A0A087Y3E9_POEFO Loading...

ShKT domain-containing protein

AlphaFold DB , UniProt , Accession A0A087Y3E9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 213 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	L	37.8	Very low	40.8	Very low	222 Å²	222	126.1 Å²	126.1	100%	1.162	73%	0.726	S	S	*	*				0	99.5	0	-64	111.5	0	0	0	106
2	L	32.2	Very low	41.3	Very low	175 Å²	175	126 Å²	126	92%	0.916	71%	0.714	S	S	*	*				-165.4	124.6	66.2	-75.4	125.5	0	0	0	107.6
3	C	33.1	Very low	41.8	Very low	106 Å²	106	123.7 Å²	123.7	72%	0.716	70%	0.698	S	S	*	*			trans	-156.5	52.4	163	-149.2	0	0	0	0	109.9
4	W	33.3	Very low	42.3	Very low	249 Å²	249	124.3 Å²	124.3	94%	0.943	69%	0.694	S	S	*	*			trans	-135.3	33.5	-174.8	-84.5	66.9	0	0	0	112.2
5	C	37.3	Very low	42.7	Very low	124 Å²	124	121.5 Å²	121.5	84%	0.838	69%	0.686	S	S	*	*	S	Bend	trans	-117.5	-2.5	169.7	-89.4	0	0	0	0	114.5
6	S	46.7	Very low	42.8	Very low	71 Å²	71	124.7 Å²	124.7	50%	0.497	68%	0.684	S	S	.	*	S	Bend	trans	-97.5	-14.6	-175.2	40.8	0	0	0	0	114.6	L10	S6-L10 WeakPolarHBondContact O-CD1 3.35Å
7	A	43.4	Very low	42.9	Very low	73 Å²	73	122.6 Å²	122.6	60%	0.603	67%	0.671	S	S	*	*	H	α-helix	trans	-80.3	-34.7	-175.6	0	0	0	0	0	113.9	A11	A7-A11 PolarHBondContact O-N 2.94Å
8	L	44.8	Very low	42.8	Very low	138 Å²	138	119.4 Å²	119.4	72%	0.723	66%	0.659	S	S	*	*	H	α-helix	trans	-70.9	-38.4	177.7	-89.6	103.7	0	0	0	112.4	L10 A11 E12	L8-L10 VanDerWaalsContact C-N 3.28Å; L8-L10 PolarHBondContact O-N 3.37Å; L8-A11 PolarHBondContact O-N 2.95Å; L8-E12 PolarHBondContact O-N 3.03Å; L8-E12 VanDerWaalsContact O-N 3.11Å
9	A	44.5	Very low	42.6	Very low	65 Å²	65	117 Å²	117	54%	0.537	66%	0.656	S	S	.	*	H	α-helix	trans	-65.1	-31.9	177.5	0	0	0	0	0	112.6	L13	A9-L13 VanDerWaalsContact O-CB 3.31Å; A9-L13 WeakPolarHBondContact O-CB 3.32Å; A9-L13 PolarHBondContact O-N 3.22Å; A9-L13 VanDerWaalsContact O-N 3.12Å
10	L	48.6	Very low	42.5	Very low	102 Å²	102	117.6 Å²	117.6	53%	0.534	66%	0.657	S	S	.	*	H	α-helix	trans	-75.3	-36.4	176	-78.7	165.7	0	0	0	112.6	S6 L8 L13 M14	S6-L10 WeakPolarHBondContact O-CD1 3.35Å; L8-L10 VanDerWaalsContact C-N 3.28Å; L8-L10 PolarHBondContact O-N 3.37Å; L10-L13 PolarHBondContact O-N 3.35Å; L10-M14 WeakPolarHBondContact O-CB 3.48Å; L10-M14 VanDerWaalsContact O-CG 3.3Å; L10-M14 WeakPolarHBondContact O-CG 3.15Å; L10-M14 PolarHBondContact O-N 3.43Å
11	A	46.8	Very low	42.1	Very low	62 Å²	62	115.9 Å²	115.9	51%	0.512	65%	0.653	S	S	.	*	H	α-helix	trans	-67.6	-37.4	176.1	0	0	0	0	0	112.1	A7 L8 M14 S15	A7-A11 PolarHBondContact O-N 2.94Å; L8-A11 PolarHBondContact O-N 2.95Å; A11-M14 PolarHBondContact O-N 3.34Å; A11-S15 WeakPolarHBondContact O-CB 2.96Å; A11-S15 PolarHBondContact O-N 3.22Å
12	E	46.7	Very low	42.1	Very low	125 Å²	125	112 Å²	112	58%	0.584	63%	0.634	S	S	*	*	H	α-helix	trans	-75.5	-30.9	178.4	-145.8	157	-162.1	0	0	112.1	L8 R16	L8-E12 PolarHBondContact O-N 3.03Å; L8-E12 VanDerWaalsContact O-N 3.11Å; E12-R16 VanDerWaalsContact O-CG 3.26Å; E12-R16 WeakPolarHBondContact O-CG 3.39Å; E12-R16 PolarHBondContact O-N 3.14Å
13	L	48.3	Very low	42.4	Very low	96 Å²	96	112.1 Å²	112.1	50%	0.503	63%	0.627	S	S	.	*	H	α-helix	trans	-70.3	-41.1	169.4	-165.5	76.9	0	0	0	111.4	A9 L10 R16 I17	A9-L13 VanDerWaalsContact O-CB 3.31Å; A9-L13 WeakPolarHBondContact O-CB 3.32Å; A9-L13 PolarHBondContact O-N 3.22Å; A9-L13 VanDerWaalsContact O-N 3.12Å; L10-L13 PolarHBondContact O-N 3.35Å; L13-R16 CarbonylContact O-C 3.6Å; L13-R16 PolarHBondContact O-N 2.87Å; L13-I17 HydrophobicContact CD2-CD1 4.29Å; L13-I17 HydrophobicContact CG-CD1 3.96Å; L13-I17 WeakPolarHBondContact O-CB 3.18Å; L13-I17 WeakPolarHBondContact O-CD1 3.07Å; L13-I17 WeakPolarHBondContact O-CG1 3.48Å; L13-I17 PolarHBondContact O-N 3.45Å
14	M	49	Very low	42.7	Very low	132 Å²	132	113.1 Å²	113.1	65%	0.65	63%	0.63	S	S	*	*	H	α-helix	trans	-71.3	-32.1	177.3	-72	-142.6	-76.8	0	0	113	L10 A11 R16 I17 S18	L10-M14 WeakPolarHBondContact O-CB 3.48Å; L10-M14 VanDerWaalsContact O-CG 3.3Å; L10-M14 WeakPolarHBondContact O-CG 3.15Å; L10-M14 PolarHBondContact O-N 3.43Å; A11-M14 PolarHBondContact O-N 3.34Å; M14-R16 VanDerWaalsContact C-N 3.29Å; M14-R16 PolarHBondContact O-N 2.91Å; M14-I17 PolarHBondContact O-N 3.37Å; M14-S18 PolarHBondContact O-N 2.87Å; M14-S18 PolarHBondContact O-OG 3.37Å
15	S	47.6	Very low	43.1	Very low	82 Å²	82	102.7 Å²	102.7	57%	0.573	60%	0.6	S	S	*	*	H	α-helix	trans	-69.6	-24.6	169.8	-172.8	0	0	0	0	113.1	A11 S18	A11-S15 WeakPolarHBondContact O-CB 2.96Å; A11-S15 PolarHBondContact O-N 3.22Å; S15-S18 WeakPolarHBondContact CA-OG 3.37Å; S15-S18 PolarHBondContact O-OG 3.43Å; S15-S18 VanDerWaalsContact O-OG 3.11Å
16	R	44.8	Very low	43.6	Very low	173 Å²	173	99.5 Å²	99.5	65%	0.653	58%	0.582	S	S	*	*	H	α-helix	trans	-82.6	-29.7	171.5	-73.8	174.7	-176	-102.2	1.8	112.2	E12 L13 M14 A19 L20	E12-R16 VanDerWaalsContact O-CG 3.26Å; E12-R16 WeakPolarHBondContact O-CG 3.39Å; E12-R16 PolarHBondContact O-N 3.14Å; L13-R16 CarbonylContact O-C 3.6Å; L13-R16 PolarHBondContact O-N 2.87Å; M14-R16 VanDerWaalsContact C-N 3.29Å; M14-R16 PolarHBondContact O-N 2.91Å; R16-A19 PolarHBondContact O-N 2.94Å; R16-L20 WeakPolarHBondContact O-CG 2.91Å; R16-L20 PolarHBondContact O-N 2.95Å
17	I	45	Very low	44	Very low	90 Å²	90	98.9 Å²	98.9	46%	0.462	58%	0.582	S	S	.	*	H	α-helix	trans	-74.9	-35.1	176.3	-69.7	163.4	0	0	0	111.3	L13 M14 A19 L20 S21	L13-I17 HydrophobicContact CD2-CD1 4.29Å; L13-I17 HydrophobicContact CG-CD1 3.96Å; L13-I17 WeakPolarHBondContact O-CB 3.18Å; L13-I17 WeakPolarHBondContact O-CD1 3.07Å; L13-I17 WeakPolarHBondContact O-CG1 3.48Å; L13-I17 PolarHBondContact O-N 3.45Å; M14-I17 PolarHBondContact O-N 3.37Å; I17-A19 PolarHBondContact O-N 3.16Å; I17-L20 WeakPolarHBondContact O-CA 3.33Å; I17-L20 PolarHBondContact O-N 3.02Å; I17-S21 PolarHBondContact O-N 2.03Å; I17-S21 VanDerWaalsContact O-N 3.1Å
18	S	39.6	Very low	44.9	Very low	64 Å²	64	106.5 Å²	106.5	45%	0.448	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.2	-26.4	171.5	51.1	0	0	0	0	113.1	M14 S15 L20 S21	M14-S18 PolarHBondContact O-N 2.87Å; M14-S18 PolarHBondContact O-OG 3.37Å; S15-S18 WeakPolarHBondContact CA-OG 3.37Å; S15-S18 PolarHBondContact O-OG 3.43Å; S15-S18 VanDerWaalsContact O-OG 3.11Å; S18-L20 VanDerWaalsContact C-N 3.29Å; S18-S21 WeakPolarHBondContact CA-OG 3.4Å; S18-S21 PolarHBondContact O-OG 3.43Å
19	A	39.7	Very low	46.2	Very low	74 Å²	74	100.3 Å²	100.3	61%	0.612	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-12.8	169.9	0	0	0	0	0	113.6	R16 I17	R16-A19 PolarHBondContact O-N 2.94Å; I17-A19 PolarHBondContact O-N 3.16Å
20	L	39.9	Very low	48	Very low	128 Å²	128	100.8 Å²	100.8	67%	0.67	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	-13.8	176.8	-71.4	164.9	0	0	0	112.7	R16 I17 S18 D22	R16-L20 WeakPolarHBondContact O-CG 2.91Å; R16-L20 PolarHBondContact O-N 2.95Å; I17-L20 WeakPolarHBondContact O-CA 3.33Å; I17-L20 PolarHBondContact O-N 3.02Å; S18-L20 VanDerWaalsContact C-N 3.29Å; L20-D22 VanDerWaalsContact C-N 3.34Å
21	S	35.1	Very low	49.6	Very low	83 Å²	83	102.6 Å²	102.6	58%	0.58	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-7.4	175.4	50.7	0	0	0	0	114.7	I17 S18 F23	I17-S21 PolarHBondContact O-N 2.03Å; I17-S21 VanDerWaalsContact O-N 3.1Å; S18-S21 WeakPolarHBondContact CA-OG 3.4Å; S18-S21 PolarHBondContact O-OG 3.43Å; S21-F23 VanDerWaalsContact C-N 3.34Å
22	D	37.4	Very low	51.4	Low	141 Å²	141	104.1 Å²	104.1	75%	0.754	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	4.2	171.9	-84.3	-18.3	0	0	0	113.5	L20 T24	L20-D22 VanDerWaalsContact C-N 3.34Å; D22-T24 PolarHBondContact O-N 3.48Å
23	F	39	Very low	53.1	Low	177 Å²	177	100.9 Å²	100.9	78%	0.776	56%	0.556	S	S	*	*			trans	-84.6	54.3	175.1	-146.6	-94.9	0	0	0	111.8	S21 G25	S21-F23 VanDerWaalsContact C-N 3.34Å; F23-G25 PolarHBondContact O-N 3.42Å; F23-G25 VanDerWaalsContact O-N 3.08Å
24	T	39.7	Very low	54.9	Low	126 Å²	126	98 Å²	98	77%	0.773	54%	0.54	S	S	*	.			trans	-78.9	83.2	157.9	48	0	0	0	0	106.8	D22 A26	D22-T24 PolarHBondContact O-N 3.48Å; T24-A26 VanDerWaalsContact C-N 3.32Å; T24-A26 PolarHBondContact O-N 3.4Å
25	G	40.4	Very low	56.7	Low	30 Å²	30	93.8 Å²	93.8	31%	0.309	53%	0.527	S	S	.	.			trans	-62.4	76.8	-164.7	0	0	0	0	0	115.7	F23 Y136	F23-G25 PolarHBondContact O-N 3.42Å; F23-G25 VanDerWaalsContact O-N 3.08Å; G25-Y136 PolarHBondContact O-N 3.26Å
26	A	48.7	Very low	58.7	Low	58 Å²	58	94.1 Å²	94.1	48%	0.479	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115	145.2	0	0	0	0	0	108.4	T24 R28 V134	T24-A26 VanDerWaalsContact C-N 3.32Å; T24-A26 PolarHBondContact O-N 3.4Å; A26-R28 PolarHBondContact O-N 3.19Å; A26-R28 VanDerWaalsContact O-N 3.14Å; A26-V134 CarbonylContact C-O 3.5Å; A26-V134 WeakPolarHBondContact CA-O 3.31Å
27	A	55	Low	60.7	Low	58 Å²	58	85.9 Å²	85.9	48%	0.479	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	117.7	169.2	0	0	0	0	0	107.2	V134	A27-V134 HydrophobicContact CB-CB 4.02Å; A27-V134 HydrophobicContact CB-CG1 4.26Å; A27-V134 HydrophobicContact CB-CG2 4.48Å; A27-V134 PolarHBondContact N-O 2.86Å; A27-V134 WeakPolarHBondContact O-CB 2.97Å
28	R	62.8	Low	62.7	Low	232 Å²	232	82.4 Å²	82.4	88%	0.875	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-70.2	132.4	171.4	-89.9	-177.6	-178.7	167.2	1.2	108.3	A26	A26-R28 PolarHBondContact O-N 3.19Å; A26-R28 VanDerWaalsContact O-N 3.14Å
29	T	71.6	Confident	65.2	Low	9 Å²	9	83.8 Å²	83.8	6%	0.055	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-55.9	138.6	166.5	35.6	0	0	0	0	111	E33 Q34 I37 W59 W90 C132	T29-E33 HydrophobicContact CG2-CB 4.24Å; T29-Q34 PolarHBondContact O-NE2 2.52Å; T29-I37 HydrophobicContact CG2-CD1 4.42Å; T29-W59 HydrophobicContact CG2-CH2 4.5Å; T29-W59 VanDerWaalsContact OG1-CH2 3.3Å; T29-W59 WeakPolarHBondContact OG1-CH2 3.36Å; T29-W59 VanDerWaalsContact OG1-CZ2 3.23Å; T29-W59 WeakPolarHBondContact OG1-CZ2 3.36Å; T29-W90 HydrophobicContact CG2-CH2 3.88Å; T29-W90 HydrophobicContact CG2-CZ2 3.33Å; T29-C132 WeakPolarHBondContact CG2-SG 3.45Å
30	T	81.4	Confident	67.7	Low	75 Å²	75	83.6 Å²	83.6	46%	0.46	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-67.7	156.9	172.8	64.3	0	0	0	0	110.6	T32 E33 Q34	T30-T32 PolarHBondContact O-N 3.38Å; T30-E33 WeakPolarHBondContact CB-OE2 3.45Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.25Å; T30-E33 PolarHBondContact N-OE2 3.37Å; T30-E33 PolarHBondContact O-N 3.41Å; T30-E33 VanDerWaalsContact O-N 3.12Å; T30-E33 VanDerWaalsContact OG1-CG 3.25Å; T30-E33 WeakPolarHBondContact OG1-CG 3.28Å; T30-E33 PolarHBondContact OG1-N 3.18Å; T30-E33 PolarHBondContact OG1-OE2 2.95Å; T30-Q34 WeakPolarHBondContact O-CG 3.44Å; T30-Q34 PolarHBondContact O-N 3.23Å
31	L	82.6	Confident	70.2	Confident	140 Å²	140	77.5 Å²	77.5	73%	0.733	43%	0.425	S	S	*	.	H	α-helix	trans	-57.1	-33.9	177.1	-67	174.9	0	0	0	112.6	Q34 A35	L31-Q34 PolarHBondContact O-N 3.47Å; L31-A35 PolarHBondContact O-N 2.03Å
32	T	84.9	Confident	72.9	Confident	93 Å²	93	74 Å²	74	57%	0.571	40%	0.4	S	S	*	.	H	α-helix	trans	-64.5	-49.1	175.3	-52.7	0	0	0	0	111.2	T30 Q34 A35 E36	T30-T32 PolarHBondContact O-N 3.38Å; T32-Q34 VanDerWaalsContact C-N 3.3Å; T32-Q34 PolarHBondContact O-N 3.33Å; T32-A35 PolarHBondContact O-N 3.22Å; T32-E36 WeakPolarHBondContact O-CG 3.06Å; T32-E36 PolarHBondContact O-N 3.4Å
33	E	83.6	Confident	75.5	Confident	57 Å²	57	72.4 Å²	72.4	27%	0.266	39%	0.388	S	S	.	.	H	α-helix	trans	-62.6	-38.2	177.1	-69.6	166.4	120.4	0	0	111.9	T29 T30 A35 E36 I37 W90	T29-E33 HydrophobicContact CG2-CB 4.24Å; T30-E33 WeakPolarHBondContact CB-OE2 3.45Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.25Å; T30-E33 PolarHBondContact N-OE2 3.37Å; T30-E33 PolarHBondContact O-N 3.41Å; T30-E33 VanDerWaalsContact O-N 3.12Å; T30-E33 VanDerWaalsContact OG1-CG 3.25Å; T30-E33 WeakPolarHBondContact OG1-CG 3.28Å; T30-E33 PolarHBondContact OG1-N 3.18Å; T30-E33 PolarHBondContact OG1-OE2 2.95Å; E33-A35 VanDerWaalsContact C-N 3.35Å; E33-A35 PolarHBondContact O-N 3.33Å; E33-E36 PolarHBondContact O-N 3.21Å; E33-I37 VanDerWaalsContact O-CB 3.32Å; E33-I37 WeakPolarHBondContact O-CB 2.98Å; E33-I37 WeakPolarHBondContact O-CD1 3.24Å; E33-I37 WeakPolarHBondContact O-CG1 3.13Å; E33-I37 PolarHBondContact O-N 3.02Å; E33-W90 PolarHBondContact OE1-NE1 3.17Å
34	Q	85.3	Confident	78.1	Confident	35 Å²	35	64.6 Å²	64.6	16%	0.164	35%	0.354	C	S	.	.	H	α-helix	trans	-60.5	-44.7	175.8	-65.6	174.4	17.8	0	0	111.6	T29 T30 L31 T32 V38 W59	T29-Q34 PolarHBondContact O-NE2 2.52Å; T30-Q34 WeakPolarHBondContact O-CG 3.44Å; T30-Q34 PolarHBondContact O-N 3.23Å; L31-Q34 PolarHBondContact O-N 3.47Å; T32-Q34 VanDerWaalsContact C-N 3.3Å; T32-Q34 PolarHBondContact O-N 3.33Å; Q34-V38 WeakPolarHBondContact O-CG2 3.25Å; Q34-V38 PolarHBondContact O-N 3.5Å; Q34-V38 VanDerWaalsContact O-N 3.08Å; Q34-W59 HydrophobicContact CB-CD2 3.69Å; Q34-W59 HydrophobicContact CB-CE3 3.8Å; Q34-W59 HydrophobicContact CB-CG 4.04Å; Q34-W59 HydrophobicContact CB-CZ2 4.47Å; Q34-W59 HydrophobicContact CB-CZ3 4.23Å; Q34-W59 VanDerWaalsContact CD-CE2 3.46Å; Q34-W59 VanDerWaalsContact CD-NE1 3.29Å; Q34-W59 HydrophobicContact CG-CD2 3.6Å; Q34-W59 HydrophobicContact CG-CE3 3.91Å; Q34-W59 HydrophobicContact CG-CG 4.18Å; Q34-W59 HydrophobicContact CG-CH2 3.82Å; Q34-W59 HydrophobicContact CG-CZ2 3.53Å; Q34-W59 HydrophobicContact CG-CZ3 4.01Å; Q34-W59 VanDerWaalsContact OE1-CD1 3.24Å
