A0A087XM96_POEFO Loading...

Hedgehog protein

The dually lipidated hedgehog protein N-product is a morphogen which is essential for a variety of patterning events during development. The C-terminal part of the hedgehog protein precursor displays an autoproteolysis activity that results in the cleavage of the full-length protein into two parts (N-product and C-product). In addition, the C-terminal part displays a cholesterol transferase activity that results by the covalent attachment of a cholesterol moiety to the C-terminal of the newly generated N-product.

AlphaFold DB , UniProt , Accession A0A087XM96, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 446 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.9	Very low	51.4	Low	245 Å²	245	165.5 Å²	165.5	100%	1.207	78%	0.782	S	S	*	*				0	108.5	0	-73.7	166.2	131.6	0	0	108.2
2	K	44.8	Very low	51.6	Low	209 Å²	209	161.9 Å²	161.9	91%	0.909	77%	0.77	S	S	*	*			trans	-95	110.6	-177.5	-68.6	-179.2	178.6	-179.8	0	108.4
3	Q	51	Low	51.9	Low	186 Å²	186	153.2 Å²	153.2	87%	0.869	75%	0.749	S	S	*	*			trans	-80.6	127.1	177	-77.4	-176	-18.5	0	0	110.4
4	F	50.1	Low	52.1	Low	175 Å²	175	151.2 Å²	151.2	77%	0.768	74%	0.743	S	S	*	*			trans	-68.8	123.6	-177	-94.9	-109.8	0	0	0	111.8	W6	F4-W6 AromaticContact CD1-CD1 3.9Å; F4-W6 PolarHBondContact O-N 3.16Å; F4-W6 VanDerWaalsContact O-N 3.16Å
5	W	52	Low	52.3	Low	240 Å²	240	149.7 Å²	149.7	91%	0.909	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-68.8	-2.7	179.6	-106.3	51.4	0	0	0	115.6
6	W	50.5	Low	52.6	Low	202 Å²	202	143.9 Å²	143.9	77%	0.765	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-83.9	-12.4	-173.4	-63.4	80.4	0	0	0	113.8	F4 R8	F4-W6 AromaticContact CD1-CD1 3.9Å; F4-W6 PolarHBondContact O-N 3.16Å; F4-W6 VanDerWaalsContact O-N 3.16Å; W6-R8 VanDerWaalsContact C-N 3.27Å; W6-R8 PolarHBondContact O-N 3.46Å
7	A	56.1	Low	52.6	Low	83 Å²	83	138.4 Å²	138.4	69%	0.686	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-74.1	-10.5	-176.1	0	0	0	0	0	114.8
8	R	54.4	Low	52.6	Low	224 Å²	224	136 Å²	136	85%	0.845	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-97.5	-5.8	179.3	-71.2	-165.6	174.1	-159	-0.8	114.9	W6	W6-R8 VanDerWaalsContact C-N 3.27Å; W6-R8 PolarHBondContact O-N 3.46Å
9	L	53.8	Low	52.8	Low	112 Å²	112	134.8 Å²	134.8	59%	0.586	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-14.8	178.2	-69.4	171	0	0	0	113.4	P11 L12 G13	L9-P11 VanDerWaalsContact C-CD 3.48Å; L9-L12 PolarHBondContact O-N 2.96Å; L9-G13 PolarHBondContact O-N 2.74Å
10	A	55.7	Low	52.9	Low	66 Å²	66	133.3 Å²	133.3	55%	0.545	70%	0.7	S	S	.	*	H	α-helix	trans	-61.1	-37.4	177.3	0	0	0	0	0	114.8	L14	A10-L14 PolarHBondContact O-N 3.09Å
11	P	55.8	Low	52.9	Low	79 Å²	79	134.1 Å²	134.1	51%	0.513	70%	0.704	S	S	.	*	H	α-helix	trans	-72.4	-30.6	179.6	-14.7	29.2	0	0	0	113.2	L9 L15	L9-P11 VanDerWaalsContact C-CD 3.48Å; P11-L15 PolarHBondContact O-N 3.43Å
12	L	54.2	Low	53.4	Low	122 Å²	122	124.9 Å²	124.9	64%	0.639	67%	0.672	S	S	*	*	H	α-helix	trans	-75.3	-34.4	179.8	-84.5	153.8	0	0	0	112	L9 A16	L9-L12 PolarHBondContact O-N 2.96Å; L12-A16 PolarHBondContact O-N 3.3Å
13	G	55.2	Low	53.8	Low	48 Å²	48	121.6 Å²	121.6	50%	0.495	67%	0.669	S	S	.	*	H	α-helix	trans	-66.8	-35.9	173.1	0	0	0	0	0	113.4	L9 A17	L9-G13 PolarHBondContact O-N 2.74Å; G13-A17 PolarHBondContact O-N 2.89Å
14	L	55.3	Low	54.1	Low	126 Å²	126	118.7 Å²	118.7	66%	0.66	66%	0.664	S	S	*	*	H	α-helix	trans	-72.4	-36.6	178.9	-123.7	99.1	0	0	0	112.6	A10 A17 C18	A10-L14 PolarHBondContact O-N 3.09Å; L14-A17 PolarHBondContact O-N 3.01Å; L14-C18 PolarHBondContact O-N 3.36Å; L14-C18 VanDerWaalsContact O-N 3.09Å
15	L	55.2	Low	54.4	Low	128 Å²	128	119.1 Å²	119.1	67%	0.67	67%	0.668	S	S	*	*	H	α-helix	trans	-67	-37.6	176.3	-100.3	143.6	0	0	0	112.6	P11	P11-L15 PolarHBondContact O-N 3.43Å
16	A	56.1	Low	54.5	Low	57 Å²	57	110.3 Å²	110.3	47%	0.471	65%	0.652	S	S	.	*	H	α-helix	trans	-71	-30.5	174.6	0	0	0	0	0	113	L12 T19 C20	L12-A16 PolarHBondContact O-N 3.3Å; A16-T19 PolarHBondContact O-OG1 3.03Å; A16-C20 PolarHBondContact O-SG 2.88Å; A16-C20 VanDerWaalsContact O-SG 3.4Å
17	A	53.6	Low	55.5	Low	50 Å²	50	106.9 Å²	106.9	41%	0.413	66%	0.658	S	S	.	*	H	α-helix	trans	-74.2	-33.3	175.9	0	0	0	0	0	112.7	G13 L14 T19 C20	G13-A17 PolarHBondContact O-N 2.89Å; L14-A17 PolarHBondContact O-N 3.01Å; A17-T19 VanDerWaalsContact C-N 3.33Å; A17-T19 PolarHBondContact O-N 3.35Å; A17-C20 PolarHBondContact O-N 3.11Å
18	C	53	Low	55.9	Low	96 Å²	96	105.5 Å²	105.5	65%	0.649	65%	0.651	S	S	*	*	H	α-helix	trans	-69.2	-26.5	176.2	-77.2	0	0	0	0	113.7	L14 C20	L14-C18 PolarHBondContact O-N 3.36Å; L14-C18 VanDerWaalsContact O-N 3.09Å; C18-C20 VanDerWaalsContact C-N 3.33Å
19	T	54.7	Low	56.7	Low	114 Å²	114	101.3 Å²	101.3	70%	0.699	65%	0.653	S	S	*	*	H	α-helix	trans	-77.6	-17.2	174.2	47.7	0	0	0	0	113.7	A16 A17	A16-T19 PolarHBondContact O-OG1 3.03Å; A17-T19 VanDerWaalsContact C-N 3.33Å; A17-T19 PolarHBondContact O-N 3.35Å
20	C	55	Low	57.1	Low	104 Å²	104	98.6 Å²	98.6	70%	0.703	65%	0.652	S	S	*	*	H	α-helix	trans	-99.6	-7	-175.4	-66.3	0	0	0	0	114.7	A16 A17 C18	A16-C20 PolarHBondContact O-SG 2.88Å; A16-C20 VanDerWaalsContact O-SG 3.4Å; A17-C20 PolarHBondContact O-N 3.11Å; C18-C20 VanDerWaalsContact C-N 3.33Å
21	L	52.7	Low	57.3	Low	150 Å²	150	101.6 Å²	101.6	79%	0.785	67%	0.666	S	S	*	*	S	Bend	trans	-116.5	1.2	-177.6	-70.4	170.5	0	0	0	114.5	V23	L21-V23 PolarHBondContact O-N 3.24Å; L21-V23 VanDerWaalsContact O-N 3.13Å
22	G	51.7	Low	57.2	Low	52 Å²	52	101.2 Å²	101.2	54%	0.536	68%	0.677	S	S	.	*			trans	-78.7	89.2	167.8	0	0	0	0	0	110.2	V24	G22-V24 PolarHBondContact O-N 2.92Å
23	V	54.2	Low	57.2	Low	139 Å²	139	107.3 Å²	107.3	84%	0.842	69%	0.693	S	S	*	*			trans	-67.4	81.6	156.3	-173.9	0	0	0	0	106.1	L21 Q25	L21-V23 PolarHBondContact O-N 3.24Å; L21-V23 VanDerWaalsContact O-N 3.13Å; V23-Q25 PolarHBondContact O-N 3.13Å; V23-Q25 VanDerWaalsContact O-N 3.08Å
24	V	56.5	Low	57	Low	126 Å²	126	108 Å²	108	76%	0.764	70%	0.701	S	S	*	*			trans	-65.1	109.1	168.1	-172.8	0	0	0	0	104.7	G22 G26	G22-V24 PolarHBondContact O-N 2.92Å; V24-G26 PolarHBondContact O-N 2.99Å
25	Q	56.4	Low	56.6	Low	183 Å²	183	109.1 Å²	109.1	86%	0.855	71%	0.712	S	S	*	*			trans	-66.1	80.7	159.8	-77.7	-164.2	-31.3	0	0	106.8	V23 C27	V23-Q25 PolarHBondContact O-N 3.13Å; V23-Q25 VanDerWaalsContact O-N 3.08Å; Q25-C27 PolarHBondContact O-N 3.17Å
26	G	55.4	Low	56.4	Low	55 Å²	55	113.7 Å²	113.7	57%	0.567	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-58.5	124.6	163.2	0	0	0	0	0	106.5	V24 G28	V24-G26 PolarHBondContact O-N 2.99Å; G26-G28 PolarHBondContact O-N 2.99Å
27	C	69.7	Low	55.8	Low	131 Å²	131	116.2 Å²	116.2	89%	0.885	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-51.7	120.8	160.7	-61.2	0	0	0	0	106	Q25	Q25-C27 PolarHBondContact O-N 3.17Å
28	G	65.6	Low	55.7	Low	53 Å²	53	124.7 Å²	124.7	55%	0.546	76%	0.756	S	S	.	*	P	Polyproline II helix	trans	-51	159.5	174	0	0	0	0	0	110.2	G26 G30	G26-G28 PolarHBondContact O-N 2.99Å; G28-G30 PolarHBondContact O-N 3.19Å
29	P	71.3	Confident	55.9	Low	136 Å²	136	125.5 Å²	125.5	88%	0.883	76%	0.761	S	S	*	*	S	Bend	trans	-47	118.5	-179.8	21.4	-32.5	0	0	0	108.5
30	G	61.1	Low	56.4	Low	55 Å²	55	125.5 Å²	125.5	57%	0.567	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-56.6	168.9	-178.3	0	0	0	0	0	110.9	G28 G32	G28-G30 PolarHBondContact O-N 3.19Å; G30-G32 PolarHBondContact O-N 3.25Å
31	P	60.3	Low	57.3	Low	129 Å²	129	129.6 Å²	129.6	84%	0.838	75%	0.754	S	S	*	*			trans	-46.8	111.9	-178.4	-24.5	32	0	0	0	110.5	Y33	P31-Y33 PolarHBondContact O-N 2.99Å
32	G	53.6	Low	58.8	Low	72 Å²	72	125 Å²	125	74%	0.742	73%	0.729	S	S	*	*			trans	-62.5	125	179.8	0	0	0	0	0	109	G30 G34	G30-G32 PolarHBondContact O-N 3.25Å; G32-G34 PolarHBondContact O-N 3.32Å
33	Y	54.7	Low	60.7	Low	249 Å²	249	126.9 Å²	126.9	98%	0.976	73%	0.731	S	S	*	*			trans	-71.2	80.7	166.2	-71.8	-84.7	0	0	0	108.2	P31	P31-Y33 PolarHBondContact O-N 2.99Å
34	G	50.2	Low	62.6	Low	64 Å²	64	123.5 Å²	123.5	66%	0.66	71%	0.711	S	S	*	*			trans	-112.8	118.7	169.3	0	0	0	0	0	108.5	G32 R36	G32-G34 PolarHBondContact O-N 3.32Å; G34-R36 PolarHBondContact O-N 2.74Å
35	T	48.1	Very low	64.5	Low	148 Å²	148	117.8 Å²	117.8	91%	0.908	68%	0.677	S	S	*	*			trans	-63.9	106.2	164.5	-7.8	0	0	0	0	106.7	S37	T35-S37 PolarHBondContact O-N 2.03Å
36	R	49.6	Very low	66.4	Low	225 Å²	225	118.6 Å²	118.6	85%	0.849	67%	0.672	S	S	*	*			trans	-57.9	117.6	170.7	-173	176.5	-175.9	179.7	1.7	106.7	G34 R38	G34-R36 PolarHBondContact O-N 2.74Å; R36-R38 PolarHBondContact O-N 3.47Å
37	S	44.1	Very low	68.3	Low	110 Å²	110	121.2 Å²	121.2	77%	0.769	67%	0.666	S	S	*	*			trans	-49.8	114.7	173	-177.5	0	0	0	0	107.5	T35 P39	T35-S37 PolarHBondContact O-N 2.03Å; S37-P39 WeakPolarHBondContact O-CD 3.29Å
38	R	51.7	Low	69.6	Low	227 Å²	227	120.2 Å²	120.2	86%	0.857	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-71.3	121.3	179.9	-72	-176.8	177.4	177.3	0.3	106	R36 R40	R36-R38 PolarHBondContact O-N 3.47Å; R38-R40 PolarHBondContact O-N 2.83Å
39	P	58.2	Low	71	Confident	114 Å²	114	121.4 Å²	121.4	74%	0.74	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-55.4	133.5	174.8	22.5	-30.9	0	0	0	108.4	S37 K41	S37-P39 WeakPolarHBondContact O-CD 3.29Å; P39-K41 PolarHBondContact O-N 2.84Å
40	R	63.4	Low	72.1	Confident	114 Å²	114	118 Å²	118	43%	0.43	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-54	125.5	177	-86.1	179.8	171	153.3	-7.2	107.6	R38 L42 E350	R38-R40 PolarHBondContact O-N 2.83Å; R40-L42 PolarHBondContact O-N 2.86Å; R40-E350 IonicContact CZ-OE1 2.71Å; R40-E350 IonicContact NH1-OE1 3.87Å; R40-E350 PolarHBondContact NH1-OE1 3.02Å; R40-E350 IonicContact NH2-OE1 3.97Å; R40-E350 PolarHBondContact NH2-OE1 3.08Å
41	K	74.4	Confident	73.6	Confident	190 Å²	190	117.3 Å²	117.3	83%	0.826	59%	0.59	S	S	*	*			trans	-72.5	110.9	-179.7	-173.7	178.5	-179.9	-178.1	0	108.6	P39 T43	P39-K41 PolarHBondContact O-N 2.84Å; K41-T43 PolarHBondContact O-N 2.78Å
42	L	85	Confident	75	Confident	52 Å²	52	111.6 Å²	111.6	27%	0.272	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-61.1	118.9	173.3	-65.3	171.7	0	0	0	109.1	R40 Q166 L167 E170	R40-L42 PolarHBondContact O-N 2.86Å; L42-Q166 HydrophobicContact CB-CG 4.4Å; L42-Q166 HydrophobicContact CD2-CG 3.96Å; L42-L167 HydrophobicContact CD1-CD2 3.57Å; L42-L167 HydrophobicContact CD1-CG 4.46Å; L42-L167 HydrophobicContact CD2-CD2 4.41Å; L42-E170 HydrophobicContact CD2-CG 3.91Å
43	T	90.4	Very high	76.7	Confident	92 Å²	92	114.2 Å²	114.2	56%	0.564	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-99.1	121.3	175.6	-58.4	0	0	0	0	107.8	K41 M45 Q166	K41-T43 PolarHBondContact O-N 2.78Å; T43-M45 PolarHBondContact O-N 2.85Å; T43-Q166 WeakPolarHBondContact O-CB 3.24Å; T43-Q166 VanDerWaalsContact O-CG 3.3Å; T43-Q166 WeakPolarHBondContact O-CG 3.47Å; T43-Q166 PolarHBondContact O-OE1 3.35Å
44	P	94.7	Very high	78.2	Confident	68 Å²	68	104.3 Å²	104.3	44%	0.442	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-62.6	135.3	-179.1	23.6	-31.2	0	0	0	110.8	G162 I163	P44-G162 CarbonylContact C-O 3.49Å; P44-G162 WeakPolarHBondContact CA-O 3.31Å; P44-I163 HydrophobicContact CB-CD1 3.69Å; P44-I163 HydrophobicContact CB-CG1 4.06Å; P44-I163 HydrophobicContact CG-CD1 4.11Å
45	M	96.1	Very high	80.1	Confident	7 Å²	7	104.9 Å²	104.9	3%	0.034	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-66.3	141.6	171.1	-65.3	-177.2	65.4	0	0	110.1	T43 Q49 F51 G162 A165 Q166 V169 V176	T43-M45 PolarHBondContact O-N 2.85Å; M45-Q49 HydrophobicContact CE-CB 4.47Å; M45-Q49 HydrophobicContact CE-CG 4.28Å; M45-F51 HydrophobicContact CE-CB 3.91Å; M45-G162 PolarHBondContact N-O 2.82Å; M45-G162 WeakPolarHBondContact O-CA 3.34Å; M45-A165 HydrophobicContact CB-CB 3.93Å; M45-A165 HydrophobicContact CG-CB 4.04Å; M45-A165 VanDerWaalsContact SD-C 3.6Å; M45-A165 HydrophobicContact SD-CB 3.53Å; M45-A165 VanDerWaalsContact SD-CB 3.53Å; M45-Q166 HydrophobicContact CG-CB 4.42Å; M45-V169 HydrophobicContact SD-CG2 3.79Å; M45-V176 HydrophobicContact CE-CG1 4.31Å; M45-V176 HydrophobicContact SD-CB 4.44Å; M45-V176 HydrophobicContact SD-CG1 3.92Å
46	R	96.3	Very high	82.3	Confident	200 Å²	200	99.2 Å²	99.2	76%	0.755	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-78.6	155	177.5	-59.9	-179.9	-176.2	-173.1	1.7	110.4	K48 Q49 Y178	R46-K48 PolarHBondContact O-N 2.91Å; R46-Q49 HydrophobicContact CB-CB 4.19Å; R46-Q49 WeakPolarHBondContact O-CB 3.02Å; R46-Q49 PolarHBondContact O-N 3.3Å; R46-Y178 WeakPolarHBondContact O-CB 3.09Å
47	Y	96.4	Very high	84.2	Confident	110 Å²	110	91.3 Å²	91.3	43%	0.431	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	135.3	171.8	178.1	-121.6	0	0	0	110.7	Q49 Y178 R181	Y47-Q49 PolarHBondContact O-N 2.89Å; Y47-Y178 HydrophobicContact CD2-CD2 4.03Å; Y47-Y178 HydrophobicContact CD2-CE2 4.15Å; Y47-Y178 HydrophobicContact CD2-CG 4.43Å; Y47-R181 HydrophobicContact CD2-CG 4.38Å; Y47-R181 HydrophobicContact CE2-CG 3.92Å
48	K	96	Very high	86	Confident	109 Å²	109	87.9 Å²	87.9	47%	0.474	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	8.4	-173	-60.7	-61.2	-164.2	177.5	0	116	R46 Y178 E179	R46-K48 PolarHBondContact O-N 2.91Å; K48-Y178 VanDerWaalsContact CA-O 3.31Å; K48-Y178 WeakPolarHBondContact CA-O 3.2Å; K48-Y178 PolarHBondContact N-O 3.26Å; K48-E179 WeakPolarHBondContact CD-O 3.08Å; K48-E179 VanDerWaalsContact CE-O 3.29Å; K48-E179 WeakPolarHBondContact CE-O 2.99Å; K48-E179 PolarHBondContact NZ-O 3.39Å
49	Q	95.8	Very high	87	Confident	78 Å²	78	80.5 Å²	80.5	36%	0.364	40%	0.395	S	S	.	.			trans	-80.6	141.1	170.6	-171.3	179.5	-10.2	0	0	110	M45 R46 Y47 H177 Y178	M45-Q49 HydrophobicContact CE-CB 4.47Å; M45-Q49 HydrophobicContact CE-CG 4.28Å; R46-Q49 HydrophobicContact CB-CB 4.19Å; R46-Q49 WeakPolarHBondContact O-CB 3.02Å; R46-Q49 PolarHBondContact O-N 3.3Å; Y47-Q49 PolarHBondContact O-N 2.89Å; Q49-H177 PolarHBondContact O-CD2 3.23Å; Q49-Y178 PolarHBondContact O-N 2.91Å
50	F	94.6	Very high	87.6	Confident	65 Å²	65	75.4 Å²	75.4	29%	0.285	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	151.9	169.1	47.9	-89.1	0	0	0	111.1	N53 F54 W175 V176 H177	F50-N53 WeakPolarHBondContact CE2-OD1 3.44Å; F50-F54 VanDerWaalsContact CD2-O 3.31Å; F50-F54 WeakPolarHBondContact CD2-O 3.37Å; F50-F54 WeakPolarHBondContact CE2-O 3.34Å; F50-W175 HydrophobicContact CB-CH2 4.37Å; F50-W175 HydrophobicContact CB-CZ2 3.53Å; F50-W175 HydrophobicContact CD1-CZ2 4.43Å; F50-W175 HydrophobicContact CD2-CZ2 4.21Å; F50-W175 AromaticContact CD2-NE1 3.85Å; F50-W175 AromaticContact CG-CZ2 3.81Å; F50-W175 HydrophobicContact CG-CZ2 3.81Å; F50-V176 CarbonylContact C-O 3.4Å; F50-V176 WeakPolarHBondContact CA-O 3.35Å; F50-V176 WeakPolarHBondContact CB-O 3.47Å; F50-H177 HydrophobicContact CB-CB 3.89Å
51	F	91.9	Very high	88.7	Confident	41 Å²	41	70 Å²	70	18%	0.18	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	135.1	177.1	-179.2	-88.2	0	0	0	109.9	M45 V169 W175 V176	M45-F51 HydrophobicContact CE-CB 3.91Å; F51-V169 HydrophobicContact CB-CG2 3.91Å; F51-V169 HydrophobicContact CD1-CB 4.18Å; F51-V169 HydrophobicContact CD1-CG1 3.36Å; F51-V169 HydrophobicContact CD1-CG2 3.7Å; F51-V169 HydrophobicContact CE1-CG1 3.43Å; F51-V169 VanDerWaalsContact CE1-CG1 3.43Å; F51-V169 HydrophobicContact CG-CG1 4.14Å; F51-V169 HydrophobicContact CG-CG2 4.04Å; F51-V169 HydrophobicContact CZ-CG1 4.27Å; F51-W175 CarbonylContact O-C 3.51Å; F51-W175 WeakPolarHBondContact O-CA 3.39Å; F51-V176 PolarHBondContact N-O 2.82Å; F51-V176 PolarHBondContact O-N 2.93Å
52	P	89.7	Confident	89.4	Confident	8 Å²	8	61 Å²	61	5%	0.052	30%	0.304	C	S	.	.	S	Bend	cis	-62.1	164	-10.7	29.2	-36.3	0	0	0	111.3	F54 A61 D174	P52-F54 HydrophobicContact CB-CD2 3.74Å; P52-F54 HydrophobicContact CB-CE2 4.04Å; P52-F54 HydrophobicContact CG-CD2 3.92Å; P52-F54 PolarHBondContact O-N 3.28Å; P52-A61 HydrophobicContact CG-CB 4.23Å; P52-D174 WeakPolarHBondContact CD-O 3.44Å
53	N	88.9	Confident	89.5	Confident	127 Å²	127	58.7 Å²	58.7	68%	0.679	29%	0.293	S	S	*	.	S	Bend	trans	-76.1	53.4	-175.4	-168.6	27.4	0	0	0	112.7	F50	F50-N53 WeakPolarHBondContact CE2-OD1 3.44Å
54	F	86.9	Confident	89.4	Confident	41 Å²	41	62 Å²	62	18%	0.18	30%	0.295	C	S	.	.	S	Bend	trans	-131.1	164.5	175.2	-53.3	-62	0	0	0	108.9	F50 P52 T58 W175 L256 L320	F50-F54 VanDerWaalsContact CD2-O 3.31Å; F50-F54 WeakPolarHBondContact CD2-O 3.37Å; F50-F54 WeakPolarHBondContact CE2-O 3.34Å; P52-F54 HydrophobicContact CB-CD2 3.74Å; P52-F54 HydrophobicContact CB-CE2 4.04Å; P52-F54 HydrophobicContact CG-CD2 3.92Å; P52-F54 PolarHBondContact O-N 3.28Å; F54-T58 WeakPolarHBondContact CB-OG1 3.42Å; F54-W175 PolarHBondContact O-NE1 2.82Å; F54-L256 HydrophobicContact CE2-CD2 3.7Å; F54-L256 HydrophobicContact CZ-CD2 3.52Å; F54-L320 HydrophobicContact CB-CD1 4.05Å; F54-L320 HydrophobicContact CD1-CD1 3.35Å; F54-L320 HydrophobicContact CD1-CG 3.72Å; F54-L320 HydrophobicContact CD2-CD1 4.08Å; F54-L320 HydrophobicContact CD2-CD2 4.46Å; F54-L320 HydrophobicContact CD2-CG 4.44Å; F54-L320 HydrophobicContact CE1-CD1 3.75Å; F54-L320 HydrophobicContact CE1-CD2 4.25Å; F54-L320 HydrophobicContact CE1-CG 3.53Å; F54-L320 HydrophobicContact CE2-CD1 4.42Å; F54-L320 HydrophobicContact CE2-CD2 4.15Å; F54-L320 HydrophobicContact CE2-CG 4.28Å; F54-L320 HydrophobicContact CG-CD1 3.54Å; F54-L320 HydrophobicContact CG-CG 4.19Å; F54-L320 HydrophobicContact CZ-CD1 4.27Å; F54-L320 HydrophobicContact CZ-CD2 4.04Å; F54-L320 HydrophobicContact CZ-CG 3.84Å
55	S	90.4	Very high	89.3	Confident	76 Å²	76	60.5 Å²	60.5	53%	0.531	29%	0.289	S	S	.	.			trans	-70.4	146.2	172.2	55.7	0	0	0	0	111.1	N57 T58 A61	S55-N57 VanDerWaalsContact C-N 3.32Å; S55-N57 PolarHBondContact O-N 2.81Å; S55-T58 WeakPolarHBondContact O-CB 3.24Å; S55-T58 PolarHBondContact O-N 3.34Å; S55-T58 PolarHBondContact O-OG1 3.26Å; S55-T58 WeakPolarHBondContact OG-CG2 3.49Å; S55-A61 WeakPolarHBondContact O-CB 3.39Å
56	E	93.4	Very high	89	Confident	30 Å²	30	65.4 Å²	65.4	14%	0.14	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-50.2	-174.6	-176	-177.3	-165.9	0	0	113.6	T58 A61 S62 G63 L142 W175 H185 S187	E56-T58 PolarHBondContact O-N 2.82Å; E56-T58 VanDerWaalsContact O-N 3.13Å; E56-A61 WeakPolarHBondContact O-CB 3.28Å; E56-S62 PolarHBondContact O-N 2.99Å; E56-G63 PolarHBondContact O-N 2.88Å; E56-G63 VanDerWaalsContact O-N 3.15Å; E56-L142 HydrophobicContact CG-CD1 3.98Å; E56-L142 WeakPolarHBondContact OE1-CD1 3.42Å; E56-W175 HydrophobicContact CB-CD2 3.71Å; E56-W175 HydrophobicContact CB-CE3 3.65Å; E56-W175 HydrophobicContact CB-CG 4.3Å; E56-W175 HydrophobicContact CB-CH2 4.01Å; E56-W175 HydrophobicContact CB-CZ2 4.09Å; E56-W175 HydrophobicContact CB-CZ3 3.79Å; E56-W175 HydrophobicContact CG-CD2 3.9Å; E56-W175 HydrophobicContact CG-CE3 3.56Å; E56-W175 HydrophobicContact CG-CG 4.34Å; E56-W175 HydrophobicContact CG-CZ3 3.97Å; E56-H185 IonicContact OE1-CE1 4Å; E56-H185 IonicContact OE1-NE2 3.55Å; E56-H185 PolarHBondContact OE1-NE2 2.88Å; E56-H185 IonicContact OE2-NE2 2.77Å; E56-S187 WeakPolarHBondContact CG-OG 3.48Å; E56-S187 WeakPolarHBondContact OE1-CB 3.45Å; E56-S187 PolarHBondContact OE1-OG 3.06Å
57	N	89.6	Confident	88.7	Confident	59 Å²	59	57.4 Å²	57.4	32%	0.316	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	5.7	-174.8	-74.2	-31.7	0	0	0	114.2	S55 G63 R64 G140	S55-N57 VanDerWaalsContact C-N 3.32Å; S55-N57 PolarHBondContact O-N 2.81Å; N57-G63 CarbonylContact O-C 3.57Å; N57-G63 PolarHBondContact OD1-O 3.42Å; N57-R64 WeakPolarHBondContact O-CG 3.48Å; N57-R64 PolarHBondContact O-N 2.83Å; N57-G140 PolarHBondContact ND2-O 2.87Å
58	T	82.5	Confident	88.6	Confident	37 Å²	37	57.1 Å²	57.1	23%	0.227	29%	0.293	C	S	.	.	S	Bend	trans	-79	146.6	171.8	61.3	0	0	0	0	110.8	F54 S55 E56 G60 A61 G63 L320	F54-T58 WeakPolarHBondContact CB-OG1 3.42Å; S55-T58 WeakPolarHBondContact O-CB 3.24Å; S55-T58 PolarHBondContact O-N 3.34Å; S55-T58 PolarHBondContact O-OG1 3.26Å; S55-T58 WeakPolarHBondContact OG-CG2 3.49Å; E56-T58 PolarHBondContact O-N 2.82Å; E56-T58 VanDerWaalsContact O-N 3.13Å; T58-G60 PolarHBondContact O-N 2.87Å; T58-G60 VanDerWaalsContact O-N 3.09Å; T58-A61 CarbonylContact O-C 3.52Å; T58-A61 WeakPolarHBondContact O-CA 3.35Å; T58-A61 PolarHBondContact O-N 2.88Å; T58-G63 WeakPolarHBondContact O-CA 3.4Å; T58-G63 PolarHBondContact O-N 2.81Å; T58-L320 HydrophobicContact CG2-CD1 4.43Å
59	L	73	Confident	88.5	Confident	72 Å²	72	52.2 Å²	52.2	38%	0.377	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-17.2	178.1	-69.5	167.3	0	0	0	113.3	A61 K189 V254	L59-A61 VanDerWaalsContact C-N 3.32Å; L59-K189 PolarHBondContact O-NZ 2.87Å; L59-V254 HydrophobicContact CB-CB 3.52Å; L59-V254 HydrophobicContact CB-CG1 4.11Å; L59-V254 HydrophobicContact CB-CG2 3.61Å; L59-V254 HydrophobicContact CD1-CB 3.94Å; L59-V254 HydrophobicContact CD1-CG2 3.34Å; L59-V254 HydrophobicContact CG-CB 4.36Å; L59-V254 HydrophobicContact CG-CG2 4.01Å
60	G	69.6	Low	88.3	Confident	7 Å²	7	51.5 Å²	51.5	7%	0.072	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-17.1	170.8	0	0	0	0	0	114.4	T58	T58-G60 PolarHBondContact O-N 2.87Å; T58-G60 VanDerWaalsContact O-N 3.09Å
61	A	86.8	Confident	88.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-129.9	178.1	0	0	0	0	0	109.3	P52 S55 E56 T58 L59 G63 W175 K189	P52-A61 HydrophobicContact CG-CB 4.23Å; S55-A61 WeakPolarHBondContact O-CB 3.39Å; E56-A61 WeakPolarHBondContact O-CB 3.28Å; T58-A61 CarbonylContact O-C 3.52Å; T58-A61 WeakPolarHBondContact O-CA 3.35Å; T58-A61 PolarHBondContact O-N 2.88Å; L59-A61 VanDerWaalsContact C-N 3.32Å; A61-G63 VanDerWaalsContact C-N 3.3Å; A61-G63 PolarHBondContact O-N 3.48Å; A61-W175 HydrophobicContact CB-CB 4.09Å; A61-W175 HydrophobicContact CB-CG 4.04Å; A61-K189 WeakPolarHBondContact O-CE 3.26Å; A61-K189 PolarHBondContact O-NZ 2.86Å
62	S	90.6	Very high	87.9	Confident	1 Å²	1	61 Å²	61	1%	0.007	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-18.1	178.6	-62.5	0	0	0	0	113.3	E56 R147 W175 S187 V188 K189	E56-S62 PolarHBondContact O-N 2.99Å; S62-R147 PolarHBondContact O-NH2 3.44Å; S62-W175 VanDerWaalsContact OG-CB 3.23Å; S62-W175 WeakPolarHBondContact OG-CB 3.38Å; S62-S187 WeakPolarHBondContact CB-OG 3.28Å; S62-S187 WeakPolarHBondContact OG-CB 3.49Å; S62-S187 PolarHBondContact OG-O 3.02Å; S62-S187 PolarHBondContact OG-OG 2.95Å; S62-V188 PolarHBondContact OG-N 2.88Å; S62-K189 VanDerWaalsContact O-CA 3.23Å; S62-K189 WeakPolarHBondContact O-CA 3.35Å; S62-K189 WeakPolarHBondContact O-CG 3.5Å
63	G	86.2	Confident	87.9	Confident	5 Å²	5	62.1 Å²	62.1	5%	0.052	33%	0.328	C	S	.	.			trans	80.5	167.1	178.7	0	0	0	0	0	112.8	E56 N57 T58 A61 R147	E56-G63 PolarHBondContact O-N 2.88Å; E56-G63 VanDerWaalsContact O-N 3.15Å; N57-G63 CarbonylContact O-C 3.57Å; N57-G63 PolarHBondContact OD1-O 3.42Å; T58-G63 WeakPolarHBondContact O-CA 3.4Å; T58-G63 PolarHBondContact O-N 2.81Å; A61-G63 VanDerWaalsContact C-N 3.3Å; A61-G63 PolarHBondContact O-N 3.48Å; G63-R147 PolarHBondContact O-NH2 3.43Å
64	R	88.8	Confident	87.9	Confident	160 Å²	160	64.1 Å²	64.1	60%	0.604	33%	0.333	S	S	*	.			trans	-59.8	148.4	-168.3	-61.4	-178.5	-176.1	170.2	5.3	112.2	N57 E66 R147 E322	N57-R64 WeakPolarHBondContact O-CG 3.48Å; N57-R64 PolarHBondContact O-N 2.83Å; R64-E66 PolarHBondContact O-N 2.9Å; R64-R147 PolarHBondContact O-NH1 2.92Å; R64-E322 IonicContact NH2-OE1 3.42Å; R64-E322 PolarHBondContact NH2-OE1 3.3Å
65	A	91.4	Very high	87.9	Confident	38 Å²	38	65.3 Å²	65.3	31%	0.314	34%	0.336	S	S	.	.			trans	-62.8	128.4	165.1	0	0	0	0	0	109.6	L142 E145	A65-L142 HydrophobicContact CB-CD2 4.08Å; A65-E145 VanDerWaalsContact C-OE1 3.25Å; A65-E145 WeakPolarHBondContact CA-OE1 3.3Å; A65-E145 VanDerWaalsContact CB-OE1 3.3Å; A65-E145 WeakPolarHBondContact CB-OE1 3.09Å
66	E	89.6	Confident	87.9	Confident	110 Å²	110	63.6 Å²	63.6	51%	0.514	32%	0.319	S	S	.	.			trans	-86.3	-15	174.8	-68.3	-177.3	174.6	0	0	112.3	R64 R75 E145 A190	R64-E66 PolarHBondContact O-N 2.9Å; E66-R75 IonicContact OE2-CZ 3.05Å; E66-R75 IonicContact OE2-NH2 3.68Å; E66-R75 PolarHBondContact OE2-NH2 3.5Å; E66-E145 VanDerWaalsContact N-CD 3.32Å; E66-E145 PolarHBondContact N-OE1 3Å; E66-E145 PolarHBondContact N-OE2 2.93Å; E66-A190 WeakPolarHBondContact OE1-CB 3.41Å
67	G	89.9	Confident	87.5	Confident	31 Å²	31	68.8 Å²	68.8	32%	0.32	35%	0.348	S	S	.	.			trans	125.1	153.4	177	0	0	0	0	0	112.9	I69 R75 E145	G67-I69 PolarHBondContact O-N 2.74Å; G67-R75 PolarHBondContact O-NH1 3.04Å; G67-E145 PolarHBondContact N-OE1 3.3Å; G67-E145 WeakPolarHBondContact O-CG 3.42Å
68	K	94.5	Very high	87.3	Confident	105 Å²	105	70.3 Å²	70.3	46%	0.457	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-58.6	130.6	-178.5	177.2	164.2	-178	170.3	0	111.8	E133 Y144	K68-E133 PolarHBondContact NZ-O 3.01Å; K68-Y144 HydrophobicContact CB-CG 4.42Å; K68-Y144 HydrophobicContact CD-CD1 3.94Å; K68-Y144 HydrophobicContact CD-CE1 4.42Å; K68-Y144 HydrophobicContact CD-CG 4.14Å; K68-Y144 HydrophobicContact CG-CD1 4.35Å; K68-Y144 HydrophobicContact CG-CG 4.23Å
69	I	93.7	Very high	87.7	Confident	6 Å²	6	69.5 Å²	69.5	3%	0.031	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-94.4	117.1	173.1	-60.3	-179.7	0	0	0	107.3	G67 S73 R75 F76 L79 W131 Y144 E145	G67-I69 PolarHBondContact O-N 2.74Å; I69-S73 WeakPolarHBondContact CG2-OG 3.37Å; I69-R75 HydrophobicContact CD1-CB 4.03Å; I69-R75 HydrophobicContact CG1-CB 3.97Å; I69-R75 HydrophobicContact CG2-CB 4.27Å; I69-F76 HydrophobicContact CG2-CB 3.85Å; I69-F76 HydrophobicContact CG2-CD2 4.1Å; I69-F76 HydrophobicContact CG2-CG 4.5Å; I69-L79 HydrophobicContact CD1-CD1 4.21Å; I69-L79 HydrophobicContact CD1-CD2 4.15Å; I69-L79 HydrophobicContact CD1-CG 4.35Å; I69-L79 HydrophobicContact CG2-CD1 4.02Å; I69-W131 WeakPolarHBondContact O-CZ2 3.46Å; I69-W131 PolarHBondContact O-NE1 2.98Å; I69-Y144 PolarHBondContact N-O 2.79Å; I69-E145 HydrophobicContact CD1-CB 4.32Å; I69-E145 HydrophobicContact CG1-CG 4.38Å
70	S	92.6	Very high	88.6	Confident	63 Å²	63	68.4 Å²	68.4	44%	0.441	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-95.1	156.8	170.5	64.8	0	0	0	0	110.4	N72 S73	S70-N72 PolarHBondContact O-N 3.27Å; S70-S73 PolarHBondContact N-OG 3.02Å; S70-S73 WeakPolarHBondContact O-CB 3.4Å; S70-S73 PolarHBondContact O-N 3.21Å; S70-S73 PolarHBondContact O-OG 2.81Å
71	R	89.6	Confident	89.8	Confident	145 Å²	145	70.5 Å²	70.5	55%	0.547	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-29	-178.6	-147.1	171.9	-157.2	-87.6	1.6	114.5	F76 W131	R71-F76 HydrophobicContact CG-CE1 4.3Å; R71-F76 HydrophobicContact CG-CE2 4.3Å; R71-F76 HydrophobicContact CG-CZ 4.08Å; R71-W131 HydrophobicContact CB-CH2 3.98Å; R71-W131 HydrophobicContact CG-CH2 4.05Å
72	N	88.3	Confident	90.2	Very high	161 Å²	161	70.6 Å²	70.6	86%	0.861	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	0.6	-178.5	-60.9	-19.3	0	0	0	113.4	S70	S70-N72 PolarHBondContact O-N 3.27Å
73	S	90.6	Very high	90.4	Very high	30 Å²	30	78 Å²	78	21%	0.21	39%	0.386	C	S	.	.	S	Bend	trans	-83.7	149.9	-177.9	70.8	0	0	0	0	112	I69 S70 R75 F76	I69-S73 WeakPolarHBondContact CG2-OG 3.37Å; S70-S73 PolarHBondContact N-OG 3.02Å; S70-S73 WeakPolarHBondContact O-CB 3.4Å; S70-S73 PolarHBondContact O-N 3.21Å; S70-S73 PolarHBondContact O-OG 2.81Å; S73-R75 PolarHBondContact O-N 3.47Å; S73-F76 WeakPolarHBondContact O-CB 3.42Å; S73-F76 PolarHBondContact O-N 2.83Å; S73-F76 PolarHBondContact OG-N 3.49Å
74	E	87.5	Confident	90.8	Very high	170 Å²	170	79.2 Å²	79.2	79%	0.794	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-60.5	-28.1	175.4	-65.1	-177.2	174.6	0	0	112.9	F76 N77	E74-F76 PolarHBondContact O-N 2.9Å; E74-N77 WeakPolarHBondContact O-CB 3.39Å; E74-N77 PolarHBondContact O-N 2.94Å
75	R	86.6	Confident	91.1	Very high	66 Å²	66	77.1 Å²	77.1	25%	0.249	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-68.9	-23.7	176.8	-68.5	-179.8	69.7	-139	-2.4	112.2	E66 G67 I69 S73 N77 Q78 E145	E66-R75 IonicContact OE2-CZ 3.05Å; E66-R75 IonicContact OE2-NH2 3.68Å; E66-R75 PolarHBondContact OE2-NH2 3.5Å; G67-R75 PolarHBondContact O-NH1 3.04Å; I69-R75 HydrophobicContact CD1-CB 4.03Å; I69-R75 HydrophobicContact CG1-CB 3.97Å; I69-R75 HydrophobicContact CG2-CB 4.27Å; S73-R75 PolarHBondContact O-N 3.47Å; R75-N77 VanDerWaalsContact C-N 3.26Å; R75-N77 PolarHBondContact O-N 2.95Å; R75-Q78 WeakPolarHBondContact O-CB 3.37Å; R75-Q78 PolarHBondContact O-N 2.93Å; R75-Q78 VanDerWaalsContact O-N 3.12Å; R75-E145 IonicContact NH2-OE2 3.17Å
76	F	90.3	Very high	91.2	Very high	40 Å²	40	77.9 Å²	77.9	18%	0.175	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-63.1	-33.7	175	-171.2	-99	0	0	0	112.2	I69 R71 S73 E74 Q78 L79 V100 W131	I69-F76 HydrophobicContact CG2-CB 3.85Å; I69-F76 HydrophobicContact CG2-CD2 4.1Å; I69-F76 HydrophobicContact CG2-CG 4.5Å; R71-F76 HydrophobicContact CG-CE1 4.3Å; R71-F76 HydrophobicContact CG-CE2 4.3Å; R71-F76 HydrophobicContact CG-CZ 4.08Å; S73-F76 WeakPolarHBondContact O-CB 3.42Å; S73-F76 PolarHBondContact O-N 2.83Å; S73-F76 PolarHBondContact OG-N 3.49Å; E74-F76 PolarHBondContact O-N 2.9Å; F76-Q78 PolarHBondContact O-N 2.99Å; F76-L79 HydrophobicContact CD2-CD1 4.04Å; F76-L79 HydrophobicContact CE2-CD1 4.38Å; F76-L79 WeakPolarHBondContact O-CB 3.18Å; F76-L79 PolarHBondContact O-N 2.82Å; F76-V100 HydrophobicContact CE2-CG1 3.85Å; F76-V100 HydrophobicContact CZ-CG1 4.18Å; F76-V100 HydrophobicContact CZ-CG2 4.44Å; F76-W131 AromaticContact CD2-CH2 3.92Å; F76-W131 HydrophobicContact CD2-CH2 3.92Å; F76-W131 AromaticContact CD2-CZ2 3.77Å; F76-W131 HydrophobicContact CD2-CZ2 3.77Å; F76-W131 HydrophobicContact CD2-CZ3 4.47Å; F76-W131 HydrophobicContact CE2-CD2 4.22Å; F76-W131 AromaticContact CE2-CE3 3.94Å; F76-W131 HydrophobicContact CE2-CE3 3.94Å; F76-W131 AromaticContact CE2-CH2 3.37Å; F76-W131 HydrophobicContact CE2-CH2 3.37Å; F76-W131 AromaticContact CE2-CZ2 3.64Å; F76-W131 HydrophobicContact CE2-CZ2 3.64Å; F76-W131 AromaticContact CE2-CZ3 3.53Å; F76-W131 HydrophobicContact CE2-CZ3 3.53Å; F76-W131 HydrophobicContact CZ-CH2 4.25Å; F76-W131 HydrophobicContact CZ-CZ3 4.2Å
77	N	85	Confident	91.6	Very high	138 Å²	138	73 Å²	73	74%	0.738	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-64	-12.6	177	-61.6	-31.1	0	0	0	113.5	E74 R75	E74-N77 WeakPolarHBondContact O-CB 3.39Å; E74-N77 PolarHBondContact O-N 2.94Å; R75-N77 VanDerWaalsContact C-N 3.26Å; R75-N77 PolarHBondContact O-N 2.95Å
78	Q	85.5	Confident	92	Very high	91 Å²	91	74.4 Å²	74.4	43%	0.425	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-89.6	-16.5	176.7	-59.7	171.1	46.3	0	0	111.8	R75 F76	R75-Q78 WeakPolarHBondContact O-CB 3.37Å; R75-Q78 PolarHBondContact O-N 2.93Å; R75-Q78 VanDerWaalsContact O-N 3.12Å; F76-Q78 PolarHBondContact O-N 2.99Å
79	L	91.2	Very high	92.2	Very high	20 Å²	20	70.3 Å²	70.3	11%	0.105	36%	0.359	C	S	.	.			trans	-79.3	154.3	175.8	-55	-176.9	0	0	0	110.5	I69 F76 V100 T102 W131 E145	I69-L79 HydrophobicContact CD1-CD1 4.21Å; I69-L79 HydrophobicContact CD1-CD2 4.15Å; I69-L79 HydrophobicContact CD1-CG 4.35Å; I69-L79 HydrophobicContact CG2-CD1 4.02Å; F76-L79 HydrophobicContact CD2-CD1 4.04Å; F76-L79 HydrophobicContact CE2-CD1 4.38Å; F76-L79 WeakPolarHBondContact O-CB 3.18Å; F76-L79 PolarHBondContact O-N 2.82Å; L79-V100 HydrophobicContact CB-CG1 3.61Å; L79-V100 HydrophobicContact CD1-CG1 3.63Å; L79-V100 HydrophobicContact CG-CG1 4.26Å; L79-T102 HydrophobicContact CD2-CG2 3.68Å; L79-W131 HydrophobicContact CD1-CG 4.41Å; L79-E145 WeakPolarHBondContact CD2-O 3.36Å
