	Very high	98.4	Very high	15 Å²	15	58.5 Å²	58.5	7%	0.066	29%	0.286	C	S	.	.	H	α-helix	trans	-58.4	-47.8	178.4	167.7	-88.1	0	0	0	112	L128 L131 K132 M151 F152 D153 R159	L128-F155 HydrophobicContact CB-CD2 4.01Å; L128-F155 HydrophobicContact CB-CE2 3.82Å; L128-F155 HydrophobicContact CD1-CD2 4.36Å; L128-F155 HydrophobicContact CD2-CB 3.96Å; L128-F155 HydrophobicContact CD2-CD1 4.2Å; L128-F155 HydrophobicContact CD2-CD2 3.64Å; L128-F155 HydrophobicContact CD2-CE2 4.11Å; L128-F155 HydrophobicContact CD2-CG 3.69Å; L128-F155 HydrophobicContact CG-CD2 4.21Å; L128-F155 HydrophobicContact CG-CE2 4.47Å; L128-F155 WeakPolarHBondContact O-CE2 3.46Å; L128-F155 WeakPolarHBondContact O-CZ 3.48Å; L131-F155 HydrophobicContact CB-CE1 3.91Å; L131-F155 HydrophobicContact CB-CZ 4Å; K132-F155 HydrophobicContact CB-CE2 4.33Å; K132-F155 HydrophobicContact CB-CZ 3.94Å; M151-F155 VanDerWaalsContact O-CB 3.23Å; M151-F155 WeakPolarHBondContact O-CB 3.42Å; M151-F155 PolarHBondContact O-N 3.11Å; F152-F155 WeakPolarHBondContact O-CB 3.42Å; F152-F155 PolarHBondContact O-N 3.05Å; D153-F155 PolarHBondContact O-N 3.37Å; F155-R159 VanDerWaalsContact CD2-CZ 3.41Å; F155-R159 PolarHBondContact O-NH1 3.45Å
156	F	98.8	Very high	98.4	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.009	29%	0.293	C	S	.	.	H	α-helix	trans	-71.8	-41.8	-179.6	-85.9	-64.3	0	0	0	111.4	L131 F139 L141 F152 D153 V154 K158 R159 K160 Y161 F179	L131-F156 HydrophobicContact CB-CZ 4.45Å; L131-F156 HydrophobicContact CD1-CE2 4.17Å; L131-F156 HydrophobicContact CD1-CZ 4.14Å; L131-F156 HydrophobicContact CD2-CZ 4.31Å; F139-F156 HydrophobicContact CB-CZ 4.22Å; F139-F156 AromaticContact CD2-CE1 3.46Å; F139-F156 HydrophobicContact CD2-CE1 3.46Å; F139-F156 VanDerWaalsContact CD2-CE1 3.46Å; F139-F156 AromaticContact CD2-CZ 3.82Å; F139-F156 HydrophobicContact CD2-CZ 3.82Å; F139-F156 AromaticContact CE2-CE1 3.73Å; F139-F156 HydrophobicContact CE2-CE1 3.73Å; F139-F156 HydrophobicContact CE2-CZ 4.26Å; F139-F156 HydrophobicContact CG-CE1 4.09Å; F139-F156 AromaticContact CG-CZ 3.95Å; F139-F156 HydrophobicContact CG-CZ 3.95Å; L141-F156 HydrophobicContact CD1-CE2 4.12Å; F152-F156 HydrophobicContact CB-CD2 4.41Å; F152-F156 WeakPolarHBondContact O-CB 3.29Å; F152-F156 VanDerWaalsContact O-CD2 3.23Å; F152-F156 WeakPolarHBondContact O-CD2 2.94Å; F152-F156 PolarHBondContact O-N 3.35Å; D153-F156 PolarHBondContact O-N 3.33Å; V154-F156 PolarHBondContact O-N 2.66Å; F156-K158 PolarHBondContact O-N 2.8Å; F156-R159 CarbonylContact O-C 3.51Å; F156-R159 WeakPolarHBondContact O-CA 3.32Å; F156-R159 PolarHBondContact O-N 2.83Å; F156-K160 PolarHBondContact O-N 3.29Å; F156-Y161 HydrophobicContact CD1-CD1 4.01Å; F156-Y161 HydrophobicContact CD1-CD2 4.07Å; F156-Y161 AromaticContact CD1-CG 3.71Å; F156-Y161 HydrophobicContact CD1-CG 3.71Å; F156-Y161 HydrophobicContact CE1-CD1 4.41Å; F156-Y161 HydrophobicContact CE1-CG 4.48Å; F156-Y161 WeakPolarHBondContact O-CB 3.44Å; F156-Y161 PolarHBondContact O-N 3.04Å; F156-F179 HydrophobicContact CB-CD1 3.6Å; F156-F179 HydrophobicContact CB-CE1 3.89Å; F156-F179 HydrophobicContact CB-CG 4.24Å; F156-F179 HydrophobicContact CD1-CB 4.05Å; F156-F179 HydrophobicContact CD1-CD1 4.36Å; F156-F179 HydrophobicContact CD1-CG 4.16Å; F156-F179 HydrophobicContact CD2-CB 4.24Å; F156-F179 AromaticContact CD2-CD1 3.51Å; F156-F179 HydrophobicContact CD2-CD1 3.51Å; F156-F179 AromaticContact CD2-CD2 3.53Å; F156-F179 HydrophobicContact CD2-CD2 3.53Å; F156-F179 AromaticContact CD2-CE1 3.61Å; F156-F179 HydrophobicContact CD2-CE1 3.61Å; F156-F179 AromaticContact CD2-CE2 3.6Å; F156-F179 HydrophobicContact CD2-CE2 3.6Å; F156-F179 AromaticContact CD2-CG 3.48Å; F156-F179 HydrophobicContact CD2-CG 3.48Å; F156-F179 VanDerWaalsContact CD2-CG 3.48Å; F156-F179 AromaticContact CD2-CZ 3.63Å; F156-F179 HydrophobicContact CD2-CZ 3.63Å; F156-F179 HydrophobicContact CE1-CB 4.19Å; F156-F179 HydrophobicContact CE1-CG 4.42Å; F156-F179 HydrophobicContact CE2-CB 4.38Å; F156-F179 HydrophobicContact CE2-CD1 4.29Å; F156-F179 AromaticContact CE2-CD2 3.45Å; F156-F179 HydrophobicContact CE2-CD2 3.45Å; F156-F179 VanDerWaalsContact CE2-CD2 3.45Å; F156-F179 HydrophobicContact CE2-CE1 4.48Å; F156-F179 AromaticContact CE2-CE2 3.66Å; F156-F179 HydrophobicContact CE2-CE2 3.66Å; F156-F179 AromaticContact CE2-CG 3.79Å; F156-F179 HydrophobicContact CE2-CG 3.79Å; F156-F179 HydrophobicContact CE2-CZ 4.17Å; F156-F179 HydrophobicContact CG-CB 4.08Å; F156-F179 AromaticContact CG-CD1 3.57Å; F156-F179 HydrophobicContact CG-CD1 3.57Å; F156-F179 HydrophobicContact CG-CD2 4.22Å; F156-F179 AromaticContact CG-CE1 4Å; F156-F179 HydrophobicContact CG-CE1 4Å; F156-F179 AromaticContact CG-CG 3.7Å; F156-F179 HydrophobicContact CG-CG 3.7Å; F156-F179 HydrophobicContact CG-CZ 4.46Å; F156-F179 HydrophobicContact CZ-CB 4.35Å; F156-F179 HydrophobicContact CZ-CD2 4.08Å; F156-F179 HydrophobicContact CZ-CG 4.25Å
157	H	98.6	Very high	98.5	Very high	106 Å²	106	59.1 Å²	59.1	49%	0.491	29%	0.287	S	S	.	.	H	α-helix	trans	-56.9	-46.8	176.9	-175.2	91.7	0	0	0	112.1	D153 V154 R159 K160	D153-H157 WeakPolarHBondContact O-CB 3.31Å; D153-H157 PolarHBondContact O-N 2.83Å; V154-H157 PolarHBondContact O-N 2.98Å; H157-R159 PolarHBondContact O-N 3.47Å; H157-K160 PolarHBondContact O-N 3.1Å
158	K	98.5	Very high	98.5	Very high	150 Å²	150	55.6 Å²	55.6	65%	0.652	27%	0.265	S	S	*	.	H	α-helix	trans	-58	-30.7	176.3	-75.2	177.3	179.2	178.8	0	112.4	V154 F156 K160	V154-K158 HydrophobicContact CG1-CD 4.18Å; V154-K158 WeakPolarHBondContact O-CG 3.38Å; V154-K158 PolarHBondContact O-N 2.77Å; V154-K158 VanDerWaalsContact O-N 3.08Å; F156-K158 PolarHBondContact O-N 2.8Å; K158-K160 VanDerWaalsContact C-N 3.3Å
159	R	98.4	Very high	98.5	Very high	92 Å²	92	55.7 Å²	55.7	35%	0.347	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	13.3	177.6	-69.7	165.3	179.4	71.2	-0.9	113.7	F155 F156 H157 Y161	F155-R159 VanDerWaalsContact CD2-CZ 3.41Å; F155-R159 PolarHBondContact O-NH1 3.45Å; F156-R159 CarbonylContact O-C 3.51Å; F156-R159 WeakPolarHBondContact O-CA 3.32Å; F156-R159 PolarHBondContact O-N 2.83Å; H157-R159 PolarHBondContact O-N 3.47Å; R159-Y161 VanDerWaalsContact C-N 3.3Å; R159-Y161 HydrophobicContact CB-CD2 3.82Å; R159-Y161 HydrophobicContact CB-CE2 4.1Å; R159-Y161 VanDerWaalsContact O-CD2 3.26Å; R159-Y161 WeakPolarHBondContact O-CD2 3.44Å; R159-Y161 WeakPolarHBondContact O-CE2 3.2Å; R159-Y161 PolarHBondContact O-N 3.06Å
160	K	98.4	Very high	98.4	Very high	109 Å²	109	56.8 Å²	56.8	47%	0.474	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	30	179.4	-45.8	-57.9	179.3	-176.1	0	113.5	F156 H157 K158 R182	F156-K160 PolarHBondContact O-N 3.29Å; H157-K160 PolarHBondContact O-N 3.1Å; K158-K160 VanDerWaalsContact C-N 3.3Å; K160-R182 WeakPolarHBondContact O-CB 3.46Å; K160-R182 WeakPolarHBondContact O-CG 3.5Å; K160-R182 PolarHBondContact O-N 2.91Å
161	Y	98.8	Very high	98.2	Very high	10 Å²	10	59 Å²	59	4%	0.039	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	164.4	165.6	-69.3	-108.9	0	0	0	110.3	A136 F139 F156 R159 F179 W180 N181 R182	A136-Y161 VanDerWaalsContact O-CE1 3.27Å; A136-Y161 WeakPolarHBondContact O-CE1 3.41Å; A136-Y161 PolarHBondContact O-OH 2.78Å; F139-Y161 HydrophobicContact CD2-CE1 4.25Å; F139-Y161 HydrophobicContact CE2-CE1 4.27Å; F156-Y161 HydrophobicContact CD1-CD1 4.01Å; F156-Y161 HydrophobicContact CD1-CD2 4.07Å; F156-Y161 AromaticContact CD1-CG 3.71Å; F156-Y161 HydrophobicContact CD1-CG 3.71Å; F156-Y161 HydrophobicContact CE1-CD1 4.41Å; F156-Y161 HydrophobicContact CE1-CG 4.48Å; F156-Y161 WeakPolarHBondContact O-CB 3.44Å; F156-Y161 PolarHBondContact O-N 3.04Å; R159-Y161 VanDerWaalsContact C-N 3.3Å; R159-Y161 HydrophobicContact CB-CD2 3.82Å; R159-Y161 HydrophobicContact CB-CE2 4.1Å; R159-Y161 VanDerWaalsContact O-CD2 3.26Å; R159-Y161 WeakPolarHBondContact O-CD2 3.44Å; R159-Y161 WeakPolarHBondContact O-CE2 3.2Å; R159-Y161 PolarHBondContact O-N 3.06Å; Y161-F179 HydrophobicContact CD1-CB 4.48Å; Y161-W180 CarbonylContact C-O 3.39Å; Y161-W180 WeakPolarHBondContact CA-O 3.36Å; Y161-W180 WeakPolarHBondContact CB-O 3.39Å; Y161-W180 WeakPolarHBondContact CD1-O 3.42Å; Y161-N181 HydrophobicContact CD1-CB 4.28Å; Y161-N181 VanDerWaalsContact CD1-N 3.31Å; Y161-N181 HydrophobicContact CE1-CB 3.79Å; Y161-R182 VanDerWaalsContact O-CD 3.31Å; Y161-R182 WeakPolarHBondContact O-CD 3.31Å
162	K	98.5	Very high	98.1	Very high	110 Å²	110	58.3 Å²	58.3	48%	0.478	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.2	163.2	-177.5	171	179.6	-178.1	0	106.7	F179 W180 R182	K162-F179 CarbonylContact O-C 3.53Å; K162-F179 VanDerWaalsContact O-CA 3.3Å; K162-F179 WeakPolarHBondContact O-CA 3.36Å; K162-W180 HydrophobicContact CB-CZ2 3.75Å; K162-W180 HydrophobicContact CD-CZ2 3.84Å; K162-W180 HydrophobicContact CG-CH2 4.14Å; K162-W180 HydrophobicContact CG-CZ2 3.6Å; K162-W180 PolarHBondContact N-O 2.91Å; K162-W180 PolarHBondContact O-N 2.89Å; K162-R182 HydrophobicContact CB-CG 3.81Å
163	G	98.6	Very high	98.1	Very high	11 Å²	11	59.8 Å²	59.8	11%	0.113	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	168.3	175.5	0	0	0	0	0	114	V178 F179	G163-V178 CarbonylContact C-O 3.54Å; G163-V178 WeakPolarHBondContact CA-O 3.33Å; G163-F179 VanDerWaalsContact CA-CD1 3.47Å
164	V	98.8	Very high	98.1	Very high	26 Å²	26	57.4 Å²	57.4	16%	0.158	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	151.3	161.7	-71	0	0	0	0	108.5	A177 V178 W180 L187 L209 V211	V164-A177 CarbonylContact O-C 2.97Å; V164-A177 VanDerWaalsContact O-CA 3.28Å; V164-A177 WeakPolarHBondContact O-CA 2.82Å; V164-V178 HydrophobicContact CG2-CB 4.34Å; V164-V178 PolarHBondContact N-O 3.41Å; V164-V178 PolarHBondContact O-N 2.84Å; V164-W180 HydrophobicContact CG1-CH2 4.1Å; V164-W180 HydrophobicContact CG1-CZ3 4.44Å; V164-W180 HydrophobicContact CG2-CZ3 4.13Å; V164-L187 HydrophobicContact CG1-CD2 4.25Å; V164-L209 HydrophobicContact CG2-CD1 4.15Å; V164-L209 HydrophobicContact CG2-CD2 3.96Å; V164-L209 HydrophobicContact CG2-CG 4.19Å; V164-V211 HydrophobicContact CG2-CG1 3.33Å
165	Y	98.8	Very high	98.1	Very high	44 Å²	44	54 Å²	54	17%	0.173	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141.7	178.8	166.8	-103.3	0	0	0	110.2	V144 H146 Y149 K167 C176 A177	V144-Y165 HydrophobicContact CB-CD2 4.32Å; V144-Y165 HydrophobicContact CB-CE2 3.93Å; V144-Y165 HydrophobicContact CG1-CD2 4.46Å; V144-Y165 HydrophobicContact CG1-CE2 4.23Å; V144-Y165 WeakPolarHBondContact O-CE2 3.33Å; V144-Y165 PolarHBondContact O-OH 2.53Å; V144-Y165 VanDerWaalsContact O-OH 3.13Å; H146-Y165 WeakPolarHBondContact CA-OH 3.42Å; H146-Y165 HydrophobicContact CB-CE1 4.46Å; H146-Y165 PolarHBondContact N-OH 2.99Å; Y149-Y165 HydrophobicContact CD1-CD1 4.07Å; Y149-Y165 HydrophobicContact CD1-CG 4.25Å; Y149-Y165 HydrophobicContact CD2-CD1 4.18Å; Y149-Y165 AromaticContact CD2-CD2 3.83Å; Y149-Y165 HydrophobicContact CD2-CD2 3.83Å; Y149-Y165 AromaticContact CD2-CG 3.63Å; Y149-Y165 HydrophobicContact CD2-CG 3.63Å; Y149-Y165 HydrophobicContact CE1-CD1 4.4Å; Y149-Y165 HydrophobicContact CE1-CG 4.36Å; Y149-Y165 HydrophobicContact CE2-CD2 4.19Å; Y149-Y165 AromaticContact CE2-CG 3.76Å; Y149-Y165 HydrophobicContact CE2-CG 3.76Å; Y149-Y165 AromaticContact CG-CD1 3.95Å; Y149-Y165 HydrophobicContact CG-CD1 3.95Å; Y149-Y165 HydrophobicContact CG-CD2 4.31Å; Y149-Y165 HydrophobicContact CG-CE1 4.42Å; Y149-Y165 AromaticContact CG-CG 3.89Å; Y149-Y165 HydrophobicContact CG-CG 3.89Å; Y165-K167 HydrophobicContact CE1-CB 3.86Å; Y165-K167 WeakPolarHBondContact OH-CA 3.37Å; Y165-C176 WeakPolarHBondContact CA-O 3.32Å; Y165-C176 VanDerWaalsContact CD2-O 3.22Å; Y165-C176 WeakPolarHBondContact CD2-O 3.39Å; Y165-A177 HydrophobicContact CD2-CB 4.12Å
166	K	98.8	Very high	98.1	Very high	42 Å²	42	53.3 Å²	53.3	18%	0.183	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	111.3	173.1	174.3	58.9	172.3	135.2	0	108.8	G175 C176 A192 E194 I207 L209	K166-G175 CarbonylContact O-C 3.58Å; K166-G175 WeakPolarHBondContact O-CA 3.23Å; K166-C176 PolarHBondContact N-O 3.08Å; K166-C176 PolarHBondContact O-N 3.37Å; K166-A192 HydrophobicContact CB-CB 4.23Å; K166-A192 HydrophobicContact CD-CB 3.78Å; K166-A192 HydrophobicContact CG-CB 3.73Å; K166-E194 WeakPolarHBondContact CE-OE1 3.32Å; K166-E194 IonicContact NZ-OE1 3.2Å; K166-E194 PolarHBondContact NZ-OE1 2.8Å; K166-I207 HydrophobicContact CB-CD1 4.09Å; K166-I207 HydrophobicContact CG-CB 4.34Å; K166-I207 HydrophobicContact CG-CD1 3.91Å; K166-I207 HydrophobicContact CG-CG1 4.13Å; K166-I207 HydrophobicContact CG-CG2 4.49Å; K166-L209 HydrophobicContact CB-CD1 4.22Å; K166-L209 HydrophobicContact CB-CD2 4.28Å
167	K	98.7	Very high	98.1	Very high	68 Å²	68	53.2 Å²	53.2	30%	0.296	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	139.7	165.1	-167.9	-177.8	170.5	164	0	109.6	H146 Y165 K172 N173	H146-K167 HydrophobicContact CB-CD 3.86Å; H146-K167 HydrophobicContact CB-CG 4.25Å; Y165-K167 HydrophobicContact CE1-CB 3.86Å; Y165-K167 WeakPolarHBondContact OH-CA 3.37Å; K167-K172 WeakPolarHBondContact CE-O 3.49Å; K167-K172 PolarHBondContact NZ-O 3.06Å; K167-N173 PolarHBondContact NZ-OD1 3.41Å
168	R	98.4	Very high	98.1	Very high	39 Å²	39	48.1 Å²	48.1	15%	0.147	24%	0.238	C	C	.	.			trans	-56.4	155.9	167.8	-75.1	170.1	68.6	-175.8	6.5	110.9	K172 D174 D205 I207	R168-K172 HydrophobicContact CB-CB 3.62Å; R168-K172 HydrophobicContact CB-CG 4.23Å; R168-D174 WeakPolarHBondContact CB-O 3.46Å; R168-D174 WeakPolarHBondContact CD-OD2 3.44Å; R168-D174 IonicContact CZ-OD1 2.95Å; R168-D174 IonicContact CZ-OD2 3.16Å; R168-D174 PolarHBondContact N-O 3.26Å; R168-D174 IonicContact NE-OD2 3.29Å; R168-D174 IonicContact NH1-OD1 3.97Å; R168-D174 PolarHBondContact NH1-OD1 3.27Å; R168-D174 VanDerWaalsContact NH1-OD1 3.14Å; R168-D174 IonicContact NH1-OD2 2.71Å; R168-D174 PolarHBondContact NH1-OD2 3.43Å; R168-D205 VanDerWaalsContact CB-O 3.26Å; R168-D205 WeakPolarHBondContact CB-O 3.5Å; R168-D205 WeakPolarHBondContact CG-O 3.21Å; R168-D205 PolarHBondContact NE-O 2.82Å; R168-I207 HydrophobicContact CG-CG1 3.87Å; R168-I207 HydrophobicContact CG-CG2 4.42Å
169	T	97.7	Very high	98.1	Very high	24 Å²	24	41 Å²	41	15%	0.147	21%	0.207	C	C	.	.	S	Bend	trans	-77.5	-178.8	178.3	54.3	0	0	0	0	111	E194 D205	T169-E194 HydrophobicContact CG2-CB 4.15Å; T169-E194 HydrophobicContact CG2-CG 3.69Å; T169-E194 VanDerWaalsContact CG2-OE1 3.28Å; T169-E194 WeakPolarHBondContact CG2-OE1 3.29Å; T169-D205 WeakPolarHBondContact CB-OD1 3.39Å; T169-D205 PolarHBondContact N-O 3.08Å; T169-D205 VanDerWaalsContact O-CB 3.29Å; T169-D205 WeakPolarHBondContact O-CB 3.12Å; T169-D205 VanDerWaalsContact OG1-CA 3.26Å; T169-D205 WeakPolarHBondContact OG1-CA 3.39Å; T169-D205 WeakPolarHBondContact OG1-CB 3.33Å; T169-D205 PolarHBondContact OG1-OD1 2.83Å
170	G	95.9	Very high	98.1	Very high	64 Å²	64	36.7 Å²	36.7	66%	0.66	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	-140.9	177.4	0	0	0	0	0	113.1	K172 D205	G170-K172 VanDerWaalsContact C-N 3.34Å; G170-D205 PolarHBondContact N-OD1 3.4Å
171	D	94.7	Very high	98.1	Very high	122 Å²	122	32.5 Å²	32.5	65%	0.652	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	3.3	-177.2	70	-13.5	0	0	0	113.9
172	K	96.2	Very high	98.1	Very high	57 Å²	57	37.3 Å²	37.3	25%	0.248	19%	0.192	C	C	.	.			trans	-74.2	137.2	-174.3	-56.8	-59.7	171.7	-124.7	0	110.7	K167 R168 G170 D205	K167-K172 WeakPolarHBondContact CE-O 3.49Å; K167-K172 PolarHBondContact NZ-O 3.06Å; R168-K172 HydrophobicContact CB-CB 3.62Å; R168-K172 HydrophobicContact CB-CG 4.23Å; G170-K172 VanDerWaalsContact C-N 3.34Å; K172-D205 HydrophobicContact CG-CB 4.1Å
173	N	97.3	Very high	98	Very high	31 Å²	31	40.7 Å²	40.7	17%	0.166	20%	0.202	C	C	.	.			trans	-93.8	-20	-178.8	-157.2	44.8	0	0	0	113.7	S101 D145 H146 N147 K167	S101-N173 PolarHBondContact OG-ND2 3.45Å; D145-N173 PolarHBondContact OD1-ND2 2.98Å; H146-N173 WeakPolarHBondContact CB-O 3.07Å; H146-N173 PolarHBondContact N-O 3.31Å; N147-N173 PolarHBondContact ND2-ND2 2.93Å; N147-N173 VanDerWaalsContact ND2-ND2 3.1Å; K167-N173 PolarHBondContact NZ-OD1 3.41Å
174	D	98.2	Very high	97.9	Very high	10 Å²	10	42.9 Å²	42.9	5%	0.053	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	172.1	-177.3	66.7	-55.3	0	0	0	113	V144 R168	V144-D174 CarbonylContact O-C 3.58Å; V144-D174 WeakPolarHBondContact O-CA 3.3Å; R168-D174 WeakPolarHBondContact CB-O 3.46Å; R168-D174 WeakPolarHBondContact CD-OD2 3.44Å; R168-D174 IonicContact CZ-OD1 2.95Å; R168-D174 IonicContact CZ-OD2 3.16Å; R168-D174 PolarHBondContact N-O 3.26Å; R168-D174 IonicContact NE-OD2 3.29Å; R168-D174 IonicContact NH1-OD1 3.97Å; R168-D174 PolarHBondContact NH1-OD1 3.27Å; R168-D174 VanDerWaalsContact NH1-OD1 3.14Å; R168-D174 IonicContact NH1-OD2 2.71Å; R168-D174 PolarHBondContact NH1-OD2 3.43Å
175	G	98.6	Very high	97.8	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	-173.1	-180	0	0	0	0	0	113.4	E143 V144 K166	E143-G175 PolarHBondContact N-O 3.16Å; E143-G175 VanDerWaalsContact N-O 3.17Å; V144-G175 PolarHBondContact N-O 3.48Å; V144-G175 PolarHBondContact O-N 3.37Å; K166-G175 CarbonylContact O-C 3.58Å; K166-G175 WeakPolarHBondContact O-CA 3.23Å
176	C	98.9	Very high	97.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	144.3	173.4	-65	0	0	0	0	110.4	L141 Y165 K166 I207 L209	L141-C176 CarbonylContact O-C 3.5Å; L141-C176 VanDerWaalsContact O-CA 3.29Å; L141-C176 WeakPolarHBondContact O-CA 3.49Å; Y165-C176 WeakPolarHBondContact CA-O 3.32Å; Y165-C176 VanDerWaalsContact CD2-O 3.22Å; Y165-C176 WeakPolarHBondContact CD2-O 3.39Å; K166-C176 PolarHBondContact N-O 3.08Å; K166-C176 PolarHBondContact O-N 3.37Å; C176-I207 HydrophobicContact CB-CD1 3.56Å; C176-L209 HydrophobicContact CB-CB 4.37Å; C176-L209 WeakPolarHBondContact O-CD2 3.34Å
177	A	98.9	Very high	97.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	149.7	171.1	0	0	0	0	0	111.1	L141 V144 Y149 V164 Y165 F179 N239	L141-A177 HydrophobicContact CB-CB 4.4Å; L141-A177 PolarHBondContact N-O 3.32Å; L141-A177 PolarHBondContact O-N 3.38Å; V144-A177 HydrophobicContact CG2-CB 4.11Å; Y149-A177 HydrophobicContact CE2-CB 4.36Å; V164-A177 CarbonylContact O-C 2.97Å; V164-A177 VanDerWaalsContact O-CA 3.28Å; V164-A177 WeakPolarHBondContact O-CA 2.82Å; Y165-A177 HydrophobicContact CD2-CB 4.12Å; A177-F179 HydrophobicContact CB-CD2 4.15Å; A177-F179 HydrophobicContact CB-CE2 3.56Å; A177-F179 HydrophobicContact CB-CZ 4.25Å; A177-N239 PolarHBondContact O-ND2 3.34Å
178	V	98.9	Very high	97.8	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120.5	167	-176	0	0	0	0	108.5	I138 F139 G163 V164 W180 L209 V211 V237 N239	I138-V178 HydrophobicContact CG2-CG1 4.24Å; F139-V178 CarbonylContact O-C 3.55Å; F139-V178 VanDerWaalsContact O-CA 3.28Å; F139-V178 WeakPolarHBondContact O-CA 3.46Å; G163-V178 CarbonylContact C-O 3.54Å; G163-V178 WeakPolarHBondContact CA-O 3.33Å; V164-V178 HydrophobicContact CG2-CB 4.34Å; V164-V178 PolarHBondContact N-O 3.41Å; V164-V178 PolarHBondContact O-N 2.84Å; V178-W180 HydrophobicContact CG1-CE3 4.43Å; V178-W180 WeakPolarHBondContact O-CZ3 3.5Å; V178-L209 HydrophobicContact CG2-CD2 4.18Å; V178-L209 HydrophobicContact CG2-CG 4.23Å; V178-V211 HydrophobicContact CB-CG1 4.32Å; V178-V211 HydrophobicContact CB-CG2 4.35Å; V178-V211 HydrophobicContact CG1-CG2 3.7Å; V178-V237 HydrophobicContact CG1-CG1 4.35Å; V178-N239 HydrophobicContact CG2-CB 3.62Å
179	F	98.9	Very high	97.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142	174.9	-64.1	-85.8	0	0	0	110.4	I138 F139 L141 Y149 F152 F156 Y161 K162 G163 A177	I138-F179 CarbonylContact C-O 3.59Å; I138-F179 VanDerWaalsContact CA-O 3.26Å; I138-F179 WeakPolarHBondContact CA-O 3.32Å; F139-F179 HydrophobicContact CB-CB 4.37Å; F139-F179 PolarHBondContact N-O 2.95Å; F139-F179 PolarHBondContact O-N 2.92Å; L141-F179 HydrophobicContact CD1-CD2 4.12Å; L141-F179 HydrophobicContact CD1-CE2 3.99Å; Y149-F179 HydrophobicContact CD2-CZ 4.49Å; Y149-F179 HydrophobicContact CE2-CE1 4.4Å; Y149-F179 HydrophobicContact CE2-CE2 4.46Å; Y149-F179 AromaticContact CE2-CZ 3.67Å; Y149-F179 HydrophobicContact CE2-CZ 3.67Å; F152-F179 HydrophobicContact CB-CE2 4.42Å; F152-F179 HydrophobicContact CB-CZ 4.09Å; F156-F179 HydrophobicContact CB-CD1 3.6Å; F156-F179 HydrophobicContact CB-CE1 3.89Å; F156-F179 HydrophobicContact CB-CG 4.24Å; F156-F179 HydrophobicContact CD1-CB 4.05Å; F156-F179 HydrophobicContact CD1-CD1 4.36Å; F156-F179 HydrophobicContact CD1-CG 4.16Å; F156-F179 HydrophobicContact CD2-CB 4.24Å; F156-F179 AromaticContact CD2-CD1 3.51Å; F156-F179 HydrophobicContact CD2-CD1 3.51Å; F156-F179 AromaticContact CD2-CD2 3.53Å; F156-F179 HydrophobicContact CD2-CD2 3.53Å; F156-F179 AromaticContact CD2-CE1 3.61Å; F156-F179 HydrophobicContact CD2-CE1 3.61Å; F156-F179 AromaticContact CD2-CE2 3.6Å; F156-F179 HydrophobicContact CD2-CE2 3.6Å; F156-F179 AromaticContact CD2-CG 3.48Å; F156-F179 HydrophobicContact CD2-CG 3.48Å; F156-F179 VanDerWaalsContact CD2-CG 3.48Å; F156-F179 AromaticContact CD2-CZ 3.63Å; F156-F179 HydrophobicContact CD2-CZ 3.63Å; F156-F179 HydrophobicContact CE1-CB 4.19Å; F156-F179 HydrophobicContact CE1-CG 4.42Å; F156-F179 HydrophobicContact CE2-CB 4.38Å; F156-F179 HydrophobicContact CE2-CD1 4.29Å; F156-F179 AromaticContact CE2-CD2 3.45Å; F156-F179 HydrophobicContact CE2-CD2 3.45Å; F156-F179 VanDerWaalsContact CE2-CD2 3.45Å; F156-F179 HydrophobicContact CE2-CE1 4.48Å; F156-F179 AromaticContact CE2-CE2 3.66Å; F156-F179 HydrophobicContact CE2-CE2 3.66Å; F156-F179 AromaticContact CE2-CG 3.79Å; F156-F179 HydrophobicContact CE2-CG 3.79Å; F156-F179 HydrophobicContact CE2-CZ 4.17Å; F156-F179 HydrophobicContact CG-CB 4.08Å; F156-F179 AromaticContact CG-CD1 3.57Å; F156-F179 HydrophobicContact CG-CD1 3.57Å; F156-F179 HydrophobicContact CG-CD2 4.22Å; F156-F179 AromaticContact CG-CE1 4Å; F156-F179 HydrophobicContact CG-CE1 4Å; F156-F179 AromaticContact CG-CG 3.7Å; F156-F179 HydrophobicContact CG-CG 3.7Å; F156-F179 HydrophobicContact CG-CZ 4.46Å; F156-F179 HydrophobicContact CZ-CB 4.35Å; F156-F179 HydrophobicContact CZ-CD2 4.08Å; F156-F179 HydrophobicContact CZ-CG 4.25Å; Y161-F179 HydrophobicContact CD1-CB 4.48Å; K162-F179 CarbonylContact O-C 3.53Å; K162-F179 VanDerWaalsContact O-CA 3.3Å; K162-F179 WeakPolarHBondContact O-CA 3.36Å; G163-F179 VanDerWaalsContact CA-CD1 3.47Å; A177-F179 HydrophobicContact CB-CD2 4.15Å; A177-F179 HydrophobicContact CB-CE2 3.56Å; A177-F179 HydrophobicContact CB-CZ 4.25Å
180	W	98.8	Very high	97.8	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.008	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148.2	177.1	61.4	86.9	0	0	0	112.6	D137 I138 Y161 K162 V164 V178 R182 F185 L187 V211 L213	D137-W180 CarbonylContact O-C 3.55Å; D137-W180 VanDerWaalsContact O-CA 3.29Å; D137-W180 WeakPolarHBondContact O-CA 3.26Å; I138-W180 HydrophobicContact CG1-CB 4.13Å; Y161-W180 CarbonylContact C-O 3.39Å; Y161-W180 WeakPolarHBondContact CA-O 3.36Å; Y161-W180 WeakPolarHBondContact CB-O 3.39Å; Y161-W180 WeakPolarHBondContact CD1-O 3.42Å; K162-W180 HydrophobicContact CB-CZ2 3.75Å; K162-W180 HydrophobicContact CD-CZ2 3.84Å; K162-W180 HydrophobicContact CG-CH2 4.14Å; K162-W180 HydrophobicContact CG-CZ2 3.6Å; K162-W180 PolarHBondContact N-O 2.91Å; K162-W180 PolarHBondContact O-N 2.89Å; V164-W180 HydrophobicContact CG1-CH2 4.1Å; V164-W180 HydrophobicContact CG1-CZ3 4.44Å; V164-W180 HydrophobicContact CG2-CZ3 4.13Å; V178-W180 HydrophobicContact CG1-CE3 4.43Å; V178-W180 WeakPolarHBondContact O-CZ3 3.5Å; W180-R182 PolarHBondContact O-N 3.18Å; W180-F185 HydrophobicContact CB-CB 4.32Å; W180-F185 HydrophobicContact CB-CD2 4.33Å; W180-F185 HydrophobicContact CG-CB 4.19Å; W180-L187 HydrophobicContact CH2-CB 4.13Å; W180-L187 HydrophobicContact CH2-CD1 3.93Å; W180-L187 HydrophobicContact CH2-CD2 4.05Å; W180-L187 HydrophobicContact CH2-CG 4.28Å; W180-L187 HydrophobicContact CZ2-CB 3.64Å; W180-L187 HydrophobicContact CZ2-CD1 4.24Å; W180-L187 HydrophobicContact CZ2-CD2 4.29Å; W180-L187 HydrophobicContact CZ2-CG 4.29Å; W180-L187 HydrophobicContact CZ3-CD1 4.44Å; W180-V211 HydrophobicContact CZ3-CG1 4.21Å; W180-L213 HydrophobicContact CB-CD1 3.87Å; W180-L213 HydrophobicContact CD2-CD1 4.46Å; W180-L213 HydrophobicContact CD2-CD2 3.65Å; W180-L213 HydrophobicContact CE3-CD2 3.95Å; W180-L213 HydrophobicContact CG-CD1 4.12Å; W180-L213 HydrophobicContact CG-CD2 3.91Å; W180-L213 HydrophobicContact CZ3-CD2 4.49Å
181	N	98.6	Very high	97.9	Very high	21 Å²	21	44.2 Å²	44.2	11%	0.112	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	113.8	177.5	-177.2	-14.3	0	0	0	110.1	D137 Y161 R183 K184 F185	D137-N181 HydrophobicContact CB-CB 4.22Å; D137-N181 WeakPolarHBondContact O-CB 3.46Å; D137-N181 PolarHBondContact O-N 2.95Å; D137-N181 PolarHBondContact OD1-ND2 2.92Å; Y161-N181 HydrophobicContact CD1-CB 4.28Å; Y161-N181 VanDerWaalsContact CD1-N 3.31Å; Y161-N181 HydrophobicContact CE1-CB 3.79Å; N181-R183 PolarHBondContact O-N 2.9Å; N181-R183 VanDerWaalsContact O-N 3.1Å; N181-R183 WeakPolarHBondContact OD1-CB 3.35Å; N181-R183 PolarHBondContact OD1-N 2.89Å; N181-K184 PolarHBondContact O-N 2.89Å; N181-F185 PolarHBondContact O-N 2.7Å