35	A	86.8	Confident	80.7	Confident	45 Å²	45	58.6 Å²	58.6	37%	0.372	32%	0.317	S	S	.	.	H	α-helix	trans	-64.5	-48.7	175.9	0	0	0	0	0	111.3	L31 T32 E33 I37 V38 D39	L31-A35 PolarHBondContact O-N 2.03Å; T32-A35 PolarHBondContact O-N 3.22Å; E33-A35 VanDerWaalsContact C-N 3.35Å; E33-A35 PolarHBondContact O-N 3.33Å; A35-I37 VanDerWaalsContact C-N 3.27Å; A35-I37 PolarHBondContact O-N 2.79Å; A35-V38 PolarHBondContact O-N 2.88Å; A35-V38 VanDerWaalsContact O-N 3.12Å; A35-D39 WeakPolarHBondContact O-CB 3.26Å; A35-D39 VanDerWaalsContact O-CG 3.25Å; A35-D39 PolarHBondContact O-N 3.37Å
36	E	88.6	Confident	83	Confident	89 Å²	89	62.2 Å²	62.2	42%	0.416	33%	0.326	S	S	.	.	H	α-helix	trans	-56.4	-41.9	177.5	-73.8	175.9	-175.7	0	0	112.3	T32 E33 R40 T91	T32-E36 WeakPolarHBondContact O-CG 3.06Å; T32-E36 PolarHBondContact O-N 3.4Å; E33-E36 PolarHBondContact O-N 3.21Å; E36-R40 WeakPolarHBondContact O-CB 3.4Å; E36-R40 PolarHBondContact O-N 2.98Å; E36-T91 HydrophobicContact CB-CG2 4.29Å
37	I	86.8	Confident	85.1	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-53.4	175.2	-77.5	165.1	0	0	0	110.9	T29 E33 A35 H41 W59 W90 I130 C132 W144	T29-I37 HydrophobicContact CG2-CD1 4.42Å; E33-I37 VanDerWaalsContact O-CB 3.32Å; E33-I37 WeakPolarHBondContact O-CB 2.98Å; E33-I37 WeakPolarHBondContact O-CD1 3.24Å; E33-I37 WeakPolarHBondContact O-CG1 3.13Å; E33-I37 PolarHBondContact O-N 3.02Å; A35-I37 VanDerWaalsContact C-N 3.27Å; A35-I37 PolarHBondContact O-N 2.79Å; I37-H41 PolarHBondContact O-N 3.02Å; I37-H41 PolarHBondContact O-ND1 3.18Å; I37-W59 HydrophobicContact CB-CZ3 4.33Å; I37-W59 HydrophobicContact CD1-CH2 4.28Å; I37-W59 HydrophobicContact CD1-CZ3 3.79Å; I37-W59 HydrophobicContact CG2-CE3 4.33Å; I37-W59 HydrophobicContact CG2-CZ3 3.97Å; I37-W90 HydrophobicContact CD1-CB 4.03Å; I37-W90 HydrophobicContact CD1-CD2 3.77Å; I37-W90 HydrophobicContact CD1-CE3 3.93Å; I37-W90 HydrophobicContact CD1-CG 3.84Å; I37-W90 HydrophobicContact CG1-CB 3.56Å; I37-W90 HydrophobicContact CG1-CD2 4.32Å; I37-W90 HydrophobicContact CG1-CG 3.94Å; I37-I130 HydrophobicContact CG2-CD1 4.22Å; I37-I130 HydrophobicContact CG2-CG2 3.98Å; I37-C132 VanDerWaalsContact CD1-SG 3.58Å; I37-W144 HydrophobicContact CB-CH2 4.24Å; I37-W144 HydrophobicContact CB-CZ3 4.22Å; I37-W144 HydrophobicContact CD1-CH2 4.25Å; I37-W144 HydrophobicContact CD1-CZ3 4.47Å; I37-W144 HydrophobicContact CG1-CH2 3.68Å; I37-W144 HydrophobicContact CG1-CZ2 4.34Å; I37-W144 HydrophobicContact CG1-CZ3 4.06Å; I37-W144 HydrophobicContact CG2-CE3 4.18Å; I37-W144 HydrophobicContact CG2-CH2 3.81Å; I37-W144 HydrophobicContact CG2-CZ3 3.31Å
38	V	88.9	Confident	86.7	Confident	16 Å²	16	64 Å²	64	10%	0.097	32%	0.315	C	S	.	.	H	α-helix	trans	-65.1	-46	-175.8	166.6	0	0	0	0	110.8	Q34 A35 H41 N42 M57 W59 I130	Q34-V38 WeakPolarHBondContact O-CG2 3.25Å; Q34-V38 PolarHBondContact O-N 3.5Å; Q34-V38 VanDerWaalsContact O-N 3.08Å; A35-V38 PolarHBondContact O-N 2.88Å; A35-V38 VanDerWaalsContact O-N 3.12Å; V38-H41 PolarHBondContact O-N 3.37Å; V38-N42 WeakPolarHBondContact CG1-ND2 3.35Å; V38-N42 PolarHBondContact O-N 2.89Å; V38-N42 PolarHBondContact O-ND2 2.71Å; V38-N42 VanDerWaalsContact O-ND2 3.14Å; V38-M57 VanDerWaalsContact CG1-O 3.25Å; V38-M57 WeakPolarHBondContact CG1-O 3.29Å; V38-W59 HydrophobicContact CG2-CB 3.91Å; V38-W59 HydrophobicContact CG2-CE3 4.29Å; V38-I130 HydrophobicContact CG2-CG2 3.89Å
39	D	91.2	Very high	88.1	Confident	93 Å²	93	55.2 Å²	55.2	50%	0.497	29%	0.288	S	S	.	.	H	α-helix	trans	-63	-46.2	-179.4	-69.8	-18.3	0	0	0	110.2	A35 H41 N42 E43	A35-D39 WeakPolarHBondContact O-CB 3.26Å; A35-D39 VanDerWaalsContact O-CG 3.25Å; A35-D39 PolarHBondContact O-N 3.37Å; D39-H41 VanDerWaalsContact C-N 3.31Å; D39-H41 PolarHBondContact O-N 2.82Å; D39-N42 PolarHBondContact O-N 3.08Å; D39-N42 VanDerWaalsContact O-N 3.13Å; D39-E43 WeakPolarHBondContact O-CG 3.5Å; D39-E43 PolarHBondContact O-N 3.33Å
40	R	92.1	Very high	89	Confident	70 Å²	70	57.2 Å²	57.2	26%	0.264	30%	0.3	S	S	.	.	H	α-helix	trans	-60.5	-40.8	176.8	-174.7	52.4	172	-178	-3.9	112.5	E36 E43 L44 T91 A94	E36-R40 WeakPolarHBondContact O-CB 3.4Å; E36-R40 PolarHBondContact O-N 2.98Å; R40-E43 WeakPolarHBondContact CD-OE2 3.3Å; R40-E43 IonicContact CZ-OE2 3.83Å; R40-E43 IonicContact NH1-OE2 2.77Å; R40-E43 PolarHBondContact NH1-OE2 2.86Å; R40-E43 PolarHBondContact O-N 2.9Å; R40-L44 HydrophobicContact CG-CD1 4.01Å; R40-L44 VanDerWaalsContact O-CG 3.24Å; R40-L44 WeakPolarHBondContact O-CG 3.34Å; R40-L44 PolarHBondContact O-N 3.5Å; R40-T91 HydrophobicContact CB-CG2 4.17Å; R40-T91 HydrophobicContact CG-CG2 4.35Å; R40-A94 HydrophobicContact CG-CB 3.85Å
41	H	92.1	Very high	89.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-42.2	176	-82.8	73.1	0	0	0	112.3	I37 V38 D39 E43 L44 R45 M57 A94 W144 Y146	I37-H41 PolarHBondContact O-N 3.02Å; I37-H41 PolarHBondContact O-ND1 3.18Å; V38-H41 PolarHBondContact O-N 3.37Å; D39-H41 VanDerWaalsContact C-N 3.31Å; D39-H41 PolarHBondContact O-N 2.82Å; H41-E43 VanDerWaalsContact C-N 3.34Å; H41-L44 PolarHBondContact O-N 2.9Å; H41-R45 WeakPolarHBondContact O-CB 3.46Å; H41-R45 WeakPolarHBondContact O-CD 3.28Å; H41-R45 WeakPolarHBondContact O-CG 3.32Å; H41-R45 PolarHBondContact O-N 3.27Å; H41-M57 HydrophobicContact CB-CB 4.37Å; H41-M57 HydrophobicContact CB-CE 3.55Å; H41-M57 HydrophobicContact CB-CG 4.39Å; H41-M57 WeakPolarHBondContact CD2-CE 2.9Å; H41-A94 VanDerWaalsContact CE1-CB 3.44Å; H41-A94 WeakPolarHBondContact CE1-CB 3.39Å; H41-W144 AromaticContact CE1-CH2 3.59Å; H41-W144 AromaticContact CE1-CZ3 3.11Å; H41-W144 WeakPolarHBondContact CE1-CZ3 3.49Å; H41-W144 AromaticContact ND1-CZ3 3.82Å; H41-W144 AromaticContact NE2-CZ3 3.91Å; H41-Y146 AromaticContact CD2-CE1 3.81Å; H41-Y146 AromaticContact NE2-CE1 3.81Å; H41-Y146 AromaticContact NE2-CZ 3.66Å; H41-Y146 PolarHBondContact NE2-OH 3.04Å
42	N	91.6	Very high	89.5	Confident	11 Å²	11	47.3 Å²	47.3	6%	0.059	25%	0.246	C	C	.	.	H	α-helix	trans	-66.9	-34.8	178.1	-73.4	-40.2	0	0	0	112.2	V38 D39 R45 H46 M57 P174	V38-N42 WeakPolarHBondContact CG1-ND2 3.35Å; V38-N42 PolarHBondContact O-N 2.89Å; V38-N42 PolarHBondContact O-ND2 2.71Å; V38-N42 VanDerWaalsContact O-ND2 3.14Å; D39-N42 PolarHBondContact O-N 3.08Å; D39-N42 VanDerWaalsContact O-N 3.13Å; N42-R45 PolarHBondContact O-N 3.14Å; N42-H46 PolarHBondContact O-CE1 3.28Å; N42-H46 VanDerWaalsContact O-CE1 3.31Å; N42-H46 PolarHBondContact O-ND1 3.49Å; N42-M57 PolarHBondContact ND2-O 1.98Å; N42-M57 WeakPolarHBondContact OD1-CB 3.37Å; N42-M57 PolarHBondContact OD1-N 3.26Å; N42-P174 HydrophobicContact CB-CG 4.23Å
43	E	92.7	Very high	89.5	Confident	106 Å²	106	43.7 Å²	43.7	50%	0.495	22%	0.222	S	C	.	.	H	α-helix	trans	-61	-51.8	170.5	-72.9	174.6	176.6	0	0	111.5	D39 R40 H41 R45 H46	D39-E43 WeakPolarHBondContact O-CG 3.5Å; D39-E43 PolarHBondContact O-N 3.33Å; R40-E43 WeakPolarHBondContact CD-OE2 3.3Å; R40-E43 IonicContact CZ-OE2 3.83Å; R40-E43 IonicContact NH1-OE2 2.77Å; R40-E43 PolarHBondContact NH1-OE2 2.86Å; R40-E43 PolarHBondContact O-N 2.9Å; H41-E43 VanDerWaalsContact C-N 3.34Å; E43-R45 PolarHBondContact O-N 3.46Å; E43-H46 WeakPolarHBondContact O-CB 3.04Å; E43-H46 PolarHBondContact O-N 3.04Å; E43-H46 PolarHBondContact O-ND1 3.41Å
44	L	94.2	Very high	89.7	Confident	14 Å²	14	41 Å²	41	7%	0.073	21%	0.21	C	C	.	.	H	α-helix	trans	-64.2	-22	-179.1	-66.5	169.7	0	0	0	113.3	R40 H41 H46 A94 Q95 Y98 V122	R40-L44 HydrophobicContact CG-CD1 4.01Å; R40-L44 VanDerWaalsContact O-CG 3.24Å; R40-L44 WeakPolarHBondContact O-CG 3.34Å; R40-L44 PolarHBondContact O-N 3.5Å; H41-L44 PolarHBondContact O-N 2.9Å; L44-H46 PolarHBondContact O-N 3.12Å; L44-A94 HydrophobicContact CD1-CB 3.89Å; L44-Q95 VanDerWaalsContact CD2-OE1 3.27Å; L44-Y98 HydrophobicContact CB-CD2 3.77Å; L44-Y98 HydrophobicContact CB-CE2 4.17Å; L44-Y98 HydrophobicContact CB-CG 4.24Å; L44-Y98 HydrophobicContact CD1-CG 4.45Å; L44-Y98 HydrophobicContact CD2-CD1 3.89Å; L44-Y98 HydrophobicContact CD2-CD2 4.07Å; L44-Y98 HydrophobicContact CD2-CE1 4.39Å; L44-Y98 HydrophobicContact CD2-CG 3.71Å; L44-Y98 HydrophobicContact CG-CD2 4.36Å; L44-Y98 HydrophobicContact CG-CG 4.34Å; L44-Y98 WeakPolarHBondContact O-CE2 3.37Å; L44-V122 HydrophobicContact CB-CG1 4.13Å; L44-V122 HydrophobicContact CD1-CG1 4.43Å
45	R	92.9	Very high	89.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	0.8	175.3	-78	172.2	84.3	86.4	-7.5	113.6	H41 N42 E43 V47 L54 L55 V122 W124 S127 P174	H41-R45 WeakPolarHBondContact O-CB 3.46Å; H41-R45 WeakPolarHBondContact O-CD 3.28Å; H41-R45 WeakPolarHBondContact O-CG 3.32Å; H41-R45 PolarHBondContact O-N 3.27Å; N42-R45 PolarHBondContact O-N 3.14Å; E43-R45 PolarHBondContact O-N 3.46Å; R45-V47 VanDerWaalsContact C-N 3.32Å; R45-V47 PolarHBondContact O-N 2.63Å; R45-V47 VanDerWaalsContact O-N 3.09Å; R45-L54 HydrophobicContact CB-CD2 3.45Å; R45-L54 VanDerWaalsContact CB-CD2 3.45Å; R45-L54 HydrophobicContact CG-CD2 3.79Å; R45-L54 WeakPolarHBondContact O-CD2 3.46Å; R45-L55 PolarHBondContact NE-O 3.3Å; R45-L55 PolarHBondContact NH2-O 2.94Å; R45-V122 PolarHBondContact NH1-O 2.93Å; R45-W124 PolarHBondContact NH1-O 3.19Å; R45-W124 PolarHBondContact NH2-O 3.49Å; R45-S127 PolarHBondContact NH2-O 3.18Å; R45-P174 HydrophobicContact CB-CG 3.93Å
46	H	89.9	Confident	89.7	Confident	106 Å²	106	42 Å²	42	49%	0.491	21%	0.206	S	C	.	.			trans	-80.8	76.6	165.7	-64.7	79.5	0	0	0	111.2	N42 E43 L44 N173	N42-H46 PolarHBondContact O-CE1 3.28Å; N42-H46 VanDerWaalsContact O-CE1 3.31Å; N42-H46 PolarHBondContact O-ND1 3.49Å; E43-H46 WeakPolarHBondContact O-CB 3.04Å; E43-H46 PolarHBondContact O-N 3.04Å; E43-H46 PolarHBondContact O-ND1 3.41Å; L44-H46 PolarHBondContact O-N 3.12Å; H46-N173 PolarHBondContact CD2-ND2 2.8Å; H46-N173 PolarHBondContact NE2-ND2 3.46Å
47	V	91.1	Very high	89.7	Confident	6 Å²	6	38 Å²	38	4%	0.036	19%	0.187	C	C	.	.			trans	-92.7	164.7	-169	-64.8	0	0	0	0	114.7	R45 T51 Y98 V123 Y158	R45-V47 VanDerWaalsContact C-N 3.32Å; R45-V47 PolarHBondContact O-N 2.63Å; R45-V47 VanDerWaalsContact O-N 3.09Å; V47-T51 HydrophobicContact CG2-CG2 3.91Å; V47-Y98 HydrophobicContact CG1-CE2 4.37Å; V47-V123 HydrophobicContact CG1-CB 3.98Å; V47-V123 HydrophobicContact CG1-CG1 3.49Å; V47-V123 VanDerWaalsContact CG1-CG1 3.49Å; V47-Y158 HydrophobicContact CB-CE1 4.15Å; V47-Y158 HydrophobicContact CG1-CE1 4.31Å; V47-Y158 HydrophobicContact CG2-CD1 4.27Å; V47-Y158 HydrophobicContact CG2-CD2 4.49Å; V47-Y158 HydrophobicContact CG2-CE1 3.71Å; V47-Y158 HydrophobicContact CG2-CE2 3.95Å
48	Q	89.5	Confident	89.8	Confident	148 Å²	148	39.3 Å²	39.3	69%	0.692	20%	0.201	S	C	*	.	S	Bend	trans	-123.7	134.3	166.3	-69.3	-65.7	-14.2	0	0	110.4	Y158	Q48-Y158 PolarHBondContact O-OH 2.69Å
49	P	92.8	Very high	89.6	Confident	47 Å²	47	41.5 Å²	41.5	31%	0.305	21%	0.208	S	C	.	.	S	Bend	cis	-61.3	157	-7	30.4	-37.2	0	0	0	111.8	Y106 Y158 S160	P49-Y106 HydrophobicContact CG-CD1 4.1Å; P49-Y106 HydrophobicContact CG-CD2 4.21Å; P49-Y106 HydrophobicContact CG-CG 3.85Å; P49-Y158 WeakPolarHBondContact CD-OH 3.42Å; P49-Y158 HydrophobicContact CG-CE2 4.46Å; P49-Y158 WeakPolarHBondContact O-CE2 3.3Å; P49-Y158 PolarHBondContact O-OH 3.23Å; P49-S160 WeakPolarHBondContact CB-OG 3.39Å
50	T	90.7	Very high	89.1	Confident	51 Å²	51	39 Å²	39	31%	0.313	19%	0.194	S	C	.	.			trans	-59.6	157.9	179	57.5	0	0	0	0	111.3	S160 G161	T50-S160 VanDerWaalsContact O-CA 3.29Å; T50-S160 WeakPolarHBondContact O-CA 3.4Å; T50-S160 PolarHBondContact O-OG 3.49Å; T50-G161 CarbonylContact C-O 3.15Å; T50-G161 WeakPolarHBondContact CB-O 3.25Å; T50-G161 PolarHBondContact O-N 3.36Å; T50-G161 VanDerWaalsContact O-O 3.1Å; T50-G161 PolarHBondContact OG1-O 2.76Å
51	T	88.1	Confident	88.2	Confident	3 Å²	3	39.5 Å²	39.5	2%	0.018	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-122.6	139.9	-170.1	178.5	0	0	0	0	112	V47 L54 K159 G161 T163 C164	V47-T51 HydrophobicContact CG2-CG2 3.91Å; T51-L54 HydrophobicContact CG2-CB 3.41Å; T51-L54 VanDerWaalsContact CG2-CB 3.41Å; T51-L54 HydrophobicContact CG2-CD2 3.9Å; T51-L54 HydrophobicContact CG2-CG 4.21Å; T51-K159 WeakPolarHBondContact CA-O 3.3Å; T51-K159 PolarHBondContact OG1-O 3.02Å; T51-G161 PolarHBondContact N-O 3.34Å; T51-T163 VanDerWaalsContact O-CA 3.29Å; T51-T163 WeakPolarHBondContact O-CA 3.28Å; T51-C164 PolarHBondContact O-N 2.76Å
52	S	85.8	Confident	86.9	Confident	4 Å²	4	45.9 Å²	45.9	3%	0.028	24%	0.238	C	C	.	.	S	Bend	trans	-91.6	-19.2	179.3	61.9	0	0	0	0	114.3	K159 P162 G165 E166 C167	S52-K159 PolarHBondContact N-O 3.45Å; S52-K159 PolarHBondContact OG-O 2.71Å; S52-P162 VanDerWaalsContact CA-O 3.28Å; S52-P162 WeakPolarHBondContact CA-O 3.21Å; S52-G165 PolarHBondContact O-N 3Å; S52-E166 WeakPolarHBondContact O-CA 3.25Å; S52-E166 WeakPolarHBondContact O-CB 3.43Å; S52-E166 PolarHBondContact O-N 3.19Å; S52-C167 PolarHBondContact O-SG 3.47Å
53	N	84.9	Confident	85.2	Confident	16 Å²	16	45.4 Å²	45.4	9%	0.086	24%	0.236	C	C	.	.	S	Bend	trans	-135.3	16	-163.4	74.7	-22.8	0	0	0	115	L55 Y125 K159 E166	N53-L55 PolarHBondContact O-N 2.96Å; N53-Y125 WeakPolarHBondContact ND2-CD2 3.23Å; N53-K159 WeakPolarHBondContact OD1-CB 3.23Å; N53-K159 PolarHBondContact OD1-N 3.18Å; N53-E166 HydrophobicContact CB-CB 4.26Å; N53-E166 WeakPolarHBondContact CB-OE2 3.5Å
54	L	87.3	Confident	83.5	Confident	1 Å²	1	43 Å²	43	1%	0.005	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-77.6	116.3	-175	-161.1	75	0	0	0	111.2	R45 T51 V123 Y158 P174 C175	R45-L54 HydrophobicContact CB-CD2 3.45Å; R45-L54 VanDerWaalsContact CB-CD2 3.45Å; R45-L54 HydrophobicContact CG-CD2 3.79Å; R45-L54 WeakPolarHBondContact O-CD2 3.46Å; T51-L54 HydrophobicContact CG2-CB 3.41Å; T51-L54 VanDerWaalsContact CG2-CB 3.41Å; T51-L54 HydrophobicContact CG2-CD2 3.9Å; T51-L54 HydrophobicContact CG2-CG 4.21Å; L54-V123 WeakPolarHBondContact CD1-O 3.37Å; L54-Y158 HydrophobicContact CD1-CD1 4.38Å; L54-Y158 HydrophobicContact CD1-CG 4.38Å; L54-P174 WeakPolarHBondContact O-CB 3.21Å; L54-C175 WeakPolarHBondContact O-CB 3.17Å; L54-C175 PolarHBondContact O-N 3.37Å; L54-C175 PolarHBondContact O-SG 2.78Å