80	V	91.8	Very high	92.3	Very high	50 Å²	50	73.8 Å²	73.8	30%	0.303	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.9	-179.5	-64.9	0	0	0	0	110	M101 K106	V80-M101 WeakPolarHBondContact CG2-O 3.15Å; V80-M101 PolarHBondContact N-O 2.9Å; V80-M101 PolarHBondContact O-N 3.37Å; V80-M101 VanDerWaalsContact O-O 3.1Å; V80-K106 HydrophobicContact CG2-CB 4.21Å; V80-K106 HydrophobicContact CG2-CD 3.72Å
81	C	95.3	Very high	92.4	Very high	50 Å²	50	72.2 Å²	72.2	34%	0.338	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	139.8	170.5	-63.2	0	0	0	0	110.8	Y83 R99 K106	C81-Y83 HydrophobicContact CB-CD2 4.02Å; C81-Y83 HydrophobicContact CB-CE2 3.34Å; C81-R99 CarbonylContact C-O 3.57Å; C81-R99 VanDerWaalsContact CA-O 3.3Å; C81-R99 WeakPolarHBondContact CA-O 3.39Å; C81-K106 PolarHBondContact O-NZ 3.13Å; C81-K106 VanDerWaalsContact O-NZ 3.16Å
82	N	95.7	Very high	92.4	Very high	3 Å²	3	70.2 Å²	70.2	2%	0.016	36%	0.357	C	S	.	.			trans	-102.5	116.9	169.9	-161.9	-3.6	0	0	0	111.2	N84 F89 R99 M101 K106 N110	N82-N84 WeakPolarHBondContact OD1-CB 3.45Å; N82-N84 PolarHBondContact OD1-N 2.84Å; N82-N84 VanDerWaalsContact OD1-N 3.11Å; N82-F89 HydrophobicContact CB-CZ 4.04Å; N82-R99 PolarHBondContact N-O 3.42Å; N82-R99 PolarHBondContact O-NH1 3.12Å; N82-M101 HydrophobicContact CB-CE 3.78Å; N82-M101 HydrophobicContact CB-SD 3.88Å; N82-K106 HydrophobicContact CB-CD 4.4Å; N82-K106 HydrophobicContact CB-CG 4.3Å; N82-N110 PolarHBondContact ND2-OD1 2.72Å; N82-N110 PolarHBondContact OD1-OD1 3.32Å
83	Y	95.2	Very high	92.5	Very high	157 Å²	157	64.6 Å²	64.6	62%	0.616	33%	0.326	S	S	*	.			trans	-116.5	25.3	178.3	-63.9	-71.9	0	0	0	111.7	C81 P85	C81-Y83 HydrophobicContact CB-CD2 4.02Å; C81-Y83 HydrophobicContact CB-CE2 3.34Å; Y83-P85 WeakPolarHBondContact O-CD 3.36Å
84	N	93.1	Very high	92.5	Very high	29 Å²	29	70 Å²	70	16%	0.155	35%	0.352	C	S	.	.			trans	-57.4	121.7	175.6	-174.1	-14.4	0	0	0	109.7	N82 D86 I87 N110	N82-N84 WeakPolarHBondContact OD1-CB 3.45Å; N82-N84 PolarHBondContact OD1-N 2.84Å; N82-N84 VanDerWaalsContact OD1-N 3.11Å; N84-D86 PolarHBondContact O-N 2.84Å; N84-D86 WeakPolarHBondContact OD1-CB 3.33Å; N84-D86 PolarHBondContact OD1-N 2.9Å; N84-I87 HydrophobicContact CB-CD1 3.86Å; N84-I87 HydrophobicContact CB-CG1 4.07Å; N84-I87 PolarHBondContact O-N 3.1Å; N84-N110 WeakPolarHBondContact CB-OD1 3.28Å; N84-N110 PolarHBondContact ND2-OD1 3.28Å
85	P	95.1	Very high	92.7	Very high	116 Å²	116	64.4 Å²	64.4	75%	0.753	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.2	-179	28.9	-37	0	0	0	113.1	Y83 I87	Y83-P85 WeakPolarHBondContact O-CD 3.36Å; P85-I87 PolarHBondContact O-N 2.81Å
86	D	95.2	Very high	93	Very high	55 Å²	55	63.4 Å²	63.4	29%	0.294	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	3.8	-178.4	-57.7	-35.9	0	0	0	112.9	N84 A113 M117	N84-D86 PolarHBondContact O-N 2.84Å; N84-D86 WeakPolarHBondContact OD1-CB 3.33Å; N84-D86 PolarHBondContact OD1-N 2.9Å; D86-A113 HydrophobicContact CB-CB 4.47Å; D86-M117 HydrophobicContact CB-SD 3.63Å
87	I	98.1	Very high	93.2	Very high	8 Å²	8	61.7 Å²	61.7	4%	0.041	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.6	178.8	-55.1	175.9	0	0	0	109.7	N84 P85 F89 L109 A113 L125 V127	N84-I87 HydrophobicContact CB-CD1 3.86Å; N84-I87 HydrophobicContact CB-CG1 4.07Å; N84-I87 PolarHBondContact O-N 3.1Å; P85-I87 PolarHBondContact O-N 2.81Å; I87-F89 HydrophobicContact CB-CD2 4.38Å; I87-F89 HydrophobicContact CB-CE2 3.71Å; I87-F89 HydrophobicContact CB-CZ 4.15Å; I87-F89 HydrophobicContact CG2-CD2 4Å; I87-F89 HydrophobicContact CG2-CE1 4.21Å; I87-F89 HydrophobicContact CG2-CE2 3.49Å; I87-F89 VanDerWaalsContact CG2-CE2 3.49Å; I87-F89 HydrophobicContact CG2-CZ 3.61Å; I87-F89 WeakPolarHBondContact O-CD2 3.38Å; I87-L109 HydrophobicContact CD1-CD2 3.82Å; I87-L109 HydrophobicContact CD1-CG 3.82Å; I87-A113 HydrophobicContact CD1-CB 4.02Å; I87-A113 HydrophobicContact CG1-CB 3.61Å; I87-L125 WeakPolarHBondContact CA-O 3.34Å; I87-L125 HydrophobicContact CD1-CD2 4.42Å; I87-L125 HydrophobicContact CG1-CD2 4.39Å; I87-V127 HydrophobicContact CG2-CG2 3.82Å
88	V	98.1	Very high	93.7	Very high	60 Å²	60	55.1 Å²	55.1	36%	0.364	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	118	173.4	-177.7	0	0	0	0	108.9	H124 L125 R126 V127 D154	V88-H124 HydrophobicContact CG2-CB 4.27Å; V88-L125 PolarHBondContact N-O 2.95Å; V88-R126 HydrophobicContact CB-CB 4.14Å; V88-R126 HydrophobicContact CB-CG 4.13Å; V88-R126 HydrophobicContact CG1-CG 4.17Å; V88-R126 CarbonylContact O-C 3.46Å; V88-R126 WeakPolarHBondContact O-CA 3.47Å; V88-V127 PolarHBondContact O-N 3.19Å; V88-D154 HydrophobicContact CG2-CB 4.07Å
89	F	97.9	Very high	94.3	Very high	19 Å²	19	53.5 Å²	53.5	8%	0.083	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	135.5	173.7	-67.4	-91	0	0	0	109.4	N82 I87 D98 R99 M101 L109 V127	N82-F89 HydrophobicContact CB-CZ 4.04Å; I87-F89 HydrophobicContact CB-CD2 4.38Å; I87-F89 HydrophobicContact CB-CE2 3.71Å; I87-F89 HydrophobicContact CB-CZ 4.15Å; I87-F89 HydrophobicContact CG2-CD2 4Å; I87-F89 HydrophobicContact CG2-CE1 4.21Å; I87-F89 HydrophobicContact CG2-CE2 3.49Å; I87-F89 VanDerWaalsContact CG2-CE2 3.49Å; I87-F89 HydrophobicContact CG2-CZ 3.61Å; I87-F89 WeakPolarHBondContact O-CD2 3.38Å; F89-D98 HydrophobicContact CD1-CB 4.13Å; F89-D98 VanDerWaalsContact CD1-O 3.26Å; F89-D98 WeakPolarHBondContact CD1-O 3.21Å; F89-D98 WeakPolarHBondContact CE1-O 3.31Å; F89-R99 HydrophobicContact CB-CG 4.39Å; F89-R99 HydrophobicContact CD1-CG 3.99Å; F89-R99 HydrophobicContact CD2-CG 4.23Å; F89-R99 HydrophobicContact CE1-CG 4.31Å; F89-R99 HydrophobicContact CG-CG 3.93Å; F89-M101 HydrophobicContact CE1-CE 4.04Å; F89-M101 HydrophobicContact CZ-CE 4.36Å; F89-L109 HydrophobicContact CE1-CD2 4.47Å; F89-L109 HydrophobicContact CZ-CD2 4.33Å; F89-V127 HydrophobicContact CD1-CB 3.75Å; F89-V127 HydrophobicContact CD1-CG1 4.09Å; F89-V127 HydrophobicContact CD1-CG2 4.11Å; F89-V127 HydrophobicContact CE1-CB 3.96Å; F89-V127 HydrophobicContact CE1-CG1 4.26Å; F89-V127 HydrophobicContact CE1-CG2 3.81Å; F89-V127 HydrophobicContact CZ-CG2 4.45Å
90	K	96.4	Very high	94.6	Very high	78 Å²	78	53.1 Å²	53.1	34%	0.339	28%	0.28	S	S	.	.			trans	-70	-48.5	179	-175	-172.8	-176.1	-161	0	111	E92 R126 V127 T128	K90-E92 VanDerWaalsContact C-N 3.32Å; K90-E92 HydrophobicContact CD-CB 4.45Å; K90-E92 HydrophobicContact CD-CG 4.4Å; K90-E92 WeakPolarHBondContact CE-OE2 3.45Å; K90-E92 HydrophobicContact CG-CB 4.31Å; K90-E92 IonicContact NZ-OE1 3.72Å; K90-E92 PolarHBondContact NZ-OE1 2.9Å; K90-E92 IonicContact NZ-OE2 2.63Å; K90-E92 PolarHBondContact NZ-OE2 2.71Å; K90-E92 PolarHBondContact O-N 2.86Å; K90-R126 VanDerWaalsContact CG-NH2 3.32Å; K90-V127 WeakPolarHBondContact CB-O 3.39Å; K90-V127 PolarHBondContact N-O 3.28Å; K90-T128 HydrophobicContact CD-CG2 4.28Å
91	D	93.3	Very high	94.8	Very high	30 Å²	30	50.7 Å²	50.7	16%	0.16	27%	0.265	C	S	.	.			trans	45.1	54.6	176.8	-166.1	13.9	0	0	0	111.8	E93 N94 T95 S96 D98	D91-E93 PolarHBondContact O-N 2.88Å; D91-N94 PolarHBondContact O-N 3.14Å; D91-N94 PolarHBondContact OD1-N 2.91Å; D91-T95 PolarHBondContact OD1-N 3.05Å; D91-S96 WeakPolarHBondContact OD1-CA 3.21Å; D91-S96 PolarHBondContact OD1-N 2.89Å; D91-S96 WeakPolarHBondContact OD2-CA 3.3Å; D91-S96 PolarHBondContact OD2-N 2.85Å; D91-S96 PolarHBondContact OD2-OG 2.9Å; D91-D98 PolarHBondContact N-OD2 2.76Å
92	E	91.3	Very high	94.8	Very high	104 Å²	104	48.8 Å²	48.8	49%	0.486	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-21.7	-176.4	65.3	-173.8	155	0	0	112.6	K90 N94	K90-E92 VanDerWaalsContact C-N 3.32Å; K90-E92 HydrophobicContact CD-CB 4.45Å; K90-E92 HydrophobicContact CD-CG 4.4Å; K90-E92 WeakPolarHBondContact CE-OE2 3.45Å; K90-E92 HydrophobicContact CG-CB 4.31Å; K90-E92 IonicContact NZ-OE1 3.72Å; K90-E92 PolarHBondContact NZ-OE1 2.9Å; K90-E92 IonicContact NZ-OE2 2.63Å; K90-E92 PolarHBondContact NZ-OE2 2.71Å; K90-E92 PolarHBondContact O-N 2.86Å; E92-N94 VanDerWaalsContact C-N 3.28Å; E92-N94 PolarHBondContact O-N 3.29Å; E92-N94 PolarHBondContact O-ND2 2.83Å
93	E	89.3	Confident	94.5	Very high	43 Å²	43	54.7 Å²	54.7	20%	0.201	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-20.9	175.1	-59.8	68.4	-144.8	0	0	111.8	D91 T95	D91-E93 PolarHBondContact O-N 2.88Å; E93-T95 HydrophobicContact CB-CG2 4.13Å; E93-T95 PolarHBondContact O-N 3.11Å
94	N	91.9	Very high	94.1	Very high	142 Å²	142	48 Å²	48	76%	0.759	25%	0.251	S	S	*	.	S	Bend	trans	56.5	27.1	-170.6	-55	-85.5	0	0	0	113.6	D91 E92	D91-N94 PolarHBondContact O-N 3.14Å; D91-N94 PolarHBondContact OD1-N 2.91Å; E92-N94 VanDerWaalsContact C-N 3.28Å; E92-N94 PolarHBondContact O-N 3.29Å; E92-N94 PolarHBondContact O-ND2 2.83Å
95	T	90.6	Very high	94.3	Very high	53 Å²	53	46.7 Å²	46.7	33%	0.325	24%	0.244	S	C	.	.	S	Bend	trans	-106	-6.2	178.3	60.4	0	0	0	0	112.5	D91 E93 A97 E133	D91-T95 PolarHBondContact OD1-N 3.05Å; E93-T95 HydrophobicContact CB-CG2 4.13Å; E93-T95 PolarHBondContact O-N 3.11Å; T95-A97 PolarHBondContact O-N 3.36Å; T95-A97 VanDerWaalsContact OG1-CB 3.29Å; T95-A97 WeakPolarHBondContact OG1-CB 3.47Å; T95-A97 PolarHBondContact OG1-N 3.12Å; T95-E133 WeakPolarHBondContact CB-OE1 3.3Å; T95-E133 PolarHBondContact OG1-OE1 3.43Å
96	S	92.6	Very high	94.2	Very high	45 Å²	45	44 Å²	44	32%	0.315	22%	0.22	S	C	.	.			trans	59.1	21.8	-169.7	-63.5	0	0	0	0	113.7	D91 D98 R99	D91-S96 WeakPolarHBondContact OD1-CA 3.21Å; D91-S96 PolarHBondContact OD1-N 2.89Å; D91-S96 WeakPolarHBondContact OD2-CA 3.3Å; D91-S96 PolarHBondContact OD2-N 2.85Å; D91-S96 PolarHBondContact OD2-OG 2.9Å; S96-D98 VanDerWaalsContact C-N 3.28Å; S96-D98 PolarHBondContact O-N 3.07Å; S96-R99 WeakPolarHBondContact O-CB 3.47Å; S96-R99 PolarHBondContact O-N 2.8Å; S96-R99 VanDerWaalsContact O-N 3.08Å
97	A	94.3	Very high	93.8	Very high	5 Å²	5	45 Å²	45	4%	0.041	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-60.9	-38.1	177.9	0	0	0	0	0	111.8	T95 R99 V100 W131	T95-A97 PolarHBondContact O-N 3.36Å; T95-A97 VanDerWaalsContact OG1-CB 3.29Å; T95-A97 WeakPolarHBondContact OG1-CB 3.47Å; T95-A97 PolarHBondContact OG1-N 3.12Å; A97-R99 PolarHBondContact O-N 3Å; A97-V100 WeakPolarHBondContact O-CB 3.43Å; A97-V100 PolarHBondContact O-N 3.34Å; A97-W131 HydrophobicContact CB-CE3 3.92Å; A97-W131 HydrophobicContact CB-CZ3 4.25Å; A97-W131 WeakPolarHBondContact CB-O 3.44Å
98	D	96.8	Very high	93.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-54.3	-22.1	172.5	-92.1	-4.5	0	0	0	115.1	F89 D91 S96 E129 A130	F89-D98 HydrophobicContact CD1-CB 4.13Å; F89-D98 VanDerWaalsContact CD1-O 3.26Å; F89-D98 WeakPolarHBondContact CD1-O 3.21Å; F89-D98 WeakPolarHBondContact CE1-O 3.31Å; D91-D98 PolarHBondContact N-OD2 2.76Å; S96-D98 VanDerWaalsContact C-N 3.28Å; S96-D98 PolarHBondContact O-N 3.07Å; D98-E129 WeakPolarHBondContact OD1-CA 3.39Å; D98-A130 WeakPolarHBondContact O-CB 3.47Å; D98-A130 PolarHBondContact OD1-N 3.19Å; D98-A130 VanDerWaalsContact OD1-N 3.1Å
99	R	97.4	Very high	93.5	Very high	57 Å²	57	41.8 Å²	41.8	22%	0.215	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-89.5	-15.3	179	-60.5	179.8	177.1	-81.4	-2.1	112.4	C81 N82 F89 S96 A97	C81-R99 CarbonylContact C-O 3.57Å; C81-R99 VanDerWaalsContact CA-O 3.3Å; C81-R99 WeakPolarHBondContact CA-O 3.39Å; N82-R99 PolarHBondContact N-O 3.42Å; N82-R99 PolarHBondContact O-NH1 3.12Å; F89-R99 HydrophobicContact CB-CG 4.39Å; F89-R99 HydrophobicContact CD1-CG 3.99Å; F89-R99 HydrophobicContact CD2-CG 4.23Å; F89-R99 HydrophobicContact CE1-CG 4.31Å; F89-R99 HydrophobicContact CG-CG 3.93Å; S96-R99 WeakPolarHBondContact O-CB 3.47Å; S96-R99 PolarHBondContact O-N 2.8Å; S96-R99 VanDerWaalsContact O-N 3.08Å; A97-R99 PolarHBondContact O-N 3Å
100	V	96.9	Very high	93.2	Very high	11 Å²	11	42.5 Å²	42.5	7%	0.067	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.2	-174.6	-176.6	0	0	0	0	109.2	F76 L79 A97 W131	F76-V100 HydrophobicContact CE2-CG1 3.85Å; F76-V100 HydrophobicContact CZ-CG1 4.18Å; F76-V100 HydrophobicContact CZ-CG2 4.44Å; L79-V100 HydrophobicContact CB-CG1 3.61Å; L79-V100 HydrophobicContact CD1-CG1 3.63Å; L79-V100 HydrophobicContact CG-CG1 4.26Å; A97-V100 WeakPolarHBondContact O-CB 3.43Å; A97-V100 PolarHBondContact O-N 3.34Å; V100-W131 HydrophobicContact CB-CB 4.09Å; V100-W131 HydrophobicContact CB-CD2 4.32Å; V100-W131 HydrophobicContact CB-CE3 3.89Å; V100-W131 HydrophobicContact CB-CG 4.44Å; V100-W131 HydrophobicContact CG1-CB 4.4Å; V100-W131 HydrophobicContact CG1-CD2 4.21Å; V100-W131 HydrophobicContact CG1-CE3 4.08Å; V100-W131 HydrophobicContact CG1-CG 4.37Å; V100-W131 HydrophobicContact CG2-CE3 4.14Å; V100-W131 WeakPolarHBondContact O-CB 3.28Å
101	M	97.2	Very high	92.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	167.8	-178.6	61.3	-167.2	66.5	0	0	111.3	V80 N82 F89 C105 K106 L109 G146	V80-M101 WeakPolarHBondContact CG2-O 3.15Å; V80-M101 PolarHBondContact N-O 2.9Å; V80-M101 PolarHBondContact O-N 3.37Å; V80-M101 VanDerWaalsContact O-O 3.1Å; N82-M101 HydrophobicContact CB-CE 3.78Å; N82-M101 HydrophobicContact CB-SD 3.88Å; F89-M101 HydrophobicContact CE1-CE 4.04Å; F89-M101 HydrophobicContact CZ-CE 4.36Å; M101-C105 HydrophobicContact CB-CB 3.93Å; M101-C105 HydrophobicContact CG-CB 4.28Å; M101-K106 HydrophobicContact CG-CB 3.92Å; M101-K106 WeakPolarHBondContact SD-CA 3.38Å; M101-K106 HydrophobicContact SD-CB 3.82Å; M101-L109 HydrophobicContact CE-CD2 3.71Å; M101-L109 HydrophobicContact SD-CD2 3.87Å; M101-G146 CarbonylContact C-O 3.43Å; M101-G146 VanDerWaalsContact CA-O 3.25Å; M101-G146 WeakPolarHBondContact CA-O 3.17Å; M101-G146 WeakPolarHBondContact CB-O 3.09Å
102	T	95.2	Very high	93	Very high	9 Å²	9	38.1 Å²	38.1	6%	0.055	19%	0.19	C	C	.	.			trans	-67.1	162.8	171.8	62.2	0	0	0	0	111.2	L79 R104 C105 K106 G146 R147	L79-T102 HydrophobicContact CD2-CG2 3.68Å; T102-R104 VanDerWaalsContact C-N 3.31Å; T102-R104 PolarHBondContact O-N 2.93Å; T102-C105 PolarHBondContact O-N 3.29Å; T102-C105 VanDerWaalsContact OG1-CB 3.32Å; T102-C105 WeakPolarHBondContact OG1-CB 3.47Å; T102-C105 PolarHBondContact OG1-N 3.11Å; T102-K106 PolarHBondContact O-N 3.12Å; T102-G146 PolarHBondContact N-O 3.49Å; T102-R147 HydrophobicContact CG2-CG 3.49Å; T102-R147 VanDerWaalsContact CG2-CG 3.49Å
103	K	87.9	Confident	93.2	Very high	128 Å²	128	33.1 Å²	33.1	56%	0.557	17%	0.167	S	C	*	.	H	α-helix	trans	-61.1	-44	178.9	-175	-178	174.9	-173.2	0	110.9	C105 K106 D107 D191	K103-C105 VanDerWaalsContact C-N 3.34Å; K103-C105 PolarHBondContact O-N 3.26Å; K103-K106 WeakPolarHBondContact O-CB 3.33Å; K103-K106 PolarHBondContact O-N 3.49Å; K103-D107 VanDerWaalsContact O-CG 3.28Å; K103-D107 PolarHBondContact O-N 2.85Å; K103-D191 PolarHBondContact N-OD2 3.03Å; K103-D191 VanDerWaalsContact N-OD2 3.09Å
104	R	88.3	Confident	93.2	Very high	17 Å²	17	35.6 Å²	35.6	6%	0.064	18%	0.181	C	C	.	.	H	α-helix	trans	-60	-43.7	176.8	-178	174.2	-178.5	72.5	0.6	112.3	T102 K106 D107 C108 D174 V188 D191 H445	T102-R104 VanDerWaalsContact C-N 3.31Å; T102-R104 PolarHBondContact O-N 2.93Å; R104-K106 VanDerWaalsContact C-N 3.32Å; R104-K106 PolarHBondContact O-N 2.86Å; R104-D107 PolarHBondContact O-N 3.43Å; R104-C108 PolarHBondContact O-N 2.82Å; R104-C108 PolarHBondContact O-SG 2.95Å; R104-C108 VanDerWaalsContact O-SG 3.38Å; R104-D174 IonicContact CZ-OD1 3.75Å; R104-D174 IonicContact CZ-OD2 2.87Å; R104-D174 IonicContact NE-OD1 3.91Å; R104-D174 IonicContact NE-OD2 3.96Å; R104-D174 PolarHBondContact NE-OD2 3.35Å; R104-D174 IonicContact NH2-OD1 2.98Å; R104-D174 PolarHBondContact NH2-OD1 3.36Å; R104-D174 IonicContact NH2-OD2 3.74Å; R104-D174 PolarHBondContact NH2-OD2 3.42Å; R104-V188 HydrophobicContact CB-CG2 4.36Å; R104-V188 HydrophobicContact CG-CB 4.02Å; R104-V188 HydrophobicContact CG-CG1 4.23Å; R104-V188 HydrophobicContact CG-CG2 4.29Å; R104-D191 WeakPolarHBondContact CB-OD1 3.48Å; R104-D191 PolarHBondContact N-OD1 2.72Å; R104-H445 PolarHBondContact NH1-CE1 3.41Å; R104-H445 PolarHBondContact NH1-NE2 3.34Å; R104-H445 PolarHBondContact NH2-CE1 3.3Å; R104-H445 PolarHBondContact NH2-ND1 3.3Å
105	C	95.8	Very high	93.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.8	-44.9	178.8	-172	0	0	0	0	110.8	M101 T102 K103 D107 C108 L109 V188	M101-C105 HydrophobicContact CB-CB 3.93Å; M101-C105 HydrophobicContact CG-CB 4.28Å; T102-C105 PolarHBondContact O-N 3.29Å; T102-C105 VanDerWaalsContact OG1-CB 3.32Å; T102-C105 WeakPolarHBondContact OG1-CB 3.47Å; T102-C105 PolarHBondContact OG1-N 3.11Å; K103-C105 VanDerWaalsContact C-N 3.34Å; K103-C105 PolarHBondContact O-N 3.26Å; C105-D107 PolarHBondContact O-N 3.21Å; C105-C108 PolarHBondContact O-N 2.93Å; C105-L109 VanDerWaalsContact O-CB 3.24Å; C105-L109 WeakPolarHBondContact O-CB 3.29Å; C105-L109 PolarHBondContact O-N 3.24Å; C105-V188 HydrophobicContact CB-CG1 4.49Å; C105-V188 HydrophobicContact CB-CG2 3.69Å
106	K	94	Very high	93.5	Very high	60 Å²	60	27.7 Å²	27.7	26%	0.261	14%	0.14	S	C	.	.	H	α-helix	trans	-57.5	-45.2	174.4	175.7	174	178.6	172.6	0	112.7	V80 C81 N82 M101 T102 K103 R104 L109 N110	V80-K106 HydrophobicContact CG2-CB 4.21Å; V80-K106 HydrophobicContact CG2-CD 3.72Å; C81-K106 PolarHBondContact O-NZ 3.13Å; C81-K106 VanDerWaalsContact O-NZ 3.16Å; N82-K106 HydrophobicContact CB-CD 4.4Å; N82-K106 HydrophobicContact CB-CG 4.3Å; M101-K106 HydrophobicContact CG-CB 3.92Å; M101-K106 WeakPolarHBondContact SD-CA 3.38Å; M101-K106 HydrophobicContact SD-CB 3.82Å; T102-K106 PolarHBondContact O-N 3.12Å; K103-K106 WeakPolarHBondContact O-CB 3.33Å; K103-K106 PolarHBondContact O-N 3.49Å; R104-K106 VanDerWaalsContact C-N 3.32Å; R104-K106 PolarHBondContact O-N 2.86Å; K106-L109 PolarHBondContact O-N 3.23Å; K106-N110 WeakPolarHBondContact O-CB 3.32Å; K106-N110 PolarHBondContact O-N 3.41Å; K106-N110 PolarHBondContact O-ND2 2.8Å
107	D	87.4	Confident	93.5	Very high	76 Å²	76	28.4 Å²	28.4	41%	0.406	14%	0.139	S	C	.	.	H	α-helix	trans	-65.5	-42.6	-178.7	-65.7	-18.8	0	0	0	111.6	K103 R104 C105 R111	K103-D107 VanDerWaalsContact O-CG 3.28Å; K103-D107 PolarHBondContact O-N 2.85Å; R104-D107 PolarHBondContact O-N 3.43Å; C105-D107 PolarHBondContact O-N 3.21Å; D107-R111 PolarHBondContact O-N 3.03Å
108	C	92.1	Very high	93.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67	-41	174.6	-60.8	0	0	0	0	112.2	R104 C105 R111 L112 G172 F173 V188	R104-C108 PolarHBondContact O-N 2.82Å; R104-C108 PolarHBondContact O-SG 2.95Å; R104-C108 VanDerWaalsContact O-SG 3.38Å; C105-C108 PolarHBondContact O-N 2.93Å; C108-R111 PolarHBondContact O-N 3.04Å; C108-R111 PolarHBondContact SG-NH2 3.49Å; C108-L112 WeakPolarHBondContact O-CB 3.19Å; C108-L112 PolarHBondContact O-N 3.26Å; C108-G172 PolarHBondContact SG-O 3.15Å; C108-F173 HydrophobicContact CB-CD1 4.2Å; C108-F173 HydrophobicContact CB-CD2 3.9Å; C108-F173 HydrophobicContact CB-CE1 4.09Å; C108-F173 HydrophobicContact CB-CE2 3.76Å; C108-F173 HydrophobicContact CB-CG 4.13Å; C108-F173 HydrophobicContact CB-CZ 3.87Å; C108-V188 HydrophobicContact CB-CG1 4.49Å
109	L	96.7	Very high	93.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.3	-39.2	-179.9	-165.8	75	0	0	0	112.2	I87 F89 M101 C105 K106 L112 A113 L125 V127 V149 I151 F173	I87-L109 HydrophobicContact CD1-CD2 3.82Å; I87-L109 HydrophobicContact CD1-CG 3.82Å; F89-L109 HydrophobicContact CE1-CD2 4.47Å; F89-L109 HydrophobicContact CZ-CD2 4.33Å; M101-L109 HydrophobicContact CE-CD2 3.71Å; M101-L109 HydrophobicContact SD-CD2 3.87Å; C105-L109 VanDerWaalsContact O-CB 3.24Å; C105-L109 WeakPolarHBondContact O-CB 3.29Å; C105-L109 PolarHBondContact O-N 3.24Å; K106-L109 PolarHBondContact O-N 3.23Å; L109-L112 PolarHBondContact O-N 2.99Å; L109-A113 PolarHBondContact O-N 3.4Å; L109-L125 HydrophobicContact CD1-CD2 3.63Å; L109-L125 HydrophobicContact CG-CD2 3.95Å; L109-V127 HydrophobicContact CD1-CG2 4.06Å; L109-V127 HydrophobicContact CD2-CG2 3.83Å; L109-V127 HydrophobicContact CG-CG2 4.49Å; L109-V149 HydrophobicContact CD1-CG2 4.11Å; L109-I151 HydrophobicContact CD1-CG2 4.13Å; L109-F173 HydrophobicContact CB-CZ 4.2Å; L109-F173 HydrophobicContact CD1-CZ 4Å
110	N	91.5	Very high	93.3	Very high	35 Å²	35	37.1 Å²	37.1	19%	0.187	18%	0.184	C	C	.	.	H	α-helix	trans	-67.2	-40.2	177	-71.6	-21.6	0	0	0	112.3	N82 N84 K106 L112 A113 I114	N82-N110 PolarHBondContact ND2-OD1 2.72Å; N82-N110 PolarHBondContact OD1-OD1 3.32Å; N84-N110 WeakPolarHBondContact CB-OD1 3.28Å; N84-N110 PolarHBondContact ND2-OD1 3.28Å; K106-N110 WeakPolarHBondContact O-CB 3.32Å; K106-N110 PolarHBondContact O-N 3.41Å; K106-N110 PolarHBondContact O-ND2 2.8Å; N110-L112 VanDerWaalsContact C-N 3.33Å; N110-A113 WeakPolarHBondContact O-CB 2.92Å; N110-A113 PolarHBondContact O-N 2.89Å; N110-I114 PolarHBondContact O-N 3.1Å
111	R	89	Confident	93.2	Very high	15 Å²	15	42.2 Å²	42.2	6%	0.057	22%	0.218	C	C	.	.	H	α-helix	trans	-58.4	-47.2	170.1	-85.4	-170.6	-85.5	161.7	5.4	112	D107 C108 A113 I114 A115 A171 S441 D442 H445	D107-R111 PolarHBondContact O-N 3.03Å; C108-R111 PolarHBondContact O-N 3.04Å; C108-R111 PolarHBondContact SG-NH2 3.49Å; R111-A113 VanDerWaalsContact C-N 3.27Å; R111-A113 PolarHBondContact O-N 3.08Å; R111-I114 PolarHBondContact O-N 2.77Å; R111-A115 PolarHBondContact O-N 2.85Å; R111-A171 HydrophobicContact CB-CB 4.15Å; R111-A171 PolarHBondContact NE-O 3.08Å; R111-A171 PolarHBondContact NH1-O 2.9Å; R111-A171 VanDerWaalsContact NH1-O 3.07Å; R111-A171 PolarHBondContact NH2-O 3.05Å; R111-S441 WeakPolarHBondContact CD-OG 3.33Å; R111-S441 WeakPolarHBondContact CG-OG 3.4Å; R111-S441 PolarHBondContact NH1-O 3.27Å; R111-D442 VanDerWaalsContact CD-OD1 3.31Å; R111-D442 WeakPolarHBondContact CD-OD1 3.42Å; R111-H445 PolarHBondContact NH1-O 2.93Å
112	L	96.6	Very high	93.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-60.6	-39	179.5	-177.7	56.7	0	0	0	111.6	C108 L109 N110 I114 A115 V116 L125 I151 L164 L167 A168 A171 F173	C108-L112 WeakPolarHBondContact O-CB 3.19Å; C108-L112 PolarHBondContact O-N 3.26Å; L109-L112 PolarHBondContact O-N 2.99Å; N110-L112 VanDerWaalsContact C-N 3.33Å; L112-I114 VanDerWaalsContact C-N 3.34Å; L112-I114 PolarHBondContact O-N 2.81Å; L112-A115 PolarHBondContact O-N 3.02Å; L112-V116 HydrophobicContact CD1-CG2 4.05Å; L112-V116 HydrophobicContact CG-CG2 4.23Å; L112-V116 WeakPolarHBondContact O-CB 3.44Å; L112-V116 VanDerWaalsContact O-CG2 3.28Å; L112-V116 WeakPolarHBondContact O-CG2 3.43Å; L112-V116 PolarHBondContact O-N 2.89Å; L112-L125 HydrophobicContact CB-CD2 4.1Å; L112-L125 HydrophobicContact CD2-CD1 3.96Å; L112-L125 HydrophobicContact CD2-CD2 4.08Å; L112-L125 HydrophobicContact CG-CD1 4.16Å; L112-L125 HydrophobicContact CG-CD2 3.95Å; L112-I151 HydrophobicContact CD2-CD1 3.35Å; L112-L164 HydrophobicContact CD1-CD1 4.42Å; L112-L167 HydrophobicContact CD1-CB 3.63Å; L112-A168 HydrophobicContact CD1-CB 4.31Å; L112-A168 HydrophobicContact CD2-CB 3.8Å; L112-A171 HydrophobicContact CB-CB 3.76Å; L112-A171 HydrophobicContact CD1-CB 4.18Å; L112-F173 HydrophobicContact CB-CE2 4.21Å; L112-F173 HydrophobicContact CD2-CE2 3.85Å
113	A	95.1	Very high	93.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.6	-46.9	176.3	0	0	0	0	0	111.9	D86 I87 L109 N110 R111 A115 V116 M117 L125	D86-A113 HydrophobicContact CB-CB 4.47Å; I87-A113 HydrophobicContact CD1-CB 4.02Å; I87-A113 HydrophobicContact CG1-CB 3.61Å; L109-A113 PolarHBondContact O-N 3.4Å; N110-A113 WeakPolarHBondContact O-CB 2.92Å; N110-A113 PolarHBondContact O-N 2.89Å; R111-A113 VanDerWaalsContact C-N 3.27Å; R111-A113 PolarHBondContact O-N 3.08Å; A113-A115 PolarHBondContact O-N 3.32Å; A113-V116 PolarHBondContact O-N 3.11Å; A113-M117 WeakPolarHBondContact O-CG 3.36Å; A113-M117 PolarHBondContact O-N 2.8Å; A113-M117 VanDerWaalsContact O-N 3.08Å; A113-L125 HydrophobicContact CB-CB 4.24Å; A113-L125 HydrophobicContact CB-CD2 4.18Å
114	I	90.2	Very high	93.7	Very high	95 Å²	95	42.2 Å²	42.2	49%	0.487	24%	0.238	S	C	.	.	H	α-helix	trans	-60.7	-46.1	175.6	-62.2	165.2	0	0	0	110.5	N110 R111 L112 V116 M117 N118	N110-I114 PolarHBondContact O-N 3.1Å; R111-I114 PolarHBondContact O-N 2.77Å; L112-I114 VanDerWaalsContact C-N 3.34Å; L112-I114 PolarHBondContact O-N 2.81Å; I114-V116 VanDerWaalsContact C-N 3.34Å; I114-V116 PolarHBondContact O-N 2.73Å; I114-M117 PolarHBondContact O-N 3.02Å; I114-N118 WeakPolarHBondContact O-CB 3.33Å; I114-N118 VanDerWaalsContact O-CG 3.27Å; I114-N118 PolarHBondContact O-N 3.27Å; I114-N118 PolarHBondContact O-ND2 3.14Å
115	A	91.6	Very high	94.2	Very high	28 Å²	28	41.4 Å²	41.4	23%	0.231	24%	0.235	C	C	.	.	H	α-helix	trans	-62.7	-39	179.8	0	0	0	0	0	112.6	R111 L112 A113 N118 Q119 L167	R111-A115 PolarHBondContact O-N 2.85Å; L112-A115 PolarHBondContact O-N 3.02Å; A113-A115 PolarHBondContact O-N 3.32Å; A115-N118 PolarHBondContact O-N 2.93Å; A115-Q119 VanDerWaalsContact O-CB 3.25Å; A115-Q119 WeakPolarHBondContact O-CB 3.35Å; A115-Q119 PolarHBondContact O-N 3.37Å; A115-L167 HydrophobicContact CB-CD2 4.3Å
116	V	96.1	Very high	94.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-47.8	176.7	167.4	0	0	0	0	111	L112 A113 I114 N118 Q119 W120 V123 L125 L164 L167	L112-V116 HydrophobicContact CD1-CG2 4.05Å; L112-V116 HydrophobicContact CG-CG2 4.23Å; L112-V116 WeakPolarHBondContact O-CB 3.44Å; L112-V116 VanDerWaalsContact O-CG2 3.28Å; L112-V116 WeakPolarHBondContact O-CG2 3.43Å; L112-V116 PolarHBondContact O-N 2.89Å; A113-V116 PolarHBondContact O-N 3.11Å; I114-V116 VanDerWaalsContact C-N 3.34Å; I114-V116 PolarHBondContact O-N 2.73Å; V116-N118 VanDerWaalsContact C-N 3.3Å; V116-N118 PolarHBondContact O-N 3.4Å; V116-Q119 PolarHBondContact O-N 3.05Å; V116-W120 HydrophobicContact CG1-CE3 4.05Å; V116-W120 HydrophobicContact CG1-CZ3 4.35Å; V116-W120 HydrophobicContact CG2-CZ3 4.38Å; V116-W120 PolarHBondContact O-N 2.77Å; V116-V123 HydrophobicContact CG1-CG1 4.38Å; V116-L125 HydrophobicContact CB-CB 4.48Å; V116-L125 HydrophobicContact CG2-CB 4.39Å; V116-L125 HydrophobicContact CG2-CD1 4.32Å; V116-L164 HydrophobicContact CG2-CD1 3.5Å; V116-L164 VanDerWaalsContact CG2-CD1 3.5Å; V116-L167 HydrophobicContact CG2-CD1 4.35Å
117	M	94.2	Very high	94.5	Very high	61 Å²	61	39.4 Å²	39.4	30%	0.3	23%	0.225	S	C	.	.	H	α-helix	trans	-63.2	-37.7	178.4	-67.6	170.4	70.1	0	0	112.2	D86 A113 I114 W120	D86-M117 HydrophobicContact CB-SD 3.63Å; A113-M117 WeakPolarHBondContact O-CG 3.36Å; A113-M117 PolarHBondContact O-N 2.8Å; A113-M117 VanDerWaalsContact O-N 3.08Å; I114-M117 PolarHBondContact O-N 3.02Å; M117-W120 CarbonylContact O-C 3.54Å
118	N	91.9	Very high	95	Very high	127 Å²	127	36.8 Å²	36.8	68%	0.679	21%	0.212	S	C	*	.	H	α-helix	trans	-69.5	-36.3	175.6	-73.3	-24	0	0	0	112.3	I114 A115 V116	I114-N118 WeakPolarHBondContact O-CB 3.33Å; I114-N118 VanDerWaalsContact O-CG 3.27Å; I114-N118 PolarHBondContact O-N 3.27Å; I114-N118 PolarHBondContact O-ND2 3.14Å; A115-N118 PolarHBondContact O-N 2.93Å; V116-N118 VanDerWaalsContact C-N 3.3Å; V116-N118 PolarHBondContact O-N 3.4Å
119	Q	94.8	Very high	95.3	Very high	77 Å²	77	37.8 Å²	37.8	36%	0.36	22%	0.217	S	C	.	.	H	α-helix	trans	-74.4	-37.2	179.6	-178.2	58.9	78.4	0	0	112.2	A115 V116 I163 L167	A115-Q119 VanDerWaalsContact O-CB 3.25Å; A115-Q119 WeakPolarHBondContact O-CB 3.35Å; A115-Q119 PolarHBondContact O-N 3.37Å; V116-Q119 PolarHBondContact O-N 3.05Å; Q119-I163 HydrophobicContact CG-CG2 4.13Å; Q119-L167 HydrophobicContact CB-CD1 3.82Å; Q119-L167 HydrophobicContact CG-CD1 3.97Å
120	W	97.1	Very high	95.2	Very high	40 Å²	40	37.8 Å²	37.8	15%	0.152	22%	0.217	C	C	.	.	S	Bend	trans	-135.5	97	-178.5	-59.2	-64.9	0	0	0	110.6	V116 M117 G122 V123 T153 K160 I163 L164 L167	V116-W120 HydrophobicContact CG1-CE3 4.05Å; V116-W120 HydrophobicContact CG1-CZ3 4.35Å; V116-W120 HydrophobicContact CG2-CZ3 4.38Å; V116-W120 PolarHBondContact O-N 2.77Å; M117-W120 CarbonylContact O-C 3.54Å; W120-G122 PolarHBondContact O-N 2.84Å; W120-V123 HydrophobicContact CB-CB 3.72Å; W120-V123 HydrophobicContact CB-CG1 4.37Å; W120-V123 HydrophobicContact CB-CG2 3.74Å; W120-V123 WeakPolarHBondContact O-CB 3.49Å; W120-V123 PolarHBondContact O-N 3.26Å; W120-T153 HydrophobicContact CE3-CG2 4.29Å; W120-T153 HydrophobicContact CZ3-CG2 4.09Å; W120-K160 HydrophobicContact CD2-CD 3.97Å; W120-K160 HydrophobicContact CD2-CG 4.45Å; W120-K160 HydrophobicContact CE3-CD 4.5Å; W120-K160 HydrophobicContact CG-CD 4.21Å; W120-K160 HydrophobicContact CH2-CB 3.87Å; W120-K160 HydrophobicContact CH2-CG 4.48Å; W120-K160 HydrophobicContact CZ2-CB 3.67Å; W120-K160 HydrophobicContact CZ2-CD 4.28Å; W120-K160 HydrophobicContact CZ2-CG 3.86Å; W120-I163 HydrophobicContact CH2-CB 3.91Å; W120-I163 HydrophobicContact CH2-CG2 3.67Å; W120-I163 HydrophobicContact CZ2-CB 3.76Å; W120-I163 HydrophobicContact CZ2-CG2 3.58Å; W120-L164 HydrophobicContact CH2-CB 4.26Å; W120-L167 HydrophobicContact CH2-CD1 4.15Å; W120-L167 HydrophobicContact CZ3-CD1 3.94Å
121	P	95.4	Very high	95.5	Very high	119 Å²	119	36.2 Å²	36.2	77%	0.773	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	125.6	178.6	-26.7	35.1	0	0	0	112.1
122	G	93.8	Very high	95.8	Very high	67 Å²	67	35.6 Å²	35.6	69%	0.691	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.4	1	-179.8	0	0	0	0	0	115.5	W120	W120-G122 PolarHBondContact O-N 2.84Å
123	V	97.9	Very high	95.5	Very high	13 Å²	13	38.1 Å²	38.1	8%	0.079	22%	0.218	C	C	.	.			trans	-105.3	136.4	174.2	178.9	0	0	0	0	108.8	V116 W120 T153 D154 D155	V116-V123 HydrophobicContact CG1-CG1 4.38Å; W120-V123 HydrophobicContact CB-CB 3.72Å; W120-V123 HydrophobicContact CB-CG1 4.37Å; W120-V123 HydrophobicContact CB-CG2 3.74Å; W120-V123 WeakPolarHBondContact O-CB 3.49Å; W120-V123 PolarHBondContact O-N 3.26Å; V123-T153 HydrophobicContact CG1-CG2 3.83Å; V123-D154 WeakPolarHBondContact CA-OD1 3.37Å; V123-D154 VanDerWaalsContact CG1-OD1 3.29Å; V123-D154 WeakPolarHBondContact CG1-OD1 3.17Å; V123-D155 VanDerWaalsContact CG2-OD2 3.31Å; V123-D155 WeakPolarHBondContact CG2-OD2 3.38Å
124	H	98.1	Very high	95.3	Very high	57 Å²	57	42.7 Å²	42.7	26%	0.264	24%	0.242	S	C	.	.			trans	-112.4	156.8	179.2	-55.9	86.7	0	0	0	111.3	V88 D154	V88-H124 HydrophobicContact CG2-CB 4.27Å; H124-D154 HydrophobicContact CB-CB 4.34Å; H124-D154 IonicContact CG-OD2 2.64Å; H124-D154 PolarHBondContact N-OD1 2.81Å; H124-D154 PolarHBondContact N-OD2 3.07Å; H124-D154 IonicContact ND1-OD2 3.63Å; H124-D154 PolarHBondContact ND1-OD2 3.02Å; H124-D154 PolarHBondContact O-N 2.74Å
125	L	98.6	Very high	95.2	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	136.9	170	179.2	64.6	0	0	0	109	I87 V88 L109 L112 A113 V116 I151 L164	I87-L125 WeakPolarHBondContact CA-O 3.34Å; I87-L125 HydrophobicContact CD1-CD2 4.42Å; I87-L125 HydrophobicContact CG1-CD2 4.39Å; V88-L125 PolarHBondContact N-O 2.95Å; L109-L125 HydrophobicContact CD1-CD2 3.63Å; L109-L125 HydrophobicContact CG-CD2 3.95Å; L112-L125 HydrophobicContact CB-CD2 4.1Å; L112-L125 HydrophobicContact CD2-CD1 3.96Å; L112-L125 HydrophobicContact CD2-CD2 4.08Å; L112-L125 HydrophobicContact CG-CD1 4.16Å; L112-L125 HydrophobicContact CG-CD2 3.95Å; A113-L125 HydrophobicContact CB-CB 4.24Å; A113-L125 HydrophobicContact CB-CD2 4.18Å; V116-L125 HydrophobicContact CB-CB 4.48Å; V116-L125 HydrophobicContact CG2-CB 4.39Å; V116-L125 HydrophobicContact CG2-CD1 4.32Å; L125-I151 HydrophobicContact CD1-CB 4.05Å; L125-I151 HydrophobicContact CD1-CD1 4.09Å; L125-I151 HydrophobicContact CD1-CG2 4.34Å; L125-L164 HydrophobicContact CD1-CD1 4.04Å