182	R	97.5	Very high	98.1	Very high	110 Å²	110	40.7 Å²	40.7	42%	0.415	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16	-176.5	-64.6	169.6	60.6	-168.5	-1.5	113.2	K160 Y161 K162 W180 K216	K160-R182 WeakPolarHBondContact O-CB 3.46Å; K160-R182 WeakPolarHBondContact O-CG 3.5Å; K160-R182 PolarHBondContact O-N 2.91Å; Y161-R182 VanDerWaalsContact O-CD 3.31Å; Y161-R182 WeakPolarHBondContact O-CD 3.31Å; K162-R182 HydrophobicContact CB-CG 3.81Å; W180-R182 PolarHBondContact O-N 3.18Å; R182-K216 VanDerWaalsContact O-CD 3.29Å; R182-K216 WeakPolarHBondContact O-CD 3.5Å; R182-K216 PolarHBondContact O-NZ 2.83Å
183	R	96.2	Very high	98.2	Very high	182 Å²	182	38.1 Å²	38.1	69%	0.687	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-34.3	174.9	-63.4	178	172.7	167.8	-3.7	111.4	N181 K216	N181-R183 PolarHBondContact O-N 2.9Å; N181-R183 VanDerWaalsContact O-N 3.1Å; N181-R183 WeakPolarHBondContact OD1-CB 3.35Å; N181-R183 PolarHBondContact OD1-N 2.89Å; R183-K216 WeakPolarHBondContact O-CB 3.26Å
184	K	96.6	Very high	98.3	Very high	57 Å²	57	41.3 Å²	41.3	25%	0.248	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-25.5	-179.1	-63.8	-164.3	-174.9	-179	0	113.9	S89 F90 D137 N181 K216	S89-K184 PolarHBondContact O-NZ 2.83Å; F90-K184 HydrophobicContact CB-CD 4.33Å; D137-K184 HydrophobicContact CB-CD 4.3Å; D137-K184 VanDerWaalsContact CG-NZ 3.27Å; D137-K184 VanDerWaalsContact OD1-CD 3.26Å; D137-K184 WeakPolarHBondContact OD1-CD 3.28Å; D137-K184 WeakPolarHBondContact OD1-CE 3.47Å; D137-K184 IonicContact OD1-NZ 3.23Å; D137-K184 PolarHBondContact OD1-NZ 2.91Å; D137-K184 IonicContact OD2-NZ 2.72Å; D137-K184 PolarHBondContact OD2-NZ 3.37Å; N181-K184 PolarHBondContact O-N 2.89Å; K184-K216 WeakPolarHBondContact O-CB 3.32Å; K184-K216 PolarHBondContact O-N 2.8Å
185	F	98.2	Very high	98.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	154	-173.3	-55.8	-78.8	0	0	0	114.2	F90 D137 I138 W180 N181 L213 R214 L215 K216 V235	F90-F185 HydrophobicContact CB-CE2 4.09Å; F90-F185 HydrophobicContact CB-CZ 3.84Å; F90-F185 HydrophobicContact CD1-CE1 4.5Å; F90-F185 AromaticContact CD1-CZ 3.8Å; F90-F185 HydrophobicContact CD1-CZ 3.8Å; F90-F185 HydrophobicContact CD2-CZ 4.06Å; F90-F185 HydrophobicContact CE1-CZ 4.33Å; F90-F185 HydrophobicContact CG-CE2 4.31Å; F90-F185 AromaticContact CG-CZ 3.64Å; F90-F185 HydrophobicContact CG-CZ 3.64Å; D137-F185 HydrophobicContact CB-CE2 4.22Å; I138-F185 HydrophobicContact CD1-CD2 4.38Å; I138-F185 HydrophobicContact CD1-CE1 4.49Å; I138-F185 HydrophobicContact CD1-CE2 3.83Å; I138-F185 HydrophobicContact CD1-CZ 3.89Å; I138-F185 HydrophobicContact CG1-CD2 4.28Å; I138-F185 HydrophobicContact CG1-CE2 3.98Å; W180-F185 HydrophobicContact CB-CB 4.32Å; W180-F185 HydrophobicContact CB-CD2 4.33Å; W180-F185 HydrophobicContact CG-CB 4.19Å; N181-F185 PolarHBondContact O-N 2.7Å; F185-L213 HydrophobicContact CB-CB 4.24Å; F185-L213 HydrophobicContact CB-CD1 4.32Å; F185-L213 HydrophobicContact CD1-CB 3.95Å; F185-L213 HydrophobicContact CD1-CD1 4.38Å; F185-L213 HydrophobicContact CG-CB 4.35Å; F185-L213 HydrophobicContact CG-CD1 4.22Å; F185-R214 VanDerWaalsContact CA-O 3.3Å; F185-R214 WeakPolarHBondContact CA-O 3.33Å; F185-L215 HydrophobicContact CD1-CD1 4.2Å; F185-L215 HydrophobicContact CD1-CG 4.35Å; F185-L215 HydrophobicContact CE1-CD1 3.81Å; F185-L215 HydrophobicContact CE1-CG 3.87Å; F185-K216 VanDerWaalsContact O-CE 3.24Å; F185-K216 WeakPolarHBondContact O-CE 3.18Å; F185-K216 PolarHBondContact O-NZ 3.2Å; F185-V235 HydrophobicContact CD1-CG1 4.49Å; F185-V235 HydrophobicContact CE1-CG1 4.01Å
186	S	97.8	Very high	98.3	Very high	33 Å²	33	45 Å²	45	23%	0.231	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.2	161.5	38.2	0	0	0	0	110.1	L213 R214	S186-L213 WeakPolarHBondContact O-CA 3.48Å; S186-R214 PolarHBondContact N-O 2.95Å; S186-R214 PolarHBondContact O-N 3.08Å
187	L	98.5	Very high	98.3	Very high	55 Å²	55	45.4 Å²	45.4	29%	0.288	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	135.5	173	-171.2	66.8	0	0	0	110.6	V164 W180 D189 V211 L213	V164-L187 HydrophobicContact CG1-CD2 4.25Å; W180-L187 HydrophobicContact CH2-CB 4.13Å; W180-L187 HydrophobicContact CH2-CD1 3.93Å; W180-L187 HydrophobicContact CH2-CD2 4.05Å; W180-L187 HydrophobicContact CH2-CG 4.28Å; W180-L187 HydrophobicContact CZ2-CB 3.64Å; W180-L187 HydrophobicContact CZ2-CD1 4.24Å; W180-L187 HydrophobicContact CZ2-CD2 4.29Å; W180-L187 HydrophobicContact CZ2-CG 4.29Å; W180-L187 HydrophobicContact CZ3-CD1 4.44Å; L187-D189 VanDerWaalsContact CD1-O 3.22Å; L187-D189 WeakPolarHBondContact CD1-O 3.31Å; L187-V211 HydrophobicContact CD1-CB 3.88Å; L187-V211 HydrophobicContact CD1-CG1 4.01Å; L187-L213 HydrophobicContact CD1-CD2 4.09Å
188	V	98.2	Very high	98.2	Very high	74 Å²	74	49.1 Å²	49.1	45%	0.448	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-49.4	169.5	179.6	0	0	0	0	109.5	K212 R214 Y234	V188-K212 HydrophobicContact CB-CB 4.17Å; V188-K212 HydrophobicContact CB-CD 4.46Å; V188-K212 HydrophobicContact CB-CG 3.94Å; V188-K212 WeakPolarHBondContact CB-O 3.44Å; V188-K212 HydrophobicContact CG1-CD 4.3Å; V188-K212 HydrophobicContact CG1-CG 4.32Å; V188-K212 HydrophobicContact CG2-CG 4.32Å; V188-K212 PolarHBondContact N-O 2.75Å; V188-R214 HydrophobicContact CG2-CB 3.76Å; V188-Y234 HydrophobicContact CG2-CD1 3.78Å; V188-Y234 HydrophobicContact CG2-CE1 3.55Å
189	D	98.3	Very high	98.1	Very high	82 Å²	82	57.4 Å²	57.4	44%	0.439	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	159.4	-176.8	-168.2	19.4	0	0	0	110.4	L187 K212	L187-D189 VanDerWaalsContact CD1-O 3.22Å; L187-D189 WeakPolarHBondContact CD1-O 3.31Å; D189-K212 HydrophobicContact CB-CB 4.28Å; D189-K212 PolarHBondContact O-N 2.9Å
190	S	98.6	Very high	98	Very high	49 Å²	49	59.3 Å²	59.3	34%	0.343	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	137.9	175	60.5	0	0	0	0	111.1	L210	S190-L210 CarbonylContact C-O 3.56Å; S190-L210 WeakPolarHBondContact CA-O 3.13Å
191	V	98.6	Very high	97.9	Very high	42 Å²	42	62.5 Å²	62.5	26%	0.255	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	123.4	178.9	171.2	0	0	0	0	109.5	V193 L210 M266	V191-V193 HydrophobicContact CG1-CG2 4.18Å; V191-L210 HydrophobicContact CB-CB 4.43Å; V191-L210 PolarHBondContact N-O 2.83Å; V191-L210 PolarHBondContact O-N 2.8Å; V191-M266 HydrophobicContact CB-CE 3.72Å; V191-M266 HydrophobicContact CG2-CE 3.35Å
192	A	98.7	Very high	97.9	Very high	48 Å²	48	61.5 Å²	61.5	40%	0.397	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	128.9	165.7	0	0	0	0	0	109.1	K166	K166-A192 HydrophobicContact CB-CB 4.23Å; K166-A192 HydrophobicContact CD-CB 3.78Å; K166-A192 HydrophobicContact CG-CB 3.73Å
193	V	98.7	Very high	97.8	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.012	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.8	175.6	-173.4	0	0	0	0	107.8	V191 Y195 I207 G208 L210 Q258 H262	V191-V193 HydrophobicContact CG1-CG2 4.18Å; V193-Y195 HydrophobicContact CB-CD1 4.49Å; V193-Y195 HydrophobicContact CB-CE1 4.02Å; V193-Y195 HydrophobicContact CG1-CD1 3.66Å; V193-Y195 HydrophobicContact CG1-CE1 3.48Å; V193-Y195 VanDerWaalsContact CG1-CE1 3.48Å; V193-I207 CarbonylContact O-C 3.46Å; V193-I207 WeakPolarHBondContact O-CA 3.28Å; V193-I207 WeakPolarHBondContact O-CB 3.41Å; V193-G208 PolarHBondContact N-O 2.74Å; V193-G208 PolarHBondContact O-N 2.87Å; V193-L210 HydrophobicContact CG2-CD1 3.78Å; V193-Q258 HydrophobicContact CG1-CB 4.34Å; V193-H262 HydrophobicContact CG2-CB 3.79Å; V193-H262 VanDerWaalsContact CG2-CG 3.48Å
194	E	98.6	Very high	97.9	Very high	98 Å²	98	54.1 Å²	54.1	46%	0.458	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.1	172.4	-60.8	-179.2	163.7	0	0	107.7	K166 T169 I207	K166-E194 WeakPolarHBondContact CE-OE1 3.32Å; K166-E194 IonicContact NZ-OE1 3.2Å; K166-E194 PolarHBondContact NZ-OE1 2.8Å; T169-E194 HydrophobicContact CG2-CB 4.15Å; T169-E194 HydrophobicContact CG2-CG 3.69Å; T169-E194 VanDerWaalsContact CG2-OE1 3.28Å; T169-E194 WeakPolarHBondContact CG2-OE1 3.29Å; E194-I207 HydrophobicContact CG-CG2 4.36Å
195	Y	98.7	Very high	98	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.288	C	S	.	.			trans	-88	-12.4	-172.9	-56.7	-48	0	0	0	114.5	V193 I197 V202 N206 I207 G208 T240 L242 Q255 Q258 L259	V193-Y195 HydrophobicContact CB-CD1 4.49Å; V193-Y195 HydrophobicContact CB-CE1 4.02Å; V193-Y195 HydrophobicContact CG1-CD1 3.66Å; V193-Y195 HydrophobicContact CG1-CE1 3.48Å; V193-Y195 VanDerWaalsContact CG1-CE1 3.48Å; Y195-I197 PolarHBondContact O-N 3.25Å; Y195-V202 WeakPolarHBondContact O-CG1 3.39Å; Y195-N206 WeakPolarHBondContact CB-O 3.31Å; Y195-N206 HydrophobicContact CD2-CB 3.71Å; Y195-N206 VanDerWaalsContact CD2-O 3.23Å; Y195-N206 WeakPolarHBondContact CD2-O 3.22Å; Y195-N206 HydrophobicContact CE2-CB 4.34Å; Y195-N206 PolarHBondContact N-O 3.25Å; Y195-N206 VanDerWaalsContact N-O 3.08Å; Y195-I207 WeakPolarHBondContact CE2-O 3.34Å; Y195-G208 VanDerWaalsContact OH-CA 3.32Å; Y195-G208 WeakPolarHBondContact OH-CA 3.47Å; Y195-G208 PolarHBondContact OH-N 3.44Å; Y195-T240 PolarHBondContact OH-OG1 3.08Å; Y195-L242 HydrophobicContact CE2-CD2 3.98Å; Y195-Q255 HydrophobicContact CD1-CB 4.24Å; Y195-Q255 HydrophobicContact CD2-CB 3.78Å; Y195-Q255 HydrophobicContact CD2-CG 3.74Å; Y195-Q255 VanDerWaalsContact CE1-O 3.25Å; Y195-Q255 WeakPolarHBondContact CE1-O 3.25Å; Y195-Q255 HydrophobicContact CE2-CB 4.13Å; Y195-Q255 HydrophobicContact CG-CB 3.86Å; Y195-Q255 HydrophobicContact CG-CG 3.77Å; Y195-Q258 HydrophobicContact CD1-CB 3.87Å; Y195-Q258 HydrophobicContact CE1-CB 4.16Å; Y195-Q258 PolarHBondContact O-NE2 3.04Å; Y195-L259 HydrophobicContact CE1-CB 4.17Å
196	F	98.4	Very high	98	Very high	89 Å²	89	53 Å²	53	39%	0.39	29%	0.289	S	S	.	.			trans	-61.7	124.8	175.8	175.1	-101	0	0	0	109.8	P198 D203 R204	F196-P198 HydrophobicContact CD1-CG 4.17Å; F196-P198 HydrophobicContact CE1-CB 4.13Å; F196-P198 HydrophobicContact CE1-CG 3.77Å; F196-D203 HydrophobicContact CE2-CB 4.42Å; F196-R204 PolarHBondContact N-O 2.75Å
197	I	98	Very high	98.1	Very high	10 Å²	10	51.5 Å²	51.5	5%	0.051	28%	0.278	C	S	.	.			trans	-114.6	108	177.4	-55.4	161.8	0	0	0	107.9	Y195 T200 V202 V254 P331 V334	Y195-I197 PolarHBondContact O-N 3.25Å; I197-T200 HydrophobicContact CB-CG2 4.2Å; I197-T200 WeakPolarHBondContact CB-OG1 3.2Å; I197-T200 HydrophobicContact CG2-CG2 3.53Å; I197-T200 PolarHBondContact O-N 2.9Å; I197-T200 PolarHBondContact O-OG1 3.22Å; I197-V202 HydrophobicContact CB-CB 4.31Å; I197-V202 HydrophobicContact CD1-CB 3.85Å; I197-V202 HydrophobicContact CD1-CG1 3.93Å; I197-V202 HydrophobicContact CD1-CG2 4.09Å; I197-V202 HydrophobicContact CG1-CB 4.31Å; I197-V202 HydrophobicContact CG1-CG1 4.32Å; I197-V202 PolarHBondContact N-O 2.76Å; I197-V254 HydrophobicContact CD1-CG1 3.98Å; I197-P331 HydrophobicContact CD1-CG 3.97Å; I197-P331 HydrophobicContact CG2-CB 4.4Å; I197-V334 HydrophobicContact CD1-CG2 3.27Å; I197-V334 HydrophobicContact CG1-CG2 3.77Å; I197-V334 HydrophobicContact CG2-CG2 3.97Å
198	P	97	Very high	98.1	Very high	78 Å²	78	48.9 Å²	48.9	51%	0.506	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	140.7	-177.1	-24.5	30.6	0	0	0	113	F196 T200	F196-P198 HydrophobicContact CD1-CG 4.17Å; F196-P198 HydrophobicContact CE1-CB 4.13Å; F196-P198 HydrophobicContact CE1-CG 3.77Å; P198-T200 VanDerWaalsContact C-N 3.25Å; P198-T200 PolarHBondContact O-N 2.85Å
199	N	96.4	Very high	98.1	Very high	173 Å²	173	45.6 Å²	45.6	93%	0.925	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	29.9	177.3	-48.6	-54.6	0	0	0	114.4
200	T	97.5	Very high	98.2	Very high	41 Å²	41	41.7 Å²	41.7	25%	0.252	22%	0.223	S	C	.	.	S	Bend	trans	-130.9	177.4	174.7	77.3	0	0	0	0	111	I197 P198 V202 P331	I197-T200 HydrophobicContact CB-CG2 4.2Å; I197-T200 WeakPolarHBondContact CB-OG1 3.2Å; I197-T200 HydrophobicContact CG2-CG2 3.53Å; I197-T200 PolarHBondContact O-N 2.9Å; I197-T200 PolarHBondContact O-OG1 3.22Å; P198-T200 VanDerWaalsContact C-N 3.25Å; P198-T200 PolarHBondContact O-N 2.85Å; T200-V202 PolarHBondContact O-N 3.46Å; T200-V202 PolarHBondContact OG1-N 3.47Å; T200-V202 VanDerWaalsContact OG1-N 3.16Å; T200-P331 HydrophobicContact CG2-CB 3.81Å; T200-P331 HydrophobicContact CG2-CG 3.98Å
201	Y	97	Very high	98.2	Very high	68 Å²	68	39.4 Å²	39.4	27%	0.267	21%	0.207	S	C	.	.	S	Bend	trans	-75.1	-8.9	175.1	75.7	-90.4	0	0	0	113.7	D203 R248 D250 I251 V254 I329 P331	Y201-D203 VanDerWaalsContact C-N 3.33Å; Y201-D203 PolarHBondContact O-N 3.44Å; Y201-R248 PolarHBondContact O-NH2 3.19Å; Y201-D250 HydrophobicContact CE2-CB 3.97Å; Y201-I251 HydrophobicContact CD2-CG1 4.23Å; Y201-I251 HydrophobicContact CE2-CG1 4.4Å; Y201-I251 WeakPolarHBondContact O-CD1 3.47Å; Y201-V254 VanDerWaalsContact OH-CG2 3.24Å; Y201-V254 WeakPolarHBondContact OH-CG2 3.31Å; Y201-I329 WeakPolarHBondContact OH-CG1 3.46Å; Y201-I329 PolarHBondContact OH-O 3.36Å; Y201-P331 HydrophobicContact CE1-CG 4.21Å
202	V	97.8	Very high	98.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.			trans	-90.8	74	178.2	-171.7	0	0	0	0	108.4	Y195 I197 T200 I251 V254 P331	Y195-V202 WeakPolarHBondContact O-CG1 3.39Å; I197-V202 HydrophobicContact CB-CB 4.31Å; I197-V202 HydrophobicContact CD1-CB 3.85Å; I197-V202 HydrophobicContact CD1-CG1 3.93Å; I197-V202 HydrophobicContact CD1-CG2 4.09Å; I197-V202 HydrophobicContact CG1-CB 4.31Å; I197-V202 HydrophobicContact CG1-CG1 4.32Å; I197-V202 PolarHBondContact N-O 2.76Å; T200-V202 PolarHBondContact O-N 3.46Å; T200-V202 PolarHBondContact OG1-N 3.47Å; T200-V202 VanDerWaalsContact OG1-N 3.16Å; V202-I251 HydrophobicContact CG1-CG2 4.22Å; V202-V254 HydrophobicContact CG1-CG1 4.34Å; V202-V254 HydrophobicContact CG2-CB 4.09Å; V202-V254 HydrophobicContact CG2-CG1 3.98Å; V202-V254 HydrophobicContact CG2-CG2 4.28Å; V202-P331 HydrophobicContact CG2-CG 4.17Å
203	D	97.1	Very high	98.1	Very high	60 Å²	60	36.2 Å²	36.2	32%	0.321	18%	0.181	S	C	.	.			trans	-108.4	35.7	-162.9	68.9	-25	0	0	0	112.6	F196 Y201 I251	F196-D203 HydrophobicContact CE2-CB 4.42Å; Y201-D203 VanDerWaalsContact C-N 3.33Å; Y201-D203 PolarHBondContact O-N 3.44Å; D203-I251 WeakPolarHBondContact OD1-CD1 3.12Å
204	R	98.2	Very high	98.1	Very high	77 Å²	77	40.6 Å²	40.6	29%	0.291	20%	0.197	S	C	.	.			trans	-125.9	131.2	-173.7	-63	-68.7	179.5	-99.4	-2.3	112.2	F196 N206 L243 I251	F196-R204 PolarHBondContact N-O 2.75Å; R204-N206 PolarHBondContact O-N 2.77Å; R204-L243 HydrophobicContact CB-CD1 4.33Å; R204-L243 HydrophobicContact CG-CD1 3.85Å; R204-L243 HydrophobicContact CG-CD2 4.03Å; R204-L243 HydrophobicContact CG-CG 4.48Å; R204-I251 HydrophobicContact CB-CG2 4.39Å; R204-I251 HydrophobicContact CG-CD1 3.86Å; R204-I251 HydrophobicContact CG-CG2 4.31Å
205	D	98	Very high	97.9	Very high	33 Å²	33	36.4 Å²	36.4	18%	0.176	18%	0.178	C	C	.	.			trans	-75.4	21.9	-176.7	-62.1	-70.6	0	0	0	115.3	R168 T169 G170 K172	R168-D205 VanDerWaalsContact CB-O 3.26Å; R168-D205 WeakPolarHBondContact CB-O 3.5Å; R168-D205 WeakPolarHBondContact CG-O 3.21Å; R168-D205 PolarHBondContact NE-O 2.82Å; T169-D205 WeakPolarHBondContact CB-OD1 3.39Å; T169-D205 PolarHBondContact N-O 3.08Å; T169-D205 VanDerWaalsContact O-CB 3.29Å; T169-D205 WeakPolarHBondContact O-CB 3.12Å; T169-D205 VanDerWaalsContact OG1-CA 3.26Å; T169-D205 WeakPolarHBondContact OG1-CA 3.39Å; T169-D205 WeakPolarHBondContact OG1-CB 3.33Å; T169-D205 PolarHBondContact OG1-OD1 2.83Å; G170-D205 PolarHBondContact N-OD1 3.4Å; K172-D205 HydrophobicContact CG-CB 4.1Å
206	N	98.7	Very high	97.5	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.011	19%	0.192	C	C	.	.			trans	-67.5	155.8	174.1	-67.7	83.5	0	0	0	109.8	Y195 R204 H241 L242 L243 Q255	Y195-N206 WeakPolarHBondContact CB-O 3.31Å; Y195-N206 HydrophobicContact CD2-CB 3.71Å; Y195-N206 VanDerWaalsContact CD2-O 3.23Å; Y195-N206 WeakPolarHBondContact CD2-O 3.22Å; Y195-N206 HydrophobicContact CE2-CB 4.34Å; Y195-N206 PolarHBondContact N-O 3.25Å; Y195-N206 VanDerWaalsContact N-O 3.08Å; R204-N206 PolarHBondContact O-N 2.77Å; N206-H241 WeakPolarHBondContact CB-O 3.26Å; N206-H241 PolarHBondContact ND2-O 3.02Å; N206-L242 PolarHBondContact ND2-O 3.49Å; N206-L243 PolarHBondContact ND2-N 3.03Å; N206-Q255 PolarHBondContact OD1-NE2 2.71Å
207	I	98.8	Very high	96.3	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	158	-175.8	61.9	88	0	0	0	111.6	K166 R168 C176 V193 E194 Y195 T240	K166-I207 HydrophobicContact CB-CD1 4.09Å; K166-I207 HydrophobicContact CG-CB 4.34Å; K166-I207 HydrophobicContact CG-CD1 3.91Å; K166-I207 HydrophobicContact CG-CG1 4.13Å; K166-I207 HydrophobicContact CG-CG2 4.49Å; R168-I207 HydrophobicContact CG-CG1 3.87Å; R168-I207 HydrophobicContact CG-CG2 4.42Å; C176-I207 HydrophobicContact CB-CD1 3.56Å; V193-I207 CarbonylContact O-C 3.46Å; V193-I207 WeakPolarHBondContact O-CA 3.28Å; V193-I207 WeakPolarHBondContact O-CB 3.41Å; E194-I207 HydrophobicContact CG-CG2 4.36Å; Y195-I207 WeakPolarHBondContact CE2-O 3.34Å; I207-T240 PolarHBondContact O-OG1 2.71Å
208	G	98.8	Very high	94.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	156.4	162.3	0	0	0	0	0	110.9	V193 Y195 N239	V193-G208 PolarHBondContact N-O 2.74Å; V193-G208 PolarHBondContact O-N 2.87Å; Y195-G208 VanDerWaalsContact OH-CA 3.32Å; Y195-G208 WeakPolarHBondContact OH-CA 3.47Å; Y195-G208 PolarHBondContact OH-N 3.44Å; G208-N239 CarbonylContact C-O 3.59Å; G208-N239 WeakPolarHBondContact CA-O 3.24Å
209	L	98.9	Very high	92.9	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	115	178.8	-177.8	57.2	0	0	0	109.8	V164 K166 C176 V178 N239	V164-L209 HydrophobicContact CG2-CD1 4.15Å; V164-L209 HydrophobicContact CG2-CD2 3.96Å; V164-L209 HydrophobicContact CG2-CG 4.19Å; K166-L209 HydrophobicContact CB-CD1 4.22Å; K166-L209 HydrophobicContact CB-CD2 4.28Å; C176-L209 HydrophobicContact CB-CB 4.37Å; C176-L209 WeakPolarHBondContact O-CD2 3.34Å; V178-L209 HydrophobicContact CG2-CD2 4.18Å; V178-L209 HydrophobicContact CG2-CG 4.23Å; L209-N239 PolarHBondContact N-O 2.84Å; L209-N239 PolarHBondContact O-N 3.35Å
210	L	98.8	Very high	90.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	140.9	179.2	-68	67.5	0	0	0	109.5	S190 V191 V193 V237 A238 L259 H262 L263 M266	S190-L210 CarbonylContact C-O 3.56Å; S190-L210 WeakPolarHBondContact CA-O 3.13Å; V191-L210 HydrophobicContact CB-CB 4.43Å; V191-L210 PolarHBondContact N-O 2.83Å; V191-L210 PolarHBondContact O-N 2.8Å; V193-L210 HydrophobicContact CG2-CD1 3.78Å; L210-V237 CarbonylContact C-O 3.59Å; L210-V237 WeakPolarHBondContact CA-O 2.94Å; L210-A238 HydrophobicContact CD1-CB 4.5Å; L210-A238 HydrophobicContact CG-CB 4.03Å; L210-L259 HydrophobicContact CD1-CD1 3.58Å; L210-H262 HydrophobicContact CD2-CB 3.92Å; L210-L263 HydrophobicContact CD2-CB 4.21Å; L210-L263 HydrophobicContact CD2-CD1 4.02Å; L210-L263 HydrophobicContact CG-CD1 4.48Å; L210-M266 HydrophobicContact CB-CE 4Å; L210-M266 HydrophobicContact CB-SD 3.85Å; L210-M266 HydrophobicContact CD2-SD 4.34Å
211	V	98.9	Very high	88.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.1	168.5	-63.8	0	0	0	0	110.3	V164 V178 W180 L187 L213 I236 V237	V164-V211 HydrophobicContact CG2-CG1 3.33Å; V178-V211 HydrophobicContact CB-CG1 4.32Å; V178-V211 HydrophobicContact CB-CG2 4.35Å; V178-V211 HydrophobicContact CG1-CG2 3.7Å; W180-V211 HydrophobicContact CZ3-CG1 4.21Å; L187-V211 HydrophobicContact CD1-CB 3.88Å; L187-V211 HydrophobicContact CD1-CG1 4.01Å; V211-L213 HydrophobicContact CB-CD2 4.23Å; V211-L213 HydrophobicContact CB-CG 4.43Å; V211-L213 HydrophobicContact CG2-CD1 4.16Å; V211-L213 HydrophobicContact CG2-CD2 4.06Å; V211-L213 HydrophobicContact CG2-CG 3.9Å; V211-I236 WeakPolarHBondContact O-CA 3.28Å; V211-V237 HydrophobicContact CG2-CB 3.79Å; V211-V237 HydrophobicContact CG2-CG2 4.48Å; V211-V237 PolarHBondContact N-O 2.96Å; V211-V237 PolarHBondContact O-N 3.32Å
212	K	98.4	Very high	86.1	Confident	24 Å²	24	53.1 Å²	53.1	10%	0.104	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	113.7	167.3	-176.4	160.5	-166.2	154.1	0	108.5	V188 D189 Y234 I236 M266 D279	V188-K212 HydrophobicContact CB-CB 4.17Å; V188-K212 HydrophobicContact CB-CD 4.46Å; V188-K212 HydrophobicContact CB-CG 3.94Å; V188-K212 WeakPolarHBondContact CB-O 3.44Å; V188-K212 HydrophobicContact CG1-CD 4.3Å; V188-K212 HydrophobicContact CG1-CG 4.32Å; V188-K212 HydrophobicContact CG2-CG 4.32Å; V188-K212 PolarHBondContact N-O 2.75Å; D189-K212 HydrophobicContact CB-CB 4.28Å; D189-K212 PolarHBondContact O-N 2.9Å; K212-Y234 HydrophobicContact CG-CD1 4.43Å; K212-I236 HydrophobicContact CB-CD1 3.76Å; K212-I236 HydrophobicContact CD-CD1 3.67Å; K212-I236 HydrophobicContact CG-CD1 3.45Å; K212-I236 VanDerWaalsContact CG-CD1 3.45Å; K212-M266 HydrophobicContact CB-CG 4.3Å; K212-M266 HydrophobicContact CB-SD 3.98Å; K212-M266 HydrophobicContact CD-CG 4.42Å; K212-M266 PolarHBondContact NZ-O 3.42Å; K212-D279 WeakPolarHBondContact CE-OD2 3.27Å; K212-D279 IonicContact NZ-OD2 3.95Å; K212-D279 PolarHBondContact NZ-OD2 3.27Å
213	L	98.5	Very high	83.6	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.6	-177.7	-60.3	-179	0	0	0	110.4	I138 W180 F185 S186 L187 V211 Y234 V235 V237	I138-L213 HydrophobicContact CD1-CD1 4.01Å; I138-L213 HydrophobicContact CG1-CD1 4.23Å; W180-L213 HydrophobicContact CB-CD1 3.87Å; W180-L213 HydrophobicContact CD2-CD1 4.46Å; W180-L213 HydrophobicContact CD2-CD2 3.65Å; W180-L213 HydrophobicContact CE3-CD2 3.95Å; W180-L213 HydrophobicContact CG-CD1 4.12Å; W180-L213 HydrophobicContact CG-CD2 3.91Å; W180-L213 HydrophobicContact CZ3-CD2 4.49Å; F185-L213 HydrophobicContact CB-CB 4.24Å; F185-L213 HydrophobicContact CB-CD1 4.32Å; F185-L213 HydrophobicContact CD1-CB 3.95Å; F185-L213 HydrophobicContact CD1-CD1 4.38Å; F185-L213 HydrophobicContact CG-CB 4.35Å; F185-L213 HydrophobicContact CG-CD1 4.22Å; S186-L213 WeakPolarHBondContact O-CA 3.48Å; L187-L213 HydrophobicContact CD1-CD2 4.09Å; V211-L213 HydrophobicContact CB-CD2 4.23Å; V211-L213 HydrophobicContact CB-CG 4.43Å; V211-L213 HydrophobicContact CG2-CD1 4.16Å; V211-L213 HydrophobicContact CG2-CD2 4.06Å; V211-L213 HydrophobicContact CG2-CG 3.9Å; L213-Y234 CarbonylContact O-C 3.59Å; L213-Y234 WeakPolarHBondContact O-CA 3.17Å; L213-V235 HydrophobicContact CB-CG1 4.06Å; L213-V235 PolarHBondContact N-O 3.48Å; L213-V235 PolarHBondContact O-N 2.93Å; L213-V237 HydrophobicContact CD1-CG2 4.09Å
214	R	96.7	Very high	81.3	Confident	93 Å²	93	60.3 Å²	60.3	35%	0.351	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	127.8	168.4	-177.9	177.6	176.6	-178.1	2.8	109.5	F185 S186 V188 K216 D232 H233 Y234	F185-R214 VanDerWaalsContact CA-O 3.3Å; F185-R214 WeakPolarHBondContact CA-O 3.33Å; S186-R214 PolarHBondContact N-O 2.95Å; S186-R214 PolarHBondContact O-N 3.08Å; V188-R214 HydrophobicContact CG2-CB 3.76Å; R214-K216 PolarHBondContact O-N 3.32Å; R214-D232 IonicContact CZ-OD1 2.98Å; R214-D232 IonicContact CZ-OD2 3.07Å; R214-D232 IonicContact NE-OD1 2.84Å; R214-D232 PolarHBondContact NE-OD1 3.22Å; R214-D232 IonicContact NE-OD2 3.31Å; R214-D232 PolarHBondContact NE-OD2 3.46Å; R214-D232 IonicContact NH1-OD2 2.8Å; R214-D232 IonicContact NH2-OD1 2.6Å; R214-D232 PolarHBondContact NH2-OD1 2.94Å; R214-D232 IonicContact NH2-OD2 3.08Å; R214-D232 PolarHBondContact NH2-OD2 2.75Å; R214-D232 VanDerWaalsContact NH2-OD2 3.08Å; R214-H233 WeakPolarHBondContact CA-O 3.3Å; R214-Y234 HydrophobicContact CB-CD1 3.82Å; R214-Y234 HydrophobicContact CB-CE1 3.74Å; R214-Y234 HydrophobicContact CG-CD1 4.26Å; R214-Y234 HydrophobicContact CG-CE1 3.9Å
215	L	95.3	Very high	79	Confident	10 Å²	10	68.2 Å²	68.2	5%	0.052	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	126.7	172.9	-79.4	63.3	0	0	0	109.3	C88 F185 H233 V235 Y457	C88-L215 HydrophobicContact CB-CD2 3.76Å; F185-L215 HydrophobicContact CD1-CD1 4.2Å; F185-L215 HydrophobicContact CD1-CG 4.35Å; F185-L215 HydrophobicContact CE1-CD1 3.81Å; F185-L215 HydrophobicContact CE1-CG 3.87Å; L215-H233 HydrophobicContact CB-CB 4.2Å; L215-H233 HydrophobicContact CD2-CB 4.16Å; L215-H233 PolarHBondContact N-O 3.22Å; L215-V235 HydrophobicContact CD1-CB 4.29Å; L215-V235 HydrophobicContact CD1-CG1 3.96Å; L215-Y457 HydrophobicContact CD2-CD1 4.03Å; L215-Y457 HydrophobicContact CD2-CD2 3.76Å; L215-Y457 HydrophobicContact CD2-CE1 4.48Å; L215-Y457 HydrophobicContact CD2-CE2 4.22Å; L215-Y457 HydrophobicContact CD2-CG 3.65Å
216	K	91.1	Very high	76.6	Confident	68 Å²	68	71.7 Å²	71.7	30%	0.296	32%	0.321	S	S	.	.	S	Bend	trans	-92	139.7	174.2	-70.3	180	171.7	166.3	0	109.7	R182 R183 K184 F185 R214 A218	R182-K216 VanDerWaalsContact O-CD 3.29Å; R182-K216 WeakPolarHBondContact O-CD 3.5Å; R182-K216 PolarHBondContact O-NZ 2.83Å; R183-K216 WeakPolarHBondContact O-CB 3.26Å; K184-K216 WeakPolarHBondContact O-CB 3.32Å; K184-K216 PolarHBondContact O-N 2.8Å; F185-K216 VanDerWaalsContact O-CE 3.24Å; F185-K216 WeakPolarHBondContact O-CE 3.18Å; F185-K216 PolarHBondContact O-NZ 3.2Å; R214-K216 PolarHBondContact O-N 3.32Å; K216-A218 PolarHBondContact O-N 3.2Å; K216-A218 VanDerWaalsContact O-N 3.14Å