55	L	86.3	Confident	81.5	Confident	10 Å²	10	46.3 Å²	46.3	5%	0.052	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-71.3	150.2	-178.5	-74.6	173	0	0	0	113.7	R45 N53 Y125 N128 P174 C175 Y177 N178	R45-L55 PolarHBondContact NE-O 3.3Å; R45-L55 PolarHBondContact NH2-O 2.94Å; N53-L55 PolarHBondContact O-N 2.96Å; L55-Y125 VanDerWaalsContact CB-O 3.32Å; L55-Y125 WeakPolarHBondContact CB-O 3.31Å; L55-Y125 WeakPolarHBondContact CG-O 3.24Å; L55-Y125 PolarHBondContact N-O 2.67Å; L55-N128 HydrophobicContact CB-CB 3.69Å; L55-N128 HydrophobicContact CD1-CB 3.77Å; L55-N128 HydrophobicContact CG-CB 4.32Å; L55-P174 WeakPolarHBondContact O-CB 3.34Å; L55-C175 CarbonylContact C-O 3.51Å; L55-C175 WeakPolarHBondContact CA-O 3.23Å; L55-C175 HydrophobicContact CD2-CB 4.42Å; L55-C175 WeakPolarHBondContact CD2-O 3.41Å; L55-Y177 VanDerWaalsContact CD2-C 3.45Å; L55-N178 HydrophobicContact CD1-CB 3.72Å; L55-N178 HydrophobicContact CD2-CB 3.39Å; L55-N178 HydrophobicContact CG-CB 3.79Å
56	K	86.9	Confident	79.5	Confident	91 Å²	91	49.6 Å²	49.6	40%	0.396	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-71.6	128.6	170.4	-163.7	170.9	-179.6	174.8	0	109	P174 C175 L176	K56-P174 HydrophobicContact CB-CB 4.3Å; K56-P174 WeakPolarHBondContact CB-O 3.35Å; K56-C175 PolarHBondContact N-O 3.46Å; K56-L176 HydrophobicContact CB-CD1 4.46Å; K56-L176 HydrophobicContact CD-CD1 3.85Å
57	M	88.5	Confident	77.5	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.02	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-73.1	137	173.4	-152.2	92.2	76.1	0	0	109.4	V38 H41 N42 N128 I130 Y146	V38-M57 VanDerWaalsContact CG1-O 3.25Å; V38-M57 WeakPolarHBondContact CG1-O 3.29Å; H41-M57 HydrophobicContact CB-CB 4.37Å; H41-M57 HydrophobicContact CB-CE 3.55Å; H41-M57 HydrophobicContact CB-CG 4.39Å; H41-M57 WeakPolarHBondContact CD2-CE 2.9Å; N42-M57 PolarHBondContact ND2-O 1.98Å; N42-M57 WeakPolarHBondContact OD1-CB 3.37Å; N42-M57 PolarHBondContact OD1-N 3.26Å; M57-N128 CarbonylContact C-O 3.14Å; M57-N128 WeakPolarHBondContact CA-O 3.3Å; M57-I130 HydrophobicContact CE-CD1 4.31Å; M57-I130 HydrophobicContact CG-CB 3.96Å; M57-I130 HydrophobicContact CG-CG2 3.82Å; M57-I130 HydrophobicContact SD-CB 4.19Å; M57-Y146 HydrophobicContact CE-CD1 4.05Å; M57-Y146 HydrophobicContact CE-CE1 3.73Å; M57-Y146 HydrophobicContact SD-CD1 4.19Å; M57-Y146 HydrophobicContact SD-CE1 4.42Å
58	G	87.9	Confident	74.8	Confident	29 Å²	29	51 Å²	51	30%	0.299	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	159.5	167.9	0	0	0	0	0	111.1	N128 Q129 I130	G58-N128 PolarHBondContact N-O 3.04Å; G58-Q129 WeakPolarHBondContact O-CA 3.15Å; G58-I130 PolarHBondContact O-N 3.13Å
59	W	85.5	Confident	72.1	Confident	62 Å²	62	53.4 Å²	53.4	24%	0.235	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	133.9	174.1	-173.3	-97.5	0	0	0	110.6	T29 Q34 I37 V38 I130 C132	T29-W59 HydrophobicContact CG2-CH2 4.5Å; T29-W59 VanDerWaalsContact OG1-CH2 3.3Å; T29-W59 WeakPolarHBondContact OG1-CH2 3.36Å; T29-W59 VanDerWaalsContact OG1-CZ2 3.23Å; T29-W59 WeakPolarHBondContact OG1-CZ2 3.36Å; Q34-W59 HydrophobicContact CB-CD2 3.69Å; Q34-W59 HydrophobicContact CB-CE3 3.8Å; Q34-W59 HydrophobicContact CB-CG 4.04Å; Q34-W59 HydrophobicContact CB-CZ2 4.47Å; Q34-W59 HydrophobicContact CB-CZ3 4.23Å; Q34-W59 VanDerWaalsContact CD-CE2 3.46Å; Q34-W59 VanDerWaalsContact CD-NE1 3.29Å; Q34-W59 HydrophobicContact CG-CD2 3.6Å; Q34-W59 HydrophobicContact CG-CE3 3.91Å; Q34-W59 HydrophobicContact CG-CG 4.18Å; Q34-W59 HydrophobicContact CG-CH2 3.82Å; Q34-W59 HydrophobicContact CG-CZ2 3.53Å; Q34-W59 HydrophobicContact CG-CZ3 4.01Å; Q34-W59 VanDerWaalsContact OE1-CD1 3.24Å; I37-W59 HydrophobicContact CB-CZ3 4.33Å; I37-W59 HydrophobicContact CD1-CH2 4.28Å; I37-W59 HydrophobicContact CD1-CZ3 3.79Å; I37-W59 HydrophobicContact CG2-CE3 4.33Å; I37-W59 HydrophobicContact CG2-CZ3 3.97Å; V38-W59 HydrophobicContact CG2-CB 3.91Å; V38-W59 HydrophobicContact CG2-CE3 4.29Å; W59-I130 HydrophobicContact CE3-CG2 4.15Å; W59-C132 HydrophobicContact CH2-CB 4.39Å; W59-C132 VanDerWaalsContact CH2-N 3.26Å; W59-C132 VanDerWaalsContact CH2-SG 3.52Å
60	N	81.1	Confident	69.4	Low	39 Å²	39	57.4 Å²	57.4	21%	0.209	31%	0.306	C	S	.	.			trans	-137.2	107.2	169.9	179.3	-0.9	0	0	0	110.3	E62 A63 Q129 I130 S131	N60-E62 PolarHBondContact O-N 2.8Å; N60-E62 WeakPolarHBondContact OD1-CA 3.38Å; N60-E62 WeakPolarHBondContact OD1-CB 3.42Å; N60-E62 PolarHBondContact OD1-N 3.46Å; N60-A63 HydrophobicContact CB-CB 4.11Å; N60-A63 WeakPolarHBondContact O-CB 3.45Å; N60-A63 PolarHBondContact O-N 3.45Å; N60-Q129 HydrophobicContact CB-CB 3.98Å; N60-Q129 HydrophobicContact CB-CG 4.11Å; N60-Q129 PolarHBondContact ND2-OE1 2.8Å; N60-I130 PolarHBondContact N-O 3.24Å; N60-S131 VanDerWaalsContact O-CB 3.27Å; N60-S131 WeakPolarHBondContact O-CB 3.37Å
61	S	71.4	Confident	66.9	Low	81 Å²	81	56.5 Å²	56.5	57%	0.566	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.5	178.7	50.9	0	0	0	0	114.7
62	E	65.3	Low	64.3	Low	134 Å²	134	60.5 Å²	60.5	63%	0.626	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-5.2	178	-58.3	-176.8	175.4	0	0	113	N60 V64 T65	N60-E62 PolarHBondContact O-N 2.8Å; N60-E62 WeakPolarHBondContact OD1-CA 3.38Å; N60-E62 WeakPolarHBondContact OD1-CB 3.42Å; N60-E62 PolarHBondContact OD1-N 3.46Å; E62-V64 PolarHBondContact O-N 3.45Å; E62-T65 WeakPolarHBondContact O-CB 3.29Å; E62-T65 PolarHBondContact O-N 3.31Å; E62-T65 PolarHBondContact O-OG1 3.3Å
63	A	55.8	Low	61.9	Low	1 Å²	1	65.2 Å²	65.2	1%	0.008	36%	0.36	C	S	.	.	H	α-helix	trans	-58.3	-22.5	179.2	0	0	0	0	0	113.2	N60 T65 C66 S131 C147	N60-A63 HydrophobicContact CB-CB 4.11Å; N60-A63 WeakPolarHBondContact O-CB 3.45Å; N60-A63 PolarHBondContact O-N 3.45Å; A63-T65 PolarHBondContact O-N 3.22Å; A63-C66 PolarHBondContact O-N 2.71Å; A63-S131 WeakPolarHBondContact CB-OG 3.42Å; A63-C147 HydrophobicContact CB-CB 4.05Å; A63-C147 VanDerWaalsContact CB-SG 3.52Å; A63-C147 PolarHBondContact O-SG 2.75Å
64	V	57.7	Low	59.7	Low	55 Å²	55	69.7 Å²	69.7	33%	0.333	39%	0.393	S	S	.	.	H	α-helix	trans	-52.5	-28.1	168.6	-60.4	0	0	0	0	113.1	E62 S131	E62-V64 PolarHBondContact O-N 3.45Å; V64-S131 PolarHBondContact N-OG 2.7Å
65	T	51.2	Low	57.3	Low	85 Å²	85	71.9 Å²	71.9	52%	0.521	41%	0.408	S	S	.	.	H	α-helix	trans	-89.7	-24.1	-176.1	66.1	0	0	0	0	114.4	E62 A63 S67 M68	E62-T65 WeakPolarHBondContact O-CB 3.29Å; E62-T65 PolarHBondContact O-N 3.31Å; E62-T65 PolarHBondContact O-OG1 3.3Å; A63-T65 PolarHBondContact O-N 3.22Å; T65-S67 PolarHBondContact O-N 3.12Å; T65-M68 VanDerWaalsContact O-CB 3.28Å; T65-M68 WeakPolarHBondContact O-CB 3.28Å; T65-M68 VanDerWaalsContact O-CG 3.25Å; T65-M68 WeakPolarHBondContact O-CG 3.34Å; T65-M68 PolarHBondContact O-N 2.99Å; T65-M68 VanDerWaalsContact O-N 3.17Å
66	C	51.6	Low	55.2	Low	68 Å²	68	77.3 Å²	77.3	46%	0.459	43%	0.428	S	S	.	.	H	α-helix	trans	-72.2	-11.3	-177.4	168.5	0	0	0	0	112.6	A63 C147	A63-C66 PolarHBondContact O-N 2.71Å; C66-C147 HydrophobicContact CB-CB 4.11Å; C66-C147 WeakPolarHBondContact CB-SG 3.43Å
67	S	47.2	Very low	52.7	Low	34 Å²	34	78.4 Å²	78.4	24%	0.238	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	7.8	172.7	-62.9	0	0	0	0	115	T65 K69	T65-S67 PolarHBondContact O-N 3.12Å; S67-K69 VanDerWaalsContact C-N 3.27Å; S67-K69 PolarHBondContact O-N 2.6Å
68	M	35.5	Very low	50.4	Low	108 Å²	108	83 Å²	83	53%	0.532	47%	0.471	S	S	.	.			trans	-74.6	15.5	-166.1	-75.9	-107.6	44.7	0	0	117.8	T65 H70	T65-M68 VanDerWaalsContact O-CB 3.28Å; T65-M68 WeakPolarHBondContact O-CB 3.28Å; T65-M68 VanDerWaalsContact O-CG 3.25Å; T65-M68 WeakPolarHBondContact O-CG 3.34Å; T65-M68 PolarHBondContact O-N 2.99Å; T65-M68 VanDerWaalsContact O-N 3.17Å; M68-H70 WeakPolarHBondContact CE-NE2 3.48Å; M68-H70 PolarHBondContact O-N 3.48Å
69	K	31.7	Very low	48.3	Very low	199 Å²	199	84.5 Å²	84.5	87%	0.865	48%	0.476	S	S	*	.	S	Bend	trans	-86.5	91.1	155.1	-74	-165.7	-179.9	-178	0	107.9	S67 S71	S67-K69 VanDerWaalsContact C-N 3.27Å; S67-K69 PolarHBondContact O-N 2.6Å; K69-S71 PolarHBondContact O-N 3.29Å
70	H	37.7	Very low	45.8	Very low	131 Å²	131	86.6 Å²	86.6	61%	0.606	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-53.5	122.5	178.6	-76.9	-61.4	0	0	0	112.4	M68 R76	M68-H70 WeakPolarHBondContact CE-NE2 3.48Å; M68-H70 PolarHBondContact O-N 3.48Å; H70-R76 PolarHBondContact ND1-NH2 2.94Å
71	S	37.3	Very low	43.9	Very low	31 Å²	31	87.2 Å²	87.2	22%	0.217	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-68.5	136.3	159.9	-47.3	0	0	0	0	109.1	K69 S75 R76 S81	K69-S71 PolarHBondContact O-N 3.29Å; S71-S75 VanDerWaalsContact CB-OG 3.28Å; S71-S75 WeakPolarHBondContact CB-OG 3.43Å; S71-R76 VanDerWaalsContact O-CZ 3.25Å; S71-R76 PolarHBondContact O-NE 3.22Å; S71-R76 PolarHBondContact O-NH2 3.36Å; S71-S81 PolarHBondContact OG-OG 2.79Å
72	P	33.3	Very low	42.6	Very low	87 Å²	87	83.5 Å²	83.5	57%	0.565	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-53.6	149	176.8	-24.3	32.3	0	0	0	112	S74 S75	P72-S74 PolarHBondContact O-N 2.86Å; P72-S75 WeakPolarHBondContact CD-OG 3.49Å; P72-S75 PolarHBondContact O-N 2.78Å; P72-S75 PolarHBondContact O-OG 3.09Å
73	S	35.8	Very low	41.8	Very low	103 Å²	103	79.6 Å²	79.6	72%	0.72	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-50.2	-33.2	-179.5	-28.7	0	0	0	0	113.4	S75 R76	S73-S75 PolarHBondContact O-N 3.39Å; S73-R76 PolarHBondContact O-N 2.89Å
74	S	38.1	Very low	41.6	Very low	110 Å²	110	79.8 Å²	79.8	77%	0.769	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-70.4	-12.7	178.2	51.6	0	0	0	0	115	P72	P72-S74 PolarHBondContact O-N 2.86Å
75	S	37.1	Very low	41.5	Very low	47 Å²	47	81.4 Å²	81.4	33%	0.329	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-103.6	4	176.2	57.9	0	0	0	0	113.1	S71 P72 S73 V77	S71-S75 VanDerWaalsContact CB-OG 3.28Å; S71-S75 WeakPolarHBondContact CB-OG 3.43Å; P72-S75 WeakPolarHBondContact CD-OG 3.49Å; P72-S75 PolarHBondContact O-N 2.78Å; P72-S75 PolarHBondContact O-OG 3.09Å; S73-S75 PolarHBondContact O-N 3.39Å; S75-V77 PolarHBondContact O-N 3.22Å
76	R	41.8	Very low	41.3	Very low	124 Å²	124	84.9 Å²	84.9	47%	0.468	47%	0.472	S	S	.	.			trans	-94.6	36	-179.5	-58	-179.1	-165.8	-130.5	9.3	112.1	H70 S71 S73	H70-R76 PolarHBondContact ND1-NH2 2.94Å; S71-R76 VanDerWaalsContact O-CZ 3.25Å; S71-R76 PolarHBondContact O-NE 3.22Å; S71-R76 PolarHBondContact O-NH2 3.36Å; S73-R76 PolarHBondContact O-N 2.89Å
77	V	35.6	Very low	41.3	Very low	115 Å²	115	83.8 Å²	83.8	70%	0.697	46%	0.46	S	S	*	.	S	Bend	trans	-115.1	103.4	165.1	-167.1	0	0	0	0	103.6	S75	S75-V77 PolarHBondContact O-N 3.22Å
78	T	39.6	Very low	41.4	Very low	101 Å²	101	87.3 Å²	87.3	62%	0.62	48%	0.482	S	S	*	.	S	Bend	trans	65.2	118.1	176.5	58	0	0	0	0	117.7
79	S	44.1	Very low	43.1	Very low	60 Å²	60	83.9 Å²	83.9	42%	0.42	47%	0.469	S	S	.	.	S	Bend	trans	54.4	70	144.5	73.8	0	0	0	0	120.8
80	T	33.1	Very low	45	Very low	105 Å²	105	75.2 Å²	75.2	64%	0.644	43%	0.431	S	S	*	.	S	Bend	trans	-149.4	-0.3	157.9	42.2	0	0	0	0	115.3
81	S	41.3	Very low	47	Very low	52 Å²	52	71 Å²	71	36%	0.364	41%	0.414	S	S	.	.	S	Bend	trans	-136.2	130.3	177.4	-46.2	0	0	0	0	105.3	S71 E83	S71-S81 PolarHBondContact OG-OG 2.79Å; S81-E83 PolarHBondContact O-N 2.91Å
82	G	44.6	Very low	49.1	Very low	3 Å²	3	73.7 Å²	73.7	3%	0.031	43%	0.426	C	S	.	.	S	Bend	trans	-62.7	58.4	-167.2	0	0	0	0	0	115.6	W144 H145 Y146	G82-W144 VanDerWaalsContact O-O 3.05Å; G82-H145 WeakPolarHBondContact O-CA 3.47Å; G82-Y146 PolarHBondContact O-N 2.8Å
83	E	47.1	Very low	51.4	Low	53 Å²	53	69.6 Å²	69.6	25%	0.248	40%	0.4	C	S	.	.			trans	-123.7	111.7	-178.3	-175	-178.5	161.9	0	0	108.4	S81 L85 K143 W144	S81-E83 PolarHBondContact O-N 2.91Å; E83-L85 HydrophobicContact CG-CD2 4.13Å; E83-K143 HydrophobicContact CG-CB 4.45Å; E83-K143 HydrophobicContact CG-CG 4.44Å; E83-K143 WeakPolarHBondContact OE1-CD 3.11Å; E83-K143 WeakPolarHBondContact OE1-CE 3.32Å; E83-K143 WeakPolarHBondContact OE1-CG 3.39Å; E83-K143 IonicContact OE1-NZ 2.69Å; E83-K143 PolarHBondContact OE1-NZ 3.04Å; E83-K143 IonicContact OE2-NZ 3.93Å; E83-W144 VanDerWaalsContact CA-O 3.28Å; E83-W144 WeakPolarHBondContact CA-O 3.22Å
84	N	53.2	Low	53.7	Low	5 Å²	5	64.7 Å²	64.7	3%	0.027	37%	0.365	C	S	.	.			trans	-113.7	137.1	178.5	-59.7	-12.1	0	0	0	108.9	W97 L118	N84-W97 HydrophobicContact CB-CD2 3.59Å; N84-W97 HydrophobicContact CB-CE3 3.75Å; N84-W97 HydrophobicContact CB-CG 4.4Å; N84-W97 HydrophobicContact CB-CH2 3.27Å; N84-W97 HydrophobicContact CB-CZ2 3.14Å; N84-W97 HydrophobicContact CB-CZ3 3.59Å; N84-L118 HydrophobicContact CB-CD2 4.04Å; N84-L118 VanDerWaalsContact CG-CD2 3.43Å; N84-L118 WeakPolarHBondContact OD1-CD2 3.06Å
85	L	54.3	Low	56.2	Low	89 Å²	89	61.7 Å²	61.7	47%	0.466	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-116.4	135.8	-169.3	-59.7	-178.8	0	0	0	112.6	E83 T141 Y142 K143	E83-L85 HydrophobicContact CG-CD2 4.13Å; L85-T141 HydrophobicContact CD1-CG2 4.21Å; L85-T141 HydrophobicContact CD2-CG2 3.58Å; L85-T141 HydrophobicContact CG-CG2 4.32Å; L85-Y142 VanDerWaalsContact CD2-O 3.24Å; L85-Y142 WeakPolarHBondContact CD2-O 3.39Å; L85-K143 HydrophobicContact CD2-CG 3.82Å
86	Y	47.6	Very low	58.6	Low	158 Å²	158	61.5 Å²	61.5	62%	0.62	34%	0.341	S	S	*	.			trans	79.2	114.9	158.8	-165.7	-99	0	0	0	120.2