126	R	98.6	Very high	95.1	Very high	18 Å²	18	44.8 Å²	44.8	7%	0.068	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.9	178	177.3	176	173.7	-82.3	-9.6	111.7	V88 K90 I151 T152 D154	V88-R126 HydrophobicContact CB-CB 4.14Å; V88-R126 HydrophobicContact CB-CG 4.13Å; V88-R126 HydrophobicContact CG1-CG 4.17Å; V88-R126 CarbonylContact O-C 3.46Å; V88-R126 WeakPolarHBondContact O-CA 3.47Å; K90-R126 VanDerWaalsContact CG-NH2 3.32Å; R126-I151 CarbonylContact O-C 3.59Å; R126-I151 WeakPolarHBondContact O-CA 3.17Å; R126-T152 WeakPolarHBondContact CB-OG1 3.31Å; R126-T152 WeakPolarHBondContact CG-OG1 3.46Å; R126-T152 PolarHBondContact N-O 2.85Å; R126-T152 PolarHBondContact NH1-OG1 3.05Å; R126-T152 PolarHBondContact O-N 3.48Å; R126-T152 PolarHBondContact O-OG1 2.9Å; R126-T152 VanDerWaalsContact O-OG1 3.14Å; R126-D154 HydrophobicContact CB-CB 4.29Å
127	V	98.6	Very high	95	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	130.1	173.2	179.4	0	0	0	0	109.2	I87 V88 F89 K90 L109 E129 A130 I151	I87-V127 HydrophobicContact CG2-CG2 3.82Å; V88-V127 PolarHBondContact O-N 3.19Å; F89-V127 HydrophobicContact CD1-CB 3.75Å; F89-V127 HydrophobicContact CD1-CG1 4.09Å; F89-V127 HydrophobicContact CD1-CG2 4.11Å; F89-V127 HydrophobicContact CE1-CB 3.96Å; F89-V127 HydrophobicContact CE1-CG1 4.26Å; F89-V127 HydrophobicContact CE1-CG2 3.81Å; F89-V127 HydrophobicContact CZ-CG2 4.45Å; K90-V127 WeakPolarHBondContact CB-O 3.39Å; K90-V127 PolarHBondContact N-O 3.28Å; L109-V127 HydrophobicContact CD1-CG2 4.06Å; L109-V127 HydrophobicContact CD2-CG2 3.83Å; L109-V127 HydrophobicContact CG-CG2 4.49Å; V127-E129 WeakPolarHBondContact CG1-O 3.37Å; V127-A130 HydrophobicContact CG1-CB 4.19Å; V127-I151 HydrophobicContact CG2-CG2 4.22Å
128	T	97.3	Very high	94.9	Very high	20 Å²	20	48.4 Å²	48.4	12%	0.123	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-28.2	175.7	45.1	0	0	0	0	114.3	K90 D150 T152	K90-T128 HydrophobicContact CD-CG2 4.28Å; T128-D150 PolarHBondContact N-O 3.49Å; T128-D150 WeakPolarHBondContact OG1-CB 3.35Å; T128-D150 PolarHBondContact OG1-O 3.02Å; T128-T152 HydrophobicContact CG2-CG2 4.09Å
129	E	97.6	Very high	94.8	Very high	22 Å²	22	52 Å²	52	10%	0.103	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	139.2	-177.4	-170	68.8	-142.2	0	0	107.6	D98 V127 H137 V149 D150	D98-E129 WeakPolarHBondContact OD1-CA 3.39Å; V127-E129 WeakPolarHBondContact CG1-O 3.37Å; E129-H137 VanDerWaalsContact CG-NE2 3.33Å; E129-H137 WeakPolarHBondContact CG-NE2 3.11Å; E129-H137 IonicContact OE1-NE2 2.86Å; E129-V149 CarbonylContact O-C 3.48Å; E129-V149 VanDerWaalsContact O-CA 3.29Å; E129-V149 WeakPolarHBondContact O-CA 3.49Å; E129-D150 HydrophobicContact CB-CB 3.97Å; E129-D150 PolarHBondContact O-N 3.49Å
130	A	96.1	Very high	94.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.289	C	S	.	.			trans	-136.4	-97.8	171.5	0	0	0	0	0	112.5	D98 V127 D132 H143 A148 V149	D98-A130 WeakPolarHBondContact O-CB 3.47Å; D98-A130 PolarHBondContact OD1-N 3.19Å; D98-A130 VanDerWaalsContact OD1-N 3.1Å; V127-A130 HydrophobicContact CG1-CB 4.19Å; A130-D132 PolarHBondContact O-N 3.19Å; A130-H143 WeakPolarHBondContact O-CA 3.42Å; A130-H143 WeakPolarHBondContact O-CB 3.44Å; A130-H143 PolarHBondContact O-ND1 2.99Å; A130-A148 CarbonylContact C-O 3.58Å; A130-A148 WeakPolarHBondContact CA-O 3.09Å; A130-V149 HydrophobicContact CB-CG1 3.82Å
131	W	97.5	Very high	94.3	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.008	29%	0.285	C	S	.	.	S	Bend	trans	-82.3	110.2	175.7	174	61	0	0	0	110.2	I69 R71 F76 L79 A97 V100 E133 H143	I69-W131 WeakPolarHBondContact O-CZ2 3.46Å; I69-W131 PolarHBondContact O-NE1 2.98Å; R71-W131 HydrophobicContact CB-CH2 3.98Å; R71-W131 HydrophobicContact CG-CH2 4.05Å; F76-W131 AromaticContact CD2-CH2 3.92Å; F76-W131 HydrophobicContact CD2-CH2 3.92Å; F76-W131 AromaticContact CD2-CZ2 3.77Å; F76-W131 HydrophobicContact CD2-CZ2 3.77Å; F76-W131 HydrophobicContact CD2-CZ3 4.47Å; F76-W131 HydrophobicContact CE2-CD2 4.22Å; F76-W131 AromaticContact CE2-CE3 3.94Å; F76-W131 HydrophobicContact CE2-CE3 3.94Å; F76-W131 AromaticContact CE2-CH2 3.37Å; F76-W131 HydrophobicContact CE2-CH2 3.37Å; F76-W131 AromaticContact CE2-CZ2 3.64Å; F76-W131 HydrophobicContact CE2-CZ2 3.64Å; F76-W131 AromaticContact CE2-CZ3 3.53Å; F76-W131 HydrophobicContact CE2-CZ3 3.53Å; F76-W131 HydrophobicContact CZ-CH2 4.25Å; F76-W131 HydrophobicContact CZ-CZ3 4.2Å; L79-W131 HydrophobicContact CD1-CG 4.41Å; A97-W131 HydrophobicContact CB-CE3 3.92Å; A97-W131 HydrophobicContact CB-CZ3 4.25Å; A97-W131 WeakPolarHBondContact CB-O 3.44Å; V100-W131 HydrophobicContact CB-CB 4.09Å; V100-W131 HydrophobicContact CB-CD2 4.32Å; V100-W131 HydrophobicContact CB-CE3 3.89Å; V100-W131 HydrophobicContact CB-CG 4.44Å; V100-W131 HydrophobicContact CG1-CB 4.4Å; V100-W131 HydrophobicContact CG1-CD2 4.21Å; V100-W131 HydrophobicContact CG1-CE3 4.08Å; V100-W131 HydrophobicContact CG1-CG 4.37Å; V100-W131 HydrophobicContact CG2-CE3 4.14Å; V100-W131 WeakPolarHBondContact O-CB 3.28Å; W131-E133 HydrophobicContact CH2-CB 4.04Å; W131-E133 WeakPolarHBondContact CH2-OE2 3.48Å; W131-E133 HydrophobicContact CZ2-CB 4.24Å; W131-E133 HydrophobicContact CZ3-CB 4.4Å; W131-H143 WeakPolarHBondContact CA-O 3.48Å
132	D	94.8	Very high	94.4	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.011	25%	0.248	C	C	.	.			trans	-91	120.6	-178.9	175.6	13.8	0	0	0	111.1	A130 D134 G135 H136 H137 H143 Y144	A130-D132 PolarHBondContact O-N 3.19Å; D132-D134 WeakPolarHBondContact OD1-CA 3.4Å; D132-D134 PolarHBondContact OD1-N 3.42Å; D132-G135 PolarHBondContact OD1-N 2.88Å; D132-G135 PolarHBondContact OD2-N 3.16Å; D132-H136 IonicContact OD1-ND1 3.97Å; D132-H136 PolarHBondContact OD2-N 2.88Å; D132-H137 IonicContact OD2-CD2 3.9Å; D132-H137 PolarHBondContact OD2-CD2 3.14Å; D132-H137 IonicContact OD2-CG 3.03Å; D132-H137 PolarHBondContact OD2-N 2.88Å; D132-H143 HydrophobicContact CB-CB 4.11Å; D132-H143 PolarHBondContact N-O 3.12Å; D132-Y144 HydrophobicContact CB-CD1 4.23Å; D132-Y144 HydrophobicContact CB-CE1 4.18Å; D132-Y144 WeakPolarHBondContact O-CD1 3.45Å; D132-Y144 WeakPolarHBondContact OD2-CE1 3.43Å
133	E	90.9	Very high	94.6	Very high	52 Å²	52	39.4 Å²	39.4	24%	0.243	22%	0.216	C	C	.	.	S	Bend	trans	-96	-22.7	172.7	60.6	-172.4	167.7	0	0	113.6	K68 T95 W131	K68-E133 PolarHBondContact NZ-O 3.01Å; T95-E133 WeakPolarHBondContact CB-OE1 3.3Å; T95-E133 PolarHBondContact OG1-OE1 3.43Å; W131-E133 HydrophobicContact CH2-CB 4.04Å; W131-E133 WeakPolarHBondContact CH2-OE2 3.48Å; W131-E133 HydrophobicContact CZ2-CB 4.24Å; W131-E133 HydrophobicContact CZ3-CB 4.4Å
134	D	89.2	Confident	94.6	Very high	97 Å²	97	40 Å²	40	52%	0.519	22%	0.217	S	C	.	.	S	Bend	trans	-87.2	-22	-168.1	-69.6	-32.4	0	0	0	114	D132 H136	D132-D134 WeakPolarHBondContact OD1-CA 3.4Å; D132-D134 PolarHBondContact OD1-N 3.42Å; D134-H136 WeakPolarHBondContact CB-CE1 3.49Å; D134-H136 IonicContact OD2-CE1 3.53Å
135	G	88.8	Confident	94.5	Very high	37 Å²	37	37.4 Å²	37.4	38%	0.381	21%	0.205	S	C	.	.			trans	94.5	30.7	174.7	0	0	0	0	0	114.6	D132 H137 Y144	D132-G135 PolarHBondContact OD1-N 2.88Å; D132-G135 PolarHBondContact OD2-N 3.16Å; G135-H137 VanDerWaalsContact C-N 3.27Å; G135-H137 PolarHBondContact O-N 2.61Å; G135-Y144 WeakPolarHBondContact CA-OH 3.39Å; G135-Y144 PolarHBondContact O-OH 3.26Å
136	H	90	Very high	94.4	Very high	129 Å²	129	37.4 Å²	37.4	60%	0.597	21%	0.205	S	C	*	.			trans	-74.9	-16	-179.1	-63.7	123.6	0	0	0	113.3	D132 D134	D132-H136 IonicContact OD1-ND1 3.97Å; D132-H136 PolarHBondContact OD2-N 2.88Å; D134-H136 WeakPolarHBondContact CB-CE1 3.49Å; D134-H136 IonicContact OD2-CE1 3.53Å
137	H	92.8	Very high	94.3	Very high	38 Å²	38	36.8 Å²	36.8	18%	0.176	20%	0.202	C	C	.	.	S	Bend	trans	-99.2	158.7	-177.8	-63.7	-75.1	0	0	0	114.5	E129 D132 G135 S141 H143 Y144	E129-H137 VanDerWaalsContact CG-NE2 3.33Å; E129-H137 WeakPolarHBondContact CG-NE2 3.11Å; E129-H137 IonicContact OE1-NE2 2.86Å; D132-H137 IonicContact OD2-CD2 3.9Å; D132-H137 PolarHBondContact OD2-CD2 3.14Å; D132-H137 IonicContact OD2-CG 3.03Å; D132-H137 PolarHBondContact OD2-N 2.88Å; G135-H137 VanDerWaalsContact C-N 3.27Å; G135-H137 PolarHBondContact O-N 2.61Å; H137-S141 VanDerWaalsContact CB-CB 3.46Å; H137-S141 WeakPolarHBondContact CB-OG 3.29Å; H137-H143 VanDerWaalsContact CD2-CB 3.42Å; H137-H143 WeakPolarHBondContact CD2-CB 3.29Å; H137-H143 AromaticContact CD2-CD2 3.92Å; H137-H143 AromaticContact CD2-CG 3.6Å; H137-H143 AromaticContact CE1-CD2 3.47Å; H137-H143 PolarHBondContact CE1-CD2 2.89Å; H137-H143 VanDerWaalsContact CE1-CD2 3.47Å; H137-H143 AromaticContact CE1-CE1 3.85Å; H137-H143 AromaticContact CE1-CG 3.69Å; H137-H143 AromaticContact CE1-ND1 3.93Å; H137-H143 AromaticContact CE1-NE2 3.62Å; H137-H143 AromaticContact CG-CD2 3.99Å; H137-H143 AromaticContact ND1-CD2 3.72Å; H137-H143 AromaticContact NE2-CD2 3.58Å; H137-H143 AromaticContact NE2-CE1 3.87Å; H137-H143 AromaticContact NE2-CG 3.29Å; H137-H143 VanDerWaalsContact NE2-CG 3.29Å; H137-H143 AromaticContact NE2-ND1 3.51Å; H137-H143 AromaticContact NE2-NE2 3.96Å; H137-Y144 HydrophobicContact CB-CE2 4.24Å; H137-Y144 PolarHBondContact N-OH 3.15Å; H137-Y144 PolarHBondContact O-OH 2.99Å
138	P	92	Very high	94.3	Very high	99 Å²	99	36.8 Å²	36.8	64%	0.643	20%	0.202	S	C	*	.	P	Polyproline II helix	trans	-61.2	159	174.7	25.9	-35.9	0	0	0	112.8	G140 S141 Y144	P138-G140 PolarHBondContact O-N 3.21Å; P138-S141 VanDerWaalsContact O-CB 3.26Å; P138-S141 WeakPolarHBondContact O-CB 3.32Å; P138-S141 PolarHBondContact O-N 2.98Å; P138-S141 VanDerWaalsContact O-N 3.1Å; P138-Y144 WeakPolarHBondContact O-CE2 3.33Å
139	Q	90.2	Very high	94.3	Very high	202 Å²	202	35.8 Å²	35.8	94%	0.944	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	131.2	176.8	-170.3	178	11.8	0	0	111
140	G	86.7	Confident	94.4	Very high	28 Å²	28	35.2 Å²	35.2	29%	0.289	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	13.3	-177.3	0	0	0	0	0	114.7	N57 P138	N57-G140 PolarHBondContact ND2-O 2.87Å; P138-G140 PolarHBondContact O-N 3.21Å
141	S	95.9	Very high	94.5	Very high	11 Å²	11	35.2 Å²	35.2	8%	0.077	19%	0.194	C	C	.	.			trans	-63.7	140.1	169.2	176.3	0	0	0	0	112	H137 P138 H143 Y144	H137-S141 VanDerWaalsContact CB-CB 3.46Å; H137-S141 WeakPolarHBondContact CB-OG 3.29Å; P138-S141 VanDerWaalsContact O-CB 3.26Å; P138-S141 WeakPolarHBondContact O-CB 3.32Å; P138-S141 PolarHBondContact O-N 2.98Å; P138-S141 VanDerWaalsContact O-N 3.1Å; S141-H143 VanDerWaalsContact C-N 3.28Å; S141-H143 PolarHBondContact O-N 3.29Å; S141-H143 WeakPolarHBondContact OG-CB 3.46Å; S141-H143 PolarHBondContact OG-CD2 3.27Å; S141-H143 PolarHBondContact OG-N 2.82Å; S141-Y144 WeakPolarHBondContact O-CD2 3.24Å; S141-Y144 PolarHBondContact O-N 3.4Å
142	L	97.3	Very high	94.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-77.8	-11.1	176.6	-64.1	-170.6	0	0	0	113.5	E56 A65 Y144 E145 G146 R147 A148	E56-L142 HydrophobicContact CG-CD1 3.98Å; E56-L142 WeakPolarHBondContact OE1-CD1 3.42Å; A65-L142 HydrophobicContact CB-CD2 4.08Å; L142-Y144 PolarHBondContact O-N 2.9Å; L142-E145 PolarHBondContact O-N 3.46Å; L142-E145 VanDerWaalsContact O-N 3.11Å; L142-G146 PolarHBondContact O-N 2.79Å; L142-R147 HydrophobicContact CB-CB 4.07Å; L142-R147 PolarHBondContact O-N 2.82Å; L142-A148 HydrophobicContact CB-CB 3.92Å; L142-A148 PolarHBondContact O-N 2.84Å
143	H	97.9	Very high	94.7	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-59	-38.1	169.1	-75.3	-88.9	0	0	0	111.1	A130 W131 D132 H137 S141 E145 G146 D150 H185	A130-H143 WeakPolarHBondContact O-CA 3.42Å; A130-H143 WeakPolarHBondContact O-CB 3.44Å; A130-H143 PolarHBondContact O-ND1 2.99Å; W131-H143 WeakPolarHBondContact CA-O 3.48Å; D132-H143 HydrophobicContact CB-CB 4.11Å; D132-H143 PolarHBondContact N-O 3.12Å; H137-H143 VanDerWaalsContact CD2-CB 3.42Å; H137-H143 WeakPolarHBondContact CD2-CB 3.29Å; H137-H143 AromaticContact CD2-CD2 3.92Å; H137-H143 AromaticContact CD2-CG 3.6Å; H137-H143 AromaticContact CE1-CD2 3.47Å; H137-H143 PolarHBondContact CE1-CD2 2.89Å; H137-H143 VanDerWaalsContact CE1-CD2 3.47Å; H137-H143 AromaticContact CE1-CE1 3.85Å; H137-H143 AromaticContact CE1-CG 3.69Å; H137-H143 AromaticContact CE1-ND1 3.93Å; H137-H143 AromaticContact CE1-NE2 3.62Å; H137-H143 AromaticContact CG-CD2 3.99Å; H137-H143 AromaticContact ND1-CD2 3.72Å; H137-H143 AromaticContact NE2-CD2 3.58Å; H137-H143 AromaticContact NE2-CE1 3.87Å; H137-H143 AromaticContact NE2-CG 3.29Å; H137-H143 VanDerWaalsContact NE2-CG 3.29Å; H137-H143 AromaticContact NE2-ND1 3.51Å; H137-H143 AromaticContact NE2-NE2 3.96Å; S141-H143 VanDerWaalsContact C-N 3.28Å; S141-H143 PolarHBondContact O-N 3.29Å; S141-H143 WeakPolarHBondContact OG-CB 3.46Å; S141-H143 PolarHBondContact OG-CD2 3.27Å; S141-H143 PolarHBondContact OG-N 2.82Å; H143-E145 PolarHBondContact O-N 3.25Å; H143-G146 PolarHBondContact O-N 3.3Å; H143-D150 IonicContact CE1-OD1 2.79Å; H143-D150 IonicContact CE1-OD2 3.94Å; H143-D150 IonicContact NE2-OD1 3.85Å; H143-D150 IonicContact NE2-OD2 3.7Å; H143-H185 AromaticContact CD2-CE1 3.63Å; H143-H185 AromaticContact NE2-CE1 3.15Å; H143-H185 PolarHBondContact NE2-CE1 3.27Å; H143-H185 AromaticContact NE2-ND1 3.21Å; H143-H185 PolarHBondContact NE2-ND1 2.93Å
144	Y	97	Very high	95.1	Very high	26 Å²	26	35 Å²	35	10%	0.102	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-63.1	-11.6	177	-63.3	-42.6	0	0	0	115	K68 I69 D132 G135 H137 P138 S141 L142	K68-Y144 HydrophobicContact CB-CG 4.42Å; K68-Y144 HydrophobicContact CD-CD1 3.94Å; K68-Y144 HydrophobicContact CD-CE1 4.42Å; K68-Y144 HydrophobicContact CD-CG 4.14Å; K68-Y144 HydrophobicContact CG-CD1 4.35Å; K68-Y144 HydrophobicContact CG-CG 4.23Å; I69-Y144 PolarHBondContact N-O 2.79Å; D132-Y144 HydrophobicContact CB-CD1 4.23Å; D132-Y144 HydrophobicContact CB-CE1 4.18Å; D132-Y144 WeakPolarHBondContact O-CD1 3.45Å; D132-Y144 WeakPolarHBondContact OD2-CE1 3.43Å; G135-Y144 WeakPolarHBondContact CA-OH 3.39Å; G135-Y144 PolarHBondContact O-OH 3.26Å; H137-Y144 HydrophobicContact CB-CE2 4.24Å; H137-Y144 PolarHBondContact N-OH 3.15Å; H137-Y144 PolarHBondContact O-OH 2.99Å; P138-Y144 WeakPolarHBondContact O-CE2 3.33Å; S141-Y144 WeakPolarHBondContact O-CD2 3.24Å; S141-Y144 PolarHBondContact O-N 3.4Å; L142-Y144 PolarHBondContact O-N 2.9Å
145	E	95.9	Very high	95.5	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-113.2	4.1	-179.5	-70.9	174	-148	0	0	112.6	A65 E66 G67 I69 R75 L79 L142 H143 R147	A65-E145 VanDerWaalsContact C-OE1 3.25Å; A65-E145 WeakPolarHBondContact CA-OE1 3.3Å; A65-E145 VanDerWaalsContact CB-OE1 3.3Å; A65-E145 WeakPolarHBondContact CB-OE1 3.09Å; E66-E145 VanDerWaalsContact N-CD 3.32Å; E66-E145 PolarHBondContact N-OE1 3Å; E66-E145 PolarHBondContact N-OE2 2.93Å; G67-E145 PolarHBondContact N-OE1 3.3Å; G67-E145 WeakPolarHBondContact O-CG 3.42Å; I69-E145 HydrophobicContact CD1-CB 4.32Å; I69-E145 HydrophobicContact CG1-CG 4.38Å; R75-E145 IonicContact NH2-OE2 3.17Å; L79-E145 WeakPolarHBondContact CD2-O 3.36Å; L142-E145 PolarHBondContact O-N 3.46Å; L142-E145 VanDerWaalsContact O-N 3.11Å; H143-E145 PolarHBondContact O-N 3.25Å; E145-R147 HydrophobicContact CB-CB 4.31Å; E145-R147 HydrophobicContact CB-CG 4.02Å; E145-R147 PolarHBondContact O-N 2.81Å; E145-R147 WeakPolarHBondContact OE2-CD 3.46Å; E145-R147 IonicContact OE2-CZ 3.89Å; E145-R147 IonicContact OE2-NH1 3.34Å; E145-R147 PolarHBondContact OE2-NH1 2.76Å
146	G	96.6	Very high	95.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	25.2	-172.7	0	0	0	0	0	112.4	M101 T102 L142 H143	M101-G146 CarbonylContact C-O 3.43Å; M101-G146 VanDerWaalsContact CA-O 3.25Å; M101-G146 WeakPolarHBondContact CA-O 3.17Å; M101-G146 WeakPolarHBondContact CB-O 3.09Å; T102-G146 PolarHBondContact N-O 3.49Å; L142-G146 PolarHBondContact O-N 2.79Å; H143-G146 PolarHBondContact O-N 3.3Å
147	R	97.4	Very high	96.2	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.015	19%	0.188	C	C	.	.			trans	-105	-3.4	-177.2	-75.3	172.4	56.3	-160.1	-6.2	112.9	S62 G63 R64 T102 L142 E145 S187 V188	S62-R147 PolarHBondContact O-NH2 3.44Å; G63-R147 PolarHBondContact O-NH2 3.43Å; R64-R147 PolarHBondContact O-NH1 2.92Å; T102-R147 HydrophobicContact CG2-CG 3.49Å; T102-R147 VanDerWaalsContact CG2-CG 3.49Å; L142-R147 HydrophobicContact CB-CB 4.07Å; L142-R147 PolarHBondContact O-N 2.82Å; E145-R147 HydrophobicContact CB-CB 4.31Å; E145-R147 HydrophobicContact CB-CG 4.02Å; E145-R147 PolarHBondContact O-N 2.81Å; E145-R147 WeakPolarHBondContact OE2-CD 3.46Å; E145-R147 IonicContact OE2-CZ 3.89Å; E145-R147 IonicContact OE2-NH1 3.34Å; E145-R147 PolarHBondContact OE2-NH1 2.76Å; R147-S187 CarbonylContact O-C 3.45Å; R147-S187 WeakPolarHBondContact O-CA 3.27Å; R147-S187 WeakPolarHBondContact O-CB 3.26Å; R147-V188 HydrophobicContact CB-CG2 4.25Å; R147-V188 HydrophobicContact CG-CG2 4.44Å; R147-V188 PolarHBondContact NE-O 3.24Å; R147-V188 PolarHBondContact NH2-O 3.19Å; R147-V188 VanDerWaalsContact NH2-O 3.12Å; R147-V188 WeakPolarHBondContact O-CG2 3.46Å; R147-V188 PolarHBondContact O-N 2.96Å
148	A	98.3	Very high	96.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	156.5	178	0	0	0	0	0	111.3	A130 L142 C186	A130-A148 CarbonylContact C-O 3.58Å; A130-A148 WeakPolarHBondContact CA-O 3.09Å; L142-A148 HydrophobicContact CB-CB 3.92Å; L142-A148 PolarHBondContact O-N 2.84Å; A148-C186 CarbonylContact C-O 3.57Å; A148-C186 VanDerWaalsContact CA-O 3.25Å; A148-C186 WeakPolarHBondContact CA-O 3.39Å
149	V	98.6	Very high	96.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	140.2	177.5	-68.6	0	0	0	0	109.3	L109 E129 A130 I151 F173 C186	L109-V149 HydrophobicContact CD1-CG2 4.11Å; E129-V149 CarbonylContact O-C 3.48Å; E129-V149 VanDerWaalsContact O-CA 3.29Å; E129-V149 WeakPolarHBondContact O-CA 3.49Å; A130-V149 HydrophobicContact CB-CG1 3.82Å; V149-I151 HydrophobicContact CB-CG2 4.08Å; V149-I151 HydrophobicContact CG2-CG2 3.83Å; V149-F173 HydrophobicContact CG2-CE1 3.8Å; V149-F173 HydrophobicContact CG2-CZ 4.04Å; V149-C186 HydrophobicContact CG2-CB 3.95Å; V149-C186 PolarHBondContact N-O 3.13Å; V149-C186 PolarHBondContact O-N 3.11Å
150	D	98.5	Very high	96.9	Very high	10 Å²	10	35.4 Å²	35.4	5%	0.053	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	127.1	165	-69.6	-22.9	0	0	0	108.6	T128 E129 H143 H183 I184 H185	T128-D150 PolarHBondContact N-O 3.49Å; T128-D150 WeakPolarHBondContact OG1-CB 3.35Å; T128-D150 PolarHBondContact OG1-O 3.02Å; E129-D150 HydrophobicContact CB-CB 3.97Å; E129-D150 PolarHBondContact O-N 3.49Å; H143-D150 IonicContact CE1-OD1 2.79Å; H143-D150 IonicContact CE1-OD2 3.94Å; H143-D150 IonicContact NE2-OD1 3.85Å; H143-D150 IonicContact NE2-OD2 3.7Å; D150-H183 HydrophobicContact CB-CB 4.21Å; D150-H183 VanDerWaalsContact CB-CD2 3.48Å; D150-H183 WeakPolarHBondContact CB-CD2 3.48Å; D150-H183 IonicContact OD1-CD2 3.21Å; D150-H183 PolarHBondContact OD1-CD2 3.18Å; D150-H183 IonicContact OD1-NE2 2.82Å; D150-H183 IonicContact OD2-CD2 2.89Å; D150-H183 IonicContact OD2-CE1 2.88Å; D150-H183 IonicContact OD2-NE2 3.69Å; D150-H183 PolarHBondContact OD2-NE2 3.36Å; D150-I184 CarbonylContact C-O 3.49Å; D150-I184 WeakPolarHBondContact CA-O 3.3Å; D150-H185 WeakPolarHBondContact OD1-CA 3.42Å; D150-H185 WeakPolarHBondContact OD1-CB 3.36Å; D150-H185 IonicContact OD1-CG 2.57Å; D150-H185 IonicContact OD1-ND1 3.61Å; D150-H185 PolarHBondContact OD1-ND1 2.78Å
151	I	98.6	Very high	97.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	153.5	-169.1	63.9	168.5	0	0	0	113.1	L109 L112 L125 R126 V127 V149 L164 A168 H183 I184	L109-I151 HydrophobicContact CD1-CG2 4.13Å; L112-I151 HydrophobicContact CD2-CD1 3.35Å; L125-I151 HydrophobicContact CD1-CB 4.05Å; L125-I151 HydrophobicContact CD1-CD1 4.09Å; L125-I151 HydrophobicContact CD1-CG2 4.34Å; R126-I151 CarbonylContact O-C 3.59Å; R126-I151 WeakPolarHBondContact O-CA 3.17Å; V127-I151 HydrophobicContact CG2-CG2 4.22Å; V149-I151 HydrophobicContact CB-CG2 4.08Å; V149-I151 HydrophobicContact CG2-CG2 3.83Å; I151-L164 HydrophobicContact CD1-CD1 4.27Å; I151-L164 HydrophobicContact CD1-CD2 4.29Å; I151-L164 HydrophobicContact CD1-CG 4.12Å; I151-L164 HydrophobicContact CG1-CD2 4.27Å; I151-A168 HydrophobicContact CD1-CB 4.34Å; I151-H183 WeakPolarHBondContact O-CA 3.43Å; I151-I184 HydrophobicContact CD1-CB 4.47Å; I151-I184 HydrophobicContact CG1-CB 3.89Å; I151-I184 HydrophobicContact CG1-CG2 4.49Å; I151-I184 WeakPolarHBondContact CG1-O 3.22Å; I151-I184 PolarHBondContact N-O 3.34Å; I151-I184 PolarHBondContact O-N 2.82Å
152	T	98.6	Very high	97.5	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	173	179.5	55.1	0	0	0	0	109.4	R126 T128 Y161 Y182 H183	R126-T152 WeakPolarHBondContact CB-OG1 3.31Å; R126-T152 WeakPolarHBondContact CG-OG1 3.46Å; R126-T152 PolarHBondContact N-O 2.85Å; R126-T152 PolarHBondContact NH1-OG1 3.05Å; R126-T152 PolarHBondContact O-N 3.48Å; R126-T152 PolarHBondContact O-OG1 2.9Å; R126-T152 VanDerWaalsContact O-OG1 3.14Å; T128-T152 HydrophobicContact CG2-CG2 4.09Å; T152-Y161 WeakPolarHBondContact CB-OH 3.1Å; T152-Y161 HydrophobicContact CG2-CE2 4.23Å; T152-Y161 VanDerWaalsContact CG2-OH 3.25Å; T152-Y161 WeakPolarHBondContact CG2-OH 3.15Å; T152-Y182 WeakPolarHBondContact CG2-O 3.32Å; T152-H183 HydrophobicContact CG2-CB 4.09Å
153	T	98.3	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	149.4	158.8	51.3	0	0	0	0	109.4	W120 V123 D155 R156 K160 L164	W120-T153 HydrophobicContact CE3-CG2 4.29Å; W120-T153 HydrophobicContact CZ3-CG2 4.09Å; V123-T153 HydrophobicContact CG1-CG2 3.83Å; T153-D155 VanDerWaalsContact C-N 3.26Å; T153-D155 WeakPolarHBondContact CB-OD1 3.5Å; T153-D155 PolarHBondContact O-N 3.09Å; T153-D155 PolarHBondContact OG1-OD1 2.76Å; T153-R156 WeakPolarHBondContact O-CA 3.42Å; T153-R156 PolarHBondContact O-N 2.88Å; T153-K160 HydrophobicContact CG2-CB 4.19Å; T153-K160 HydrophobicContact CG2-CD 4.23Å; T153-L164 HydrophobicContact CG2-CD2 4.41Å
154	D	97.9	Very high	97.5	Very high	48 Å²	48	36 Å²	36	26%	0.257	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-34.2	-179.7	63.5	-20.1	0	0	0	113.5	V88 V123 H124 R126 R156	V88-D154 HydrophobicContact CG2-CB 4.07Å; V123-D154 WeakPolarHBondContact CA-OD1 3.37Å; V123-D154 VanDerWaalsContact CG1-OD1 3.29Å; V123-D154 WeakPolarHBondContact CG1-OD1 3.17Å; H124-D154 HydrophobicContact CB-CB 4.34Å; H124-D154 IonicContact CG-OD2 2.64Å; H124-D154 PolarHBondContact N-OD1 2.81Å; H124-D154 PolarHBondContact N-OD2 3.07Å; H124-D154 IonicContact ND1-OD2 3.63Å; H124-D154 PolarHBondContact ND1-OD2 3.02Å; H124-D154 PolarHBondContact O-N 2.74Å; R126-D154 HydrophobicContact CB-CB 4.29Å; D154-R156 PolarHBondContact O-N 2.65Å
155	D	97.4	Very high	97.5	Very high	58 Å²	58	34.7 Å²	34.7	31%	0.31	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-9.6	171.7	64.8	17	0	0	0	115.1	V123 T153 E157 K160	V123-D155 VanDerWaalsContact CG2-OD2 3.31Å; V123-D155 WeakPolarHBondContact CG2-OD2 3.38Å; T153-D155 VanDerWaalsContact C-N 3.26Å; T153-D155 WeakPolarHBondContact CB-OD1 3.5Å; T153-D155 PolarHBondContact O-N 3.09Å; T153-D155 PolarHBondContact OG1-OD1 2.76Å; D155-E157 HydrophobicContact CB-CG 4.42Å; D155-E157 PolarHBondContact O-N 3.02Å; D155-E157 PolarHBondContact OD1-N 3.13Å; D155-K160 IonicContact OD2-NZ 2.76Å; D155-K160 PolarHBondContact OD2-NZ 3.48Å
156	R	97	Very high	97.5	Very high	157 Å²	157	35.8 Å²	35.8	59%	0.592	17%	0.168	S	C	*	.			trans	57.5	28.9	178.7	-50.5	179.2	-173.5	-173.4	0.3	114.2	T153 D154 T158	T153-R156 WeakPolarHBondContact O-CA 3.42Å; T153-R156 PolarHBondContact O-N 2.88Å; D154-R156 PolarHBondContact O-N 2.65Å; R156-T158 PolarHBondContact O-N 3.23Å
157	E	97.2	Very high	97.5	Very high	98 Å²	98	36.4 Å²	36.4	46%	0.458	17%	0.171	S	C	.	.			trans	-77.6	99.1	175.9	-72.2	-175.1	-166.6	0	0	112.2	D155 K159 K160	D155-E157 HydrophobicContact CB-CG 4.42Å; D155-E157 PolarHBondContact O-N 3.02Å; D155-E157 PolarHBondContact OD1-N 3.13Å; E157-K159 PolarHBondContact O-N 2.79Å; E157-K160 HydrophobicContact CB-CD 4.05Å; E157-K160 HydrophobicContact CB-CG 4.2Å; E157-K160 VanDerWaalsContact CD-NZ 3.27Å; E157-K160 WeakPolarHBondContact O-CB 3.29Å; E157-K160 PolarHBondContact O-N 2.96Å; E157-K160 IonicContact OE1-NZ 3.6Å; E157-K160 WeakPolarHBondContact OE2-CE 3.45Å; E157-K160 IonicContact OE2-NZ 2.82Å; E157-K160 PolarHBondContact OE2-NZ 3.21Å
158	T	95.5	Very high	97.5	Very high	71 Å²	71	36.2 Å²	36.2	44%	0.436	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-57.3	-23.2	-177.4	58.9	0	0	0	0	115.1	R156 K160 Y161 R181	R156-T158 PolarHBondContact O-N 3.23Å; T158-K160 PolarHBondContact O-N 2.87Å; T158-Y161 HydrophobicContact CG2-CD2 4.45Å; T158-Y161 HydrophobicContact CG2-CE2 4Å; T158-Y161 WeakPolarHBondContact O-CB 3.31Å; T158-Y161 PolarHBondContact O-N 3.09Å; T158-R181 WeakPolarHBondContact CG2-O 3.31Å
159	K	96.2	Very high	97.2	Very high	197 Å²	197	36.4 Å²	36.4	86%	0.857	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-64.5	-24.5	174.9	-65.9	179.5	-177	173.4	0	112.7	E157	E157-K159 PolarHBondContact O-N 2.79Å
160	K	97.3	Very high	96.6	Very high	30 Å²	30	39 Å²	39	13%	0.13	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-78.6	-20.2	178.5	-66.6	179.9	179.1	153.5	0	112.5	W120 T153 D155 E157 T158 G162 I163 L164	W120-K160 HydrophobicContact CD2-CD 3.97Å; W120-K160 HydrophobicContact CD2-CG 4.45Å; W120-K160 HydrophobicContact CE3-CD 4.5Å; W120-K160 HydrophobicContact CG-CD 4.21Å; W120-K160 HydrophobicContact CH2-CB 3.87Å; W120-K160 HydrophobicContact CH2-CG 4.48Å; W120-K160 HydrophobicContact CZ2-CB 3.67Å; W120-K160 HydrophobicContact CZ2-CD 4.28Å; W120-K160 HydrophobicContact CZ2-CG 3.86Å; T153-K160 HydrophobicContact CG2-CB 4.19Å; T153-K160 HydrophobicContact CG2-CD 4.23Å; D155-K160 IonicContact OD2-NZ 2.76Å; D155-K160 PolarHBondContact OD2-NZ 3.48Å; E157-K160 HydrophobicContact CB-CD 4.05Å; E157-K160 HydrophobicContact CB-CG 4.2Å; E157-K160 VanDerWaalsContact CD-NZ 3.27Å; E157-K160 WeakPolarHBondContact O-CB 3.29Å; E157-K160 PolarHBondContact O-N 2.96Å; E157-K160 IonicContact OE1-NZ 3.6Å; E157-K160 WeakPolarHBondContact OE2-CE 3.45Å; E157-K160 IonicContact OE2-NZ 2.82Å; E157-K160 PolarHBondContact OE2-NZ 3.21Å; T158-K160 PolarHBondContact O-N 2.87Å; K160-G162 VanDerWaalsContact C-N 3.34Å; K160-G162 PolarHBondContact O-N 2.85Å; K160-I163 PolarHBondContact O-N 3.26Å; K160-L164 PolarHBondContact O-N 3.43Å
161	Y	98.1	Very high	96.1	Very high	6 Å²	6	38.8 Å²	38.8	2%	0.024	18%	0.183	C	C	.	.	H	α-helix	trans	-66	-32	-166.3	-70.6	7.1	0	0	0	114	T152 T158 I163 L164 A165 Y178 Y182	T152-Y161 WeakPolarHBondContact CB-OH 3.1Å; T152-Y161 HydrophobicContact CG2-CE2 4.23Å; T152-Y161 VanDerWaalsContact CG2-OH 3.25Å; T152-Y161 WeakPolarHBondContact CG2-OH 3.15Å; T158-Y161 HydrophobicContact CG2-CD2 4.45Å; T158-Y161 HydrophobicContact CG2-CE2 4Å; T158-Y161 WeakPolarHBondContact O-CB 3.31Å; T158-Y161 PolarHBondContact O-N 3.09Å; Y161-I163 VanDerWaalsContact C-N 3.34Å; Y161-I163 PolarHBondContact O-N 2.94Å; Y161-L164 HydrophobicContact CD1-CD2 4.29Å; Y161-L164 PolarHBondContact O-N 2.9Å; Y161-A165 WeakPolarHBondContact O-CB 3.46Å; Y161-A165 PolarHBondContact O-N 3.02Å; Y161-Y178 WeakPolarHBondContact CB-OH 3.39Å; Y161-Y178 HydrophobicContact CD2-CE2 4.42Å; Y161-Y182 VanDerWaalsContact CE2-C 3.45Å; Y161-Y182 VanDerWaalsContact CE2-O 3.29Å; Y161-Y182 WeakPolarHBondContact CE2-O 3.43Å; Y161-Y182 PolarHBondContact OH-O 3.2Å
162	G	97.5	Very high	95.4	Very high	8 Å²	8	39 Å²	39	8%	0.082	19%	0.186	C	C	.	.	H	α-helix	trans	-63.4	-39.1	173	0	0	0	0	0	112.8	P44 M45 K160 Q166	P44-G162 CarbonylContact C-O 3.49Å; P44-G162 WeakPolarHBondContact CA-O 3.31Å; M45-G162 PolarHBondContact N-O 2.82Å; M45-G162 WeakPolarHBondContact O-CA 3.34Å; K160-G162 VanDerWaalsContact C-N 3.34Å; K160-G162 PolarHBondContact O-N 2.85Å; G162-Q166 PolarHBondContact O-N 3.31Å
163	I	97.4	Very high	95.1	Very high	38 Å²	38	39.3 Å²	39.3	20%	0.195	19%	0.187	C	C	.	.	H	α-helix	trans	-74.9	-39.4	173.9	-64.2	-67.3	0	0	0	110.5	P44 Q119 W120 K160 Y161 A165 Q166 L167	P44-I163 HydrophobicContact CB-CD1 3.69Å; P44-I163 HydrophobicContact CB-CG1 4.06Å; P44-I163 HydrophobicContact CG-CD1 4.11Å; Q119-I163 HydrophobicContact CG-CG2 4.13Å; W120-I163 HydrophobicContact CH2-CB 3.91Å; W120-I163 HydrophobicContact CH2-CG2 3.67Å; W120-I163 HydrophobicContact CZ2-CB 3.76Å; W120-I163 HydrophobicContact CZ2-CG2 3.58Å; K160-I163 PolarHBondContact O-N 3.26Å; Y161-I163 VanDerWaalsContact C-N 3.34Å; Y161-I163 PolarHBondContact O-N 2.94Å; I163-A165 VanDerWaalsContact C-N 3.27Å; I163-A165 PolarHBondContact O-N 2.88Å; I163-Q166 CarbonylContact O-C 3.5Å; I163-Q166 PolarHBondContact O-N 3.23Å; I163-Q166 VanDerWaalsContact O-N 3.09Å; I163-L167 HydrophobicContact CG2-CD1 4.26Å; I163-L167 HydrophobicContact CG2-CG 4.24Å; I163-L167 WeakPolarHBondContact O-CG 3.36Å; I163-L167 PolarHBondContact O-N 2.88Å
164	L	98.2	Very high	94.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56.4	-43.9	175.6	177.6	63.8	0	0	0	111.1	L112 V116 W120 L125 I151 T153 K160 Y161 L167 A168 I184	L112-L164 HydrophobicContact CD1-CD1 4.42Å; V116-L164 HydrophobicContact CG2-CD1 3.5Å; V116-L164 VanDerWaalsContact CG2-CD1 3.5Å; W120-L164 HydrophobicContact CH2-CB 4.26Å; L125-L164 HydrophobicContact CD1-CD1 4.04Å; I151-L164 HydrophobicContact CD1-CD1 4.27Å; I151-L164 HydrophobicContact CD1-CD2 4.29Å; I151-L164 HydrophobicContact CD1-CG 4.12Å; I151-L164 HydrophobicContact CG1-CD2 4.27Å; T153-L164 HydrophobicContact CG2-CD2 4.41Å; K160-L164 PolarHBondContact O-N 3.43Å; Y161-L164 HydrophobicContact CD1-CD2 4.29Å; Y161-L164 PolarHBondContact O-N 2.9Å; L164-L167 WeakPolarHBondContact O-CB 3.41Å; L164-L167 PolarHBondContact O-N 3.33Å; L164-A168 PolarHBondContact O-N 3.02Å; L164-I184 HydrophobicContact CD2-CG1 4.28Å
165	A	97.9	Very high	94.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-42.7	175.8	0	0	0	0	0	111.8	M45 Y161 I163 L167 A168 V169 V176 I184	M45-A165 HydrophobicContact CB-CB 3.93Å; M45-A165 HydrophobicContact CG-CB 4.04Å; M45-A165 VanDerWaalsContact SD-C 3.6Å; M45-A165 HydrophobicContact SD-CB 3.53Å; M45-A165 VanDerWaalsContact SD-CB 3.53Å; Y161-A165 WeakPolarHBondContact O-CB 3.46Å; Y161-A165 PolarHBondContact O-N 3.02Å; I163-A165 VanDerWaalsContact C-N 3.27Å; I163-A165 PolarHBondContact O-N 2.88Å; A165-L167 VanDerWaalsContact C-N 3.33Å; A165-L167 PolarHBondContact O-N 2.87Å; A165-A168 WeakPolarHBondContact O-CB 3.29Å; A165-A168 PolarHBondContact O-N 2.82Å; A165-V169 PolarHBondContact O-N 3.33Å; A165-V176 HydrophobicContact CB-CG1 4.02Å; A165-I184 HydrophobicContact CB-CD1 3.88Å; A165-I184 HydrophobicContact CB-CG1 4Å; A165-I184 HydrophobicContact CB-CG2 3.72Å