217	H	72.1	Confident	74.2	Confident	172 Å²	172	84 Å²	84	80%	0.796	37%	0.367	S	S	*	.	S	Bend	trans	52.3	35.7	175.4	-48.8	-73.7	0	0	0	113.6	R219	H217-R219 PolarHBondContact O-N 3.12Å
218	A	63.5	Low	71.8	Confident	24 Å²	24	87.8 Å²	87.8	20%	0.198	41%	0.406	C	S	.	.			trans	-45.6	131.5	159	0	0	0	0	0	106.8	L87 K216 K220	L87-A218 HydrophobicContact CB-CB 4.17Å; L87-A218 WeakPolarHBondContact O-CA 3.17Å; K216-A218 PolarHBondContact O-N 3.2Å; K216-A218 VanDerWaalsContact O-N 3.14Å; A218-K220 PolarHBondContact O-N 3.35Å
219	R	59.9	Low	69.6	Low	152 Å²	152	96.7 Å²	96.7	57%	0.574	44%	0.44	S	S	*	.			trans	-41.5	132.8	173.9	-76.4	-175.9	170.6	131.4	-9.3	106.9	A86 L87 H217 S221	A86-R219 PolarHBondContact O-NH1 2.66Å; L87-R219 HydrophobicContact CD2-CB 4.41Å; L87-R219 PolarHBondContact O-N 3.49Å; L87-R219 VanDerWaalsContact O-N 3.14Å; H217-R219 PolarHBondContact O-N 3.12Å; R219-S221 VanDerWaalsContact C-N 3.32Å; R219-S221 PolarHBondContact O-N 3.43Å
220	K	52.5	Low	67.8	Low	197 Å²	197	105.8 Å²	105.8	86%	0.857	48%	0.479	S	S	*	.			trans	-51.6	104.6	179.8	-72.4	-178.2	-178.1	174.7	0	106.3	A218 F222	A218-K220 PolarHBondContact O-N 3.35Å; K220-F222 VanDerWaalsContact C-N 3.32Å; K220-F222 PolarHBondContact O-N 2.79Å
221	S	51.4	Low	66.5	Low	36 Å²	36	107.6 Å²	107.6	25%	0.252	49%	0.488	S	S	.	.			trans	-63.6	106.8	166.6	39	0	0	0	0	103.7	R219 C223 Q459	R219-S221 VanDerWaalsContact C-N 3.32Å; R219-S221 PolarHBondContact O-N 3.43Å; S221-C223 PolarHBondContact O-N 2.87Å; S221-Q459 PolarHBondContact OG-OE1 2.98Å
222	F	44.3	Very low	66	Low	161 Å²	161	109.6 Å²	109.6	71%	0.706	50%	0.499	S	S	*	.			trans	-75.7	82.7	173.3	-146.2	-84.8	0	0	0	104.1	K220 L224	K220-F222 VanDerWaalsContact C-N 3.32Å; K220-F222 PolarHBondContact O-N 2.79Å; F222-L224 HydrophobicContact CD1-CD1 4.3Å; F222-L224 PolarHBondContact O-N 2.71Å
223	C	46.7	Very low	65.6	Low	55 Å²	55	108.7 Å²	108.7	37%	0.372	49%	0.494	S	S	.	.			trans	-61.5	95.7	167.4	-70.5	0	0	0	0	106.2	S221 W225 R226	S221-C223 PolarHBondContact O-N 2.87Å; C223-W225 PolarHBondContact O-N 3.32Å; C223-R226 PolarHBondContact O-N 3.24Å
224	L	48	Very low	65.4	Low	156 Å²	156	110.3 Å²	110.3	82%	0.817	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-28.4	177	-104.4	89.8	0	0	0	110.9	F222	F222-L224 HydrophobicContact CD1-CD1 4.3Å; F222-L224 PolarHBondContact O-N 2.71Å
225	W	48.9	Very low	65.4	Low	244 Å²	244	105.9 Å²	105.9	92%	0.924	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-13.8	-176.3	-138.1	81.1	0	0	0	115.7	C223	C223-W225 PolarHBondContact O-N 3.32Å
226	R	49.4	Very low	65.5	Low	105 Å²	105	105.4 Å²	105.4	40%	0.396	48%	0.482	S	S	.	.			trans	-138.4	98.9	-178.9	-120.9	175.2	76.6	158.4	-13.9	112.4	C223 G228 E272	C223-R226 PolarHBondContact O-N 3.24Å; R226-G228 PolarHBondContact O-N 3.12Å; R226-E272 IonicContact CZ-OE1 3.94Å; R226-E272 IonicContact CZ-OE2 3.17Å; R226-E272 IonicContact NH1-OE2 2.64Å; R226-E272 PolarHBondContact NH1-OE2 3.22Å; R226-E272 IonicContact NH2-OE1 2.98Å; R226-E272 PolarHBondContact NH2-OE1 3.02Å; R226-E272 IonicContact NH2-OE2 2.95Å; R226-E272 PolarHBondContact NH2-OE2 2.7Å
227	R	48.2	Very low	65.9	Low	261 Å²	261	102.1 Å²	102.1	99%	0.985	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	103.9	162.5	-83.1	174.9	109.4	116.7	-5.1	109.5
228	G	47.1	Very low	67.1	Low	80 Å²	80	94 Å²	94	83%	0.825	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.6	0.8	144	0	0	0	0	0	120.5	R226	R226-G228 PolarHBondContact O-N 3.12Å
229	R	53.2	Low	68.8	Low	188 Å²	188	92.8 Å²	92.8	71%	0.709	42%	0.42	S	S	*	.			trans	-107.3	115.4	173.5	-87	-174.8	156.4	157.3	-4.6	112.1	Q231	R229-Q231 PolarHBondContact O-N 3.38Å
230	K	60.3	Low	70.7	Confident	195 Å²	195	85.6 Å²	85.6	85%	0.848	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-60.4	118.2	170.5	-74.6	-179.4	178.4	174.4	0	109
231	Q	73.3	Confident	72.9	Confident	38 Å²	38	76.7 Å²	76.7	18%	0.178	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-79	136.1	168.8	-176.5	168.8	6.5	0	0	109.5	R229	R229-Q231 PolarHBondContact O-N 3.38Å
232	D	86.5	Confident	75.1	Confident	43 Å²	43	75 Å²	75	23%	0.23	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-90.7	129.1	174.5	-72.3	-25.9	0	0	0	111.6	R214 Y234 R269	R214-D232 IonicContact CZ-OD1 2.98Å; R214-D232 IonicContact CZ-OD2 3.07Å; R214-D232 IonicContact NE-OD1 2.84Å; R214-D232 PolarHBondContact NE-OD1 3.22Å; R214-D232 IonicContact NE-OD2 3.31Å; R214-D232 PolarHBondContact NE-OD2 3.46Å; R214-D232 IonicContact NH1-OD2 2.8Å; R214-D232 IonicContact NH2-OD1 2.6Å; R214-D232 PolarHBondContact NH2-OD1 2.94Å; R214-D232 IonicContact NH2-OD2 3.08Å; R214-D232 PolarHBondContact NH2-OD2 2.75Å; R214-D232 VanDerWaalsContact NH2-OD2 3.08Å; D232-Y234 HydrophobicContact CB-CE1 4.13Å; D232-Y234 HydrophobicContact CB-CE2 3.75Å; D232-Y234 VanDerWaalsContact CB-CZ 3.43Å; D232-Y234 WeakPolarHBondContact CB-OH 3.27Å; D232-Y234 PolarHBondContact OD2-OH 2.89Å; D232-R269 PolarHBondContact O-NH2 3.18Å
233	H	90.6	Very high	77.7	Confident	4 Å²	4	68 Å²	68	2%	0.019	31%	0.312	C	S	.	.			trans	-104.3	133.8	176.2	-62.6	-78.5	0	0	0	109.2	R214 L215 Y457 Q459	R214-H233 WeakPolarHBondContact CA-O 3.3Å; L215-H233 HydrophobicContact CB-CB 4.2Å; L215-H233 HydrophobicContact CD2-CB 4.16Å; L215-H233 PolarHBondContact N-O 3.22Å; H233-Y457 HydrophobicContact CB-CE1 3.95Å; H233-Y457 AromaticContact CG-CE1 3.9Å; H233-Y457 AromaticContact ND1-CE1 3.46Å; H233-Y457 WeakPolarHBondContact ND1-CE1 3.43Å; H233-Y457 AromaticContact ND1-CZ 3.9Å; H233-Q459 PolarHBondContact CE1-OE1 2.84Å; H233-Q459 PolarHBondContact NE2-OE1 3.04Å
234	Y	94	Very high	80.1	Confident	34 Å²	34	71.3 Å²	71.3	13%	0.133	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	154	-178.1	-52.6	-75.3	0	0	0	110.8	V188 K212 L213 R214 D232 Y457	V188-Y234 HydrophobicContact CG2-CD1 3.78Å; V188-Y234 HydrophobicContact CG2-CE1 3.55Å; K212-Y234 HydrophobicContact CG-CD1 4.43Å; L213-Y234 CarbonylContact O-C 3.59Å; L213-Y234 WeakPolarHBondContact O-CA 3.17Å; R214-Y234 HydrophobicContact CB-CD1 3.82Å; R214-Y234 HydrophobicContact CB-CE1 3.74Å; R214-Y234 HydrophobicContact CG-CD1 4.26Å; R214-Y234 HydrophobicContact CG-CE1 3.9Å; D232-Y234 HydrophobicContact CB-CE1 4.13Å; D232-Y234 HydrophobicContact CB-CE2 3.75Å; D232-Y234 VanDerWaalsContact CB-CZ 3.43Å; D232-Y234 WeakPolarHBondContact CB-OH 3.27Å; D232-Y234 PolarHBondContact OD2-OH 2.89Å; Y234-Y457 WeakPolarHBondContact O-CE2 3.41Å
235	V	96.8	Very high	82.4	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	136	163.5	62.2	0	0	0	0	107.9	F90 F185 L213 L215 V237 P280 V282 L418	F90-V235 HydrophobicContact CZ-CG2 4.33Å; F185-V235 HydrophobicContact CD1-CG1 4.49Å; F185-V235 HydrophobicContact CE1-CG1 4.01Å; L213-V235 HydrophobicContact CB-CG1 4.06Å; L213-V235 PolarHBondContact N-O 3.48Å; L213-V235 PolarHBondContact O-N 2.93Å; L215-V235 HydrophobicContact CD1-CB 4.29Å; L215-V235 HydrophobicContact CD1-CG1 3.96Å; V235-V237 HydrophobicContact CG1-CG2 4.43Å; V235-V237 HydrophobicContact CG2-CG2 4.48Å; V235-P280 CarbonylContact C-O 3.56Å; V235-P280 WeakPolarHBondContact CA-O 3.39Å; V235-V282 HydrophobicContact CG2-CG2 4.08Å; V235-L418 HydrophobicContact CG2-CD2 4.22Å
236	I	98.1	Very high	84.6	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.4	172.3	-47.8	-49.5	0	0	0	107.5	V211 K212 L263 M266 A267 D279 P280 I281 V282	V211-I236 WeakPolarHBondContact O-CA 3.28Å; K212-I236 HydrophobicContact CB-CD1 3.76Å; K212-I236 HydrophobicContact CD-CD1 3.67Å; K212-I236 HydrophobicContact CG-CD1 3.45Å; K212-I236 VanDerWaalsContact CG-CD1 3.45Å; I236-L263 HydrophobicContact CG2-CD1 3.84Å; I236-M266 HydrophobicContact CD1-CG 3.9Å; I236-M266 HydrophobicContact CD1-SD 4.33Å; I236-M266 HydrophobicContact CG1-CG 4.41Å; I236-M266 HydrophobicContact CG2-CG 4.09Å; I236-M266 HydrophobicContact CG2-SD 3.68Å; I236-A267 HydrophobicContact CG1-CB 3.95Å; I236-D279 HydrophobicContact CD1-CB 4.2Å; I236-D279 HydrophobicContact CG1-CB 4.18Å; I236-P280 PolarHBondContact N-O 3.22Å; I236-I281 HydrophobicContact CB-CG1 3.97Å; I236-I281 HydrophobicContact CG1-CG1 4.32Å; I236-I281 CarbonylContact O-C 3.55Å; I236-I281 WeakPolarHBondContact O-CA 3.29Å; I236-V282 PolarHBondContact O-N 3.2Å
237	V	98.8	Very high	86.9	Confident	0 Å²	0	52 Å²	52	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.6	174.8	-175.8	0	0	0	0	108.1	I138 C140 V178 L210 V211 L213 V235 V282	I138-V237 HydrophobicContact CD1-CG2 4.04Å; I138-V237 HydrophobicContact CG2-CG1 4.05Å; I138-V237 HydrophobicContact CG2-CG2 4.38Å; C140-V237 WeakPolarHBondContact SG-CG1 3.08Å; V178-V237 HydrophobicContact CG1-CG1 4.35Å; L210-V237 CarbonylContact C-O 3.59Å; L210-V237 WeakPolarHBondContact CA-O 2.94Å; V211-V237 HydrophobicContact CG2-CB 3.79Å; V211-V237 HydrophobicContact CG2-CG2 4.48Å; V211-V237 PolarHBondContact N-O 2.96Å; V211-V237 PolarHBondContact O-N 3.32Å; L213-V237 HydrophobicContact CD1-CG2 4.09Å; V235-V237 HydrophobicContact CG1-CG2 4.43Å; V235-V237 HydrophobicContact CG2-CG2 4.48Å; V237-V282 CarbonylContact C-O 3.58Å; V237-V282 VanDerWaalsContact CA-O 3.31Å; V237-V282 WeakPolarHBondContact CA-O 3.36Å
238	A	98.8	Very high	89.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	141	172.1	0	0	0	0	0	110	L210 L259 L263 V282 L283 C284	L210-A238 HydrophobicContact CD1-CB 4.5Å; L210-A238 HydrophobicContact CG-CB 4.03Å; A238-L259 HydrophobicContact CB-CD1 4.46Å; A238-L263 HydrophobicContact CB-CD1 3.77Å; A238-V282 PolarHBondContact N-O 3.5Å; A238-L283 HydrophobicContact CB-CD1 3.67Å; A238-C284 WeakPolarHBondContact O-CB 3.23Å; A238-C284 PolarHBondContact O-N 3.23Å
239	N	98.9	Very high	91.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.1	171.6	-176.4	12.5	0	0	0	108.7	C140 L141 Q142 A177 V178 G208 L209 C284	C140-N239 HydrophobicContact CB-CB 3.96Å; L141-N239 PolarHBondContact N-ND2 3.33Å; L141-N239 VanDerWaalsContact N-ND2 3.18Å; L141-N239 PolarHBondContact O-ND2 3Å; Q142-N239 PolarHBondContact NE2-OD1 3.44Å; A177-N239 PolarHBondContact O-ND2 3.34Å; V178-N239 HydrophobicContact CG2-CB 3.62Å; G208-N239 CarbonylContact C-O 3.59Å; G208-N239 WeakPolarHBondContact CA-O 3.24Å; L209-N239 PolarHBondContact N-O 2.84Å; L209-N239 PolarHBondContact O-N 3.35Å; N239-C284 VanDerWaalsContact CA-O 3.31Å; N239-C284 WeakPolarHBondContact CA-O 3.43Å
240	T	98.9	Very high	93.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	159	176.1	-168.1	0	0	0	0	112.1	Q142 Y195 I207 L242 L259 C284 G285 D286 M287	Q142-T240 WeakPolarHBondContact CG-O 3.24Å; Y195-T240 PolarHBondContact OH-OG1 3.08Å; I207-T240 PolarHBondContact O-OG1 2.71Å; T240-L242 HydrophobicContact CG2-CD2 4.17Å; T240-L242 HydrophobicContact CG2-CG 4.18Å; T240-L259 HydrophobicContact CG2-CD2 3.67Å; T240-C284 PolarHBondContact N-O 3.32Å; T240-G285 WeakPolarHBondContact O-CA 3.49Å; T240-D286 PolarHBondContact O-N 3.12Å; T240-D286 VanDerWaalsContact O-N 3.12Å; T240-M287 HydrophobicContact CG2-CE 4.01Å; T240-M287 HydrophobicContact CG2-SD 3.76Å
241	H	98.7	Very high	95.7	Very high	11 Å²	11	20 Å²	20	5%	0.051	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	98.3	164.2	-179.4	-165.3	0	0	0	107.2	Q142 E143 N206 D286 N288	Q142-H241 HydrophobicContact CB-CB 4.15Å; Q142-H241 HydrophobicContact CG-CB 4.17Å; E143-H241 IonicContact OE1-CE1 3.88Å; E143-H241 PolarHBondContact OE1-CE1 3.48Å; E143-H241 VanDerWaalsContact OE1-CE1 3.26Å; E143-H241 IonicContact OE1-NE2 3.14Å; N206-H241 WeakPolarHBondContact CB-O 3.26Å; N206-H241 PolarHBondContact ND2-O 3.02Å; H241-D286 WeakPolarHBondContact CA-O 3.46Å; H241-D286 IonicContact CD2-OD2 3.89Å; H241-D286 IonicContact NE2-OD2 3.26Å; H241-N288 PolarHBondContact CD2-ND2 3.19Å; H241-N288 PolarHBondContact NE2-ND2 3.13Å
242	L	98.7	Very high	96.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.08	C	C	.	.			trans	-70.9	163.5	179.3	-60.8	-170.9	0	0	0	110.7	Y195 N206 T240 Y244 Q255 L256 D286 M287 N288 M295	Y195-L242 HydrophobicContact CE2-CD2 3.98Å; N206-L242 PolarHBondContact ND2-O 3.49Å; T240-L242 HydrophobicContact CG2-CD2 4.17Å; T240-L242 HydrophobicContact CG2-CG 4.18Å; L242-Y244 PolarHBondContact O-N 3.17Å; L242-Q255 HydrophobicContact CD2-CB 3.75Å; L242-L256 HydrophobicContact CD1-CB 4.37Å; L242-L256 HydrophobicContact CD1-CD1 4.49Å; L242-D286 PolarHBondContact N-O 3.43Å; L242-M287 HydrophobicContact CD1-CB 4.4Å; L242-M287 HydrophobicContact CD1-SD 4.11Å; L242-M287 HydrophobicContact CG-SD 4.45Å; L242-N288 PolarHBondContact O-ND2 3.01Å; L242-M295 HydrophobicContact CD1-CE 3.54Å
243	L	98.5	Very high	97.4	Very high	13 Å²	13	16.2 Å²	16.2	7%	0.068	7%	0.069	C	C	.	.			trans	-54.3	130.8	-179	174.6	66.5	0	0	0	111.7	R204 N206 N245 R248 I251 K252 N288	R204-L243 HydrophobicContact CB-CD1 4.33Å; R204-L243 HydrophobicContact CG-CD1 3.85Å; R204-L243 HydrophobicContact CG-CD2 4.03Å; R204-L243 HydrophobicContact CG-CG 4.48Å; N206-L243 PolarHBondContact ND2-N 3.03Å; L243-N245 HydrophobicContact CD1-CB 4.33Å; L243-N245 HydrophobicContact CD2-CB 4.2Å; L243-N245 HydrophobicContact CG-CB 4.12Å; L243-R248 HydrophobicContact CD2-CB 3.53Å; L243-R248 HydrophobicContact CD2-CG 4.29Å; L243-I251 HydrophobicContact CB-CG2 4.4Å; L243-I251 HydrophobicContact CD2-CB 3.95Å; L243-I251 HydrophobicContact CD2-CD1 4.13Å; L243-I251 HydrophobicContact CD2-CG2 3.83Å; L243-K252 HydrophobicContact CB-CG 4.01Å; L243-K252 WeakPolarHBondContact O-CD 3.31Å; L243-K252 WeakPolarHBondContact O-CE 3.37Å; L243-K252 PolarHBondContact O-NZ 3.42Å; L243-K252 VanDerWaalsContact O-NZ 3.13Å; L243-N288 VanDerWaalsContact O-CB 3.3Å; L243-N288 WeakPolarHBondContact O-CB 3.46Å
244	Y	96	Very high	97.8	Very high	125 Å²	125	16 Å²	16	49%	0.49	7%	0.068	S	C	.	.			trans	-62	-49.3	175.6	173.1	-110.9	0	0	0	113.1	L242 P246 K252	L242-Y244 PolarHBondContact O-N 3.17Å; Y244-P246 WeakPolarHBondContact O-CD 3.49Å; Y244-K252 PolarHBondContact O-NZ 3.13Å
245	N	96.3	Very high	98	Very high	30 Å²	30	14.4 Å²	14.4	16%	0.16	6%	0.062	C	C	.	.			trans	-49.3	113.5	-168.9	-173.8	-33.1	0	0	0	113.2	L243 R247 R248 K252	L243-N245 HydrophobicContact CD1-CB 4.33Å; L243-N245 HydrophobicContact CD2-CB 4.2Å; L243-N245 HydrophobicContact CG-CB 4.12Å; N245-R247 PolarHBondContact O-N 3.03Å; N245-R247 WeakPolarHBondContact OD1-CB 3.34Å; N245-R247 PolarHBondContact OD1-N 2.77Å; N245-R248 HydrophobicContact CB-CB 4.46Å; N245-R248 HydrophobicContact CB-CG 4.39Å; N245-R248 PolarHBondContact O-N 3.34Å; N245-K252 WeakPolarHBondContact O-CE 3.33Å; N245-K252 PolarHBondContact O-NZ 2.93Å
246	P	95.9	Very high	98.1	Very high	15 Å²	15	14.4 Å²	14.4	10%	0.097	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.4	-171.5	29.3	-37.5	0	0	0	113.5	Y244 R248 L317 G318	Y244-P246 WeakPolarHBondContact O-CD 3.49Å; P246-R248 VanDerWaalsContact C-N 3.34Å; P246-L317 HydrophobicContact CB-CB 3.64Å; P246-L317 WeakPolarHBondContact CB-O 3.47Å; P246-G318 WeakPolarHBondContact O-CA 3.41Å
247	R	97.8	Very high	98.2	Very high	54 Å²	54	14.4 Å²	14.4	20%	0.204	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-2.7	178.7	-61.4	-178.6	176.5	82.4	16.1	113.8	M9 N245 R311 N312 P319	M9-R247 VanDerWaalsContact SD-CZ 3.59Å; M9-R247 PolarHBondContact SD-NH2 3.36Å; N245-R247 PolarHBondContact O-N 3.03Å; N245-R247 WeakPolarHBondContact OD1-CB 3.34Å; N245-R247 PolarHBondContact OD1-N 2.77Å; R247-R311 WeakPolarHBondContact O-CD 3.44Å; R247-R311 PolarHBondContact O-NE 3.47Å; R247-N312 PolarHBondContact O-OD1 2.91Å; R247-N312 VanDerWaalsContact O-OD1 3.04Å; R247-P319 HydrophobicContact CG-CG 4.3Å
248	R	97.9	Very high	98.1	Very high	39 Å²	39	14.9 Å²	14.9	15%	0.147	6%	0.064	C	C	.	.			trans	-116.7	47.8	-173.8	-65.3	-55.3	-55.3	-84.8	9.4	112.6	Y201 L243 N245 P246 D250 I251 K252	Y201-R248 PolarHBondContact O-NH2 3.19Å; L243-R248 HydrophobicContact CD2-CB 3.53Å; L243-R248 HydrophobicContact CD2-CG 4.29Å; N245-R248 HydrophobicContact CB-CB 4.46Å; N245-R248 HydrophobicContact CB-CG 4.39Å; N245-R248 PolarHBondContact O-N 3.34Å; P246-R248 VanDerWaalsContact C-N 3.34Å; R248-D250 WeakPolarHBondContact CA-OD1 3.08Å; R248-D250 IonicContact CZ-OD1 3.51Å; R248-D250 IonicContact CZ-OD2 3.93Å; R248-D250 IonicContact NE-OD1 3.25Å; R248-D250 PolarHBondContact NE-OD1 2.85Å; R248-D250 IonicContact NE-OD2 3.65Å; R248-D250 PolarHBondContact NE-OD2 3.25Å; R248-D250 IonicContact NH2-OD1 2.96Å; R248-D250 IonicContact NH2-OD2 2.88Å; R248-D250 PolarHBondContact NH2-OD2 2.79Å; R248-D250 PolarHBondContact O-N 3.22Å; R248-I251 HydrophobicContact CB-CB 4.42Å; R248-I251 HydrophobicContact CB-CD1 4.45Å; R248-I251 HydrophobicContact CB-CG1 4.49Å; R248-I251 VanDerWaalsContact NH1-CD1 3.35Å; R248-I251 VanDerWaalsContact NH2-CG1 3.29Å; R248-I251 PolarHBondContact O-N 3.1Å; R248-I251 VanDerWaalsContact O-N 3.14Å; R248-K252 WeakPolarHBondContact O-CG 3.48Å; R248-K252 PolarHBondContact O-N 3.31Å; R248-K252 VanDerWaalsContact O-N 3.14Å
249	G	98.2	Very high	98.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.8	-25.7	175.2	0	0	0	0	0	113.9	K252 L253 R311	G249-K252 PolarHBondContact O-N 3.42Å; G249-L253 VanDerWaalsContact O-CB 3.22Å; G249-L253 WeakPolarHBondContact O-CB 3.1Å; G249-L253 PolarHBondContact O-N 2.9Å; G249-R311 WeakPolarHBondContact CA-O 3.39Å; G249-R311 PolarHBondContact N-O 3.01Å
250	D	97.8	Very high	98.1	Very high	15 Å²	15	14.9 Å²	14.9	8%	0.08	6%	0.064	C	C	.	.	H	α-helix	trans	-55.7	-51.9	169.1	57.5	-27.4	0	0	0	112.1	Y201 R248 V254 R311 L325	Y201-D250 HydrophobicContact CE2-CB 3.97Å; R248-D250 WeakPolarHBondContact CA-OD1 3.08Å; R248-D250 IonicContact CZ-OD1 3.51Å; R248-D250 IonicContact CZ-OD2 3.93Å; R248-D250 IonicContact NE-OD1 3.25Å; R248-D250 PolarHBondContact NE-OD1 2.85Å; R248-D250 IonicContact NE-OD2 3.65Å; R248-D250 PolarHBondContact NE-OD2 3.25Å; R248-D250 IonicContact NH2-OD1 2.96Å; R248-D250 IonicContact NH2-OD2 2.88Å; R248-D250 PolarHBondContact NH2-OD2 2.79Å; R248-D250 PolarHBondContact O-N 3.22Å; D250-V254 PolarHBondContact O-N 2.97Å; D250-R311 HydrophobicContact CB-CG 3.87Å; D250-R311 VanDerWaalsContact OD1-CD 3.3Å; D250-R311 WeakPolarHBondContact OD1-CD 3.16Å; D250-L325 HydrophobicContact CB-CD2 3.69Å
251	I	98.6	Very high	98.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.5	-49.6	177.6	-67.1	-175	0	0	0	109.9	Y201 V202 D203 R204 L243 R248 L253 V254 Q255	Y201-I251 HydrophobicContact CD2-CG1 4.23Å; Y201-I251 HydrophobicContact CE2-CG1 4.4Å; Y201-I251 WeakPolarHBondContact O-CD1 3.47Å; V202-I251 HydrophobicContact CG1-CG2 4.22Å; D203-I251 WeakPolarHBondContact OD1-CD1 3.12Å; R204-I251 HydrophobicContact CB-CG2 4.39Å; R204-I251 HydrophobicContact CG-CD1 3.86Å; R204-I251 HydrophobicContact CG-CG2 4.31Å; L243-I251 HydrophobicContact CB-CG2 4.4Å; L243-I251 HydrophobicContact CD2-CB 3.95Å; L243-I251 HydrophobicContact CD2-CD1 4.13Å; L243-I251 HydrophobicContact CD2-CG2 3.83Å; R248-I251 HydrophobicContact CB-CB 4.42Å; R248-I251 HydrophobicContact CB-CD1 4.45Å; R248-I251 HydrophobicContact CB-CG1 4.49Å; R248-I251 VanDerWaalsContact NH1-CD1 3.35Å; R248-I251 VanDerWaalsContact NH2-CG1 3.29Å; R248-I251 PolarHBondContact O-N 3.1Å; R248-I251 VanDerWaalsContact O-N 3.14Å; I251-L253 PolarHBondContact O-N 2.88Å; I251-V254 PolarHBondContact O-N 3.18Å; I251-V254 VanDerWaalsContact O-N 3.12Å; I251-Q255 HydrophobicContact CG2-CG 3.96Å; I251-Q255 VanDerWaalsContact O-CG 3.25Å; I251-Q255 WeakPolarHBondContact O-CG 3.42Å; I251-Q255 PolarHBondContact O-N 2.8Å
252	K	98.7	Very high	98	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-55.9	-40.8	-177.9	-63.4	-176.2	-161.7	-154.6	0	111.5	L243 Y244 N245 R248 G249 Q255 L256 N288 M295	L243-K252 HydrophobicContact CB-CG 4.01Å; L243-K252 WeakPolarHBondContact O-CD 3.31Å; L243-K252 WeakPolarHBondContact O-CE 3.37Å; L243-K252 PolarHBondContact O-NZ 3.42Å; L243-K252 VanDerWaalsContact O-NZ 3.13Å; Y244-K252 PolarHBondContact O-NZ 3.13Å; N245-K252 WeakPolarHBondContact O-CE 3.33Å; N245-K252 PolarHBondContact O-NZ 2.93Å; R248-K252 WeakPolarHBondContact O-CG 3.48Å; R248-K252 PolarHBondContact O-N 3.31Å; R248-K252 VanDerWaalsContact O-N 3.14Å; G249-K252 PolarHBondContact O-N 3.42Å; K252-Q255 WeakPolarHBondContact O-CB 3.48Å; K252-Q255 PolarHBondContact O-N 2.85Å; K252-L256 WeakPolarHBondContact O-CB 3.38Å; K252-L256 PolarHBondContact O-N 3.33Å; K252-N288 PolarHBondContact NZ-O 3.03Å; K252-M295 HydrophobicContact CB-CE 3.66Å; K252-M295 HydrophobicContact CB-SD 3.66Å; K252-M295 HydrophobicContact CD-SD 4.2Å
253	L	98.2	Very high	97.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-67.5	-41.1	179.1	-170.3	55.4	0	0	0	112.1	G249 I251 L256 C257 M295 F298 L304 I314 L325 I329 L365	G249-L253 VanDerWaalsContact O-CB 3.22Å; G249-L253 WeakPolarHBondContact O-CB 3.1Å; G249-L253 PolarHBondContact O-N 2.9Å; I251-L253 PolarHBondContact O-N 2.88Å; L253-L256 WeakPolarHBondContact O-CB 3.07Å; L253-L256 PolarHBondContact O-N 3.31Å; L253-C257 PolarHBondContact O-N 2.87Å; L253-C257 PolarHBondContact O-SG 3.42Å; L253-M295 HydrophobicContact CD1-CG 4.37Å; L253-F298 HydrophobicContact CD1-CD1 3.84Å; L253-F298 HydrophobicContact CD1-CE1 4.24Å; L253-L304 HydrophobicContact CD1-CD2 4.06Å; L253-L304 HydrophobicContact CD2-CD2 3.85Å; L253-I314 HydrophobicContact CB-CG2 4.23Å; L253-I314 HydrophobicContact CD2-CG2 4.18Å; L253-L325 HydrophobicContact CD2-CD1 4.32Å; L253-I329 HydrophobicContact CB-CD1 4.37Å; L253-I329 HydrophobicContact CD2-CD1 3.88Å; L253-I329 HydrophobicContact CG-CD1 4.39Å; L253-L365 HydrophobicContact CD1-CD1 3.69Å; L253-L365 HydrophobicContact CD2-CD1 3.55Å; L253-L365 HydrophobicContact CG-CD1 3.47Å; L253-L365 VanDerWaalsContact CG-CD1 3.47Å
254	V	98.6	Very high	97.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-68.3	-38.6	173.9	179.3	0	0	0	0	112.1	I197 Y201 V202 D250 I251 L256 C257 Q258 I329 I330	I197-V254 HydrophobicContact CD1-CG1 3.98Å; Y201-V254 VanDerWaalsContact OH-CG2 3.24Å; Y201-V254 WeakPolarHBondContact OH-CG2 3.31Å; V202-V254 HydrophobicContact CG1-CG1 4.34Å; V202-V254 HydrophobicContact CG2-CB 4.09Å; V202-V254 HydrophobicContact CG2-CG1 3.98Å; V202-V254 HydrophobicContact CG2-CG2 4.28Å; D250-V254 PolarHBondContact O-N 2.97Å; I251-V254 PolarHBondContact O-N 3.18Å; I251-V254 VanDerWaalsContact O-N 3.12Å; V254-L256 VanDerWaalsContact C-N 3.29Å; V254-L256 PolarHBondContact O-N 3.1Å; V254-C257 PolarHBondContact O-N 2.69Å; V254-Q258 HydrophobicContact CG1-CG 4.48Å; V254-Q258 WeakPolarHBondContact O-CG 3.31Å; V254-Q258 PolarHBondContact O-N 3.16Å; V254-I329 HydrophobicContact CG2-CD1 4.5Å; V254-I329 HydrophobicContact CG2-CG1 3.96Å; V254-I330 HydrophobicContact CG2-CG1 4.44Å
255	Q	98.8	Very high	97.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57	-45.7	172.8	-68	178.3	-22.3	0	0	110.9	Y195 N206 L242 I251 K252 Q258 L259	Y195-Q255 HydrophobicContact CD1-CB 4.24Å; Y195-Q255 HydrophobicContact CD2-CB 3.78Å; Y195-Q255 HydrophobicContact CD2-CG 3.74Å; Y195-Q255 VanDerWaalsContact CE1-O 3.25Å; Y195-Q255 WeakPolarHBondContact CE1-O 3.25Å; Y195-Q255 HydrophobicContact CE2-CB 4.13Å; Y195-Q255 HydrophobicContact CG-CB 3.86Å; Y195-Q255 HydrophobicContact CG-CG 3.77Å; N206-Q255 PolarHBondContact OD1-NE2 2.71Å; L242-Q255 HydrophobicContact CD2-CB 3.75Å; I251-Q255 HydrophobicContact CG2-CG 3.96Å; I251-Q255 VanDerWaalsContact O-CG 3.25Å; I251-Q255 WeakPolarHBondContact O-CG 3.42Å; I251-Q255 PolarHBondContact O-N 2.8Å; K252-Q255 WeakPolarHBondContact O-CB 3.48Å; K252-Q255 PolarHBondContact O-N 2.85Å; Q255-Q258 PolarHBondContact O-N 3.43Å; Q255-L259 PolarHBondContact O-N 2.74Å
256	L	98.7	Very high	97.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.5	-44.5	176.3	-174.3	60.8	0	0	0	112	L242 K252 L253 V254 Q258 L259 L260 M295 F298 L299	L242-L256 HydrophobicContact CD1-CB 4.37Å; L242-L256 HydrophobicContact CD1-CD1 4.49Å; K252-L256 WeakPolarHBondContact O-CB 3.38Å; K252-L256 PolarHBondContact O-N 3.33Å; L253-L256 WeakPolarHBondContact O-CB 3.07Å; L253-L256 PolarHBondContact O-N 3.31Å; V254-L256 VanDerWaalsContact C-N 3.29Å; V254-L256 PolarHBondContact O-N 3.1Å; L256-Q258 VanDerWaalsContact C-N 3.32Å; L256-Q258 PolarHBondContact O-N 3.44Å; L256-L259 WeakPolarHBondContact O-CB 3.3Å; L256-L259 PolarHBondContact O-N 3.05Å; L256-L259 VanDerWaalsContact O-N 3.15Å; L256-L260 HydrophobicContact CD1-CD1 4.49Å; L256-L260 HydrophobicContact CD1-CG 4.46Å; L256-L260 HydrophobicContact CG-CD1 4.03Å; L256-L260 HydrophobicContact CG-CG 4.46Å; L256-L260 VanDerWaalsContact O-CG 3.27Å; L256-L260 WeakPolarHBondContact O-CG 3.36Å; L256-L260 PolarHBondContact O-N 3.19Å; L256-M295 HydrophobicContact CD2-CE 4.26Å; L256-F298 HydrophobicContact CD2-CD1 3.93Å; L256-F298 HydrophobicContact CD2-CE1 4.41Å; L256-L299 HydrophobicContact CD1-CD1 4.4Å; L256-L299 HydrophobicContact CD1-CD2 3.79Å; L256-L299 HydrophobicContact CD1-CG 4.35Å; L256-L299 HydrophobicContact CD2-CD1 4.3Å; L256-L299 HydrophobicContact CD2-CD2 4.18Å; L256-L299 HydrophobicContact CD2-CG 3.98Å; L256-L299 HydrophobicContact CG-CD2 4.34Å