87	M	50.7	Low	60.9	Low	44 Å²	44	56 Å²	56	22%	0.217	32%	0.32	C	S	.	.			trans	-169.4	156.4	146	-110.4	-179.6	-85.1	0	0	111.5	S89 N92 A93 A96 Y142	M87-S89 PolarHBondContact O-N 3.06Å; M87-N92 VanDerWaalsContact CE-O 3.28Å; M87-N92 WeakPolarHBondContact CE-O 3.13Å; M87-N92 HydrophobicContact SD-CB 3.69Å; M87-A93 HydrophobicContact CB-CB 3.77Å; M87-A93 HydrophobicContact CE-CB 4.36Å; M87-A96 HydrophobicContact CE-CB 3.12Å; M87-A96 HydrophobicContact SD-CB 4.08Å; M87-Y142 WeakPolarHBondContact O-CE2 3.35Å
88	P	49.9	Very low	63.6	Low	108 Å²	108	52.3 Å²	52.3	70%	0.701	29%	0.293	S	S	*	.	S	Bend	trans	-73.2	-11.9	-175.6	28.7	-32.4	0	0	0	114.2
89	S	70.4	Confident	66.3	Low	36 Å²	36	50.5 Å²	50.5	25%	0.252	28%	0.28	S	S	.	.	S	Bend	trans	-129.7	136	170.9	165.6	0	0	0	0	108.9	M87 T91 N92 A93	M87-S89 PolarHBondContact O-N 3.06Å; S89-T91 VanDerWaalsContact C-N 3.25Å; S89-T91 PolarHBondContact O-N 3.44Å; S89-T91 PolarHBondContact OG-N 3.05Å; S89-T91 PolarHBondContact OG-OG1 3.42Å; S89-N92 PolarHBondContact O-N 2.88Å; S89-A93 PolarHBondContact O-N 3.13Å
90	W	73.1	Confident	68.7	Low	18 Å²	18	48.9 Å²	48.9	7%	0.068	27%	0.266	C	S	.	.	H	α-helix	trans	-59.7	-35.8	177.7	-58.4	112.1	0	0	0	112.9	T29 E33 I37 A93 A94 C132 V134 Y142 W144	T29-W90 HydrophobicContact CG2-CH2 3.88Å; T29-W90 HydrophobicContact CG2-CZ2 3.33Å; E33-W90 PolarHBondContact OE1-NE1 3.17Å; I37-W90 HydrophobicContact CD1-CB 4.03Å; I37-W90 HydrophobicContact CD1-CD2 3.77Å; I37-W90 HydrophobicContact CD1-CE3 3.93Å; I37-W90 HydrophobicContact CD1-CG 3.84Å; I37-W90 HydrophobicContact CG1-CB 3.56Å; I37-W90 HydrophobicContact CG1-CD2 4.32Å; I37-W90 HydrophobicContact CG1-CG 3.94Å; W90-A93 WeakPolarHBondContact O-CB 3.09Å; W90-A93 PolarHBondContact O-N 3.21Å; W90-A94 PolarHBondContact O-N 3.14Å; W90-A94 VanDerWaalsContact O-N 3.15Å; W90-C132 HydrophobicContact CE3-CB 4.45Å; W90-C132 HydrophobicContact CH2-CB 3.87Å; W90-C132 WeakPolarHBondContact CH2-SG 3.37Å; W90-C132 HydrophobicContact CZ3-CB 3.58Å; W90-C132 WeakPolarHBondContact CZ3-SG 3.46Å; W90-V134 HydrophobicContact CH2-CG2 3.76Å; W90-V134 HydrophobicContact CZ2-CG2 3.82Å; W90-Y142 HydrophobicContact CE3-CD1 4.43Å; W90-Y142 AromaticContact CH2-CD1 3.28Å; W90-Y142 HydrophobicContact CH2-CD1 3.28Å; W90-Y142 AromaticContact CH2-CE1 3.85Å; W90-Y142 HydrophobicContact CH2-CE1 3.85Å; W90-Y142 HydrophobicContact CH2-CG 4.23Å; W90-Y142 AromaticContact CZ2-CD1 3.77Å; W90-Y142 HydrophobicContact CZ2-CD1 3.77Å; W90-Y142 AromaticContact CZ2-CE1 3.83Å; W90-Y142 HydrophobicContact CZ2-CE1 3.83Å; W90-Y142 AromaticContact CZ3-CD1 3.64Å; W90-Y142 HydrophobicContact CZ3-CD1 3.64Å; W90-Y142 HydrophobicContact CZ3-CE1 4.44Å; W90-Y142 HydrophobicContact CZ3-CG 4.17Å; W90-W144 HydrophobicContact CB-CH2 4.38Å; W90-W144 HydrophobicContact CB-CZ2 4.15Å; W90-W144 HydrophobicContact CD2-CZ2 4.37Å; W90-W144 AromaticContact CE3-CE2 3.53Å; W90-W144 HydrophobicContact CE3-CH2 4.37Å; W90-W144 AromaticContact CE3-CZ2 3.44Å; W90-W144 HydrophobicContact CE3-CZ2 3.44Å; W90-W144 VanDerWaalsContact CE3-CZ2 3.44Å; W90-W144 AromaticContact CE3-NE1 3.49Å; W90-W144 AromaticContact CZ3-CE2 3.8Å; W90-W144 HydrophobicContact CZ3-CZ2 4.19Å; W90-W144 AromaticContact CZ3-NE1 3.36Å
91	T	78.3	Confident	71.7	Confident	42 Å²	42	45.6 Å²	45.6	26%	0.258	25%	0.246	S	C	.	.	H	α-helix	trans	-73.5	-38.1	178.9	54.7	0	0	0	0	111.9	E36 R40 S89 A93 A94 Q95	E36-T91 HydrophobicContact CB-CG2 4.29Å; R40-T91 HydrophobicContact CB-CG2 4.17Å; R40-T91 HydrophobicContact CG-CG2 4.35Å; S89-T91 VanDerWaalsContact C-N 3.25Å; S89-T91 PolarHBondContact O-N 3.44Å; S89-T91 PolarHBondContact OG-N 3.05Å; S89-T91 PolarHBondContact OG-OG1 3.42Å; T91-A93 VanDerWaalsContact C-N 3.31Å; T91-A94 PolarHBondContact O-N 3.27Å; T91-Q95 PolarHBondContact O-N 2.77Å
92	N	82.5	Confident	74.3	Confident	88 Å²	88	49.7 Å²	49.7	47%	0.471	26%	0.259	S	S	.	.	H	α-helix	trans	-65.2	-39.7	173.5	-66.1	-4	0	0	0	110.5	M87 S89 Q95 A96	M87-N92 VanDerWaalsContact CE-O 3.28Å; M87-N92 WeakPolarHBondContact CE-O 3.13Å; M87-N92 HydrophobicContact SD-CB 3.69Å; S89-N92 PolarHBondContact O-N 2.88Å; N92-Q95 PolarHBondContact O-N 2.81Å; N92-A96 PolarHBondContact O-N 3.41Å
93	A	81.2	Confident	76.8	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-53.2	-55.7	174.3	0	0	0	0	0	111.8	M87 S89 W90 T91 Q95 A96 W97 W144	M87-A93 HydrophobicContact CB-CB 3.77Å; M87-A93 HydrophobicContact CE-CB 4.36Å; S89-A93 PolarHBondContact O-N 3.13Å; W90-A93 WeakPolarHBondContact O-CB 3.09Å; W90-A93 PolarHBondContact O-N 3.21Å; T91-A93 VanDerWaalsContact C-N 3.31Å; A93-Q95 VanDerWaalsContact C-N 3.27Å; A93-Q95 PolarHBondContact O-N 2.94Å; A93-A96 PolarHBondContact O-N 3.04Å; A93-W97 HydrophobicContact CB-CH2 4.36Å; A93-W97 HydrophobicContact CB-CZ2 4.11Å; A93-W97 VanDerWaalsContact O-CD2 3.28Å; A93-W97 VanDerWaalsContact O-CG 3.22Å; A93-W97 PolarHBondContact O-N 2.82Å; A93-W144 HydrophobicContact CB-CZ2 3.9Å
94	A	85.1	Confident	79.1	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.3	-40.1	177.5	0	0	0	0	0	112.3	R40 H41 L44 W90 T91 Y98	R40-A94 HydrophobicContact CG-CB 3.85Å; H41-A94 VanDerWaalsContact CE1-CB 3.44Å; H41-A94 WeakPolarHBondContact CE1-CB 3.39Å; L44-A94 HydrophobicContact CD1-CB 3.89Å; W90-A94 PolarHBondContact O-N 3.14Å; W90-A94 VanDerWaalsContact O-N 3.15Å; T91-A94 PolarHBondContact O-N 3.27Å; A94-Y98 WeakPolarHBondContact O-CB 3.42Å; A94-Y98 PolarHBondContact O-N 3.33Å
95	Q	90.1	Very high	81.2	Confident	47 Å²	47	56.9 Å²	56.9	22%	0.22	29%	0.286	C	S	.	.	H	α-helix	trans	-64.3	-51.2	178.7	-175.3	59.3	46.1	0	0	112.4	L44 T91 N92 A93 W97 Y98 D99	L44-Q95 VanDerWaalsContact CD2-OE1 3.27Å; T91-Q95 PolarHBondContact O-N 2.77Å; N92-Q95 PolarHBondContact O-N 2.81Å; A93-Q95 VanDerWaalsContact C-N 3.27Å; A93-Q95 PolarHBondContact O-N 2.94Å; Q95-W97 PolarHBondContact O-N 3.08Å; Q95-Y98 CarbonylContact O-C 3.49Å; Q95-Y98 WeakPolarHBondContact O-CA 3.41Å; Q95-Y98 WeakPolarHBondContact O-CB 3.37Å; Q95-Y98 PolarHBondContact O-N 3.45Å; Q95-D99 PolarHBondContact NE2-OD1 3.37Å; Q95-D99 VanDerWaalsContact O-CG 3.25Å; Q95-D99 PolarHBondContact O-N 3.18Å
96	A	87.3	Confident	83.2	Confident	43 Å²	43	55.2 Å²	55.2	36%	0.355	27%	0.274	S	S	.	.	H	α-helix	trans	-68.3	-27.4	-175.8	0	0	0	0	0	112.4	M87 N92 A93 Y98 D99	M87-A96 HydrophobicContact CE-CB 3.12Å; M87-A96 HydrophobicContact SD-CB 4.08Å; N92-A96 PolarHBondContact O-N 3.41Å; A93-A96 PolarHBondContact O-N 3.04Å; A96-Y98 VanDerWaalsContact C-N 3.34Å; A96-D99 PolarHBondContact O-N 2.91Å
97	W	89.3	Confident	85.5	Confident	7 Å²	7	49.4 Å²	49.4	3%	0.027	26%	0.262	C	S	.	.	H	α-helix	trans	-66.3	-40	169.7	-61	-16.3	0	0	0	111.8	N84 A93 Q95 D99 L118 Y119 V122 W144 Y146	N84-W97 HydrophobicContact CB-CD2 3.59Å; N84-W97 HydrophobicContact CB-CE3 3.75Å; N84-W97 HydrophobicContact CB-CG 4.4Å; N84-W97 HydrophobicContact CB-CH2 3.27Å; N84-W97 HydrophobicContact CB-CZ2 3.14Å; N84-W97 HydrophobicContact CB-CZ3 3.59Å; A93-W97 HydrophobicContact CB-CH2 4.36Å; A93-W97 HydrophobicContact CB-CZ2 4.11Å; A93-W97 VanDerWaalsContact O-CD2 3.28Å; A93-W97 VanDerWaalsContact O-CG 3.22Å; A93-W97 PolarHBondContact O-N 2.82Å; Q95-W97 PolarHBondContact O-N 3.08Å; W97-D99 VanDerWaalsContact C-N 3.3Å; W97-L118 HydrophobicContact CB-CB 3.72Å; W97-L118 HydrophobicContact CG-CB 3.92Å; W97-L118 HydrophobicContact CG-CD1 4.23Å; W97-Y119 WeakPolarHBondContact O-CA 3.24Å; W97-Y119 WeakPolarHBondContact O-CB 3.33Å; W97-Y119 PolarHBondContact O-N 3.49Å; W97-V122 HydrophobicContact CB-CG2 3.94Å; W97-V122 HydrophobicContact CE3-CG2 4.27Å; W97-W144 HydrophobicContact CH2-CB 3.98Å; W97-W144 AromaticContact CH2-CD1 3.45Å; W97-W144 VanDerWaalsContact CH2-CD1 3.45Å; W97-W144 AromaticContact CH2-CD2 3.47Å; W97-W144 HydrophobicContact CH2-CD2 3.47Å; W97-W144 VanDerWaalsContact CH2-CD2 3.47Å; W97-W144 AromaticContact CH2-CE2 3.41Å; W97-W144 VanDerWaalsContact CH2-CE2 3.41Å; W97-W144 HydrophobicContact CH2-CE3 4.18Å; W97-W144 AromaticContact CH2-CG 3.42Å; W97-W144 HydrophobicContact CH2-CG 3.42Å; W97-W144 VanDerWaalsContact CH2-CG 3.42Å; W97-W144 AromaticContact CH2-CZ2 4Å; W97-W144 HydrophobicContact CH2-CZ2 4Å; W97-W144 AromaticContact CH2-NE1 3.44Å; W97-W144 HydrophobicContact CZ3-CB 4.31Å; W97-W144 AromaticContact CZ3-CD2 3.66Å; W97-W144 HydrophobicContact CZ3-CD2 3.66Å; W97-W144 AromaticContact CZ3-CE2 3.85Å; W97-W144 AromaticContact CZ3-CE3 3.88Å; W97-W144 HydrophobicContact CZ3-CE3 3.88Å; W97-W144 AromaticContact CZ3-CG 3.94Å; W97-W144 HydrophobicContact CZ3-CG 3.94Å; W97-W144 HydrophobicContact CZ3-CH2 4.36Å; W97-W144 HydrophobicContact CZ3-CZ2 4.16Å; W97-W144 HydrophobicContact CZ3-CZ3 4.24Å; W97-Y146 WeakPolarHBondContact CZ3-OH 3.48Å
98	Y	93.6	Very high	87.7	Confident	38 Å²	38	50.9 Å²	50.9	15%	0.149	27%	0.273	C	S	.	.	H	α-helix	trans	-66.2	-33.7	174.3	-176.7	-90	0	0	0	112.4	L44 V47 A94 Q95 A96 E100 V101 Y119 V122 V123	L44-Y98 HydrophobicContact CB-CD2 3.77Å; L44-Y98 HydrophobicContact CB-CE2 4.17Å; L44-Y98 HydrophobicContact CB-CG 4.24Å; L44-Y98 HydrophobicContact CD1-CG 4.45Å; L44-Y98 HydrophobicContact CD2-CD1 3.89Å; L44-Y98 HydrophobicContact CD2-CD2 4.07Å; L44-Y98 HydrophobicContact CD2-CE1 4.39Å; L44-Y98 HydrophobicContact CD2-CG 3.71Å; L44-Y98 HydrophobicContact CG-CD2 4.36Å; L44-Y98 HydrophobicContact CG-CG 4.34Å; L44-Y98 WeakPolarHBondContact O-CE2 3.37Å; V47-Y98 HydrophobicContact CG1-CE2 4.37Å; A94-Y98 WeakPolarHBondContact O-CB 3.42Å; A94-Y98 PolarHBondContact O-N 3.33Å; Q95-Y98 CarbonylContact O-C 3.49Å; Q95-Y98 WeakPolarHBondContact O-CA 3.41Å; Q95-Y98 WeakPolarHBondContact O-CB 3.37Å; Q95-Y98 PolarHBondContact O-N 3.45Å; A96-Y98 VanDerWaalsContact C-N 3.34Å; Y98-E100 PolarHBondContact O-N 3.5Å; Y98-E100 VanDerWaalsContact O-N 3.11Å; Y98-V101 HydrophobicContact CD1-CG1 4.18Å; Y98-V101 HydrophobicContact CE1-CG1 3.92Å; Y98-V101 VanDerWaalsContact O-CB 3.22Å; Y98-V101 WeakPolarHBondContact O-CB 3.25Å; Y98-V101 VanDerWaalsContact O-CG1 3.25Å; Y98-V101 WeakPolarHBondContact O-CG1 3.41Å; Y98-V101 PolarHBondContact O-N 3.01Å; Y98-Y119 AromaticContact CD2-CD2 3.88Å; Y98-Y119 HydrophobicContact CD2-CD2 3.88Å; Y98-Y119 AromaticContact CD2-CE2 3.95Å; Y98-Y119 HydrophobicContact CD2-CE2 3.95Å; Y98-Y119 HydrophobicContact CE2-CD2 4.1Å; Y98-Y119 AromaticContact CE2-CE2 3.69Å; Y98-Y119 HydrophobicContact CE2-CE2 3.69Å; Y98-Y119 HydrophobicContact CG-CD2 4.35Å; Y98-Y119 WeakPolarHBondContact O-CD2 3.18Å; Y98-V122 HydrophobicContact CD2-CG1 4.23Å; Y98-V123 HydrophobicContact CD2-CG1 4.14Å; Y98-V123 HydrophobicContact CE2-CG1 3.96Å
99	D	95.1	Very high	89.8	Confident	64 Å²	64	45.9 Å²	45.9	34%	0.342	24%	0.241	S	C	.	.	H	α-helix	trans	-63.6	-15.8	-177.6	-69.2	-24.4	0	0	0	113.8	Q95 A96 W97 V101 H102	Q95-D99 PolarHBondContact NE2-OD1 3.37Å; Q95-D99 VanDerWaalsContact O-CG 3.25Å; Q95-D99 PolarHBondContact O-N 3.18Å; A96-D99 PolarHBondContact O-N 2.91Å; W97-D99 VanDerWaalsContact C-N 3.3Å; D99-V101 PolarHBondContact O-N 3.25Å; D99-H102 WeakPolarHBondContact O-CB 3.47Å; D99-H102 PolarHBondContact O-CD2 3.33Å; D99-H102 PolarHBondContact O-N 2.96Å
100	E	94.3	Very high	90.9	Very high	25 Å²	25	46.1 Å²	46.1	12%	0.117	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-59.4	-11.9	166.4	-60.9	-177.1	163	0	0	112.6	Y98 H102 D103 F104 V115 V116 G117 L118 Y119	Y98-E100 PolarHBondContact O-N 3.5Å; Y98-E100 VanDerWaalsContact O-N 3.11Å; E100-H102 PolarHBondContact O-N 2.66Å; E100-H102 VanDerWaalsContact O-N 3.15Å; E100-D103 PolarHBondContact O-N 3.3Å; E100-F104 PolarHBondContact O-N 3.04Å; E100-V115 WeakPolarHBondContact CG-O 3.44Å; E100-V115 WeakPolarHBondContact OE1-CG1 3.46Å; E100-V116 WeakPolarHBondContact OE2-CA 3.36Å; E100-G117 PolarHBondContact OE2-N 3.28Å; E100-L118 WeakPolarHBondContact OE1-CD1 3.5Å; E100-L118 WeakPolarHBondContact OE1-CG 3.41Å; E100-L118 WeakPolarHBondContact OE2-CA 3.35Å; E100-L118 VanDerWaalsContact OE2-CB 3.28Å; E100-L118 WeakPolarHBondContact OE2-CB 3.34Å; E100-L118 PolarHBondContact OE2-N 3.4Å; E100-Y119 PolarHBondContact OE2-N 3.03Å
101	V	96.1	Very high	92.1	Very high	36 Å²	36	49.5 Å²	49.5	22%	0.218	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-54.1	-28.1	169.1	71.9	0	0	0	0	112.6	Y98 D99 D103 F104 Y119	Y98-V101 HydrophobicContact CD1-CG1 4.18Å; Y98-V101 HydrophobicContact CE1-CG1 3.92Å; Y98-V101 VanDerWaalsContact O-CB 3.22Å; Y98-V101 WeakPolarHBondContact O-CB 3.25Å; Y98-V101 VanDerWaalsContact O-CG1 3.25Å; Y98-V101 WeakPolarHBondContact O-CG1 3.41Å; Y98-V101 PolarHBondContact O-N 3.01Å; D99-V101 PolarHBondContact O-N 3.25Å; V101-D103 PolarHBondContact O-N 3.42Å; V101-F104 PolarHBondContact O-N 2.89Å; V101-F104 VanDerWaalsContact O-N 3.13Å; V101-Y119 HydrophobicContact CB-CD2 3.64Å; V101-Y119 HydrophobicContact CB-CE2 3.59Å; V101-Y119 HydrophobicContact CB-CG 4.17Å; V101-Y119 HydrophobicContact CG2-CD2 4.15Å; V101-Y119 HydrophobicContact CG2-CE1 4.35Å; V101-Y119 HydrophobicContact CG2-CE2 3.56Å
102	H	96.6	Very high	92.8	Very high	139 Å²	139	51.4 Å²	51.4	64%	0.644	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-62.4	-27.2	176.9	-68	-52.4	0	0	0	113	D99 E100	D99-H102 WeakPolarHBondContact O-CB 3.47Å; D99-H102 PolarHBondContact O-CD2 3.33Å; D99-H102 PolarHBondContact O-N 2.96Å; E100-H102 PolarHBondContact O-N 2.66Å; E100-H102 VanDerWaalsContact O-N 3.15Å