166	Q	96.2	Very high	94.7	Very high	25 Å²	25	35.7 Å²	35.7	12%	0.117	17%	0.166	C	C	.	.	H	α-helix	trans	-64.4	-39.1	174.7	-173.4	61.9	43.7	0	0	111.9	L42 T43 M45 G162 I163 A168 V169 E170	L42-Q166 HydrophobicContact CB-CG 4.4Å; L42-Q166 HydrophobicContact CD2-CG 3.96Å; T43-Q166 WeakPolarHBondContact O-CB 3.24Å; T43-Q166 VanDerWaalsContact O-CG 3.3Å; T43-Q166 WeakPolarHBondContact O-CG 3.47Å; T43-Q166 PolarHBondContact O-OE1 3.35Å; M45-Q166 HydrophobicContact CG-CB 4.42Å; G162-Q166 PolarHBondContact O-N 3.31Å; I163-Q166 CarbonylContact O-C 3.5Å; I163-Q166 PolarHBondContact O-N 3.23Å; I163-Q166 VanDerWaalsContact O-N 3.09Å; Q166-A168 VanDerWaalsContact C-N 3.29Å; Q166-A168 PolarHBondContact O-N 3.47Å; Q166-V169 WeakPolarHBondContact O-CB 2.98Å; Q166-V169 PolarHBondContact O-N 3.01Å; Q166-E170 PolarHBondContact NE2-OE1 3.26Å; Q166-E170 WeakPolarHBondContact O-CG 3.44Å; Q166-E170 PolarHBondContact O-N 3.47Å
167	L	95.9	Very high	94.8	Very high	12 Å²	12	29.5 Å²	29.5	6%	0.063	14%	0.144	C	C	.	.	H	α-helix	trans	-62.7	-37.5	173.7	-70.3	176.4	0	0	0	111.5	L42 L112 A115 V116 Q119 W120 I163 L164 A165 V169 E170 A171	L42-L167 HydrophobicContact CD1-CD2 3.57Å; L42-L167 HydrophobicContact CD1-CG 4.46Å; L42-L167 HydrophobicContact CD2-CD2 4.41Å; L112-L167 HydrophobicContact CD1-CB 3.63Å; A115-L167 HydrophobicContact CB-CD2 4.3Å; V116-L167 HydrophobicContact CG2-CD1 4.35Å; Q119-L167 HydrophobicContact CB-CD1 3.82Å; Q119-L167 HydrophobicContact CG-CD1 3.97Å; W120-L167 HydrophobicContact CH2-CD1 4.15Å; W120-L167 HydrophobicContact CZ3-CD1 3.94Å; I163-L167 HydrophobicContact CG2-CD1 4.26Å; I163-L167 HydrophobicContact CG2-CG 4.24Å; I163-L167 WeakPolarHBondContact O-CG 3.36Å; I163-L167 PolarHBondContact O-N 2.88Å; L164-L167 WeakPolarHBondContact O-CB 3.41Å; L164-L167 PolarHBondContact O-N 3.33Å; A165-L167 VanDerWaalsContact C-N 3.33Å; A165-L167 PolarHBondContact O-N 2.87Å; L167-V169 VanDerWaalsContact C-N 3.3Å; L167-V169 PolarHBondContact O-N 3.09Å; L167-E170 PolarHBondContact O-N 3.46Å; L167-A171 VanDerWaalsContact O-CB 3.23Å; L167-A171 WeakPolarHBondContact O-CB 3.38Å; L167-A171 PolarHBondContact O-N 3.3Å
168	A	96.4	Very high	94.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.9	-37.2	175	0	0	0	0	0	111.8	L112 I151 L164 A165 Q166 A171 G172 F173 V176 C186	L112-A168 HydrophobicContact CD1-CB 4.31Å; L112-A168 HydrophobicContact CD2-CB 3.8Å; I151-A168 HydrophobicContact CD1-CB 4.34Å; L164-A168 PolarHBondContact O-N 3.02Å; A165-A168 WeakPolarHBondContact O-CB 3.29Å; A165-A168 PolarHBondContact O-N 2.82Å; Q166-A168 VanDerWaalsContact C-N 3.29Å; Q166-A168 PolarHBondContact O-N 3.47Å; A168-A171 PolarHBondContact O-N 3.36Å; A168-G172 PolarHBondContact O-N 2.81Å; A168-F173 HydrophobicContact CB-CD2 3.98Å; A168-F173 HydrophobicContact CB-CE2 4.48Å; A168-F173 WeakPolarHBondContact O-CD2 3.38Å; A168-F173 PolarHBondContact O-N 3.06Å; A168-V176 HydrophobicContact CB-CG1 4.16Å; A168-V176 HydrophobicContact CB-CG2 3.88Å; A168-C186 VanDerWaalsContact CB-SG 3.6Å
169	V	92.9	Very high	94.8	Very high	4 Å²	4	26 Å²	26	2%	0.024	12%	0.122	C	C	.	.	H	α-helix	trans	-60.3	-51.2	172.1	171.7	0	0	0	0	110.5	M45 F51 A165 Q166 L167 A171 G172 V176	M45-V169 HydrophobicContact SD-CG2 3.79Å; F51-V169 HydrophobicContact CB-CG2 3.91Å; F51-V169 HydrophobicContact CD1-CB 4.18Å; F51-V169 HydrophobicContact CD1-CG1 3.36Å; F51-V169 HydrophobicContact CD1-CG2 3.7Å; F51-V169 HydrophobicContact CE1-CG1 3.43Å; F51-V169 VanDerWaalsContact CE1-CG1 3.43Å; F51-V169 HydrophobicContact CG-CG1 4.14Å; F51-V169 HydrophobicContact CG-CG2 4.04Å; F51-V169 HydrophobicContact CZ-CG1 4.27Å; A165-V169 PolarHBondContact O-N 3.33Å; Q166-V169 WeakPolarHBondContact O-CB 2.98Å; Q166-V169 PolarHBondContact O-N 3.01Å; L167-V169 VanDerWaalsContact C-N 3.3Å; L167-V169 PolarHBondContact O-N 3.09Å; V169-A171 VanDerWaalsContact C-N 3.27Å; V169-A171 PolarHBondContact O-N 3.28Å; V169-G172 PolarHBondContact O-N 3.27Å; V169-V176 HydrophobicContact CG2-CB 3.79Å; V169-V176 HydrophobicContact CG2-CG1 4.3Å; V169-V176 HydrophobicContact CG2-CG2 3.76Å
170	E	86.3	Confident	94.7	Very high	56 Å²	56	17.6 Å²	17.6	26%	0.262	9%	0.088	S	C	.	.	H	α-helix	trans	-68.9	-24.6	179.3	-55.1	-59.1	146.7	0	0	113	L42 Q166 L167 G172 R294	L42-E170 HydrophobicContact CD2-CG 3.91Å; Q166-E170 PolarHBondContact NE2-OE1 3.26Å; Q166-E170 WeakPolarHBondContact O-CG 3.44Å; Q166-E170 PolarHBondContact O-N 3.47Å; L167-E170 PolarHBondContact O-N 3.46Å; E170-G172 PolarHBondContact O-N 3.2Å; E170-R294 IonicContact OE1-NH2 3.99Å; E170-R294 IonicContact OE2-CZ 3.37Å; E170-R294 IonicContact OE2-NH2 2.98Å; E170-R294 PolarHBondContact OE2-NH2 3.42Å
171	A	86.7	Confident	94.6	Very high	4 Å²	4	24.1 Å²	24.1	3%	0.033	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	5.3	172	0	0	0	0	0	112.5	R111 L112 L167 A168 V169 F173	R111-A171 HydrophobicContact CB-CB 4.15Å; R111-A171 PolarHBondContact NE-O 3.08Å; R111-A171 PolarHBondContact NH1-O 2.9Å; R111-A171 VanDerWaalsContact NH1-O 3.07Å; R111-A171 PolarHBondContact NH2-O 3.05Å; L112-A171 HydrophobicContact CB-CB 3.76Å; L112-A171 HydrophobicContact CD1-CB 4.18Å; L167-A171 VanDerWaalsContact O-CB 3.23Å; L167-A171 WeakPolarHBondContact O-CB 3.38Å; L167-A171 PolarHBondContact O-N 3.3Å; A168-A171 PolarHBondContact O-N 3.36Å; V169-A171 VanDerWaalsContact C-N 3.27Å; V169-A171 PolarHBondContact O-N 3.28Å; A171-F173 HydrophobicContact CB-CD2 4.48Å
172	G	83.8	Confident	94.4	Very high	5 Å²	5	32.3 Å²	32.3	5%	0.052	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	26	170	0	0	0	0	0	115	C108 A168 V169 E170 H445	C108-G172 PolarHBondContact SG-O 3.15Å; A168-G172 PolarHBondContact O-N 2.81Å; V169-G172 PolarHBondContact O-N 3.27Å; E170-G172 PolarHBondContact O-N 3.2Å; G172-H445 WeakPolarHBondContact CA-O 3.49Å
173	F	94.1	Very high	94.4	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.035	15%	0.147	C	C	.	.			trans	-64.8	135.7	164.2	-78.9	-87.8	0	0	0	109.8	C108 L109 L112 V149 A168 A171 W175 V176 C186 V188	C108-F173 HydrophobicContact CB-CD1 4.2Å; C108-F173 HydrophobicContact CB-CD2 3.9Å; C108-F173 HydrophobicContact CB-CE1 4.09Å; C108-F173 HydrophobicContact CB-CE2 3.76Å; C108-F173 HydrophobicContact CB-CG 4.13Å; C108-F173 HydrophobicContact CB-CZ 3.87Å; L109-F173 HydrophobicContact CB-CZ 4.2Å; L109-F173 HydrophobicContact CD1-CZ 4Å; L112-F173 HydrophobicContact CB-CE2 4.21Å; L112-F173 HydrophobicContact CD2-CE2 3.85Å; V149-F173 HydrophobicContact CG2-CE1 3.8Å; V149-F173 HydrophobicContact CG2-CZ 4.04Å; A168-F173 HydrophobicContact CB-CD2 3.98Å; A168-F173 HydrophobicContact CB-CE2 4.48Å; A168-F173 WeakPolarHBondContact O-CD2 3.38Å; A168-F173 PolarHBondContact O-N 3.06Å; A171-F173 HydrophobicContact CB-CD2 4.48Å; F173-W175 VanDerWaalsContact C-N 3.29Å; F173-W175 PolarHBondContact O-N 3.49Å; F173-V176 HydrophobicContact CB-CG2 3.64Å; F173-C186 HydrophobicContact CB-CB 4.29Å; F173-C186 HydrophobicContact CD1-CB 3.42Å; F173-C186 VanDerWaalsContact CD1-CB 3.42Å; F173-C186 HydrophobicContact CD2-CB 4.25Å; F173-C186 HydrophobicContact CE1-CB 3.65Å; F173-C186 HydrophobicContact CE2-CB 4.45Å; F173-C186 HydrophobicContact CG-CB 3.73Å; F173-C186 HydrophobicContact CZ-CB 4.17Å; F173-V188 HydrophobicContact CD1-CG1 3.77Å; F173-V188 HydrophobicContact CE1-CG1 4.21Å
174	D	90.3	Very high	94.5	Very high	13 Å²	13	31.7 Å²	31.7	7%	0.07	14%	0.138	C	C	.	.	S	Bend	trans	-74.8	-23.1	-174.9	-62.9	-75.9	0	0	0	112.6	P52 R104 S187 V188 K189	P52-D174 WeakPolarHBondContact CD-O 3.44Å; R104-D174 IonicContact CZ-OD1 3.75Å; R104-D174 IonicContact CZ-OD2 2.87Å; R104-D174 IonicContact NE-OD1 3.91Å; R104-D174 IonicContact NE-OD2 3.96Å; R104-D174 PolarHBondContact NE-OD2 3.35Å; R104-D174 IonicContact NH2-OD1 2.98Å; R104-D174 PolarHBondContact NH2-OD1 3.36Å; R104-D174 IonicContact NH2-OD2 3.74Å; R104-D174 PolarHBondContact NH2-OD2 3.42Å; D174-S187 PolarHBondContact N-O 2.91Å; D174-V188 VanDerWaalsContact OD2-CA 3.25Å; D174-V188 WeakPolarHBondContact OD2-CA 3.45Å; D174-V188 WeakPolarHBondContact OD2-CB 3.38Å; D174-K189 HydrophobicContact CB-CG 4.01Å; D174-K189 WeakPolarHBondContact OD1-CD 3.48Å; D174-K189 WeakPolarHBondContact OD1-CE 3.09Å; D174-K189 PolarHBondContact OD2-N 3.5Å
175	W	96.4	Very high	94.5	Very high	17 Å²	17	32 Å²	32	6%	0.064	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	133.2	170.4	-165	75.5	0	0	0	110.5	F50 F51 F54 E56 A61 S62 F173 H177 H185 C186 S187	F50-W175 HydrophobicContact CB-CH2 4.37Å; F50-W175 HydrophobicContact CB-CZ2 3.53Å; F50-W175 HydrophobicContact CD1-CZ2 4.43Å; F50-W175 HydrophobicContact CD2-CZ2 4.21Å; F50-W175 AromaticContact CD2-NE1 3.85Å; F50-W175 AromaticContact CG-CZ2 3.81Å; F50-W175 HydrophobicContact CG-CZ2 3.81Å; F51-W175 CarbonylContact O-C 3.51Å; F51-W175 WeakPolarHBondContact O-CA 3.39Å; F54-W175 PolarHBondContact O-NE1 2.82Å; E56-W175 HydrophobicContact CB-CD2 3.71Å; E56-W175 HydrophobicContact CB-CE3 3.65Å; E56-W175 HydrophobicContact CB-CG 4.3Å; E56-W175 HydrophobicContact CB-CH2 4.01Å; E56-W175 HydrophobicContact CB-CZ2 4.09Å; E56-W175 HydrophobicContact CB-CZ3 3.79Å; E56-W175 HydrophobicContact CG-CD2 3.9Å; E56-W175 HydrophobicContact CG-CE3 3.56Å; E56-W175 HydrophobicContact CG-CG 4.34Å; E56-W175 HydrophobicContact CG-CZ3 3.97Å; A61-W175 HydrophobicContact CB-CB 4.09Å; A61-W175 HydrophobicContact CB-CG 4.04Å; S62-W175 VanDerWaalsContact OG-CB 3.23Å; S62-W175 WeakPolarHBondContact OG-CB 3.38Å; F173-W175 VanDerWaalsContact C-N 3.29Å; F173-W175 PolarHBondContact O-N 3.49Å; W175-H177 HydrophobicContact CE3-CB 4Å; W175-H177 HydrophobicContact CH2-CB 3.31Å; W175-H177 AromaticContact CH2-CG 3.57Å; W175-H177 AromaticContact CH2-ND1 3.54Å; W175-H177 HydrophobicContact CZ2-CB 3.86Å; W175-H177 HydrophobicContact CZ3-CB 3.39Å; W175-H185 AromaticContact CE3-CD2 3.71Å; W175-H185 AromaticContact CZ3-CD2 3.45Å; W175-H185 VanDerWaalsContact CZ3-CD2 3.45Å; W175-H185 WeakPolarHBondContact CZ3-CD2 3.49Å; W175-H185 AromaticContact CZ3-NE2 4Å; W175-C186 CarbonylContact O-C 3.59Å; W175-C186 WeakPolarHBondContact O-CA 3.47Å; W175-S187 PolarHBondContact N-O 3.14Å; W175-S187 VanDerWaalsContact N-O 3.14Å; W175-S187 PolarHBondContact O-N 2.73Å
176	V	98.1	Very high	94.5	Very high	0 Å²	0	32 Å²	32	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.3	177.5	179.4	0	0	0	0	108.5	M45 F50 F51 A165 A168 V169 F173 I184 H185 C186	M45-V176 HydrophobicContact CE-CG1 4.31Å; M45-V176 HydrophobicContact SD-CB 4.44Å; M45-V176 HydrophobicContact SD-CG1 3.92Å; F50-V176 CarbonylContact C-O 3.4Å; F50-V176 WeakPolarHBondContact CA-O 3.35Å; F50-V176 WeakPolarHBondContact CB-O 3.47Å; F51-V176 PolarHBondContact N-O 2.82Å; F51-V176 PolarHBondContact O-N 2.93Å; A165-V176 HydrophobicContact CB-CG1 4.02Å; A168-V176 HydrophobicContact CB-CG1 4.16Å; A168-V176 HydrophobicContact CB-CG2 3.88Å; V169-V176 HydrophobicContact CG2-CB 3.79Å; V169-V176 HydrophobicContact CG2-CG1 4.3Å; V169-V176 HydrophobicContact CG2-CG2 3.76Å; F173-V176 HydrophobicContact CB-CG2 3.64Å; V176-I184 HydrophobicContact CG1-CG2 3.7Å; V176-H185 WeakPolarHBondContact CA-O 3.4Å; V176-C186 HydrophobicContact CG2-CB 4.48Å
177	H	98.1	Very high	94.6	Very high	28 Å²	28	30.9 Å²	30.9	13%	0.13	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	125.2	179.9	177.1	-148	0	0	0	110.5	Q49 F50 W175 E179 H185	Q49-H177 PolarHBondContact O-CD2 3.23Å; F50-H177 HydrophobicContact CB-CB 3.89Å; W175-H177 HydrophobicContact CE3-CB 4Å; W175-H177 HydrophobicContact CH2-CB 3.31Å; W175-H177 AromaticContact CH2-CG 3.57Å; W175-H177 AromaticContact CH2-ND1 3.54Å; W175-H177 HydrophobicContact CZ2-CB 3.86Å; W175-H177 HydrophobicContact CZ3-CB 3.39Å; H177-E179 PolarHBondContact O-N 2.92Å; H177-H185 HydrophobicContact CB-CB 4.4Å; H177-H185 PolarHBondContact N-O 3.17Å; H177-H185 PolarHBondContact O-N 3.34Å
178	Y	97.7	Very high	94.5	Very high	25 Å²	25	30.3 Å²	30.3	10%	0.098	13%	0.131	C	C	.	.			trans	-75.7	71.5	167.7	-162.5	162.4	0	0	0	109.5	R46 Y47 K48 Q49 Y161 S180 I184	R46-Y178 WeakPolarHBondContact O-CB 3.09Å; Y47-Y178 HydrophobicContact CD2-CD2 4.03Å; Y47-Y178 HydrophobicContact CD2-CE2 4.15Å; Y47-Y178 HydrophobicContact CD2-CG 4.43Å; K48-Y178 VanDerWaalsContact CA-O 3.31Å; K48-Y178 WeakPolarHBondContact CA-O 3.2Å; K48-Y178 PolarHBondContact N-O 3.26Å; Q49-Y178 PolarHBondContact O-N 2.91Å; Y161-Y178 WeakPolarHBondContact CB-OH 3.39Å; Y161-Y178 HydrophobicContact CD2-CE2 4.42Å; Y178-S180 WeakPolarHBondContact CD2-O 3.26Å; Y178-S180 WeakPolarHBondContact CE2-O 3.21Å; Y178-I184 HydrophobicContact CD1-CD1 3.98Å; Y178-I184 HydrophobicContact CD2-CD1 3.2Å; Y178-I184 HydrophobicContact CE1-CD1 4.33Å; Y178-I184 HydrophobicContact CE2-CD1 3.58Å; Y178-I184 HydrophobicContact CG-CD1 3.43Å; Y178-I184 VanDerWaalsContact CG-CD1 3.43Å
179	E	94.6	Very high	94.3	Very high	69 Å²	69	30.6 Å²	30.6	32%	0.322	13%	0.133	S	C	.	.			trans	-67.5	-50	-167.9	-174.9	-176.2	-157	0	0	112.6	K48 H177 H183 H185	K48-E179 WeakPolarHBondContact CD-O 3.08Å; K48-E179 VanDerWaalsContact CE-O 3.29Å; K48-E179 WeakPolarHBondContact CE-O 2.99Å; K48-E179 PolarHBondContact NZ-O 3.39Å; H177-E179 PolarHBondContact O-N 2.92Å; E179-H183 IonicContact OE2-CD2 2.98Å; E179-H183 IonicContact OE2-CE1 3.84Å; E179-H183 IonicContact OE2-NE2 3.56Å; E179-H183 PolarHBondContact OE2-NE2 3.29Å; E179-H185 HydrophobicContact CB-CB 4.02Å
180	S	95	Very high	93.9	Very high	21 Å²	21	30.8 Å²	30.8	15%	0.147	13%	0.134	C	C	.	.	S	Bend	trans	-127.5	170	-174.2	96.6	0	0	0	0	110.4	Y178 Y182 H183	Y178-S180 WeakPolarHBondContact CD2-O 3.26Å; Y178-S180 WeakPolarHBondContact CE2-O 3.21Å; S180-Y182 PolarHBondContact O-N 3.14Å; S180-Y182 PolarHBondContact OG-N 2.88Å; S180-H183 PolarHBondContact OG-CE1 3.02Å; S180-H183 VanDerWaalsContact OG-CE1 3.31Å; S180-H183 PolarHBondContact OG-N 3.35Å; S180-H183 VanDerWaalsContact OG-N 3.08Å; S180-H183 PolarHBondContact OG-ND1 3.04Å
181	R	94.2	Very high	93.4	Very high	167 Å²	167	30.5 Å²	30.5	63%	0.63	14%	0.135	S	C	*	.	S	Bend	trans	-74	-9.1	172.2	-69.6	-171.2	177.6	-168.1	0.5	112.6	Y47 T158	Y47-R181 HydrophobicContact CD2-CG 4.38Å; Y47-R181 HydrophobicContact CE2-CG 3.92Å; T158-R181 WeakPolarHBondContact CG2-O 3.31Å
182	Y	95.2	Very high	92.4	Very high	178 Å²	178	36.8 Å²	36.8	70%	0.698	16%	0.161	S	C	*	.	S	Bend	trans	-110.7	-15.4	-168.9	-56.8	-66.3	0	0	0	113.3	T152 Y161 S180	T152-Y182 WeakPolarHBondContact CG2-O 3.32Å; Y161-Y182 VanDerWaalsContact CE2-C 3.45Å; Y161-Y182 VanDerWaalsContact CE2-O 3.29Å; Y161-Y182 WeakPolarHBondContact CE2-O 3.43Å; Y161-Y182 PolarHBondContact OH-O 3.2Å; S180-Y182 PolarHBondContact O-N 3.14Å; S180-Y182 PolarHBondContact OG-N 2.88Å
183	H	97.6	Very high	91.2	Very high	33 Å²	33	37.9 Å²	37.9	15%	0.153	17%	0.168	C	C	.	.			trans	-157.7	161.6	177.1	66.9	-87.3	0	0	0	111.8	D150 I151 T152 E179 S180	D150-H183 HydrophobicContact CB-CB 4.21Å; D150-H183 VanDerWaalsContact CB-CD2 3.48Å; D150-H183 WeakPolarHBondContact CB-CD2 3.48Å; D150-H183 IonicContact OD1-CD2 3.21Å; D150-H183 PolarHBondContact OD1-CD2 3.18Å; D150-H183 IonicContact OD1-NE2 2.82Å; D150-H183 IonicContact OD2-CD2 2.89Å; D150-H183 IonicContact OD2-CE1 2.88Å; D150-H183 IonicContact OD2-NE2 3.69Å; D150-H183 PolarHBondContact OD2-NE2 3.36Å; I151-H183 WeakPolarHBondContact O-CA 3.43Å; T152-H183 HydrophobicContact CG2-CB 4.09Å; E179-H183 IonicContact OE2-CD2 2.98Å; E179-H183 IonicContact OE2-CE1 3.84Å; E179-H183 IonicContact OE2-NE2 3.56Å; E179-H183 PolarHBondContact OE2-NE2 3.29Å; S180-H183 PolarHBondContact OG-CE1 3.02Å; S180-H183 VanDerWaalsContact OG-CE1 3.31Å; S180-H183 PolarHBondContact OG-N 3.35Å; S180-H183 VanDerWaalsContact OG-N 3.08Å; S180-H183 PolarHBondContact OG-ND1 3.04Å
184	I	98.5	Very high	89	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131.6	166.8	-54.5	-56	0	0	0	107.4	D150 I151 L164 A165 V176 Y178	D150-I184 CarbonylContact C-O 3.49Å; D150-I184 WeakPolarHBondContact CA-O 3.3Å; I151-I184 HydrophobicContact CD1-CB 4.47Å; I151-I184 HydrophobicContact CG1-CB 3.89Å; I151-I184 HydrophobicContact CG1-CG2 4.49Å; I151-I184 WeakPolarHBondContact CG1-O 3.22Å; I151-I184 PolarHBondContact N-O 3.34Å; I151-I184 PolarHBondContact O-N 2.82Å; L164-I184 HydrophobicContact CD2-CG1 4.28Å; A165-I184 HydrophobicContact CB-CD1 3.88Å; A165-I184 HydrophobicContact CB-CG1 4Å; A165-I184 HydrophobicContact CB-CG2 3.72Å; V176-I184 HydrophobicContact CG1-CG2 3.7Å; Y178-I184 HydrophobicContact CD1-CD1 3.98Å; Y178-I184 HydrophobicContact CD2-CD1 3.2Å; Y178-I184 HydrophobicContact CE1-CD1 4.33Å; Y178-I184 HydrophobicContact CE2-CD1 3.58Å; Y178-I184 HydrophobicContact CG-CD1 3.43Å; Y178-I184 VanDerWaalsContact CG-CD1 3.43Å
185	H	98.5	Very high	87.1	Confident	8 Å²	8	41.5 Å²	41.5	4%	0.037	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	132.6	173.3	178.7	89.8	0	0	0	109.2	E56 H143 D150 W175 V176 H177 E179	E56-H185 IonicContact OE1-CE1 4Å; E56-H185 IonicContact OE1-NE2 3.55Å; E56-H185 PolarHBondContact OE1-NE2 2.88Å; E56-H185 IonicContact OE2-NE2 2.77Å; H143-H185 AromaticContact CD2-CE1 3.63Å; H143-H185 AromaticContact NE2-CE1 3.15Å; H143-H185 PolarHBondContact NE2-CE1 3.27Å; H143-H185 AromaticContact NE2-ND1 3.21Å; H143-H185 PolarHBondContact NE2-ND1 2.93Å; D150-H185 WeakPolarHBondContact OD1-CA 3.42Å; D150-H185 WeakPolarHBondContact OD1-CB 3.36Å; D150-H185 IonicContact OD1-CG 2.57Å; D150-H185 IonicContact OD1-ND1 3.61Å; D150-H185 PolarHBondContact OD1-ND1 2.78Å; W175-H185 AromaticContact CE3-CD2 3.71Å; W175-H185 AromaticContact CZ3-CD2 3.45Å; W175-H185 VanDerWaalsContact CZ3-CD2 3.45Å; W175-H185 WeakPolarHBondContact CZ3-CD2 3.49Å; W175-H185 AromaticContact CZ3-NE2 4Å; V176-H185 WeakPolarHBondContact CA-O 3.4Å; H177-H185 HydrophobicContact CB-CB 4.4Å; H177-H185 PolarHBondContact N-O 3.17Å; H177-H185 PolarHBondContact O-N 3.34Å; E179-H185 HydrophobicContact CB-CB 4.02Å
186	C	98.4	Very high	84.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	136.9	176.6	-55.4	0	0	0	0	110	A148 V149 A168 F173 W175 V176	A148-C186 CarbonylContact C-O 3.57Å; A148-C186 VanDerWaalsContact CA-O 3.25Å; A148-C186 WeakPolarHBondContact CA-O 3.39Å; V149-C186 HydrophobicContact CG2-CB 3.95Å; V149-C186 PolarHBondContact N-O 3.13Å; V149-C186 PolarHBondContact O-N 3.11Å; A168-C186 VanDerWaalsContact CB-SG 3.6Å; F173-C186 HydrophobicContact CB-CB 4.29Å; F173-C186 HydrophobicContact CD1-CB 3.42Å; F173-C186 VanDerWaalsContact CD1-CB 3.42Å; F173-C186 HydrophobicContact CD2-CB 4.25Å; F173-C186 HydrophobicContact CE1-CB 3.65Å; F173-C186 HydrophobicContact CE2-CB 4.45Å; F173-C186 HydrophobicContact CG-CB 3.73Å; F173-C186 HydrophobicContact CZ-CB 4.17Å; W175-C186 CarbonylContact O-C 3.59Å; W175-C186 WeakPolarHBondContact O-CA 3.47Å; V176-C186 HydrophobicContact CG2-CB 4.48Å
187	S	98	Very high	82.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	163.7	178.3	64.3	0	0	0	0	113.3	E56 S62 R147 D174 W175	E56-S187 WeakPolarHBondContact CG-OG 3.48Å; E56-S187 WeakPolarHBondContact OE1-CB 3.45Å; E56-S187 PolarHBondContact OE1-OG 3.06Å; S62-S187 WeakPolarHBondContact CB-OG 3.28Å; S62-S187 WeakPolarHBondContact OG-CB 3.49Å; S62-S187 PolarHBondContact OG-O 3.02Å; S62-S187 PolarHBondContact OG-OG 2.95Å; R147-S187 CarbonylContact O-C 3.45Å; R147-S187 WeakPolarHBondContact O-CA 3.27Å; R147-S187 WeakPolarHBondContact O-CB 3.26Å; D174-S187 PolarHBondContact N-O 2.91Å; W175-S187 PolarHBondContact N-O 3.14Å; W175-S187 VanDerWaalsContact N-O 3.14Å; W175-S187 PolarHBondContact O-N 2.73Å
188	V	94.8	Very high	80.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.226	C	C	.	.			trans	-128.5	158.5	-176.1	-60	0	0	0	0	112.2	S62 R104 C105 C108 R147 F173 D174	S62-V188 PolarHBondContact OG-N 2.88Å; R104-V188 HydrophobicContact CB-CG2 4.36Å; R104-V188 HydrophobicContact CG-CB 4.02Å; R104-V188 HydrophobicContact CG-CG1 4.23Å; R104-V188 HydrophobicContact CG-CG2 4.29Å; C105-V188 HydrophobicContact CB-CG1 4.49Å; C105-V188 HydrophobicContact CB-CG2 3.69Å; C108-V188 HydrophobicContact CB-CG1 4.49Å; R147-V188 HydrophobicContact CB-CG2 4.25Å; R147-V188 HydrophobicContact CG-CG2 4.44Å; R147-V188 PolarHBondContact NE-O 3.24Å; R147-V188 PolarHBondContact NH2-O 3.19Å; R147-V188 VanDerWaalsContact NH2-O 3.12Å; R147-V188 WeakPolarHBondContact O-CG2 3.46Å; R147-V188 PolarHBondContact O-N 2.96Å; F173-V188 HydrophobicContact CD1-CG1 3.77Å; F173-V188 HydrophobicContact CE1-CG1 4.21Å; D174-V188 VanDerWaalsContact OD2-CA 3.25Å; D174-V188 WeakPolarHBondContact OD2-CA 3.45Å; D174-V188 WeakPolarHBondContact OD2-CB 3.38Å
189	K	90.3	Very high	78.8	Confident	7 Å²	7	49.1 Å²	49.1	3%	0.03	23%	0.234	C	C	.	.			trans	-61.3	152.9	165.8	-67.3	173.6	-169.4	-59.9	0	111.5	L59 A61 S62 D174 S193 A195 V196	L59-K189 PolarHBondContact O-NZ 2.87Å; A61-K189 WeakPolarHBondContact O-CE 3.26Å; A61-K189 PolarHBondContact O-NZ 2.86Å; S62-K189 VanDerWaalsContact O-CA 3.23Å; S62-K189 WeakPolarHBondContact O-CA 3.35Å; S62-K189 WeakPolarHBondContact O-CG 3.5Å; D174-K189 HydrophobicContact CB-CG 4.01Å; D174-K189 WeakPolarHBondContact OD1-CD 3.48Å; D174-K189 WeakPolarHBondContact OD1-CE 3.09Å; D174-K189 PolarHBondContact OD2-N 3.5Å; K189-S193 WeakPolarHBondContact CB-OG 3.45Å; K189-A195 HydrophobicContact CD-CB 3.95Å; K189-V196 HydrophobicContact CB-CG2 3.96Å; K189-V196 HydrophobicContact CD-CG2 4.04Å
190	A	85.8	Confident	77.8	Confident	7 Å²	7	46 Å²	46	6%	0.058	22%	0.22	C	C	.	.			trans	-60.5	143.8	170.9	0	0	0	0	0	110.4	E66 K192 S193	E66-A190 WeakPolarHBondContact OE1-CB 3.41Å; A190-K192 PolarHBondContact O-N 3.36Å; A190-S193 WeakPolarHBondContact O-CB 3.01Å; A190-S193 PolarHBondContact O-N 2.7Å; A190-S193 PolarHBondContact O-OG 2.82Å
191	D	75.9	Confident	77.6	Confident	51 Å²	51	45.1 Å²	45.1	27%	0.273	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-26	-177.7	-75.5	-16.5	0	0	0	112.6	K103 R104	K103-D191 PolarHBondContact N-OD2 3.03Å; K103-D191 VanDerWaalsContact N-OD2 3.09Å; R104-D191 WeakPolarHBondContact CB-OD1 3.48Å; R104-D191 PolarHBondContact N-OD1 2.72Å
192	K	65.8	Low	77.7	Confident	136 Å²	136	37.1 Å²	37.1	59%	0.591	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	11	179.7	-65	174.2	179.5	157.1	0	114.3	A190	A190-K192 PolarHBondContact O-N 3.36Å
193	S	57.1	Low	77.6	Confident	27 Å²	27	28.7 Å²	28.7	19%	0.189	15%	0.15	C	C	.	.			trans	-67.2	140.1	-179.5	66.2	0	0	0	0	111.5	K189 A190 A195 V196 E197	K189-S193 WeakPolarHBondContact CB-OG 3.45Å; A190-S193 WeakPolarHBondContact O-CB 3.01Å; A190-S193 PolarHBondContact O-N 2.7Å; A190-S193 PolarHBondContact O-OG 2.82Å; S193-A195 PolarHBondContact O-N 2.86Å; S193-A195 VanDerWaalsContact O-N 3.09Å; S193-V196 PolarHBondContact O-N 3.14Å; S193-V196 WeakPolarHBondContact OG-CG2 3.27Å; S193-E197 PolarHBondContact O-N 2.82Å; S193-E197 VanDerWaalsContact O-N 3.13Å
194	E	49.8	Very low	77.5	Confident	60 Å²	60	27.5 Å²	27.5	28%	0.28	15%	0.147	S	C	.	.	H	α-helix	trans	-55.4	-31.5	179.8	-64.6	-170.4	139.8	0	0	112.4	V196 R198 S251 S253	E194-V196 VanDerWaalsContact C-N 3.32Å; E194-V196 PolarHBondContact O-N 3.45Å; E194-R198 HydrophobicContact CB-CG 4.44Å; E194-R198 WeakPolarHBondContact O-CA 3.18Å; E194-R198 WeakPolarHBondContact O-CB 3.44Å; E194-R198 WeakPolarHBondContact O-CG 3.49Å; E194-R198 PolarHBondContact O-N 3.05Å; E194-R198 IonicContact OE1-CZ 3.32Å; E194-R198 IonicContact OE1-NH1 3.99Å; E194-R198 PolarHBondContact OE1-NH1 2.87Å; E194-R198 IonicContact OE1-NH2 2.74Å; E194-S251 PolarHBondContact OE1-OG 3.27Å; E194-S251 PolarHBondContact OE2-OG 2.82Å; E194-S253 PolarHBondContact OE2-OG 2.76Å; E194-S253 VanDerWaalsContact OE2-OG 3.09Å
195	A	49.8	Very low	77.4	Confident	38 Å²	38	32.6 Å²	32.6	31%	0.314	17%	0.166	S	C	.	.	H	α-helix	trans	-67.8	-27.8	177.1	0	0	0	0	0	113.7	K189 S193	K189-A195 HydrophobicContact CD-CB 3.95Å; S193-A195 PolarHBondContact O-N 2.86Å; S193-A195 VanDerWaalsContact O-N 3.09Å
196	V	48.2	Very low	77.3	Confident	20 Å²	20	32.2 Å²	32.2	12%	0.121	16%	0.164	C	C	.	.	H	α-helix	trans	-89.5	-35.2	179.6	173.8	0	0	0	0	111.2	K189 S193 E194	K189-V196 HydrophobicContact CB-CG2 3.96Å; K189-V196 HydrophobicContact CD-CG2 4.04Å; S193-V196 PolarHBondContact O-N 3.14Å; S193-V196 WeakPolarHBondContact OG-CG2 3.27Å; E194-V196 VanDerWaalsContact C-N 3.32Å; E194-V196 PolarHBondContact O-N 3.45Å
197	E	50.8	Low	77.3	Confident	123 Å²	123	38 Å²	38	58%	0.575	19%	0.186	S	C	*	.	H	α-helix	trans	-90.6	-23.6	-179.2	-69.7	-146.3	150.5	0	0	115	S193	S193-E197 PolarHBondContact O-N 2.82Å; S193-E197 VanDerWaalsContact O-N 3.13Å
198	R	53.6	Low	77.2	Confident	63 Å²	63	38 Å²	38	24%	0.238	19%	0.186	C	C	.	.	S	Bend	trans	-118.3	2.4	-163.1	-45.3	-168.9	-178	168.2	8.2	115.8	E194 H246 D248 S422 V424	E194-R198 HydrophobicContact CB-CG 4.44Å; E194-R198 WeakPolarHBondContact O-CA 3.18Å; E194-R198 WeakPolarHBondContact O-CB 3.44Å; E194-R198 WeakPolarHBondContact O-CG 3.49Å; E194-R198 PolarHBondContact O-N 3.05Å; E194-R198 IonicContact OE1-CZ 3.32Å; E194-R198 IonicContact OE1-NH1 3.99Å; E194-R198 PolarHBondContact OE1-NH1 2.87Å; E194-R198 IonicContact OE1-NH2 2.74Å; R198-H246 VanDerWaalsContact CB-CE1 3.44Å; R198-H246 WeakPolarHBondContact CB-CE1 3.49Å; R198-H246 WeakPolarHBondContact CD-CE1 3.31Å; R198-H246 WeakPolarHBondContact CD-NE2 3.45Å; R198-D248 IonicContact NH1-OD2 3.76Å; R198-S422 PolarHBondContact NH1-OG 3.22Å; R198-V424 HydrophobicContact CB-CG2 3.85Å; R198-V424 HydrophobicContact CG-CG2 3.84Å
199	G	63.2	Low	77.3	Confident	24 Å²	24	38.7 Å²	38.7	25%	0.247	19%	0.19	C	C	.	.			trans	65.2	-176	179.7	0	0	0	0	0	113.3
200	G	74.5	Confident	77.6	Confident	3 Å²	3	39 Å²	39	3%	0.031	19%	0.193	C	C	.	.			trans	-82.1	141.5	179.6	0	0	0	0	0	114.9	T269 H272 A347	G200-T269 WeakPolarHBondContact CA-OG1 3.27Å; G200-H272 PolarHBondContact O-ND1 2.94Å; G200-A347 PolarHBondContact N-O 3.47Å
201	C	90.4	Very high	77.9	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.014	21%	0.208	C	C	.	.			trans	-139.6	171.8	-169.8	-61.8	0	0	0	0	112.4	H246 T269 V326	C201-H246 PolarHBondContact SG-ND1 3.03Å; C201-T269 HydrophobicContact CB-CG2 4.07Å; C201-T269 PolarHBondContact N-OG1 2.96Å; C201-T269 WeakPolarHBondContact O-CG2 3.34Å; C201-T269 PolarHBondContact O-N 3.19Å; C201-T269 PolarHBondContact O-OG1 2.77Å; C201-V326 HydrophobicContact CB-CB 3.8Å; C201-V326 HydrophobicContact CB-CG1 4.08Å
202	F	94.8	Very high	78.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-120.2	153.9	174	-58.1	-82.1	0	0	0	110.9	A206 L218 L266 V268 H272 V326 F327 M336 V338 V343	F202-A206 HydrophobicContact CB-CB 4.4Å; F202-L218 HydrophobicContact CB-CD1 3.2Å; F202-L218 HydrophobicContact CD2-CD1 4.05Å; F202-L218 HydrophobicContact CG-CD1 3.78Å; F202-L266 HydrophobicContact CD1-CD1 4.49Å; F202-L266 HydrophobicContact CE1-CD1 4.12Å; F202-V268 HydrophobicContact CD1-CB 4.07Å; F202-V268 HydrophobicContact CD1-CG2 3.78Å; F202-V268 HydrophobicContact CE1-CB 3.94Å; F202-V268 HydrophobicContact CE1-CG2 3.4Å; F202-V268 VanDerWaalsContact CE1-CG2 3.4Å; F202-V268 HydrophobicContact CZ-CG2 4.01Å; F202-H272 AromaticContact CE2-CE1 3.11Å; F202-H272 WeakPolarHBondContact CE2-CE1 3.44Å; F202-H272 AromaticContact CE2-ND1 3.69Å; F202-H272 AromaticContact CE2-NE2 3.37Å; F202-H272 WeakPolarHBondContact CE2-NE2 3.3Å; F202-H272 AromaticContact CZ-CD2 3.51Å; F202-H272 AromaticContact CZ-CE1 3.39Å; F202-H272 WeakPolarHBondContact CZ-CE1 3.47Å; F202-H272 AromaticContact CZ-CG 3.91Å; F202-H272 AromaticContact CZ-ND1 3.81Å; F202-H272 AromaticContact CZ-NE2 3.17Å; F202-H272 WeakPolarHBondContact CZ-NE2 3.41Å; F202-V326 WeakPolarHBondContact O-CA 3.18Å; F202-F327 WeakPolarHBondContact CD2-O 3.3Å; F202-F327 PolarHBondContact N-O 2.95Å; F202-F327 PolarHBondContact O-N 2.66Å; F202-M336 HydrophobicContact CD2-CE 3.74Å; F202-M336 HydrophobicContact CE2-CE 3.03Å; F202-M336 HydrophobicContact CZ-CE 3.56Å; F202-V338 HydrophobicContact CD1-CB 4.35Å; F202-V338 HydrophobicContact CD1-CG1 3.89Å; F202-V338 HydrophobicContact CD1-CG2 4.27Å; F202-V338 HydrophobicContact CE1-CB 4.19Å; F202-V338 HydrophobicContact CE1-CG1 4.23Å; F202-V338 HydrophobicContact CE1-CG2 4.03Å; F202-V338 HydrophobicContact CE2-CG2 4.44Å; F202-V338 HydrophobicContact CG-CG1 4.44Å; F202-V338 HydrophobicContact CZ-CG2 4.13Å; F202-V343 HydrophobicContact CE1-CB 4.41Å; F202-V343 HydrophobicContact CE1-CG1 4.25Å; F202-V343 HydrophobicContact CE1-CG2 4.04Å; F202-V343 HydrophobicContact CE2-CG2 4.47Å; F202-V343 HydrophobicContact CZ-CB 4.01Å; F202-V343 HydrophobicContact CZ-CG1 4.34Å; F202-V343 HydrophobicContact CZ-CG2 3.55Å
203	P	94.8	Very high	79.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.222	C	C	.	.			trans	-69.4	154	175.9	31.4	-35	0	0	0	111.4	W205 A206 F255 V267 S323 G325	P203-W205 HydrophobicContact CB-CG 4.47Å; P203-W205 HydrophobicContact CB-CZ2 4.49Å; P203-W205 HydrophobicContact CG-CD2 4.23Å; P203-W205 HydrophobicContact CG-CH2 4.46Å; P203-W205 HydrophobicContact CG-CZ2 3.78Å; P203-W205 PolarHBondContact O-N 3.24Å; P203-W205 VanDerWaalsContact O-N 3.14Å; P203-A206 HydrophobicContact CG-CB 4.02Å; P203-A206 WeakPolarHBondContact O-CB 3.42Å; P203-A206 PolarHBondContact O-N 2.62Å; P203-A206 VanDerWaalsContact O-N 3.11Å; P203-F255 HydrophobicContact CB-CE1 4.29Å; P203-F255 HydrophobicContact CB-CE2 4.24Å; P203-F255 HydrophobicContact CB-CZ 4.04Å; P203-V267 WeakPolarHBondContact CD-O 3.34Å; P203-V267 HydrophobicContact CG-CB 4.06Å; P203-V267 HydrophobicContact CG-CG1 3.81Å; P203-S323 WeakPolarHBondContact CB-OG 3.5Å; P203-G325 VanDerWaalsContact CA-O 3.32Å; P203-G325 WeakPolarHBondContact CA-O 3.46Å
204	G	94.3	Very high	81.1	Confident	8 Å²	8	44.8 Å²	44.8	8%	0.082	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.9	-176	0	0	0	0	0	114.8	L218 S219 V324	G204-L218 PolarHBondContact O-N 3.48Å; G204-S219 VanDerWaalsContact O-CB 3.28Å; G204-S219 WeakPolarHBondContact O-CB 3.5Å; G204-S219 PolarHBondContact O-N 2.91Å; G204-S219 PolarHBondContact O-OG 3.49Å; G204-S219 VanDerWaalsContact O-OG 3.12Å; G204-V324 PolarHBondContact N-O 2.69Å
205	W	96.1	Very high	83.3	Confident	107 Å²	107	46.4 Å²	46.4	41%	0.405	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-15.9	179.5	61.5	-101.2	0	0	0	113.9	P203 R207 V267 S323	P203-W205 HydrophobicContact CB-CG 4.47Å; P203-W205 HydrophobicContact CB-CZ2 4.49Å; P203-W205 HydrophobicContact CG-CD2 4.23Å; P203-W205 HydrophobicContact CG-CH2 4.46Å; P203-W205 HydrophobicContact CG-CZ2 3.78Å; P203-W205 PolarHBondContact O-N 3.24Å; P203-W205 VanDerWaalsContact O-N 3.14Å; W205-R207 WeakPolarHBondContact O-CG 3.49Å; W205-V267 HydrophobicContact CH2-CB 3.81Å; W205-V267 HydrophobicContact CH2-CG2 3.52Å; W205-V267 HydrophobicContact CZ2-CB 3.81Å; W205-V267 HydrophobicContact CZ2-CG1 4.05Å; W205-V267 HydrophobicContact CZ2-CG2 3.72Å; W205-S323 PolarHBondContact NE1-OG 3.01Å