257	C	98.6	Very high	97.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.6	-40.8	176	-65.2	0	0	0	0	112.4	L253 V254 L259 L260 A261 I330 C341	L253-C257 PolarHBondContact O-N 2.87Å; L253-C257 PolarHBondContact O-SG 3.42Å; V254-C257 PolarHBondContact O-N 2.69Å; C257-L259 VanDerWaalsContact C-N 3.34Å; C257-L260 PolarHBondContact O-N 2.84Å; C257-A261 PolarHBondContact O-N 2.92Å; C257-I330 HydrophobicContact CB-CD1 3.6Å; C257-I330 HydrophobicContact CB-CG1 4.29Å; C257-C341 VanDerWaalsContact SG-SG 3.65Å
258	Q	98.7	Very high	97.3	Very high	10 Å²	10	19.7 Å²	19.7	5%	0.047	9%	0.087	C	C	.	.	H	α-helix	trans	-61.6	-42.4	174.2	-72.3	-175.8	93.8	0	0	111.8	V193 Y195 V254 Q255 L256 A261 H262 V334 I336	V193-Q258 HydrophobicContact CG1-CB 4.34Å; Y195-Q258 HydrophobicContact CD1-CB 3.87Å; Y195-Q258 HydrophobicContact CE1-CB 4.16Å; Y195-Q258 PolarHBondContact O-NE2 3.04Å; V254-Q258 HydrophobicContact CG1-CG 4.48Å; V254-Q258 WeakPolarHBondContact O-CG 3.31Å; V254-Q258 PolarHBondContact O-N 3.16Å; Q255-Q258 PolarHBondContact O-N 3.43Å; L256-Q258 VanDerWaalsContact C-N 3.32Å; L256-Q258 PolarHBondContact O-N 3.44Å; Q258-A261 PolarHBondContact O-N 2.61Å; Q258-H262 PolarHBondContact O-N 2.71Å; Q258-H262 PolarHBondContact O-ND1 3.28Å; Q258-V334 HydrophobicContact CG-CG1 4.12Å; Q258-I336 HydrophobicContact CB-CD1 4.37Å; Q258-I336 HydrophobicContact CG-CD1 3.98Å
259	L	98.7	Very high	96.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.4	-49.5	176.4	-176.1	60.9	0	0	0	111.6	Y195 L210 A238 T240 Q255 L256 C257 A261 H262 L263 L283	Y195-L259 HydrophobicContact CE1-CB 4.17Å; L210-L259 HydrophobicContact CD1-CD1 3.58Å; A238-L259 HydrophobicContact CB-CD1 4.46Å; T240-L259 HydrophobicContact CG2-CD2 3.67Å; Q255-L259 PolarHBondContact O-N 2.74Å; L256-L259 WeakPolarHBondContact O-CB 3.3Å; L256-L259 PolarHBondContact O-N 3.05Å; L256-L259 VanDerWaalsContact O-N 3.15Å; C257-L259 VanDerWaalsContact C-N 3.34Å; L259-A261 VanDerWaalsContact C-N 3.29Å; L259-A261 PolarHBondContact O-N 3.36Å; L259-H262 PolarHBondContact O-N 3.23Å; L259-L263 VanDerWaalsContact O-CB 3.31Å; L259-L263 WeakPolarHBondContact O-CB 3.34Å; L259-L263 PolarHBondContact O-N 2.94Å; L259-L283 HydrophobicContact CD2-CD1 3.58Å; L259-L283 HydrophobicContact CG-CD1 4.42Å
260	L	98	Very high	96.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.1	-37.7	179.7	-67.4	167.5	0	0	0	111.9	L256 C257 L263 Q264 F298 L299 C341 H367 L369 L371	L256-L260 HydrophobicContact CD1-CD1 4.49Å; L256-L260 HydrophobicContact CD1-CG 4.46Å; L256-L260 HydrophobicContact CG-CD1 4.03Å; L256-L260 HydrophobicContact CG-CG 4.46Å; L256-L260 VanDerWaalsContact O-CG 3.27Å; L256-L260 WeakPolarHBondContact O-CG 3.36Å; L256-L260 PolarHBondContact O-N 3.19Å; C257-L260 PolarHBondContact O-N 2.84Å; L260-L263 HydrophobicContact CD2-CD2 4.37Å; L260-L263 WeakPolarHBondContact O-CB 3.38Å; L260-L263 PolarHBondContact O-N 3.3Å; L260-Q264 WeakPolarHBondContact O-CB 3.32Å; L260-Q264 VanDerWaalsContact O-CG 3.25Å; L260-Q264 WeakPolarHBondContact O-CG 3.3Å; L260-Q264 PolarHBondContact O-N 3.21Å; L260-F298 HydrophobicContact CD1-CD1 4.47Å; L260-F298 HydrophobicContact CD1-CE1 3.68Å; L260-F298 HydrophobicContact CD1-CZ 4.06Å; L260-L299 HydrophobicContact CD2-CD2 4.07Å; L260-C341 HydrophobicContact CB-CB 4.13Å; L260-H367 HydrophobicContact CD1-CB 4.48Å; L260-L369 HydrophobicContact CD2-CD1 3.78Å; L260-L371 HydrophobicContact CD2-CD1 4.32Å
261	A	98	Very high	95.4	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-63.1	-43.9	175.9	0	0	0	0	0	113.3	C257 Q258 L259 K265 I336 C341 F343	C257-A261 PolarHBondContact O-N 2.92Å; Q258-A261 PolarHBondContact O-N 2.61Å; L259-A261 VanDerWaalsContact C-N 3.29Å; L259-A261 PolarHBondContact O-N 3.36Å; A261-K265 WeakPolarHBondContact O-CB 3.45Å; A261-K265 PolarHBondContact O-N 3.09Å; A261-K265 VanDerWaalsContact O-N 3.1Å; A261-I336 HydrophobicContact CB-CD1 3.56Å; A261-I336 HydrophobicContact CB-CG1 3.88Å; A261-I336 HydrophobicContact CB-CG2 4.3Å; A261-C341 WeakPolarHBondContact CA-O 3.24Å; A261-C341 WeakPolarHBondContact CB-O 3.43Å; A261-C341 PolarHBondContact N-O 3.18Å; A261-F343 HydrophobicContact CB-CD2 4.2Å; A261-F343 HydrophobicContact CB-CE2 3.86Å; A261-F343 HydrophobicContact CB-CZ 4.03Å
262	H	98.1	Very high	94.5	Very high	46 Å²	46	33.9 Å²	33.9	21%	0.213	15%	0.147	C	C	.	.	H	α-helix	trans	-67.8	-38.8	175.4	-71.1	92.5	0	0	0	111.9	V193 L210 Q258 L259 K265 M266 F343	V193-H262 HydrophobicContact CG2-CB 3.79Å; V193-H262 VanDerWaalsContact CG2-CG 3.48Å; L210-H262 HydrophobicContact CD2-CB 3.92Å; Q258-H262 PolarHBondContact O-N 2.71Å; Q258-H262 PolarHBondContact O-ND1 3.28Å; L259-H262 PolarHBondContact O-N 3.23Å; H262-K265 PolarHBondContact O-N 2.95Å; H262-M266 WeakPolarHBondContact O-CB 3.41Å; H262-M266 PolarHBondContact O-N 3.01Å; H262-F343 AromaticContact CD2-CZ 3.83Å; H262-F343 AromaticContact CE1-CZ 3.51Å; H262-F343 AromaticContact CG-CZ 3.94Å; H262-F343 AromaticContact ND1-CZ 3.72Å; H262-F343 AromaticContact NE2-CZ 3.55Å
263	L	96.5	Very high	93.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62	-51.5	178.9	-167.1	63.1	0	0	0	111.5	L210 I236 A238 L259 L260 K265 M266 A267 I281 L369	L210-L263 HydrophobicContact CD2-CB 4.21Å; L210-L263 HydrophobicContact CD2-CD1 4.02Å; L210-L263 HydrophobicContact CG-CD1 4.48Å; I236-L263 HydrophobicContact CG2-CD1 3.84Å; A238-L263 HydrophobicContact CB-CD1 3.77Å; L259-L263 VanDerWaalsContact O-CB 3.31Å; L259-L263 WeakPolarHBondContact O-CB 3.34Å; L259-L263 PolarHBondContact O-N 2.94Å; L260-L263 HydrophobicContact CD2-CD2 4.37Å; L260-L263 WeakPolarHBondContact O-CB 3.38Å; L260-L263 PolarHBondContact O-N 3.3Å; L263-K265 VanDerWaalsContact C-N 3.32Å; L263-K265 PolarHBondContact O-N 3.15Å; L263-M266 PolarHBondContact O-N 2.85Å; L263-A267 VanDerWaalsContact O-CB 3.26Å; L263-A267 WeakPolarHBondContact O-CB 3.22Å; L263-A267 PolarHBondContact O-N 3.04Å; L263-I281 HydrophobicContact CD1-CD1 4.37Å; L263-I281 HydrophobicContact CD1-CG1 4.13Å; L263-I281 HydrophobicContact CD1-CG2 3.7Å; L263-I281 HydrophobicContact CD2-CD1 4.34Å; L263-I281 HydrophobicContact CD2-CG2 3.79Å; L263-I281 HydrophobicContact CG-CD1 3.86Å; L263-I281 HydrophobicContact CG-CG1 4.17Å; L263-I281 HydrophobicContact CG-CG2 3.94Å; L263-L369 HydrophobicContact CB-CD1 4.39Å; L263-L369 HydrophobicContact CD2-CD1 3.43Å; L263-L369 VanDerWaalsContact CD2-CD1 3.43Å; L263-L369 HydrophobicContact CG-CD1 3.98Å
264	Q	95	Very high	93	Very high	17 Å²	17	40.5 Å²	40.5	8%	0.079	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-41.4	176.1	-70.2	-179.8	149.3	0	0	111.7	L260 K268 G340 C341 S368 L369	L260-Q264 WeakPolarHBondContact O-CB 3.32Å; L260-Q264 VanDerWaalsContact O-CG 3.25Å; L260-Q264 WeakPolarHBondContact O-CG 3.3Å; L260-Q264 PolarHBondContact O-N 3.21Å; Q264-K268 WeakPolarHBondContact O-CB 2.97Å; Q264-K268 PolarHBondContact O-N 2.8Å; Q264-G340 PolarHBondContact NE2-O 3.43Å; Q264-C341 PolarHBondContact NE2-O 3.21Å; Q264-S368 PolarHBondContact OE1-OG 3.02Å; Q264-S368 VanDerWaalsContact OE1-OG 3.12Å; Q264-L369 HydrophobicContact CG-CD1 4.01Å; Q264-L369 HydrophobicContact CG-CD2 3.62Å; Q264-L369 HydrophobicContact CG-CG 3.62Å
265	K	95.4	Very high	92.2	Very high	146 Å²	146	43.5 Å²	43.5	64%	0.635	21%	0.208	S	C	*	.	H	α-helix	trans	-63.5	-42.7	177	-178.9	-179.6	174.5	-176	0	112.3	A261 H262 L263 F343	A261-K265 WeakPolarHBondContact O-CB 3.45Å; A261-K265 PolarHBondContact O-N 3.09Å; A261-K265 VanDerWaalsContact O-N 3.1Å; H262-K265 PolarHBondContact O-N 2.95Å; L263-K265 VanDerWaalsContact C-N 3.32Å; L263-K265 PolarHBondContact O-N 3.15Å; K265-F343 HydrophobicContact CB-CD2 4.25Å; K265-F343 HydrophobicContact CB-CE2 4.33Å; K265-F343 HydrophobicContact CD-CD2 3.81Å; K265-F343 HydrophobicContact CD-CE2 3.9Å
266	M	95.9	Very high	91.5	Very high	19 Å²	19	47.3 Å²	47.3	9%	0.094	23%	0.232	C	C	.	.	H	α-helix	trans	-74.5	-34.2	-178.4	-178.2	176.4	-79.4	0	0	112.8	V191 L210 K212 I236 H262 L263	V191-M266 HydrophobicContact CB-CE 3.72Å; V191-M266 HydrophobicContact CG2-CE 3.35Å; L210-M266 HydrophobicContact CB-CE 4Å; L210-M266 HydrophobicContact CB-SD 3.85Å; L210-M266 HydrophobicContact CD2-SD 4.34Å; K212-M266 HydrophobicContact CB-CG 4.3Å; K212-M266 HydrophobicContact CB-SD 3.98Å; K212-M266 HydrophobicContact CD-CG 4.42Å; K212-M266 PolarHBondContact NZ-O 3.42Å; I236-M266 HydrophobicContact CD1-CG 3.9Å; I236-M266 HydrophobicContact CD1-SD 4.33Å; I236-M266 HydrophobicContact CG1-CG 4.41Å; I236-M266 HydrophobicContact CG2-CG 4.09Å; I236-M266 HydrophobicContact CG2-SD 3.68Å; H262-M266 WeakPolarHBondContact O-CB 3.41Å; H262-M266 PolarHBondContact O-N 3.01Å; L263-M266 PolarHBondContact O-N 2.85Å
267	A	93.7	Very high	90.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-75.5	-37.4	-179.8	0	0	0	0	0	112.1	I236 L263 R269 C278 D279 I281	I236-A267 HydrophobicContact CG1-CB 3.95Å; L263-A267 VanDerWaalsContact O-CB 3.26Å; L263-A267 WeakPolarHBondContact O-CB 3.22Å; L263-A267 PolarHBondContact O-N 3.04Å; A267-R269 PolarHBondContact O-N 2.63Å; A267-C278 WeakPolarHBondContact CB-SG 3.24Å; A267-C278 CarbonylContact O-C 3.5Å; A267-C278 WeakPolarHBondContact O-CA 3.2Å; A267-D279 PolarHBondContact O-N 3.08Å; A267-I281 HydrophobicContact CB-CD1 3.67Å; A267-I281 HydrophobicContact CB-CG1 3.93Å
268	K	92.1	Very high	90.4	Very high	121 Å²	121	48.7 Å²	48.7	53%	0.526	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	128.8	178.5	-173	176.1	-179.3	177.4	0	112.1	Q264 F277	Q264-K268 WeakPolarHBondContact O-CB 2.97Å; Q264-K268 PolarHBondContact O-N 2.8Å; K268-F277 CarbonylContact C-O 3.6Å; K268-F277 WeakPolarHBondContact CA-O 3.29Å
269	R	87.6	Confident	90.1	Very high	53 Å²	53	48.3 Å²	48.3	20%	0.2	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	179	168.5	63.3	171.7	172.9	143.1	-10.8	110.8	D232 A267 F277 D279	D232-R269 PolarHBondContact O-NH2 3.18Å; A267-R269 PolarHBondContact O-N 2.63Å; R269-F277 HydrophobicContact CG-CB 4.38Å; R269-F277 HydrophobicContact CG-CD1 3.95Å; R269-F277 PolarHBondContact N-O 3.34Å; R269-F277 PolarHBondContact O-N 2.88Å; R269-D279 WeakPolarHBondContact CD-OD2 3.34Å; R269-D279 IonicContact CZ-OD1 2.89Å; R269-D279 VanDerWaalsContact CZ-OD1 3.25Å; R269-D279 IonicContact NE-OD1 3.27Å; R269-D279 PolarHBondContact NE-OD1 3.08Å; R269-D279 IonicContact NE-OD2 3.25Å; R269-D279 PolarHBondContact NE-OD2 2.98Å; R269-D279 IonicContact NH2-OD1 3.58Å; R269-D279 PolarHBondContact NH2-OD1 3.05Å
270	Y	85.8	Confident	89.9	Confident	149 Å²	149	48.3 Å²	48.3	58%	0.584	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.2	174	-67.6	-87.6	0	0	0	109.9	G274 E275 P276	Y270-G274 WeakPolarHBondContact CD1-O 3.16Å; Y270-E275 WeakPolarHBondContact CA-O 3.15Å; Y270-P276 HydrophobicContact CE1-CB 4.39Å
271	L	80.9	Confident	89.8	Confident	16 Å²	16	48.5 Å²	48.5	8%	0.084	24%	0.24	C	C	.	.			trans	-73.4	167.5	169.9	-63.3	179.9	0	0	0	110.1	N273 G274 E275 F277 K414	L271-N273 WeakPolarHBondContact CB-OD1 3.15Å; L271-N273 PolarHBondContact O-N 3.28Å; L271-G274 PolarHBondContact O-N 2.89Å; L271-E275 HydrophobicContact CD1-CB 4.37Å; L271-E275 PolarHBondContact N-O 3.08Å; L271-F277 HydrophobicContact CD1-CB 4.25Å; L271-F277 HydrophobicContact CD1-CD2 4.16Å; L271-F277 HydrophobicContact CD2-CB 3.85Å; L271-F277 HydrophobicContact CD2-CD1 4.37Å; L271-F277 HydrophobicContact CD2-CD2 3.99Å; L271-F277 HydrophobicContact CD2-CG 3.82Å; L271-F277 HydrophobicContact CG-CB 3.73Å; L271-F277 HydrophobicContact CG-CD2 4.3Å; L271-F277 HydrophobicContact CG-CG 4.18Å; L271-K414 HydrophobicContact CD1-CB 4.08Å; L271-K414 HydrophobicContact CD1-CD 4.25Å; L271-K414 HydrophobicContact CD1-CG 4.26Å; L271-K414 HydrophobicContact CD2-CD 4.39Å
272	E	79.3	Confident	89.8	Confident	133 Å²	133	48.5 Å²	48.5	62%	0.621	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.6	-180	-66.6	-178.8	176.1	0	0	113.2	R226 G274	R226-E272 IonicContact CZ-OE1 3.94Å; R226-E272 IonicContact CZ-OE2 3.17Å; R226-E272 IonicContact NH1-OE2 2.64Å; R226-E272 PolarHBondContact NH1-OE2 3.22Å; R226-E272 IonicContact NH2-OE1 2.98Å; R226-E272 PolarHBondContact NH2-OE1 3.02Å; R226-E272 IonicContact NH2-OE2 2.95Å; R226-E272 PolarHBondContact NH2-OE2 2.7Å; E272-G274 PolarHBondContact O-N 3.01Å
273	N	81.6	Confident	89.9	Confident	92 Å²	92	46.3 Å²	46.3	49%	0.492	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	2.7	175	63.5	-4.3	0	0	0	113.2	L271 E275 S413	L271-N273 WeakPolarHBondContact CB-OD1 3.15Å; L271-N273 PolarHBondContact O-N 3.28Å; N273-E275 VanDerWaalsContact C-N 3.3Å; N273-E275 PolarHBondContact ND2-OE2 3.06Å; N273-E275 PolarHBondContact O-N 3.07Å; N273-E275 WeakPolarHBondContact OD1-CB 3.34Å; N273-E275 PolarHBondContact OD1-N 3.23Å; N273-S413 PolarHBondContact ND2-OG 3.42Å
274	G	83	Confident	90	Very high	47 Å²	47	46.3 Å²	46.3	49%	0.485	23%	0.229	S	C	.	.	S	Bend	trans	81.4	1.7	-177.8	0	0	0	0	0	114.7	Y270 L271 E272	Y270-G274 WeakPolarHBondContact CD1-O 3.16Å; L271-G274 PolarHBondContact O-N 2.89Å; E272-G274 PolarHBondContact O-N 3.01Å
275	E	82.5	Confident	90.2	Very high	64 Å²	64	45.5 Å²	45.5	30%	0.299	23%	0.226	S	C	.	.			trans	-71.8	140.1	177	-70.8	178.2	164.2	0	0	111.3	Y270 L271 N273 S413	Y270-E275 WeakPolarHBondContact CA-O 3.15Å; L271-E275 HydrophobicContact CD1-CB 4.37Å; L271-E275 PolarHBondContact N-O 3.08Å; N273-E275 VanDerWaalsContact C-N 3.3Å; N273-E275 PolarHBondContact ND2-OE2 3.06Å; N273-E275 PolarHBondContact O-N 3.07Å; N273-E275 WeakPolarHBondContact OD1-CB 3.34Å; N273-E275 PolarHBondContact OD1-N 3.23Å; E275-S413 PolarHBondContact OE2-OG 2.84Å
276	P	83.6	Confident	90.3	Very high	79 Å²	79	38.6 Å²	38.6	51%	0.513	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	141	172.6	29.8	-33.9	0	0	0	110.4	Y270	Y270-P276 HydrophobicContact CE1-CB 4.39Å
277	F	85.2	Confident	90.4	Very high	12 Å²	12	37.8 Å²	37.8	5%	0.053	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	147.1	179.3	179.2	-89.1	0	0	0	109.7	K268 R269 L271 D279 K414 V416	K268-F277 CarbonylContact C-O 3.6Å; K268-F277 WeakPolarHBondContact CA-O 3.29Å; R269-F277 HydrophobicContact CG-CB 4.38Å; R269-F277 HydrophobicContact CG-CD1 3.95Å; R269-F277 PolarHBondContact N-O 3.34Å; R269-F277 PolarHBondContact O-N 2.88Å; L271-F277 HydrophobicContact CD1-CB 4.25Å; L271-F277 HydrophobicContact CD1-CD2 4.16Å; L271-F277 HydrophobicContact CD2-CB 3.85Å; L271-F277 HydrophobicContact CD2-CD1 4.37Å; L271-F277 HydrophobicContact CD2-CD2 3.99Å; L271-F277 HydrophobicContact CD2-CG 3.82Å; L271-F277 HydrophobicContact CG-CB 3.73Å; L271-F277 HydrophobicContact CG-CD2 4.3Å; L271-F277 HydrophobicContact CG-CG 4.18Å; F277-D279 WeakPolarHBondContact CE1-OD1 3.38Å; F277-K414 WeakPolarHBondContact CE2-O 3.22Å; F277-V416 HydrophobicContact CE1-CG2 4.24Å; F277-V416 HydrophobicContact CE2-CG1 4.41Å; F277-V416 HydrophobicContact CE2-CG2 4.02Å; F277-V416 HydrophobicContact CZ-CB 4.23Å; F277-V416 HydrophobicContact CZ-CG1 3.88Å; F277-V416 HydrophobicContact CZ-CG2 3.36Å
278	C	89.1	Confident	90.6	Very high	18 Å²	18	38.1 Å²	38.1	12%	0.122	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124.9	177.1	-142.7	0	0	0	0	109.2	A267 S405	A267-C278 WeakPolarHBondContact CB-SG 3.24Å; A267-C278 CarbonylContact O-C 3.5Å; A267-C278 WeakPolarHBondContact O-CA 3.2Å; C278-S405 WeakPolarHBondContact CB-O 3.43Å; C278-S405 PolarHBondContact N-OG 3.34Å; C278-S405 VanDerWaalsContact N-OG 3.17Å; C278-S405 WeakPolarHBondContact O-CA 3.28Å; C278-S405 WeakPolarHBondContact O-CB 3.38Å; C278-S405 PolarHBondContact O-OG 3.09Å
279	D	92.1	Very high	90.9	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.169	C	C	.	.			trans	-66.8	138.8	171	-65.6	-53.4	0	0	0	109.7	K212 I236 A267 R269 F277	K212-D279 WeakPolarHBondContact CE-OD2 3.27Å; K212-D279 IonicContact NZ-OD2 3.95Å; K212-D279 PolarHBondContact NZ-OD2 3.27Å; I236-D279 HydrophobicContact CD1-CB 4.2Å; I236-D279 HydrophobicContact CG1-CB 4.18Å; A267-D279 PolarHBondContact O-N 3.08Å; R269-D279 WeakPolarHBondContact CD-OD2 3.34Å; R269-D279 IonicContact CZ-OD1 2.89Å; R269-D279 VanDerWaalsContact CZ-OD1 3.25Å; R269-D279 IonicContact NE-OD1 3.27Å; R269-D279 PolarHBondContact NE-OD1 3.08Å; R269-D279 IonicContact NE-OD2 3.25Å; R269-D279 PolarHBondContact NE-OD2 2.98Å; R269-D279 IonicContact NH2-OD1 3.58Å; R269-D279 PolarHBondContact NH2-OD1 3.05Å; F277-D279 WeakPolarHBondContact CE1-OD1 3.38Å
280	P	94.3	Very high	91.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.			trans	-54	147.8	178.2	-29.7	36.1	0	0	0	112.9	V235 I236 V416 L418 Y457	V235-P280 CarbonylContact C-O 3.56Å; V235-P280 WeakPolarHBondContact CA-O 3.39Å; I236-P280 PolarHBondContact N-O 3.22Å; P280-V416 HydrophobicContact CG-CB 4.48Å; P280-V416 HydrophobicContact CG-CG2 3.55Å; P280-L418 HydrophobicContact CB-CB 3.66Å; P280-L418 HydrophobicContact CB-CD2 3.93Å; P280-L418 HydrophobicContact CB-CG 4.38Å; P280-L418 HydrophobicContact CG-CB 4.24Å; P280-Y457 HydrophobicContact CG-CE2 3.87Å
281	I	96.5	Very high	91.7	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.026	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	143.3	-175.5	-69.7	152	0	0	0	110.5	I236 L263 A267 L283 L369 Y402 G403	I236-I281 HydrophobicContact CB-CG1 3.97Å; I236-I281 HydrophobicContact CG1-CG1 4.32Å; I236-I281 CarbonylContact O-C 3.55Å; I236-I281 WeakPolarHBondContact O-CA 3.29Å; L263-I281 HydrophobicContact CD1-CD1 4.37Å; L263-I281 HydrophobicContact CD1-CG1 4.13Å; L263-I281 HydrophobicContact CD1-CG2 3.7Å; L263-I281 HydrophobicContact CD2-CD1 4.34Å; L263-I281 HydrophobicContact CD2-CG2 3.79Å; L263-I281 HydrophobicContact CG-CD1 3.86Å; L263-I281 HydrophobicContact CG-CG1 4.17Å; L263-I281 HydrophobicContact CG-CG2 3.94Å; A267-I281 HydrophobicContact CB-CD1 3.67Å; A267-I281 HydrophobicContact CB-CG1 3.93Å; I281-L283 HydrophobicContact CG2-CB 4.45Å; I281-L369 HydrophobicContact CD1-CD1 4.14Å; I281-L369 HydrophobicContact CD1-CD2 3.45Å; I281-L369 VanDerWaalsContact CD1-CD2 3.45Å; I281-L369 HydrophobicContact CD1-CG 4.41Å; I281-Y402 WeakPolarHBondContact O-CA 3.35Å; I281-Y402 WeakPolarHBondContact O-CB 3.47Å; I281-G403 PolarHBondContact N-O 3.06Å; I281-G403 PolarHBondContact O-N 3.46Å; I281-G403 VanDerWaalsContact O-N 3.11Å
282	V	98.5	Very high	92.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.7	158.7	-175.4	0	0	0	0	108.1	V92 V235 I236 V237 A238 I400 F401 L418 F455	V92-V282 HydrophobicContact CG1-CG1 4.14Å; V92-V282 HydrophobicContact CG2-CG1 4.34Å; V235-V282 HydrophobicContact CG2-CG2 4.08Å; I236-V282 PolarHBondContact O-N 3.2Å; V237-V282 CarbonylContact C-O 3.58Å; V237-V282 VanDerWaalsContact CA-O 3.31Å; V237-V282 WeakPolarHBondContact CA-O 3.36Å; A238-V282 PolarHBondContact N-O 3.5Å; V282-I400 HydrophobicContact CG1-CG2 3.76Å; V282-F401 CarbonylContact C-O 3.48Å; V282-F401 WeakPolarHBondContact CA-O 3.46Å; V282-L418 HydrophobicContact CG2-CD2 3.66Å; V282-F455 HydrophobicContact CG1-CE2 4.39Å; V282-F455 HydrophobicContact CG1-CZ 4.37Å; V282-F455 HydrophobicContact CG2-CE2 4.39Å; V282-F455 HydrophobicContact CG2-CZ 4.33Å
283	L	98.7	Very high	93	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	109.3	177.2	167.6	61.7	0	0	0	109.1	A238 L259 I281 M287 L299 L371 I400 F401	A238-L283 HydrophobicContact CB-CD1 3.67Å; L259-L283 HydrophobicContact CD2-CD1 3.58Å; L259-L283 HydrophobicContact CG-CD1 4.42Å; I281-L283 HydrophobicContact CG2-CB 4.45Å; L283-M287 HydrophobicContact CD1-CE 3.93Å; L283-M287 HydrophobicContact CD2-CE 4.15Å; L283-M287 HydrophobicContact CG-CE 3.77Å; L283-L299 HydrophobicContact CD2-CD2 3.81Å; L283-L371 HydrophobicContact CD2-CD1 4.21Å; L283-I400 WeakPolarHBondContact O-CA 3.39Å; L283-F401 HydrophobicContact CB-CB 4.21Å; L283-F401 HydrophobicContact CD2-CD2 4.47Å; L283-F401 PolarHBondContact N-O 2.89Å; L283-F401 PolarHBondContact O-N 3.3Å
284	C	98.9	Very high	93.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	158.9	177.1	-64.8	0	0	0	0	110.8	V92 C140 A238 N239 T240 F399	V92-C284 VanDerWaalsContact CG1-SG 3.57Å; C140-C284 HydrophobicContact CB-CB 3.52Å; C140-C284 VanDerWaalsContact SG-CB 3.59Å; C140-C284 VanDerWaalsContact SG-SG 3.67Å; A238-C284 WeakPolarHBondContact O-CB 3.23Å; A238-C284 PolarHBondContact O-N 3.23Å; N239-C284 VanDerWaalsContact CA-O 3.31Å; N239-C284 WeakPolarHBondContact CA-O 3.43Å; T240-C284 PolarHBondContact N-O 3.32Å; C284-F399 WeakPolarHBondContact CA-O 3.38Å
285	G	98.6	Very high	94.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.9	170.6	165	0	0	0	0	0	113.9	T94 T240 M287 D398 F399	T94-G285 PolarHBondContact OG1-N 2.91Å; T240-G285 WeakPolarHBondContact O-CA 3.49Å; G285-M287 PolarHBondContact O-N 2.85Å; G285-D398 WeakPolarHBondContact O-CA 3.37Å; G285-F399 PolarHBondContact N-O 3.2Å; G285-F399 PolarHBondContact O-N 3.35Å
286	D	98.7	Very high	95.1	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.011	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	104.6	162.4	-175.9	-18.3	0	0	0	107.5	N96 Q142 T240 H241 L242 N288 H448	N96-D286 PolarHBondContact ND2-OD2 2.82Å; Q142-D286 HydrophobicContact CG-CB 4.36Å; T240-D286 PolarHBondContact O-N 3.12Å; T240-D286 VanDerWaalsContact O-N 3.12Å; H241-D286 WeakPolarHBondContact CA-O 3.46Å; H241-D286 IonicContact CD2-OD2 3.89Å; H241-D286 IonicContact NE2-OD2 3.26Å; L242-D286 PolarHBondContact N-O 3.43Å; D286-N288 VanDerWaalsContact C-N 3.29Å; D286-N288 PolarHBondContact OD1-N 2.95Å; D286-N288 PolarHBondContact OD1-ND2 2.91Å; D286-N288 PolarHBondContact OD1-OD1 2.85Å; D286-H448 IonicContact OD2-CE1 3.86Å; D286-H448 PolarHBondContact OD2-CE1 2.82Å; D286-H448 VanDerWaalsContact OD2-CE1 3.27Å; D286-H448 IonicContact OD2-NE2 2.66Å
287	M	98.4	Very high	95.7	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	8%	0.08	C	C	.	.			trans	-84.2	-9.5	-178.1	-58.9	-63.7	173.4	0	0	111.8	T240 L242 L283 G285 C289 V397 F399 F401	T240-M287 HydrophobicContact CG2-CE 4.01Å; T240-M287 HydrophobicContact CG2-SD 3.76Å; L242-M287 HydrophobicContact CD1-CB 4.4Å; L242-M287 HydrophobicContact CD1-SD 4.11Å; L242-M287 HydrophobicContact CG-SD 4.45Å; L283-M287 HydrophobicContact CD1-CE 3.93Å; L283-M287 HydrophobicContact CD2-CE 4.15Å; L283-M287 HydrophobicContact CG-CE 3.77Å; G285-M287 PolarHBondContact O-N 2.85Å; M287-C289 VanDerWaalsContact CB-SG 3.59Å; M287-C289 PolarHBondContact O-N 3.15Å; M287-C289 VanDerWaalsContact O-N 3.11Å; M287-V397 PolarHBondContact N-O 3.42Å; M287-F399 HydrophobicContact CB-CD2 3.76Å; M287-F399 HydrophobicContact CB-CE2 4.02Å; M287-F399 HydrophobicContact CG-CB 4.33Å; M287-F399 HydrophobicContact CG-CD2 3.51Å; M287-F399 HydrophobicContact CG-CE2 4.26Å; M287-F399 HydrophobicContact CG-CG 4.31Å; M287-F401 HydrophobicContact CE-CD2 4.32Å; M287-F401 HydrophobicContact CE-CE2 4.44Å
288	N	98	Very high	96.3	Very high	7 Å²	7	12.6 Å²	12.6	4%	0.037	8%	0.077	C	C	.	.			trans	44.9	43.8	-174.8	-84.5	-63.2	0	0	0	111.6	H241 L242 L243 K252 D286 L317	H241-N288 PolarHBondContact CD2-ND2 3.19Å; H241-N288 PolarHBondContact NE2-ND2 3.13Å; L242-N288 PolarHBondContact O-ND2 3.01Å; L243-N288 VanDerWaalsContact O-CB 3.3Å; L243-N288 WeakPolarHBondContact O-CB 3.46Å; K252-N288 PolarHBondContact NZ-O 3.03Å; D286-N288 VanDerWaalsContact C-N 3.29Å; D286-N288 PolarHBondContact OD1-N 2.95Å; D286-N288 PolarHBondContact OD1-ND2 2.91Å; D286-N288 PolarHBondContact OD1-OD1 2.85Å; N288-L317 VanDerWaalsContact C-CD1 3.49Å; N288-L317 WeakPolarHBondContact O-CD1 3.38Å
289	C	97.2	Very high	96.6	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.007	7%	0.072	C	C	.	.	S	Bend	trans	-145.4	160	175.6	72.9	0	0	0	0	110.8	M287 M295 S315 F399	M287-C289 VanDerWaalsContact CB-SG 3.59Å; M287-C289 PolarHBondContact O-N 3.15Å; M287-C289 VanDerWaalsContact O-N 3.11Å; C289-M295 HydrophobicContact CB-CB 4.18Å; C289-M295 HydrophobicContact CB-CE 4.35Å; C289-M295 HydrophobicContact CB-SD 4.03Å; C289-S315 CarbonylContact C-O 3.53Å; C289-S315 WeakPolarHBondContact CA-O 3.28Å; C289-S315 WeakPolarHBondContact CB-O 3.44Å; C289-F399 WeakPolarHBondContact O-CE2 3.41Å
290	T	95.5	Very high	96.7	Very high	7 Å²	7	14.4 Å²	14.4	4%	0.043	9%	0.088	C	C	.	.			trans	-88.6	158.8	179.2	72.4	0	0	0	0	111.6	V292 S293 C296 S315 L317 E395	T290-V292 PolarHBondContact O-N 3.26Å; T290-S293 WeakPolarHBondContact O-CB 3.46Å; T290-S293 PolarHBondContact O-N 3.42Å; T290-S293 PolarHBondContact O-OG 3.15Å; T290-S293 PolarHBondContact OG1-N 2.84Å; T290-C296 WeakPolarHBondContact O-CB 3.11Å; T290-S315 PolarHBondContact N-O 3.43Å; T290-L317 HydrophobicContact CG2-CD2 3.83Å; T290-L317 HydrophobicContact CG2-CG 4.05Å; T290-E395 HydrophobicContact CG2-CG 3.95Å; T290-E395 WeakPolarHBondContact CG2-OE2 3.24Å
291	P	94.4	Very high	96.7	Very high	22 Å²	22	17.7 Å²	17.7	14%	0.143	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.4	177.4	-27.6	36.2	0	0	0	114.9	C296 L377 L396 F399	P291-C296 WeakPolarHBondContact O-CB 3.15Å; P291-C296 PolarHBondContact O-SG 3.26Å; P291-L377 HydrophobicContact CB-CB 4.02Å; P291-L377 HydrophobicContact CB-CD2 4.08Å; P291-L377 HydrophobicContact CB-CG 4.43Å; P291-L377 HydrophobicContact CG-CD2 4.45Å; P291-L396 HydrophobicContact CG-CB 4.13Å; P291-L396 HydrophobicContact CG-CD2 3.71Å; P291-L396 HydrophobicContact CG-CG 4.02Å; P291-F399 HydrophobicContact CB-CE1 4.41Å; P291-F399 HydrophobicContact CG-CE1 4.05Å; P291-F399 HydrophobicContact CG-CZ 4.11Å