103	D	96.2	Very high	93.2	Very high	45 Å²	45	50.6 Å²	50.6	24%	0.241	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-101.6	4.8	179.6	-60.3	-45.8	0	0	0	112.3	E100 V101 S110 I111 N112 D114 V116	E100-D103 PolarHBondContact O-N 3.3Å; V101-D103 PolarHBondContact O-N 3.42Å; D103-S110 CarbonylContact O-C 3.56Å; D103-S110 WeakPolarHBondContact O-CA 3.47Å; D103-I111 WeakPolarHBondContact O-CG1 3.41Å; D103-I111 PolarHBondContact O-N 3.33Å; D103-N112 WeakPolarHBondContact CB-OD1 3.41Å; D103-N112 PolarHBondContact OD1-ND2 2.9Å; D103-D114 HydrophobicContact CB-CB 4.22Å; D103-V116 HydrophobicContact CB-CG1 4.12Å
104	F	96.8	Very high	93.6	Very high	18 Å²	18	54.8 Å²	54.8	8%	0.079	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141.4	-175.4	178.8	-96.5	0	0	0	112.3	E100 V101 Y106 V116 Y119 T120 L154 P157	E100-F104 PolarHBondContact O-N 3.04Å; V101-F104 PolarHBondContact O-N 2.89Å; V101-F104 VanDerWaalsContact O-N 3.13Å; F104-Y106 VanDerWaalsContact CE1-N 3.28Å; F104-V116 HydrophobicContact CB-CB 4.37Å; F104-V116 HydrophobicContact CB-CG1 3.99Å; F104-V116 HydrophobicContact CD2-CB 4.19Å; F104-V116 HydrophobicContact CD2-CG1 4.44Å; F104-V116 HydrophobicContact CD2-CG2 4.23Å; F104-Y119 HydrophobicContact CB-CD1 4.11Å; F104-Y119 HydrophobicContact CB-CE1 4.2Å; F104-Y119 HydrophobicContact CD1-CD1 4.04Å; F104-Y119 AromaticContact CD1-CE1 3.33Å; F104-Y119 HydrophobicContact CD1-CE1 3.33Å; F104-Y119 HydrophobicContact CD2-CD1 4.3Å; F104-Y119 HydrophobicContact CD2-CE1 4.27Å; F104-Y119 AromaticContact CE1-CE1 3.65Å; F104-Y119 HydrophobicContact CE1-CE1 3.65Å; F104-Y119 AromaticContact CG-CD1 3.88Å; F104-Y119 HydrophobicContact CG-CD1 3.88Å; F104-Y119 AromaticContact CG-CE1 3.66Å; F104-Y119 HydrophobicContact CG-CE1 3.66Å; F104-Y119 HydrophobicContact CZ-CE1 4.25Å; F104-T120 HydrophobicContact CD2-CG2 4.31Å; F104-T120 HydrophobicContact CE2-CG2 4.01Å; F104-L154 VanDerWaalsContact CE2-O 3.24Å; F104-L154 WeakPolarHBondContact CE2-O 3.48Å; F104-P157 HydrophobicContact CZ-CG 4.25Å
105	R	97.3	Very high	93.7	Very high	149 Å²	149	58.2 Å²	58.2	56%	0.562	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	126.5	164.4	-177.8	169.7	63.5	-170.1	-0.3	110.7	G107 V108 G109 I111	R105-G107 PolarHBondContact O-N 3.08Å; R105-V108 HydrophobicContact CB-CB 4.22Å; R105-V108 HydrophobicContact CG-CB 4.47Å; R105-V108 HydrophobicContact CG-CG2 4.32Å; R105-V108 WeakPolarHBondContact O-CA 3.33Å; R105-V108 PolarHBondContact O-N 2.98Å; R105-G109 PolarHBondContact N-O 2.86Å; R105-G109 PolarHBondContact O-N 2.94Å; R105-I111 HydrophobicContact CB-CG2 3.45Å; R105-I111 VanDerWaalsContact CB-CG2 3.45Å
106	Y	96.4	Very high	93.7	Very high	54 Å²	54	56.4 Å²	56.4	21%	0.212	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	135.5	177.1	-171.1	-85.5	0	0	0	110.8	P49 F104 V108 H156 Y158 S160	P49-Y106 HydrophobicContact CG-CD1 4.1Å; P49-Y106 HydrophobicContact CG-CD2 4.21Å; P49-Y106 HydrophobicContact CG-CG 3.85Å; F104-Y106 VanDerWaalsContact CE1-N 3.28Å; Y106-V108 PolarHBondContact O-N 3.11Å; Y106-H156 AromaticContact CE1-CD2 3.62Å; Y106-H156 AromaticContact CZ-CD2 3.65Å; Y106-H156 PolarHBondContact OH-CD2 2.8Å; Y106-Y158 HydrophobicContact CD2-CD2 4.48Å; Y106-Y158 HydrophobicContact CD2-CE1 4.4Å; Y106-Y158 AromaticContact CD2-CE2 3.79Å; Y106-Y158 HydrophobicContact CD2-CE2 3.79Å; Y106-Y158 AromaticContact CD2-CZ 3.72Å; Y106-Y158 AromaticContact CE2-CD2 3.79Å; Y106-Y158 HydrophobicContact CE2-CD2 3.79Å; Y106-Y158 HydrophobicContact CE2-CE1 4.46Å; Y106-Y158 AromaticContact CE2-CE2 3.5Å; Y106-Y158 HydrophobicContact CE2-CE2 3.5Å; Y106-Y158 VanDerWaalsContact CE2-CE2 3.5Å; Y106-Y158 HydrophobicContact CE2-CG 4.38Å; Y106-Y158 AromaticContact CE2-CZ 3.87Å; Y106-Y158 VanDerWaalsContact CE2-O 3.28Å; Y106-Y158 WeakPolarHBondContact CE2-O 3.23Å; Y106-Y158 PolarHBondContact OH-O 3.27Å; Y106-S160 PolarHBondContact OH-N 3.27Å; Y106-S160 VanDerWaalsContact OH-N 3.12Å
107	G	95.9	Very high	93.7	Very high	35 Å²	35	54.5 Å²	54.5	36%	0.361	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	-19.3	-174.5	0	0	0	0	0	114.8	R105 T155 H156	R105-G107 PolarHBondContact O-N 3.08Å; G107-T155 WeakPolarHBondContact CA-O 3.4Å; G107-T155 PolarHBondContact N-O 2.81Å; G107-H156 VanDerWaalsContact CA-CE1 3.47Å; G107-H156 WeakPolarHBondContact CA-CE1 3.11Å
108	V	96.3	Very high	93.7	Very high	75 Å²	75	56.2 Å²	56.2	46%	0.455	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-40.2	-175	179.9	0	0	0	0	112.2	R105 Y106 T155	R105-V108 HydrophobicContact CB-CB 4.22Å; R105-V108 HydrophobicContact CG-CB 4.47Å; R105-V108 HydrophobicContact CG-CG2 4.32Å; R105-V108 WeakPolarHBondContact O-CA 3.33Å; R105-V108 PolarHBondContact O-N 2.98Å; Y106-V108 PolarHBondContact O-N 3.11Å; V108-T155 VanDerWaalsContact O-CG2 3.26Å; V108-T155 WeakPolarHBondContact O-CG2 3.47Å
109	G	93.1	Very high	93.6	Very high	3 Å²	3	54.5 Å²	54.5	3%	0.031	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	93.1	-143.7	-170.3	0	0	0	0	0	111.6	R105	R105-G109 PolarHBondContact N-O 2.86Å; R105-G109 PolarHBondContact O-N 2.94Å
110	S	95	Very high	93.6	Very high	41 Å²	41	51.4 Å²	51.4	29%	0.287	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	131.4	176.1	179.5	0	0	0	0	111.1	D103 G113 D114	D103-S110 CarbonylContact O-C 3.56Å; D103-S110 WeakPolarHBondContact O-CA 3.47Å; S110-G113 VanDerWaalsContact OG-CA 3.29Å; S110-G113 WeakPolarHBondContact OG-CA 3.43Å; S110-G113 PolarHBondContact OG-N 3.36Å; S110-D114 WeakPolarHBondContact CB-O 3.49Å; S110-D114 PolarHBondContact OG-N 3.05Å; S110-D114 VanDerWaalsContact OG-N 3.1Å; S110-D114 PolarHBondContact OG-O 2.81Å
111	I	96.6	Very high	93.4	Very high	90 Å²	90	50.2 Å²	50.2	46%	0.462	28%	0.283	S	S	.	.	S	Bend	trans	-95.7	-15.4	-176.7	68.5	-173	0	0	0	113.8	D103 R105	D103-I111 WeakPolarHBondContact O-CG1 3.41Å; D103-I111 PolarHBondContact O-N 3.33Å; R105-I111 HydrophobicContact CB-CG2 3.45Å; R105-I111 VanDerWaalsContact CB-CG2 3.45Å
112	N	94.7	Very high	93.3	Very high	81 Å²	81	48.5 Å²	48.5	43%	0.433	27%	0.273	S	S	.	.	S	Bend	trans	-130.3	-0.8	-175.9	56	-6	0	0	0	113	D103 D114	D103-N112 WeakPolarHBondContact CB-OD1 3.41Å; D103-N112 PolarHBondContact OD1-ND2 2.9Å; N112-D114 PolarHBondContact ND2-OD2 3.05Å; N112-D114 WeakPolarHBondContact OD1-CB 3.3Å; N112-D114 PolarHBondContact OD1-N 3.12Å
113	G	89.7	Confident	93.2	Very high	71 Å²	71	41.9 Å²	41.9	73%	0.732	24%	0.242	S	C	*	.	S	Bend	trans	88.7	0.1	-177.4	0	0	0	0	0	114	S110	S110-G113 VanDerWaalsContact OG-CA 3.29Å; S110-G113 WeakPolarHBondContact OG-CA 3.43Å; S110-G113 PolarHBondContact OG-N 3.36Å
114	D	90.5	Very high	93	Very high	90 Å²	90	40.4 Å²	40.4	48%	0.481	23%	0.233	S	C	.	.			trans	-75.3	167.1	175.1	-69	-40.8	0	0	0	112.1	D103 S110 N112	D103-D114 HydrophobicContact CB-CB 4.22Å; S110-D114 WeakPolarHBondContact CB-O 3.49Å; S110-D114 PolarHBondContact OG-N 3.05Å; S110-D114 VanDerWaalsContact OG-N 3.1Å; S110-D114 PolarHBondContact OG-O 2.81Å; N112-D114 PolarHBondContact ND2-OD2 3.05Å; N112-D114 WeakPolarHBondContact OD1-CB 3.3Å; N112-D114 PolarHBondContact OD1-N 3.12Å
115	V	86.5	Confident	92.6	Very high	71 Å²	71	43.7 Å²	43.7	43%	0.43	25%	0.246	S	C	.	.			trans	-71.9	129.3	-177.2	-176.6	0	0	0	0	109.9	E100	E100-V115 WeakPolarHBondContact CG-O 3.44Å; E100-V115 WeakPolarHBondContact OE1-CG1 3.46Å
116	V	91.3	Very high	91.9	Very high	9 Å²	9	37.3 Å²	37.3	6%	0.055	23%	0.227	C	C	.	.			trans	-125.9	3.8	177	-61.7	0	0	0	0	113.1	E100 D103 F104 L118 Y119 T120	E100-V116 WeakPolarHBondContact OE2-CA 3.36Å; D103-V116 HydrophobicContact CB-CG1 4.12Å; F104-V116 HydrophobicContact CB-CB 4.37Å; F104-V116 HydrophobicContact CB-CG1 3.99Å; F104-V116 HydrophobicContact CD2-CB 4.19Å; F104-V116 HydrophobicContact CD2-CG1 4.44Å; F104-V116 HydrophobicContact CD2-CG2 4.23Å; V116-L118 VanDerWaalsContact C-N 3.34Å; V116-L118 PolarHBondContact O-N 3.08Å; V116-Y119 PolarHBondContact O-N 2.97Å; V116-T120 WeakPolarHBondContact O-CG2 3.36Å; V116-T120 PolarHBondContact O-N 3.46Å; V116-T120 PolarHBondContact O-OG1 2.94Å
117	G	85.9	Confident	91.4	Very high	4 Å²	4	34.8 Å²	34.8	4%	0.041	22%	0.216	C	C	.	.	H	α-helix	trans	-70.8	-26.7	-171.6	0	0	0	0	0	113.9	E100 T120 Q121 N151	E100-G117 PolarHBondContact OE2-N 3.28Å; G117-T120 WeakPolarHBondContact CA-OG1 3.15Å; G117-T120 PolarHBondContact O-OG1 3.38Å; G117-Q121 WeakPolarHBondContact O-CB 3.32Å; G117-Q121 PolarHBondContact O-N 2.88Å; G117-N151 PolarHBondContact O-ND2 2.9Å
118	L	89.3	Confident	90.9	Very high	43 Å²	43	35.4 Å²	35.4	23%	0.225	21%	0.212	C	C	.	.	H	α-helix	trans	-75.6	-43.8	177.5	-47.5	178.1	0	0	0	109	N84 W97 E100 V116 Q121 V122	N84-L118 HydrophobicContact CB-CD2 4.04Å; N84-L118 VanDerWaalsContact CG-CD2 3.43Å; N84-L118 WeakPolarHBondContact OD1-CD2 3.06Å; W97-L118 HydrophobicContact CB-CB 3.72Å; W97-L118 HydrophobicContact CG-CB 3.92Å; W97-L118 HydrophobicContact CG-CD1 4.23Å; E100-L118 WeakPolarHBondContact OE1-CD1 3.5Å; E100-L118 WeakPolarHBondContact OE1-CG 3.41Å; E100-L118 WeakPolarHBondContact OE2-CA 3.35Å; E100-L118 VanDerWaalsContact OE2-CB 3.28Å; E100-L118 WeakPolarHBondContact OE2-CB 3.34Å; E100-L118 PolarHBondContact OE2-N 3.4Å; V116-L118 VanDerWaalsContact C-N 3.34Å; V116-L118 PolarHBondContact O-N 3.08Å; L118-Q121 PolarHBondContact O-N 3.25Å; L118-V122 WeakPolarHBondContact O-CG2 3.38Å; L118-V122 PolarHBondContact O-N 2.91Å
119	Y	93.1	Very high	90.3	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-57.8	-53.1	173.2	162.5	-102.2	0	0	0	111.1	W97 Y98 E100 V101 F104 V116 Q121 V122 V123	W97-Y119 WeakPolarHBondContact O-CA 3.24Å; W97-Y119 WeakPolarHBondContact O-CB 3.33Å; W97-Y119 PolarHBondContact O-N 3.49Å; Y98-Y119 AromaticContact CD2-CD2 3.88Å; Y98-Y119 HydrophobicContact CD2-CD2 3.88Å; Y98-Y119 AromaticContact CD2-CE2 3.95Å; Y98-Y119 HydrophobicContact CD2-CE2 3.95Å; Y98-Y119 HydrophobicContact CE2-CD2 4.1Å; Y98-Y119 AromaticContact CE2-CE2 3.69Å; Y98-Y119 HydrophobicContact CE2-CE2 3.69Å; Y98-Y119 HydrophobicContact CG-CD2 4.35Å; Y98-Y119 WeakPolarHBondContact O-CD2 3.18Å; E100-Y119 PolarHBondContact OE2-N 3.03Å; V101-Y119 HydrophobicContact CB-CD2 3.64Å; V101-Y119 HydrophobicContact CB-CE2 3.59Å; V101-Y119 HydrophobicContact CB-CG 4.17Å; V101-Y119 HydrophobicContact CG2-CD2 4.15Å; V101-Y119 HydrophobicContact CG2-CE1 4.35Å; V101-Y119 HydrophobicContact CG2-CE2 3.56Å; F104-Y119 HydrophobicContact CB-CD1 4.11Å; F104-Y119 HydrophobicContact CB-CE1 4.2Å; F104-Y119 HydrophobicContact CD1-CD1 4.04Å; F104-Y119 AromaticContact CD1-CE1 3.33Å; F104-Y119 HydrophobicContact CD1-CE1 3.33Å; F104-Y119 HydrophobicContact CD2-CD1 4.3Å; F104-Y119 HydrophobicContact CD2-CE1 4.27Å; F104-Y119 AromaticContact CE1-CE1 3.65Å; F104-Y119 HydrophobicContact CE1-CE1 3.65Å; F104-Y119 AromaticContact CG-CD1 3.88Å; F104-Y119 HydrophobicContact CG-CD1 3.88Å; F104-Y119 AromaticContact CG-CE1 3.66Å; F104-Y119 HydrophobicContact CG-CE1 3.66Å; F104-Y119 HydrophobicContact CZ-CE1 4.25Å; V116-Y119 PolarHBondContact O-N 2.97Å; Y119-Q121 PolarHBondContact O-N 2.75Å; Y119-Q121 VanDerWaalsContact O-N 3.13Å; Y119-V122 WeakPolarHBondContact O-CB 3.22Å; Y119-V122 PolarHBondContact O-N 3.21Å; Y119-V123 HydrophobicContact CD1-CG2 4.38Å; Y119-V123 HydrophobicContact CD2-CG1 4.29Å; Y119-V123 HydrophobicContact CD2-CG2 4.4Å; Y119-V123 HydrophobicContact CE1-CG2 3.88Å; Y119-V123 HydrophobicContact CE2-CG1 3.83Å; Y119-V123 HydrophobicContact CE2-CG2 3.95Å; Y119-V123 WeakPolarHBondContact O-CG2 3.46Å; Y119-V123 PolarHBondContact O-N 3.29Å; Y119-V123 VanDerWaalsContact O-N 3.08Å
120	T	93.3	Very high	89.9	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-28.5	-177.2	55.4	0	0	0	0	112.5	F104 V116 G117 V123 W124 N151 L154 P157	F104-T120 HydrophobicContact CD2-CG2 4.31Å; F104-T120 HydrophobicContact CE2-CG2 4.01Å; V116-T120 WeakPolarHBondContact O-CG2 3.36Å; V116-T120 PolarHBondContact O-N 3.46Å; V116-T120 PolarHBondContact O-OG1 2.94Å; G117-T120 WeakPolarHBondContact CA-OG1 3.15Å; G117-T120 PolarHBondContact O-OG1 3.38Å; T120-V123 CarbonylContact O-C 3.5Å; T120-W124 WeakPolarHBondContact O-CA 3.26Å; T120-W124 WeakPolarHBondContact O-CB 3.48Å; T120-W124 PolarHBondContact O-N 3.23Å; T120-N151 WeakPolarHBondContact CB-OD1 3.27Å; T120-N151 PolarHBondContact OG1-OD1 2.99Å; T120-L154 HydrophobicContact CG2-CD2 4.24Å; T120-L154 VanDerWaalsContact CG2-O 3.31Å; T120-L154 WeakPolarHBondContact CG2-O 3.41Å; T120-L154 WeakPolarHBondContact OG1-CD2 3.44Å; T120-P157 HydrophobicContact CG2-CB 4.24Å; T120-P157 HydrophobicContact CG2-CG 4.17Å
121	Q	91.9	Very high	89.2	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-74.1	-42.6	174.7	-177.9	56.4	87.5	0	0	112.1	G117 L118 Y119 V123 W124 S127 Y146 N151	G117-Q121 WeakPolarHBondContact O-CB 3.32Å; G117-Q121 PolarHBondContact O-N 2.88Å; L118-Q121 PolarHBondContact O-N 3.25Å; Y119-Q121 PolarHBondContact O-N 2.75Å; Y119-Q121 VanDerWaalsContact O-N 3.13Å; Q121-V123 PolarHBondContact O-N 2.9Å; Q121-W124 PolarHBondContact O-N 2.93Å; Q121-S127 PolarHBondContact NE2-OG 3.28Å; Q121-Y146 HydrophobicContact CG-CD1 4.14Å; Q121-Y146 HydrophobicContact CG-CD2 3.35Å; Q121-Y146 HydrophobicContact CG-CE1 4.35Å; Q121-Y146 HydrophobicContact CG-CE2 3.61Å; Q121-Y146 HydrophobicContact CG-CG 3.64Å; Q121-Y146 VanDerWaalsContact NE2-CB 3.33Å; Q121-N151 PolarHBondContact N-OD1 3.32Å
122	V	92.3	Very high	88	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.6	-39.3	174.9	170.7	0	0	0	0	110.6	L44 R45 W97 Y98 L118 Y119	L44-V122 HydrophobicContact CB-CG1 4.13Å; L44-V122 HydrophobicContact CD1-CG1 4.43Å; R45-V122 PolarHBondContact NH1-O 2.93Å; W97-V122 HydrophobicContact CB-CG2 3.94Å; W97-V122 HydrophobicContact CE3-CG2 4.27Å; Y98-V122 HydrophobicContact CD2-CG1 4.23Å; L118-V122 WeakPolarHBondContact O-CG2 3.38Å; L118-V122 PolarHBondContact O-N 2.91Å; Y119-V122 WeakPolarHBondContact O-CB 3.22Å; Y119-V122 PolarHBondContact O-N 3.21Å