206	A	97.2	Very high	85.5	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	S	.	.			trans	-57.5	146.3	179.9	0	0	0	0	0	110.7	F202 P203 T217 L218 V338	F202-A206 HydrophobicContact CB-CB 4.4Å; P203-A206 HydrophobicContact CG-CB 4.02Å; P203-A206 WeakPolarHBondContact O-CB 3.42Å; P203-A206 PolarHBondContact O-N 2.62Å; P203-A206 VanDerWaalsContact O-N 3.11Å; A206-T217 CarbonylContact O-C 3.59Å; A206-T217 WeakPolarHBondContact O-CA 3.39Å; A206-L218 HydrophobicContact CB-CD1 3.9Å; A206-L218 HydrophobicContact CB-CG 4.33Å; A206-L218 PolarHBondContact O-N 2.97Å; A206-V338 HydrophobicContact CB-CG1 3.76Å
207	R	97.4	Very high	87.9	Confident	121 Å²	121	48.4 Å²	48.4	46%	0.457	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.7	-165.3	-60.2	171	65.2	143.9	-5	111.3	W205 K216 D339	W205-R207 WeakPolarHBondContact O-CG 3.49Å; R207-K216 WeakPolarHBondContact CA-O 3.23Å; R207-D339 WeakPolarHBondContact CB-OD1 3.46Å; R207-D339 PolarHBondContact N-OD1 3.14Å; R207-D339 PolarHBondContact O-N 3.02Å
208	V	97.2	Very high	90.1	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	149.2	172.2	-64.4	0	0	0	0	109.6	Q215 K216 L218 L221 I227 V338	V208-Q215 WeakPolarHBondContact O-CA 3.41Å; V208-K216 PolarHBondContact N-O 3.44Å; V208-K216 PolarHBondContact O-N 2.84Å; V208-L218 HydrophobicContact CG1-CD2 3.65Å; V208-L218 HydrophobicContact CG1-CG 4.46Å; V208-L218 HydrophobicContact CG2-CD2 4.31Å; V208-L221 HydrophobicContact CG2-CD1 3.88Å; V208-L221 HydrophobicContact CG2-CD2 4.16Å; V208-I227 HydrophobicContact CB-CB 4.47Å; V208-I227 HydrophobicContact CB-CD1 4.49Å; V208-I227 HydrophobicContact CB-CG2 4.29Å; V208-I227 HydrophobicContact CG1-CD1 4.39Å; V208-I227 HydrophobicContact CG2-CG2 3.83Å; V208-V338 HydrophobicContact CG1-CG2 4.03Å
209	T	96.7	Very high	92	Very high	14 Å²	14	41.7 Å²	41.7	9%	0.086	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	119.3	175.7	-56.7	0	0	0	0	109.7	R214 I227 L228 Y238 P306	T209-R214 CarbonylContact C-O 3.59Å; T209-R214 WeakPolarHBondContact CA-O 3.45Å; T209-I227 CarbonylContact O-C 3.6Å; T209-I227 VanDerWaalsContact O-CA 3.26Å; T209-I227 WeakPolarHBondContact O-CA 3.2Å; T209-L228 PolarHBondContact O-N 2.86Å; T209-Y238 HydrophobicContact CG2-CE1 4.48Å; T209-P306 HydrophobicContact CG2-CB 4.49Å; T209-P306 HydrophobicContact CG2-CG 4.05Å
210	V	96	Very high	93.6	Very high	13 Å²	13	43.3 Å²	43.3	8%	0.079	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-87.8	161.8	176	-65.8	0	0	0	0	111.6	G212 G213 R214 K216 L221 R226 I227 Y238	V210-G212 PolarHBondContact O-N 3.45Å; V210-G213 PolarHBondContact O-N 2.92Å; V210-R214 HydrophobicContact CG2-CB 3.88Å; V210-R214 WeakPolarHBondContact CG2-O 3.4Å; V210-R214 PolarHBondContact N-O 3.41Å; V210-K216 HydrophobicContact CG1-CB 3.89Å; V210-K216 HydrophobicContact CG1-CD 4.16Å; V210-L221 HydrophobicContact CG1-CD1 4.45Å; V210-R226 CarbonylContact C-O 3.59Å; V210-R226 VanDerWaalsContact CA-O 3.28Å; V210-R226 WeakPolarHBondContact CA-O 3.41Å; V210-I227 HydrophobicContact CG1-CG2 3.94Å; V210-Y238 VanDerWaalsContact C-CE1 3.42Å; V210-Y238 WeakPolarHBondContact O-CE1 2.98Å
211	A	92.9	Very high	94.6	Very high	46 Å²	46	43.2 Å²	43.2	38%	0.38	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	131.7	173.6	0	0	0	0	0	111	R226 Y238	A211-R226 HydrophobicContact CB-CB 4.1Å; A211-R226 PolarHBondContact N-O 2.92Å; A211-Y238 VanDerWaalsContact CA-CE1 3.5Å; A211-Y238 HydrophobicContact CB-CD1 4.02Å; A211-Y238 HydrophobicContact CB-CE1 4.4Å; A211-Y238 HydrophobicContact CB-CG 4.08Å
212	G	86.5	Confident	94.8	Very high	74 Å²	74	45 Å²	45	76%	0.763	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	9.9	-169.4	0	0	0	0	0	114.3	V210 R214	V210-G212 PolarHBondContact O-N 3.45Å; G212-R214 PolarHBondContact O-N 3.09Å; G212-R214 VanDerWaalsContact O-N 3.17Å
213	G	87.1	Confident	94.7	Very high	38 Å²	38	48.4 Å²	48.4	39%	0.392	28%	0.279	S	S	.	.	S	Bend	trans	78.2	-4.6	168.7	0	0	0	0	0	115.7	V210	V210-G213 PolarHBondContact O-N 2.92Å
214	R	92.6	Very high	94.6	Very high	185 Å²	185	50.2 Å²	50.2	70%	0.698	30%	0.297	S	S	*	.			trans	-69.8	151	175.5	-64	-176.4	-64.8	155.2	0.4	110.4	T209 V210 G212	T209-R214 CarbonylContact C-O 3.59Å; T209-R214 WeakPolarHBondContact CA-O 3.45Å; V210-R214 HydrophobicContact CG2-CB 3.88Å; V210-R214 WeakPolarHBondContact CG2-O 3.4Å; V210-R214 PolarHBondContact N-O 3.41Å; G212-R214 PolarHBondContact O-N 3.09Å; G212-R214 VanDerWaalsContact O-N 3.17Å
215	Q	95.2	Very high	94.7	Very high	94 Å²	94	51.9 Å²	51.9	44%	0.439	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	145.7	170.9	-72.7	-164	-18.7	0	0	111.8	V208	V208-Q215 WeakPolarHBondContact O-CA 3.41Å
216	K	96.8	Very high	94.8	Very high	55 Å²	55	53.5 Å²	53.5	24%	0.239	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142.2	179.3	-162.6	172.7	-169.8	-162.3	0	109.2	R207 V208 V210 S220 L221 D225	R207-K216 WeakPolarHBondContact CA-O 3.23Å; V208-K216 PolarHBondContact N-O 3.44Å; V208-K216 PolarHBondContact O-N 2.84Å; V210-K216 HydrophobicContact CG1-CB 3.89Å; V210-K216 HydrophobicContact CG1-CD 4.16Å; K216-S220 VanDerWaalsContact CE-C 3.42Å; K216-S220 WeakPolarHBondContact CE-O 3.48Å; K216-S220 WeakPolarHBondContact CG-OG 3.36Å; K216-S220 PolarHBondContact NZ-O 2.76Å; K216-L221 HydrophobicContact CD-CD1 4.26Å; K216-D225 IonicContact NZ-OD1 3.76Å; K216-D225 IonicContact NZ-OD2 3.32Å; K216-D225 PolarHBondContact NZ-OD2 2.77Å
217	T	97.7	Very high	94.8	Very high	45 Å²	45	53.5 Å²	53.5	28%	0.276	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	151.2	173.3	62.2	0	0	0	0	110.4	A206 S219 S220 L221	A206-T217 CarbonylContact O-C 3.59Å; A206-T217 WeakPolarHBondContact O-CA 3.39Å; T217-S219 PolarHBondContact O-N 3.07Å; T217-S219 PolarHBondContact OG1-OG 3.15Å; T217-S220 PolarHBondContact N-OG 3.36Å; T217-S220 PolarHBondContact O-N 3.18Å; T217-S220 VanDerWaalsContact O-N 3.12Å; T217-S220 PolarHBondContact O-OG 3.48Å; T217-S220 VanDerWaalsContact O-OG 3.07Å; T217-S220 PolarHBondContact OG1-N 2.7Å; T217-S220 PolarHBondContact OG1-OG 3.01Å; T217-L221 PolarHBondContact O-N 3.07Å
218	L	96.3	Very high	94.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.5	175.2	-71.1	-177.8	0	0	0	112.5	F202 G204 A206 V208 S220 L221 F327 P329	F202-L218 HydrophobicContact CB-CD1 3.2Å; F202-L218 HydrophobicContact CD2-CD1 4.05Å; F202-L218 HydrophobicContact CG-CD1 3.78Å; G204-L218 PolarHBondContact O-N 3.48Å; A206-L218 HydrophobicContact CB-CD1 3.9Å; A206-L218 HydrophobicContact CB-CG 4.33Å; A206-L218 PolarHBondContact O-N 2.97Å; V208-L218 HydrophobicContact CG1-CD2 3.65Å; V208-L218 HydrophobicContact CG1-CG 4.46Å; V208-L218 HydrophobicContact CG2-CD2 4.31Å; L218-S220 VanDerWaalsContact C-N 3.29Å; L218-S220 PolarHBondContact O-N 3.47Å; L218-L221 HydrophobicContact CD2-CD2 3.74Å; L218-L221 WeakPolarHBondContact O-CB 3.36Å; L218-L221 PolarHBondContact O-N 2.92Å; L218-F327 HydrophobicContact CB-CB 4.06Å; L218-F327 HydrophobicContact CB-CG 4.18Å; L218-F327 HydrophobicContact CD1-CB 4.35Å; L218-F327 WeakPolarHBondContact O-CD1 3.24Å; L218-P329 HydrophobicContact CD2-CG 4.1Å
219	S	94.9	Very high	94.7	Very high	45 Å²	45	47.9 Å²	47.9	32%	0.315	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-35.7	174.4	60.1	0	0	0	0	113.8	G204 T217 R247	G204-S219 VanDerWaalsContact O-CB 3.28Å; G204-S219 WeakPolarHBondContact O-CB 3.5Å; G204-S219 PolarHBondContact O-N 2.91Å; G204-S219 PolarHBondContact O-OG 3.49Å; G204-S219 VanDerWaalsContact O-OG 3.12Å; T217-S219 PolarHBondContact O-N 3.07Å; T217-S219 PolarHBondContact OG1-OG 3.15Å; S219-R247 PolarHBondContact O-NH2 3.25Å; S219-R247 VanDerWaalsContact O-NH2 3.14Å
220	S	95.5	Very high	94.6	Very high	58 Å²	58	48.1 Å²	48.1	41%	0.406	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-12.1	-179.6	63.6	0	0	0	0	113.4	K216 T217 L218	K216-S220 VanDerWaalsContact CE-C 3.42Å; K216-S220 WeakPolarHBondContact CE-O 3.48Å; K216-S220 WeakPolarHBondContact CG-OG 3.36Å; K216-S220 PolarHBondContact NZ-O 2.76Å; T217-S220 PolarHBondContact N-OG 3.36Å; T217-S220 PolarHBondContact O-N 3.18Å; T217-S220 VanDerWaalsContact O-N 3.12Å; T217-S220 PolarHBondContact O-OG 3.48Å; T217-S220 VanDerWaalsContact O-OG 3.07Å; T217-S220 PolarHBondContact OG1-N 2.7Å; T217-S220 PolarHBondContact OG1-OG 3.01Å; L218-S220 VanDerWaalsContact C-N 3.29Å; L218-S220 PolarHBondContact O-N 3.47Å
221	L	95.8	Very high	94.3	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	29%	0.294	C	S	.	.			trans	-60.1	137.3	178.9	-171.3	70.4	0	0	0	111.2	V208 V210 K216 T217 L218 D225 I227 V241 F244 P329	V208-L221 HydrophobicContact CG2-CD1 3.88Å; V208-L221 HydrophobicContact CG2-CD2 4.16Å; V210-L221 HydrophobicContact CG1-CD1 4.45Å; K216-L221 HydrophobicContact CD-CD1 4.26Å; T217-L221 PolarHBondContact O-N 3.07Å; L218-L221 HydrophobicContact CD2-CD2 3.74Å; L218-L221 WeakPolarHBondContact O-CB 3.36Å; L218-L221 PolarHBondContact O-N 2.92Å; L221-D225 HydrophobicContact CD1-CB 3.77Å; L221-D225 WeakPolarHBondContact CD1-OD2 3.14Å; L221-I227 HydrophobicContact CD1-CG2 3.71Å; L221-V241 HydrophobicContact CD1-CG2 4.38Å; L221-V241 HydrophobicContact CD2-CG2 4.03Å; L221-V241 HydrophobicContact CG-CG2 4.36Å; L221-F244 HydrophobicContact CB-CZ 4.02Å; L221-F244 HydrophobicContact CD2-CE1 4.37Å; L221-F244 HydrophobicContact CD2-CZ 4.04Å; L221-F244 HydrophobicContact CG-CZ 4.06Å; L221-F244 WeakPolarHBondContact O-CZ 3.23Å; L221-P329 HydrophobicContact CD2-CB 4.15Å; L221-P329 HydrophobicContact CD2-CG 4.48Å
222	A	94.3	Very high	94	Very high	41 Å²	41	50.9 Å²	50.9	34%	0.339	32%	0.322	S	S	.	.			trans	-118.8	149.6	-178.7	0	0	0	0	0	111.1	G224 D225	A222-G224 PolarHBondContact O-N 2.79Å; A222-D225 PolarHBondContact N-OD2 2.8Å; A222-D225 VanDerWaalsContact O-CB 3.29Å; A222-D225 WeakPolarHBondContact O-CB 3.43Å; A222-D225 PolarHBondContact O-N 3.13Å; A222-D225 VanDerWaalsContact O-N 3.11Å
223	S	93.8	Very high	93.9	Very high	71 Å²	71	52.7 Å²	52.7	50%	0.497	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	133.3	168.6	-51.7	0	0	0	0	109.3
224	G	93.4	Very high	93.9	Very high	37 Å²	37	52.1 Å²	52.1	38%	0.381	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.8	-21.6	-173.2	0	0	0	0	0	114.4	A222 V241	A222-G224 PolarHBondContact O-N 2.79Å; G224-V241 PolarHBondContact N-O 3.07Å
225	D	96.3	Very high	93.7	Very high	43 Å²	43	49.4 Å²	49.4	23%	0.23	31%	0.308	C	S	.	.			trans	-58.5	141.6	171.6	-73.2	-24.3	0	0	0	109.5	K216 L221 A222 V241	K216-D225 IonicContact NZ-OD1 3.76Å; K216-D225 IonicContact NZ-OD2 3.32Å; K216-D225 PolarHBondContact NZ-OD2 2.77Å; L221-D225 HydrophobicContact CD1-CB 3.77Å; L221-D225 WeakPolarHBondContact CD1-OD2 3.14Å; A222-D225 PolarHBondContact N-OD2 2.8Å; A222-D225 VanDerWaalsContact O-CB 3.29Å; A222-D225 WeakPolarHBondContact O-CB 3.43Å; A222-D225 PolarHBondContact O-N 3.13Å; A222-D225 VanDerWaalsContact O-N 3.11Å; D225-V241 WeakPolarHBondContact O-CG2 3.49Å; D225-V241 PolarHBondContact O-N 3Å
226	R	97.1	Very high	93.6	Very high	142 Å²	142	46.4 Å²	46.4	54%	0.536	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	119.3	174.7	-63.1	-177.8	66.8	176.5	2.2	109.1	V210 A211 Y238 S239 Q240	V210-R226 CarbonylContact C-O 3.59Å; V210-R226 VanDerWaalsContact CA-O 3.28Å; V210-R226 WeakPolarHBondContact CA-O 3.41Å; A211-R226 HydrophobicContact CB-CB 4.1Å; A211-R226 PolarHBondContact N-O 2.92Å; R226-Y238 PolarHBondContact NE-O 2.88Å; R226-Y238 VanDerWaalsContact NE-O 3.1Å; R226-Y238 PolarHBondContact NH2-O 3.25Å; R226-S239 CarbonylContact C-O 3.59Å; R226-S239 VanDerWaalsContact CA-O 3.3Å; R226-S239 WeakPolarHBondContact CA-O 3.25Å; R226-Q240 HydrophobicContact CG-CB 4.38Å
227	I	97.2	Very high	93.5	Very high	0 Å²	0	46 Å²	46	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	157	-175.2	64	172.6	0	0	0	111.8	V208 T209 V210 L221 A229 Y238 S239 V241 T331 M336	V208-I227 HydrophobicContact CB-CB 4.47Å; V208-I227 HydrophobicContact CB-CD1 4.49Å; V208-I227 HydrophobicContact CB-CG2 4.29Å; V208-I227 HydrophobicContact CG1-CD1 4.39Å; V208-I227 HydrophobicContact CG2-CG2 3.83Å; T209-I227 CarbonylContact O-C 3.6Å; T209-I227 VanDerWaalsContact O-CA 3.26Å; T209-I227 WeakPolarHBondContact O-CA 3.2Å; V210-I227 HydrophobicContact CG1-CG2 3.94Å; L221-I227 HydrophobicContact CD1-CG2 3.71Å; I227-A229 PolarHBondContact O-N 2.91Å; I227-Y238 CarbonylContact O-C 3.59Å; I227-Y238 VanDerWaalsContact O-CA 3.3Å; I227-Y238 WeakPolarHBondContact O-CA 3.44Å; I227-S239 PolarHBondContact N-O 3.42Å; I227-S239 PolarHBondContact O-N 3.05Å; I227-V241 HydrophobicContact CD1-CG2 3.82Å; I227-V241 HydrophobicContact CG1-CG2 3.92Å; I227-V241 HydrophobicContact CG2-CG2 4.11Å; I227-T331 HydrophobicContact CD1-CG2 3.73Å; I227-T331 HydrophobicContact CG1-CG2 4.02Å; I227-M336 HydrophobicContact CD1-CB 3.87Å; I227-M336 HydrophobicContact CD1-SD 4.06Å
228	L	96.5	Very high	93.4	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.016	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	129.1	177.8	-157.6	72	0	0	0	110.4	T209 V236 V237 Y238 M336 F337	T209-L228 PolarHBondContact O-N 2.86Å; L228-V236 HydrophobicContact CD1-CG1 3.42Å; L228-V236 VanDerWaalsContact CD1-CG1 3.42Å; L228-V236 HydrophobicContact CD2-CG1 4.23Å; L228-V236 HydrophobicContact CG-CG1 3.77Å; L228-V237 CarbonylContact C-O 3.6Å; L228-V237 WeakPolarHBondContact CA-O 3.39Å; L228-Y238 HydrophobicContact CB-CE1 4.35Å; L228-Y238 HydrophobicContact CD1-CD1 4.43Å; L228-Y238 HydrophobicContact CD1-CE1 3.97Å; L228-Y238 HydrophobicContact CD1-CE2 4.49Å; L228-M336 WeakPolarHBondContact O-CA 3.33Å; L228-F337 HydrophobicContact CB-CD2 4.21Å; L228-F337 HydrophobicContact CD2-CB 4.36Å; L228-F337 HydrophobicContact CD2-CD2 3.95Å; L228-F337 HydrophobicContact CD2-CG 4.28Å; L228-F337 HydrophobicContact CG-CD2 3.81Å; L228-F337 HydrophobicContact CG-CE2 4.4Å; L228-F337 PolarHBondContact O-N 2.92Å
229	A	96.2	Very high	93.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	170.9	-177.9	0	0	0	0	0	110.6	I227 V236 V237 A333 T335	I227-A229 PolarHBondContact O-N 2.91Å; A229-V236 CarbonylContact O-C 3.5Å; A229-V236 WeakPolarHBondContact O-CA 3.34Å; A229-V237 PolarHBondContact N-O 3.46Å; A229-V237 PolarHBondContact O-N 3.44Å; A229-A333 HydrophobicContact CB-CB 4.07Å; A229-T335 WeakPolarHBondContact CB-O 3.42Å
230	L	94.1	Very high	93.5	Very high	20 Å²	20	47.5 Å²	47.5	11%	0.105	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.2	173	-167.6	68.7	0	0	0	109.6	G234 V236 M310 T335 F337 L342	L230-G234 WeakPolarHBondContact CD1-O 3.37Å; L230-V236 HydrophobicContact CD1-CG2 4.31Å; L230-M310 HydrophobicContact CD1-CE 4.05Å; L230-M310 HydrophobicContact CD1-SD 3.42Å; L230-M310 WeakPolarHBondContact CD1-SD 3.31Å; L230-M310 HydrophobicContact CD2-SD 4.36Å; L230-T335 PolarHBondContact N-OG1 2.99Å; L230-T335 PolarHBondContact O-OG1 3.39Å; L230-F337 HydrophobicContact CB-CE2 4.48Å; L230-L342 HydrophobicContact CB-CD1 3.74Å; L230-L342 HydrophobicContact CB-CD2 4.44Å; L230-L342 HydrophobicContact CD2-CD2 3.69Å
231	S	91.2	Very high	93.5	Very high	23 Å²	23	44.8 Å²	44.8	16%	0.161	28%	0.276	C	S	.	.			trans	-69.3	162	175.1	70.5	0	0	0	0	111.1	T233 G234 Q235	S231-T233 PolarHBondContact O-N 3.17Å; S231-T233 PolarHBondContact OG-N 2.84Å; S231-T233 PolarHBondContact OG-OG1 3.47Å; S231-G234 PolarHBondContact O-N 2.77Å; S231-G234 PolarHBondContact OG-N 3.22Å; S231-Q235 PolarHBondContact N-O 3.07Å; S231-Q235 PolarHBondContact OG-N 3.2Å; S231-Q235 PolarHBondContact OG-O 2.88Å
232	G	85.1	Confident	93.4	Very high	93 Å²	93	45.5 Å²	45.5	96%	0.959	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-9.2	170.4	0	0	0	0	0	114.5
233	T	85.3	Confident	93.3	Very high	112 Å²	112	44 Å²	44	69%	0.687	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	3.8	171.8	57.4	0	0	0	0	113.1	S231	S231-T233 PolarHBondContact O-N 3.17Å; S231-T233 PolarHBondContact OG-N 2.84Å; S231-T233 PolarHBondContact OG-OG1 3.47Å
234	G	86.4	Confident	93.2	Very high	27 Å²	27	41.5 Å²	41.5	28%	0.278	25%	0.246	S	C	.	.	S	Bend	trans	78	15.6	-178.7	0	0	0	0	0	114.5	L230 S231	L230-G234 WeakPolarHBondContact CD1-O 3.37Å; S231-G234 PolarHBondContact O-N 2.77Å; S231-G234 PolarHBondContact OG-N 3.22Å
235	Q	89.6	Confident	93	Very high	127 Å²	127	40.6 Å²	40.6	59%	0.593	23%	0.233	S	C	*	.			trans	-98	138.6	179.1	-65	-176.6	-4.4	0	0	111.2	S231 V237	S231-Q235 PolarHBondContact N-O 3.07Å; S231-Q235 PolarHBondContact OG-N 3.2Å; S231-Q235 PolarHBondContact OG-O 2.88Å; Q235-V237 HydrophobicContact CB-CG1 4.34Å; Q235-V237 PolarHBondContact O-N 3.13Å
236	V	92.6	Very high	92.6	Very high	31 Å²	31	38.7 Å²	38.7	19%	0.188	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	120.1	173.2	-179.9	0	0	0	0	109.2	L228 A229 L230 M310 F337	L228-V236 HydrophobicContact CD1-CG1 3.42Å; L228-V236 VanDerWaalsContact CD1-CG1 3.42Å; L228-V236 HydrophobicContact CD2-CG1 4.23Å; L228-V236 HydrophobicContact CG-CG1 3.77Å; A229-V236 CarbonylContact O-C 3.5Å; A229-V236 WeakPolarHBondContact O-CA 3.34Å; L230-V236 HydrophobicContact CD1-CG2 4.31Å; V236-M310 HydrophobicContact CG2-CG 3.64Å; V236-M310 HydrophobicContact CG2-SD 4.15Å; V236-F337 HydrophobicContact CG1-CE2 4.36Å; V236-F337 HydrophobicContact CG2-CE2 4.46Å
237	V	94.4	Very high	92.2	Very high	48 Å²	48	35.8 Å²	35.8	29%	0.291	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	162.3	-174.1	-63.7	0	0	0	0	111.9	L228 A229 Q235	L228-V237 CarbonylContact C-O 3.6Å; L228-V237 WeakPolarHBondContact CA-O 3.39Å; A229-V237 PolarHBondContact N-O 3.46Å; A229-V237 PolarHBondContact O-N 3.44Å; Q235-V237 HydrophobicContact CB-CG1 4.34Å; Q235-V237 PolarHBondContact O-N 3.13Å
238	Y	95.8	Very high	91.7	Very high	60 Å²	60	37 Å²	37	24%	0.235	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	99.1	167.9	-73.7	-73.3	0	0	0	110.9	T209 V210 A211 R226 I227 L228	T209-Y238 HydrophobicContact CG2-CE1 4.48Å; V210-Y238 VanDerWaalsContact C-CE1 3.42Å; V210-Y238 WeakPolarHBondContact O-CE1 2.98Å; A211-Y238 VanDerWaalsContact CA-CE1 3.5Å; A211-Y238 HydrophobicContact CB-CD1 4.02Å; A211-Y238 HydrophobicContact CB-CE1 4.4Å; A211-Y238 HydrophobicContact CB-CG 4.08Å; R226-Y238 PolarHBondContact NE-O 2.88Å; R226-Y238 VanDerWaalsContact NE-O 3.1Å; R226-Y238 PolarHBondContact NH2-O 3.25Å; I227-Y238 CarbonylContact O-C 3.59Å; I227-Y238 VanDerWaalsContact O-CA 3.3Å; I227-Y238 WeakPolarHBondContact O-CA 3.44Å; L228-Y238 HydrophobicContact CB-CE1 4.35Å; L228-Y238 HydrophobicContact CD1-CD1 4.43Å; L228-Y238 HydrophobicContact CD1-CE1 3.97Å; L228-Y238 HydrophobicContact CD1-CE2 4.49Å
239	S	96.3	Very high	91.3	Very high	7 Å²	7	41.8 Å²	41.8	5%	0.049	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	140.5	-179.6	-170.8	0	0	0	0	111.9	R226 I227 E332 A333	R226-S239 CarbonylContact C-O 3.59Å; R226-S239 VanDerWaalsContact CA-O 3.3Å; R226-S239 WeakPolarHBondContact CA-O 3.25Å; I227-S239 PolarHBondContact N-O 3.42Å; I227-S239 PolarHBondContact O-N 3.05Å; S239-E332 WeakPolarHBondContact OG-CB 3.37Å; S239-E332 PolarHBondContact OG-N 3.33Å; S239-A333 WeakPolarHBondContact OG-CB 3.44Å; S239-A333 PolarHBondContact OG-N 3.47Å
240	Q	96.1	Very high	90.8	Very high	54 Å²	54	48.1 Å²	48.1	25%	0.252	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	134.2	179.4	-174.9	172.7	-4.5	0	0	111.1	R226 L242 T331 E332	R226-Q240 HydrophobicContact CG-CB 4.38Å; Q240-L242 PolarHBondContact O-N 3.35Å; Q240-T331 WeakPolarHBondContact O-CA 3.41Å; Q240-E332 PolarHBondContact O-N 2.84Å
241	V	96.4	Very high	90.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	115.1	168.1	-179.4	0	0	0	0	108.2	L221 G224 D225 I227 F244 P329	L221-V241 HydrophobicContact CD1-CG2 4.38Å; L221-V241 HydrophobicContact CD2-CG2 4.03Å; L221-V241 HydrophobicContact CG-CG2 4.36Å; G224-V241 PolarHBondContact N-O 3.07Å; D225-V241 WeakPolarHBondContact O-CG2 3.49Å; D225-V241 PolarHBondContact O-N 3Å; I227-V241 HydrophobicContact CD1-CG2 3.82Å; I227-V241 HydrophobicContact CG1-CG2 3.92Å; I227-V241 HydrophobicContact CG2-CG2 4.11Å; V241-F244 HydrophobicContact CG1-CE2 4.32Å; V241-P329 HydrophobicContact CG1-CB 4.21Å
242	L	93.4	Very high	89.6	Confident	16 Å²	16	56.1 Å²	56.1	8%	0.084	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-46	-175.8	-59.6	178.1	0	0	0	111.6	Q240 L330 E332 R363	Q240-L242 PolarHBondContact O-N 3.35Å; L242-L330 HydrophobicContact CD1-CD2 4.38Å; L242-L330 HydrophobicContact CD1-CG 4.41Å; L242-L330 PolarHBondContact N-O 2.96Å; L242-E332 HydrophobicContact CD1-CB 4.46Å; L242-E332 HydrophobicContact CD2-CB 4.36Å; L242-E332 HydrophobicContact CG-CB 4.48Å; L242-R363 HydrophobicContact CD1-CG 3.66Å
243	L	93.1	Very high	89.3	Confident	9 Å²	9	52.4 Å²	52.4	5%	0.047	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	-178.2	179.5	55.1	84.1	0	0	0	110	L245 L330 L362	L243-L245 HydrophobicContact CD1-CD2 3.85Å; L243-L330 HydrophobicContact CD1-CB 4.16Å; L243-L330 HydrophobicContact CD1-CD2 4.12Å; L243-L330 HydrophobicContact CG-CD2 4.32Å; L243-L330 PolarHBondContact O-N 3.35Å; L243-L362 HydrophobicContact CD2-CD1 4.34Å; L243-L362 HydrophobicContact CD2-CD2 3.89Å; L243-L362 HydrophobicContact CD2-CG 4.42Å
244	F	91.4	Very high	88.8	Confident	19 Å²	19	47.8 Å²	47.8	8%	0.083	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.5	171.5	-67.9	-101.4	0	0	0	109.3	L221 V241 H246 R247 F327 A328 P329	L221-F244 HydrophobicContact CB-CZ 4.02Å; L221-F244 HydrophobicContact CD2-CE1 4.37Å; L221-F244 HydrophobicContact CD2-CZ 4.04Å; L221-F244 HydrophobicContact CG-CZ 4.06Å; L221-F244 WeakPolarHBondContact O-CZ 3.23Å; V241-F244 HydrophobicContact CG1-CE2 4.32Å; F244-H246 VanDerWaalsContact C-N 3.29Å; F244-R247 HydrophobicContact CB-CB 4.07Å; F244-R247 HydrophobicContact CG-CB 4.47Å; F244-F327 HydrophobicContact CD1-CD1 4.26Å; F244-F327 HydrophobicContact CE1-CD1 4.05Å; F244-A328 CarbonylContact C-O 3.54Å; F244-A328 WeakPolarHBondContact CA-O 3.44Å; F244-P329 HydrophobicContact CD1-CB 4.08Å; F244-P329 HydrophobicContact CE1-CB 3.88Å; F244-P329 HydrophobicContact CZ-CB 4.44Å
245	L	89.3	Confident	88.9	Confident	19 Å²	19	46.5 Å²	46.5	10%	0.099	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-31.3	173.1	-59.6	-179.4	0	0	0	111.3	L243 A328 L330 F359 V424 H425 A428	L243-L245 HydrophobicContact CD1-CD2 3.85Å; L245-A328 HydrophobicContact CB-CB 4.11Å; L245-A328 PolarHBondContact N-O 2.57Å; L245-L330 HydrophobicContact CD2-CB 4.23Å; L245-L330 HydrophobicContact CD2-CD2 4.16Å; L245-L330 HydrophobicContact CG-CB 4.12Å; L245-F359 HydrophobicContact CD1-CE1 4.45Å; L245-F359 HydrophobicContact CD1-CZ 4.02Å; L245-F359 HydrophobicContact CD2-CD1 4.34Å; L245-F359 HydrophobicContact CD2-CE1 3.42Å; L245-F359 VanDerWaalsContact CD2-CE1 3.42Å; L245-F359 HydrophobicContact CD2-CZ 3.72Å; L245-V424 CarbonylContact O-C 3.56Å; L245-V424 WeakPolarHBondContact O-CA 3.42Å; L245-H425 PolarHBondContact O-N 3.41Å; L245-A428 HydrophobicContact CD2-CB 4.28Å
246	H	86.9	Confident	88.9	Confident	3 Å²	3	40.6 Å²	40.6	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	134.7	173.7	-176.7	-161.1	0	0	0	108.7	R198 C201 F244 V326 F327 A328 S422 V424	R198-H246 VanDerWaalsContact CB-CE1 3.44Å; R198-H246 WeakPolarHBondContact CB-CE1 3.49Å; R198-H246 WeakPolarHBondContact CD-CE1 3.31Å; R198-H246 WeakPolarHBondContact CD-NE2 3.45Å; C201-H246 PolarHBondContact SG-ND1 3.03Å; F244-H246 VanDerWaalsContact C-N 3.29Å; H246-V326 WeakPolarHBondContact CE1-CG2 3.37Å; H246-F327 WeakPolarHBondContact O-CA 3.3Å; H246-A328 HydrophobicContact CB-CB 4.03Å; H246-A328 PolarHBondContact O-N 3.37Å; H246-S422 PolarHBondContact NE2-OG 2.98Å; H246-V424 HydrophobicContact CB-CG2 4.46Å
247	R	88.5	Confident	89	Confident	80 Å²	80	39.2 Å²	39.2	30%	0.302	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	113.4	174.9	-172.6	175.1	-172.5	157.2	8.6	110.2	S219 F244 V326 F327 E423	S219-R247 PolarHBondContact O-NH2 3.25Å; S219-R247 VanDerWaalsContact O-NH2 3.14Å; F244-R247 HydrophobicContact CB-CB 4.07Å; F244-R247 HydrophobicContact CG-CB 4.47Å; R247-V326 WeakPolarHBondContact CA-O 3.07Å; R247-F327 HydrophobicContact CG-CD1 3.85Å; R247-F327 HydrophobicContact CG-CE1 3.67Å; R247-E423 PolarHBondContact N-O 3.38Å
248	D	87.1	Confident	89.1	Confident	26 Å²	26	37.1 Å²	37.1	14%	0.139	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	127.5	168	-176.6	-21.2	0	0	0	107.9	R198 E250 S251 G325 V326 S422	R198-D248 IonicContact NH1-OD2 3.76Å; D248-E250 PolarHBondContact OD1-N 3.01Å; D248-S251 PolarHBondContact OD1-N 3.19Å; D248-S251 VanDerWaalsContact OD2-CB 3.32Å; D248-S251 WeakPolarHBondContact OD2-CB 3.43Å; D248-G325 CarbonylContact O-C 3.59Å; D248-G325 VanDerWaalsContact O-CA 3.24Å; D248-G325 WeakPolarHBondContact O-CA 3.36Å; D248-V326 HydrophobicContact CB-CG2 3.63Å; D248-V326 PolarHBondContact N-O 3.25Å; D248-V326 PolarHBondContact O-N 3.03Å; D248-S422 WeakPolarHBondContact OD2-CB 3.19Å
249	Q	88.2	Confident	89.2	Confident	103 Å²	103	38.4 Å²	38.4	48%	0.481	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-19.4	-175.6	-47.5	-168.2	10.3	0	0	112.8	V324 F327	Q249-V324 WeakPolarHBondContact O-CG1 3.41Å; Q249-F327 HydrophobicContact CB-CZ 4.37Å; Q249-F327 HydrophobicContact CG-CZ 3.91Å
250	E	85.4	Confident	89.1	Confident	133 Å²	133	38.3 Å²	38.3	62%	0.621	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	-20.7	-167.6	-65.8	175.1	-161.3	0	0	111.8	D248 R252	D248-E250 PolarHBondContact OD1-N 3.01Å; E250-R252 PolarHBondContact O-N 3.07Å
251	S	80	Confident	89	Confident	11 Å²	11	41.8 Å²	41.8	8%	0.077	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	137.2	175.9	172.3	0	0	0	0	112	E194 D248 V324 G325	E194-S251 PolarHBondContact OE1-OG 3.27Å; E194-S251 PolarHBondContact OE2-OG 2.82Å; D248-S251 PolarHBondContact OD1-N 3.19Å; D248-S251 VanDerWaalsContact OD2-CB 3.32Å; D248-S251 WeakPolarHBondContact OD2-CB 3.43Å; S251-V324 CarbonylContact O-C 3.51Å; S251-V324 WeakPolarHBondContact O-CA 3.43Å; S251-G325 PolarHBondContact O-N 3.43Å
252	R	81.2	Confident	88.3	Confident	200 Å²	200	44.5 Å²	44.5	76%	0.755	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102	124.6	173.4	-74.5	179.9	-178.9	-163.7	1.8	108.5	E250 V324	E250-R252 PolarHBondContact O-N 3.07Å; R252-V324 HydrophobicContact CG-CG2 3.9Å
253	S	77	Confident	88.1	Confident	15 Å²	15	46.5 Å²	46.5	11%	0.105	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	162.4	179.1	-47.1	0	0	0	0	110.9	E194 F255 S323 V326	E194-S253 PolarHBondContact OE2-OG 2.76Å; E194-S253 VanDerWaalsContact OE2-OG 3.09Å; S253-F255 VanDerWaalsContact O-CD2 3.29Å; S253-F255 WeakPolarHBondContact O-CD2 3.36Å; S253-F255 VanDerWaalsContact O-CE2 3.29Å; S253-F255 WeakPolarHBondContact O-CE2 3.29Å; S253-S323 PolarHBondContact N-O 3.46Å; S253-S323 PolarHBondContact O-N 3.31Å; S253-V326 VanDerWaalsContact OG-CG1 3.26Å; S253-V326 WeakPolarHBondContact OG-CG1 3.46Å
254	V	76.3	Confident	88.2	Confident	16 Å²	16	48.1 Å²	48.1	10%	0.097	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	137.5	171.6	165.1	0	0	0	0	110	L59 L320 E322	L59-V254 HydrophobicContact CB-CB 3.52Å; L59-V254 HydrophobicContact CB-CG1 4.11Å; L59-V254 HydrophobicContact CB-CG2 3.61Å; L59-V254 HydrophobicContact CD1-CB 3.94Å; L59-V254 HydrophobicContact CD1-CG2 3.34Å; L59-V254 HydrophobicContact CG-CB 4.36Å; L59-V254 HydrophobicContact CG-CG2 4.01Å; V254-L320 HydrophobicContact CG1-CB 4.34Å; V254-L320 HydrophobicContact CG1-CD2 3.64Å; V254-L320 HydrophobicContact CG1-CG 4.43Å; V254-E322 HydrophobicContact CG2-CG 3.39Å
255	F	87.3	Confident	88.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	151.2	179.8	-60	-95.7	0	0	0	109.4	P203 S253 V267 V268 T269 L320 T321 G325 V326	P203-F255 HydrophobicContact CB-CE1 4.29Å; P203-F255 HydrophobicContact CB-CE2 4.24Å; P203-F255 HydrophobicContact CB-CZ 4.04Å; S253-F255 VanDerWaalsContact O-CD2 3.29Å; S253-F255 WeakPolarHBondContact O-CD2 3.36Å; S253-F255 VanDerWaalsContact O-CE2 3.29Å; S253-F255 WeakPolarHBondContact O-CE2 3.29Å; F255-V267 HydrophobicContact CB-CG1 3.34Å; F255-V267 HydrophobicContact CD1-CG1 4.25Å; F255-V267 HydrophobicContact CG-CG1 3.81Å; F255-V268 CarbonylContact C-O 3.57Å; F255-V268 WeakPolarHBondContact CA-O 3.46Å; F255-T269 HydrophobicContact CD1-CG2 3.88Å; F255-T269 HydrophobicContact CE1-CG2 3.75Å; F255-L320 WeakPolarHBondContact O-CA 2.98Å; F255-T321 HydrophobicContact CB-CG2 4.05Å; F255-T321 PolarHBondContact N-O 3.41Å; F255-T321 PolarHBondContact O-N 3.08Å; F255-G325 WeakPolarHBondContact CZ-O 3.01Å; F255-V326 HydrophobicContact CZ-CG1 3.98Å
256	L	89.7	Confident	88.9	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	138.4	160.4	-66.9	169.4	0	0	0	108.8	F54 L258 V267 V268 P270 A292 V318 S319 L320	F54-L256 HydrophobicContact CE2-CD2 3.7Å; F54-L256 HydrophobicContact CZ-CD2 3.52Å; L256-L258 HydrophobicContact CB-CD2 4.39Å; L256-V267 CarbonylContact O-C 3.58Å; L256-V267 VanDerWaalsContact O-CA 3.28Å; L256-V267 WeakPolarHBondContact O-CA 3.25Å; L256-V268 PolarHBondContact N-O 2.92Å; L256-V268 PolarHBondContact O-N 2.82Å; L256-P270 HydrophobicContact CD1-CB 4.12Å; L256-P270 HydrophobicContact CD1-CG 4.28Å; L256-P270 HydrophobicContact CG-CG 4.24Å; L256-A292 VanDerWaalsContact CD1-C 3.41Å; L256-A292 HydrophobicContact CD1-CB 3.95Å; L256-A292 WeakPolarHBondContact CD1-O 3.49Å; L256-V318 HydrophobicContact CD2-CG1 4.41Å; L256-S319 CarbonylContact C-O 3.47Å; L256-S319 WeakPolarHBondContact CA-O 3.47Å; L256-L320 HydrophobicContact CD2-CD2 3.56Å; L256-L320 HydrophobicContact CD2-CG 4.44Å; L256-L320 HydrophobicContact CG-CD2 4.35Å
257	S	95.7	Very high	89.4	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.014	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	104.8	172.6	175.5	0	0	0	0	107.6	R265 L266 S319	S257-R265 PolarHBondContact OG-NE 3.29Å; S257-R265 PolarHBondContact OG-NH2 3.32Å; S257-L266 WeakPolarHBondContact CA-O 3.35Å; S257-S319 WeakPolarHBondContact CB-OG 3.04Å; S257-S319 PolarHBondContact N-O 3.38Å; S257-S319 PolarHBondContact O-N 3.08Å
258	L	96.9	Very high	89.6	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.026	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	114.1	175.2	-48.3	-177.6	0	0	0	107.9	L256 R265 L266 A295 I315 V318	L256-L258 HydrophobicContact CB-CD2 4.39Å; L258-R265 CarbonylContact O-C 3.59Å; L258-R265 WeakPolarHBondContact O-CA 3.36Å; L258-L266 HydrophobicContact CB-CB 4.45Å; L258-L266 HydrophobicContact CD1-CD2 4.4Å; L258-L266 PolarHBondContact N-O 2.85Å; L258-L266 PolarHBondContact O-N 3.2Å; L258-A295 HydrophobicContact CD1-CB 3.94Å; L258-A295 HydrophobicContact CD2-CB 3.9Å; L258-I315 HydrophobicContact CD1-CD1 4.33Å; L258-V318 HydrophobicContact CD2-CB 4.25Å; L258-V318 HydrophobicContact CD2-CG1 3.77Å; L258-V318 HydrophobicContact CD2-CG2 3.83Å
259	E	97.1	Very high	89.7	Confident	86 Å²	86	47 Å²	47	40%	0.402	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.5	177	-167.9	173.1	-176.9	0	0	109.2	I315 V316 S317	E259-I315 CarbonylContact O-C 3.34Å; E259-I315 WeakPolarHBondContact O-CA 3.17Å; E259-V316 HydrophobicContact CB-CG2 4.37Å; E259-V316 HydrophobicContact CG-CG2 4.27Å; E259-V316 VanDerWaalsContact O-CG2 3.31Å; E259-V316 WeakPolarHBondContact O-CG2 3.28Å; E259-V316 PolarHBondContact O-N 2.88Å; E259-S317 PolarHBondContact N-O 2.9Å; E259-S317 PolarHBondContact O-N 3.19Å