292	V	92	Very high	96.7	Very high	103 Å²	103	17.9 Å²	17.9	62%	0.624	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	6.5	-179.8	-61.5	0	0	0	0	113	T290	T290-V292 PolarHBondContact O-N 3.26Å
293	S	95.8	Very high	96.6	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.007	13%	0.133	C	C	.	.	S	Bend	trans	-74.2	151.9	-177.4	68.5	0	0	0	0	112.7	T290 M295 C296 T297 S315	T290-S293 WeakPolarHBondContact O-CB 3.46Å; T290-S293 PolarHBondContact O-N 3.42Å; T290-S293 PolarHBondContact O-OG 3.15Å; T290-S293 PolarHBondContact OG1-N 2.84Å; S293-M295 PolarHBondContact O-N 3.25Å; S293-M295 VanDerWaalsContact O-N 3.14Å; S293-C296 PolarHBondContact O-N 2.78Å; S293-C296 PolarHBondContact OG-N 3.4Å; S293-T297 PolarHBondContact O-N 2.79Å; S293-T297 PolarHBondContact O-OG1 3.4Å; S293-S315 WeakPolarHBondContact CB-O 3.38Å
294	P	97.3	Very high	96.5	Very high	26 Å²	26	23.3 Å²	23.3	17%	0.169	14%	0.135	C	C	.	.	H	α-helix	trans	-50.9	-33.9	168.9	-30.2	36.1	0	0	0	114	F298 L304 M309 S313 I314	P294-F298 VanDerWaalsContact O-CB 3.32Å; P294-F298 WeakPolarHBondContact O-CB 3.41Å; P294-F298 PolarHBondContact O-N 2.94Å; P294-L304 HydrophobicContact CB-CD1 3.89Å; P294-L304 HydrophobicContact CB-CD2 4.37Å; P294-M309 HydrophobicContact CB-SD 4.19Å; P294-M309 HydrophobicContact CG-SD 4.33Å; P294-S313 WeakPolarHBondContact CD-O 3.47Å; P294-I314 HydrophobicContact CB-CD1 4.33Å; P294-I314 WeakPolarHBondContact CD-O 3.32Å
295	M	97.4	Very high	96.4	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-64.4	-43.1	174.1	-76	176.8	66.9	0	0	113.2	L242 K252 L253 L256 C289 S293 F298 L299 I314	L242-M295 HydrophobicContact CD1-CE 3.54Å; K252-M295 HydrophobicContact CB-CE 3.66Å; K252-M295 HydrophobicContact CB-SD 3.66Å; K252-M295 HydrophobicContact CD-SD 4.2Å; L253-M295 HydrophobicContact CD1-CG 4.37Å; L256-M295 HydrophobicContact CD2-CE 4.26Å; C289-M295 HydrophobicContact CB-CB 4.18Å; C289-M295 HydrophobicContact CB-CE 4.35Å; C289-M295 HydrophobicContact CB-SD 4.03Å; S293-M295 PolarHBondContact O-N 3.25Å; S293-M295 VanDerWaalsContact O-N 3.14Å; M295-F298 WeakPolarHBondContact O-CB 3.41Å; M295-F298 PolarHBondContact O-N 3Å; M295-L299 PolarHBondContact O-N 3.31Å; M295-L299 VanDerWaalsContact O-N 3.16Å; M295-I314 HydrophobicContact CG-CG2 3.59Å; M295-I314 WeakPolarHBondContact CG-O 3.47Å; M295-I314 PolarHBondContact N-O 3.16Å; M295-I314 HydrophobicContact SD-CG2 4.03Å
296	C	96.5	Very high	96.2	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	16%	0.161	C	C	.	.	H	α-helix	trans	-70.6	-40.4	178.6	-165.3	0	0	0	0	111.4	T290 P291 S293 F298 L299 T300 L377	T290-C296 WeakPolarHBondContact O-CB 3.11Å; P291-C296 WeakPolarHBondContact O-CB 3.15Å; P291-C296 PolarHBondContact O-SG 3.26Å; S293-C296 PolarHBondContact O-N 2.78Å; S293-C296 PolarHBondContact OG-N 3.4Å; C296-F298 VanDerWaalsContact C-N 3.31Å; C296-F298 PolarHBondContact O-N 3.43Å; C296-L299 PolarHBondContact O-N 2.91Å; C296-T300 PolarHBondContact O-N 3Å; C296-T300 PolarHBondContact O-OG1 3.15Å; C296-T300 VanDerWaalsContact O-OG1 3.12Å; C296-L377 WeakPolarHBondContact SG-CD1 3.35Å
297	T	95.9	Very high	96	Very high	68 Å²	68	31 Å²	31	42%	0.417	18%	0.179	S	C	.	.	H	α-helix	trans	-56	-47.6	169.8	-60.1	0	0	0	0	110.7	S293 L299 T300 S301	S293-T297 PolarHBondContact O-N 2.79Å; S293-T297 PolarHBondContact O-OG1 3.4Å; T297-L299 VanDerWaalsContact C-N 3.33Å; T297-L299 PolarHBondContact O-N 3.49Å; T297-T300 PolarHBondContact O-N 3.23Å; T297-T300 PolarHBondContact O-OG1 2.91Å; T297-S301 VanDerWaalsContact O-CB 3.27Å; T297-S301 WeakPolarHBondContact O-CB 3.24Å; T297-S301 PolarHBondContact O-N 3.39Å; T297-S301 PolarHBondContact O-OG 2.93Å
298	F	97.8	Very high	95.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-56	-45.6	178.8	178.3	-136	0	0	0	112.8	L253 L256 L260 P294 M295 C296 T300 G302 L304 L365 H367	L253-F298 HydrophobicContact CD1-CD1 3.84Å; L253-F298 HydrophobicContact CD1-CE1 4.24Å; L256-F298 HydrophobicContact CD2-CD1 3.93Å; L256-F298 HydrophobicContact CD2-CE1 4.41Å; L260-F298 HydrophobicContact CD1-CD1 4.47Å; L260-F298 HydrophobicContact CD1-CE1 3.68Å; L260-F298 HydrophobicContact CD1-CZ 4.06Å; P294-F298 VanDerWaalsContact O-CB 3.32Å; P294-F298 WeakPolarHBondContact O-CB 3.41Å; P294-F298 PolarHBondContact O-N 2.94Å; M295-F298 WeakPolarHBondContact O-CB 3.41Å; M295-F298 PolarHBondContact O-N 3Å; C296-F298 VanDerWaalsContact C-N 3.31Å; C296-F298 PolarHBondContact O-N 3.43Å; F298-T300 VanDerWaalsContact C-N 3.34Å; F298-T300 PolarHBondContact O-N 3.48Å; F298-G302 WeakPolarHBondContact O-CA 3.21Å; F298-G302 PolarHBondContact O-N 3.44Å; F298-L304 HydrophobicContact CB-CB 3.87Å; F298-L304 HydrophobicContact CB-CD2 4.24Å; F298-L304 HydrophobicContact CD2-CB 3.7Å; F298-L304 HydrophobicContact CG-CB 3.93Å; F298-L365 HydrophobicContact CD2-CB 4.38Å; F298-L365 HydrophobicContact CE1-CB 4.41Å; F298-L365 HydrophobicContact CE1-CD1 4.43Å; F298-L365 HydrophobicContact CE2-CB 3.72Å; F298-L365 HydrophobicContact CZ-CB 3.73Å; F298-H367 AromaticContact CE2-CD2 3.67Å; F298-H367 AromaticContact CZ-CD2 3.69Å; F298-H367 PolarHBondContact O-NE2 3.21Å
299	L	96.6	Very high	95.6	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-59.2	-42.9	178.6	-78.9	166.9	0	0	0	112.8	L256 L260 L283 M295 C296 T297 H367 L371 F401	L256-L299 HydrophobicContact CD1-CD1 4.4Å; L256-L299 HydrophobicContact CD1-CD2 3.79Å; L256-L299 HydrophobicContact CD1-CG 4.35Å; L256-L299 HydrophobicContact CD2-CD1 4.3Å; L256-L299 HydrophobicContact CD2-CD2 4.18Å; L256-L299 HydrophobicContact CD2-CG 3.98Å; L256-L299 HydrophobicContact CG-CD2 4.34Å; L260-L299 HydrophobicContact CD2-CD2 4.07Å; L283-L299 HydrophobicContact CD2-CD2 3.81Å; M295-L299 PolarHBondContact O-N 3.31Å; M295-L299 VanDerWaalsContact O-N 3.16Å; C296-L299 PolarHBondContact O-N 2.91Å; T297-L299 VanDerWaalsContact C-N 3.33Å; T297-L299 PolarHBondContact O-N 3.49Å; L299-H367 PolarHBondContact O-CE1 3.07Å; L299-H367 VanDerWaalsContact O-CE1 3.23Å; L299-H367 PolarHBondContact O-NE2 2.91Å; L299-L371 HydrophobicContact CD2-CD1 3.97Å; L299-L371 WeakPolarHBondContact O-CB 2.82Å; L299-F401 HydrophobicContact CB-CE1 4.47Å; L299-F401 HydrophobicContact CB-CZ 4.5Å; L299-F401 HydrophobicContact CD1-CD2 4.06Å; L299-F401 HydrophobicContact CD1-CE2 3.54Å; L299-F401 HydrophobicContact CD1-CZ 3.88Å
300	T	94.6	Very high	95.6	Very high	57 Å²	57	45.4 Å²	45.4	35%	0.35	25%	0.246	S	C	.	.	H	α-helix	trans	-87.6	-37.8	-172.6	54.8	0	0	0	0	113	C296 T297 F298 L371 F401	C296-T300 PolarHBondContact O-N 3Å; C296-T300 PolarHBondContact O-OG1 3.15Å; C296-T300 VanDerWaalsContact O-OG1 3.12Å; T297-T300 PolarHBondContact O-N 3.23Å; T297-T300 PolarHBondContact O-OG1 2.91Å; F298-T300 VanDerWaalsContact C-N 3.34Å; F298-T300 PolarHBondContact O-N 3.48Å; T300-L371 WeakPolarHBondContact CA-O 3.36Å; T300-F401 HydrophobicContact CG2-CD1 4.24Å; T300-F401 HydrophobicContact CG2-CE1 3.8Å
301	S	94.7	Very high	95.7	Very high	69 Å²	69	47.9 Å²	47.9	48%	0.483	26%	0.255	S	S	.	.	H	α-helix	trans	-82	-21.4	179.2	75	0	0	0	0	113.2	T297 R303	T297-S301 VanDerWaalsContact O-CB 3.27Å; T297-S301 WeakPolarHBondContact O-CB 3.24Å; T297-S301 PolarHBondContact O-N 3.39Å; T297-S301 PolarHBondContact O-OG 2.93Å; S301-R303 PolarHBondContact O-N 3.29Å; S301-R303 PolarHBondContact OG-N 3.34Å; S301-R303 PolarHBondContact OG-O 3.03Å
302	G	95.2	Very high	95.9	Very high	8 Å²	8	47.3 Å²	47.3	8%	0.082	25%	0.25	C	S	.	.	S	Bend	trans	71.6	6.7	-171.3	0	0	0	0	0	114.5	F298 A366 H367	F298-G302 WeakPolarHBondContact O-CA 3.21Å; F298-G302 PolarHBondContact O-N 3.44Å; G302-A366 CarbonylContact O-C 3.55Å; G302-A366 WeakPolarHBondContact O-CA 3.48Å; G302-A366 WeakPolarHBondContact O-CB 3.36Å; G302-H367 VanDerWaalsContact CA-CE1 3.5Å; G302-H367 WeakPolarHBondContact CA-CE1 3.47Å; G302-H367 PolarHBondContact O-N 3.15Å
303	R	96.3	Very high	96.2	Very high	106 Å²	106	44.6 Å²	44.6	40%	0.4	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	137.7	-178.2	-172.3	-179.5	172.4	90.3	1.8	112.4	S301 E305 S361 T364 L365	S301-R303 PolarHBondContact O-N 3.29Å; S301-R303 PolarHBondContact OG-N 3.34Å; S301-R303 PolarHBondContact OG-O 3.03Å; R303-E305 IonicContact CZ-OE1 3.76Å; R303-E305 IonicContact NE-OE1 2.86Å; R303-E305 PolarHBondContact NE-OE1 3.28Å; R303-E305 IonicContact NH2-OE1 3.79Å; R303-E305 PolarHBondContact NH2-OE1 3.12Å; R303-S361 PolarHBondContact NH2-OG 3.45Å; R303-T364 HydrophobicContact CG-CG2 4.2Å; R303-T364 VanDerWaalsContact CZ-CG2 3.42Å; R303-L365 CarbonylContact C-O 3.54Å; R303-L365 WeakPolarHBondContact CA-O 3.41Å
304	L	97.2	Very high	96.3	Very high	9 Å²	9	44.5 Å²	44.5	5%	0.047	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	117.9	173.5	178.2	65.9	0	0	0	110.6	L253 P294 F298 Y306 M309 T364 L365	L253-L304 HydrophobicContact CD1-CD2 4.06Å; L253-L304 HydrophobicContact CD2-CD2 3.85Å; P294-L304 HydrophobicContact CB-CD1 3.89Å; P294-L304 HydrophobicContact CB-CD2 4.37Å; F298-L304 HydrophobicContact CB-CB 3.87Å; F298-L304 HydrophobicContact CB-CD2 4.24Å; F298-L304 HydrophobicContact CD2-CB 3.7Å; F298-L304 HydrophobicContact CG-CB 3.93Å; L304-Y306 PolarHBondContact O-N 3.29Å; L304-M309 HydrophobicContact CD1-CE 3.87Å; L304-M309 HydrophobicContact CD1-SD 4.02Å; L304-T364 CarbonylContact O-C 3.57Å; L304-T364 WeakPolarHBondContact O-CA 3.5Å; L304-L365 HydrophobicContact CB-CB 4.47Å; L304-L365 PolarHBondContact N-O 3.12Å; L304-L365 PolarHBondContact O-N 3.04Å
305	E	96.2	Very high	96.3	Very high	115 Å²	115	43.3 Å²	43.3	54%	0.537	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	102.4	168	-62.8	-174.6	175.4	0	0	107.8	R303 M309 G363 T364	R303-E305 IonicContact CZ-OE1 3.76Å; R303-E305 IonicContact NE-OE1 2.86Å; R303-E305 PolarHBondContact NE-OE1 3.28Å; R303-E305 IonicContact NH2-OE1 3.79Å; R303-E305 PolarHBondContact NH2-OE1 3.12Å; E305-M309 WeakPolarHBondContact O-CE 3.27Å; E305-G363 CarbonylContact C-O 3.56Å; E305-T364 HydrophobicContact CG-CG2 4.45Å
306	Y	95.6	Very high	96.2	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	25%	0.246	C	C	.	.			trans	-101.8	-1.1	-173	72.8	-98.8	0	0	0	112.9	L304 N308 M309 L325 S326 Y327 I329 E338 G363 L365	L304-Y306 PolarHBondContact O-N 3.29Å; Y306-N308 PolarHBondContact O-N 3.14Å; Y306-M309 WeakPolarHBondContact O-CB 3.47Å; Y306-M309 PolarHBondContact O-N 2.95Å; Y306-L325 HydrophobicContact CD2-CB 3.85Å; Y306-L325 HydrophobicContact CD2-CD1 3.79Å; Y306-L325 HydrophobicContact CE2-CB 4.28Å; Y306-L325 HydrophobicContact CG-CD1 4.16Å; Y306-S326 WeakPolarHBondContact CE2-O 3.3Å; Y306-Y327 WeakPolarHBondContact OH-CD2 3.07Å; Y306-I329 HydrophobicContact CE1-CG2 4.04Å; Y306-I329 HydrophobicContact CE2-CB 4.02Å; Y306-I329 HydrophobicContact CE2-CG2 4.32Å; Y306-I329 WeakPolarHBondContact OH-CB 3.31Å; Y306-I329 WeakPolarHBondContact OH-CG2 3.15Å; Y306-I329 PolarHBondContact OH-N 3.26Å; Y306-E338 PolarHBondContact OH-OE1 3.28Å; Y306-E338 PolarHBondContact OH-OE2 2.87Å; Y306-E338 VanDerWaalsContact OH-OE2 3.05Å; Y306-G363 VanDerWaalsContact CD1-O 3.27Å; Y306-G363 WeakPolarHBondContact CD1-O 3.35Å; Y306-G363 PolarHBondContact N-O 3.45Å; Y306-L365 HydrophobicContact CD1-CD1 4.17Å; Y306-L365 HydrophobicContact CD1-CG 3.82Å; Y306-L365 HydrophobicContact CE1-CD1 4.36Å; Y306-L365 HydrophobicContact CE1-CD2 4.31Å; Y306-L365 HydrophobicContact CE1-CG 3.74Å
307	A	93.3	Very high	96.1	Very high	48 Å²	48	47.5 Å²	47.5	40%	0.397	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	130.7	170.9	0	0	0	0	0	110.3	M309 A362 G363	A307-M309 PolarHBondContact O-N 3.47Å; A307-M309 VanDerWaalsContact O-N 3.1Å; A307-A362 WeakPolarHBondContact CB-O 3.41Å; A307-G363 PolarHBondContact N-O 3.34Å
308	N	92.4	Very high	96	Very high	134 Å²	134	45.1 Å²	45.1	72%	0.717	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	11.9	-178.6	-48.9	-53.9	0	0	0	115.5	Y306 L324	Y306-N308 PolarHBondContact O-N 3.14Å; N308-L324 WeakPolarHBondContact O-CD2 3.29Å
309	M	96.4	Very high	95.8	Very high	53 Å²	53	47.7 Å²	47.7	26%	0.261	26%	0.264	S	S	.	.			trans	-77.7	139.7	171.1	-70	-169.3	167.7	0	0	111.3	P294 L304 E305 Y306 A307 I314 L324 L325	P294-M309 HydrophobicContact CB-SD 4.19Å; P294-M309 HydrophobicContact CG-SD 4.33Å; L304-M309 HydrophobicContact CD1-CE 3.87Å; L304-M309 HydrophobicContact CD1-SD 4.02Å; E305-M309 WeakPolarHBondContact O-CE 3.27Å; Y306-M309 WeakPolarHBondContact O-CB 3.47Å; Y306-M309 PolarHBondContact O-N 2.95Å; A307-M309 PolarHBondContact O-N 3.47Å; A307-M309 VanDerWaalsContact O-N 3.1Å; M309-I314 HydrophobicContact CB-CD1 3.84Å; M309-I314 HydrophobicContact CG-CD1 4.48Å; M309-I314 HydrophobicContact SD-CD1 3.81Å; M309-L324 WeakPolarHBondContact O-CA 3.35Å; M309-L325 HydrophobicContact CB-CD1 4.34Å; M309-L325 PolarHBondContact O-N 3.36Å
310	W	97.6	Very high	95.6	Very high	123 Å²	123	53.7 Å²	53.7	47%	0.466	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-75.5	132.5	173.5	-61.8	114.9	0	0	0	111.2	N312 S313 G321 G322 L324	W310-N312 PolarHBondContact O-N 2.82Å; W310-N312 VanDerWaalsContact O-N 3.1Å; W310-S313 PolarHBondContact O-N 3.47Å; W310-S313 VanDerWaalsContact O-N 3.09Å; W310-S313 PolarHBondContact O-OG 2.65Å; W310-G321 WeakPolarHBondContact CB-O 3.21Å; W310-G322 WeakPolarHBondContact CZ3-O 3.43Å; W310-L324 HydrophobicContact CD2-CD2 3.74Å; W310-L324 HydrophobicContact CE3-CD2 3.4Å; W310-L324 HydrophobicContact CE3-CG 3.9Å; W310-L324 HydrophobicContact CG-CD2 4.49Å; W310-L324 HydrophobicContact CH2-CD2 3.98Å; W310-L324 HydrophobicContact CH2-CG 4.24Å; W310-L324 HydrophobicContact CZ2-CD2 4.24Å; W310-L324 HydrophobicContact CZ3-CD2 3.55Å; W310-L324 HydrophobicContact CZ3-CG 3.67Å
311	R	97.6	Very high	95.6	Very high	60 Å²	60	51.7 Å²	51.7	23%	0.226	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-38.3	-177.7	-177.9	-177.1	71.8	-164.9	-1	114	R247 G249 D250 P323 L325	R247-R311 WeakPolarHBondContact O-CD 3.44Å; R247-R311 PolarHBondContact O-NE 3.47Å; G249-R311 WeakPolarHBondContact CA-O 3.39Å; G249-R311 PolarHBondContact N-O 3.01Å; D250-R311 HydrophobicContact CB-CG 3.87Å; D250-R311 VanDerWaalsContact OD1-CD 3.3Å; D250-R311 WeakPolarHBondContact OD1-CD 3.16Å; R311-P323 VanDerWaalsContact CB-O 3.25Å; R311-P323 WeakPolarHBondContact CB-O 3.19Å; R311-P323 VanDerWaalsContact CZ-CD 3.43Å; R311-P323 PolarHBondContact N-O 3.08Å; R311-L325 HydrophobicContact CB-CD2 4.1Å; R311-L325 HydrophobicContact CG-CD2 4.23Å
312	N	98	Very high	95.6	Very high	10 Å²	10	50.1 Å²	50.1	5%	0.053	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-22.3	-174.6	-55.6	-11.1	0	0	0	112.6	R247 W310 G318 P319 G321	R247-N312 PolarHBondContact O-OD1 2.91Å; R247-N312 VanDerWaalsContact O-OD1 3.04Å; W310-N312 PolarHBondContact O-N 2.82Å; W310-N312 VanDerWaalsContact O-N 3.1Å; N312-G318 VanDerWaalsContact O-CA 3.3Å; N312-G318 WeakPolarHBondContact O-CA 3.25Å; N312-G318 PolarHBondContact O-N 3.31Å; N312-P319 WeakPolarHBondContact CB-O 3.46Å; N312-P319 PolarHBondContact ND2-O 3.43Å; N312-G321 WeakPolarHBondContact CB-O 3.19Å; N312-G321 PolarHBondContact N-O 2.82Å; N312-G321 PolarHBondContact ND2-O 2.99Å
313	S	97	Very high	95.6	Very high	45 Å²	45	52.8 Å²	52.8	32%	0.315	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-19	-179.2	65.5	0	0	0	0	113.3	P294 W310 S315 G316	P294-S313 WeakPolarHBondContact CD-O 3.47Å; W310-S313 PolarHBondContact O-N 3.47Å; W310-S313 VanDerWaalsContact O-N 3.09Å; W310-S313 PolarHBondContact O-OG 2.65Å; S313-S315 VanDerWaalsContact C-N 3.25Å; S313-S315 PolarHBondContact O-N 3.47Å; S313-S315 VanDerWaalsContact O-N 3.16Å; S313-G316 PolarHBondContact O-N 3.36Å
314	I	97.8	Very high	95.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-36.4	-173.2	-62	-59.2	0	0	0	113.6	L253 P294 M295 M309 L325	L253-I314 HydrophobicContact CB-CG2 4.23Å; L253-I314 HydrophobicContact CD2-CG2 4.18Å; P294-I314 HydrophobicContact CB-CD1 4.33Å; P294-I314 WeakPolarHBondContact CD-O 3.32Å; M295-I314 HydrophobicContact CG-CG2 3.59Å; M295-I314 WeakPolarHBondContact CG-O 3.47Å; M295-I314 PolarHBondContact N-O 3.16Å; M295-I314 HydrophobicContact SD-CG2 4.03Å; M309-I314 HydrophobicContact CB-CD1 3.84Å; M309-I314 HydrophobicContact CG-CD1 4.48Å; M309-I314 HydrophobicContact SD-CD1 3.81Å; I314-L325 HydrophobicContact CD1-CD1 3.51Å; I314-L325 HydrophobicContact CD1-CG 4.39Å; I314-L325 HydrophobicContact CG1-CD1 3.84Å; I314-L325 HydrophobicContact CG1-CD2 4.39Å; I314-L325 HydrophobicContact CG1-CG 4.36Å
315	S	97.3	Very high	95.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-9.6	178	68.4	0	0	0	0	113.9	C289 T290 S293 S313 L317	C289-S315 CarbonylContact C-O 3.53Å; C289-S315 WeakPolarHBondContact CA-O 3.28Å; C289-S315 WeakPolarHBondContact CB-O 3.44Å; T290-S315 PolarHBondContact N-O 3.43Å; S293-S315 WeakPolarHBondContact CB-O 3.38Å; S313-S315 VanDerWaalsContact C-N 3.25Å; S313-S315 PolarHBondContact O-N 3.47Å; S313-S315 VanDerWaalsContact O-N 3.16Å; S315-L317 PolarHBondContact O-N 2.97Å; S315-L317 VanDerWaalsContact O-N 3.14Å; S315-L317 PolarHBondContact OG-N 3.2Å
316	G	95.6	Very high	95.4	Very high	39 Å²	39	50 Å²	50	40%	0.402	30%	0.303	S	S	.	.	S	Bend	trans	69.6	-4.4	-172	0	0	0	0	0	115.4	S313	S313-G316 PolarHBondContact O-N 3.36Å
317	L	94.6	Very high	95.1	Very high	52 Å²	52	55.9 Å²	55.9	27%	0.272	33%	0.326	S	S	.	.	S	Bend	trans	-96.5	-19.6	178.4	-68	173.6	0	0	0	113.5	P246 N288 T290 S315 E395 V397	P246-L317 HydrophobicContact CB-CB 3.64Å; P246-L317 WeakPolarHBondContact CB-O 3.47Å; N288-L317 VanDerWaalsContact C-CD1 3.49Å; N288-L317 WeakPolarHBondContact O-CD1 3.38Å; T290-L317 HydrophobicContact CG2-CD2 3.83Å; T290-L317 HydrophobicContact CG2-CG 4.05Å; S315-L317 PolarHBondContact O-N 2.97Å; S315-L317 VanDerWaalsContact O-N 3.14Å; S315-L317 PolarHBondContact OG-N 3.2Å; L317-E395 HydrophobicContact CD2-CB 4.35Å; L317-E395 HydrophobicContact CD2-CG 3.75Å; L317-V397 HydrophobicContact CD1-CG1 4.34Å
318	G	93.2	Very high	95.2	Very high	17 Å²	17	57.1 Å²	57.1	18%	0.175	33%	0.33	C	S	.	.	S	Bend	trans	-80.5	156.5	-174.1	0	0	0	0	0	112.9	P246 N312	P246-G318 WeakPolarHBondContact O-CA 3.41Å; N312-G318 VanDerWaalsContact O-CA 3.3Å; N312-G318 WeakPolarHBondContact O-CA 3.25Å; N312-G318 PolarHBondContact O-N 3.31Å
319	P	94.7	Very high	95.3	Very high	54 Å²	54	50.7 Å²	50.7	35%	0.351	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-63.4	151.1	170	29.8	-34.9	0	0	0	110.1	R247 N312 G321	R247-P319 HydrophobicContact CG-CG 4.3Å; N312-P319 WeakPolarHBondContact CB-O 3.46Å; N312-P319 PolarHBondContact ND2-O 3.43Å; P319-G321 PolarHBondContact O-N 3.4Å
320	V	91.9	Very high	95.4	Very high	128 Å²	128	48.5 Å²	48.5	78%	0.776	29%	0.285	S	S	*	.	S	Bend	trans	-52.9	137.1	177.5	-179.6	0	0	0	0	111.1
321	G	94	Very high	95.3	Very high	14 Å²	14	43.2 Å²	43.2	14%	0.144	27%	0.266	C	S	.	.			trans	90.1	-142.6	177.3	0	0	0	0	0	114.7	W310 N312 P319	W310-G321 WeakPolarHBondContact CB-O 3.21Å; N312-G321 WeakPolarHBondContact CB-O 3.19Å; N312-G321 PolarHBondContact N-O 2.82Å; N312-G321 PolarHBondContact ND2-O 2.99Å; P319-G321 PolarHBondContact O-N 3.4Å
322	G	95.2	Very high	95.1	Very high	36 Å²	36	45.3 Å²	45.3	37%	0.371	29%	0.288	S	S	.	.			trans	96.5	-172.6	-166.4	0	0	0	0	0	111.8	W310	W310-G322 WeakPolarHBondContact CZ3-O 3.43Å
323	P	96.3	Very high	95	Very high	65 Å²	65	50.5 Å²	50.5	42%	0.422	32%	0.32	S	S	.	.	S	Bend	trans	-68.1	152.6	172.8	-21	34.9	0	0	0	111.6	R311	R311-P323 VanDerWaalsContact CB-O 3.25Å; R311-P323 WeakPolarHBondContact CB-O 3.19Å; R311-P323 VanDerWaalsContact CZ-CD 3.43Å; R311-P323 PolarHBondContact N-O 3.08Å
324	L	96.6	Very high	94.9	Very high	85 Å²	85	49.9 Å²	49.9	45%	0.445	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-66.3	149.1	165.9	-64.9	176.5	0	0	0	110.1	N308 M309 W310	N308-L324 WeakPolarHBondContact O-CD2 3.29Å; M309-L324 WeakPolarHBondContact O-CA 3.35Å; W310-L324 HydrophobicContact CD2-CD2 3.74Å; W310-L324 HydrophobicContact CE3-CD2 3.4Å; W310-L324 HydrophobicContact CE3-CG 3.9Å; W310-L324 HydrophobicContact CG-CD2 4.49Å; W310-L324 HydrophobicContact CH2-CD2 3.98Å; W310-L324 HydrophobicContact CH2-CG 4.24Å; W310-L324 HydrophobicContact CZ2-CD2 4.24Å; W310-L324 HydrophobicContact CZ3-CD2 3.55Å; W310-L324 HydrophobicContact CZ3-CG 3.67Å
325	L	95.8	Very high	94.9	Very high	19 Å²	19	51.1 Å²	51.1	10%	0.099	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-64.5	139.7	173	-68.7	-178.8	0	0	0	111.4	D250 L253 Y306 M309 R311 I314 I329	D250-L325 HydrophobicContact CB-CD2 3.69Å; L253-L325 HydrophobicContact CD2-CD1 4.32Å; Y306-L325 HydrophobicContact CD2-CB 3.85Å; Y306-L325 HydrophobicContact CD2-CD1 3.79Å; Y306-L325 HydrophobicContact CE2-CB 4.28Å; Y306-L325 HydrophobicContact CG-CD1 4.16Å; M309-L325 HydrophobicContact CB-CD1 4.34Å; M309-L325 PolarHBondContact O-N 3.36Å; R311-L325 HydrophobicContact CB-CD2 4.1Å; R311-L325 HydrophobicContact CG-CD2 4.23Å; I314-L325 HydrophobicContact CD1-CD1 3.51Å; I314-L325 HydrophobicContact CD1-CG 4.39Å; I314-L325 HydrophobicContact CG1-CD1 3.84Å; I314-L325 HydrophobicContact CG1-CD2 4.39Å; I314-L325 HydrophobicContact CG1-CG 4.36Å; L325-I329 HydrophobicContact CD1-CD1 4.03Å; L325-I329 HydrophobicContact CD2-CD1 3.93Å; L325-I329 HydrophobicContact CG-CD1 4.41Å
326	S	92.9	Very high	94.9	Very high	66 Å²	66	51.5 Å²	51.5	46%	0.462	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-76.3	149.8	173.3	58.9	0	0	0	0	111.5	Y306 P328 I329	Y306-S326 WeakPolarHBondContact CE2-O 3.3Å; S326-P328 CarbonylContact O-C 3.42Å; S326-I329 WeakPolarHBondContact O-CA 2.93Å; S326-I329 PolarHBondContact O-N 3.29Å
327	Y	89.8	Confident	94.9	Very high	126 Å²	126	51.5 Å²	51.5	49%	0.494	32%	0.323	S	S	.	.	S	Bend	trans	-121.7	130.2	170.3	172	-100.9	0	0	0	110.3	Y306 E338 A362 G363	Y306-Y327 WeakPolarHBondContact OH-CD2 3.07Å; Y327-E338 WeakPolarHBondContact CE2-OE2 3.26Å; Y327-A362 HydrophobicContact CD1-CB 4.18Å; Y327-A362 HydrophobicContact CE1-CB 4.06Å; Y327-G363 VanDerWaalsContact CD2-CA 3.48Å
328	P	93.8	Very high	94.9	Very high	73 Å²	73	50 Å²	50	47%	0.474	32%	0.315	S	S	.	.	S	Bend	cis	-59.2	149.2	-12.9	-21.3	34.1	0	0	0	111.9	S326 E338	S326-P328 CarbonylContact O-C 3.42Å; P328-E338 WeakPolarHBondContact CA-OE1 3.42Å; P328-E338 WeakPolarHBondContact CB-OE1 2.71Å
329	I	95.8	Very high	95	Very high	0 Å²	0	53 Å²	53	0%	0	33%	0.326	C	S	.	.			trans	-83.3	-39.6	172.8	-163.8	174	0	0	0	110.5	Y201 L253 V254 Y306 L325 S326 P331 E338 L365	Y201-I329 WeakPolarHBondContact OH-CG1 3.46Å; Y201-I329 PolarHBondContact OH-O 3.36Å; L253-I329 HydrophobicContact CB-CD1 4.37Å; L253-I329 HydrophobicContact CD2-CD1 3.88Å; L253-I329 HydrophobicContact CG-CD1 4.39Å; V254-I329 HydrophobicContact CG2-CD1 4.5Å; V254-I329 HydrophobicContact CG2-CG1 3.96Å; Y306-I329 HydrophobicContact CE1-CG2 4.04Å; Y306-I329 HydrophobicContact CE2-CB 4.02Å; Y306-I329 HydrophobicContact CE2-CG2 4.32Å; Y306-I329 WeakPolarHBondContact OH-CB 3.31Å; Y306-I329 WeakPolarHBondContact OH-CG2 3.15Å; Y306-I329 PolarHBondContact OH-N 3.26Å; L325-I329 HydrophobicContact CD1-CD1 4.03Å; L325-I329 HydrophobicContact CD2-CD1 3.93Å; L325-I329 HydrophobicContact CG-CD1 4.41Å; S326-I329 WeakPolarHBondContact O-CA 2.93Å; S326-I329 PolarHBondContact O-N 3.29Å; I329-P331 WeakPolarHBondContact O-CD 3.39Å; I329-E338 WeakPolarHBondContact CG2-OE1 3.29Å; I329-E338 PolarHBondContact N-OE1 3.43Å; I329-L365 HydrophobicContact CG2-CD1 4.22Å; I329-L365 HydrophobicContact CG2-CD2 4.01Å; I329-L365 HydrophobicContact CG2-CG 4.39Å
330	I	96.9	Very high	94.9	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.031	32%	0.317	C	S	.	.	S	Bend	trans	-78.3	123.7	-179.4	-55.5	179.3	0	0	0	109.8	V254 C257 V334 I336 E338 L365	V254-I330 HydrophobicContact CG2-CG1 4.44Å; C257-I330 HydrophobicContact CB-CD1 3.6Å; C257-I330 HydrophobicContact CB-CG1 4.29Å; I330-V334 HydrophobicContact CG2-CB 4.43Å; I330-I336 HydrophobicContact CD1-CG2 3.88Å; I330-I336 HydrophobicContact CG2-CB 4.3Å; I330-E338 HydrophobicContact CB-CG 4.26Å; I330-E338 HydrophobicContact CD1-CG 3.87Å; I330-E338 HydrophobicContact CG1-CG 3.98Å; I330-E338 PolarHBondContact N-OE1 3.12Å; I330-L365 HydrophobicContact CD1-CD2 4.01Å; I330-L365 HydrophobicContact CG1-CD2 4.32Å
331	P	96.6	Very high	95.1	Very high	12 Å²	12	45 Å²	45	8%	0.078	28%	0.28	C	S	.	.			trans	-57.1	128.6	174.6	-26.1	35.8	0	0	0	111.9	I197 T200 Y201 V202 I329 T333 V334	I197-P331 HydrophobicContact CD1-CG 3.97Å; I197-P331 HydrophobicContact CG2-CB 4.4Å; T200-P331 HydrophobicContact CG2-CB 3.81Å; T200-P331 HydrophobicContact CG2-CG 3.98Å; Y201-P331 HydrophobicContact CE1-CG 4.21Å; V202-P331 HydrophobicContact CG2-CG 4.17Å; I329-P331 WeakPolarHBondContact O-CD 3.39Å; P331-T333 PolarHBondContact O-N 2.87Å; P331-V334 HydrophobicContact CB-CG2 4.31Å; P331-V334 WeakPolarHBondContact O-CG2 3.23Å; P331-V334 PolarHBondContact O-N 2.62Å; P331-V334 VanDerWaalsContact O-N 3.11Å
332	P	94.1	Very high	95.1	Very high	105 Å²	105	46.7 Å²	46.7	68%	0.682	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-58.4	-26.2	-175.4	-27.8	34.9	0	0	0	114.6	V334 G335	P332-V334 PolarHBondContact O-N 3.16Å; P332-G335 PolarHBondContact O-N 3.43Å