123	V	94.1	Very high	86.4	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	20.8	-177.5	-51.6	0	0	0	0	113.8	V47 L54 Y98 Y119 T120 Q121 Y125 P157 Y158	V47-V123 HydrophobicContact CG1-CB 3.98Å; V47-V123 HydrophobicContact CG1-CG1 3.49Å; V47-V123 VanDerWaalsContact CG1-CG1 3.49Å; L54-V123 WeakPolarHBondContact CD1-O 3.37Å; Y98-V123 HydrophobicContact CD2-CG1 4.14Å; Y98-V123 HydrophobicContact CE2-CG1 3.96Å; Y119-V123 HydrophobicContact CD1-CG2 4.38Å; Y119-V123 HydrophobicContact CD2-CG1 4.29Å; Y119-V123 HydrophobicContact CD2-CG2 4.4Å; Y119-V123 HydrophobicContact CE1-CG2 3.88Å; Y119-V123 HydrophobicContact CE2-CG1 3.83Å; Y119-V123 HydrophobicContact CE2-CG2 3.95Å; Y119-V123 WeakPolarHBondContact O-CG2 3.46Å; Y119-V123 PolarHBondContact O-N 3.29Å; Y119-V123 VanDerWaalsContact O-N 3.08Å; T120-V123 CarbonylContact O-C 3.5Å; Q121-V123 PolarHBondContact O-N 2.9Å; V123-Y125 PolarHBondContact O-N 3.37Å; V123-P157 HydrophobicContact CG2-CB 4.04Å; V123-P157 HydrophobicContact CG2-CG 3.84Å; V123-Y158 HydrophobicContact CB-CD1 4.28Å; V123-Y158 HydrophobicContact CB-CE1 4.35Å; V123-Y158 HydrophobicContact CG2-CD1 4.05Å; V123-Y158 HydrophobicContact CG2-CE1 3.95Å
124	W	92.8	Very high	84.7	Confident	13 Å²	13	24.2 Å²	24.2	5%	0.049	13%	0.132	C	C	.	.			trans	-71.6	126.4	179.7	-165.6	-102.7	0	0	0	111.3	R45 T120 Q121 G126 S127 G150 Y152 W153 P157	R45-W124 PolarHBondContact NH1-O 3.19Å; R45-W124 PolarHBondContact NH2-O 3.49Å; T120-W124 WeakPolarHBondContact O-CA 3.26Å; T120-W124 WeakPolarHBondContact O-CB 3.48Å; T120-W124 PolarHBondContact O-N 3.23Å; Q121-W124 PolarHBondContact O-N 2.93Å; W124-G126 VanDerWaalsContact C-N 3.34Å; W124-G126 PolarHBondContact O-N 3.24Å; W124-S127 PolarHBondContact O-N 3.13Å; W124-G150 VanDerWaalsContact CE2-CA 3.49Å; W124-G150 VanDerWaalsContact CG-CA 3.48Å; W124-Y152 AromaticContact CZ2-CD2 3.97Å; W124-Y152 HydrophobicContact CZ2-CD2 3.97Å; W124-W153 HydrophobicContact CH2-CB 4.15Å; W124-W153 VanDerWaalsContact CH2-N 3.31Å; W124-W153 VanDerWaalsContact CZ3-O 3.3Å; W124-W153 WeakPolarHBondContact CZ3-O 3.34Å; W124-P157 HydrophobicContact CE3-CB 3.8Å; W124-P157 HydrophobicContact CZ3-CB 4.09Å
125	Y	88.4	Confident	82.6	Confident	88 Å²	88	22.9 Å²	22.9	35%	0.345	13%	0.127	S	C	.	.	S	Bend	trans	-59	-41.6	-172.6	80.3	-77.7	0	0	0	114	N53 L55 V123 P157	N53-Y125 WeakPolarHBondContact ND2-CD2 3.23Å; L55-Y125 VanDerWaalsContact CB-O 3.32Å; L55-Y125 WeakPolarHBondContact CB-O 3.31Å; L55-Y125 WeakPolarHBondContact CG-O 3.24Å; L55-Y125 PolarHBondContact N-O 2.67Å; V123-Y125 PolarHBondContact O-N 3.37Å; Y125-P157 WeakPolarHBondContact CD1-O 3.22Å; Y125-P157 PolarHBondContact N-O 2.98Å
126	G	83.4	Confident	80.4	Confident	15 Å²	15	28.1 Å²	28.1	16%	0.155	14%	0.141	C	C	.	.	S	Bend	trans	-81.5	-24.1	-175.4	0	0	0	0	0	113.8	W124 N128 P148	W124-G126 VanDerWaalsContact C-N 3.34Å; W124-G126 PolarHBondContact O-N 3.24Å; G126-N128 PolarHBondContact O-N 3.23Å; G126-N128 VanDerWaalsContact O-N 3.11Å; G126-P148 VanDerWaalsContact O-CD 3.3Å; G126-P148 WeakPolarHBondContact O-CD 3.33Å
127	S	86.4	Confident	77.9	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.157	C	C	.	.			trans	-75.7	104.3	-176.9	-60.4	0	0	0	0	109.3	R45 Q121 W124 P148	R45-S127 PolarHBondContact NH2-O 3.18Å; Q121-S127 PolarHBondContact NE2-OG 3.28Å; W124-S127 PolarHBondContact O-N 3.13Å; S127-P148 WeakPolarHBondContact CB-O 3.43Å; S127-P148 PolarHBondContact OG-O 3.15Å
128	N	85.1	Confident	75.8	Confident	49 Å²	49	36.8 Å²	36.8	26%	0.262	20%	0.197	S	C	.	.			trans	-119.7	-1.2	-175.2	71.9	-30.1	0	0	0	113.1	L55 M57 G58 G126 C147	L55-N128 HydrophobicContact CB-CB 3.69Å; L55-N128 HydrophobicContact CD1-CB 3.77Å; L55-N128 HydrophobicContact CG-CB 4.32Å; M57-N128 CarbonylContact C-O 3.14Å; M57-N128 WeakPolarHBondContact CA-O 3.3Å; G58-N128 PolarHBondContact N-O 3.04Å; G126-N128 PolarHBondContact O-N 3.23Å; G126-N128 VanDerWaalsContact O-N 3.11Å; N128-C147 PolarHBondContact N-O 3Å; N128-C147 PolarHBondContact OD1-O 3.29Å
129	Q	82.9	Confident	74	Confident	69 Å²	69	41.3 Å²	41.3	32%	0.322	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.6	177.8	-68.9	176.4	3.9	0	0	109.7	G58 N60 Y146 C147	G58-Q129 WeakPolarHBondContact O-CA 3.15Å; N60-Q129 HydrophobicContact CB-CB 3.98Å; N60-Q129 HydrophobicContact CB-CG 4.11Å; N60-Q129 PolarHBondContact ND2-OE1 2.8Å; Q129-Y146 CarbonylContact O-C 3.58Å; Q129-Y146 WeakPolarHBondContact O-CA 3.42Å; Q129-C147 HydrophobicContact CB-CB 3.86Å; Q129-C147 WeakPolarHBondContact CB-O 3.18Å; Q129-C147 PolarHBondContact N-O 3.06Å; Q129-C147 PolarHBondContact O-N 3.04Å
130	I	84.7	Confident	71.8	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	143.2	177.8	-159	166.1	0	0	0	110.5	I37 V38 M57 G58 W59 N60 W144 H145 Y146	I37-I130 HydrophobicContact CG2-CD1 4.22Å; I37-I130 HydrophobicContact CG2-CG2 3.98Å; V38-I130 HydrophobicContact CG2-CG2 3.89Å; M57-I130 HydrophobicContact CE-CD1 4.31Å; M57-I130 HydrophobicContact CG-CB 3.96Å; M57-I130 HydrophobicContact CG-CG2 3.82Å; M57-I130 HydrophobicContact SD-CB 4.19Å; G58-I130 PolarHBondContact O-N 3.13Å; W59-I130 HydrophobicContact CE3-CG2 4.15Å; N60-I130 PolarHBondContact N-O 3.24Å; I130-W144 HydrophobicContact CD1-CE3 3.49Å; I130-W144 VanDerWaalsContact CD1-CE3 3.49Å; I130-W144 HydrophobicContact CD1-CZ3 3.6Å; I130-W144 HydrophobicContact CG1-CE3 3.96Å; I130-W144 HydrophobicContact CG1-CZ3 4.41Å; I130-H145 WeakPolarHBondContact CA-O 3.36Å; I130-Y146 HydrophobicContact CD1-CD1 4.01Å; I130-Y146 HydrophobicContact CD1-CE1 3.43Å; I130-Y146 VanDerWaalsContact CD1-CE1 3.43Å; I130-Y146 HydrophobicContact CD1-CE2 4.47Å; I130-Y146 HydrophobicContact CG1-CD1 4.27Å; I130-Y146 HydrophobicContact CG1-CE1 4.16Å
131	S	79.5	Confident	70.1	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.014	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	160.6	164.6	61.3	0	0	0	0	110.1	N60 A63 V64 W144 H145	N60-S131 VanDerWaalsContact O-CB 3.27Å; N60-S131 WeakPolarHBondContact O-CB 3.37Å; A63-S131 WeakPolarHBondContact CB-OG 3.42Å; V64-S131 PolarHBondContact N-OG 2.7Å; S131-W144 CarbonylContact O-C 3.47Å; S131-W144 WeakPolarHBondContact O-CA 3.37Å; S131-H145 PolarHBondContact N-O 2.89Å; S131-H145 PolarHBondContact O-N 3.07Å
132	C	73.2	Confident	68.6	Low	10 Å²	10	48.6 Å²	48.6	7%	0.068	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.1	162.7	65.5	0	0	0	0	110.8	T29 I37 W59 W90 K143 W144	T29-C132 WeakPolarHBondContact CG2-SG 3.45Å; I37-C132 VanDerWaalsContact CD1-SG 3.58Å; W59-C132 HydrophobicContact CH2-CB 4.39Å; W59-C132 VanDerWaalsContact CH2-N 3.26Å; W59-C132 VanDerWaalsContact CH2-SG 3.52Å; W90-C132 HydrophobicContact CE3-CB 4.45Å; W90-C132 HydrophobicContact CH2-CB 3.87Å; W90-C132 WeakPolarHBondContact CH2-SG 3.37Å; W90-C132 HydrophobicContact CZ3-CB 3.58Å; W90-C132 WeakPolarHBondContact CZ3-SG 3.46Å; C132-K143 CarbonylContact C-O 3.52Å; C132-K143 WeakPolarHBondContact CA-O 3.39Å; C132-K143 VanDerWaalsContact CB-O 3.24Å; C132-K143 WeakPolarHBondContact CB-O 3.39Å; C132-W144 HydrophobicContact CB-CD2 4.08Å; C132-W144 HydrophobicContact CB-CG 3.95Å
133	A	59.6	Low	67.3	Low	25 Å²	25	51.6 Å²	51.6	21%	0.207	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.8	173.7	0	0	0	0	0	108	K143	A133-K143 PolarHBondContact N-O 3.01Å; A133-K143 PolarHBondContact O-N 3.28Å; A133-K143 VanDerWaalsContact O-N 3.12Å
134	V	54.9	Low	66.3	Low	20 Å²	20	51.6 Å²	51.6	12%	0.121	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	108.1	169.2	-176.3	0	0	0	0	106.9	A26 A27 W90 Y142	A26-V134 CarbonylContact C-O 3.5Å; A26-V134 WeakPolarHBondContact CA-O 3.31Å; A27-V134 HydrophobicContact CB-CB 4.02Å; A27-V134 HydrophobicContact CB-CG1 4.26Å; A27-V134 HydrophobicContact CB-CG2 4.48Å; A27-V134 PolarHBondContact N-O 2.86Å; A27-V134 WeakPolarHBondContact O-CB 2.97Å; W90-V134 HydrophobicContact CH2-CG2 3.76Å; W90-V134 HydrophobicContact CZ2-CG2 3.82Å; V134-Y142 HydrophobicContact CG1-CE1 4.32Å; V134-Y142 HydrophobicContact CG2-CD1 3.91Å; V134-Y142 HydrophobicContact CG2-CE1 3.92Å
135	T	46.8	Very low	65.6	Low	61 Å²	61	52.2 Å²	52.2	37%	0.374	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	115.5	167	-53.2	0	0	0	0	108.3	C137	T135-C137 PolarHBondContact O-N 3.05Å; T135-C137 VanDerWaalsContact O-N 3.09Å
136	Y	40.3	Very low	65.1	Low	182 Å²	182	48 Å²	48	71%	0.714	26%	0.264	S	S	*	.			trans	-72.4	105.6	175.4	-168.8	-96.2	0	0	0	109.3	G25	G25-Y136 PolarHBondContact O-N 3.26Å
137	C	38	Very low	64.8	Low	59 Å²	59	47.4 Å²	47.4	40%	0.399	26%	0.257	S	S	.	.			trans	-124.9	161.8	167.5	-73.1	0	0	0	0	107.5	T135 N139 A140	T135-C137 PolarHBondContact O-N 3.05Å; T135-C137 VanDerWaalsContact O-N 3.09Å; C137-N139 CarbonylContact O-C 3.49Å; C137-N139 PolarHBondContact O-N 3.13Å; C137-A140 PolarHBondContact O-N 3.15Å
138	P	42.5	Very low	64.5	Low	135 Å²	135	50.6 Å²	50.6	88%	0.877	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-21.9	174.3	-24.7	32.8	0	0	0	113.6
139	N	49.8	Very low	64.2	Low	138 Å²	138	49.8 Å²	49.8	74%	0.738	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	68.1	169.3	-60.4	-30.2	0	0	0	110	C137 T141	C137-N139 CarbonylContact O-C 3.49Å; C137-N139 PolarHBondContact O-N 3.13Å; N139-T141 PolarHBondContact O-N 3.42Å; N139-T141 VanDerWaalsContact O-N 3.13Å; N139-T141 PolarHBondContact O-OG1 3.05Å; N139-T141 VanDerWaalsContact O-OG1 3.11Å
140	A	48.5	Very low	64.2	Low	38 Å²	38	46.8 Å²	46.8	31%	0.314	26%	0.262	S	S	.	.			trans	-47.2	121.7	-174.2	0	0	0	0	0	111.4	C137	C137-A140 PolarHBondContact O-N 3.15Å
141	T	56.2	Low	64.3	Low	54 Å²	54	48.1 Å²	48.1	33%	0.331	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.6	-177.3	-61.8	0	0	0	0	108.1	L85 N139	L85-T141 HydrophobicContact CD1-CG2 4.21Å; L85-T141 HydrophobicContact CD2-CG2 3.58Å; L85-T141 HydrophobicContact CG-CG2 4.32Å; N139-T141 PolarHBondContact O-N 3.42Å; N139-T141 VanDerWaalsContact O-N 3.13Å; N139-T141 PolarHBondContact O-OG1 3.05Å; N139-T141 VanDerWaalsContact O-OG1 3.11Å
142	Y	60.5	Low	64.3	Low	62 Å²	62	56.5 Å²	56.5	24%	0.243	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	124	173.4	-61.6	-76.7	0	0	0	109.5	L85 M87 W90 V134	L85-Y142 VanDerWaalsContact CD2-O 3.24Å; L85-Y142 WeakPolarHBondContact CD2-O 3.39Å; M87-Y142 WeakPolarHBondContact O-CE2 3.35Å; W90-Y142 HydrophobicContact CE3-CD1 4.43Å; W90-Y142 AromaticContact CH2-CD1 3.28Å; W90-Y142 HydrophobicContact CH2-CD1 3.28Å; W90-Y142 AromaticContact CH2-CE1 3.85Å; W90-Y142 HydrophobicContact CH2-CE1 3.85Å; W90-Y142 HydrophobicContact CH2-CG 4.23Å; W90-Y142 AromaticContact CZ2-CD1 3.77Å; W90-Y142 HydrophobicContact CZ2-CD1 3.77Å; W90-Y142 AromaticContact CZ2-CE1 3.83Å; W90-Y142 HydrophobicContact CZ2-CE1 3.83Å; W90-Y142 AromaticContact CZ3-CD1 3.64Å; W90-Y142 HydrophobicContact CZ3-CD1 3.64Å; W90-Y142 HydrophobicContact CZ3-CE1 4.44Å; W90-Y142 HydrophobicContact CZ3-CG 4.17Å; V134-Y142 HydrophobicContact CG1-CE1 4.32Å; V134-Y142 HydrophobicContact CG2-CD1 3.91Å; V134-Y142 HydrophobicContact CG2-CE1 3.92Å
143	K	66.5	Low	64.8	Low	63 Å²	63	63.4 Å²	63.4	27%	0.274	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.1	175.2	-67.2	178.1	177.1	-111.4	0	109.8	E83 L85 C132 A133	E83-K143 HydrophobicContact CG-CB 4.45Å; E83-K143 HydrophobicContact CG-CG 4.44Å; E83-K143 WeakPolarHBondContact OE1-CD 3.11Å; E83-K143 WeakPolarHBondContact OE1-CE 3.32Å; E83-K143 WeakPolarHBondContact OE1-CG 3.39Å; E83-K143 IonicContact OE1-NZ 2.69Å; E83-K143 PolarHBondContact OE1-NZ 3.04Å; E83-K143 IonicContact OE2-NZ 3.93Å; L85-K143 HydrophobicContact CD2-CG 3.82Å; C132-K143 CarbonylContact C-O 3.52Å; C132-K143 WeakPolarHBondContact CA-O 3.39Å; C132-K143 VanDerWaalsContact CB-O 3.24Å; C132-K143 WeakPolarHBondContact CB-O 3.39Å; A133-K143 PolarHBondContact N-O 3.01Å; A133-K143 PolarHBondContact O-N 3.28Å; A133-K143 VanDerWaalsContact O-N 3.12Å