260	A	95.2	Very high	89.4	Confident	5 Å²	5	42.5 Å²	42.5	4%	0.041	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	154.1	178.4	0	0	0	0	0	111	G262 G263 N264 V301 S313 R314	A260-G262 PolarHBondContact O-N 3.35Å; A260-G262 VanDerWaalsContact O-N 3.11Å; A260-G263 PolarHBondContact O-N 2.9Å; A260-N264 HydrophobicContact CB-CB 4.49Å; A260-N264 PolarHBondContact N-O 3.38Å; A260-V301 HydrophobicContact CB-CG2 4.15Å; A260-S313 WeakPolarHBondContact CB-OG 3.43Å; A260-R314 CarbonylContact C-O 3.57Å; A260-R314 VanDerWaalsContact CA-O 3.24Å; A260-R314 WeakPolarHBondContact CA-O 3.46Å
261	D	92	Very high	89.2	Confident	127 Å²	127	37.5 Å²	37.5	68%	0.679	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-30.5	-174.7	-162.2	30	0	0	0	113.2	G263 R314 V316	D261-G263 PolarHBondContact O-N 3.36Å; D261-G263 VanDerWaalsContact O-N 3.16Å; D261-R314 PolarHBondContact N-O 3.3Å; D261-V316 HydrophobicContact CB-CG1 3.84Å
262	G	83.7	Confident	89.7	Confident	57 Å²	57	37 Å²	37	59%	0.588	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	3.9	175.6	0	0	0	0	0	115.3	A260 N264 S313	A260-G262 PolarHBondContact O-N 3.35Å; A260-G262 VanDerWaalsContact O-N 3.11Å; G262-N264 VanDerWaalsContact C-N 3.28Å; G262-N264 PolarHBondContact O-N 3.39Å; G262-S313 PolarHBondContact N-OG 3.24Å
263	G	89	Confident	90.3	Very high	59 Å²	59	27.5 Å²	27.5	61%	0.608	17%	0.166	S	C	*	.	S	Bend	trans	82.3	-1.1	-177.3	0	0	0	0	0	114.5	A260 D261	A260-G263 PolarHBondContact O-N 2.9Å; D261-G263 PolarHBondContact O-N 3.36Å; D261-G263 VanDerWaalsContact O-N 3.16Å
264	N	95.4	Very high	91.1	Very high	42 Å²	42	26.8 Å²	26.8	23%	0.225	16%	0.161	C	C	.	.			trans	-68.3	133.1	171.3	-69	91.1	0	0	0	110.3	A260 G262 I303 D339 V341	A260-N264 HydrophobicContact CB-CB 4.49Å; A260-N264 PolarHBondContact N-O 3.38Å; G262-N264 VanDerWaalsContact C-N 3.28Å; G262-N264 PolarHBondContact O-N 3.39Å; N264-I303 HydrophobicContact CB-CD1 3.84Å; N264-D339 PolarHBondContact ND2-O 2.93Å; N264-V341 HydrophobicContact CB-CG2 4.1Å
265	R	96.8	Very high	92	Very high	106 Å²	106	27.1 Å²	27.1	40%	0.4	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	109.5	179.7	-177.5	-175.3	173.9	-157.5	-0.3	109.9	S257 L258 V267 D339	S257-R265 PolarHBondContact OG-NE 3.29Å; S257-R265 PolarHBondContact OG-NH2 3.32Å; L258-R265 CarbonylContact O-C 3.59Å; L258-R265 WeakPolarHBondContact O-CA 3.36Å; R265-V267 HydrophobicContact CG-CG2 4.3Å; R265-D339 WeakPolarHBondContact O-CB 3.36Å
266	L	97.6	Very high	92.3	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	122.4	174.7	177.9	63.3	0	0	0	109.8	F202 S257 L258 V268 V274 V338 V341 V343	F202-L266 HydrophobicContact CD1-CD1 4.49Å; F202-L266 HydrophobicContact CE1-CD1 4.12Å; S257-L266 WeakPolarHBondContact CA-O 3.35Å; L258-L266 HydrophobicContact CB-CB 4.45Å; L258-L266 HydrophobicContact CD1-CD2 4.4Å; L258-L266 PolarHBondContact N-O 2.85Å; L258-L266 PolarHBondContact O-N 3.2Å; L266-V268 HydrophobicContact CD1-CB 4.48Å; L266-V268 HydrophobicContact CD2-CG1 4.15Å; L266-V268 HydrophobicContact CG-CB 4.24Å; L266-V268 HydrophobicContact CG-CG1 4.09Å; L266-V274 HydrophobicContact CD2-CG1 4.11Å; L266-V274 HydrophobicContact CD2-CG2 3.95Å; L266-V338 HydrophobicContact CD1-CB 4.09Å; L266-V338 HydrophobicContact CD1-CG1 4.16Å; L266-V341 HydrophobicContact CB-CB 4.13Å; L266-V341 HydrophobicContact CB-CG1 4.41Å; L266-V341 HydrophobicContact CB-CG2 3.94Å; L266-V341 HydrophobicContact CD1-CB 4.44Å; L266-V341 HydrophobicContact CD2-CB 4.18Å; L266-V341 HydrophobicContact CD2-CG1 3.86Å; L266-V341 HydrophobicContact CG-CB 4.48Å; L266-V343 HydrophobicContact CD1-CG1 4.01Å; L266-V343 HydrophobicContact CD2-CG1 3.54Å; L266-V343 HydrophobicContact CG-CG1 4.44Å
267	V	96.5	Very high	92.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.5	172.9	-179.6	0	0	0	0	110	P203 W205 F255 L256 R265 T321	P203-V267 WeakPolarHBondContact CD-O 3.34Å; P203-V267 HydrophobicContact CG-CB 4.06Å; P203-V267 HydrophobicContact CG-CG1 3.81Å; W205-V267 HydrophobicContact CH2-CB 3.81Å; W205-V267 HydrophobicContact CH2-CG2 3.52Å; W205-V267 HydrophobicContact CZ2-CB 3.81Å; W205-V267 HydrophobicContact CZ2-CG1 4.05Å; W205-V267 HydrophobicContact CZ2-CG2 3.72Å; F255-V267 HydrophobicContact CB-CG1 3.34Å; F255-V267 HydrophobicContact CD1-CG1 4.25Å; F255-V267 HydrophobicContact CG-CG1 3.81Å; L256-V267 CarbonylContact O-C 3.58Å; L256-V267 VanDerWaalsContact O-CA 3.28Å; L256-V267 WeakPolarHBondContact O-CA 3.25Å; R265-V267 HydrophobicContact CG-CG2 4.3Å; V267-T321 HydrophobicContact CG1-CG2 3.61Å; V267-T321 HydrophobicContact CG2-CG2 4.36Å
268	V	94.3	Very high	92.2	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	147.7	-167.9	69.4	0	0	0	0	111.7	F202 F255 L256 L266 H272 V274 A292	F202-V268 HydrophobicContact CD1-CB 4.07Å; F202-V268 HydrophobicContact CD1-CG2 3.78Å; F202-V268 HydrophobicContact CE1-CB 3.94Å; F202-V268 HydrophobicContact CE1-CG2 3.4Å; F202-V268 VanDerWaalsContact CE1-CG2 3.4Å; F202-V268 HydrophobicContact CZ-CG2 4.01Å; F255-V268 CarbonylContact C-O 3.57Å; F255-V268 WeakPolarHBondContact CA-O 3.46Å; L256-V268 PolarHBondContact N-O 2.92Å; L256-V268 PolarHBondContact O-N 2.82Å; L266-V268 HydrophobicContact CD1-CB 4.48Å; L266-V268 HydrophobicContact CD2-CG1 4.15Å; L266-V268 HydrophobicContact CG-CB 4.24Å; L266-V268 HydrophobicContact CG-CG1 4.09Å; V268-H272 HydrophobicContact CG2-CB 3.18Å; V268-H272 VanDerWaalsContact CG2-CG 3.46Å; V268-V274 HydrophobicContact CG1-CG2 4.25Å; V268-A292 HydrophobicContact CG1-CB 3.7Å
269	T	88	Confident	91.7	Very high	16 Å²	16	38.8 Å²	38.8	10%	0.098	23%	0.228	C	C	.	.			trans	-65	153.2	176.6	55.3	0	0	0	0	112.1	G200 C201 F255 H271 H272	G200-T269 WeakPolarHBondContact CA-OG1 3.27Å; C201-T269 HydrophobicContact CB-CG2 4.07Å; C201-T269 PolarHBondContact N-OG1 2.96Å; C201-T269 WeakPolarHBondContact O-CG2 3.34Å; C201-T269 PolarHBondContact O-N 3.19Å; C201-T269 PolarHBondContact O-OG1 2.77Å; F255-T269 HydrophobicContact CD1-CG2 3.88Å; F255-T269 HydrophobicContact CE1-CG2 3.75Å; T269-H271 VanDerWaalsContact C-N 3.28Å; T269-H271 PolarHBondContact O-N 3.4Å; T269-H271 VanDerWaalsContact O-N 3.1Å; T269-H272 WeakPolarHBondContact O-CB 3.47Å; T269-H272 PolarHBondContact O-N 3.45Å; T269-H272 VanDerWaalsContact O-N 3.08Å
270	P	83.2	Confident	91.2	Very high	8 Å²	8	35.8 Å²	35.8	5%	0.052	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-34.9	-177.6	-27.8	33.9	0	0	0	116.6	L256 A292 S293	L256-P270 HydrophobicContact CD1-CB 4.12Å; L256-P270 HydrophobicContact CD1-CG 4.28Å; L256-P270 HydrophobicContact CG-CG 4.24Å; P270-A292 PolarHBondContact O-N 3.39Å; P270-A292 VanDerWaalsContact O-N 3.12Å; P270-S293 PolarHBondContact O-N 2.98Å; P270-S293 PolarHBondContact O-OG 2.95Å
271	H	81.1	Confident	90.5	Very high	28 Å²	28	36.2 Å²	36.2	13%	0.13	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	8.1	-176.3	-66.6	89.8	0	0	0	113.9	T269 F291 A347 H445	T269-H271 VanDerWaalsContact C-N 3.28Å; T269-H271 PolarHBondContact O-N 3.4Å; T269-H271 VanDerWaalsContact O-N 3.1Å; H271-F291 HydrophobicContact CB-CD1 4.31Å; H271-F291 HydrophobicContact CB-CE1 4.4Å; H271-F291 WeakPolarHBondContact O-CD1 3.25Å; H271-F291 VanDerWaalsContact O-CE1 3.27Å; H271-F291 WeakPolarHBondContact O-CE1 3.39Å; H271-A347 CarbonylContact O-C 3.52Å; H271-A347 VanDerWaalsContact O-CA 3.29Å; H271-A347 WeakPolarHBondContact O-CA 3.21Å; H271-A347 WeakPolarHBondContact O-CB 3.42Å; H271-A347 VanDerWaalsContact O-O 3.05Å; H271-H445 AromaticContact NE2-ND1 3.78Å
272	H	90.1	Very high	89.6	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	23%	0.228	C	C	.	.	S	Bend	trans	-79	141	175.1	-154.3	96.1	0	0	0	110.8	G200 F202 V268 T269 V274 A292 S344 A347	G200-H272 PolarHBondContact O-ND1 2.94Å; F202-H272 AromaticContact CE2-CE1 3.11Å; F202-H272 WeakPolarHBondContact CE2-CE1 3.44Å; F202-H272 AromaticContact CE2-ND1 3.69Å; F202-H272 AromaticContact CE2-NE2 3.37Å; F202-H272 WeakPolarHBondContact CE2-NE2 3.3Å; F202-H272 AromaticContact CZ-CD2 3.51Å; F202-H272 AromaticContact CZ-CE1 3.39Å; F202-H272 WeakPolarHBondContact CZ-CE1 3.47Å; F202-H272 AromaticContact CZ-CG 3.91Å; F202-H272 AromaticContact CZ-ND1 3.81Å; F202-H272 AromaticContact CZ-NE2 3.17Å; F202-H272 WeakPolarHBondContact CZ-NE2 3.41Å; V268-H272 HydrophobicContact CG2-CB 3.18Å; V268-H272 VanDerWaalsContact CG2-CG 3.46Å; T269-H272 WeakPolarHBondContact O-CB 3.47Å; T269-H272 PolarHBondContact O-N 3.45Å; T269-H272 VanDerWaalsContact O-N 3.08Å; H272-V274 PolarHBondContact O-N 3.28Å; H272-A292 PolarHBondContact O-N 2.99Å; H272-S344 PolarHBondContact NE2-O 3.23Å; H272-A347 HydrophobicContact CB-CB 4.3Å
273	L	92.6	Very high	89.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.2	177.8	-58.9	177.3	0	0	0	111.6	A289 V290 F291 S344 Y346 L349 E350	L273-A289 HydrophobicContact CB-CB 4.4Å; L273-A289 HydrophobicContact CD1-CB 4.35Å; L273-V290 CarbonylContact C-O 3.46Å; L273-V290 WeakPolarHBondContact CA-O 3.48Å; L273-F291 HydrophobicContact CD2-CD1 3.68Å; L273-F291 HydrophobicContact CD2-CE1 3.85Å; L273-F291 HydrophobicContact CD2-CG 4.42Å; L273-S344 PolarHBondContact O-N 3.41Å; L273-Y346 WeakPolarHBondContact CB-O 3.48Å; L273-Y346 WeakPolarHBondContact CG-O 3.36Å; L273-Y346 PolarHBondContact N-O 3.36Å; L273-L349 VanDerWaalsContact CD1-O 3.31Å; L273-L349 WeakPolarHBondContact CD1-O 3.44Å; L273-L349 WeakPolarHBondContact CD2-O 3.46Å; L273-E350 HydrophobicContact CD2-CG 4.34Å
274	V	94.8	Very high	88.2	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	143	172.8	-176	0	0	0	0	108	L266 V268 H272 L276 V290 A292 V301 V343	L266-V274 HydrophobicContact CD2-CG1 4.11Å; L266-V274 HydrophobicContact CD2-CG2 3.95Å; V268-V274 HydrophobicContact CG1-CG2 4.25Å; H272-V274 PolarHBondContact O-N 3.28Å; V274-L276 HydrophobicContact CG1-CD2 3.83Å; V274-L276 HydrophobicContact CG1-CG 4.27Å; V274-L276 PolarHBondContact O-N 3.09Å; V274-V290 PolarHBondContact N-O 3.47Å; V274-V290 PolarHBondContact O-N 3.49Å; V274-A292 HydrophobicContact CG2-CB 3.85Å; V274-V301 HydrophobicContact CG1-CG1 4.32Å; V274-V343 HydrophobicContact CG2-CG1 4.33Å
275	F	95	Very high	87.2	Confident	23 Å²	23	44.2 Å²	44.2	10%	0.101	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	111.4	176.2	-69.5	-88.6	0	0	0	109	R288 A289 T335 L342 H352	F275-R288 WeakPolarHBondContact CA-O 3.23Å; F275-A289 HydrophobicContact CD1-CB 4.15Å; F275-A289 HydrophobicContact CE1-CB 3.88Å; F275-A289 HydrophobicContact CZ-CB 4.31Å; F275-T335 HydrophobicContact CE2-CG2 3.99Å; F275-T335 HydrophobicContact CZ-CG2 3.88Å; F275-L342 HydrophobicContact CB-CD2 4.12Å; F275-L342 HydrophobicContact CB-CG 4.47Å; F275-L342 HydrophobicContact CD2-CB 4.47Å; F275-L342 HydrophobicContact CD2-CD2 3.79Å; F275-L342 HydrophobicContact CD2-CG 3.63Å; F275-L342 HydrophobicContact CE2-CD2 4.31Å; F275-L342 HydrophobicContact CE2-CG 4.12Å; F275-L342 HydrophobicContact CG-CD2 3.91Å; F275-L342 HydrophobicContact CG-CG 4.22Å; F275-H352 AromaticContact CZ-ND1 3.89Å
276	L	94.3	Very high	86.5	Confident	10 Å²	10	43.3 Å²	43.3	5%	0.052	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146.4	-177.6	-60	-177.8	0	0	0	111.9	V274 R288 V290 A295 C300 V301 I315	V274-L276 HydrophobicContact CG1-CD2 3.83Å; V274-L276 HydrophobicContact CG1-CG 4.27Å; V274-L276 PolarHBondContact O-N 3.09Å; L276-R288 PolarHBondContact N-O 3.25Å; L276-R288 PolarHBondContact O-N 3.22Å; L276-V290 HydrophobicContact CB-CG2 3.94Å; L276-V290 HydrophobicContact CD1-CG2 3.52Å; L276-V290 HydrophobicContact CG-CG2 3.79Å; L276-A295 HydrophobicContact CD1-CB 3.64Å; L276-C300 WeakPolarHBondContact CA-O 3.48Å; L276-V301 HydrophobicContact CD2-CG1 3.55Å; L276-I315 HydrophobicContact CD2-CD1 3.94Å
277	D	93.4	Very high	86	Confident	9 Å²	9	43.9 Å²	43.9	5%	0.048	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	115.9	168.6	-176.4	1.9	0	0	0	110.4	D279 C280 G281 Y287 C300	D277-D279 VanDerWaalsContact C-N 3.27Å; D277-D279 PolarHBondContact O-N 2.98Å; D277-D279 PolarHBondContact OD1-N 2.82Å; D277-C280 PolarHBondContact O-N 3.15Å; D277-G281 WeakPolarHBondContact OD2-CA 3.25Å; D277-G281 PolarHBondContact OD2-N 2.83Å; D277-Y287 HydrophobicContact CB-CD1 3.78Å; D277-Y287 HydrophobicContact CB-CD2 4.14Å; D277-Y287 HydrophobicContact CB-CE1 3.76Å; D277-Y287 HydrophobicContact CB-CE2 4.11Å; D277-Y287 HydrophobicContact CB-CG 3.98Å; D277-C300 PolarHBondContact N-O 3.05Å; D277-C300 WeakPolarHBondContact O-CB 3.41Å; D277-C300 PolarHBondContact O-N 2.9Å
278	P	88.6	Confident	85.8	Confident	87 Å²	87	50.7 Å²	50.7	57%	0.565	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-28.1	175.3	-21.2	33.6	0	0	0	114.1
279	D	88.1	Confident	85.6	Confident	148 Å²	148	51.5 Å²	51.5	79%	0.791	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-3.9	-175	-66.7	-40.8	0	0	0	112.3	D277 G281	D277-D279 VanDerWaalsContact C-N 3.27Å; D277-D279 PolarHBondContact O-N 2.98Å; D277-D279 PolarHBondContact OD1-N 2.82Å; D279-G281 PolarHBondContact O-N 2.75Å
280	C	85.9	Confident	85.7	Confident	23 Å²	23	51.4 Å²	51.4	16%	0.155	27%	0.269	C	S	.	.			trans	52.5	43.1	-179.2	-60.3	0	0	0	0	112.7	D277 C300 T312	D277-C280 PolarHBondContact O-N 3.15Å; C280-C300 HydrophobicContact CB-CB 3.77Å; C280-C300 WeakPolarHBondContact CB-SG 3.4Å; C280-C300 WeakPolarHBondContact SG-CB 3.43Å; C280-C300 CovalentContact SG-SG 2.03Å; C280-C300 PolarHBondContact SG-SG 3.21Å; C280-T312 HydrophobicContact CB-CG2 4.2Å
281	G	80.4	Confident	85.9	Confident	14 Å²	14	51.2 Å²	51.2	14%	0.144	27%	0.267	C	S	.	.			trans	-61.6	158.4	177.2	0	0	0	0	0	112.9	D277 D279 E286	D277-G281 WeakPolarHBondContact OD2-CA 3.25Å; D277-G281 PolarHBondContact OD2-N 2.83Å; D279-G281 PolarHBondContact O-N 2.75Å; G281-E286 VanDerWaalsContact C-OE2 3.29Å; G281-E286 WeakPolarHBondContact CA-OE2 3.36Å
282	H	72.6	Confident	86.3	Confident	177 Å²	177	49.9 Å²	49.9	82%	0.819	26%	0.261	S	S	*	.	S	Bend	trans	-88.5	-13.5	-175	-67.6	-62.5	0	0	0	112.9	E286	H282-E286 PolarHBondContact N-OE2 3.43Å
283	N	74.2	Confident	86	Confident	98 Å²	98	51.2 Å²	51.2	52%	0.524	27%	0.27	S	S	.	.	S	Bend	trans	-96.8	133.1	-178.5	-62.1	-49.8	0	0	0	110.7	N285 E286	N283-N285 PolarHBondContact O-N 3Å; N283-E286 HydrophobicContact CB-CG 4.26Å; N283-E286 PolarHBondContact N-OE2 3.47Å; N283-E286 PolarHBondContact ND2-OE1 3.12Å; N283-E286 WeakPolarHBondContact O-CB 3.19Å; N283-E286 PolarHBondContact O-N 2.74Å
284	A	70.1	Confident	85.6	Confident	25 Å²	25	52.9 Å²	52.9	21%	0.207	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-57.8	-23.8	176.2	0	0	0	0	0	113.6	E286 Y287 L302 M310	A284-E286 VanDerWaalsContact C-N 3.29Å; A284-E286 PolarHBondContact O-N 3.13Å; A284-Y287 PolarHBondContact O-N 3.4Å; A284-L302 HydrophobicContact CB-CD1 4.15Å; A284-M310 HydrophobicContact CB-CE 3.98Å
285	N	73.9	Confident	85.3	Confident	154 Å²	154	53.3 Å²	53.3	82%	0.824	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-74.6	-14.3	178.3	-67.9	-3.9	0	0	0	114	N283 Y287	N283-N285 PolarHBondContact O-N 3Å; N285-Y287 VanDerWaalsContact C-N 3.29Å
286	E	80.8	Confident	85.1	Confident	86 Å²	86	59.6 Å²	59.6	40%	0.402	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-78.7	-20.3	176.9	-71.6	154.8	-173.5	0	0	111.2	G281 H282 N283 A284	G281-E286 VanDerWaalsContact C-OE2 3.29Å; G281-E286 WeakPolarHBondContact CA-OE2 3.36Å; H282-E286 PolarHBondContact N-OE2 3.43Å; N283-E286 HydrophobicContact CB-CG 4.26Å; N283-E286 PolarHBondContact N-OE2 3.47Å; N283-E286 PolarHBondContact ND2-OE1 3.12Å; N283-E286 WeakPolarHBondContact O-CB 3.19Å; N283-E286 PolarHBondContact O-N 2.74Å; A284-E286 VanDerWaalsContact C-N 3.29Å; A284-E286 PolarHBondContact O-N 3.13Å
287	Y	88.2	Confident	85	Confident	14 Å²	14	63.6 Å²	63.6	6%	0.055	33%	0.328	C	S	.	.			trans	-76.9	127.7	178.6	-71.5	-101.7	0	0	0	111.8	D277 A284 N285 C300 L302 T312	D277-Y287 HydrophobicContact CB-CD1 3.78Å; D277-Y287 HydrophobicContact CB-CD2 4.14Å; D277-Y287 HydrophobicContact CB-CE1 3.76Å; D277-Y287 HydrophobicContact CB-CE2 4.11Å; D277-Y287 HydrophobicContact CB-CG 3.98Å; A284-Y287 PolarHBondContact O-N 3.4Å; N285-Y287 VanDerWaalsContact C-N 3.29Å; Y287-C300 HydrophobicContact CE1-CB 4.42Å; Y287-C300 WeakPolarHBondContact CE1-O 3.3Å; Y287-L302 HydrophobicContact CD1-CD1 4.08Å; Y287-L302 HydrophobicContact CD1-CG 3.76Å; Y287-L302 HydrophobicContact CD2-CD1 3.69Å; Y287-L302 HydrophobicContact CD2-CD2 4.01Å; Y287-L302 HydrophobicContact CD2-CG 3.81Å; Y287-L302 HydrophobicContact CE1-CD1 4.39Å; Y287-L302 HydrophobicContact CE1-CD2 4.1Å; Y287-L302 HydrophobicContact CE1-CG 3.61Å; Y287-L302 HydrophobicContact CE2-CD1 4.05Å; Y287-L302 HydrophobicContact CE2-CD2 3.47Å; Y287-L302 VanDerWaalsContact CE2-CD2 3.47Å; Y287-L302 HydrophobicContact CE2-CG 3.68Å; Y287-L302 HydrophobicContact CG-CD1 3.7Å; Y287-L302 HydrophobicContact CG-CG 3.84Å; Y287-L302 VanDerWaalsContact CZ-CD2 3.5Å; Y287-T312 WeakPolarHBondContact OH-CB 3.45Å; Y287-T312 WeakPolarHBondContact OH-CG2 3.47Å; Y287-T312 PolarHBondContact OH-OG1 3.47Å
288	R	91.1	Very high	85	Confident	144 Å²	144	64.6 Å²	64.6	54%	0.543	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.9	179.5	-63.8	-178.7	61.8	-175.4	-0.8	110.2	F275 L276 V290	F275-R288 WeakPolarHBondContact CA-O 3.23Å; L276-R288 PolarHBondContact N-O 3.25Å; L276-R288 PolarHBondContact O-N 3.22Å; R288-V290 HydrophobicContact CB-CG1 4.3Å; R288-V290 PolarHBondContact O-N 3.06Å
289	A	91.4	Very high	85.3	Confident	17 Å²	17	61.5 Å²	61.5	14%	0.14	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	114.4	169.1	0	0	0	0	0	109.2	L273 F275 H352	L273-A289 HydrophobicContact CB-CB 4.4Å; L273-A289 HydrophobicContact CD1-CB 4.35Å; F275-A289 HydrophobicContact CD1-CB 4.15Å; F275-A289 HydrophobicContact CE1-CB 3.88Å; F275-A289 HydrophobicContact CZ-CB 4.31Å; A289-H352 HydrophobicContact CB-CB 3.67Å
290	V	89.6	Confident	85.6	Confident	14 Å²	14	54.6 Å²	54.6	9%	0.085	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	158.8	178.9	-64.1	0	0	0	0	110.2	L273 V274 L276 R288 A292 E350	L273-V290 CarbonylContact C-O 3.46Å; L273-V290 WeakPolarHBondContact CA-O 3.48Å; V274-V290 PolarHBondContact N-O 3.47Å; V274-V290 PolarHBondContact O-N 3.49Å; L276-V290 HydrophobicContact CB-CG2 3.94Å; L276-V290 HydrophobicContact CD1-CG2 3.52Å; L276-V290 HydrophobicContact CG-CG2 3.79Å; R288-V290 HydrophobicContact CB-CG1 4.3Å; R288-V290 PolarHBondContact O-N 3.06Å; V290-A292 PolarHBondContact O-N 2.82Å; V290-E350 HydrophobicContact CB-CG 4.5Å
291	F	86.9	Confident	86.1	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.018	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	139.4	174.9	-67.3	-50.7	0	0	0	111.9	H271 L273 S293 R294 E350 F444 A446	H271-F291 HydrophobicContact CB-CD1 4.31Å; H271-F291 HydrophobicContact CB-CE1 4.4Å; H271-F291 WeakPolarHBondContact O-CD1 3.25Å; H271-F291 VanDerWaalsContact O-CE1 3.27Å; H271-F291 WeakPolarHBondContact O-CE1 3.39Å; L273-F291 HydrophobicContact CD2-CD1 3.68Å; L273-F291 HydrophobicContact CD2-CE1 3.85Å; L273-F291 HydrophobicContact CD2-CG 4.42Å; F291-S293 PolarHBondContact O-N 3.11Å; F291-S293 VanDerWaalsContact O-N 3.13Å; F291-R294 WeakPolarHBondContact O-CB 3.26Å; F291-R294 PolarHBondContact O-N 3.03Å; F291-E350 HydrophobicContact CD2-CB 4.24Å; F291-E350 HydrophobicContact CD2-CG 4.39Å; F291-E350 HydrophobicContact CE2-CB 3.86Å; F291-E350 HydrophobicContact CZ-CB 4.17Å; F291-F444 WeakPolarHBondContact CZ-O 3.5Å; F291-A446 WeakPolarHBondContact CD2-O 3.19Å
292	A	89.5	Confident	86.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-56.5	-29.8	179	0	0	0	0	0	113.1	L256 V268 P270 H272 V274 V290 R294 A295	L256-A292 VanDerWaalsContact CD1-C 3.41Å; L256-A292 HydrophobicContact CD1-CB 3.95Å; L256-A292 WeakPolarHBondContact CD1-O 3.49Å; V268-A292 HydrophobicContact CG1-CB 3.7Å; P270-A292 PolarHBondContact O-N 3.39Å; P270-A292 VanDerWaalsContact O-N 3.12Å; H272-A292 PolarHBondContact O-N 2.99Å; V274-A292 HydrophobicContact CG2-CB 3.85Å; V290-A292 PolarHBondContact O-N 2.82Å; A292-R294 PolarHBondContact O-N 2.57Å; A292-A295 WeakPolarHBondContact O-CB 3.14Å; A292-A295 PolarHBondContact O-N 3.46Å; A292-A295 VanDerWaalsContact O-N 3.11Å
293	S	83.7	Confident	87.8	Confident	29 Å²	29	45.5 Å²	45.5	20%	0.203	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-59.6	-23.3	174.1	57.4	0	0	0	0	114.1	P270 F291	P270-S293 PolarHBondContact O-N 2.98Å; P270-S293 PolarHBondContact O-OG 2.95Å; F291-S293 PolarHBondContact O-N 3.11Å; F291-S293 VanDerWaalsContact O-N 3.13Å
294	R	84.1	Confident	88.5	Confident	34 Å²	34	41.2 Å²	41.2	13%	0.128	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-87.8	-8.6	179.8	-66	172.1	158.9	-135.2	-25.4	112.7	E170 F291 A292 E350 A446	E170-R294 IonicContact OE1-NH2 3.99Å; E170-R294 IonicContact OE2-CZ 3.37Å; E170-R294 IonicContact OE2-NH2 2.98Å; E170-R294 PolarHBondContact OE2-NH2 3.42Å; F291-R294 WeakPolarHBondContact O-CB 3.26Å; F291-R294 PolarHBondContact O-N 3.03Å; A292-R294 PolarHBondContact O-N 2.57Å; R294-E350 WeakPolarHBondContact CD-OE2 3.2Å; R294-E350 IonicContact CZ-OE2 3.43Å; R294-E350 IonicContact NE-OE2 3.25Å; R294-E350 PolarHBondContact NE-OE2 3.43Å; R294-E350 VanDerWaalsContact NH1-CD 3.33Å; R294-E350 IonicContact NH1-OE1 3.5Å; R294-E350 PolarHBondContact NH1-OE1 3.31Å; R294-E350 IonicContact NH1-OE2 3.24Å; R294-E350 PolarHBondContact NH1-OE2 3Å; R294-A446 PolarHBondContact NE-O 3.23Å; R294-A446 PolarHBondContact NH2-O 3.1Å; R294-A446 VanDerWaalsContact NH2-O 3.14Å; R294-A446 PolarHBondContact NH2-OXT 3.34Å
295	A	90.1	Very high	89.2	Confident	9 Å²	9	42.1 Å²	42.1	7%	0.074	22%	0.217	C	C	.	.			trans	-62.9	133.2	177.2	0	0	0	0	0	111.5	L258 L276 A292 I315	L258-A295 HydrophobicContact CD1-CB 3.94Å; L258-A295 HydrophobicContact CD2-CB 3.9Å; L276-A295 HydrophobicContact CD1-CB 3.64Å; A292-A295 WeakPolarHBondContact O-CB 3.14Å; A292-A295 PolarHBondContact O-N 3.46Å; A292-A295 VanDerWaalsContact O-N 3.11Å; A295-I315 HydrophobicContact CB-CD1 4.12Å
296	R	89.6	Confident	89.4	Confident	155 Å²	155	38.3 Å²	38.3	59%	0.585	20%	0.201	S	C	*	.			trans	-122.3	152.3	178.4	-60.4	177.6	-174.3	-165.8	-0.3	110.3	G298 D299	R296-G298 PolarHBondContact O-N 3.21Å; R296-D299 PolarHBondContact N-OD2 2.79Å; R296-D299 WeakPolarHBondContact O-CB 3.43Å; R296-D299 PolarHBondContact O-N 2.81Å; R296-D299 VanDerWaalsContact O-N 3.08Å
297	V	93.2	Very high	89.3	Confident	94 Å²	94	37.6 Å²	37.6	57%	0.57	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	129.2	166.1	176.8	0	0	0	0	108.2	V318	V297-V318 HydrophobicContact CG2-CG2 4.2Å
298	G	93.2	Very high	89	Confident	30 Å²	30	38.9 Å²	38.9	31%	0.309	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	104.6	-26.7	-173.7	0	0	0	0	0	114.5	R296 I315	R296-G298 PolarHBondContact O-N 3.21Å; G298-I315 PolarHBondContact N-O 3.05Å
299	D	94.3	Very high	88.6	Confident	22 Å²	22	39 Å²	39	12%	0.118	24%	0.241	C	C	.	.			trans	-65.5	155.2	173.4	-62.8	-20	0	0	0	110.2	R296 I315	R296-D299 PolarHBondContact N-OD2 2.79Å; R296-D299 WeakPolarHBondContact O-CB 3.43Å; R296-D299 PolarHBondContact O-N 2.81Å; R296-D299 VanDerWaalsContact O-N 3.08Å; D299-I315 HydrophobicContact CB-CD1 4.3Å; D299-I315 WeakPolarHBondContact O-CB 3.34Å; D299-I315 WeakPolarHBondContact O-CG1 3.19Å; D299-I315 PolarHBondContact O-N 2.72Å
300	C	95.4	Very high	88.5	Confident	4 Å²	4	41.6 Å²	41.6	3%	0.027	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	146.3	177.6	-84.5	0	0	0	0	112.7	L276 D277 C280 Y287 T312 S313	L276-C300 WeakPolarHBondContact CA-O 3.48Å; D277-C300 PolarHBondContact N-O 3.05Å; D277-C300 WeakPolarHBondContact O-CB 3.41Å; D277-C300 PolarHBondContact O-N 2.9Å; C280-C300 HydrophobicContact CB-CB 3.77Å; C280-C300 WeakPolarHBondContact CB-SG 3.4Å; C280-C300 WeakPolarHBondContact SG-CB 3.43Å; C280-C300 CovalentContact SG-SG 2.03Å; C280-C300 PolarHBondContact SG-SG 3.21Å; Y287-C300 HydrophobicContact CE1-CB 4.42Å; Y287-C300 WeakPolarHBondContact CE1-O 3.3Å; C300-T312 HydrophobicContact CB-CG2 3.67Å; C300-T312 VanDerWaalsContact SG-CG2 3.56Å; C300-S313 CarbonylContact C-O 3.52Å; C300-S313 WeakPolarHBondContact CA-O 3.29Å
301	V	95.7	Very high	88.5	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.024	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	160	172.6	-67.8	0	0	0	0	110.5	A260 V274 L276 I303 S313 I315 V341	A260-V301 HydrophobicContact CB-CG2 4.15Å; V274-V301 HydrophobicContact CG1-CG1 4.32Å; L276-V301 HydrophobicContact CD2-CG1 3.55Å; V301-I303 HydrophobicContact CG2-CD1 3.98Å; V301-S313 WeakPolarHBondContact CG2-O 3.48Å; V301-S313 PolarHBondContact N-O 3.4Å; V301-S313 PolarHBondContact O-N 2.92Å; V301-I315 HydrophobicContact CG1-CD1 3.95Å; V301-I315 HydrophobicContact CG1-CG1 4.05Å; V301-V341 HydrophobicContact CB-CG1 3.83Å; V301-V341 HydrophobicContact CG1-CG1 4.1Å; V301-V341 HydrophobicContact CG2-CG1 4.11Å
302	L	94	Very high	88.7	Confident	7 Å²	7	48.5 Å²	48.5	4%	0.037	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.4	171.4	-72.3	171.2	0	0	0	110.9	A284 Y287 V341 L342	A284-L302 HydrophobicContact CB-CD1 4.15Å; Y287-L302 HydrophobicContact CD1-CD1 4.08Å; Y287-L302 HydrophobicContact CD1-CG 3.76Å; Y287-L302 HydrophobicContact CD2-CD1 3.69Å; Y287-L302 HydrophobicContact CD2-CD2 4.01Å; Y287-L302 HydrophobicContact CD2-CG 3.81Å; Y287-L302 HydrophobicContact CE1-CD1 4.39Å; Y287-L302 HydrophobicContact CE1-CD2 4.1Å; Y287-L302 HydrophobicContact CE1-CG 3.61Å; Y287-L302 HydrophobicContact CE2-CD1 4.05Å; Y287-L302 HydrophobicContact CE2-CD2 3.47Å; Y287-L302 VanDerWaalsContact CE2-CD2 3.47Å; Y287-L302 HydrophobicContact CE2-CG 3.68Å; Y287-L302 HydrophobicContact CG-CD1 3.7Å; Y287-L302 HydrophobicContact CG-CG 3.84Å; Y287-L302 VanDerWaalsContact CZ-CD2 3.5Å; L302-V341 CarbonylContact O-C 3.6Å; L302-V341 WeakPolarHBondContact O-CA 3.49Å; L302-L342 HydrophobicContact CB-CB 3.91Å; L302-L342 HydrophobicContact CB-CD2 4.21Å; L302-L342 HydrophobicContact CD1-CD2 3.76Å; L302-L342 PolarHBondContact O-N 3.3Å
303	I	93.7	Very high	89	Confident	11 Å²	11	49 Å²	49	6%	0.056	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.6	174	-52.2	-56	0	0	0	109	N264 V301 M310 E311 G340 V341	N264-I303 HydrophobicContact CB-CD1 3.84Å; V301-I303 HydrophobicContact CG2-CD1 3.98Å; I303-M310 CarbonylContact O-C 3.38Å; I303-M310 VanDerWaalsContact O-CA 3.29Å; I303-M310 WeakPolarHBondContact O-CA 3.16Å; I303-E311 HydrophobicContact CB-CB 4.45Å; I303-E311 PolarHBondContact N-O 3.28Å; I303-E311 PolarHBondContact O-N 3.13Å; I303-G340 CarbonylContact C-O 3.59Å; I303-G340 VanDerWaalsContact CA-O 3.24Å; I303-G340 WeakPolarHBondContact CA-O 3.36Å; I303-V341 HydrophobicContact CD1-CB 4.33Å; I303-V341 HydrophobicContact CD1-CG2 3.64Å
304	G	89.9	Confident	89.6	Confident	8 Å²	8	54.2 Å²	54.2	8%	0.082	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.5	179.5	0	0	0	0	0	111.9	G340	G304-G340 PolarHBondContact N-O 2.75Å
305	T	84.5	Confident	90.2	Very high	45 Å²	45	52.7 Å²	52.7	28%	0.276	30%	0.298	S	S	.	.			trans	-101.9	155.2	174.4	66.7	0	0	0	0	111.6	G307 G308 Q309	T305-G307 PolarHBondContact O-N 3.31Å; T305-G307 VanDerWaalsContact O-N 3.13Å; T305-G308 PolarHBondContact O-N 3.35Å; T305-Q309 PolarHBondContact N-O 3.4Å; T305-Q309 PolarHBondContact OG1-N 3.39Å; T305-Q309 PolarHBondContact OG1-O 3.08Å; T305-Q309 VanDerWaalsContact OG1-O 3.09Å
306	P	78.2	Confident	90.5	Very high	74 Å²	74	55.3 Å²	55.3	48%	0.481	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.7	174.6	-19.8	32.6	0	0	0	113.3	T209 G308	T209-P306 HydrophobicContact CG2-CB 4.49Å; T209-P306 HydrophobicContact CG2-CG 4.05Å; P306-G308 PolarHBondContact O-N 3.09Å
307	G	79.5	Confident	90.7	Very high	71 Å²	71	49.9 Å²	49.9	73%	0.732	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	0.7	174.8	0	0	0	0	0	114.3	T305 Q309	T305-G307 PolarHBondContact O-N 3.31Å; T305-G307 VanDerWaalsContact O-N 3.13Å; G307-Q309 VanDerWaalsContact C-N 3.26Å; G307-Q309 PolarHBondContact O-N 3.25Å
308	G	80.6	Confident	90.7	Very high	41 Å²	41	47.3 Å²	47.3	42%	0.423	28%	0.283	S	S	.	.	S	Bend	trans	81	2.5	179.3	0	0	0	0	0	114.4	T305 P306	T305-G308 PolarHBondContact O-N 3.35Å; P306-G308 PolarHBondContact O-N 3.09Å
309	Q	83.3	Confident	90.4	Very high	147 Å²	147	48 Å²	48	69%	0.687	28%	0.283	S	S	*	.			trans	-79.4	137	173.3	-64.4	177.4	-22.1	0	0	109.9	T305 G307	T305-Q309 PolarHBondContact N-O 3.4Å; T305-Q309 PolarHBondContact OG1-N 3.39Å; T305-Q309 PolarHBondContact OG1-O 3.08Å; T305-Q309 VanDerWaalsContact OG1-O 3.09Å; G307-Q309 VanDerWaalsContact C-N 3.26Å; G307-Q309 PolarHBondContact O-N 3.25Å
310	M	88.6	Confident	89.9	Confident	70 Å²	70	49.6 Å²	49.6	35%	0.345	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	137.8	169	-66.6	-169.5	-68.5	0	0	109.4	L230 V236 A284 I303	L230-M310 HydrophobicContact CD1-CE 4.05Å; L230-M310 HydrophobicContact CD1-SD 3.42Å; L230-M310 WeakPolarHBondContact CD1-SD 3.31Å; L230-M310 HydrophobicContact CD2-SD 4.36Å; V236-M310 HydrophobicContact CG2-CG 3.64Å; V236-M310 HydrophobicContact CG2-SD 4.15Å; A284-M310 HydrophobicContact CB-CE 3.98Å; I303-M310 CarbonylContact O-C 3.38Å; I303-M310 VanDerWaalsContact O-CA 3.29Å; I303-M310 WeakPolarHBondContact O-CA 3.16Å
311	E	90.2	Very high	89.5	Confident	122 Å²	122	51.2 Å²	51.2	57%	0.57	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	142	178.5	-178.1	176.7	176.5	0	0	109.9	I303	I303-E311 HydrophobicContact CB-CB 4.45Å; I303-E311 PolarHBondContact N-O 3.28Å; I303-E311 PolarHBondContact O-N 3.13Å
312	T	92.3	Very high	88.9	Confident	42 Å²	42	56.7 Å²	56.7	26%	0.258	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	128.9	173.5	-65.1	0	0	0	0	109.5	C280 Y287 C300	C280-T312 HydrophobicContact CB-CG2 4.2Å; Y287-T312 WeakPolarHBondContact OH-CB 3.45Å; Y287-T312 WeakPolarHBondContact OH-CG2 3.47Å; Y287-T312 PolarHBondContact OH-OG1 3.47Å; C300-T312 HydrophobicContact CB-CG2 3.67Å; C300-T312 VanDerWaalsContact SG-CG2 3.56Å
313	S	94	Very high	88.7	Confident	9 Å²	9	57.3 Å²	57.3	6%	0.063	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.7	174.7	-160.5	0	0	0	0	111.4	A260 G262 C300 V301	A260-S313 WeakPolarHBondContact CB-OG 3.43Å; G262-S313 PolarHBondContact N-OG 3.24Å; C300-S313 CarbonylContact C-O 3.52Å; C300-S313 WeakPolarHBondContact CA-O 3.29Å; V301-S313 WeakPolarHBondContact CG2-O 3.48Å; V301-S313 PolarHBondContact N-O 3.4Å; V301-S313 PolarHBondContact O-N 2.92Å
314	R	96.2	Very high	88.5	Confident	140 Å²	140	60 Å²	60	53%	0.528	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	135.4	-177.6	-176.2	175.1	-72.4	157.2	1.7	110.8	A260 D261 V316	A260-R314 CarbonylContact C-O 3.57Å; A260-R314 VanDerWaalsContact CA-O 3.24Å; A260-R314 WeakPolarHBondContact CA-O 3.46Å; D261-R314 PolarHBondContact N-O 3.3Å; R314-V316 PolarHBondContact O-N 2.57Å
315	I	97.3	Very high	88.3	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	119.5	171.9	-61	179.6	0	0	0	108.8	L258 E259 L276 A295 G298 D299 V301 V318	L258-I315 HydrophobicContact CD1-CD1 4.33Å; E259-I315 CarbonylContact O-C 3.34Å; E259-I315 WeakPolarHBondContact O-CA 3.17Å; L276-I315 HydrophobicContact CD2-CD1 3.94Å; A295-I315 HydrophobicContact CB-CD1 4.12Å; G298-I315 PolarHBondContact N-O 3.05Å; D299-I315 HydrophobicContact CB-CD1 4.3Å; D299-I315 WeakPolarHBondContact O-CB 3.34Å; D299-I315 WeakPolarHBondContact O-CG1 3.19Å; D299-I315 PolarHBondContact O-N 2.72Å; V301-I315 HydrophobicContact CG1-CD1 3.95Å; V301-I315 HydrophobicContact CG1-CG1 4.05Å; I315-V318 HydrophobicContact CG2-CG2 3.67Å