333	T	95	Very high	95.2	Very high	118 Å²	118	48.1 Å²	48.1	72%	0.724	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-60.4	-23.2	178.8	47.9	0	0	0	0	113.7	P331 G335	P331-T333 PolarHBondContact O-N 2.87Å; T333-G335 VanDerWaalsContact C-N 3.29Å
334	V	95.5	Very high	95	Very high	33 Å²	33	50.7 Å²	50.7	20%	0.2	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-74.8	-21.8	177.7	-168.8	0	0	0	0	111.8	I197 Q258 I330 P331 P332 I336	I197-V334 HydrophobicContact CD1-CG2 3.27Å; I197-V334 HydrophobicContact CG1-CG2 3.77Å; I197-V334 HydrophobicContact CG2-CG2 3.97Å; Q258-V334 HydrophobicContact CG-CG1 4.12Å; I330-V334 HydrophobicContact CG2-CB 4.43Å; P331-V334 HydrophobicContact CB-CG2 4.31Å; P331-V334 WeakPolarHBondContact O-CG2 3.23Å; P331-V334 PolarHBondContact O-N 2.62Å; P331-V334 VanDerWaalsContact O-N 3.11Å; P332-V334 PolarHBondContact O-N 3.16Å; V334-I336 VanDerWaalsContact C-N 3.33Å; V334-I336 HydrophobicContact CG1-CD1 3.53Å; V334-I336 HydrophobicContact CG1-CG1 3.89Å; V334-I336 PolarHBondContact O-N 3.2Å
335	G	96.7	Very high	94.4	Very high	26 Å²	26	52.2 Å²	52.2	27%	0.268	30%	0.303	S	S	.	.			trans	68.5	28.5	-179.5	0	0	0	0	0	114.1	P332 T333 F343 K344	P332-G335 PolarHBondContact O-N 3.43Å; T333-G335 VanDerWaalsContact C-N 3.29Å; G335-F343 CarbonylContact O-C 3.46Å; G335-F343 WeakPolarHBondContact O-CA 3.36Å; G335-K344 PolarHBondContact O-N 2.86Å
336	I	97.6	Very high	92.9	Very high	7 Å²	7	63.6 Å²	63.6	4%	0.036	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	137.7	175	-67.2	171.6	0	0	0	109.6	Q258 A261 I330 V334 S342 F343	Q258-I336 HydrophobicContact CB-CD1 4.37Å; Q258-I336 HydrophobicContact CG-CD1 3.98Å; A261-I336 HydrophobicContact CB-CD1 3.56Å; A261-I336 HydrophobicContact CB-CG1 3.88Å; A261-I336 HydrophobicContact CB-CG2 4.3Å; I330-I336 HydrophobicContact CD1-CG2 3.88Å; I330-I336 HydrophobicContact CG2-CB 4.3Å; V334-I336 VanDerWaalsContact C-N 3.33Å; V334-I336 HydrophobicContact CG1-CD1 3.53Å; V334-I336 HydrophobicContact CG1-CG1 3.89Å; V334-I336 PolarHBondContact O-N 3.2Å; I336-S342 WeakPolarHBondContact CA-O 3.21Å; I336-F343 HydrophobicContact CD1-CE1 4.19Å; I336-F343 HydrophobicContact CG1-CD1 3.94Å; I336-F343 HydrophobicContact CG1-CE1 3.94Å
337	S	95.6	Very high	90.9	Very high	40 Å²	40	64.8 Å²	64.8	28%	0.28	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	135.3	171.9	-177.9	0	0	0	0	111.1	C341 S342	S337-C341 WeakPolarHBondContact O-CA 3.26Å; S337-C341 PolarHBondContact O-N 3.04Å; S337-S342 PolarHBondContact N-O 3.35Å
338	E	95.4	Very high	88.6	Confident	20 Å²	20	63.6 Å²	63.6	9%	0.093	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-39.8	176.2	-72.1	-167.6	167.2	0	0	112.6	Y306 Y327 P328 I329 I330 G340 L365 A366	Y306-E338 PolarHBondContact OH-OE1 3.28Å; Y306-E338 PolarHBondContact OH-OE2 2.87Å; Y306-E338 VanDerWaalsContact OH-OE2 3.05Å; Y327-E338 WeakPolarHBondContact CE2-OE2 3.26Å; P328-E338 WeakPolarHBondContact CA-OE1 3.42Å; P328-E338 WeakPolarHBondContact CB-OE1 2.71Å; I329-E338 WeakPolarHBondContact CG2-OE1 3.29Å; I329-E338 PolarHBondContact N-OE1 3.43Å; I330-E338 HydrophobicContact CB-CG 4.26Å; I330-E338 HydrophobicContact CD1-CG 3.87Å; I330-E338 HydrophobicContact CG1-CG 3.98Å; I330-E338 PolarHBondContact N-OE1 3.12Å; E338-G340 PolarHBondContact O-N 2.98Å; E338-G340 VanDerWaalsContact O-N 3.15Å; E338-L365 HydrophobicContact CB-CD2 3.8Å; E338-L365 HydrophobicContact CG-CD2 3.77Å; E338-L365 CarbonylContact O-C 3.31Å; E338-L365 WeakPolarHBondContact O-CA 3.47Å; E338-A366 PolarHBondContact O-N 3.22Å
339	L	94.5	Very high	86.1	Confident	79 Å²	79	65.8 Å²	65.8	41%	0.414	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	5.5	-177.8	-66.3	178	0	0	0	114.7	F360 T364	L339-F360 HydrophobicContact CD1-CD1 3.58Å; L339-F360 HydrophobicContact CD1-CE1 3.84Å; L339-T364 HydrophobicContact CD2-CG2 3.89Å
340	G	92.9	Very high	83.6	Confident	15 Å²	15	76 Å²	76	16%	0.155	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-151.6	0.4	173.4	0	0	0	0	0	114.9	Q264 E338 S342 A366	Q264-G340 PolarHBondContact NE2-O 3.43Å; E338-G340 PolarHBondContact O-N 2.98Å; E338-G340 VanDerWaalsContact O-N 3.15Å; G340-S342 PolarHBondContact O-N 2.75Å; G340-A366 CarbonylContact C-O 3.57Å; G340-A366 WeakPolarHBondContact CA-O 3.16Å; G340-A366 PolarHBondContact N-O 3.27Å
341	C	95.2	Very high	80.6	Confident	0 Å²	0	84.7 Å²	84.7	0%	0	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	39.8	46.5	-172.3	-70.4	0	0	0	0	111.6	C257 L260 A261 Q264 S337 A366 H367	C257-C341 VanDerWaalsContact SG-SG 3.65Å; L260-C341 HydrophobicContact CB-CB 4.13Å; A261-C341 WeakPolarHBondContact CA-O 3.24Å; A261-C341 WeakPolarHBondContact CB-O 3.43Å; A261-C341 PolarHBondContact N-O 3.18Å; Q264-C341 PolarHBondContact NE2-O 3.21Å; S337-C341 WeakPolarHBondContact O-CA 3.26Å; S337-C341 PolarHBondContact O-N 3.04Å; C341-A366 PolarHBondContact N-O 2.82Å; C341-A366 PolarHBondContact SG-O 2.82Å; C341-H367 HydrophobicContact CB-CB 4.05Å
342	S	95.3	Very high	77.9	Confident	49 Å²	49	87.2 Å²	87.2	34%	0.343	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	150.7	-174.6	60	0	0	0	0	110	I336 S337 G340 K344	I336-S342 WeakPolarHBondContact CA-O 3.21Å; S337-S342 PolarHBondContact N-O 3.35Å; G340-S342 PolarHBondContact O-N 2.75Å; S342-K344 PolarHBondContact O-N 2.98Å
343	F	96.6	Very high	75.4	Confident	66 Å²	66	90.8 Å²	90.8	29%	0.289	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	129.8	177.8	-66.3	-74.3	0	0	0	110.7	A261 H262 K265 G335 I336 V345	A261-F343 HydrophobicContact CB-CD2 4.2Å; A261-F343 HydrophobicContact CB-CE2 3.86Å; A261-F343 HydrophobicContact CB-CZ 4.03Å; H262-F343 AromaticContact CD2-CZ 3.83Å; H262-F343 AromaticContact CE1-CZ 3.51Å; H262-F343 AromaticContact CG-CZ 3.94Å; H262-F343 AromaticContact ND1-CZ 3.72Å; H262-F343 AromaticContact NE2-CZ 3.55Å; K265-F343 HydrophobicContact CB-CD2 4.25Å; K265-F343 HydrophobicContact CB-CE2 4.33Å; K265-F343 HydrophobicContact CD-CD2 3.81Å; K265-F343 HydrophobicContact CD-CE2 3.9Å; G335-F343 CarbonylContact O-C 3.46Å; G335-F343 WeakPolarHBondContact O-CA 3.36Å; I336-F343 HydrophobicContact CD1-CE1 4.19Å; I336-F343 HydrophobicContact CG1-CD1 3.94Å; I336-F343 HydrophobicContact CG1-CE1 3.94Å; F343-V345 PolarHBondContact O-N 3.34Å
344	K	92.7	Very high	72.4	Confident	119 Å²	119	91.2 Å²	91.2	52%	0.517	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-63.8	132.1	174.1	-63.2	-177.8	-179.4	-172.2	0	109.2	G335 S342 R346	G335-K344 PolarHBondContact O-N 2.86Å; S342-K344 PolarHBondContact O-N 2.98Å; K344-R346 PolarHBondContact O-N 2.67Å
345	V	83.3	Confident	69.6	Low	118 Å²	118	93.3 Å²	93.3	72%	0.715	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-67.6	128.8	174.5	-174.3	0	0	0	0	108.3	F343 S347	F343-V345 PolarHBondContact O-N 3.34Å; V345-S347 VanDerWaalsContact CG1-OG 3.29Å; V345-S347 WeakPolarHBondContact CG1-OG 3.21Å; V345-S347 PolarHBondContact O-N 3.26Å
346	R	65.1	Low	66.5	Low	258 Å²	258	100 Å²	100	97%	0.974	54%	0.537	S	S	*	.	S	Bend	trans	-72.9	64.7	173.4	-71.2	-176.2	175.7	170.8	-1.6	110.4	K344	K344-R346 PolarHBondContact O-N 2.67Å
347	S	50.8	Low	63.6	Low	91 Å²	91	102.1 Å²	102.1	64%	0.636	55%	0.552	S	S	*	*			trans	-153.5	66.4	173.7	61.9	0	0	0	0	111.4	V345	V345-S347 VanDerWaalsContact CG1-OG 3.29Å; V345-S347 WeakPolarHBondContact CG1-OG 3.21Å; V345-S347 PolarHBondContact O-N 3.26Å
348	S	41.2	Very low	61.2	Low	101 Å²	101	105.4 Å²	105.4	71%	0.706	57%	0.572	S	S	*	*	S	Bend	trans	-163.5	127.8	144.7	37.7	0	0	0	0	107.3
349	P	41.1	Very low	58.7	Low	119 Å²	119	112 Å²	112	77%	0.773	61%	0.609	S	S	*	*			trans	-55	145.4	167.4	24.7	-30.7	0	0	0	107.4	K351	P349-K351 PolarHBondContact O-N 2.87Å
350	F	43.1	Very low	56.4	Low	215 Å²	215	115 Å²	115	94%	0.943	62%	0.618	S	S	*	*			trans	-43.4	81.6	176.1	-85.8	-98	0	0	0	111.2	A352	F350-A352 PolarHBondContact O-N 3.19Å; F350-A352 VanDerWaalsContact O-N 3.16Å
351	K	34.9	Very low	54.8	Low	188 Å²	188	116.5 Å²	116.5	82%	0.817	63%	0.627	S	S	*	*			trans	-70.5	101	142	-75.7	-171.5	176.6	-176.4	0	101	P349 E353	P349-K351 PolarHBondContact O-N 2.87Å; K351-E353 PolarHBondContact O-N 3.38Å; K351-E353 VanDerWaalsContact O-N 3.1Å
352	A	40.2	Very low	54	Low	65 Å²	65	119.5 Å²	119.5	54%	0.537	65%	0.651	S	S	.	*			trans	-39.2	125.3	154	0	0	0	0	0	105.4	F350 T354	F350-A352 PolarHBondContact O-N 3.19Å; F350-A352 VanDerWaalsContact O-N 3.16Å; A352-T354 HydrophobicContact CB-CG2 4.34Å; A352-T354 PolarHBondContact O-N 3.16Å
353	E	40	Very low	53.8	Low	180 Å²	180	117.2 Å²	117.2	84%	0.841	64%	0.635	S	S	*	*			trans	-64	71.4	169.3	-74.2	172.3	171.8	0	0	107.1	K351	K351-E353 PolarHBondContact O-N 3.38Å; K351-E353 VanDerWaalsContact O-N 3.1Å
354	T	32.4	Very low	53.7	Low	127 Å²	127	114.2 Å²	114.2	78%	0.779	62%	0.623	S	S	*	*			trans	-93.3	51.7	155.1	55.4	0	0	0	0	106.2	A352	A352-T354 HydrophobicContact CB-CG2 4.34Å; A352-T354 PolarHBondContact O-N 3.16Å
355	S	36.8	Very low	53.9	Low	76 Å²	76	108.5 Å²	108.5	53%	0.531	60%	0.598	S	S	.	*			trans	-94.6	103.9	158	54.3	0	0	0	0	106	S357	S355-S357 PolarHBondContact O-N 2.87Å
356	N	32.7	Very low	54.6	Low	168 Å²	168	103.6 Å²	103.6	90%	0.898	57%	0.57	S	S	*	*			trans	-60.9	66.1	156.4	-76	-22.6	0	0	0	109.1	P358	N356-P358 VanDerWaalsContact O-CD 3.25Å; N356-P358 WeakPolarHBondContact O-CD 3.38Å
357	S	35.4	Very low	56	Low	50 Å²	50	92 Å²	92	35%	0.35	53%	0.527	S	S	.	.			trans	-90.2	95.4	154.2	52.4	0	0	0	0	105.2	S355 N359 F360	S355-S357 PolarHBondContact O-N 2.87Å; S357-N359 PolarHBondContact O-N 2.84Å; S357-F360 VanDerWaalsContact OG-CD2 3.29Å; S357-F360 WeakPolarHBondContact OG-CD2 3.28Å; S357-F360 WeakPolarHBondContact OG-CE2 3.42Å
358	P	45.6	Very low	57.9	Low	109 Å²	109	91.6 Å²	91.6	71%	0.708	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	124.1	174.1	24.5	-20.2	0	0	0	106.6	N356	N356-P358 VanDerWaalsContact O-CD 3.25Å; N356-P358 WeakPolarHBondContact O-CD 3.38Å
359	N	42.2	Very low	60.3	Low	160 Å²	160	87.5 Å²	87.5	86%	0.856	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.3	22	173.4	-52.1	-18.9	0	0	0	118.4	S357 S361	S357-N359 PolarHBondContact O-N 2.84Å; N359-S361 PolarHBondContact O-N 3.33Å
360	F	47.5	Very low	62.7	Low	140 Å²	140	83.8 Å²	83.8	61%	0.614	47%	0.47	S	S	*	.			trans	-70	114.6	150.9	-81.5	-73.3	0	0	0	108.1	L339 S357 A362	L339-F360 HydrophobicContact CD1-CD1 3.58Å; L339-F360 HydrophobicContact CD1-CE1 3.84Å; S357-F360 VanDerWaalsContact OG-CD2 3.29Å; S357-F360 WeakPolarHBondContact OG-CD2 3.28Å; S357-F360 WeakPolarHBondContact OG-CE2 3.42Å; F360-A362 PolarHBondContact O-N 2.91Å
361	S	58.1	Low	65.1	Low	47 Å²	47	73.7 Å²	73.7	33%	0.329	43%	0.426	S	S	.	.			trans	-59.7	98.2	-174.7	53.2	0	0	0	0	110.9	R303 N359 G363 T364	R303-S361 PolarHBondContact NH2-OG 3.45Å; N359-S361 PolarHBondContact O-N 3.33Å; S361-G363 PolarHBondContact O-N 3.15Å; S361-T364 WeakPolarHBondContact CB-OG1 3.48Å; S361-T364 PolarHBondContact O-OG1 3.11Å; S361-T364 WeakPolarHBondContact OG-CB 3.43Å; S361-T364 PolarHBondContact OG-OG1 2.74Å
362	A	79	Confident	67.9	Low	63 Å²	63	67.4 Å²	67.4	52%	0.521	41%	0.406	S	S	.	.	S	Bend	trans	-50.2	125.5	174.7	0	0	0	0	0	109.2	A307 Y327 F360	A307-A362 WeakPolarHBondContact CB-O 3.41Å; Y327-A362 HydrophobicContact CD1-CB 4.18Å; Y327-A362 HydrophobicContact CE1-CB 4.06Å; F360-A362 PolarHBondContact O-N 2.91Å
363	G	90.6	Very high	70.5	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.01	39%	0.388	C	S	.	.	S	Bend	trans	81.5	50.9	179.5	0	0	0	0	0	114.8	E305 Y306 A307 Y327 S361	E305-G363 CarbonylContact C-O 3.56Å; Y306-G363 VanDerWaalsContact CD1-O 3.27Å; Y306-G363 WeakPolarHBondContact CD1-O 3.35Å; Y306-G363 PolarHBondContact N-O 3.45Å; A307-G363 PolarHBondContact N-O 3.34Å; Y327-G363 VanDerWaalsContact CD2-CA 3.48Å; S361-G363 PolarHBondContact O-N 3.15Å
364	T	95.8	Very high	73.2	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.018	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.7	175.8	-59.4	0	0	0	0	111.9	R303 L304 E305 L339 S361	R303-T364 HydrophobicContact CG-CG2 4.2Å; R303-T364 VanDerWaalsContact CZ-CG2 3.42Å; L304-T364 CarbonylContact O-C 3.57Å; L304-T364 WeakPolarHBondContact O-CA 3.5Å; E305-T364 HydrophobicContact CG-CG2 4.45Å; L339-T364 HydrophobicContact CD2-CG2 3.89Å; S361-T364 WeakPolarHBondContact CB-OG1 3.48Å; S361-T364 PolarHBondContact O-OG1 3.11Å; S361-T364 WeakPolarHBondContact OG-CB 3.43Å; S361-T364 PolarHBondContact OG-OG1 2.74Å
365	L	97.1	Very high	76.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	144.8	165.8	-65.8	168.7	0	0	0	110.2	L253 F298 R303 L304 Y306 I329 I330 E338	L253-L365 HydrophobicContact CD1-CD1 3.69Å; L253-L365 HydrophobicContact CD2-CD1 3.55Å; L253-L365 HydrophobicContact CG-CD1 3.47Å; L253-L365 VanDerWaalsContact CG-CD1 3.47Å; F298-L365 HydrophobicContact CD2-CB 4.38Å; F298-L365 HydrophobicContact CE1-CB 4.41Å; F298-L365 HydrophobicContact CE1-CD1 4.43Å; F298-L365 HydrophobicContact CE2-CB 3.72Å; F298-L365 HydrophobicContact CZ-CB 3.73Å; R303-L365 CarbonylContact C-O 3.54Å; R303-L365 WeakPolarHBondContact CA-O 3.41Å; L304-L365 HydrophobicContact CB-CB 4.47Å; L304-L365 PolarHBondContact N-O 3.12Å; L304-L365 PolarHBondContact O-N 3.04Å; Y306-L365 HydrophobicContact CD1-CD1 4.17Å; Y306-L365 HydrophobicContact CD1-CG 3.82Å; Y306-L365 HydrophobicContact CE1-CD1 4.36Å; Y306-L365 HydrophobicContact CE1-CD2 4.31Å; Y306-L365 HydrophobicContact CE1-CG 3.74Å; I329-L365 HydrophobicContact CG2-CD1 4.22Å; I329-L365 HydrophobicContact CG2-CD2 4.01Å; I329-L365 HydrophobicContact CG2-CG 4.39Å; I330-L365 HydrophobicContact CD1-CD2 4.01Å; I330-L365 HydrophobicContact CG1-CD2 4.32Å; E338-L365 HydrophobicContact CB-CD2 3.8Å; E338-L365 HydrophobicContact CG-CD2 3.77Å; E338-L365 CarbonylContact O-C 3.31Å; E338-L365 WeakPolarHBondContact O-CA 3.47Å
366	A	96.6	Very high	78.6	Confident	15 Å²	15	52.6 Å²	52.6	12%	0.124	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	158	170.7	0	0	0	0	0	112	G302 E338 G340 C341	G302-A366 CarbonylContact O-C 3.55Å; G302-A366 WeakPolarHBondContact O-CA 3.48Å; G302-A366 WeakPolarHBondContact O-CB 3.36Å; E338-A366 PolarHBondContact O-N 3.22Å; G340-A366 CarbonylContact C-O 3.57Å; G340-A366 WeakPolarHBondContact CA-O 3.16Å; G340-A366 PolarHBondContact N-O 3.27Å; C341-A366 PolarHBondContact N-O 2.82Å; C341-A366 PolarHBondContact SG-O 2.82Å
367	H	94.9	Very high	81	Confident	14 Å²	14	45.9 Å²	45.9	7%	0.065	28%	0.278	C	S	.	.			trans	-144.6	158.5	170.8	67.6	69.3	0	0	0	110.5	L260 F298 L299 G302 C341 L369	L260-H367 HydrophobicContact CD1-CB 4.48Å; F298-H367 AromaticContact CE2-CD2 3.67Å; F298-H367 AromaticContact CZ-CD2 3.69Å; F298-H367 PolarHBondContact O-NE2 3.21Å; L299-H367 PolarHBondContact O-CE1 3.07Å; L299-H367 VanDerWaalsContact O-CE1 3.23Å; L299-H367 PolarHBondContact O-NE2 2.91Å; G302-H367 VanDerWaalsContact CA-CE1 3.5Å; G302-H367 WeakPolarHBondContact CA-CE1 3.47Å; G302-H367 PolarHBondContact O-N 3.15Å; C341-H367 HydrophobicContact CB-CB 4.05Å; H367-L369 PolarHBondContact CE1-O 3.38Å; H367-L369 PolarHBondContact ND1-N 2.85Å; H367-L369 PolarHBondContact ND1-O 3.31Å
368	S	91.5	Very high	83.1	Confident	82 Å²	82	51.5 Å²	51.5	57%	0.573	30%	0.299	S	S	*	.			trans	-95.1	-2.9	-176.9	62.9	0	0	0	0	114.3	Q264 S370	Q264-S368 PolarHBondContact OE1-OG 3.02Å; Q264-S368 VanDerWaalsContact OE1-OG 3.12Å; S368-S370 PolarHBondContact O-N 3.4Å
369	L	91.5	Very high	84.4	Confident	16 Å²	16	48.9 Å²	48.9	8%	0.084	28%	0.281	C	S	.	.			trans	-68.8	129.9	174.5	-56	-179.1	0	0	0	110.4	L260 L263 Q264 I281 H367 L371	L260-L369 HydrophobicContact CD2-CD1 3.78Å; L263-L369 HydrophobicContact CB-CD1 4.39Å; L263-L369 HydrophobicContact CD2-CD1 3.43Å; L263-L369 VanDerWaalsContact CD2-CD1 3.43Å; L263-L369 HydrophobicContact CG-CD1 3.98Å; Q264-L369 HydrophobicContact CG-CD1 4.01Å; Q264-L369 HydrophobicContact CG-CD2 3.62Å; Q264-L369 HydrophobicContact CG-CG 3.62Å; I281-L369 HydrophobicContact CD1-CD1 4.14Å; I281-L369 HydrophobicContact CD1-CD2 3.45Å; I281-L369 VanDerWaalsContact CD1-CD2 3.45Å; I281-L369 HydrophobicContact CD1-CG 4.41Å; H367-L369 PolarHBondContact CE1-O 3.38Å; H367-L369 PolarHBondContact ND1-N 2.85Å; H367-L369 PolarHBondContact ND1-O 3.31Å; L369-L371 HydrophobicContact CB-CD1 4.24Å; L369-L371 HydrophobicContact CB-CD2 4.14Å; L369-L371 HydrophobicContact CB-CG 3.82Å; L369-L371 HydrophobicContact CD1-CD1 4.25Å; L369-L371 HydrophobicContact CD1-CD2 4.47Å; L369-L371 PolarHBondContact O-N 3.49Å
370	S	90.2	Very high	86	Confident	40 Å²	40	45.2 Å²	45.2	28%	0.28	27%	0.265	S	S	.	.			trans	-94.6	86.6	169.6	-163.4	0	0	0	0	109.1	S368 G403 P404 N407	S368-S370 PolarHBondContact O-N 3.4Å; S370-G403 WeakPolarHBondContact O-CA 3.41Å; S370-P404 WeakPolarHBondContact O-CD 3.38Å; S370-N407 VanDerWaalsContact CB-ND2 3.28Å; S370-N407 WeakPolarHBondContact CB-ND2 3.49Å; S370-N407 PolarHBondContact OG-ND2 2.98Å
371	L	93.9	Very high	87.1	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.021	27%	0.272	C	S	.	.			trans	-94.4	134.1	-176.7	-58.8	174	0	0	0	110.7	L260 L283 L299 T300 L369 F401 Y402	L260-L371 HydrophobicContact CD2-CD1 4.32Å; L283-L371 HydrophobicContact CD2-CD1 4.21Å; L299-L371 HydrophobicContact CD2-CD1 3.97Å; L299-L371 WeakPolarHBondContact O-CB 2.82Å; T300-L371 WeakPolarHBondContact CA-O 3.36Å; L369-L371 HydrophobicContact CB-CD1 4.24Å; L369-L371 HydrophobicContact CB-CD2 4.14Å; L369-L371 HydrophobicContact CB-CG 3.82Å; L369-L371 HydrophobicContact CD1-CD1 4.25Å; L369-L371 HydrophobicContact CD1-CD2 4.47Å; L369-L371 PolarHBondContact O-N 3.49Å; L371-F401 HydrophobicContact CB-CB 4.34Å; L371-Y402 CarbonylContact C-O 3.52Å; L371-Y402 WeakPolarHBondContact CA-O 3.35Å
372	S	93.9	Very high	87.9	Confident	55 Å²	55	51.4 Å²	51.4	39%	0.385	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	145.4	168.3	-63	0	0	0	0	109.3	F401 Y402	S372-F401 CarbonylContact O-C 3.51Å; S372-F401 VanDerWaalsContact O-CA 3.26Å; S372-F401 WeakPolarHBondContact O-CA 3.49Å; S372-Y402 PolarHBondContact N-O 2.71Å; S372-Y402 VanDerWaalsContact O-CD1 3.32Å; S372-Y402 WeakPolarHBondContact O-CD1 3.32Å; S372-Y402 PolarHBondContact O-N 3.26Å
373	S	95.1	Very high	88.2	Confident	23 Å²	23	54.4 Å²	54.4	16%	0.161	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	139.1	168.8	178.1	0	0	0	0	109.8	F375 L377	S373-F375 VanDerWaalsContact CB-O 3.23Å; S373-F375 WeakPolarHBondContact CB-O 3.27Å; S373-F375 PolarHBondContact O-N 2.95Å; S373-F375 PolarHBondContact OG-N 3.44Å; S373-F375 VanDerWaalsContact OG-N 3.08Å; S373-F375 PolarHBondContact OG-O 3.36Å; S373-L377 WeakPolarHBondContact OG-CD2 3.34Å
374	A	95.5	Very high	88.1	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.008	32%	0.319	C	S	.	.	S	Bend	trans	-70.8	-15.5	170	0	0	0	0	0	112.4	I400 Y402 N423 A453	A374-I400 HydrophobicContact CB-CB 3.97Å; A374-I400 HydrophobicContact CB-CG2 4.02Å; A374-I400 VanDerWaalsContact CB-O 3.24Å; A374-I400 WeakPolarHBondContact CB-O 3.41Å; A374-I400 PolarHBondContact N-O 2.58Å; A374-Y402 HydrophobicContact CB-CD1 4.33Å; A374-N423 WeakPolarHBondContact O-CB 3.01Å; A374-N423 PolarHBondContact O-ND2 3.49Å; A374-A453 HydrophobicContact CB-CB 3.78Å
375	F	94.1	Very high	88	Confident	10 Å²	10	58.6 Å²	58.6	4%	0.044	32%	0.322	C	S	.	.	S	Bend	trans	-115.3	146.6	-179.7	-62.5	-95.2	0	0	0	110.4	S373 L377 I400 N423 S424 L426 L451 L452	S373-F375 VanDerWaalsContact CB-O 3.23Å; S373-F375 WeakPolarHBondContact CB-O 3.27Å; S373-F375 PolarHBondContact O-N 2.95Å; S373-F375 PolarHBondContact OG-N 3.44Å; S373-F375 VanDerWaalsContact OG-N 3.08Å; S373-F375 PolarHBondContact OG-O 3.36Å; F375-L377 PolarHBondContact O-N 2.87Å; F375-I400 HydrophobicContact CE2-CB 4.12Å; F375-I400 HydrophobicContact CE2-CD1 4.11Å; F375-I400 HydrophobicContact CE2-CG1 4.11Å; F375-N423 HydrophobicContact CD1-CB 4.06Å; F375-N423 HydrophobicContact CE1-CB 3.82Å; F375-N423 HydrophobicContact CZ-CB 4.12Å; F375-S424 VanDerWaalsContact CE1-O 3.27Å; F375-S424 WeakPolarHBondContact CE1-O 3.48Å; F375-L426 HydrophobicContact CB-CD1 4.48Å; F375-L426 HydrophobicContact CD1-CD1 4Å; F375-L426 HydrophobicContact CD1-CD2 3.75Å; F375-L426 HydrophobicContact CD1-CG 3.93Å; F375-L426 HydrophobicContact CE1-CD2 3.75Å; F375-L426 HydrophobicContact CE1-CG 4.34Å; F375-L451 HydrophobicContact CD2-CD1 4.47Å; F375-L451 HydrophobicContact CE1-CB 4.45Å; F375-L451 HydrophobicContact CE1-CD2 4.43Å; F375-L451 HydrophobicContact CE2-CB 3.97Å; F375-L451 HydrophobicContact CE2-CD1 4.08Å; F375-L451 HydrophobicContact CZ-CB 3.63Å; F375-L451 HydrophobicContact CZ-CD1 4.21Å; F375-L451 HydrophobicContact CZ-CD2 4.39Å; F375-L451 HydrophobicContact CZ-CG 4.31Å; F375-L452 WeakPolarHBondContact CZ-O 3.25Å
376	D	88.8	Confident	87.8	Confident	103 Å²	103	58.7 Å²	58.7	55%	0.551	32%	0.322	S	S	*	.			trans	-66.9	122.2	169.5	-169.5	-2.5	0	0	0	109.6	H378	D376-H378 IonicContact OD1-CD2 3.63Å; D376-H378 PolarHBondContact OD1-N 3.4Å
377	L	83.5	Confident	87.8	Confident	28 Å²	28	58 Å²	58	15%	0.147	32%	0.316	C	S	.	.			trans	-94.9	-8	-179	-59.4	-172.6	0	0	0	112.1	P291 C296 S373 F375 V379 F399 F401	P291-L377 HydrophobicContact CB-CB 4.02Å; P291-L377 HydrophobicContact CB-CD2 4.08Å; P291-L377 HydrophobicContact CB-CG 4.43Å; P291-L377 HydrophobicContact CG-CD2 4.45Å; C296-L377 WeakPolarHBondContact SG-CD1 3.35Å; S373-L377 WeakPolarHBondContact OG-CD2 3.34Å; F375-L377 PolarHBondContact O-N 2.87Å; L377-V379 PolarHBondContact O-N 3.25Å; L377-F399 HydrophobicContact CD2-CD1 4.14Å; L377-F399 HydrophobicContact CD2-CE1 3.89Å; L377-F401 HydrophobicContact CD1-CE1 4.4Å
378	H	80.1	Confident	87.9	Confident	168 Å²	168	58.2 Å²	58.2	78%	0.778	32%	0.319	S	S	*	.			trans	-96.5	66.8	179.9	-61.7	-65.1	0	0	0	110.9	D376	D376-H378 IonicContact OD1-CD2 3.63Å; D376-H378 PolarHBondContact OD1-N 3.4Å
379	V	72.6	Confident	87.9	Confident	54 Å²	54	54.5 Å²	54.5	33%	0.327	29%	0.292	S	S	.	.			trans	-99.2	136.7	177.6	-168.5	0	0	0	0	110.2	L377 E383 P385	L377-V379 PolarHBondContact O-N 3.25Å; V379-E383 HydrophobicContact CG1-CB 3.82Å; V379-E383 WeakPolarHBondContact CG1-O 3.19Å; V379-P385 HydrophobicContact CB-CG 4.31Å; V379-P385 HydrophobicContact CG2-CG 4.01Å
380	P	74.9	Confident	87.8	Confident	82 Å²	82	54.8 Å²	54.8	53%	0.532	30%	0.295	S	S	.	.			trans	-54.4	147.8	173	-25.1	34.7	0	0	0	112.2	E382 E383 K384	P380-E382 PolarHBondContact O-N 3.12Å; P380-E383 CarbonylContact O-C 3.52Å; P380-E383 PolarHBondContact O-N 2.94Å; P380-K384 PolarHBondContact O-N 3.26Å
381	V	72.6	Confident	87.5	Confident	125 Å²	125	55.8 Å²	55.8	76%	0.758	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-56.7	-36.9	-177.5	178.7	0	0	0	0	112.2	E383 K384	V381-E383 PolarHBondContact O-N 3.2Å; V381-K384 WeakPolarHBondContact O-CB 3.14Å; V381-K384 PolarHBondContact O-N 3.06Å
382	E	74.9	Confident	86.6	Confident	192 Å²	192	57.2 Å²	57.2	90%	0.897	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-68.9	-22.4	179.3	-60.2	-166.9	-163.3	0	0	113.4	P380	P380-E382 PolarHBondContact O-N 3.12Å
383	E	84	Confident	86.2	Confident	127 Å²	127	58.7 Å²	58.7	59%	0.593	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-109	25.4	178.1	-64.7	-172.2	179.4	0	0	111.6	V379 P380 V381 P385	V379-E383 HydrophobicContact CG1-CB 3.82Å; V379-E383 WeakPolarHBondContact CG1-O 3.19Å; P380-E383 CarbonylContact O-C 3.52Å; P380-E383 PolarHBondContact O-N 2.94Å; V381-E383 PolarHBondContact O-N 3.2Å; E383-P385 VanDerWaalsContact O-CD 3.28Å; E383-P385 WeakPolarHBondContact O-CD 3.37Å
384	K	89.1	Confident	86.1	Confident	79 Å²	79	58.4 Å²	58.4	34%	0.343	31%	0.311	S	S	.	.			trans	-49.9	114.1	-175.6	-176.1	-174.4	178.1	-165.4	0	110.4	P380 V381 S394 E395	P380-K384 PolarHBondContact O-N 3.26Å; V381-K384 WeakPolarHBondContact O-CB 3.14Å; V381-K384 PolarHBondContact O-N 3.06Å; K384-S394 PolarHBondContact NZ-O 3.5Å; K384-E395 WeakPolarHBondContact CE-OE1 3.49Å; K384-E395 WeakPolarHBondContact CE-OE2 3.45Å; K384-E395 IonicContact NZ-OE1 3.53Å; K384-E395 PolarHBondContact NZ-OE1 3.34Å; K384-E395 VanDerWaalsContact NZ-OE1 3.16Å; K384-E395 IonicContact NZ-OE2 2.69Å; K384-E395 PolarHBondContact NZ-OE2 3.21Å
385	P	92.9	Very high	86	Confident	13 Å²	13	59.7 Å²	59.7	8%	0.084	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	154.3	179.1	30.4	-35.1	0	0	0	110.1	V379 E383 L396 L426 L427	V379-P385 HydrophobicContact CB-CG 4.31Å; V379-P385 HydrophobicContact CG2-CG 4.01Å; E383-P385 VanDerWaalsContact O-CD 3.28Å; E383-P385 WeakPolarHBondContact O-CD 3.37Å; P385-L396 HydrophobicContact CB-CD2 4.34Å; P385-L396 HydrophobicContact CG-CB 4.47Å; P385-L396 HydrophobicContact CG-CD2 3.76Å; P385-L396 WeakPolarHBondContact O-CB 3.32Å; P385-L426 HydrophobicContact CB-CB 3.59Å; P385-L426 HydrophobicContact CB-CD1 3.54Å; P385-L426 HydrophobicContact CB-CG 4.18Å; P385-L426 HydrophobicContact CG-CD1 3.99Å; P385-L427 CarbonylContact C-O 3.58Å; P385-L427 WeakPolarHBondContact CA-O 3.19Å
386	V	94.2	Very high	86.1	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143.2	179.2	-49.1	0	0	0	0	109.9	S394 L427 E429 I432	V386-S394 WeakPolarHBondContact CG1-OG 3.35Å; V386-L427 PolarHBondContact N-O 3.44Å; V386-E429 HydrophobicContact CG1-CB 4.34Å; V386-I432 HydrophobicContact CG2-CD1 3.38Å