144	W	72.4	Confident	66.1	Low	1 Å²	1	65.5 Å²	65.5	0%	0.004	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.8	176.2	-66.9	60.9	0	0	0	109.4	I37 H41 G82 E83 W90 A93 W97 I130 S131 C132	I37-W144 HydrophobicContact CB-CH2 4.24Å; I37-W144 HydrophobicContact CB-CZ3 4.22Å; I37-W144 HydrophobicContact CD1-CH2 4.25Å; I37-W144 HydrophobicContact CD1-CZ3 4.47Å; I37-W144 HydrophobicContact CG1-CH2 3.68Å; I37-W144 HydrophobicContact CG1-CZ2 4.34Å; I37-W144 HydrophobicContact CG1-CZ3 4.06Å; I37-W144 HydrophobicContact CG2-CE3 4.18Å; I37-W144 HydrophobicContact CG2-CH2 3.81Å; I37-W144 HydrophobicContact CG2-CZ3 3.31Å; H41-W144 AromaticContact CE1-CH2 3.59Å; H41-W144 AromaticContact CE1-CZ3 3.11Å; H41-W144 WeakPolarHBondContact CE1-CZ3 3.49Å; H41-W144 AromaticContact ND1-CZ3 3.82Å; H41-W144 AromaticContact NE2-CZ3 3.91Å; G82-W144 VanDerWaalsContact O-O 3.05Å; E83-W144 VanDerWaalsContact CA-O 3.28Å; E83-W144 WeakPolarHBondContact CA-O 3.22Å; W90-W144 HydrophobicContact CB-CH2 4.38Å; W90-W144 HydrophobicContact CB-CZ2 4.15Å; W90-W144 HydrophobicContact CD2-CZ2 4.37Å; W90-W144 AromaticContact CE3-CE2 3.53Å; W90-W144 HydrophobicContact CE3-CH2 4.37Å; W90-W144 AromaticContact CE3-CZ2 3.44Å; W90-W144 HydrophobicContact CE3-CZ2 3.44Å; W90-W144 VanDerWaalsContact CE3-CZ2 3.44Å; W90-W144 AromaticContact CE3-NE1 3.49Å; W90-W144 AromaticContact CZ3-CE2 3.8Å; W90-W144 HydrophobicContact CZ3-CZ2 4.19Å; W90-W144 AromaticContact CZ3-NE1 3.36Å; A93-W144 HydrophobicContact CB-CZ2 3.9Å; W97-W144 HydrophobicContact CH2-CB 3.98Å; W97-W144 AromaticContact CH2-CD1 3.45Å; W97-W144 VanDerWaalsContact CH2-CD1 3.45Å; W97-W144 AromaticContact CH2-CD2 3.47Å; W97-W144 HydrophobicContact CH2-CD2 3.47Å; W97-W144 VanDerWaalsContact CH2-CD2 3.47Å; W97-W144 AromaticContact CH2-CE2 3.41Å; W97-W144 VanDerWaalsContact CH2-CE2 3.41Å; W97-W144 HydrophobicContact CH2-CE3 4.18Å; W97-W144 AromaticContact CH2-CG 3.42Å; W97-W144 HydrophobicContact CH2-CG 3.42Å; W97-W144 VanDerWaalsContact CH2-CG 3.42Å; W97-W144 AromaticContact CH2-CZ2 4Å; W97-W144 HydrophobicContact CH2-CZ2 4Å; W97-W144 AromaticContact CH2-NE1 3.44Å; W97-W144 HydrophobicContact CZ3-CB 4.31Å; W97-W144 AromaticContact CZ3-CD2 3.66Å; W97-W144 HydrophobicContact CZ3-CD2 3.66Å; W97-W144 AromaticContact CZ3-CE2 3.85Å; W97-W144 AromaticContact CZ3-CE3 3.88Å; W97-W144 HydrophobicContact CZ3-CE3 3.88Å; W97-W144 AromaticContact CZ3-CG 3.94Å; W97-W144 HydrophobicContact CZ3-CG 3.94Å; W97-W144 HydrophobicContact CZ3-CH2 4.36Å; W97-W144 HydrophobicContact CZ3-CZ2 4.16Å; W97-W144 HydrophobicContact CZ3-CZ3 4.24Å; I130-W144 HydrophobicContact CD1-CE3 3.49Å; I130-W144 VanDerWaalsContact CD1-CE3 3.49Å; I130-W144 HydrophobicContact CD1-CZ3 3.6Å; I130-W144 HydrophobicContact CG1-CE3 3.96Å; I130-W144 HydrophobicContact CG1-CZ3 4.41Å; S131-W144 CarbonylContact O-C 3.47Å; S131-W144 WeakPolarHBondContact O-CA 3.37Å; C132-W144 HydrophobicContact CB-CD2 4.08Å; C132-W144 HydrophobicContact CB-CG 3.95Å
145	H	78.3	Confident	67.8	Low	26 Å²	26	66.3 Å²	66.3	12%	0.12	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	123.6	178.8	-61	-77	0	0	0	109.3	G82 I130 S131	G82-H145 WeakPolarHBondContact O-CA 3.47Å; I130-H145 WeakPolarHBondContact CA-O 3.36Å; S131-H145 PolarHBondContact N-O 2.89Å; S131-H145 PolarHBondContact O-N 3.07Å
146	Y	78.1	Confident	70.1	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.2	173.9	-65.1	-97.2	0	0	0	110.5	H41 M57 G82 W97 Q121 Q129 I130 P148	H41-Y146 AromaticContact CD2-CE1 3.81Å; H41-Y146 AromaticContact NE2-CE1 3.81Å; H41-Y146 AromaticContact NE2-CZ 3.66Å; H41-Y146 PolarHBondContact NE2-OH 3.04Å; M57-Y146 HydrophobicContact CE-CD1 4.05Å; M57-Y146 HydrophobicContact CE-CE1 3.73Å; M57-Y146 HydrophobicContact SD-CD1 4.19Å; M57-Y146 HydrophobicContact SD-CE1 4.42Å; G82-Y146 PolarHBondContact O-N 2.8Å; W97-Y146 WeakPolarHBondContact CZ3-OH 3.48Å; Q121-Y146 HydrophobicContact CG-CD1 4.14Å; Q121-Y146 HydrophobicContact CG-CD2 3.35Å; Q121-Y146 HydrophobicContact CG-CE1 4.35Å; Q121-Y146 HydrophobicContact CG-CE2 3.61Å; Q121-Y146 HydrophobicContact CG-CG 3.64Å; Q121-Y146 VanDerWaalsContact NE2-CB 3.33Å; Q129-Y146 CarbonylContact O-C 3.58Å; Q129-Y146 WeakPolarHBondContact O-CA 3.42Å; I130-Y146 HydrophobicContact CD1-CD1 4.01Å; I130-Y146 HydrophobicContact CD1-CE1 3.43Å; I130-Y146 VanDerWaalsContact CD1-CE1 3.43Å; I130-Y146 HydrophobicContact CD1-CE2 4.47Å; I130-Y146 HydrophobicContact CG1-CD1 4.27Å; I130-Y146 HydrophobicContact CG1-CE1 4.16Å; Y146-P148 CarbonylContact O-C 3.52Å
147	C	76.9	Confident	72.6	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.007	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	133.3	-175.4	-66.9	0	0	0	0	111.2	A63 C66 N128 Q129	A63-C147 HydrophobicContact CB-CB 4.05Å; A63-C147 VanDerWaalsContact CB-SG 3.52Å; A63-C147 PolarHBondContact O-SG 2.75Å; C66-C147 HydrophobicContact CB-CB 4.11Å; C66-C147 WeakPolarHBondContact CB-SG 3.43Å; N128-C147 PolarHBondContact N-O 3Å; N128-C147 PolarHBondContact OD1-O 3.29Å; Q129-C147 HydrophobicContact CB-CB 3.86Å; Q129-C147 WeakPolarHBondContact CB-O 3.18Å; Q129-C147 PolarHBondContact N-O 3.06Å; Q129-C147 PolarHBondContact O-N 3.04Å
148	P	80.2	Confident	75.2	Confident	67 Å²	67	55.9 Å²	55.9	44%	0.435	29%	0.286	S	S	.	.	S	Bend	cis	-52.6	154.9	-20.9	-22.9	34.6	0	0	0	112.3	G126 S127 Y146	G126-P148 VanDerWaalsContact O-CD 3.3Å; G126-P148 WeakPolarHBondContact O-CD 3.33Å; S127-P148 WeakPolarHBondContact CB-O 3.43Å; S127-P148 PolarHBondContact OG-O 3.15Å; Y146-P148 CarbonylContact O-C 3.52Å
149	P	77.9	Confident	77.5	Confident	32 Å²	32	54.6 Å²	54.6	21%	0.208	27%	0.267	C	S	.	.			trans	-61.7	149.3	176.7	25	-33.1	0	0	0	111.3	Y152	P149-Y152 WeakPolarHBondContact CG-OH 3.25Å; P149-Y152 WeakPolarHBondContact O-CE2 3.2Å
150	G	82.8	Confident	79.6	Confident	6 Å²	6	50.5 Å²	50.5	6%	0.062	25%	0.25	C	C	.	.			trans	-106.3	-153.4	-179.4	0	0	0	0	0	114.2	W124 Y152	W124-G150 VanDerWaalsContact CE2-CA 3.49Å; W124-G150 VanDerWaalsContact CG-CA 3.48Å; G150-Y152 VanDerWaalsContact C-N 3.26Å; G150-Y152 PolarHBondContact O-N 2.79Å
151	N	86.8	Confident	81.5	Confident	29 Å²	29	49.6 Å²	49.6	16%	0.155	24%	0.244	C	C	.	.			trans	62.6	22.6	172.1	-65.7	-12.2	0	0	0	116.1	G117 T120 Q121 W153 L154	G117-N151 PolarHBondContact O-ND2 2.9Å; T120-N151 WeakPolarHBondContact CB-OD1 3.27Å; T120-N151 PolarHBondContact OG1-OD1 2.99Å; Q121-N151 PolarHBondContact N-OD1 3.32Å; N151-W153 PolarHBondContact O-N 2.97Å; N151-L154 HydrophobicContact CB-CD2 3.77Å
152	Y	80.5	Confident	82.8	Confident	177 Å²	177	51.8 Å²	51.8	69%	0.694	26%	0.259	S	S	*	.	S	Bend	trans	-68.7	-21.6	171.2	-60.5	-64.5	0	0	0	113.2	W124 P149 G150	W124-Y152 AromaticContact CZ2-CD2 3.97Å; W124-Y152 HydrophobicContact CZ2-CD2 3.97Å; P149-Y152 WeakPolarHBondContact CG-OH 3.25Å; P149-Y152 WeakPolarHBondContact O-CE2 3.2Å; G150-Y152 VanDerWaalsContact C-N 3.26Å; G150-Y152 PolarHBondContact O-N 2.79Å
153	W	82.4	Confident	83.6	Confident	156 Å²	156	52 Å²	52	59%	0.591	27%	0.267	S	S	*	.	S	Bend	trans	-149.6	93.5	-178	-172.3	-70.1	0	0	0	109.2	W124 N151 T155 H156	W124-W153 HydrophobicContact CH2-CB 4.15Å; W124-W153 VanDerWaalsContact CH2-N 3.31Å; W124-W153 VanDerWaalsContact CZ3-O 3.3Å; W124-W153 WeakPolarHBondContact CZ3-O 3.34Å; N151-W153 PolarHBondContact O-N 2.97Å; W153-T155 VanDerWaalsContact C-N 3.3Å; W153-T155 PolarHBondContact NE1-OG1 3.07Å; W153-T155 PolarHBondContact O-N 3.05Å; W153-H156 VanDerWaalsContact CD1-N 3.28Å; W153-H156 AromaticContact CD1-ND1 3.84Å; W153-H156 AromaticContact NE1-CG 3.71Å; W153-H156 AromaticContact NE1-ND1 3.08Å; W153-H156 PolarHBondContact NE1-ND1 3.11Å; W153-H156 PolarHBondContact O-N 3.39Å
154	L	87.7	Confident	83.8	Confident	69 Å²	69	49.6 Å²	49.6	36%	0.361	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-26.7	-171.1	-66.3	175.3	0	0	0	113.6	F104 T120 N151 H156	F104-L154 VanDerWaalsContact CE2-O 3.24Å; F104-L154 WeakPolarHBondContact CE2-O 3.48Å; T120-L154 HydrophobicContact CG2-CD2 4.24Å; T120-L154 VanDerWaalsContact CG2-O 3.31Å; T120-L154 WeakPolarHBondContact CG2-O 3.41Å; T120-L154 WeakPolarHBondContact OG1-CD2 3.44Å; N151-L154 HydrophobicContact CB-CD2 3.77Å; L154-H156 VanDerWaalsContact C-N 3.34Å; L154-H156 PolarHBondContact O-N 2.85Å
155	T	91.5	Very high	83.8	Confident	36 Å²	36	51.6 Å²	51.6	22%	0.221	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-14.4	-174.1	74.4	0	0	0	0	114.1	G107 V108 W153	G107-T155 WeakPolarHBondContact CA-O 3.4Å; G107-T155 PolarHBondContact N-O 2.81Å; V108-T155 VanDerWaalsContact O-CG2 3.26Å; V108-T155 WeakPolarHBondContact O-CG2 3.47Å; W153-T155 VanDerWaalsContact C-N 3.3Å; W153-T155 PolarHBondContact NE1-OG1 3.07Å; W153-T155 PolarHBondContact O-N 3.05Å
156	H	94.6	Very high	83.6	Confident	78 Å²	78	53 Å²	53	36%	0.361	29%	0.285	S	S	.	.			trans	-142.9	71.1	-177.1	-62.9	72.3	0	0	0	109.2	Y106 G107 W153 L154 Y158	Y106-H156 AromaticContact CE1-CD2 3.62Å; Y106-H156 AromaticContact CZ-CD2 3.65Å; Y106-H156 PolarHBondContact OH-CD2 2.8Å; G107-H156 VanDerWaalsContact CA-CE1 3.47Å; G107-H156 WeakPolarHBondContact CA-CE1 3.11Å; W153-H156 VanDerWaalsContact CD1-N 3.28Å; W153-H156 AromaticContact CD1-ND1 3.84Å; W153-H156 AromaticContact NE1-CG 3.71Å; W153-H156 AromaticContact NE1-ND1 3.08Å; W153-H156 PolarHBondContact NE1-ND1 3.11Å; W153-H156 PolarHBondContact O-N 3.39Å; L154-H156 VanDerWaalsContact C-N 3.34Å; L154-H156 PolarHBondContact O-N 2.85Å; H156-Y158 PolarHBondContact O-N 3.07Å
157	P	93.6	Very high	83.1	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-67	-14.6	-178.9	27.3	-34.6	0	0	0	113.7	F104 T120 V123 W124 Y125	F104-P157 HydrophobicContact CZ-CG 4.25Å; T120-P157 HydrophobicContact CG2-CB 4.24Å; T120-P157 HydrophobicContact CG2-CG 4.17Å; V123-P157 HydrophobicContact CG2-CB 4.04Å; V123-P157 HydrophobicContact CG2-CG 3.84Å; W124-P157 HydrophobicContact CE3-CB 3.8Å; W124-P157 HydrophobicContact CZ3-CB 4.09Å; Y125-P157 WeakPolarHBondContact CD1-O 3.22Å; Y125-P157 PolarHBondContact N-O 2.98Å
158	Y	92.3	Very high	82.1	Confident	5 Å²	5	54.2 Å²	54.2	2%	0.02	29%	0.293	C	S	.	.	S	Bend	trans	-150	170.3	175.3	54.8	-97.7	0	0	0	110.6	V47 Q48 P49 L54 Y106 V123 H156	V47-Y158 HydrophobicContact CB-CE1 4.15Å; V47-Y158 HydrophobicContact CG1-CE1 4.31Å; V47-Y158 HydrophobicContact CG2-CD1 4.27Å; V47-Y158 HydrophobicContact CG2-CD2 4.49Å; V47-Y158 HydrophobicContact CG2-CE1 3.71Å; V47-Y158 HydrophobicContact CG2-CE2 3.95Å; Q48-Y158 PolarHBondContact O-OH 2.69Å; P49-Y158 WeakPolarHBondContact CD-OH 3.42Å; P49-Y158 HydrophobicContact CG-CE2 4.46Å; P49-Y158 WeakPolarHBondContact O-CE2 3.3Å; P49-Y158 PolarHBondContact O-OH 3.23Å; L54-Y158 HydrophobicContact CD1-CD1 4.38Å; L54-Y158 HydrophobicContact CD1-CG 4.38Å; Y106-Y158 HydrophobicContact CD2-CD2 4.48Å; Y106-Y158 HydrophobicContact CD2-CE1 4.4Å; Y106-Y158 AromaticContact CD2-CE2 3.79Å; Y106-Y158 HydrophobicContact CD2-CE2 3.79Å; Y106-Y158 AromaticContact CD2-CZ 3.72Å; Y106-Y158 AromaticContact CE2-CD2 3.79Å; Y106-Y158 HydrophobicContact CE2-CD2 3.79Å; Y106-Y158 HydrophobicContact CE2-CE1 4.46Å; Y106-Y158 AromaticContact CE2-CE2 3.5Å; Y106-Y158 HydrophobicContact CE2-CE2 3.5Å; Y106-Y158 VanDerWaalsContact CE2-CE2 3.5Å; Y106-Y158 HydrophobicContact CE2-CG 4.38Å; Y106-Y158 AromaticContact CE2-CZ 3.87Å; Y106-Y158 VanDerWaalsContact CE2-O 3.28Å; Y106-Y158 WeakPolarHBondContact CE2-O 3.23Å; Y106-Y158 PolarHBondContact OH-O 3.27Å; V123-Y158 HydrophobicContact CB-CD1 4.28Å; V123-Y158 HydrophobicContact CB-CE1 4.35Å; V123-Y158 HydrophobicContact CG2-CD1 4.05Å; V123-Y158 HydrophobicContact CG2-CE1 3.95Å; H156-Y158 PolarHBondContact O-N 3.07Å
159	K	91.2	Very high	81	Confident	108 Å²	108	54.3 Å²	54.3	47%	0.47	29%	0.291	S	S	.	.			trans	-89.9	120	174.8	-173	175.7	178.1	179.1	0	110.1	T51 S52 N53 E166	T51-K159 WeakPolarHBondContact CA-O 3.3Å; T51-K159 PolarHBondContact OG1-O 3.02Å; S52-K159 PolarHBondContact N-O 3.45Å; S52-K159 PolarHBondContact OG-O 2.71Å; N53-K159 WeakPolarHBondContact OD1-CB 3.23Å; N53-K159 PolarHBondContact OD1-N 3.18Å; K159-E166 VanDerWaalsContact CD-OE1 3.23Å; K159-E166 WeakPolarHBondContact CD-OE1 3.42Å; K159-E166 VanDerWaalsContact CE-OE1 3.23Å; K159-E166 WeakPolarHBondContact CE-OE1 3.4Å; K159-E166 IonicContact NZ-OE1 2.63Å; K159-E166 PolarHBondContact NZ-OE1 3.15Å
160	S	92.6	Very high	80	Confident	53 Å²	53	58.5 Å²	58.5	37%	0.371	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-68.6	137	175.6	-176	0	0	0	0	111.1	P49 T50 Y106	P49-S160 WeakPolarHBondContact CB-OG 3.39Å; T50-S160 VanDerWaalsContact O-CA 3.29Å; T50-S160 WeakPolarHBondContact O-CA 3.4Å; T50-S160 PolarHBondContact O-OG 3.49Å; Y106-S160 PolarHBondContact OH-N 3.27Å; Y106-S160 VanDerWaalsContact OH-N 3.12Å
161	G	88.4	Confident	78.8	Confident	19 Å²	19	64.9 Å²	64.9	20%	0.196	35%	0.348	C	S	.	.	S	Bend	trans	170.5	-175.8	179.9	0	0	0	0	0	112.3	T50 T51 T163	T50-G161 CarbonylContact C-O 3.15Å; T50-G161 WeakPolarHBondContact CB-O 3.25Å; T50-G161 PolarHBondContact O-N 3.36Å; T50-G161 VanDerWaalsContact O-O 3.1Å; T50-G161 PolarHBondContact OG1-O 2.76Å; T51-G161 PolarHBondContact N-O 3.34Å; G161-T163 PolarHBondContact O-N 3.2Å
162	P	83.3	Confident	77.4	Confident	99 Å²	99	66.8 Å²	66.8	64%	0.643	36%	0.358	S	S	*	.	S	Bend	trans	-56.9	138.7	172.7	-21.6	32.9	0	0	0	110.7	S52 C164 G165	S52-P162 VanDerWaalsContact CA-O 3.28Å; S52-P162 WeakPolarHBondContact CA-O 3.21Å; P162-C164 PolarHBondContact O-N 3.45Å; P162-G165 PolarHBondContact O-N 3.12Å
163	T	77.4	Confident	76.5	Confident	68 Å²	68	60.5 Å²	60.5	42%	0.417	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	127.9	175.4	-57.9	0	0	0	0	110.5	T51 G161 G165 N173	T51-T163 VanDerWaalsContact O-CA 3.29Å; T51-T163 WeakPolarHBondContact O-CA 3.28Å; G161-T163 PolarHBondContact O-N 3.2Å; T163-G165 PolarHBondContact O-N 3.17Å; T163-G165 VanDerWaalsContact O-N 3.14Å; T163-N173 HydrophobicContact CG2-CB 3.6Å; T163-N173 VanDerWaalsContact CG2-CG 3.44Å; T163-N173 WeakPolarHBondContact CG2-ND2 3.28Å
164	C	70.9	Confident	75.7	Confident	11 Å²	11	53.2 Å²	53.2	7%	0.074	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	18.4	-178.5	-60.7	0	0	0	0	115.2	T51 P162 E166 C167 N172	T51-C164 PolarHBondContact O-N 2.76Å; P162-C164 PolarHBondContact O-N 3.45Å; C164-E166 PolarHBondContact O-N 3.22Å; C164-E166 VanDerWaalsContact O-N 3.08Å; C164-C167 HydrophobicContact CB-CB 3.89Å; C164-C167 PolarHBondContact O-N 2.9Å; C164-N172 VanDerWaalsContact SG-C 3.54Å; C164-N172 PolarHBondContact SG-O 2.78Å
165	G	71.9	Confident	74.8	Confident	44 Å²	44	50.1 Å²	50.1	45%	0.454	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.5	-179.1	0	0	0	0	0	114.6	S52 P162 T163	S52-G165 PolarHBondContact O-N 3Å; P162-G165 PolarHBondContact O-N 3.12Å; T163-G165 PolarHBondContact O-N 3.17Å; T163-G165 VanDerWaalsContact O-N 3.14Å