316	V	97.3	Very high	88.5	Confident	65 Å²	65	57.6 Å²	57.6	39%	0.394	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-23.2	178.3	-64.8	0	0	0	0	112.2	E259 D261 R314	E259-V316 HydrophobicContact CB-CG2 4.37Å; E259-V316 HydrophobicContact CG-CG2 4.27Å; E259-V316 VanDerWaalsContact O-CG2 3.31Å; E259-V316 WeakPolarHBondContact O-CG2 3.28Å; E259-V316 PolarHBondContact O-N 2.88Å; D261-V316 HydrophobicContact CB-CG1 3.84Å; R314-V316 PolarHBondContact O-N 2.57Å
317	S	94.2	Very high	89.3	Confident	40 Å²	40	54.1 Å²	54.1	28%	0.28	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	142.4	-179.9	-179.7	0	0	0	0	112.2	E259	E259-S317 PolarHBondContact N-O 2.9Å; E259-S317 PolarHBondContact O-N 3.19Å
318	V	91.9	Very high	89.9	Confident	40 Å²	40	51 Å²	51	24%	0.242	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	119.8	172.9	-179.5	0	0	0	0	107.8	L256 L258 V297 I315	L256-V318 HydrophobicContact CD2-CG1 4.41Å; L258-V318 HydrophobicContact CD2-CB 4.25Å; L258-V318 HydrophobicContact CD2-CG1 3.77Å; L258-V318 HydrophobicContact CD2-CG2 3.83Å; V297-V318 HydrophobicContact CG2-CG2 4.2Å; I315-V318 HydrophobicContact CG2-CG2 3.67Å
319	S	88.1	Confident	90.6	Very high	46 Å²	46	49 Å²	49	32%	0.322	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	166.6	-177	55.7	0	0	0	0	111.7	L256 S257	L256-S319 CarbonylContact C-O 3.47Å; L256-S319 WeakPolarHBondContact CA-O 3.47Å; S257-S319 WeakPolarHBondContact CB-OG 3.04Å; S257-S319 PolarHBondContact N-O 3.38Å; S257-S319 PolarHBondContact O-N 3.08Å
320	L	83.6	Confident	91.1	Very high	54 Å²	54	42 Å²	42	28%	0.283	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	142.1	172.9	-68.8	169.6	0	0	0	110.7	F54 T58 V254 F255 L256	F54-L320 HydrophobicContact CB-CD1 4.05Å; F54-L320 HydrophobicContact CD1-CD1 3.35Å; F54-L320 HydrophobicContact CD1-CG 3.72Å; F54-L320 HydrophobicContact CD2-CD1 4.08Å; F54-L320 HydrophobicContact CD2-CD2 4.46Å; F54-L320 HydrophobicContact CD2-CG 4.44Å; F54-L320 HydrophobicContact CE1-CD1 3.75Å; F54-L320 HydrophobicContact CE1-CD2 4.25Å; F54-L320 HydrophobicContact CE1-CG 3.53Å; F54-L320 HydrophobicContact CE2-CD1 4.42Å; F54-L320 HydrophobicContact CE2-CD2 4.15Å; F54-L320 HydrophobicContact CE2-CG 4.28Å; F54-L320 HydrophobicContact CG-CD1 3.54Å; F54-L320 HydrophobicContact CG-CG 4.19Å; F54-L320 HydrophobicContact CZ-CD1 4.27Å; F54-L320 HydrophobicContact CZ-CD2 4.04Å; F54-L320 HydrophobicContact CZ-CG 3.84Å; T58-L320 HydrophobicContact CG2-CD1 4.43Å; V254-L320 HydrophobicContact CG1-CB 4.34Å; V254-L320 HydrophobicContact CG1-CD2 3.64Å; V254-L320 HydrophobicContact CG1-CG 4.43Å; F255-L320 WeakPolarHBondContact O-CA 2.98Å; L256-L320 HydrophobicContact CD2-CD2 3.56Å; L256-L320 HydrophobicContact CD2-CG 4.44Å; L256-L320 HydrophobicContact CG-CD2 4.35Å
321	T	85.6	Confident	91.5	Very high	39 Å²	39	38.7 Å²	38.7	24%	0.239	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141.7	172.8	-170.6	0	0	0	0	110.4	F255 V267	F255-T321 HydrophobicContact CB-CG2 4.05Å; F255-T321 PolarHBondContact N-O 3.41Å; F255-T321 PolarHBondContact O-N 3.08Å; V267-T321 HydrophobicContact CG1-CG2 3.61Å; V267-T321 HydrophobicContact CG2-CG2 4.36Å
322	E	84.8	Confident	91.7	Very high	118 Å²	118	37.4 Å²	37.4	55%	0.551	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	140.4	168.3	-76.4	-176.2	178.7	0	0	109.5	R64 V254	R64-E322 IonicContact NH2-OE1 3.42Å; R64-E322 PolarHBondContact NH2-OE1 3.3Å; V254-E322 HydrophobicContact CG2-CG 3.39Å
323	S	89.7	Confident	91.8	Very high	20 Å²	20	36.4 Å²	36.4	14%	0.14	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	163.1	175.9	-173.6	0	0	0	0	111.6	P203 W205 S253	P203-S323 WeakPolarHBondContact CB-OG 3.5Å; W205-S323 PolarHBondContact NE1-OG 3.01Å; S253-S323 PolarHBondContact N-O 3.46Å; S253-S323 PolarHBondContact O-N 3.31Å
324	V	88.6	Confident	91.8	Very high	67 Å²	67	36 Å²	36	41%	0.406	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	143.9	177.9	-178.5	0	0	0	0	110.7	G204 Q249 S251 R252	G204-V324 PolarHBondContact N-O 2.69Å; Q249-V324 WeakPolarHBondContact O-CG1 3.41Å; S251-V324 CarbonylContact O-C 3.51Å; S251-V324 WeakPolarHBondContact O-CA 3.43Å; R252-V324 HydrophobicContact CG-CG2 3.9Å
325	G	87.1	Confident	91.8	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.7	139.4	178	0	0	0	0	0	112.1	P203 D248 S251 F255	P203-G325 VanDerWaalsContact CA-O 3.32Å; P203-G325 WeakPolarHBondContact CA-O 3.46Å; D248-G325 CarbonylContact O-C 3.59Å; D248-G325 VanDerWaalsContact O-CA 3.24Å; D248-G325 WeakPolarHBondContact O-CA 3.36Å; S251-G325 PolarHBondContact O-N 3.43Å; F255-G325 WeakPolarHBondContact CZ-O 3.01Å
326	V	88.7	Confident	91.7	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	118.1	175.6	-74.4	0	0	0	0	109.1	C201 F202 H246 R247 D248 S253 F255	C201-V326 HydrophobicContact CB-CB 3.8Å; C201-V326 HydrophobicContact CB-CG1 4.08Å; F202-V326 WeakPolarHBondContact O-CA 3.18Å; H246-V326 WeakPolarHBondContact CE1-CG2 3.37Å; R247-V326 WeakPolarHBondContact CA-O 3.07Å; D248-V326 HydrophobicContact CB-CG2 3.63Å; D248-V326 PolarHBondContact N-O 3.25Å; D248-V326 PolarHBondContact O-N 3.03Å; S253-V326 VanDerWaalsContact OG-CG1 3.26Å; S253-V326 WeakPolarHBondContact OG-CG1 3.46Å; F255-V326 HydrophobicContact CZ-CG1 3.98Å
327	F	93.1	Very high	91.7	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.1	-176.3	-64.7	-100.1	0	0	0	109.6	F202 L218 F244 H246 R247 Q249	F202-F327 WeakPolarHBondContact CD2-O 3.3Å; F202-F327 PolarHBondContact N-O 2.95Å; F202-F327 PolarHBondContact O-N 2.66Å; L218-F327 HydrophobicContact CB-CB 4.06Å; L218-F327 HydrophobicContact CB-CG 4.18Å; L218-F327 HydrophobicContact CD1-CB 4.35Å; L218-F327 WeakPolarHBondContact O-CD1 3.24Å; F244-F327 HydrophobicContact CD1-CD1 4.26Å; F244-F327 HydrophobicContact CE1-CD1 4.05Å; H246-F327 WeakPolarHBondContact O-CA 3.3Å; R247-F327 HydrophobicContact CG-CD1 3.85Å; R247-F327 HydrophobicContact CG-CE1 3.67Å; Q249-F327 HydrophobicContact CB-CZ 4.37Å; Q249-F327 HydrophobicContact CG-CZ 3.91Å
328	A	93.3	Very high	91.9	Very high	5 Å²	5	24.7 Å²	24.7	4%	0.041	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	82	174.1	0	0	0	0	0	109.6	F244 L245 H246	F244-A328 CarbonylContact C-O 3.54Å; F244-A328 WeakPolarHBondContact CA-O 3.44Å; L245-A328 HydrophobicContact CB-CB 4.11Å; L245-A328 PolarHBondContact N-O 2.57Å; H246-A328 HydrophobicContact CB-CB 4.03Å; H246-A328 PolarHBondContact O-N 3.37Å
329	P	95.1	Very high	92.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	136.9	178.1	30.6	-36	0	0	0	111.4	L218 L221 V241 F244 M336 S345	L218-P329 HydrophobicContact CD2-CG 4.1Å; L221-P329 HydrophobicContact CD2-CB 4.15Å; L221-P329 HydrophobicContact CD2-CG 4.48Å; V241-P329 HydrophobicContact CG1-CB 4.21Å; F244-P329 HydrophobicContact CD1-CB 4.08Å; F244-P329 HydrophobicContact CE1-CB 3.88Å; F244-P329 HydrophobicContact CZ-CB 4.44Å; P329-M336 HydrophobicContact CG-CE 3.58Å; P329-M336 HydrophobicContact CG-SD 3.47Å; P329-M336 WeakPolarHBondContact CG-SD 3.29Å; P329-S345 WeakPolarHBondContact O-CB 3.42Å; P329-S345 PolarHBondContact O-OG 3.43Å
330	L	94.6	Very high	92.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	117.1	172.4	178.5	66.2	0	0	0	109.7	L242 L243 L245 Y346 F359 L362	L242-L330 HydrophobicContact CD1-CD2 4.38Å; L242-L330 HydrophobicContact CD1-CG 4.41Å; L242-L330 PolarHBondContact N-O 2.96Å; L243-L330 HydrophobicContact CD1-CB 4.16Å; L243-L330 HydrophobicContact CD1-CD2 4.12Å; L243-L330 HydrophobicContact CG-CD2 4.32Å; L243-L330 PolarHBondContact O-N 3.35Å; L245-L330 HydrophobicContact CD2-CB 4.23Å; L245-L330 HydrophobicContact CD2-CD2 4.16Å; L245-L330 HydrophobicContact CG-CB 4.12Å; L330-Y346 HydrophobicContact CD1-CD1 4.45Å; L330-Y346 HydrophobicContact CD1-CE1 3.49Å; L330-Y346 VanDerWaalsContact CD1-CE1 3.49Å; L330-F359 HydrophobicContact CD2-CD1 3.91Å; L330-F359 HydrophobicContact CD2-CE1 4.42Å; L330-L362 HydrophobicContact CD2-CD2 3.81Å
331	T	95.7	Very high	93.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	160.9	173.7	69.2	0	0	0	0	111.6	I227 Q240 A333 G334 T335 M336 S345	I227-T331 HydrophobicContact CD1-CG2 3.73Å; I227-T331 HydrophobicContact CG1-CG2 4.02Å; Q240-T331 WeakPolarHBondContact O-CA 3.41Å; T331-A333 VanDerWaalsContact C-N 3.28Å; T331-A333 PolarHBondContact O-N 3.19Å; T331-G334 PolarHBondContact O-N 3.19Å; T331-G334 PolarHBondContact OG1-N 3.3Å; T331-T335 PolarHBondContact OG1-N 3.33Å; T331-T335 PolarHBondContact OG1-O 2.94Å; T331-M336 HydrophobicContact CG2-CB 4.16Å; T331-S345 PolarHBondContact N-OG 3.04Å; T331-S345 PolarHBondContact OG1-OG 2.82Å
332	E	94.4	Very high	93.6	Very high	95 Å²	95	18.2 Å²	18.2	44%	0.444	10%	0.102	S	C	.	.	S	Bend	trans	-63.9	-35.2	173.2	-175.2	174.4	-154.8	0	0	112.4	S239 Q240 L242 G334	S239-E332 WeakPolarHBondContact OG-CB 3.37Å; S239-E332 PolarHBondContact OG-N 3.33Å; Q240-E332 PolarHBondContact O-N 2.84Å; L242-E332 HydrophobicContact CD1-CB 4.46Å; L242-E332 HydrophobicContact CD2-CB 4.36Å; L242-E332 HydrophobicContact CG-CB 4.48Å; E332-G334 VanDerWaalsContact C-N 3.31Å
333	A	94.2	Very high	94.2	Very high	20 Å²	20	12.6 Å²	12.6	17%	0.165	8%	0.076	C	C	.	.	S	Bend	trans	-75.3	-17.7	176.8	0	0	0	0	0	113	A229 S239 T331 T335 H356	A229-A333 HydrophobicContact CB-CB 4.07Å; S239-A333 WeakPolarHBondContact OG-CB 3.44Å; S239-A333 PolarHBondContact OG-N 3.47Å; T331-A333 VanDerWaalsContact C-N 3.28Å; T331-A333 PolarHBondContact O-N 3.19Å; A333-T335 PolarHBondContact O-N 2.98Å; A333-H356 PolarHBondContact O-CE1 3.44Å
334	G	94.1	Very high	94.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	75.6	-1.7	-175.3	0	0	0	0	0	114.7	T331 E332 S344 S345 H352	T331-G334 PolarHBondContact O-N 3.19Å; T331-G334 PolarHBondContact OG1-N 3.3Å; E332-G334 VanDerWaalsContact C-N 3.31Å; G334-S344 CarbonylContact O-C 3.45Å; G334-S344 PolarHBondContact O-OG 3.35Å; G334-S345 PolarHBondContact O-N 2.91Å; G334-H352 PolarHBondContact O-CE1 3.37Å; G334-H352 VanDerWaalsContact O-CE1 3.29Å
335	T	96.2	Very high	94.7	Very high	7 Å²	7	8.6 Å²	8.6	4%	0.043	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	166	176.1	68.8	0	0	0	0	110.2	A229 L230 F275 T331 A333 V343	A229-T335 WeakPolarHBondContact CB-O 3.42Å; L230-T335 PolarHBondContact N-OG1 2.99Å; L230-T335 PolarHBondContact O-OG1 3.39Å; F275-T335 HydrophobicContact CE2-CG2 3.99Å; F275-T335 HydrophobicContact CZ-CG2 3.88Å; T331-T335 PolarHBondContact OG1-N 3.33Å; T331-T335 PolarHBondContact OG1-O 2.94Å; A333-T335 PolarHBondContact O-N 2.98Å; T335-V343 WeakPolarHBondContact CA-O 3.32Å
336	M	96.6	Very high	94.9	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	164.4	171.6	57.5	179.2	178.8	0	0	111.1	F202 I227 L228 P329 T331 V338 V343	F202-M336 HydrophobicContact CD2-CE 3.74Å; F202-M336 HydrophobicContact CE2-CE 3.03Å; F202-M336 HydrophobicContact CZ-CE 3.56Å; I227-M336 HydrophobicContact CD1-CB 3.87Å; I227-M336 HydrophobicContact CD1-SD 4.06Å; L228-M336 WeakPolarHBondContact O-CA 3.33Å; P329-M336 HydrophobicContact CG-CE 3.58Å; P329-M336 HydrophobicContact CG-SD 3.47Å; P329-M336 WeakPolarHBondContact CG-SD 3.29Å; T331-M336 HydrophobicContact CG2-CB 4.16Å; M336-V338 HydrophobicContact CE-CG2 3.61Å; M336-V338 HydrophobicContact CG-CG2 4.03Å; M336-V338 HydrophobicContact SD-CG2 3.86Å; M336-V343 HydrophobicContact CE-CG2 3.87Å; M336-V343 HydrophobicContact CG-CG2 3.67Å; M336-V343 PolarHBondContact N-O 3.4Å; M336-V343 WeakPolarHBondContact O-CG2 3.16Å; M336-V343 PolarHBondContact O-N 2.93Å
337	F	96.9	Very high	94.5	Very high	3 Å²	3	9.1 Å²	9.1	1%	0.013	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	117.1	169.2	-67.9	-86.2	0	0	0	110.7	L228 L230 V236 G340 V341 L342	L228-F337 HydrophobicContact CB-CD2 4.21Å; L228-F337 HydrophobicContact CD2-CB 4.36Å; L228-F337 HydrophobicContact CD2-CD2 3.95Å; L228-F337 HydrophobicContact CD2-CG 4.28Å; L228-F337 HydrophobicContact CG-CD2 3.81Å; L228-F337 HydrophobicContact CG-CE2 4.4Å; L228-F337 PolarHBondContact O-N 2.92Å; L230-F337 HydrophobicContact CB-CE2 4.48Å; V236-F337 HydrophobicContact CG1-CE2 4.36Å; V236-F337 HydrophobicContact CG2-CE2 4.46Å; F337-G340 WeakPolarHBondContact CD1-O 3.45Å; F337-V341 CarbonylContact C-O 3.55Å; F337-V341 VanDerWaalsContact CA-O 3.31Å; F337-V341 WeakPolarHBondContact CA-O 3.25Å; F337-L342 HydrophobicContact CD1-CB 3.98Å; F337-L342 HydrophobicContact CD1-CD1 4.31Å; F337-L342 HydrophobicContact CD2-CD1 4.4Å; F337-L342 HydrophobicContact CE1-CB 3.59Å; F337-L342 HydrophobicContact CE1-CD1 3.89Å; F337-L342 HydrophobicContact CE1-CG 4.28Å; F337-L342 HydrophobicContact CE2-CD1 3.99Å; F337-L342 HydrophobicContact CZ-CB 4.25Å; F337-L342 HydrophobicContact CZ-CD1 3.73Å; F337-L342 HydrophobicContact CZ-CG 4.46Å
338	V	97.4	Very high	93.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124.9	175.9	-179.3	0	0	0	0	108.7	F202 A206 V208 L266 M336 G340 V341 V343	F202-V338 HydrophobicContact CD1-CB 4.35Å; F202-V338 HydrophobicContact CD1-CG1 3.89Å; F202-V338 HydrophobicContact CD1-CG2 4.27Å; F202-V338 HydrophobicContact CE1-CB 4.19Å; F202-V338 HydrophobicContact CE1-CG1 4.23Å; F202-V338 HydrophobicContact CE1-CG2 4.03Å; F202-V338 HydrophobicContact CE2-CG2 4.44Å; F202-V338 HydrophobicContact CG-CG1 4.44Å; F202-V338 HydrophobicContact CZ-CG2 4.13Å; A206-V338 HydrophobicContact CB-CG1 3.76Å; V208-V338 HydrophobicContact CG1-CG2 4.03Å; L266-V338 HydrophobicContact CD1-CB 4.09Å; L266-V338 HydrophobicContact CD1-CG1 4.16Å; M336-V338 HydrophobicContact CE-CG2 3.61Å; M336-V338 HydrophobicContact CG-CG2 4.03Å; M336-V338 HydrophobicContact SD-CG2 3.86Å; V338-G340 PolarHBondContact O-N 2.84Å; V338-V341 PolarHBondContact N-O 2.96Å; V338-V341 PolarHBondContact O-N 3.3Å; V338-V343 HydrophobicContact CB-CG2 4.18Å; V338-V343 HydrophobicContact CG2-CG2 3.69Å
339	D	96.4	Very high	92.5	Very high	23 Å²	23	12 Å²	12	12%	0.123	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	30.6	-172.3	-59	-46.4	0	0	0	112.8	R207 N264 R265 V341	R207-D339 WeakPolarHBondContact CB-OD1 3.46Å; R207-D339 PolarHBondContact N-OD1 3.14Å; R207-D339 PolarHBondContact O-N 3.02Å; N264-D339 PolarHBondContact ND2-O 2.93Å; R265-D339 WeakPolarHBondContact O-CB 3.36Å; D339-V341 VanDerWaalsContact C-N 3.35Å
340	G	94.9	Very high	91.6	Very high	16 Å²	16	13.4 Å²	13.4	17%	0.165	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	-10.1	-178.1	0	0	0	0	0	115	I303 G304 F337 V338	I303-G340 CarbonylContact C-O 3.59Å; I303-G340 VanDerWaalsContact CA-O 3.24Å; I303-G340 WeakPolarHBondContact CA-O 3.36Å; G304-G340 PolarHBondContact N-O 2.75Å; F337-G340 WeakPolarHBondContact CD1-O 3.45Å; V338-G340 PolarHBondContact O-N 2.84Å
341	V	96.9	Very high	91.1	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.018	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	136.1	-176.1	-173.2	0	0	0	0	111.6	N264 L266 V301 L302 I303 F337 V338 D339 V343	N264-V341 HydrophobicContact CB-CG2 4.1Å; L266-V341 HydrophobicContact CB-CB 4.13Å; L266-V341 HydrophobicContact CB-CG1 4.41Å; L266-V341 HydrophobicContact CB-CG2 3.94Å; L266-V341 HydrophobicContact CD1-CB 4.44Å; L266-V341 HydrophobicContact CD2-CB 4.18Å; L266-V341 HydrophobicContact CD2-CG1 3.86Å; L266-V341 HydrophobicContact CG-CB 4.48Å; V301-V341 HydrophobicContact CB-CG1 3.83Å; V301-V341 HydrophobicContact CG1-CG1 4.1Å; V301-V341 HydrophobicContact CG2-CG1 4.11Å; L302-V341 CarbonylContact O-C 3.6Å; L302-V341 WeakPolarHBondContact O-CA 3.49Å; I303-V341 HydrophobicContact CD1-CB 4.33Å; I303-V341 HydrophobicContact CD1-CG2 3.64Å; F337-V341 CarbonylContact C-O 3.55Å; F337-V341 VanDerWaalsContact CA-O 3.31Å; F337-V341 WeakPolarHBondContact CA-O 3.25Å; V338-V341 PolarHBondContact N-O 2.96Å; V338-V341 PolarHBondContact O-N 3.3Å; D339-V341 VanDerWaalsContact C-N 3.35Å; V341-V343 PolarHBondContact O-N 2.88Å
342	L	96.6	Very high	90.7	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	126.8	177.5	-174.2	66.6	0	0	0	111.4	L230 F275 L302 F337	L230-L342 HydrophobicContact CB-CD1 3.74Å; L230-L342 HydrophobicContact CB-CD2 4.44Å; L230-L342 HydrophobicContact CD2-CD2 3.69Å; F275-L342 HydrophobicContact CB-CD2 4.12Å; F275-L342 HydrophobicContact CB-CG 4.47Å; F275-L342 HydrophobicContact CD2-CB 4.47Å; F275-L342 HydrophobicContact CD2-CD2 3.79Å; F275-L342 HydrophobicContact CD2-CG 3.63Å; F275-L342 HydrophobicContact CE2-CD2 4.31Å; F275-L342 HydrophobicContact CE2-CG 4.12Å; F275-L342 HydrophobicContact CG-CD2 3.91Å; F275-L342 HydrophobicContact CG-CG 4.22Å; L302-L342 HydrophobicContact CB-CB 3.91Å; L302-L342 HydrophobicContact CB-CD2 4.21Å; L302-L342 HydrophobicContact CD1-CD2 3.76Å; L302-L342 PolarHBondContact O-N 3.3Å; F337-L342 HydrophobicContact CD1-CB 3.98Å; F337-L342 HydrophobicContact CD1-CD1 4.31Å; F337-L342 HydrophobicContact CD2-CD1 4.4Å; F337-L342 HydrophobicContact CE1-CB 3.59Å; F337-L342 HydrophobicContact CE1-CD1 3.89Å; F337-L342 HydrophobicContact CE1-CG 4.28Å; F337-L342 HydrophobicContact CE2-CD1 3.99Å; F337-L342 HydrophobicContact CZ-CB 4.25Å; F337-L342 HydrophobicContact CZ-CD1 3.73Å; F337-L342 HydrophobicContact CZ-CG 4.46Å
343	V	96.8	Very high	90.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159.4	177.9	-63.3	0	0	0	0	110.5	F202 L266 V274 T335 M336 V338 V341	F202-V343 HydrophobicContact CE1-CB 4.41Å; F202-V343 HydrophobicContact CE1-CG1 4.25Å; F202-V343 HydrophobicContact CE1-CG2 4.04Å; F202-V343 HydrophobicContact CE2-CG2 4.47Å; F202-V343 HydrophobicContact CZ-CB 4.01Å; F202-V343 HydrophobicContact CZ-CG1 4.34Å; F202-V343 HydrophobicContact CZ-CG2 3.55Å; L266-V343 HydrophobicContact CD1-CG1 4.01Å; L266-V343 HydrophobicContact CD2-CG1 3.54Å; L266-V343 HydrophobicContact CG-CG1 4.44Å; V274-V343 HydrophobicContact CG2-CG1 4.33Å; T335-V343 WeakPolarHBondContact CA-O 3.32Å; M336-V343 HydrophobicContact CE-CG2 3.87Å; M336-V343 HydrophobicContact CG-CG2 3.67Å; M336-V343 PolarHBondContact N-O 3.4Å; M336-V343 WeakPolarHBondContact O-CG2 3.16Å; M336-V343 PolarHBondContact O-N 2.93Å; V338-V343 HydrophobicContact CB-CG2 4.18Å; V338-V343 HydrophobicContact CG2-CG2 3.69Å; V341-V343 PolarHBondContact O-N 2.88Å
344	S	95.9	Very high	90.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	166.8	171	-166	0	0	0	0	111.1	H272 L273 G334 Y346 H352	H272-S344 PolarHBondContact NE2-O 3.23Å; L273-S344 PolarHBondContact O-N 3.41Å; G334-S344 CarbonylContact O-C 3.45Å; G334-S344 PolarHBondContact O-OG 3.35Å; S344-Y346 VanDerWaalsContact C-N 3.28Å; S344-Y346 WeakPolarHBondContact OG-CD2 3.18Å; S344-Y346 PolarHBondContact OG-N 3.23Å; S344-Y346 VanDerWaalsContact OG-N 3.15Å; S344-H352 PolarHBondContact OG-ND1 2.84Å
345	S	93.6	Very high	89.8	Confident	2 Å²	2	20.5 Å²	20.5	1%	0.014	11%	0.114	C	C	.	.	S	Bend	trans	-83.4	-4.7	160.1	-67.4	0	0	0	0	112.8	P329 T331 G334	P329-S345 WeakPolarHBondContact O-CB 3.42Å; P329-S345 PolarHBondContact O-OG 3.43Å; T331-S345 PolarHBondContact N-OG 3.04Å; T331-S345 PolarHBondContact OG1-OG 2.82Å; G334-S345 PolarHBondContact O-N 2.91Å
346	Y	90.9	Very high	89.6	Confident	4 Å²	4	21.9 Å²	21.9	2%	0.016	12%	0.12	C	C	.	.			trans	-113.6	152.4	-171.5	-47.2	-60.4	0	0	0	112.1	L273 L330 S344 H352 A355 H356 F359	L273-Y346 WeakPolarHBondContact CB-O 3.48Å; L273-Y346 WeakPolarHBondContact CG-O 3.36Å; L273-Y346 PolarHBondContact N-O 3.36Å; L330-Y346 HydrophobicContact CD1-CD1 4.45Å; L330-Y346 HydrophobicContact CD1-CE1 3.49Å; L330-Y346 VanDerWaalsContact CD1-CE1 3.49Å; S344-Y346 VanDerWaalsContact C-N 3.28Å; S344-Y346 WeakPolarHBondContact OG-CD2 3.18Å; S344-Y346 PolarHBondContact OG-N 3.23Å; S344-Y346 VanDerWaalsContact OG-N 3.15Å; Y346-H352 AromaticContact CD2-ND1 3.8Å; Y346-H352 AromaticContact CE2-CE1 3.98Å; Y346-A355 HydrophobicContact CD1-CB 4.11Å; Y346-A355 HydrophobicContact CD2-CB 3.75Å; Y346-A355 HydrophobicContact CE2-CB 4.48Å; Y346-A355 HydrophobicContact CG-CB 3.57Å; Y346-H356 HydrophobicContact CE2-CB 3.63Å; Y346-H356 AromaticContact CE2-ND1 3.71Å; Y346-H356 AromaticContact CZ-ND1 3.67Å; Y346-H356 PolarHBondContact OH-ND1 3.44Å; Y346-F359 AromaticContact CD1-CD2 3.74Å; Y346-F359 HydrophobicContact CD1-CD2 3.74Å; Y346-F359 AromaticContact CD1-CE2 3.8Å; Y346-F359 HydrophobicContact CD1-CE2 3.8Å; Y346-F359 HydrophobicContact CE1-CB 4.24Å; Y346-F359 AromaticContact CE1-CD2 3.33Å; Y346-F359 HydrophobicContact CE1-CD2 3.33Å; Y346-F359 AromaticContact CE1-CE2 3.84Å; Y346-F359 HydrophobicContact CE1-CE2 3.84Å; Y346-F359 AromaticContact CE1-CG 3.89Å; Y346-F359 HydrophobicContact CE1-CG 3.89Å
347	A	82	Confident	89.4	Confident	12 Å²	12	31.2 Å²	31.2	10%	0.099	16%	0.155	C	C	.	.			trans	-160.3	23.9	-169.3	0	0	0	0	0	114	G200 H271 H272	G200-A347 PolarHBondContact N-O 3.47Å; H271-A347 CarbonylContact O-C 3.52Å; H271-A347 VanDerWaalsContact O-CA 3.29Å; H271-A347 WeakPolarHBondContact O-CA 3.21Å; H271-A347 WeakPolarHBondContact O-CB 3.42Å; H271-A347 VanDerWaalsContact O-O 3.05Å; H272-A347 HydrophobicContact CB-CB 4.3Å
348	L	70.5	Confident	89	Confident	55 Å²	55	32.2 Å²	32.2	29%	0.288	16%	0.164	S	C	.	.	S	Bend	trans	-114.5	-32.7	-178.1	179.7	65.6	0	0	0	112.5	Y432 F444	L348-Y432 HydrophobicContact CD1-CD2 3.4Å; L348-Y432 HydrophobicContact CD1-CE2 3.7Å; L348-Y432 HydrophobicContact CD1-CG 4.43Å; L348-Y432 HydrophobicContact CD2-CD2 3.77Å; L348-Y432 HydrophobicContact CD2-CG 4.37Å; L348-Y432 HydrophobicContact CG-CD2 4.13Å; L348-F444 HydrophobicContact CD1-CD1 4.47Å; L348-F444 HydrophobicContact CG-CD1 4.43Å
349	L	73.1	Confident	88.7	Confident	12 Å²	12	33.1 Å²	33.1	6%	0.063	17%	0.168	C	C	.	.	S	Bend	trans	-126.9	140.7	-177	-62	174.2	0	0	0	107.9	L273 D351 L354 L439 I443 F444	L273-L349 VanDerWaalsContact CD1-O 3.31Å; L273-L349 WeakPolarHBondContact CD1-O 3.44Å; L273-L349 WeakPolarHBondContact CD2-O 3.46Å; L349-D351 PolarHBondContact O-N 3.48Å; L349-L354 HydrophobicContact CD1-CD2 4.2Å; L349-L354 HydrophobicContact CD1-CG 4.48Å; L349-L439 HydrophobicContact CD1-CD1 4.04Å; L349-L439 HydrophobicContact CD2-CD1 4.47Å; L349-I443 VanDerWaalsContact CA-O 3.27Å; L349-I443 WeakPolarHBondContact CA-O 3.3Å; L349-I443 HydrophobicContact CB-CG2 4.02Å; L349-I443 HydrophobicContact CD2-CB 4.18Å; L349-I443 HydrophobicContact CD2-CG2 3.77Å; L349-I443 HydrophobicContact CG-CG2 4.31Å; L349-F444 HydrophobicContact CD2-CD1 3.49Å; L349-F444 VanDerWaalsContact CD2-CD1 3.49Å; L349-F444 HydrophobicContact CD2-CD2 4.22Å; L349-F444 HydrophobicContact CD2-CE1 3.48Å; L349-F444 VanDerWaalsContact CD2-CE1 3.48Å; L349-F444 HydrophobicContact CD2-CE2 4.23Å; L349-F444 HydrophobicContact CD2-CG 3.86Å; L349-F444 HydrophobicContact CD2-CZ 3.82Å
350	E	76.9	Confident	88.4	Confident	28 Å²	28	33 Å²	33	13%	0.131	17%	0.173	C	C	.	.	S	Bend	trans	-75.7	39.7	171.4	-158.1	-179.6	108.5	0	0	111.9	R40 L273 V290 F291 R294 I443 A446	R40-E350 IonicContact CZ-OE1 2.71Å; R40-E350 IonicContact NH1-OE1 3.87Å; R40-E350 PolarHBondContact NH1-OE1 3.02Å; R40-E350 IonicContact NH2-OE1 3.97Å; R40-E350 PolarHBondContact NH2-OE1 3.08Å; L273-E350 HydrophobicContact CD2-CG 4.34Å; V290-E350 HydrophobicContact CB-CG 4.5Å; F291-E350 HydrophobicContact CD2-CB 4.24Å; F291-E350 HydrophobicContact CD2-CG 4.39Å; F291-E350 HydrophobicContact CE2-CB 3.86Å; F291-E350 HydrophobicContact CZ-CB 4.17Å; R294-E350 WeakPolarHBondContact CD-OE2 3.2Å; R294-E350 IonicContact CZ-OE2 3.43Å; R294-E350 IonicContact NE-OE2 3.25Å; R294-E350 PolarHBondContact NE-OE2 3.43Å; R294-E350 VanDerWaalsContact NH1-CD 3.33Å; R294-E350 IonicContact NH1-OE1 3.5Å; R294-E350 PolarHBondContact NH1-OE1 3.31Å; R294-E350 IonicContact NH1-OE2 3.24Å; R294-E350 PolarHBondContact NH1-OE2 3Å; E350-I443 PolarHBondContact N-O 3.08Å; E350-I443 VanDerWaalsContact N-O 3.08Å; E350-A446 HydrophobicContact CB-CB 4.22Å
351	D	82.5	Confident	88.3	Confident	63 Å²	63	35.6 Å²	35.6	34%	0.337	19%	0.186	S	C	.	.			trans	-143.7	101.8	177	-170.5	-31.8	0	0	0	109	L349 D353 L354 A355	L349-D351 PolarHBondContact O-N 3.48Å; D351-D353 VanDerWaalsContact C-N 3.35Å; D351-D353 PolarHBondContact OD1-N 3.45Å; D351-L354 HydrophobicContact CB-CB 3.86Å; D351-L354 WeakPolarHBondContact OD1-CB 3.47Å; D351-L354 PolarHBondContact OD1-N 3.23Å; D351-A355 VanDerWaalsContact O-CB 3.26Å; D351-A355 WeakPolarHBondContact O-CB 3.36Å; D351-A355 PolarHBondContact O-N 3Å
352	H	88.7	Confident	87.9	Confident	24 Å²	24	36.1 Å²	36.1	11%	0.111	19%	0.189	C	C	.	.	H	α-helix	trans	-60.8	-44	179.1	173.2	79.4	0	0	0	111.8	F275 A289 G334 S344 Y346 A355 H356	F275-H352 AromaticContact CZ-ND1 3.89Å; A289-H352 HydrophobicContact CB-CB 3.67Å; G334-H352 PolarHBondContact O-CE1 3.37Å; G334-H352 VanDerWaalsContact O-CE1 3.29Å; S344-H352 PolarHBondContact OG-ND1 2.84Å; Y346-H352 AromaticContact CD2-ND1 3.8Å; Y346-H352 AromaticContact CE2-CE1 3.98Å; H352-A355 PolarHBondContact O-N 3Å; H352-H356 WeakPolarHBondContact O-CB 3.34Å; H352-H356 PolarHBondContact O-N 2.82Å
353	D	89.4	Confident	87.7	Confident	120 Å²	120	38.9 Å²	38.9	64%	0.642	20%	0.199	S	C	*	.	H	α-helix	trans	-72	-42.9	-172.3	-67.4	-40.4	0	0	0	110.8	D351 H356 W357	D351-D353 VanDerWaalsContact C-N 3.35Å; D351-D353 PolarHBondContact OD1-N 3.45Å; D353-H356 PolarHBondContact O-N 3.42Å; D353-W357 VanDerWaalsContact O-CB 3.3Å; D353-W357 WeakPolarHBondContact O-CB 3.48Å; D353-W357 PolarHBondContact O-N 3.03Å
354	L	87.7	Confident	87.3	Confident	51 Å²	51	44 Å²	44	27%	0.267	23%	0.226	S	C	.	.	H	α-helix	trans	-62.5	-46.5	174.4	-179.4	61.7	0	0	0	111.2	L349 D351 H356 W357 A358 L439 I443	L349-L354 HydrophobicContact CD1-CD2 4.2Å; L349-L354 HydrophobicContact CD1-CG 4.48Å; D351-L354 HydrophobicContact CB-CB 3.86Å; D351-L354 WeakPolarHBondContact OD1-CB 3.47Å; D351-L354 PolarHBondContact OD1-N 3.23Å; L354-H356 VanDerWaalsContact C-N 3.34Å; L354-H356 PolarHBondContact O-N 3.28Å; L354-W357 PolarHBondContact O-N 3.18Å; L354-A358 WeakPolarHBondContact O-CB 3.49Å; L354-A358 PolarHBondContact O-N 2.89Å; L354-L439 HydrophobicContact CD2-CD1 4.23Å; L354-I443 HydrophobicContact CD2-CG2 4.39Å
355	A	86.6	Confident	86.9	Confident	7 Å²	7	49.4 Å²	49.4	6%	0.058	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-46.9	175.7	0	0	0	0	0	110.5	Y346 D351 H352 W357 A358 F359	Y346-A355 HydrophobicContact CD1-CB 4.11Å; Y346-A355 HydrophobicContact CD2-CB 3.75Å; Y346-A355 HydrophobicContact CE2-CB 4.48Å; Y346-A355 HydrophobicContact CG-CB 3.57Å; D351-A355 VanDerWaalsContact O-CB 3.26Å; D351-A355 WeakPolarHBondContact O-CB 3.36Å; D351-A355 PolarHBondContact O-N 3Å; H352-A355 PolarHBondContact O-N 3Å; A355-W357 VanDerWaalsContact C-N 3.32Å; A355-W357 PolarHBondContact O-N 3.11Å; A355-A358 WeakPolarHBondContact O-CB 3.12Å; A355-A358 PolarHBondContact O-N 2.8Å; A355-A358 VanDerWaalsContact O-N 3.15Å; A355-F359 VanDerWaalsContact O-CD2 3.28Å; A355-F359 WeakPolarHBondContact O-CD2 3.49Å; A355-F359 PolarHBondContact O-N 3.46Å; A355-F359 VanDerWaalsContact O-N 3.14Å
356	H	91.4	Very high	86.5	Confident	36 Å²	36	54.2 Å²	54.2	17%	0.167	27%	0.272	C	S	.	.	H	α-helix	trans	-58.2	-44.9	178.3	-168.2	61.5	0	0	0	111.8	A333 Y346 H352 D353 L354 F359 G360 R363	A333-H356 PolarHBondContact O-CE1 3.44Å; Y346-H356 HydrophobicContact CE2-CB 3.63Å; Y346-H356 AromaticContact CE2-ND1 3.71Å; Y346-H356 AromaticContact CZ-ND1 3.67Å; Y346-H356 PolarHBondContact OH-ND1 3.44Å; H352-H356 WeakPolarHBondContact O-CB 3.34Å; H352-H356 PolarHBondContact O-N 2.82Å; D353-H356 PolarHBondContact O-N 3.42Å; L354-H356 VanDerWaalsContact C-N 3.34Å; L354-H356 PolarHBondContact O-N 3.28Å; H356-F359 PolarHBondContact O-N 3.4Å; H356-G360 PolarHBondContact O-N 3.26Å; H356-R363 PolarHBondContact CD2-NH2 3.03Å; H356-R363 VanDerWaalsContact CD2-NH2 3.3Å; H356-R363 PolarHBondContact CE1-NH1 3.44Å; H356-R363 PolarHBondContact NE2-NH1 2.79Å; H356-R363 PolarHBondContact NE2-NH2 3.32Å; H356-R363 PolarHBondContact O-NH2 2.78Å
357	W	91.6	Very high	86.1	Confident	196 Å²	196	57.3 Å²	57.3	74%	0.742	29%	0.294	S	S	*	.	H	α-helix	trans	-61.3	-43.8	175.5	-177.5	90.8	0	0	0	112.2	D353 L354 A355 F359 G360	D353-W357 VanDerWaalsContact O-CB 3.3Å; D353-W357 WeakPolarHBondContact O-CB 3.48Å; D353-W357 PolarHBondContact O-N 3.03Å; L354-W357 PolarHBondContact O-N 3.18Å; A355-W357 VanDerWaalsContact C-N 3.32Å; A355-W357 PolarHBondContact O-N 3.11Å; W357-F359 PolarHBondContact O-N 3.1Å; W357-G360 WeakPolarHBondContact O-CA 3.47Å; W357-G360 PolarHBondContact O-N 3.25Å
358	A	88.7	Confident	86.2	Confident	24 Å²	24	60.2 Å²	60.2	20%	0.198	31%	0.308	C	S	.	.	H	α-helix	trans	-60.8	-30.4	177.9	0	0	0	0	0	112.6	L354 A355 G360 P361 Y427 L431	L354-A358 WeakPolarHBondContact O-CB 3.49Å; L354-A358 PolarHBondContact O-N 2.89Å; A355-A358 WeakPolarHBondContact O-CB 3.12Å; A355-A358 PolarHBondContact O-N 2.8Å; A355-A358 VanDerWaalsContact O-N 3.15Å; A358-G360 VanDerWaalsContact C-N 3.3Å; A358-P361 WeakPolarHBondContact O-CD 3.29Å; A358-Y427 PolarHBondContact O-OH 2.96Å; A358-Y427 VanDerWaalsContact O-OH 3.07Å; A358-L431 HydrophobicContact CB-CD1 4.13Å; A358-L431 HydrophobicContact CB-CD2 4.34Å
359	F	91	Very high	86.7	Confident	18 Å²	18	63 Å²	63	8%	0.079	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	3.3	172.3	-76.4	-84.9	0	0	0	114.1	L245 L330 Y346 A355 H356 W357 L362 R363 Y427 A428 L431	L245-F359 HydrophobicContact CD1-CE1 4.45Å; L245-F359 HydrophobicContact CD1-CZ 4.02Å; L245-F359 HydrophobicContact CD2-CD1 4.34Å; L245-F359 HydrophobicContact CD2-CE1 3.42Å; L245-F359 VanDerWaalsContact CD2-CE1 3.42Å; L245-F359 HydrophobicContact CD2-CZ 3.72Å; L330-F359 HydrophobicContact CD2-CD1 3.91Å; L330-F359 HydrophobicContact CD2-CE1 4.42Å; Y346-F359 AromaticContact CD1-CD2 3.74Å; Y346-F359 HydrophobicContact CD1-CD2 3.74Å; Y346-F359 AromaticContact CD1-CE2 3.8Å; Y346-F359 HydrophobicContact CD1-CE2 3.8Å; Y346-F359 HydrophobicContact CE1-CB 4.24Å; Y346-F359 AromaticContact CE1-CD2 3.33Å; Y346-F359 HydrophobicContact CE1-CD2 3.33Å; Y346-F359 AromaticContact CE1-CE2 3.84Å; Y346-F359 HydrophobicContact CE1-CE2 3.84Å; Y346-F359 AromaticContact CE1-CG 3.89Å; Y346-F359 HydrophobicContact CE1-CG 3.89Å; A355-F359 VanDerWaalsContact O-CD2 3.28Å; A355-F359 WeakPolarHBondContact O-CD2 3.49Å; A355-F359 PolarHBondContact O-N 3.46Å; A355-F359 VanDerWaalsContact O-N 3.14Å; H356-F359 PolarHBondContact O-N 3.4Å; W357-F359 PolarHBondContact O-N 3.1Å; F359-L362 HydrophobicContact CD1-CD2 3.9Å; F359-L362 HydrophobicContact CE1-CD2 4.4Å; F359-L362 PolarHBondContact O-N 3.48Å; F359-R363 WeakPolarHBondContact O-CG 3.37Å; F359-R363 PolarHBondContact O-N 2.81Å; F359-Y427 AromaticContact CD1-CD1 3.87Å; F359-Y427 HydrophobicContact CD1-CD1 3.87Å; F359-Y427 AromaticContact CD1-CE1 3.88Å; F359-Y427 HydrophobicContact CD1-CE1 3.88Å; F359-Y427 AromaticContact CE1-CD1 3.8Å; F359-Y427 HydrophobicContact CE1-CD1 3.8Å; F359-Y427 HydrophobicContact CE1-CE1 4.19Å; F359-A428 HydrophobicContact CZ-CB 4.43Å; F359-L431 HydrophobicContact CD1-CD1 4.24Å; F359-L431 HydrophobicContact CD2-CD1 4.09Å; F359-L431 HydrophobicContact CE1-CD1 3.99Å; F359-L431 HydrophobicContact CE2-CD1 3.83Å; F359-L431 HydrophobicContact CG-CD1 4.29Å; F359-L431 HydrophobicContact CZ-CD1 3.78Å