387	S	96.3	Very high	86.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	-116	-13.8	167.4	70.3	0	0	0	0	112.3	E395 V397 D398 H448 L449	S387-E395 PolarHBondContact N-O 3.4Å; S387-V397 PolarHBondContact OG-N 2.94Å; S387-D398 WeakPolarHBondContact CB-OD2 3.42Å; S387-D398 PolarHBondContact OG-N 3.09Å; S387-D398 PolarHBondContact OG-OD2 2.96Å; S387-H448 CarbonylContact O-C 3.43Å; S387-H448 WeakPolarHBondContact O-CA 3.12Å; S387-H448 WeakPolarHBondContact O-CB 3.35Å; S387-L449 PolarHBondContact O-N 2.96Å
388	T	96	Very high	87.2	Confident	20 Å²	20	53.3 Å²	53.3	12%	0.123	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	150.1	173.7	-171	0	0	0	0	111	S394 E395 V397 D447 H448	T388-S394 WeakPolarHBondContact O-CA 3.41Å; T388-E395 PolarHBondContact N-O 2.74Å; T388-E395 VanDerWaalsContact N-O 3.08Å; T388-E395 PolarHBondContact O-N 3.02Å; T388-V397 HydrophobicContact CG2-CG2 3.73Å; T388-D447 WeakPolarHBondContact CA-O 3.42Å; T388-H448 VanDerWaalsContact CB-CE1 3.47Å; T388-H448 WeakPolarHBondContact CB-CE1 3.45Å; T388-H448 PolarHBondContact OG1-CD2 2.95Å; T388-H448 PolarHBondContact OG1-NE2 3.04Å; T388-H448 VanDerWaalsContact OG1-NE2 3.08Å
389	M	92.7	Very high	88.1	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.02	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	116.1	174.5	-172.8	179.7	63.6	0	0	111.6	H393 E429 I432 M433 G437 L439 D447	M389-H393 CarbonylContact C-O 3.52Å; M389-H393 WeakPolarHBondContact CA-O 3.3Å; M389-E429 HydrophobicContact SD-CG 4.15Å; M389-I432 HydrophobicContact CE-CB 4.31Å; M389-I432 HydrophobicContact CE-CG2 3.43Å; M389-I432 VanDerWaalsContact CE-CG2 3.43Å; M389-I432 HydrophobicContact SD-CB 4.47Å; M389-I432 HydrophobicContact SD-CG2 4.2Å; M389-M433 HydrophobicContact CE-CG 4.48Å; M389-M433 HydrophobicContact CE-SD 3.69Å; M389-M433 HydrophobicContact SD-CG 3.82Å; M389-M433 HydrophobicContact SD-SD 3.6Å; M389-G437 WeakPolarHBondContact CE-O 3.36Å; M389-L439 HydrophobicContact CB-CD1 4.34Å; M389-L439 HydrophobicContact CE-CB 4.39Å; M389-L439 HydrophobicContact CE-CD1 4.13Å; M389-L439 HydrophobicContact CE-CG 3.78Å; M389-D447 PolarHBondContact N-O 3.12Å
390	V	89.9	Confident	89.3	Confident	22 Å²	22	42.9 Å²	42.9	13%	0.133	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	126.7	-173.9	-176.8	0	0	0	0	110	L109 Y110 G392 H393 D447	L109-V390 HydrophobicContact CB-CG1 3.49Å; L109-V390 VanDerWaalsContact CB-CG1 3.49Å; L109-V390 HydrophobicContact CD1-CG1 4Å; L109-V390 HydrophobicContact CD2-CG1 4.25Å; L109-V390 HydrophobicContact CG-CG1 4.12Å; Y110-V390 HydrophobicContact CE1-CG1 4.42Å; V390-G392 PolarHBondContact O-N 3.05Å; V390-H393 PolarHBondContact N-O 3.11Å; V390-H393 WeakPolarHBondContact O-CB 3.45Å; V390-H393 PolarHBondContact O-N 3.06Å; V390-D447 HydrophobicContact CG2-CB 3.87Å; V390-D447 WeakPolarHBondContact CG2-OD2 3.37Å
391	N	83.5	Confident	90.4	Very high	60 Å²	60	39 Å²	39	32%	0.321	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	22.3	-179.8	-156	9.9	0	0	0	117.1	L109 K112	L109-N391 WeakPolarHBondContact O-CB 3.45Å; L109-N391 PolarHBondContact O-N 3.47Å; K112-N391 PolarHBondContact NZ-O 3.35Å
392	G	74.4	Confident	91.5	Very high	34 Å²	34	34.2 Å²	34.2	35%	0.351	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	16.7	-173.8	0	0	0	0	0	113.8	V390	V390-G392 PolarHBondContact O-N 3.05Å
393	H	85.1	Confident	92.2	Very high	87 Å²	87	25.2 Å²	25.2	40%	0.403	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.8	162.6	-61.1	-58.4	0	0	0	108.6	F10 M389 V390	F10-H393 WeakPolarHBondContact CB-NE2 3.21Å; F10-H393 AromaticContact CD1-CD2 3.83Å; F10-H393 AromaticContact CD1-CE1 3.85Å; F10-H393 AromaticContact CD1-NE2 3.72Å; F10-H393 AromaticContact CG-NE2 3.74Å; M389-H393 CarbonylContact C-O 3.52Å; M389-H393 WeakPolarHBondContact CA-O 3.3Å; V390-H393 PolarHBondContact N-O 3.11Å; V390-H393 WeakPolarHBondContact O-CB 3.45Å; V390-H393 PolarHBondContact O-N 3.06Å
394	S	92.5	Very high	91.8	Very high	16 Å²	16	21 Å²	21	11%	0.112	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	139.5	-177.7	73.7	0	0	0	0	110.7	K384 V386 T388 E429	K384-S394 PolarHBondContact NZ-O 3.5Å; V386-S394 WeakPolarHBondContact CG1-OG 3.35Å; T388-S394 WeakPolarHBondContact O-CA 3.41Å; S394-E429 WeakPolarHBondContact CB-OE2 3.5Å; S394-E429 WeakPolarHBondContact OG-CB 3.24Å; S394-E429 PolarHBondContact OG-OE2 3.05Å
395	E	94	Very high	90.4	Very high	28 Å²	28	17.9 Å²	17.9	13%	0.131	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	155.3	179.9	-169.9	58.8	-90.3	0	0	111.4	T290 L317 K384 S387 T388 V397	T290-E395 HydrophobicContact CG2-CG 3.95Å; T290-E395 WeakPolarHBondContact CG2-OE2 3.24Å; L317-E395 HydrophobicContact CD2-CB 4.35Å; L317-E395 HydrophobicContact CD2-CG 3.75Å; K384-E395 WeakPolarHBondContact CE-OE1 3.49Å; K384-E395 WeakPolarHBondContact CE-OE2 3.45Å; K384-E395 IonicContact NZ-OE1 3.53Å; K384-E395 PolarHBondContact NZ-OE1 3.34Å; K384-E395 VanDerWaalsContact NZ-OE1 3.16Å; K384-E395 IonicContact NZ-OE2 2.69Å; K384-E395 PolarHBondContact NZ-OE2 3.21Å; S387-E395 PolarHBondContact N-O 3.4Å; T388-E395 PolarHBondContact N-O 2.74Å; T388-E395 VanDerWaalsContact N-O 3.08Å; T388-E395 PolarHBondContact O-N 3.02Å; E395-V397 HydrophobicContact CB-CG1 3.9Å; E395-V397 HydrophobicContact CG-CG1 3.62Å
396	L	96	Very high	88.5	Confident	3 Å²	3	24 Å²	24	2%	0.016	13%	0.127	C	C	.	.			trans	-89.9	101	164.3	176.7	58.1	0	0	0	109.2	P291 P385 D398 F399 L426 L451	P291-L396 HydrophobicContact CG-CB 4.13Å; P291-L396 HydrophobicContact CG-CD2 3.71Å; P291-L396 HydrophobicContact CG-CG 4.02Å; P385-L396 HydrophobicContact CB-CD2 4.34Å; P385-L396 HydrophobicContact CG-CB 4.47Å; P385-L396 HydrophobicContact CG-CD2 3.76Å; P385-L396 WeakPolarHBondContact O-CB 3.32Å; L396-D398 WeakPolarHBondContact CD1-O 2.9Å; L396-F399 HydrophobicContact CG-CE1 4.33Å; L396-F399 HydrophobicContact CG-CZ 4.43Å; L396-L426 HydrophobicContact CD2-CD1 3.92Å; L396-L451 HydrophobicContact CD1-CD1 4.13Å
397	V	97.4	Very high	86.3	Confident	5 Å²	5	28.8 Å²	28.8	3%	0.03	15%	0.153	C	C	.	.			trans	-117.3	-14.2	-179	-61.3	0	0	0	0	113.7	M287 L317 S387 T388 E395 F399	M287-V397 PolarHBondContact N-O 3.42Å; L317-V397 HydrophobicContact CD1-CG1 4.34Å; S387-V397 PolarHBondContact OG-N 2.94Å; T388-V397 HydrophobicContact CG2-CG2 3.73Å; E395-V397 HydrophobicContact CB-CG1 3.9Å; E395-V397 HydrophobicContact CG-CG1 3.62Å; V397-F399 VanDerWaalsContact C-CE2 3.47Å; V397-F399 WeakPolarHBondContact O-CD2 3.25Å; V397-F399 VanDerWaalsContact O-CE2 3.24Å; V397-F399 WeakPolarHBondContact O-CE2 3.48Å
398	D	98.6	Very high	83.9	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	138.5	176.1	-59.5	-82.3	0	0	0	110.2	T94 G285 S387 L396 H448 L451	T94-D398 HydrophobicContact CG2-CB 4.43Å; G285-D398 WeakPolarHBondContact O-CA 3.37Å; S387-D398 WeakPolarHBondContact CB-OD2 3.42Å; S387-D398 PolarHBondContact OG-N 3.09Å; S387-D398 PolarHBondContact OG-OD2 2.96Å; L396-D398 WeakPolarHBondContact CD1-O 2.9Å; D398-H448 IonicContact OD1-ND1 3.94Å; D398-H448 IonicContact OD2-CE1 3.77Å; D398-H448 IonicContact OD2-CG 3.96Å; D398-H448 IonicContact OD2-ND1 3.84Å; D398-H448 PolarHBondContact OD2-ND1 2.82Å; D398-L451 HydrophobicContact CB-CD1 3.85Å; D398-L451 HydrophobicContact CB-CG 4.24Å; D398-L451 WeakPolarHBondContact O-CD1 3.49Å
399	F	98.3	Very high	81.3	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	152.8	-178.1	-60.4	-90.1	0	0	0	112.5	C284 G285 M287 C289 P291 L377 L396 V397 F401	C284-F399 WeakPolarHBondContact CA-O 3.38Å; G285-F399 PolarHBondContact N-O 3.2Å; G285-F399 PolarHBondContact O-N 3.35Å; M287-F399 HydrophobicContact CB-CD2 3.76Å; M287-F399 HydrophobicContact CB-CE2 4.02Å; M287-F399 HydrophobicContact CG-CB 4.33Å; M287-F399 HydrophobicContact CG-CD2 3.51Å; M287-F399 HydrophobicContact CG-CE2 4.26Å; M287-F399 HydrophobicContact CG-CG 4.31Å; C289-F399 WeakPolarHBondContact O-CE2 3.41Å; P291-F399 HydrophobicContact CB-CE1 4.41Å; P291-F399 HydrophobicContact CG-CE1 4.05Å; P291-F399 HydrophobicContact CG-CZ 4.11Å; L377-F399 HydrophobicContact CD2-CD1 4.14Å; L377-F399 HydrophobicContact CD2-CE1 3.89Å; L396-F399 HydrophobicContact CG-CE1 4.33Å; L396-F399 HydrophobicContact CG-CZ 4.43Å; V397-F399 VanDerWaalsContact C-CE2 3.47Å; V397-F399 WeakPolarHBondContact O-CD2 3.25Å; V397-F399 VanDerWaalsContact O-CE2 3.24Å; V397-F399 WeakPolarHBondContact O-CE2 3.48Å; F399-F401 HydrophobicContact CB-CD2 3.78Å; F399-F401 HydrophobicContact CB-CE2 3.24Å; F399-F401 HydrophobicContact CB-CZ 3.89Å; F399-F401 HydrophobicContact CD1-CE2 4.02Å; F399-F401 AromaticContact CD1-CZ 3.77Å; F399-F401 HydrophobicContact CD1-CZ 3.77Å; F399-F401 HydrophobicContact CD2-CE2 4.31Å; F399-F401 AromaticContact CG-CE2 3.61Å; F399-F401 HydrophobicContact CG-CE2 3.61Å; F399-F401 AromaticContact CG-CZ 3.86Å; F399-F401 HydrophobicContact CG-CZ 3.86Å
400	I	98.5	Very high	79.1	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	106.9	162	-56.3	179.5	0	0	0	106.5	T94 V282 L283 A374 F375 L451 A453 F455	T94-I400 HydrophobicContact CG2-CD1 4.15Å; T94-I400 HydrophobicContact CG2-CG1 3.62Å; V282-I400 HydrophobicContact CG1-CG2 3.76Å; L283-I400 WeakPolarHBondContact O-CA 3.39Å; A374-I400 HydrophobicContact CB-CB 3.97Å; A374-I400 HydrophobicContact CB-CG2 4.02Å; A374-I400 VanDerWaalsContact CB-O 3.24Å; A374-I400 WeakPolarHBondContact CB-O 3.41Å; A374-I400 PolarHBondContact N-O 2.58Å; F375-I400 HydrophobicContact CE2-CB 4.12Å; F375-I400 HydrophobicContact CE2-CD1 4.11Å; F375-I400 HydrophobicContact CE2-CG1 4.11Å; I400-L451 HydrophobicContact CD1-CB 4.43Å; I400-A453 HydrophobicContact CD1-CB 3.88Å; I400-A453 HydrophobicContact CG2-CB 4.24Å; I400-F455 HydrophobicContact CG2-CE2 4.26Å; I400-F455 HydrophobicContact CG2-CZ 3.96Å
401	F	97.8	Very high	77.2	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	152.2	167.9	-62.7	-82.3	0	0	0	109.9	V282 L283 M287 L299 T300 L371 S372 L377 F399	V282-F401 CarbonylContact C-O 3.48Å; V282-F401 WeakPolarHBondContact CA-O 3.46Å; L283-F401 HydrophobicContact CB-CB 4.21Å; L283-F401 HydrophobicContact CD2-CD2 4.47Å; L283-F401 PolarHBondContact N-O 2.89Å; L283-F401 PolarHBondContact O-N 3.3Å; M287-F401 HydrophobicContact CE-CD2 4.32Å; M287-F401 HydrophobicContact CE-CE2 4.44Å; L299-F401 HydrophobicContact CB-CE1 4.47Å; L299-F401 HydrophobicContact CB-CZ 4.5Å; L299-F401 HydrophobicContact CD1-CD2 4.06Å; L299-F401 HydrophobicContact CD1-CE2 3.54Å; L299-F401 HydrophobicContact CD1-CZ 3.88Å; T300-F401 HydrophobicContact CG2-CD1 4.24Å; T300-F401 HydrophobicContact CG2-CE1 3.8Å; L371-F401 HydrophobicContact CB-CB 4.34Å; S372-F401 CarbonylContact O-C 3.51Å; S372-F401 VanDerWaalsContact O-CA 3.26Å; S372-F401 WeakPolarHBondContact O-CA 3.49Å; L377-F401 HydrophobicContact CD1-CE1 4.4Å; F399-F401 HydrophobicContact CB-CD2 3.78Å; F399-F401 HydrophobicContact CB-CE2 3.24Å; F399-F401 HydrophobicContact CB-CZ 3.89Å; F399-F401 HydrophobicContact CD1-CE2 4.02Å; F399-F401 AromaticContact CD1-CZ 3.77Å; F399-F401 HydrophobicContact CD1-CZ 3.77Å; F399-F401 HydrophobicContact CD2-CE2 4.31Å; F399-F401 AromaticContact CG-CE2 3.61Å; F399-F401 HydrophobicContact CG-CE2 3.61Å; F399-F401 AromaticContact CG-CZ 3.86Å; F399-F401 HydrophobicContact CG-CZ 3.86Å
402	Y	96.2	Very high	75.4	Confident	26 Å²	26	48.4 Å²	48.4	10%	0.102	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	154.7	175	72.5	-77.9	0	0	0	110.3	I281 L371 S372 A374 L418 C420 F455	I281-Y402 WeakPolarHBondContact O-CA 3.35Å; I281-Y402 WeakPolarHBondContact O-CB 3.47Å; L371-Y402 CarbonylContact C-O 3.52Å; L371-Y402 WeakPolarHBondContact CA-O 3.35Å; S372-Y402 PolarHBondContact N-O 2.71Å; S372-Y402 VanDerWaalsContact O-CD1 3.32Å; S372-Y402 WeakPolarHBondContact O-CD1 3.32Å; S372-Y402 PolarHBondContact O-N 3.26Å; A374-Y402 HydrophobicContact CB-CD1 4.33Å; Y402-L418 WeakPolarHBondContact CD2-O 3.36Å; Y402-L418 WeakPolarHBondContact CE2-O 3.33Å; Y402-C420 HydrophobicContact CD1-CB 4.05Å; Y402-C420 HydrophobicContact CE1-CB 3.44Å; Y402-C420 VanDerWaalsContact CE1-CB 3.44Å; Y402-C420 HydrophobicContact CE2-CB 4.12Å; Y402-C420 VanDerWaalsContact CZ-CB 3.49Å; Y402-F455 AromaticContact CD1-CE1 3.89Å; Y402-F455 HydrophobicContact CD1-CE1 3.89Å; Y402-F455 HydrophobicContact CD1-CZ 4.38Å; Y402-F455 AromaticContact CD2-CE1 3.97Å; Y402-F455 HydrophobicContact CD2-CE1 3.97Å; Y402-F455 AromaticContact CG-CE1 3.56Å; Y402-F455 HydrophobicContact CG-CE1 3.56Å; Y402-F455 HydrophobicContact CG-CZ 4.28Å
403	G	88.4	Confident	74.1	Confident	2 Å²	2	48.3 Å²	48.3	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	149.2	178.1	0	0	0	0	0	112.4	I281 S370	I281-G403 PolarHBondContact N-O 3.06Å; I281-G403 PolarHBondContact O-N 3.46Å; I281-G403 VanDerWaalsContact O-N 3.11Å; S370-G403 WeakPolarHBondContact O-CA 3.41Å
404	P	75.1	Confident	72.8	Confident	40 Å²	40	47.7 Å²	47.7	26%	0.26	25%	0.249	S	C	.	.			trans	-70.9	171.7	173.8	32.2	-34.9	0	0	0	111.5	S370 Y406	S370-P404 WeakPolarHBondContact O-CD 3.38Å; P404-Y406 VanDerWaalsContact C-N 3.32Å; P404-Y406 PolarHBondContact O-N 3.14Å
405	S	60.6	Low	71.8	Confident	13 Å²	13	50.4 Å²	50.4	9%	0.091	26%	0.259	C	S	.	.	S	Bend	trans	-54.1	-44.8	176.6	169.5	0	0	0	0	112.5	C278	C278-S405 WeakPolarHBondContact CB-O 3.43Å; C278-S405 PolarHBondContact N-OG 3.34Å; C278-S405 VanDerWaalsContact N-OG 3.17Å; C278-S405 WeakPolarHBondContact O-CA 3.28Å; C278-S405 WeakPolarHBondContact O-CB 3.38Å; C278-S405 PolarHBondContact O-OG 3.09Å
406	Y	53.5	Low	71.3	Confident	140 Å²	140	49.3 Å²	49.3	55%	0.549	25%	0.254	S	S	.	.			trans	-170	145	-177.7	-144.9	-120.1	0	0	0	110.8	P404 D408	P404-Y406 VanDerWaalsContact C-N 3.32Å; P404-Y406 PolarHBondContact O-N 3.14Å; Y406-D408 HydrophobicContact CD1-CB 3.32Å; Y406-D408 HydrophobicContact CE1-CB 3.25Å
407	N	47	Very low	70.9	Confident	103 Å²	103	49.9 Å²	49.9	55%	0.551	26%	0.257	S	S	*	.	S	Bend	trans	-87.8	-10.2	174.2	-83.1	3.3	0	0	0	113.9	S370 I409	S370-N407 VanDerWaalsContact CB-ND2 3.28Å; S370-N407 WeakPolarHBondContact CB-ND2 3.49Å; S370-N407 PolarHBondContact OG-ND2 2.98Å; N407-I409 VanDerWaalsContact C-N 3.34Å; N407-I409 PolarHBondContact O-N 3.29Å
408	D	47.2	Very low	70.6	Confident	84 Å²	84	49.8 Å²	49.8	45%	0.449	26%	0.256	S	S	.	.			trans	-76.3	93.4	-178.8	-153.4	-21.8	0	0	0	109.7	Y406 S410 T411	Y406-D408 HydrophobicContact CD1-CB 3.32Å; Y406-D408 HydrophobicContact CE1-CB 3.25Å; D408-S410 PolarHBondContact O-N 3Å; D408-S410 WeakPolarHBondContact OD1-CB 3.41Å; D408-S410 PolarHBondContact OD1-N 3.01Å; D408-S410 PolarHBondContact OD1-OG 2.83Å; D408-T411 PolarHBondContact O-N 3.44Å; D408-T411 PolarHBondContact O-OG1 3.14Å
409	I	41.6	Very low	70.2	Confident	138 Å²	138	50 Å²	50	71%	0.708	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-22.8	179.7	-66.3	163	0	0	0	111.5	N407 T411 K415	N407-I409 VanDerWaalsContact C-N 3.34Å; N407-I409 PolarHBondContact O-N 3.29Å; I409-T411 VanDerWaalsContact C-N 3.29Å; I409-T411 PolarHBondContact O-N 2.86Å; I409-K415 PolarHBondContact O-NZ 2.73Å
410	S	45.5	Very low	70	Confident	85 Å²	85	49.9 Å²	49.9	59%	0.594	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.1	-176	63.7	0	0	0	0	114.9	D408 Q412	D408-S410 PolarHBondContact O-N 3Å; D408-S410 WeakPolarHBondContact OD1-CB 3.41Å; D408-S410 PolarHBondContact OD1-N 3.01Å; D408-S410 PolarHBondContact OD1-OG 2.83Å; S410-Q412 PolarHBondContact O-N 2.95Å
411	T	50.4	Low	69.7	Low	57 Å²	57	50 Å²	50	35%	0.35	26%	0.258	S	S	.	.			trans	-92.5	97.8	178.6	54	0	0	0	0	110.1	D408 I409 K415	D408-T411 PolarHBondContact O-N 3.44Å; D408-T411 PolarHBondContact O-OG1 3.14Å; I409-T411 VanDerWaalsContact C-N 3.29Å; I409-T411 PolarHBondContact O-N 2.86Å; T411-K415 WeakPolarHBondContact O-CE 3.46Å
412	Q	46	Very low	69.6	Low	154 Å²	154	50 Å²	50	72%	0.72	26%	0.258	S	S	*	.			trans	-72.6	-29.6	-171.8	-76.3	179.3	-15.4	0	0	113.7	S410 K414	S410-Q412 PolarHBondContact O-N 2.95Å; Q412-K414 PolarHBondContact O-N 3.18Å
413	S	46.8	Very low	69.6	Low	32 Å²	32	49.6 Å²	49.6	22%	0.224	26%	0.257	C	S	.	.	S	Bend	trans	-77.4	-17.5	-148.6	86.9	0	0	0	0	118.3	N273 E275	N273-S413 PolarHBondContact ND2-OG 3.42Å; E275-S413 PolarHBondContact OE2-OG 2.84Å
414	K	56.8	Low	69.9	Low	74 Å²	74	49.5 Å²	49.5	32%	0.322	26%	0.256	S	S	.	.			trans	-159.4	104.1	172.5	-65.8	-167.9	-177	175.6	0	111.6	L271 F277 Q412	L271-K414 HydrophobicContact CD1-CB 4.08Å; L271-K414 HydrophobicContact CD1-CD 4.25Å; L271-K414 HydrophobicContact CD1-CG 4.26Å; L271-K414 HydrophobicContact CD2-CD 4.39Å; F277-K414 WeakPolarHBondContact CE2-O 3.22Å; Q412-K414 PolarHBondContact O-N 3.18Å
415	K	72.6	Confident	70.8	Confident	72 Å²	72	47.9 Å²	47.9	31%	0.313	25%	0.246	S	C	.	.			trans	-102.5	120.8	175.7	-65.1	178.1	-176.9	177.4	0	110.4	I409 T411 L460	I409-K415 PolarHBondContact O-NZ 2.73Å; T411-K415 WeakPolarHBondContact O-CE 3.46Å; K415-L460 HydrophobicContact CB-CB 4.05Å; K415-L460 HydrophobicContact CB-CD1 3.5Å; K415-L460 HydrophobicContact CB-CG 3.98Å; K415-L460 HydrophobicContact CD-CD1 4.02Å; K415-L460 HydrophobicContact CG-CD1 4.37Å; K415-L460 PolarHBondContact O-N 3.34Å
416	V	83.8	Confident	72.4	Confident	6 Å²	6	48.4 Å²	48.4	4%	0.036	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	139	163.9	-60.4	0	0	0	0	108.7	F277 P280 Y457 F458	F277-V416 HydrophobicContact CE1-CG2 4.24Å; F277-V416 HydrophobicContact CE2-CG1 4.41Å; F277-V416 HydrophobicContact CE2-CG2 4.02Å; F277-V416 HydrophobicContact CZ-CB 4.23Å; F277-V416 HydrophobicContact CZ-CG1 3.88Å; F277-V416 HydrophobicContact CZ-CG2 3.36Å; P280-V416 HydrophobicContact CG-CB 4.48Å; P280-V416 HydrophobicContact CG-CG2 3.55Å; V416-Y457 HydrophobicContact CB-CE1 4.06Å; V416-Y457 HydrophobicContact CG1-CE1 4.03Å; V416-Y457 WeakPolarHBondContact CG1-OH 3.27Å; V416-F458 VanDerWaalsContact CA-O 3.29Å; V416-F458 WeakPolarHBondContact CA-O 3.49Å
417	I	86.5	Confident	74.3	Confident	15 Å²	15	42 Å²	42	8%	0.077	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.5	178.9	-61.6	-178.7	0	0	0	107.9	H78 L82 N419 F458 L460	H78-I417 HydrophobicContact CB-CD1 4.42Å; L82-I417 HydrophobicContact CD2-CD1 4.37Å; I417-N419 VanDerWaalsContact CG2-CG 3.45Å; I417-N419 WeakPolarHBondContact CG2-OD1 3.29Å; I417-F458 HydrophobicContact CB-CB 4.35Å; I417-F458 PolarHBondContact N-O 3.35Å; I417-F458 PolarHBondContact O-N 3.23Å; I417-L460 HydrophobicContact CD1-CD1 3.68Å; I417-L460 HydrophobicContact CD1-CD2 3.89Å; I417-L460 HydrophobicContact CD1-CG 3.94Å; I417-L460 HydrophobicContact CG1-CD1 4.22Å; I417-L460 HydrophobicContact CG1-CG 4.28Å
418	L	91.5	Very high	76.5	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	109.4	167.5	-177.9	69.4	0	0	0	107.7	F90 V235 P280 V282 Y402 F455 Y457	F90-L418 HydrophobicContact CE1-CD1 3.89Å; F90-L418 HydrophobicContact CZ-CD1 3.66Å; V235-L418 HydrophobicContact CG2-CD2 4.22Å; P280-L418 HydrophobicContact CB-CB 3.66Å; P280-L418 HydrophobicContact CB-CD2 3.93Å; P280-L418 HydrophobicContact CB-CG 4.38Å; P280-L418 HydrophobicContact CG-CB 4.24Å; V282-L418 HydrophobicContact CG2-CD2 3.66Å; Y402-L418 WeakPolarHBondContact CD2-O 3.36Å; Y402-L418 WeakPolarHBondContact CE2-O 3.33Å; L418-F455 HydrophobicContact CD1-CB 3.8Å; L418-F455 HydrophobicContact CD1-CD1 4.11Å; L418-F455 HydrophobicContact CD1-CG 4.22Å; L418-F455 HydrophobicContact CD2-CD1 4.22Å; L418-F455 HydrophobicContact CG-CD1 3.87Å; L418-F455 HydrophobicContact CG-CG 4.45Å; L418-Y457 HydrophobicContact CD1-CD2 4.21Å
419	N	90.8	Very high	78.7	Confident	5 Å²	5	37.6 Å²	37.6	3%	0.027	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.1	-178.2	-80.8	-18.7	0	0	0	110.4	T76 L82 I417 T421 F455 E456 F458	T76-N419 HydrophobicContact CG2-CB 4.34Å; L82-N419 WeakPolarHBondContact CD1-ND2 3.35Å; I417-N419 VanDerWaalsContact CG2-CG 3.45Å; I417-N419 WeakPolarHBondContact CG2-OD1 3.29Å; N419-T421 HydrophobicContact CB-CG2 4.43Å; N419-T421 PolarHBondContact O-N 3.15Å; N419-F455 CarbonylContact O-C 3.48Å; N419-F455 VanDerWaalsContact O-CA 3.23Å; N419-F455 WeakPolarHBondContact O-CA 3.42Å; N419-E456 PolarHBondContact N-O 3.24Å; N419-E456 PolarHBondContact O-N 3.1Å; N419-F458 HydrophobicContact CB-CE2 4.33Å
420	C	93.3	Very high	81.1	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	117.2	163.4	-176	0	0	0	0	108.6	T76 Y402 H454 F455	T76-C420 WeakPolarHBondContact CG2-O 3.42Å; Y402-C420 HydrophobicContact CD1-CB 4.05Å; Y402-C420 HydrophobicContact CE1-CB 3.44Å; Y402-C420 VanDerWaalsContact CE1-CB 3.44Å; Y402-C420 HydrophobicContact CE2-CB 4.12Å; Y402-C420 VanDerWaalsContact CZ-CB 3.49Å; C420-H454 CarbonylContact C-O 3.55Å; C420-H454 WeakPolarHBondContact CA-O 3.34Å; C420-F455 HydrophobicContact CB-CD1 4.08Å; C420-F455 HydrophobicContact CB-CE1 3.71Å; C420-F455 HydrophobicContact CB-CZ 4.41Å
421	T	92.7	Very high	83.4	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-19.1	-176.4	66	0	0	0	0	113.3	V74 N419 H454 E456	V74-T421 PolarHBondContact N-O 3.44Å; N419-T421 HydrophobicContact CB-CG2 4.43Å; N419-T421 PolarHBondContact O-N 3.15Å; T421-H454 PolarHBondContact N-O 3.3Å; T421-H454 PolarHBondContact OG1-ND1 3.47Å; T421-E456 HydrophobicContact CG2-CB 4.02Å; T421-E456 HydrophobicContact CG2-CG 3.74Å
422	A	94.9	Very high	85.4	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	152.8	175.1	0	0	0	0	0	110.3	F50 W71 R72 A453 H454	F50-A422 HydrophobicContact CB-CB 4.26Å; F50-A422 HydrophobicContact CD2-CB 3.67Å; F50-A422 HydrophobicContact CE2-CB 4.37Å; F50-A422 HydrophobicContact CG-CB 4.11Å; W71-A422 HydrophobicContact CE3-CB 3.96Å; R72-A422 CarbonylContact O-C 3.52Å; R72-A422 WeakPolarHBondContact O-CA 3.27Å; R72-A422 WeakPolarHBondContact O-CB 3.07Å; A422-A453 CarbonylContact O-C 3.52Å; A422-A453 WeakPolarHBondContact O-CA 3.45Å; A422-H454 HydrophobicContact CB-CB 4.22Å; A422-H454 PolarHBondContact O-N 3.13Å
423	N	95.9	Very high	87.6	Confident	16 Å²	16	29.1 Å²	29.1	9%	0.086	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	162.4	171.6	63.4	37.6	0	0	0	110.5	W71 R72 V74 A374 F375 L452	W71-N423 CarbonylContact C-O 3.52Å; W71-N423 WeakPolarHBondContact CA-O 3.46Å; R72-N423 PolarHBondContact N-O 3.01Å; R72-N423 PolarHBondContact O-N 2.84Å; V74-N423 HydrophobicContact CG2-CB 4.22Å; V74-N423 VanDerWaalsContact CG2-ND2 3.31Å; V74-N423 WeakPolarHBondContact CG2-ND2 3.48Å; A374-N423 WeakPolarHBondContact O-CB 3.01Å; A374-N423 PolarHBondContact O-ND2 3.49Å; F375-N423 HydrophobicContact CD1-CB 4.06Å; F375-N423 HydrophobicContact CE1-CB 3.82Å; F375-N423 HydrophobicContact CZ-CB 4.12Å; N423-L452 CarbonylContact C-O 3.45Å; N423-L452 VanDerWaalsContact CA-O 3.29Å; N423-L452 WeakPolarHBondContact CA-O 3.48Å
424	S	95.6	Very high	89.8	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	133.7	170.5	55.4	0	0	0	0	110.2	C56 R69 F375 L426 L452	C56-S424 VanDerWaalsContact SG-CA 3.56Å; C56-S424 WeakPolarHBondContact SG-CB 3.48Å; R69-S424 PolarHBondContact NH2-OG 3.18Å; F375-S424 VanDerWaalsContact CE1-O 3.27Å; F375-S424 WeakPolarHBondContact CE1-O 3.48Å; S424-L426 PolarHBondContact O-N 2.92Å; S424-L452 PolarHBondContact N-O 2.98Å; S424-L452 PolarHBondContact OG-N 3.2Å; S424-L452 PolarHBondContact OG-O 3.14Å
425	S	94.1	Very high	91.5	Very high	6 Å²	6	32.3 Å²	32.3	4%	0.042	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-56	141.6	170.9	66	0	0	0	0	110.8	R69 T70 R72	R69-S425 WeakPolarHBondContact CA-OG 3.4Å; R69-S425 WeakPolarHBondContact CB-OG 3.32Å; R69-S425 PolarHBondContact NE-O 3.14Å; R69-S425 PolarHBondContact NH2-O 3.28Å; T70-S425 PolarHBondContact N-OG 3.28Å; T70-S425 WeakPolarHBondContact O-CB 3.46Å; T70-S425 PolarHBondContact O-N 3.27Å; T70-S425 PolarHBondContact O-OG 2.86Å; R72-S425 VanDerWaalsContact NE-CB 3.27Å
426	L	94.2	Very high	92.5	Very high	25 Å²	25	29.6 Å²	29.6	13%	0.131	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-87.3	157.5	175.1	-57.4	177.4	0	0	0	110.4	F375 P385 L396 S424 L451	F375-L426 HydrophobicContact CB-CD1 4.48Å; F375-L426 HydrophobicContact CD1-CD1 4Å; F375-L426 HydrophobicContact CD1-CD2 3.75Å; F375-L426 HydrophobicContact CD1-CG 3.93Å; F375-L426 HydrophobicContact CE1-CD2 3.75Å; F375-L426 HydrophobicContact CE1-CG 4.34Å; P385-L426 HydrophobicContact CB-CB 3.59Å; P385-L426 HydrophobicContact CB-CD1 3.54Å; P385-L426 HydrophobicContact CB-CG 4.18Å; P385-L426 HydrophobicContact CG-CD1 3.99Å; L396-L426 HydrophobicContact CD2-CD1 3.92Å; S424-L426 PolarHBondContact O-N 2.92Å; L426-L451 HydrophobicContact CD2-CD2 3.38Å
427	L	93.4	Very high	92.9	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	157.2	174.4	-61.7	-177.3	0	0	0	110	I60 V67 R69 P385 V386 I432 L449	I60-L427 HydrophobicContact CD1-CD1 4.31Å; I60-L427 HydrophobicContact CG2-CD1 4.01Å; V67-L427 HydrophobicContact CG2-CD1 3.95Å; V67-L427 HydrophobicContact CG2-CD2 3.39Å; V67-L427 HydrophobicContact CG2-CG 4.31Å; R69-L427 HydrophobicContact CG-CD1 3.98Å; R69-L427 HydrophobicContact CG-CD2 3.68Å; R69-L427 HydrophobicContact CG-CG 3.7Å; P385-L427 CarbonylContact C-O 3.58Å; P385-L427 WeakPolarHBondContact CA-O 3.19Å; V386-L427 PolarHBondContact N-O 3.44Å; L427-I432 HydrophobicContact CB-CD1 4.26Å; L427-I432 HydrophobicContact CB-CG1 4.05Å; L427-I432 HydrophobicContact CD1-CG1 4.05Å; L427-L449 HydrophobicContact CB-CD1 4.3Å; L427-L449 HydrophobicContact CD1-CD1 4.11Å; L427-L449 HydrophobicContact CG-CD1 4.45Å
428	T	93.4	Very high	93.3	Very high	26 Å²	26	31.2 Å²	31.2	16%	0.16	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	161	169	60.4	0	0	0	0	110.6	T430 Q431 I432	T428-T430 VanDerWaalsContact C-N 3.29Å; T428-T430 PolarHBondContact O-N 3.05Å; T428-Q431 PolarHBondContact O-N 2.91Å; T428-Q431 VanDerWaalsContact OG1-CG 3.29Å; T428-Q431 WeakPolarHBondContact OG1-CG 3.47Å; T428-Q431 PolarHBondContact OG1-N 3.31Å; T428-Q431 PolarHBondContact OG1-OE1 3.01Å; T428-Q431 VanDerWaalsContact OG1-OE1 3.05Å; T428-I432 WeakPolarHBondContact O-CG1 3.48Å; T428-I432 PolarHBondContact O-N 2.67Å
429	E	92.5	Very high	93.5	Very high	69 Å²	69	31.3 Å²	31.3	32%	0.322	17%	0.173	S	C	.	.	H	α-helix	trans	-54.1	-46.1	172.6	-176	176.6	165.4	0	0	112	V386 M389 S394 Q431 I432 M433	V386-E429 HydrophobicContact CG1-CB 4.34Å; M389-E429 HydrophobicContact SD-CG 4.15Å; S394-E429 WeakPolarHBondContact CB-OE2 3.5Å; S394-E429 WeakPolarHBondContact OG-CB 3.24Å; S394-E429 PolarHBondContact OG-OE2 3.05Å; E429-Q431 VanDerWaalsContact C-N 3.32Å; E429-Q431 PolarHBondContact O-N 3.29Å; E429-I432 PolarHBondContact O-N 3.23Å; E429-I432 VanDerWaalsContact O-N 3.15Å; E429-M433 HydrophobicContact CG-CG 4.07Å; E429-M433 WeakPolarHBondContact O-CB 3.38Å; E429-M433 WeakPolarHBondContact O-CG 3.32Å; E429-M433 PolarHBondContact O-N 3.24Å
430	T	92.4	Very high	93.8	Very high	93 Å²	93	31.1 Å²	31.1	57%	0.571	17%	0.172	S	C	*	.	H	α-helix	trans	-59.1	-42.3	-179.9	-55.4	0	0	0	0	111.9	T428 N434	T428-T430 VanDerWaalsContact C-N 3.29Å; T428-T430 PolarHBondContact O-N 3.05Å; T430-N434 WeakPolarHBondContact CG2-ND2 3.47Å; T430-N434 WeakPolarHBondContact O-CB 3.37Å; T430-N434 VanDerWaalsContact O-CG 3.22Å; T430-N434 PolarHBondContact O-N 2.55Å; T430-N434 PolarHBondContact O-ND2 2.65Å
431	Q	93.2	Very high	93.9	Very high	85 Å²	85	31.6 Å²	31.6	40%	0.397	18%	0.175	S	C	.	.	H	α-helix	trans	-62.5	-43.5	176.6	-75.9	169.2	-46.4	0	0	111.8	V67 T428 E429 T435	V67-Q431 HydrophobicContact CG2-CB 4.38Å; T428-Q431 PolarHBondContact O-N 2.91Å; T428-Q431 VanDerWaalsContact OG1-CG 3.29Å; T428-Q431 WeakPolarHBondContact OG1-CG 3.47Å; T428-Q431 PolarHBondContact OG1-N 3.31Å; T428-Q431 PolarHBondContact OG1-OE1 3.01Å; T428-Q431 VanDerWaalsContact OG1-OE1 3.05Å; E429-Q431 VanDerWaalsContact C-N 3.32Å; E429-Q431 PolarHBondContact O-N 3.29Å; Q431-T435 WeakPolarHBondContact O-CB 3.44Å; Q431-T435 VanDerWaalsContact O-CG2 3.27Å; Q431-T435 WeakPolarHBondContact O-CG2 3.39Å; Q431-T435 PolarHBondContact O-N 3.4Å; Q431-T435 PolarHBondContact O-OG1 3.16Å
432	I	93.3	Very high	94.1	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-67.7	-50.3	-179.7	-60.1	170.6	0	0	0	110.4	I60 V386 M389 L427 T428 E429 N434 T435 V436 G437 L439 L449	I60-I432 HydrophobicContact CD1-CG2 4.49Å; V386-I432 HydrophobicContact CG2-CD1 3.38Å; M389-I432 HydrophobicContact CE-CB 4.31Å; M389-I432 HydrophobicContact CE-CG2 3.43Å; M389-I432 VanDerWaalsContact CE-CG2 3.43Å; M389-I432 HydrophobicContact SD-CB 4.47Å; M389-I432 HydrophobicContact SD-CG2 4.2Å; L427-I432 HydrophobicContact CB-CD1 4.26Å; L427-I432 HydrophobicContact CB-CG1 4.05Å; L427-I432 HydrophobicContact CD1-CG1 4.05Å; T428-I432 WeakPolarHBondContact O-CG1 3.48Å; T428-I432 PolarHBondContact O-N 2.67Å; E429-I432 PolarHBondContact O-N 3.23Å; E429-I432 VanDerWaalsContact O-N 3.15Å; I432-N434 PolarHBondContact O-N 3.1Å; I432-T435 PolarHBondContact O-N 3.16Å; I432-T435 VanDerWaalsContact O-N 3.16Å; I432-T435 PolarHBondContact O-OG1 3.16Å; I432-V436 HydrophobicContact CG2-CG2 3.6Å; I432-V436 PolarHBondContact O-N 2.9Å; I432-G437 PolarHBondContact O-N 2.8Å; I432-L439 HydrophobicContact CG2-CD1 4.25Å; I432-L439 HydrophobicContact CG2-CG 4.29Å; I432-L449 HydrophobicContact CD1-CD1 3.77Å
433	M	92.5	Very high	94.2	Very high	78 Å²	78	36.9 Å²	36.9	38%	0.384	20%	0.202	S	C	.	.	H	α-helix	trans	-64.5	-36.6	-176.5	-71.5	-58.5	-62.8	0	0	113	M389 E429 T435 P438	M389-M433 HydrophobicContact CE-CG 4.48Å; M389-M433 HydrophobicContact CE-SD 3.69Å; M389-M433 HydrophobicContact SD-CG 3.82Å; M389-M433 HydrophobicContact SD-SD 3.6Å; E429-M433 HydrophobicContact CG-CG 4.07Å; E429-M433 WeakPolarHBondContact O-CB 3.38Å; E429-M433 WeakPolarHBondContact O-CG 3.32Å; E429-M433 PolarHBondContact O-N 3.24Å; M433-T435 VanDerWaalsContact C-N 3.28Å; M433-T435 PolarHBondContact O-N 3.33Å; M433-P438 HydrophobicContact CE-CG 4.18Å; M433-P438 HydrophobicContact SD-CG 4.43Å
434	N	92.7	Very high	94.2	Very high	129 Å²	129	36.1 Å²	36.1	69%	0.69	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-8.7	178.4	-69.9	-11.9	0	0	0	113.9	T430 I432	T430-N434 WeakPolarHBondContact CG2-ND2 3.47Å; T430-N434 WeakPolarHBondContact O-CB 3.37Å; T430-N434 VanDerWaalsContact O-CG 3.22Å; T430-N434 PolarHBondContact O-N 2.55Å; T430-N434 PolarHBondContact O-ND2 2.65Å; I432-N434 PolarHBondContact O-N 3.1Å
435	T	92.1	Very high	94.3	Very high	43 Å²	43	36.1 Å²	36.1	26%	0.264	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121	-62.9	-174	58.6	0	0	0	0	113.5	K65 V67 Q431 I432 M433	K65-T435 VanDerWaalsContact O-CB 3.3Å; K65-T435 WeakPolarHBondContact O-CB 3.41Å; K65-T435 WeakPolarHBondContact O-CG2 3.31Å; V67-T435 HydrophobicContact CB-CG2 3.99Å; V67-T435 HydrophobicContact CG1-CG2 3.93Å; V67-T435 WeakPolarHBondContact CG1-OG1 3.36Å; Q431-T435 WeakPolarHBondContact O-CB 3.44Å; Q431-T435 VanDerWaalsContact O-CG2 3.27Å; Q431-T435 WeakPolarHBondContact O-CG2 3.39Å; Q431-T435 PolarHBondContact O-N 3.4Å; Q431-T435 PolarHBondContact O-OG1 3.16Å; I432-T435 PolarHBondContact O-N 3.16Å; I432-T435 VanDerWaalsContact O-N 3.16Å; I432-T435 PolarHBondContact O-OG1 3.16Å; M433-T435 VanDerWaalsContact C-N 3.28Å; M433-T435 PolarHBondContact O-N 3.33Å
436	V	93.1	Very high	94.5	Very high	15 Å²	15	35.8 Å²	35.8	9%	0.091	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-17.9	-175.7	-62.3	0	0	0	0	112.7	I60 K65 I432 L439 N441 Y443	I60-V436 HydrophobicContact CD1-CG2 3.88Å; I60-V436 HydrophobicContact CG1-CG1 4.4Å; I60-V436 HydrophobicContact CG1-CG2 4.15Å; I60-V436 HydrophobicContact CG2-CG1 4.08Å; K65-V436 HydrophobicContact CB-CG1 3.89Å; K65-V436 HydrophobicContact CG-CG1 4.08Å; I432-V436 HydrophobicContact CG2-CG2 3.6Å; I432-V436 PolarHBondContact O-N 2.9Å; V436-L439 HydrophobicContact CG2-CD2 4.46Å; V436-N441 PolarHBondContact O-ND2 3.24Å; V436-N441 VanDerWaalsContact O-ND2 3.09Å; V436-Y443 HydrophobicContact CB-CD2 4.23Å; V436-Y443 HydrophobicContact CG1-CD2 4.17Å
437	G	93.3	Very high	94.6	Very high	13 Å²	13	35 Å²	35	13%	0.134	19%	0.192	C	C	.	.			trans	79.7	-163.3	179.7	0	0	0	0	0	113.4	M389 I432	M389-G437 WeakPolarHBondContact CE-O 3.36Å; I432-G437 PolarHBondContact O-N 2.8Å
438	P	94.5	Very high	94.8	Very high	42 Å²	42	35.3 Å²	35.3	27%	0.273	19%	0.193	S	C	.	.	S	Bend	trans	-52.7	153.3	179.3	-25.7	34.5	0	0	0	112.8	K112 M433 N441	K112-P438 HydrophobicContact CB-CB 4.35Å; K112-P438 HydrophobicContact CB-CG 4.08Å; M433-P438 HydrophobicContact CE-CG 4.18Å; M433-P438 HydrophobicContact SD-CG 4.43Å; P438-N441 VanDerWaalsContact O-CB 3.28Å; P438-N441 WeakPolarHBondContact O-CB 3.39Å; P438-N441 PolarHBondContact O-ND2 3.42Å
439	L	96	Very high	95	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	19%	0.186	C	C	.	.	S	Bend	trans	-115.1	146.9	176.7	-58	171.6	0	0	0	110.1	I60 C113 M389 I432 V436 N441 C444 D447 L449	I60-L439 HydrophobicContact CD1-CD2 4.37Å; C113-L439 PolarHBondContact SG-O 3.25Å; C113-L439 VanDerWaalsContact SG-O 3.34Å; M389-L439 HydrophobicContact CB-CD1 4.34Å; M389-L439 HydrophobicContact CE-CB 4.39Å; M389-L439 HydrophobicContact CE-CD1 4.13Å; M389-L439 HydrophobicContact CE-CG 3.78Å; I432-L439 HydrophobicContact CG2-CD1 4.25Å; I432-L439 HydrophobicContact CG2-CG 4.29Å; V436-L439 HydrophobicContact CG2-CD2 4.46Å; L439-N441 WeakPolarHBondContact CD2-ND2 3.18Å; L439-C444 HydrophobicContact CD2-CB 3.68Å; L439-D447 HydrophobicContact CB-CB 4.39Å; L439-L449 HydrophobicContact CD1-CD2 3.97Å
440	P	97	Very high	95.3	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	17%	0.171	C	C	.	.	S	Bend	cis	-67.1	157.9	-10.1	-16.4	30.7	0	0	0	113.1	L98 L118 C444	L98-P440 HydrophobicContact CD2-CG 3.82Å; L118-P440 HydrophobicContact CD2-CG 4.34Å; P440-C444 WeakPolarHBondContact CB-O 3.5Å
441	N	96.1	Very high	95.6	Very high	11 Å²	11	26.5 Å²	26.5	6%	0.059	14%	0.144	C	C	.	.			trans	-145.6	-163.9	-179.2	60.6	37	0	0	0	112.9	L126 V436 P438 L439 Y443 C444	L126-N441 WeakPolarHBondContact CD1-O 2.87Å; V436-N441 PolarHBondContact O-ND2 3.24Å; V436-N441 VanDerWaalsContact O-ND2 3.09Å; P438-N441 VanDerWaalsContact O-CB 3.28Å; P438-N441 WeakPolarHBondContact O-CB 3.39Å; P438-N441 PolarHBondContact O-ND2 3.42Å; L439-N441 WeakPolarHBondContact CD2-ND2 3.18Å; N441-Y443 PolarHBondContact O-N 3.1Å; N441-Y443 VanDerWaalsContact O-N 3.08Å; N441-Y443 PolarHBondContact OD1-N 3.43Å; N441-C444 PolarHBondContact N-O 3.3Å; N441-C444 PolarHBondContact OD1-N 3.09Å
442	A	96.8	Very high	95.8	Very high	33 Å²	33	22.5 Å²	22.5	27%	0.273	13%	0.125	S	C	.	.	S	Bend	trans	-61.5	-15.2	-178.8	0	0	0	0	0	114.4	H117	H117-A442 PolarHBondContact CE1-N 3.5Å; H117-A442 PolarHBondContact ND1-N 3.44Å
443	Y	95.9	Very high	96	Very high	80 Å²	80	22.4 Å²	22.4	31%	0.314	13%	0.125	S	C	.	.	S	Bend	trans	-118.8	-43.5	-172.4	-42.9	-70	0	0	0	112.1	A59 A63 K65 V436 N441	A59-Y443 WeakPolarHBondContact CB-O 3.34Å; A63-Y443 HydrophobicContact CB-CD1 3.66Å; A63-Y443 HydrophobicContact CB-CD2 4.26Å; A63-Y443 HydrophobicContact CB-CE1 4.39Å; A63-Y443 HydrophobicContact CB-CG 3.6Å; K65-Y443 WeakPolarHBondContact CE-OH 3.17Å; K65-Y443 HydrophobicContact CG-CE2 4.25Å; K65-Y443 PolarHBondContact NZ-OH 3.42Å; V436-Y443 HydrophobicContact CB-CD2 4.23Å; V436-Y443 HydrophobicContact CG1-CD2 4.17Å; N441-Y443 PolarHBondContact O-N 3.1Å; N441-Y443 VanDerWaalsContact O-N 3.08Å; N441-Y443 PolarHBondContact OD1-N 3.43Å
444	C	96.5	Very high	96.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.109	C	C	.	.			trans	-105	126	-179.1	-168.8	0	0	0	0	111	L439 P440 N441 S446	L439-C444 HydrophobicContact CD2-CB 3.68Å; P440-C444 WeakPolarHBondContact CB-O 3.5Å; N441-C444 PolarHBondContact N-O 3.3Å; N441-C444 PolarHBondContact OD1-N 3.09Å; C444-S446 PolarHBondContact SG-O 3.18Å
445	G	97.4	Very high	96.3	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-84.4	-6.1	-178.5	0	0	0	0	0	114.8	R123	R123-G445 VanDerWaalsContact CZ-O 3.29Å; R123-G445 PolarHBondContact NE-O 3.18Å; R123-G445 PolarHBondContact NH2-O 2.92Å
446	S	97.9	Very high	96.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	-123.7	160.1	177.7	-165	0	0	0	0	110.2	Y95 N96 C444 H448	Y95-S446 WeakPolarHBondContact OH-CB 3.3Å; N96-S446 PolarHBondContact O-OG 2.74Å; C444-S446 PolarHBondContact SG-O 3.18Å; S446-H448 VanDerWaalsContact C-N 3.32Å; S446-H448 PolarHBondContact OG-N 3.42Å
447	D	97.3	Very high	96.3	Very high	8 Å²	8	11.9 Å²	11.9	4%	0.043	7%	0.066	C	C	.	.	S	Bend	trans	-80.1	-14.3	164.6	58.9	-21.1	0	0	0	113	L98 Y110 T388 M389 V390 L439	L98-D447 VanDerWaalsContact CB-OD1 3.29Å; L98-D447 WeakPolarHBondContact CB-OD1 3.17Å; L98-D447 HydrophobicContact CD2-CB 4.29Å; L98-D447 WeakPolarHBondContact CD2-OD1 3.02Å; Y110-D447 HydrophobicContact CE1-CB 4.05Å; Y110-D447 PolarHBondContact OH-OD2 3.3Å; Y110-D447 VanDerWaalsContact OH-OD2 3.09Å; T388-D447 WeakPolarHBondContact CA-O 3.42Å; M389-D447 PolarHBondContact N-O 3.12Å; V390-D447 HydrophobicContact CG2-CB 3.87Å; V390-D447 WeakPolarHBondContact CG2-OD2 3.37Å; L439-D447 HydrophobicContact CB-CB 4.39Å
448	H	98	Very high	95.9	Very high	11 Å²	11	11.9 Å²	11.9	5%	0.051	6%	0.063	C	C	.	.	B	Isolated β-bridge	trans	-93.8	159.3	169.2	-69.4	-122.2	0	0	0	112.8	Y95 N96 D286 S387 T388 D398 S446	Y95-H448 HydrophobicContact CE2-CB 4.43Å; Y95-H448 WeakPolarHBondContact CE2-O 3.25Å; N96-H448 HydrophobicContact CB-CB 4Å; N96-H448 WeakPolarHBondContact O-CB 3.46Å; D286-H448 IonicContact OD2-CE1 3.86Å; D286-H448 PolarHBondContact OD2-CE1 2.82Å; D286-H448 VanDerWaalsContact OD2-CE1 3.27Å; D286-H448 IonicContact OD2-NE2 2.66Å; S387-H448 CarbonylContact O-C 3.43Å; S387-H448 WeakPolarHBondContact O-CA 3.12Å; S387-H448 WeakPolarHBondContact O-CB 3.35Å; T388-H448 VanDerWaalsContact CB-CE1 3.47Å; T388-H448 WeakPolarHBondContact CB-CE1 3.45Å; T388-H448 PolarHBondContact OG1-CD2 2.95Å; T388-H448 PolarHBondContact OG1-NE2 3.04Å; T388-H448 VanDerWaalsContact OG1-NE2 3.08Å; D398-H448 IonicContact OD1-ND1 3.94Å; D398-H448 IonicContact OD2-CE1 3.77Å; D398-H448 IonicContact OD2-CG 3.96Å; D398-H448 IonicContact OD2-ND1 3.84Å; D398-H448 PolarHBondContact OD2-ND1 2.82Å; S446-H448 VanDerWaalsContact C-N 3.32Å; S446-H448 PolarHBondContact OG-N 3.42Å
449	L	97.4	Very high	95.4	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.01	5%	0.054	C	C	.	.			trans	-105	136.7	170.4	-58.1	-174.8	0	0	0	110.1	I60 S387 L427 I432 L439 L451	I60-L449 HydrophobicContact CD1-CD1 4.43Å; I60-L449 HydrophobicContact CD1-CD2 3.38Å; I60-L449 HydrophobicContact CG1-CD2 4.3Å; S387-L449 PolarHBondContact O-N 2.96Å; L427-L449 HydrophobicContact CB-CD1 4.3Å; L427-L449 HydrophobicContact CD1-CD1 4.11Å; L427-L449 HydrophobicContact CG-CD1 4.45Å; I432-L449 HydrophobicContact CD1-CD1 3.77Å; L439-L449 HydrophobicContact CD1-CD2 3.97Å; L449-L451 PolarHBondContact O-N 3.33Å
450	P	98.3	Very high	94.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.			trans	-66.1	135.9	174.9	27.9	-34.8	0	0	0	110.4	D58 R69 T94 Y95 E130 L134	D58-P450 HydrophobicContact CB-CG 4.03Å; R69-P450 VanDerWaalsContact CZ-O 3.25Å; R69-P450 PolarHBondContact NH1-O 3.05Å; R69-P450 PolarHBondContact NH2-O 3.06Å; T94-P450 WeakPolarHBondContact O-CA 3.44Å; Y95-P450 HydrophobicContact CD1-CB 4.13Å; Y95-P450 HydrophobicContact CD2-CB 4.06Å; Y95-P450 HydrophobicContact CG-CB 3.84Å; E130-P450 WeakPolarHBondContact OE1-CG 3.42Å; L134-P450 HydrophobicContact CD1-CB 3.74Å; L134-P450 HydrophobicContact CD1-CG 3.84Å; L134-P450 HydrophobicContact CD2-CG 4.15Å
451	L	98.3	Very high	92.9	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	136.2	169.9	-60.6	-167.8	0	0	0	109.5	C93 T94 F375 L396 D398 I400 L426 L449	C93-L451 CarbonylContact C-O 3.55Å; C93-L451 VanDerWaalsContact CA-O 3.23Å; C93-L451 WeakPolarHBondContact CA-O 3.17Å; T94-L451 HydrophobicContact CG2-CB 3.77Å; T94-L451 HydrophobicContact CG2-CD1 4.47Å; T94-L451 HydrophobicContact CG2-CG 4.37Å; T94-L451 PolarHBondContact N-O 3.08Å; T94-L451 PolarHBondContact O-N 3.31Å; F375-L451 HydrophobicContact CD2-CD1 4.47Å; F375-L451 HydrophobicContact CE1-CB 4.45Å; F375-L451 HydrophobicContact CE1-CD2 4.43Å; F375-L451 HydrophobicContact CE2-CB 3.97Å; F375-L451 HydrophobicContact CE2-CD1 4.08Å; F375-L451 HydrophobicContact CZ-CB 3.63Å; F375-L451 HydrophobicContact CZ-CD1 4.21Å; F375-L451 HydrophobicContact CZ-CD2 4.39Å; F375-L451 HydrophobicContact CZ-CG 4.31Å; L396-L451 HydrophobicContact CD1-CD1 4.13Å; D398-L451 HydrophobicContact CB-CD1 3.85Å; D398-L451 HydrophobicContact CB-CG 4.24Å; D398-L451 WeakPolarHBondContact O-CD1 3.49Å; I400-L451 HydrophobicContact CD1-CB 4.43Å; L426-L451 HydrophobicContact CD2-CD2 3.38Å; L449-L451 PolarHBondContact O-N 3.33Å
452	L	98.2	Very high	91	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.6	178.8	-55.9	97.8	0	0	0	112.4	C56 W71 T91 V92 C93 L134 F375 N423 S424	C56-L452 HydrophobicContact CB-CD1 4.41Å; W71-L452 HydrophobicContact CH2-CB 3.47Å; W71-L452 VanDerWaalsContact CH2-CB 3.47Å; W71-L452 HydrophobicContact CH2-CD2 4.17Å; W71-L452 HydrophobicContact CH2-CG 4.44Å; W71-L452 HydrophobicContact CZ2-CB 4.07Å; W71-L452 HydrophobicContact CZ2-CD2 4.06Å; W71-L452 HydrophobicContact CZ3-CB 4.04Å; T91-L452 HydrophobicContact CG2-CB 4.49Å; T91-L452 HydrophobicContact CG2-CD2 4.17Å; V92-L452 WeakPolarHBondContact O-CA 3.3Å; C93-L452 HydrophobicContact CB-CD2 4.42Å; C93-L452 HydrophobicContact CB-CG 4.35Å; L134-L452 HydrophobicContact CB-CD2 4.37Å; L134-L452 HydrophobicContact CD2-CD1 3.87Å; L134-L452 HydrophobicContact CD2-CD2 4.05Å; L134-L452 HydrophobicContact CD2-CG 4.48Å; F375-L452 WeakPolarHBondContact CZ-O 3.25Å; N423-L452 CarbonylContact C-O 3.45Å; N423-L452 VanDerWaalsContact CA-O 3.29Å; N423-L452 WeakPolarHBondContact CA-O 3.48Å; S424-L452 PolarHBondContact N-O 2.98Å; S424-L452 PolarHBondContact OG-N 3.2Å; S424-L452 PolarHBondContact OG-O 3.14Å
453	A	97.6	Very high	90.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	136.7	173	0	0	0	0	0	110.4	T91 V92 A374 I400 A422 F455	T91-A453 CarbonylContact C-O 3.56Å; T91-A453 WeakPolarHBondContact CA-O 3.37Å; V92-A453 PolarHBondContact N-O 2.88Å; V92-A453 PolarHBondContact O-N 3.25Å; A374-A453 HydrophobicContact CB-CB 3.78Å; I400-A453 HydrophobicContact CD1-CB 3.88Å; I400-A453 HydrophobicContact CG2-CB 4.24Å; A422-A453 CarbonylContact O-C 3.52Å; A422-A453 WeakPolarHBondContact O-CA 3.45Å; A453-F455 HydrophobicContact CB-CD2 4.4Å; A453-F455 HydrophobicContact CB-CE2 3.57Å; A453-F455 HydrophobicContact CB-CZ 3.86Å
454	H	96.5	Very high	90.4	Very high	10 Å²	10	23.9 Å²	23.9	5%	0.046	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132.2	174	179.4	-90.4	0	0	0	110.2	F50 W71 C420 T421 A422	F50-H454 HydrophobicContact CD2-CB 4.37Å; F50-H454 HydrophobicContact CE2-CB 3.62Å; F50-H454 AromaticContact CE2-CD2 3.4Å; F50-H454 VanDerWaalsContact CE2-CD2 3.4Å; F50-H454 WeakPolarHBondContact CE2-CD2 3.47Å; F50-H454 AromaticContact CE2-CG 3.37Å; F50-H454 AromaticContact CE2-ND1 3.9Å; F50-H454 AromaticContact CE2-NE2 3.93Å; F50-H454 HydrophobicContact CZ-CB 4.15Å; F50-H454 AromaticContact CZ-CD2 3.74Å; W71-H454 HydrophobicContact CZ3-CB 4.15Å; C420-H454 CarbonylContact C-O 3.55Å; C420-H454 WeakPolarHBondContact CA-O 3.34Å; T421-H454 PolarHBondContact N-O 3.3Å; T421-H454 PolarHBondContact OG1-ND1 3.47Å; A422-H454 HydrophobicContact CB-CB 4.22Å; A422-H454 PolarHBondContact O-N 3.13Å
455	F	94.9	Very high	90.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	144	-178.4	-65.9	-84	0	0	0	112.4	S89 F90 V92 V282 I400 Y402 L418 N419 C420 A453	S89-F455 CarbonylContact C-O 3.6Å; S89-F455 WeakPolarHBondContact CA-O 3.35Å; F90-F455 HydrophobicContact CD1-CB 4.45Å; F90-F455 HydrophobicContact CD2-CB 4.28Å; F90-F455 HydrophobicContact CD2-CD2 4.44Å; F90-F455 HydrophobicContact CE1-CB 4.09Å; F90-F455 HydrophobicContact CE2-CB 3.9Å; F90-F455 AromaticContact CE2-CD2 3.99Å; F90-F455 HydrophobicContact CE2-CD2 3.99Å; F90-F455 HydrophobicContact CE2-CG 4.19Å; F90-F455 HydrophobicContact CZ-CB 3.81Å; F90-F455 HydrophobicContact CZ-CG 4.34Å; F90-F455 PolarHBondContact N-O 3Å; F90-F455 PolarHBondContact O-N 3.45Å; V92-F455 HydrophobicContact CB-CD2 4.35Å; V92-F455 HydrophobicContact CB-CE2 3.99Å; V92-F455 HydrophobicContact CG2-CD2 3.73Å; V92-F455 HydrophobicContact CG2-CE2 3.72Å; V282-F455 HydrophobicContact CG1-CE2 4.39Å; V282-F455 HydrophobicContact CG1-CZ 4.37Å; V282-F455 HydrophobicContact CG2-CE2 4.39Å; V282-F455 HydrophobicContact CG2-CZ 4.33Å; I400-F455 HydrophobicContact CG2-CE2 4.26Å; I400-F455 HydrophobicContact CG2-CZ 3.96Å; Y402-F455 AromaticContact CD1-CE1 3.89Å; Y402-F455 HydrophobicContact CD1-CE1 3.89Å; Y402-F455 HydrophobicContact CD1-CZ 4.38Å; Y402-F455 AromaticContact CD2-CE1 3.97Å; Y402-F455 HydrophobicContact CD2-CE1 3.97Å; Y402-F455 AromaticContact CG-CE1 3.56Å; Y402-F455 HydrophobicContact CG-CE1 3.56Å; Y402-F455 HydrophobicContact CG-CZ 4.28Å; L418-F455 HydrophobicContact CD1-CB 3.8Å; L418-F455 HydrophobicContact CD1-CD1 4.11Å; L418-F455 HydrophobicContact CD1-CG 4.22Å; L418-F455 HydrophobicContact CD2-CD1 4.22Å; L418-F455 HydrophobicContact CG-CD1 3.87Å; L418-F455 HydrophobicContact CG-CG 4.45Å; N419-F455 CarbonylContact O-C 3.48Å; N419-F455 VanDerWaalsContact O-CA 3.23Å; N419-F455 WeakPolarHBondContact O-CA 3.42Å; C420-F455 HydrophobicContact CB-CD1 4.08Å; C420-F455 HydrophobicContact CB-CE1 3.71Å; C420-F455 HydrophobicContact CB-CZ 4.41Å; A453-F455 HydrophobicContact CB-CD2 4.4Å; A453-F455 HydrophobicContact CB-CE2 3.57Å; A453-F455 HydrophobicContact CB-CZ 3.86Å
456	E	92.4	Very high	89.6	Confident	34 Å²	34	26.7 Å²	26.7	16%	0.159	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.5	167.6	-68.3	-174.8	160.1	0	0	109.4	A86 N419 T421 F458	A86-E456 HydrophobicContact CB-CB 4.09Å; A86-E456 HydrophobicContact CB-CG 4.42Å; N419-E456 PolarHBondContact N-O 3.24Å; N419-E456 PolarHBondContact O-N 3.1Å; T421-E456 HydrophobicContact CG2-CB 4.02Å; T421-E456 HydrophobicContact CG2-CG 3.74Å; E456-F458 HydrophobicContact CB-CD2 4.21Å; E456-F458 HydrophobicContact CB-CE2 3.34Å; E456-F458 HydrophobicContact CB-CZ 3.76Å; E456-F458 VanDerWaalsContact OE2-CZ 3.32Å; E456-F458 WeakPolarHBondContact OE2-CZ 3.05Å
457	Y	91.1	Very high	89.1	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	122.1	179	-168.9	-71.8	0	0	0	109.3	A86 L87 C88 L215 H233 Y234 P280 V416 L418	A86-Y457 CarbonylContact C-O 3.59Å; L87-Y457 HydrophobicContact CB-CD1 4.35Å; L87-Y457 HydrophobicContact CD1-CD1 4.14Å; L87-Y457 HydrophobicContact CD1-CE1 4.22Å; L87-Y457 PolarHBondContact N-O 2.78Å; C88-Y457 PolarHBondContact O-N 3.29Å; L215-Y457 HydrophobicContact CD2-CD1 4.03Å; L215-Y457 HydrophobicContact CD2-CD2 3.76Å; L215-Y457 HydrophobicContact CD2-CE1 4.48Å; L215-Y457 HydrophobicContact CD2-CE2 4.22Å; L215-Y457 HydrophobicContact CD2-CG 3.65Å; H233-Y457 HydrophobicContact CB-CE1 3.95Å; H233-Y457 AromaticContact CG-CE1 3.9Å; H233-Y457 AromaticContact ND1-CE1 3.46Å; H233-Y457 WeakPolarHBondContact ND1-CE1 3.43Å; H233-Y457 AromaticContact ND1-CZ 3.9Å; Y234-Y457 WeakPolarHBondContact O-CE2 3.41Å; P280-Y457 HydrophobicContact CG-CE2 3.87Å; V416-Y457 HydrophobicContact CB-CE1 4.06Å; V416-Y457 HydrophobicContact CG1-CE1 4.03Å; V416-Y457 WeakPolarHBondContact CG1-OH 3.27Å; L418-Y457 HydrophobicContact CD1-CD2 4.21Å
458	F	86.6	Confident	88.6	Confident	12 Å²	12	29.7 Å²	29.7	5%	0.053	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	149.1	179.3	-60.6	-93.6	0	0	0	111	L82 A86 V416 I417 N419 E456	L82-F458 HydrophobicContact CB-CE1 4.48Å; L82-F458 HydrophobicContact CD1-CD1 4.06Å; L82-F458 HydrophobicContact CD1-CD2 3.86Å; L82-F458 HydrophobicContact CD1-CE1 3.93Å; L82-F458 HydrophobicContact CD1-CE2 3.73Å; L82-F458 HydrophobicContact CD1-CG 4.02Å; L82-F458 HydrophobicContact CD1-CZ 3.77Å; L82-F458 HydrophobicContact CD2-CB 3.73Å; L82-F458 HydrophobicContact CD2-CD1 3.68Å; L82-F458 HydrophobicContact CD2-CD2 4.22Å; L82-F458 HydrophobicContact CD2-CE1 4.31Å; L82-F458 HydrophobicContact CD2-CG 3.62Å; L82-F458 HydrophobicContact CG-CD1 4.33Å; L82-F458 HydrophobicContact CG-CE1 4.49Å; L82-F458 HydrophobicContact CG-CG 4.45Å; A86-F458 VanDerWaalsContact CA-CE1 3.5Å; A86-F458 HydrophobicContact CB-CD1 4.06Å; A86-F458 HydrophobicContact CB-CE1 3.61Å; A86-F458 HydrophobicContact CB-CE2 4.35Å; A86-F458 HydrophobicContact CB-CZ 3.76Å; V416-F458 VanDerWaalsContact CA-O 3.29Å; V416-F458 WeakPolarHBondContact CA-O 3.49Å; I417-F458 HydrophobicContact CB-CB 4.35Å; I417-F458 PolarHBondContact N-O 3.35Å; I417-F458 PolarHBondContact O-N 3.23Å; N419-F458 HydrophobicContact CB-CE2 4.33Å; E456-F458 HydrophobicContact CB-CD2 4.21Å; E456-F458 HydrophobicContact CB-CE2 3.34Å; E456-F458 HydrophobicContact CB-CZ 3.76Å; E456-F458 VanDerWaalsContact OE2-CZ 3.32Å; E456-F458 WeakPolarHBondContact OE2-CZ 3.05Å
459	Q	82.4	Confident	87.9	Confident	20 Å²	20	31.1 Å²	31.1	9%	0.093	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.3	160.2	175.2	170.3	18	0	0	106.2	S84 L87 S221 H233	S84-Q459 PolarHBondContact OG-O 3.49Å; L87-Q459 HydrophobicContact CD1-CB 3.52Å; L87-Q459 HydrophobicContact CG-CB 4.22Å; S221-Q459 PolarHBondContact OG-OE1 2.98Å; H233-Q459 PolarHBondContact CE1-OE1 2.84Å; H233-Q459 PolarHBondContact NE2-OE1 3.04Å
460	L	74.6	Confident	87.2	Confident	41 Å²	41	33.3 Å²	33.3	22%	0.215	17%	0.167	C	C	.	.			trans	-74.1	134.5	169.1	-57.1	-177.3	0	0	0	107.9	L82 K415 I417	L82-L460 HydrophobicContact CD2-CD2 3.47Å; L82-L460 VanDerWaalsContact CD2-CD2 3.47Å; K415-L460 HydrophobicContact CB-CB 4.05Å; K415-L460 HydrophobicContact CB-CD1 3.5Å; K415-L460 HydrophobicContact CB-CG 3.98Å; K415-L460 HydrophobicContact CD-CD1 4.02Å; K415-L460 HydrophobicContact CG-CD1 4.37Å; K415-L460 PolarHBondContact O-N 3.34Å; I417-L460 HydrophobicContact CD1-CD1 3.68Å; I417-L460 HydrophobicContact CD1-CD2 3.89Å; I417-L460 HydrophobicContact CD1-CG 3.94Å; I417-L460 HydrophobicContact CG1-CD1 4.22Å; I417-L460 HydrophobicContact CG1-CG 4.28Å
461	E	66.1	Low	86.3	Confident	128 Å²	128	36.1 Å²	36.1	60%	0.598	18%	0.181	S	C	*	.			trans	-88.4	143.8	164.9	-63.1	-177.8	174.1	0	0	107.4
462	D	56.3	Low	85.2	Confident	187 Å²	187	39.3 Å²	39.3	100%	1	20%	0.197	S	C	*	.			trans	-63.2	0	176.5	-72.1	-25.4	0	0	0	112.2

Retrieved 462 of 462 residues in 602.9 ms (Link to these results)

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