360	G	91.3	Very high	86.7	Confident	22 Å²	22	70.7 Å²	70.7	23%	0.227	35%	0.346	C	S	.	.	H	α-helix	trans	-55.3	-49.1	176.6	0	0	0	0	0	114.6	H356 W357 A358 L362 R363 L364	H356-G360 PolarHBondContact O-N 3.26Å; W357-G360 WeakPolarHBondContact O-CA 3.47Å; W357-G360 PolarHBondContact O-N 3.25Å; A358-G360 VanDerWaalsContact C-N 3.3Å; G360-L362 VanDerWaalsContact C-N 3.28Å; G360-L362 PolarHBondContact O-N 3.41Å; G360-R363 PolarHBondContact O-N 3.02Å; G360-R363 VanDerWaalsContact O-N 3.14Å; G360-L364 PolarHBondContact O-N 3Å
361	P	92.6	Very high	86.6	Confident	70 Å²	70	74 Å²	74	46%	0.455	37%	0.372	S	S	.	.	H	α-helix	trans	-58	-39.6	178.2	-26.4	35.4	0	0	0	112.9	A358 L364 L365	A358-P361 WeakPolarHBondContact O-CD 3.29Å; P361-L364 PolarHBondContact O-N 3.47Å; P361-L365 VanDerWaalsContact O-CG 3.3Å; P361-L365 WeakPolarHBondContact O-CG 3.41Å; P361-L365 PolarHBondContact O-N 3.3Å
362	L	88.5	Confident	85.9	Confident	14 Å²	14	78.6 Å²	78.6	7%	0.073	39%	0.39	C	S	.	.	H	α-helix	trans	-65.6	-41.1	177.9	-173.3	63.2	0	0	0	111.9	L243 L330 F359 G360 R366 Y427	L243-L362 HydrophobicContact CD2-CD1 4.34Å; L243-L362 HydrophobicContact CD2-CD2 3.89Å; L243-L362 HydrophobicContact CD2-CG 4.42Å; L330-L362 HydrophobicContact CD2-CD2 3.81Å; F359-L362 HydrophobicContact CD1-CD2 3.9Å; F359-L362 HydrophobicContact CE1-CD2 4.4Å; F359-L362 PolarHBondContact O-N 3.48Å; G360-L362 VanDerWaalsContact C-N 3.28Å; G360-L362 PolarHBondContact O-N 3.41Å; L362-R366 VanDerWaalsContact O-CG 3.27Å; L362-R366 WeakPolarHBondContact O-CG 3.18Å; L362-R366 PolarHBondContact O-N 3.09Å; L362-R366 VanDerWaalsContact O-N 3.11Å; L362-Y427 HydrophobicContact CB-CD1 4.22Å; L362-Y427 HydrophobicContact CB-CE1 3.93Å; L362-Y427 HydrophobicContact CD2-CD1 3.82Å; L362-Y427 HydrophobicContact CD2-CE1 4.29Å; L362-Y427 HydrophobicContact CG-CD1 4.49Å
363	R	91.4	Very high	84.4	Confident	59 Å²	59	87 Å²	87	22%	0.223	42%	0.42	C	S	.	.	H	α-helix	trans	-64.6	-44	175.2	-69.8	-175.7	-72.2	147.3	-7.6	111.6	L242 H356 F359 G360 R366 S367	L242-R363 HydrophobicContact CD1-CG 3.66Å; H356-R363 PolarHBondContact CD2-NH2 3.03Å; H356-R363 VanDerWaalsContact CD2-NH2 3.3Å; H356-R363 PolarHBondContact CE1-NH1 3.44Å; H356-R363 PolarHBondContact NE2-NH1 2.79Å; H356-R363 PolarHBondContact NE2-NH2 3.32Å; H356-R363 PolarHBondContact O-NH2 2.78Å; F359-R363 WeakPolarHBondContact O-CG 3.37Å; F359-R363 PolarHBondContact O-N 2.81Å; G360-R363 PolarHBondContact O-N 3.02Å; G360-R363 VanDerWaalsContact O-N 3.14Å; R363-R366 PolarHBondContact O-N 3.17Å; R363-S367 WeakPolarHBondContact O-CB 3.44Å; R363-S367 PolarHBondContact O-N 3.29Å
364	L	88.4	Confident	82.3	Confident	106 Å²	106	83.9 Å²	83.9	56%	0.555	42%	0.417	S	S	*	.	H	α-helix	trans	-60.1	-48.2	176.5	-178.2	63.7	0	0	0	111.5	G360 P361 R366 S367 L368	G360-L364 PolarHBondContact O-N 3Å; P361-L364 PolarHBondContact O-N 3.47Å; L364-R366 VanDerWaalsContact C-N 3.3Å; L364-R366 PolarHBondContact O-N 3.33Å; L364-S367 WeakPolarHBondContact O-CB 3.38Å; L364-S367 PolarHBondContact O-N 3.05Å; L364-L368 HydrophobicContact CD1-CD1 4.3Å; L364-L368 HydrophobicContact CD1-CG 4.29Å; L364-L368 HydrophobicContact CG-CD1 4.04Å; L364-L368 HydrophobicContact CG-CG 4.43Å; L364-L368 WeakPolarHBondContact O-CG 2.92Å; L364-L368 PolarHBondContact O-N 2.98Å
365	L	88.4	Confident	80.1	Confident	115 Å²	115	90.4 Å²	90.4	60%	0.602	45%	0.446	S	S	*	.	H	α-helix	trans	-59.9	-39.1	177.7	-72.8	171.3	0	0	0	112.4	P361 K369	P361-L365 VanDerWaalsContact O-CG 3.3Å; P361-L365 WeakPolarHBondContact O-CG 3.41Å; P361-L365 PolarHBondContact O-N 3.3Å; L365-K369 WeakPolarHBondContact O-CB 3.44Å; L365-K369 PolarHBondContact O-N 2.85Å
366	R	84.3	Confident	78	Confident	103 Å²	103	97.5 Å²	97.5	39%	0.389	48%	0.483	S	S	.	.	H	α-helix	trans	-68.2	-40.5	176.4	-70.3	-71.2	-176.8	169.7	0.7	112.1	L362 R363 L364 R370	L362-R366 VanDerWaalsContact O-CG 3.27Å; L362-R366 WeakPolarHBondContact O-CG 3.18Å; L362-R366 PolarHBondContact O-N 3.09Å; L362-R366 VanDerWaalsContact O-N 3.11Å; R363-R366 PolarHBondContact O-N 3.17Å; L364-R366 VanDerWaalsContact C-N 3.3Å; L364-R366 PolarHBondContact O-N 3.33Å; R366-R370 PolarHBondContact O-N 2.83Å; R366-R370 VanDerWaalsContact O-N 3.13Å
367	S	83.3	Confident	75.4	Confident	68 Å²	68	102.7 Å²	102.7	48%	0.476	52%	0.517	S	S	.	.	H	α-helix	trans	-60.9	-48.8	173.7	-178.4	0	0	0	0	111.4	R363 L364 K369 R370 S371	R363-S367 WeakPolarHBondContact O-CB 3.44Å; R363-S367 PolarHBondContact O-N 3.29Å; L364-S367 WeakPolarHBondContact O-CB 3.38Å; L364-S367 PolarHBondContact O-N 3.05Å; S367-K369 PolarHBondContact O-N 2.72Å; S367-R370 WeakPolarHBondContact O-CB 3.45Å; S367-R370 PolarHBondContact O-N 2.93Å; S367-S371 PolarHBondContact O-N 3.16Å
368	L	83.3	Confident	72.7	Confident	73 Å²	73	103.5 Å²	103.5	38%	0.382	53%	0.526	S	S	.	.	H	α-helix	trans	-63.1	-45.7	178.6	-67.8	173.3	0	0	0	111.9	L364 R370 S371 F372	L364-L368 HydrophobicContact CD1-CD1 4.3Å; L364-L368 HydrophobicContact CD1-CG 4.29Å; L364-L368 HydrophobicContact CG-CD1 4.04Å; L364-L368 HydrophobicContact CG-CG 4.43Å; L364-L368 WeakPolarHBondContact O-CG 2.92Å; L364-L368 PolarHBondContact O-N 2.98Å; L368-R370 PolarHBondContact O-N 3.03Å; L368-S371 CarbonylContact O-C 3.58Å; L368-S371 WeakPolarHBondContact O-CA 3.2Å; L368-S371 PolarHBondContact O-N 3.19Å; L368-F372 HydrophobicContact CB-CD2 4.19Å; L368-F372 HydrophobicContact CB-CE2 4.29Å; L368-F372 HydrophobicContact CD2-CE2 4.08Å; L368-F372 WeakPolarHBondContact O-CD2 3.26Å; L368-F372 PolarHBondContact O-N 3.41Å
369	K	81.2	Confident	69.9	Low	113 Å²	113	105.4 Å²	105.4	49%	0.491	55%	0.548	S	S	.	.	H	α-helix	trans	-56.9	-37.8	176.1	-176.7	173.9	173.6	167.9	0	111.9	L365 S367 W373	L365-K369 WeakPolarHBondContact O-CB 3.44Å; L365-K369 PolarHBondContact O-N 2.85Å; S367-K369 PolarHBondContact O-N 2.72Å; K369-W373 HydrophobicContact CD-CE3 4.09Å; K369-W373 HydrophobicContact CD-CZ3 4.11Å; K369-W373 HydrophobicContact CG-CE3 3.68Å; K369-W373 HydrophobicContact CG-CZ3 4.13Å; K369-W373 PolarHBondContact O-N 3.23Å
370	R	74.4	Confident	66.8	Low	174 Å²	174	113.4 Å²	113.4	66%	0.657	59%	0.585	S	S	*	*	H	α-helix	trans	-68.2	-37.7	175.1	-173.2	178.5	178.9	-179.9	-2	112.2	R366 S367 L368 G374	R366-R370 PolarHBondContact O-N 2.83Å; R366-R370 VanDerWaalsContact O-N 3.13Å; S367-R370 WeakPolarHBondContact O-CB 3.45Å; S367-R370 PolarHBondContact O-N 2.93Å; L368-R370 PolarHBondContact O-N 3.03Å; R370-G374 WeakPolarHBondContact O-CA 3.48Å; R370-G374 PolarHBondContact O-N 3.28Å
371	S	73.5	Confident	63.9	Low	99 Å²	99	121.6 Å²	121.6	69%	0.692	62%	0.618	S	S	*	*	H	α-helix	trans	-72.8	-32.1	177.9	-163.6	0	0	0	0	113.4	S367 L368	S367-S371 PolarHBondContact O-N 3.16Å; L368-S371 CarbonylContact O-C 3.58Å; L368-S371 WeakPolarHBondContact O-CA 3.2Å; L368-S371 PolarHBondContact O-N 3.19Å
372	F	68.3	Low	60.8	Low	159 Å²	159	127.6 Å²	127.6	70%	0.697	64%	0.637	S	S	*	*	H	α-helix	trans	-92.4	-25.4	-176.9	-75.7	-69.4	0	0	0	114.4	L368	L368-F372 HydrophobicContact CB-CD2 4.19Å; L368-F372 HydrophobicContact CB-CE2 4.29Å; L368-F372 HydrophobicContact CD2-CE2 4.08Å; L368-F372 WeakPolarHBondContact O-CD2 3.26Å; L368-F372 PolarHBondContact O-N 3.41Å
373	W	57.2	Low	57.8	Low	200 Å²	200	132 Å²	132	76%	0.758	68%	0.675	S	S	*	*	S	Bend	trans	-118.8	24.4	179.9	-72.1	-24.9	0	0	0	113.4	K369 E375	K369-W373 HydrophobicContact CD-CE3 4.09Å; K369-W373 HydrophobicContact CD-CZ3 4.11Å; K369-W373 HydrophobicContact CG-CE3 3.68Å; K369-W373 HydrophobicContact CG-CZ3 4.13Å; K369-W373 PolarHBondContact O-N 3.23Å; W373-E375 PolarHBondContact O-N 3.05Å
374	G	45.2	Very low	54.5	Low	55 Å²	55	132.9 Å²	132.9	57%	0.567	70%	0.702	S	S	*	*			trans	-95.5	41.9	-176.2	0	0	0	0	0	115.7	R370	R370-G374 WeakPolarHBondContact O-CA 3.48Å; R370-G374 PolarHBondContact O-N 3.28Å
375	E	40.8	Very low	51.5	Low	187 Å²	187	135.2 Å²	135.2	87%	0.874	71%	0.714	S	S	*	*			trans	-143.7	84.6	159.8	-82.1	-159.2	141.7	0	0	108.9	W373	W373-E375 PolarHBondContact O-N 3.05Å
376	D	43.1	Very low	48.5	Very low	156 Å²	156	137.5 Å²	137.5	83%	0.834	72%	0.721	S	S	*	*			trans	-177.8	87	150.2	-103.5	-24.3	0	0	0	109.5
377	V	37.8	Very low	45.6	Very low	145 Å²	145	138.5 Å²	138.5	88%	0.879	74%	0.739	S	S	*	*			trans	-161.4	89.2	139.1	-173.5	0	0	0	0	108.3
378	K	34.3	Very low	42.7	Very low	214 Å²	214	139.3 Å²	139.3	93%	0.93	75%	0.75	S	S	*	*			trans	-96.3	115.7	141.6	-75.9	176.5	177.8	173.1	0	103.9
379	G	29.2	Very low	39.7	Very low	64 Å²	64	141.3 Å²	141.3	66%	0.66	77%	0.765	S	S	*	*				113.9	99.6	66.4	0	0	0	0	0	107.1
380	Q	27.6	Very low	37	Very low	186 Å²	186	143.8 Å²	143.8	87%	0.869	78%	0.778	S	S	*	*			trans	-150	83	161.2	-119.5	171.7	-9	0	0	109.8
381	Q	30.3	Very low	34.5	Very low	194 Å²	194	146 Å²	146	91%	0.907	79%	0.793	S	S	*	*			trans	-69.6	125.6	146.3	-78.8	178	-9.3	0	0	107.5
382	K	26	Very low	32.1	Very low	196 Å²	196	144.2 Å²	144.2	85%	0.852	79%	0.791	S	S	*	*			trans	-133.4	107.7	147.8	-99	-170.6	175.6	-177	0	108.2
383	A	25.2	Very low	29.8	Very low	106 Å²	106	143.1 Å²	143.1	88%	0.876	80%	0.797	S	S	*	*			trans	-71.7	146.2	156.2	0	0	0	0	0	109
384	G	22.8	Very low	28.2	Very low	77 Å²	77	140 Å²	140	79%	0.794	80%	0.8	S	S	*	*			trans	-179.7	82.3	175.6	0	0	0	0	0	110.8
385	I	26.2	Very low	27.1	Very low	156 Å²	156	144.2 Å²	144.2	80%	0.8	81%	0.805	S	S	*	*			trans	-63.6	136.8	157.1	-66.6	164.7	0	0	0	105.9
386	E	25.2	Very low	26.2	Very low	163 Å²	163	142.9 Å²	142.9	76%	0.762	80%	0.796	S	S	*	*				-179.1	140.7	69.8	-138.6	153.4	-136.8	0	0	110.9
387	T	22.5	Very low	25.2	Very low	124 Å²	124	143.3 Å²	143.3	76%	0.761	80%	0.797	S	S	*	*			trans	57.6	122.2	138.4	48.9	0	0	0	0	125.3
388	A	21.9	Very low	24.5	Very low	85 Å²	85	141.4 Å²	141.4	70%	0.702	79%	0.79	S	S	*	*				116.9	123.4	112.7	0	0	0	0	0	120.5
389	T	22	Very low	24	Very low	114 Å²	114	138.4 Å²	138.4	70%	0.699	78%	0.783	S	S	*	*			trans	82.1	125.5	136.3	30.3	0	0	0	0	124
390	Q	23.1	Very low	23.7	Very low	166 Å²	166	142.9 Å²	142.9	78%	0.776	79%	0.786	S	S	*	*			trans	79.3	112.2	136.1	-71.5	170.3	-5.4	0	0	118.6
391	F	22.4	Very low	23.6	Very low	219 Å²	219	143.7 Å²	143.7	96%	0.961	79%	0.787	S	S	*	*				67.4	120.5	81.1	-103	-83.5	0	0	0	114.4
392	G	22.1	Very low	23.3	Very low	63 Å²	63	141.4 Å²	141.4	65%	0.649	78%	0.776	S	S	*	*			trans	142.1	98.7	157.8	0	0	0	0	0	115.6
393	T	21.3	Very low	23.2	Very low	136 Å²	136	138.4 Å²	138.4	83%	0.834	77%	0.77	S	S	*	*			trans	13.3	144.1	137.7	46	0	0	0	0	118.7
394	T	23.3	Very low	23.1	Very low	133 Å²	133	139.9 Å²	139.9	82%	0.816	76%	0.763	S	S	*	*				-174.2	154.7	71.4	-40.3	0	0	0	0	111.4
395	E	21.2	Very low	23.3	Very low	144 Å²	144	144.1 Å²	144.1	67%	0.673	77%	0.766	S	S	*	*			trans	-67.8	162.9	-178.5	-66.5	-172.7	122.5	0	0	118.1
396	K	22	Very low	23.3	Very low	159 Å²	159	141.5 Å²	141.5	69%	0.691	76%	0.762	S	S	*	*			trans	72.4	130.1	138.9	-80.7	161.4	-170.9	153.8	0	120
397	I	23.2	Very low	23.4	Very low	165 Å²	165	142.2 Å²	142.2	85%	0.846	77%	0.765	S	S	*	*				-169.9	139.2	101.4	-85.6	151.4	0	0	0	109.8
398	S	21.9	Very low	23.7	Very low	105 Å²	105	141.7 Å²	141.7	73%	0.734	76%	0.764	S	S	*	*			trans	-97.2	161.4	179.8	-177.7	0	0	0	0	110.6
399	I	24.9	Very low	23.8	Very low	152 Å²	152	145.1 Å²	145.1	78%	0.779	77%	0.77	S	S	*	*			trans	-159.4	118.7	147	-90.2	141.2	0	0	0	111.3
400	H	23.1	Very low	23.8	Very low	157 Å²	157	150.7 Å²	150.7	73%	0.727	78%	0.778	S	S	*	*			trans	34.7	135	145.9	-70.1	-54.7	0	0	0	124.8
401	K	25	Very low	23.8	Very low	204 Å²	204	147.7 Å²	147.7	89%	0.887	77%	0.77	S	S	*	*				-172.7	138	85.5	-161.3	172.3	177.3	178.3	0	113.4
402	Q	23.2	Very low	23.8	Very low	146 Å²	146	145.7 Å²	145.7	68%	0.682	76%	0.761	S	S	*	*			trans	-75.4	159.9	171.4	-69.8	157.5	-75.6	0	0	110.8
403	D	25.3	Very low	23.9	Very low	133 Å²	133	149.4 Å²	149.4	71%	0.711	77%	0.766	S	S	*	*				-168.7	149.4	60.5	-95.4	-50.2	0	0	0	113.9
404	N	22.8	Very low	24	Very low	136 Å²	136	150.7 Å²	150.7	73%	0.727	76%	0.763	S	S	*	*			trans	-10.7	140.9	161.9	-59.9	-58.7	0	0	0	123.6
405	L	26.6	Very low	24.1	Very low	166 Å²	166	152.7 Å²	152.7	87%	0.869	76%	0.763	S	S	*	*				-168.5	133.1	114.5	-120.9	86.3	0	0	0	113.1
406	S	25.7	Very low	24.2	Very low	101 Å²	101	153.6 Å²	153.6	71%	0.706	77%	0.767	S	S	*	*			trans	-11.7	144.5	161.9	48.5	0	0	0	0	119.5
407	E	27.4	Very low	24.2	Very low	178 Å²	178	150.8 Å²	150.8	83%	0.832	77%	0.767	S	S	*	*			cis	-179.5	-175.6	31.7	-125.5	-174.1	-168.9	0	0	107.2
408	P	28.5	Very low	24.2	Very low	113 Å²	113	147.9 Å²	147.9	73%	0.734	76%	0.761	S	S	*	*				-113.4	174.1	-55.2	35.1	-18.1	0	0	0	113.4
409	L	25.4	Very low	24.5	Very low	158 Å²	158	150 Å²	150	83%	0.827	76%	0.763	S	S	*	*			trans	-51.3	130.5	-175.9	-81.5	79.6	0	0	0	115.4	V411	L409-V411 HydrophobicContact CD2-CG2 4.16Å
410	R	22	Very low	24.9	Very low	231 Å²	231	149.8 Å²	149.8	87%	0.872	76%	0.757	S	S	*	*			trans	-123	93.5	152.7	-154.9	175	-171.4	176	3.7	107.6	K412	R410-K412 PolarHBondContact O-N 3.24Å
411	V	23.8	Very low	25.6	Very low	102 Å²	102	147.4 Å²	147.4	62%	0.618	75%	0.753	S	S	*	*			trans	-60.9	107	170.9	178.1	0	0	0	0	106.9	L409 D413	L409-V411 HydrophobicContact CD2-CG2 4.16Å; V411-D413 WeakPolarHBondContact CG1-OD1 3.49Å
412	K	22.3	Very low	27	Very low	177 Å²	177	139.4 Å²	139.4	77%	0.77	72%	0.723	S	S	*	*			trans	-90.7	98.3	159.9	-82.5	-176.9	174.8	179.4	0	105.5	R410 Q414	R410-K412 PolarHBondContact O-N 3.24Å; K412-Q414 VanDerWaalsContact C-N 3.28Å; K412-Q414 PolarHBondContact O-N 2.94Å
413	D	22.4	Very low	29.1	Very low	141 Å²	141	139.1 Å²	139.1	75%	0.754	72%	0.721	S	S	*	*			trans	-63.1	97.9	162.5	-75.5	-34.5	0	0	0	107.6	V411 E415	V411-D413 WeakPolarHBondContact CG1-OD1 3.49Å; D413-E415 PolarHBondContact O-N 3.05Å
414	Q	24.8	Very low	31.5	Very low	163 Å²	163	134 Å²	134	76%	0.762	70%	0.695	S	S	*	*			trans	-87.6	66.7	165.3	-117.4	-178.3	-32	0	0	107.5	K412 Q416	K412-Q414 VanDerWaalsContact C-N 3.28Å; K412-Q414 PolarHBondContact O-N 2.94Å; Q414-Q416 PolarHBondContact O-N 3.22Å
415	E	24.1	Very low	34.4	Very low	175 Å²	175	129.3 Å²	129.3	82%	0.818	67%	0.669	S	S	*	*			trans	-76.2	83.9	156	-81.8	-167.7	152.1	0	0	107.6	D413 C417	D413-E415 PolarHBondContact O-N 3.05Å; E415-C417 PolarHBondContact O-N 2.84Å
416	Q	24.8	Very low	37	Very low	164 Å²	164	129.2 Å²	129.2	77%	0.766	66%	0.657	S	S	*	*			trans	-76.3	69.7	164.7	-159.9	151.9	-6.6	0	0	107.9	Q414 S418	Q414-Q416 PolarHBondContact O-N 3.22Å; Q416-S418 PolarHBondContact O-N 2.87Å; Q416-S418 VanDerWaalsContact O-N 3.13Å
417	C	20.5	Very low	39.8	Very low	100 Å²	100	125.8 Å²	125.8	68%	0.676	63%	0.629	S	S	*	*			trans	-69.4	103.2	165.9	-167.8	0	0	0	0	106.7	E415 L419	E415-C417 PolarHBondContact O-N 2.84Å; C417-L419 PolarHBondContact O-N 3.3Å
418	S	24.3	Very low	42.2	Very low	104 Å²	104	118.1 Å²	118.1	73%	0.727	60%	0.596	S	S	*	*			trans	-66.6	83.2	174.2	63.4	0	0	0	0	109.3	Q416 K420	Q416-S418 PolarHBondContact O-N 2.87Å; Q416-S418 VanDerWaalsContact O-N 3.13Å; S418-K420 VanDerWaalsContact C-N 3.31Å; S418-K420 PolarHBondContact O-N 2.94Å
419	L	27.5	Very low	44.5	Very low	149 Å²	149	119.1 Å²	119.1	78%	0.78	59%	0.585	S	S	*	*			trans	-61	95.6	163.3	-90.1	140.9	0	0	0	107.4	C417 T421	C417-L419 PolarHBondContact O-N 3.3Å; L419-T421 PolarHBondContact O-N 3.4Å
420	K	34.3	Very low	47.1	Very low	148 Å²	148	114.9 Å²	114.9	64%	0.643	56%	0.563	S	S	*	*			trans	-62.6	109.4	164.1	-86.3	178.8	-177.6	167.1	0	106.8	S418 S422	S418-K420 VanDerWaalsContact C-N 3.31Å; S418-K420 PolarHBondContact O-N 2.94Å; K420-S422 PolarHBondContact O-N 2.95Å
421	T	36.5	Very low	49.8	Very low	106 Å²	106	105.6 Å²	105.6	65%	0.65	53%	0.53	S	S	*	.			trans	-71.1	126.4	179.4	48.3	0	0	0	0	109.9	L419 E423	L419-T421 PolarHBondContact O-N 3.4Å; T421-E423 PolarHBondContact O-N 2.64Å; T421-E423 VanDerWaalsContact O-N 3.07Å
422	S	54	Low	52.1	Low	36 Å²	36	104.1 Å²	104.1	25%	0.252	51%	0.514	S	S	.	.			trans	-49.8	110.2	156.1	159.3	0	0	0	0	108.9	R198 H246 D248 K420	R198-S422 PolarHBondContact NH1-OG 3.22Å; H246-S422 PolarHBondContact NE2-OG 2.98Å; D248-S422 WeakPolarHBondContact OD2-CB 3.19Å; K420-S422 PolarHBondContact O-N 2.95Å
423	E	69.1	Low	54.4	Low	140 Å²	140	103.3 Å²	103.3	65%	0.654	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	97.2	-174.4	-148	178.9	-179.6	0	0	110.6	R247 T421	R247-E423 PolarHBondContact N-O 3.38Å; T421-E423 PolarHBondContact O-N 2.64Å; T421-E423 VanDerWaalsContact O-N 3.07Å
424	V	75	Confident	56.9	Low	26 Å²	26	101.5 Å²	101.5	16%	0.158	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.1	161.6	-178.7	0	0	0	0	107.5	R198 L245 H246 W426 A428 R429	R198-V424 HydrophobicContact CB-CG2 3.85Å; R198-V424 HydrophobicContact CG-CG2 3.84Å; L245-V424 CarbonylContact O-C 3.56Å; L245-V424 WeakPolarHBondContact O-CA 3.42Å; H246-V424 HydrophobicContact CB-CG2 4.46Å; V424-W426 PolarHBondContact O-N 2.63Å; V424-A428 HydrophobicContact CG1-CB 4.45Å; V424-R429 HydrophobicContact CB-CG 4.21Å; V424-R429 HydrophobicContact CG1-CG 3.75Å
425	H	82.8	Confident	59	Low	37 Å²	37	94.3 Å²	94.3	17%	0.171	46%	0.46	C	S	.	.			trans	-60.6	133.9	-174	-171.1	-89.7	0	0	0	111.4	L245 Y427 A428 R429	L245-H425 PolarHBondContact O-N 3.41Å; H425-Y427 WeakPolarHBondContact ND1-CB 3.2Å; H425-Y427 PolarHBondContact ND1-N 2.89Å; H425-Y427 PolarHBondContact O-N 3Å; H425-Y427 VanDerWaalsContact O-N 3.09Å; H425-A428 WeakPolarHBondContact O-CB 3.42Å; H425-A428 PolarHBondContact O-N 3.04Å; H425-R429 PolarHBondContact O-N 2.92Å
426	W	83	Confident	60.8	Low	164 Å²	164	89.3 Å²	89.3	62%	0.621	44%	0.443	S	S	*	.	H	α-helix	trans	-53.6	-37.3	-174.3	70	-93.1	0	0	0	113.4	V424 R429 L430	V424-W426 PolarHBondContact O-N 2.63Å; W426-R429 PolarHBondContact O-N 3.04Å; W426-L430 HydrophobicContact CE3-CD2 4.46Å; W426-L430 HydrophobicContact CZ3-CD2 3.93Å; W426-L430 WeakPolarHBondContact O-CB 3.34Å; W426-L430 PolarHBondContact O-N 2.7Å
427	Y	83.2	Confident	62.9	Low	29 Å²	29	87.3 Å²	87.3	11%	0.114	44%	0.437	C	S	.	.	H	α-helix	trans	-67.6	-36.7	-179.8	-170.4	-108.5	0	0	0	112	A358 F359 L362 H425 L430 L431	A358-Y427 PolarHBondContact O-OH 2.96Å; A358-Y427 VanDerWaalsContact O-OH 3.07Å; F359-Y427 AromaticContact CD1-CD1 3.87Å; F359-Y427 HydrophobicContact CD1-CD1 3.87Å; F359-Y427 AromaticContact CD1-CE1 3.88Å; F359-Y427 HydrophobicContact CD1-CE1 3.88Å; F359-Y427 AromaticContact CE1-CD1 3.8Å; F359-Y427 HydrophobicContact CE1-CD1 3.8Å; F359-Y427 HydrophobicContact CE1-CE1 4.19Å; L362-Y427 HydrophobicContact CB-CD1 4.22Å; L362-Y427 HydrophobicContact CB-CE1 3.93Å; L362-Y427 HydrophobicContact CD2-CD1 3.82Å; L362-Y427 HydrophobicContact CD2-CE1 4.29Å; L362-Y427 HydrophobicContact CG-CD1 4.49Å; H425-Y427 WeakPolarHBondContact ND1-CB 3.2Å; H425-Y427 PolarHBondContact ND1-N 2.89Å; H425-Y427 PolarHBondContact O-N 3Å; H425-Y427 VanDerWaalsContact O-N 3.09Å; Y427-L430 PolarHBondContact O-N 3Å; Y427-L431 HydrophobicContact CD1-CD1 3.9Å; Y427-L431 HydrophobicContact CD1-CG 4.29Å; Y427-L431 HydrophobicContact CE1-CD1 3.51Å; Y427-L431 HydrophobicContact CE1-CD2 4.48Å; Y427-L431 HydrophobicContact CE1-CG 3.99Å; Y427-L431 WeakPolarHBondContact O-CG 3.41Å; Y427-L431 PolarHBondContact O-N 2.81Å
428	A	78.8	Confident	65.2	Low	17 Å²	17	89.8 Å²	89.8	14%	0.14	44%	0.436	C	S	.	.	H	α-helix	trans	-65.9	-42	174.5	0	0	0	0	0	110.8	L245 F359 V424 H425 L430 L431 Y432	L245-A428 HydrophobicContact CD2-CB 4.28Å; F359-A428 HydrophobicContact CZ-CB 4.43Å; V424-A428 HydrophobicContact CG1-CB 4.45Å; H425-A428 WeakPolarHBondContact O-CB 3.42Å; H425-A428 PolarHBondContact O-N 3.04Å; A428-L430 VanDerWaalsContact C-N 3.32Å; A428-L430 PolarHBondContact O-N 3.12Å; A428-L431 PolarHBondContact O-N 3.05Å; A428-Y432 WeakPolarHBondContact O-CB 3.44Å; A428-Y432 PolarHBondContact O-N 3Å
429	R	77	Confident	67.2	Low	135 Å²	135	87.8 Å²	87.8	51%	0.509	42%	0.417	S	S	.	.	H	α-helix	trans	-62.6	-39.1	175	-62.1	179.5	68.3	-173.3	3.5	112.3	V424 H425 W426 R433	V424-R429 HydrophobicContact CB-CG 4.21Å; V424-R429 HydrophobicContact CG1-CG 3.75Å; H425-R429 PolarHBondContact O-N 2.92Å; W426-R429 PolarHBondContact O-N 3.04Å; R429-R433 WeakPolarHBondContact O-CG 3.41Å; R429-R433 PolarHBondContact O-N 3.38Å; R429-R433 VanDerWaalsContact O-N 3.11Å
430	L	79.3	Confident	68.6	Low	69 Å²	69	85.4 Å²	85.4	36%	0.361	41%	0.405	S	S	.	.	H	α-helix	trans	-64.9	-50.9	177.1	-176.2	65.9	0	0	0	110.7	W426 Y427 A428 Y432 R433 F434	W426-L430 HydrophobicContact CE3-CD2 4.46Å; W426-L430 HydrophobicContact CZ3-CD2 3.93Å; W426-L430 WeakPolarHBondContact O-CB 3.34Å; W426-L430 PolarHBondContact O-N 2.7Å; Y427-L430 PolarHBondContact O-N 3Å; A428-L430 VanDerWaalsContact C-N 3.32Å; A428-L430 PolarHBondContact O-N 3.12Å; L430-Y432 VanDerWaalsContact C-N 3.29Å; L430-Y432 PolarHBondContact O-N 3.44Å; L430-R433 PolarHBondContact O-N 3.33Å; L430-F434 HydrophobicContact CD1-CD2 3.9Å; L430-F434 HydrophobicContact CD1-CE2 3.5Å; L430-F434 HydrophobicContact CD2-CE2 4.19Å; L430-F434 HydrophobicContact CG-CD2 3.8Å; L430-F434 HydrophobicContact CG-CE2 3.67Å; L430-F434 VanDerWaalsContact O-CD2 3.3Å; L430-F434 WeakPolarHBondContact O-CD2 3.34Å; L430-F434 PolarHBondContact O-N 3.19Å
431	L	79.1	Confident	69.5	Low	36 Å²	36	80.5 Å²	80.5	19%	0.188	39%	0.39	C	S	.	.	H	α-helix	trans	-57.6	-43.4	176.9	-74.7	-179.1	0	0	0	111.4	A358 F359 Y427 A428 R433 F434 A435	A358-L431 HydrophobicContact CB-CD1 4.13Å; A358-L431 HydrophobicContact CB-CD2 4.34Å; F359-L431 HydrophobicContact CD1-CD1 4.24Å; F359-L431 HydrophobicContact CD2-CD1 4.09Å; F359-L431 HydrophobicContact CE1-CD1 3.99Å; F359-L431 HydrophobicContact CE2-CD1 3.83Å; F359-L431 HydrophobicContact CG-CD1 4.29Å; F359-L431 HydrophobicContact CZ-CD1 3.78Å; Y427-L431 HydrophobicContact CD1-CD1 3.9Å; Y427-L431 HydrophobicContact CD1-CG 4.29Å; Y427-L431 HydrophobicContact CE1-CD1 3.51Å; Y427-L431 HydrophobicContact CE1-CD2 4.48Å; Y427-L431 HydrophobicContact CE1-CG 3.99Å; Y427-L431 WeakPolarHBondContact O-CG 3.41Å; Y427-L431 PolarHBondContact O-N 2.81Å; A428-L431 PolarHBondContact O-N 3.05Å; L431-R433 PolarHBondContact O-N 3.42Å; L431-F434 PolarHBondContact O-N 3.39Å; L431-A435 WeakPolarHBondContact O-CB 3.41Å; L431-A435 PolarHBondContact O-N 3.11Å
432	Y	71.6	Confident	70.1	Confident	70 Å²	70	79.3 Å²	79.3	28%	0.275	38%	0.379	S	S	.	.	H	α-helix	trans	-56.7	-49	175.2	177	-117.3	0	0	0	112.4	L348 A428 L430 F434 A435 C436	L348-Y432 HydrophobicContact CD1-CD2 3.4Å; L348-Y432 HydrophobicContact CD1-CE2 3.7Å; L348-Y432 HydrophobicContact CD1-CG 4.43Å; L348-Y432 HydrophobicContact CD2-CD2 3.77Å; L348-Y432 HydrophobicContact CD2-CG 4.37Å; L348-Y432 HydrophobicContact CG-CD2 4.13Å; A428-Y432 WeakPolarHBondContact O-CB 3.44Å; A428-Y432 PolarHBondContact O-N 3Å; L430-Y432 VanDerWaalsContact C-N 3.29Å; L430-Y432 PolarHBondContact O-N 3.44Å; Y432-F434 PolarHBondContact O-N 3Å; Y432-A435 PolarHBondContact O-N 3.33Å; Y432-C436 VanDerWaalsContact CE2-SG 3.55Å; Y432-C436 PolarHBondContact O-N 3.38Å; Y432-C436 PolarHBondContact O-SG 3.16Å
433	R	71.3	Confident	70.1	Confident	160 Å²	160	80.1 Å²	80.1	60%	0.604	38%	0.38	S	S	*	.	H	α-helix	trans	-61.1	-43	178.3	-73.4	178.8	176.9	-169.1	-1.8	112.7	R429 L430 L431 I437	R429-R433 WeakPolarHBondContact O-CG 3.41Å; R429-R433 PolarHBondContact O-N 3.38Å; R429-R433 VanDerWaalsContact O-N 3.11Å; L430-R433 PolarHBondContact O-N 3.33Å; L431-R433 PolarHBondContact O-N 3.42Å; R433-I437 WeakPolarHBondContact O-CD1 3.39Å; R433-I437 VanDerWaalsContact O-CG1 3.3Å; R433-I437 WeakPolarHBondContact O-CG1 3.38Å; R433-I437 PolarHBondContact O-N 3.4Å
434	F	74.4	Confident	69.1	Low	104 Å²	104	74 Å²	74	46%	0.456	35%	0.351	S	S	.	.	H	α-helix	trans	-62.8	-46.2	175.3	-87.1	-71.7	0	0	0	111.3	L430 L431 Y432 C436 I437 F438	L430-F434 HydrophobicContact CD1-CD2 3.9Å; L430-F434 HydrophobicContact CD1-CE2 3.5Å; L430-F434 HydrophobicContact CD2-CE2 4.19Å; L430-F434 HydrophobicContact CG-CD2 3.8Å; L430-F434 HydrophobicContact CG-CE2 3.67Å; L430-F434 VanDerWaalsContact O-CD2 3.3Å; L430-F434 WeakPolarHBondContact O-CD2 3.34Å; L430-F434 PolarHBondContact O-N 3.19Å; L431-F434 PolarHBondContact O-N 3.39Å; Y432-F434 PolarHBondContact O-N 3Å; F434-C436 PolarHBondContact O-N 2.79Å; F434-I437 PolarHBondContact O-N 3.28Å; F434-F438 HydrophobicContact CD1-CD2 4.01Å; F434-F438 AromaticContact CD1-CE2 3.77Å; F434-F438 HydrophobicContact CD1-CE2 3.77Å; F434-F438 HydrophobicContact CE1-CE2 4.27Å; F434-F438 VanDerWaalsContact O-CD2 3.29Å; F434-F438 WeakPolarHBondContact O-CD2 3.45Å; F434-F438 PolarHBondContact O-N 3.5Å
435	A	67.6	Low	68	Low	11 Å²	11	74.1 Å²	74.1	9%	0.091	35%	0.35	C	S	.	.	H	α-helix	trans	-59.2	-47.5	-179.1	0	0	0	0	0	110	L431 Y432 I437 F438 L439 F444	L431-A435 WeakPolarHBondContact O-CB 3.41Å; L431-A435 PolarHBondContact O-N 3.11Å; Y432-A435 PolarHBondContact O-N 3.33Å; A435-I437 PolarHBondContact O-N 2.86Å; A435-F438 PolarHBondContact O-N 3.28Å; A435-L439 HydrophobicContact CB-CD1 3.96Å; A435-L439 WeakPolarHBondContact O-CB 3.46Å; A435-L439 PolarHBondContact O-N 3.4Å; A435-F444 HydrophobicContact CB-CE1 3.33Å; A435-F444 HydrophobicContact CB-CZ 3.32Å; A435-F444 WeakPolarHBondContact O-CZ 3.21Å
436	C	62.8	Low	65.8	Low	70 Å²	70	73.6 Å²	73.6	47%	0.473	35%	0.353	S	S	.	.	H	α-helix	trans	-58	-20.5	175.3	-68.4	0	0	0	0	114.9	Y432 F434	Y432-C436 VanDerWaalsContact CE2-SG 3.55Å; Y432-C436 PolarHBondContact O-N 3.38Å; Y432-C436 PolarHBondContact O-SG 3.16Å; F434-C436 PolarHBondContact O-N 2.79Å
437	I	68.7	Low	64.9	Low	123 Å²	123	69.1 Å²	69.1	63%	0.631	34%	0.339	S	S	*	.	H	α-helix	trans	-92.5	-36.7	-179.2	-64.9	165.6	0	0	0	111.1	R433 F434 A435	R433-I437 WeakPolarHBondContact O-CD1 3.39Å; R433-I437 VanDerWaalsContact O-CG1 3.3Å; R433-I437 WeakPolarHBondContact O-CG1 3.38Å; R433-I437 PolarHBondContact O-N 3.4Å; F434-I437 PolarHBondContact O-N 3.28Å; A435-I437 PolarHBondContact O-N 2.86Å
438	F	69.1	Low	63.9	Low	151 Å²	151	71.2 Å²	71.2	66%	0.662	35%	0.351	S	S	*	.	H	α-helix	trans	-116.5	-22.1	-164	-69.4	-72.1	0	0	0	115.3	F434 A435	F434-F438 HydrophobicContact CD1-CD2 4.01Å; F434-F438 AromaticContact CD1-CE2 3.77Å; F434-F438 HydrophobicContact CD1-CE2 3.77Å; F434-F438 HydrophobicContact CE1-CE2 4.27Å; F434-F438 VanDerWaalsContact O-CD2 3.29Å; F434-F438 WeakPolarHBondContact O-CD2 3.45Å; F434-F438 PolarHBondContact O-N 3.5Å; A435-F438 PolarHBondContact O-N 3.28Å
439	L	65.8	Low	63.1	Low	63 Å²	63	74.2 Å²	74.2	33%	0.33	36%	0.363	S	S	.	.	S	Bend	trans	-98.8	147.9	-179.5	-65.6	179.1	0	0	0	110.2	L349 L354 A435 S441 I443 F444	L349-L439 HydrophobicContact CD1-CD1 4.04Å; L349-L439 HydrophobicContact CD2-CD1 4.47Å; L354-L439 HydrophobicContact CD2-CD1 4.23Å; A435-L439 HydrophobicContact CB-CD1 3.96Å; A435-L439 WeakPolarHBondContact O-CB 3.46Å; A435-L439 PolarHBondContact O-N 3.4Å; L439-S441 PolarHBondContact O-N 3.43Å; L439-I443 HydrophobicContact CB-CD1 4.43Å; L439-F444 HydrophobicContact CB-CE2 3.67Å; L439-F444 HydrophobicContact CB-CZ 3.78Å; L439-F444 HydrophobicContact CD1-CZ 4.18Å
440	D	57.5	Low	62.3	Low	99 Å²	99	70.6 Å²	70.6	53%	0.529	35%	0.354	S	S	.	.			trans	-58.7	134.1	172.8	-157.8	-23.5	0	0	0	109.6	D442 I443 F444	D440-D442 PolarHBondContact O-N 3.39Å; D440-D442 VanDerWaalsContact O-N 3.13Å; D440-I443 HydrophobicContact CB-CD1 4.47Å; D440-I443 HydrophobicContact CB-CG1 4.47Å; D440-I443 WeakPolarHBondContact O-CG1 3.29Å; D440-I443 PolarHBondContact O-N 3.18Å; D440-F444 WeakPolarHBondContact O-CD2 3.48Å; D440-F444 WeakPolarHBondContact O-CE2 3.33Å
441	S	52.7	Low	61.2	Low	45 Å²	45	70.8 Å²	70.8	32%	0.315	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-60.1	-22.5	-177.1	40.3	0	0	0	0	113	R111 L439 I443 F444	R111-S441 WeakPolarHBondContact CD-OG 3.33Å; R111-S441 WeakPolarHBondContact CG-OG 3.4Å; R111-S441 PolarHBondContact NH1-O 3.27Å; L439-S441 PolarHBondContact O-N 3.43Å; S441-I443 PolarHBondContact O-N 3.24Å; S441-F444 PolarHBondContact O-N 3.26Å
442	D	49.2	Very low	60	Low	81 Å²	81	73.1 Å²	73.1	43%	0.433	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-62.1	-19.5	174.7	-68.5	-6.1	0	0	0	113.5	R111 D440 A446	R111-D442 VanDerWaalsContact CD-OD1 3.31Å; R111-D442 WeakPolarHBondContact CD-OD1 3.42Å; D440-D442 PolarHBondContact O-N 3.39Å; D440-D442 VanDerWaalsContact O-N 3.13Å; D442-A446 PolarHBondContact O-N 2.84Å
443	I	54.4	Low	59.2	Low	52 Å²	52	73.3 Å²	73.3	27%	0.267	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-84.2	-24.6	-178.1	-48.9	177.7	0	0	0	111.5	L349 E350 L354 L439 D440 S441	L349-I443 VanDerWaalsContact CA-O 3.27Å; L349-I443 WeakPolarHBondContact CA-O 3.3Å; L349-I443 HydrophobicContact CB-CG2 4.02Å; L349-I443 HydrophobicContact CD2-CB 4.18Å; L349-I443 HydrophobicContact CD2-CG2 3.77Å; L349-I443 HydrophobicContact CG-CG2 4.31Å; E350-I443 PolarHBondContact N-O 3.08Å; E350-I443 VanDerWaalsContact N-O 3.08Å; L354-I443 HydrophobicContact CD2-CG2 4.39Å; L439-I443 HydrophobicContact CB-CD1 4.43Å; D440-I443 HydrophobicContact CB-CD1 4.47Å; D440-I443 HydrophobicContact CB-CG1 4.47Å; D440-I443 WeakPolarHBondContact O-CG1 3.29Å; D440-I443 PolarHBondContact O-N 3.18Å; S441-I443 PolarHBondContact O-N 3.24Å
444	F	48.7	Very low	58.3	Low	11 Å²	11	66.6 Å²	66.6	5%	0.048	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-33.1	-176.4	-62.9	-90.5	0	0	0	113.6	F291 L348 L349 A435 L439 D440 S441	F291-F444 WeakPolarHBondContact CZ-O 3.5Å; L348-F444 HydrophobicContact CD1-CD1 4.47Å; L348-F444 HydrophobicContact CG-CD1 4.43Å; L349-F444 HydrophobicContact CD2-CD1 3.49Å; L349-F444 VanDerWaalsContact CD2-CD1 3.49Å; L349-F444 HydrophobicContact CD2-CD2 4.22Å; L349-F444 HydrophobicContact CD2-CE1 3.48Å; L349-F444 VanDerWaalsContact CD2-CE1 3.48Å; L349-F444 HydrophobicContact CD2-CE2 4.23Å; L349-F444 HydrophobicContact CD2-CG 3.86Å; L349-F444 HydrophobicContact CD2-CZ 3.82Å; A435-F444 HydrophobicContact CB-CE1 3.33Å; A435-F444 HydrophobicContact CB-CZ 3.32Å; A435-F444 WeakPolarHBondContact O-CZ 3.21Å; L439-F444 HydrophobicContact CB-CE2 3.67Å; L439-F444 HydrophobicContact CB-CZ 3.78Å; L439-F444 HydrophobicContact CD1-CZ 4.18Å; D440-F444 WeakPolarHBondContact O-CD2 3.48Å; D440-F444 WeakPolarHBondContact O-CE2 3.33Å; S441-F444 PolarHBondContact O-N 3.26Å
445	H	50.5	Low	56.9	Low	29 Å²	29	63.5 Å²	63.5	13%	0.134	35%	0.345	C	S	.	.			trans	-145.6	75.8	-177.9	-58.7	-66.1	0	0	0	106.2	R104 R111 G172 H271	R104-H445 PolarHBondContact NH1-CE1 3.41Å; R104-H445 PolarHBondContact NH1-NE2 3.34Å; R104-H445 PolarHBondContact NH2-CE1 3.3Å; R104-H445 PolarHBondContact NH2-ND1 3.3Å; R111-H445 PolarHBondContact NH1-O 2.93Å; G172-H445 WeakPolarHBondContact CA-O 3.49Å; H271-H445 AromaticContact NE2-ND1 3.78Å
446	A	36.3	Very low	56	Low	27 Å²	27	68.3 Å²	68.3	22%	0.223	37%	0.368	C	S	.	.			trans	-77.1	0	158.4	0	0	0	0	0	107.3	F291 R294 E350 D442	F291-A446 WeakPolarHBondContact CD2-O 3.19Å; R294-A446 PolarHBondContact NE-O 3.23Å; R294-A446 PolarHBondContact NH2-O 3.1Å; R294-A446 VanDerWaalsContact NH2-O 3.14Å; R294-A446 PolarHBondContact NH2-OXT 3.34Å; E350-A446 HydrophobicContact CB-CB 4.22Å; D442-A446 PolarHBondContact O-N 2.84Å

Retrieved 446 of 446 residues in 139.1 ms (Link to these results)

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