166	E	75.1	Confident	73.6	Confident	54 Å²	54	51.8 Å²	51.8	25%	0.252	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	12.6	174	-65.6	-177.9	178.6	0	0	113.3	S52 N53 K159 C164 R208	S52-E166 WeakPolarHBondContact O-CA 3.25Å; S52-E166 WeakPolarHBondContact O-CB 3.43Å; S52-E166 PolarHBondContact O-N 3.19Å; N53-E166 HydrophobicContact CB-CB 4.26Å; N53-E166 WeakPolarHBondContact CB-OE2 3.5Å; K159-E166 VanDerWaalsContact CD-OE1 3.23Å; K159-E166 WeakPolarHBondContact CD-OE1 3.42Å; K159-E166 VanDerWaalsContact CE-OE1 3.23Å; K159-E166 WeakPolarHBondContact CE-OE1 3.4Å; K159-E166 IonicContact NZ-OE1 2.63Å; K159-E166 PolarHBondContact NZ-OE1 3.15Å; C164-E166 PolarHBondContact O-N 3.22Å; C164-E166 VanDerWaalsContact O-N 3.08Å; E166-R208 PolarHBondContact O-NH2 3.09Å
167	C	67.6	Low	72.3	Confident	9 Å²	9	51.3 Å²	51.3	6%	0.061	30%	0.296	C	S	.	.			trans	-103.3	156.1	-172.1	-54.4	0	0	0	0	111.4	S52 C164 C175 R208	S52-C167 PolarHBondContact O-SG 3.47Å; C164-C167 HydrophobicContact CB-CB 3.89Å; C164-C167 PolarHBondContact O-N 2.9Å; C167-C175 HydrophobicContact CB-CB 3.58Å; C167-C175 WeakPolarHBondContact CB-SG 3.29Å; C167-C175 WeakPolarHBondContact SG-CB 3.42Å; C167-C175 CovalentContact SG-SG 1.98Å; C167-C175 PolarHBondContact SG-SG 3.17Å; C167-R208 PolarHBondContact O-NE 2.89Å
168	P	56.3	Low	71.1	Confident	18 Å²	18	53.8 Å²	53.8	12%	0.117	31%	0.31	C	S	.	.	S	Bend	trans	-81	-30.9	-174.3	-11.4	29.8	0	0	0	113.8	A204 R207 R208	P168-A204 WeakPolarHBondContact CB-O 3.36Å; P168-A204 HydrophobicContact CG-CB 3.55Å; P168-A204 WeakPolarHBondContact CG-O 3.47Å; P168-R207 HydrophobicContact CB-CB 3.34Å; P168-R207 HydrophobicContact CG-CB 4.08Å; P168-R208 HydrophobicContact CB-CG 4.09Å
169	D	57.1	Low	70.1	Confident	70 Å²	70	54.7 Å²	54.7	37%	0.374	32%	0.315	S	S	.	.	S	Bend	trans	-94	129	169.5	-88.9	-33.5	0	0	0	108.6	D171 N172	D169-D171 PolarHBondContact O-N 2.9Å; D169-N172 HydrophobicContact CB-CB 4.29Å; D169-N172 PolarHBondContact OD2-ND2 2.99Å
170	T	56	Low	69.2	Low	120 Å²	120	55.3 Å²	55.3	74%	0.736	32%	0.319	S	S	*	.	S	Bend	trans	-73.7	-13.4	178.5	53.3	0	0	0	0	113.3
171	D	56.8	Low	68.2	Low	139 Å²	139	57.3 Å²	57.3	74%	0.743	32%	0.319	S	S	*	.	S	Bend	trans	-118.8	-5.4	-163.4	-65	0.9	0	0	0	114.1	D169	D169-D171 PolarHBondContact O-N 2.9Å
172	N	59.2	Low	67.5	Low	69 Å²	69	62.3 Å²	62.3	37%	0.369	35%	0.351	S	S	.	.			trans	-110.4	96.1	-174.7	-78.2	-35.5	0	0	0	112.1	C164 D169 P174 C175	C164-N172 VanDerWaalsContact SG-C 3.54Å; C164-N172 PolarHBondContact SG-O 2.78Å; D169-N172 HydrophobicContact CB-CB 4.29Å; D169-N172 PolarHBondContact OD2-ND2 2.99Å; N172-P174 CarbonylContact C-O 3.57Å; N172-P174 CarbonylContact O-C 3.54Å; N172-C175 PolarHBondContact O-N 3.1Å
173	N	60.3	Low	67.4	Low	46 Å²	46	61 Å²	61	25%	0.246	34%	0.339	C	S	.	.	S	Bend	trans	-100	122	167.2	-174.6	24.6	0	0	0	110.2	H46 T163	H46-N173 PolarHBondContact CD2-ND2 2.8Å; H46-N173 PolarHBondContact NE2-ND2 3.46Å; T163-N173 HydrophobicContact CG2-CB 3.6Å; T163-N173 VanDerWaalsContact CG2-CG 3.44Å; T163-N173 WeakPolarHBondContact CG2-ND2 3.28Å
174	P	65.9	Low	67.6	Low	3 Å²	3	57.7 Å²	57.7	2%	0.019	32%	0.319	C	S	.	.	S	Bend	cis	-78.2	165.8	-1	-3.6	21.1	0	0	0	113.3	N42 R45 L54 L55 K56 N172	N42-P174 HydrophobicContact CB-CG 4.23Å; R45-P174 HydrophobicContact CB-CG 3.93Å; L54-P174 WeakPolarHBondContact O-CB 3.21Å; L55-P174 WeakPolarHBondContact O-CB 3.34Å; K56-P174 HydrophobicContact CB-CB 4.3Å; K56-P174 WeakPolarHBondContact CB-O 3.35Å; N172-P174 CarbonylContact C-O 3.57Å; N172-P174 CarbonylContact O-C 3.54Å
175	C	68.6	Low	68.2	Low	3 Å²	3	59.9 Å²	59.9	2%	0.02	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-71.8	133.6	-165.6	-58.9	0	0	0	0	114.6	L54 L55 K56 C167 N172 Y177	L54-C175 WeakPolarHBondContact O-CB 3.17Å; L54-C175 PolarHBondContact O-N 3.37Å; L54-C175 PolarHBondContact O-SG 2.78Å; L55-C175 CarbonylContact C-O 3.51Å; L55-C175 WeakPolarHBondContact CA-O 3.23Å; L55-C175 HydrophobicContact CD2-CB 4.42Å; L55-C175 WeakPolarHBondContact CD2-O 3.41Å; K56-C175 PolarHBondContact N-O 3.46Å; C167-C175 HydrophobicContact CB-CB 3.58Å; C167-C175 WeakPolarHBondContact CB-SG 3.29Å; C167-C175 WeakPolarHBondContact SG-CB 3.42Å; C167-C175 CovalentContact SG-SG 1.98Å; C167-C175 PolarHBondContact SG-SG 3.17Å; N172-C175 PolarHBondContact O-N 3.1Å; C175-Y177 PolarHBondContact O-N 2.63Å
176	L	67.1	Low	68.9	Low	71 Å²	71	63 Å²	63	37%	0.372	34%	0.335	S	S	.	.	S	Bend	trans	-74.7	-26.8	-173.2	-154	67.8	0	0	0	114.1	K56	K56-L176 HydrophobicContact CB-CD1 4.46Å; K56-L176 HydrophobicContact CD-CD1 3.85Å
177	Y	67.5	Low	69.6	Low	69 Å²	69	61.7 Å²	61.7	27%	0.271	33%	0.33	S	S	.	.			trans	-140	150.6	-178.3	-51	-81.3	0	0	0	111	L55 C175 R207	L55-Y177 VanDerWaalsContact CD2-C 3.45Å; C175-Y177 PolarHBondContact O-N 2.63Å; Y177-R207 VanDerWaalsContact CD2-CD 3.44Å; Y177-R207 VanDerWaalsContact OH-CZ 3.24Å; Y177-R207 PolarHBondContact OH-NH1 3.03Å; Y177-R207 PolarHBondContact OH-NH2 3.11Å
178	N	68.1	Low	70.5	Confident	52 Å²	52	62.5 Å²	62.5	28%	0.278	33%	0.333	S	S	.	.			trans	-138.1	155	169.9	-174.5	33.3	0	0	0	109.2	L55 P203	L55-N178 HydrophobicContact CD1-CB 3.72Å; L55-N178 HydrophobicContact CD2-CB 3.39Å; L55-N178 HydrophobicContact CG-CB 3.79Å; N178-P203 WeakPolarHBondContact O-CG 3.44Å
179	D	71.5	Confident	71.9	Confident	24 Å²	24	69.9 Å²	69.9	13%	0.128	37%	0.366	C	S	.	.			trans	-76.5	141.5	172.9	-70.9	-23.4	0	0	0	110.8	Y181 C184 C202 A204 S205	D179-Y181 VanDerWaalsContact C-N 3.34Å; D179-C184 HydrophobicContact CB-CB 3.62Å; D179-C184 VanDerWaalsContact CB-SG 3.57Å; D179-C184 VanDerWaalsContact OD2-CB 3.24Å; D179-C184 WeakPolarHBondContact OD2-CB 3.18Å; D179-C202 WeakPolarHBondContact OD1-CA 3.42Å; D179-A204 WeakPolarHBondContact OD1-CA 3.49Å; D179-A204 VanDerWaalsContact OD1-CB 3.3Å; D179-A204 WeakPolarHBondContact OD1-CB 3.3Å; D179-A204 PolarHBondContact OD1-N 3.43Å; D179-S205 PolarHBondContact OD1-N 3.28Å; D179-S205 VanDerWaalsContact OD2-CB 3.31Å; D179-S205 WeakPolarHBondContact OD2-CB 3.2Å; D179-S205 PolarHBondContact OD2-N 3.39Å; D179-S205 PolarHBondContact OD2-OG 3.33Å
180	Q	71.4	Confident	73.6	Confident	121 Å²	121	72.9 Å²	72.9	57%	0.565	38%	0.378	S	S	*	.	S	Bend	trans	-72.4	-30.1	175.7	-174.7	177.6	-12.9	0	0	111.7	W201	Q180-W201 HydrophobicContact CB-CB 4.34Å; Q180-W201 WeakPolarHBondContact CB-O 3.36Å; Q180-W201 PolarHBondContact N-O 2.74Å; Q180-W201 VanDerWaalsContact OE1-CD1 3.25Å
181	Y	72.8	Confident	75.2	Confident	94 Å²	94	74 Å²	74	37%	0.369	37%	0.369	S	S	.	.	S	Bend	trans	-122.6	143.4	-177.7	-56.6	-69.1	0	0	0	111.8	D179 N183 C184 W201	D179-Y181 VanDerWaalsContact C-N 3.34Å; Y181-N183 VanDerWaalsContact CB-OD1 3.28Å; Y181-N183 WeakPolarHBondContact CB-OD1 3.03Å; Y181-N183 PolarHBondContact O-N 3.01Å; Y181-C184 VanDerWaalsContact O-CB 3.28Å; Y181-C184 WeakPolarHBondContact O-CB 3.28Å; Y181-C184 PolarHBondContact O-N 2.77Å; Y181-C184 PolarHBondContact O-SG 3.22Å; Y181-W201 HydrophobicContact CD2-CB 3.75Å; Y181-W201 HydrophobicContact CD2-CD2 4.33Å; Y181-W201 HydrophobicContact CD2-CE3 4.29Å; Y181-W201 HydrophobicContact CD2-CG 4.14Å; Y181-W201 HydrophobicContact CE2-CB 3.69Å; Y181-W201 AromaticContact CE2-CD2 3.62Å; Y181-W201 HydrophobicContact CE2-CD2 3.62Å; Y181-W201 AromaticContact CE2-CE3 3.81Å; Y181-W201 HydrophobicContact CE2-CE3 3.81Å; Y181-W201 AromaticContact CE2-CG 3.57Å; Y181-W201 HydrophobicContact CE2-CG 3.57Å
182	S	72.6	Confident	76.6	Confident	124 Å²	124	68.3 Å²	68.3	87%	0.867	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-21.3	179.2	56.8	0	0	0	0	113.4	C184	S182-C184 VanDerWaalsContact C-N 3.32Å
183	N	80.6	Confident	77.9	Confident	71 Å²	71	65.1 Å²	65.1	38%	0.38	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	17.7	177.7	71.6	-43.2	0	0	0	113.4	Y181 P185 E186 L187	Y181-N183 VanDerWaalsContact CB-OD1 3.28Å; Y181-N183 WeakPolarHBondContact CB-OD1 3.03Å; Y181-N183 PolarHBondContact O-N 3.01Å; N183-P185 VanDerWaalsContact C-CD 3.45Å; N183-E186 WeakPolarHBondContact CA-OE2 3.28Å; N183-E186 PolarHBondContact O-N 3.34Å; N183-E186 VanDerWaalsContact O-OE2 3.09Å; N183-L187 WeakPolarHBondContact O-CG 3.46Å; N183-L187 PolarHBondContact O-N 2.95Å
184	C	82.3	Confident	79.2	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-59.4	-34.8	178	-86.9	0	0	0	0	115	D179 Y181 S182 E186 L187 Q188 W201 C202	D179-C184 HydrophobicContact CB-CB 3.62Å; D179-C184 VanDerWaalsContact CB-SG 3.57Å; D179-C184 VanDerWaalsContact OD2-CB 3.24Å; D179-C184 WeakPolarHBondContact OD2-CB 3.18Å; Y181-C184 VanDerWaalsContact O-CB 3.28Å; Y181-C184 WeakPolarHBondContact O-CB 3.28Å; Y181-C184 PolarHBondContact O-N 2.77Å; Y181-C184 PolarHBondContact O-SG 3.22Å; S182-C184 VanDerWaalsContact C-N 3.32Å; C184-E186 VanDerWaalsContact C-N 3.31Å; C184-E186 PolarHBondContact O-N 2.87Å; C184-L187 PolarHBondContact O-N 2.93Å; C184-Q188 WeakPolarHBondContact O-CB 3.35Å; C184-Q188 PolarHBondContact O-N 2.87Å; C184-W201 PolarHBondContact SG-O 3.39Å; C184-C202 WeakPolarHBondContact CA-SG 3.19Å; C184-C202 HydrophobicContact CB-CB 3.44Å; C184-C202 VanDerWaalsContact CB-CB 3.44Å; C184-C202 WeakPolarHBondContact CB-SG 3.39Å; C184-C202 WeakPolarHBondContact SG-CA 3.09Å; C184-C202 WeakPolarHBondContact SG-CB 3.48Å; C184-C202 CovalentContact SG-SG 2.03Å; C184-C202 PolarHBondContact SG-SG 3.11Å
185	P	83.3	Confident	80.3	Confident	56 Å²	56	72 Å²	72	36%	0.364	37%	0.369	S	S	.	.	H	α-helix	trans	-59.5	-39.7	171.4	-26.7	36.6	0	0	0	113.1	N183 Q189	N183-P185 VanDerWaalsContact C-CD 3.45Å; P185-Q189 WeakPolarHBondContact O-CG 3.11Å; P185-Q189 PolarHBondContact O-N 2.72Å; P185-Q189 VanDerWaalsContact O-N 3.14Å
186	E	87.9	Confident	81.2	Confident	109 Å²	109	76 Å²	76	51%	0.509	40%	0.397	S	S	.	.	H	α-helix	trans	-71.9	-41.9	176.8	-63.7	78.4	-175.1	0	0	111.4	N183 C184 Q188 Q189 Q190	N183-E186 WeakPolarHBondContact CA-OE2 3.28Å; N183-E186 PolarHBondContact O-N 3.34Å; N183-E186 VanDerWaalsContact O-OE2 3.09Å; C184-E186 VanDerWaalsContact C-N 3.31Å; C184-E186 PolarHBondContact O-N 2.87Å; E186-Q188 VanDerWaalsContact C-N 3.32Å; E186-Q188 PolarHBondContact O-N 3.14Å; E186-Q189 PolarHBondContact O-N 2.69Å; E186-Q190 WeakPolarHBondContact O-CB 3.28Å; E186-Q190 PolarHBondContact O-N 3.12Å
187	L	87.9	Confident	82.2	Confident	27 Å²	27	75.9 Å²	75.9	14%	0.141	40%	0.398	C	S	.	.	H	α-helix	trans	-61.6	-41.1	176.4	-69.7	173.5	0	0	0	111.6	N183 C184 Q190 W191 V198	N183-L187 WeakPolarHBondContact O-CG 3.46Å; N183-L187 PolarHBondContact O-N 2.95Å; C184-L187 PolarHBondContact O-N 2.93Å; L187-Q190 PolarHBondContact O-N 2.76Å; L187-W191 PolarHBondContact O-N 3.31Å; L187-V198 HydrophobicContact CB-CG1 4.38Å; L187-V198 HydrophobicContact CB-CG2 4.28Å
188	Q	86.3	Confident	83	Confident	27 Å²	27	72.8 Å²	72.8	13%	0.126	39%	0.386	C	S	.	.	H	α-helix	trans	-60.2	-47.4	173.1	174.4	-179.8	29	0	0	111.6	C184 E186 Q190 G192 S205 T209	C184-Q188 WeakPolarHBondContact O-CB 3.35Å; C184-Q188 PolarHBondContact O-N 2.87Å; E186-Q188 VanDerWaalsContact C-N 3.32Å; E186-Q188 PolarHBondContact O-N 3.14Å; Q188-Q190 VanDerWaalsContact C-N 3.29Å; Q188-Q190 PolarHBondContact O-N 3Å; Q188-G192 WeakPolarHBondContact O-CA 3.24Å; Q188-G192 PolarHBondContact O-N 3Å; Q188-S205 PolarHBondContact NE2-O 3.24Å; Q188-S205 PolarHBondContact OE1-O 3.39Å; Q188-T209 PolarHBondContact NE2-OG1 3.31Å
189	Q	87.6	Confident	83.7	Confident	172 Å²	172	71.2 Å²	71.2	80%	0.804	38%	0.38	S	S	*	.	H	α-helix	trans	-65	-35.5	179.1	-76.9	-179.3	21.8	0	0	112.5	P185 E186	P185-Q189 WeakPolarHBondContact O-CG 3.11Å; P185-Q189 PolarHBondContact O-N 2.72Å; P185-Q189 VanDerWaalsContact O-N 3.14Å; E186-Q189 PolarHBondContact O-N 2.69Å
190	Q	92	Very high	84.1	Confident	133 Å²	133	74 Å²	74	62%	0.621	40%	0.401	S	S	*	.	H	α-helix	trans	-79.2	-42.6	-175	-173.1	178.3	3.9	0	0	113	E186 L187 Q188	E186-Q190 WeakPolarHBondContact O-CB 3.28Å; E186-Q190 PolarHBondContact O-N 3.12Å; L187-Q190 PolarHBondContact O-N 2.76Å; Q188-Q190 VanDerWaalsContact C-N 3.29Å; Q188-Q190 PolarHBondContact O-N 3Å
191	W	89.4	Confident	84.6	Confident	144 Å²	144	72.5 Å²	72.5	55%	0.545	39%	0.39	S	S	.	.	H	α-helix	trans	-116.4	-13.9	-170.6	-57.9	96.8	0	0	0	113.7	L187 H195 V198	L187-W191 PolarHBondContact O-N 3.31Å; W191-H195 HydrophobicContact CB-CB 4.14Å; W191-V198 HydrophobicContact CB-CG2 3.92Å; W191-V198 HydrophobicContact CG-CG2 4.45Å
192	G	86.9	Confident	85	Confident	20 Å²	20	68 Å²	68	21%	0.206	37%	0.373	C	S	.	.			trans	71.4	164.7	-175.6	0	0	0	0	0	113.3	Q188 S194 H195	Q188-G192 WeakPolarHBondContact O-CA 3.24Å; Q188-G192 PolarHBondContact O-N 3Å; G192-S194 VanDerWaalsContact C-N 3.28Å; G192-S194 PolarHBondContact O-N 3.19Å; G192-H195 PolarHBondContact O-N 3.3Å
193	C	85.7	Confident	85.3	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.014	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-7.6	-178.8	-69.2	0	0	0	0	114.6	H195 A199 C206 Q211	C193-H195 PolarHBondContact O-N 3.08Å; C193-A199 WeakPolarHBondContact O-CB 3.49Å; C193-C206 VanDerWaalsContact CA-SG 3.53Å; C193-C206 HydrophobicContact CB-CB 3.64Å; C193-C206 WeakPolarHBondContact CB-SG 3.5Å; C193-C206 WeakPolarHBondContact SG-CA 3.28Å; C193-C206 WeakPolarHBondContact SG-CB 3.47Å; C193-C206 CovalentContact SG-SG 2.03Å; C193-C206 PolarHBondContact SG-SG 2.87Å; C193-Q211 HydrophobicContact CB-CB 4.35Å
194	S	87.5	Confident	84.9	Confident	122 Å²	122	60.1 Å²	60.1	85%	0.853	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-12.5	170.4	-50.9	0	0	0	0	112.6	G192	G192-S194 VanDerWaalsContact C-N 3.28Å; G192-S194 PolarHBondContact O-N 3.19Å
195	H	89.6	Confident	84.7	Confident	70 Å²	70	60.4 Å²	60.4	32%	0.324	32%	0.324	S	S	.	.	S	Bend	trans	-76.4	121.8	173.7	-169.1	-74.8	0	0	0	109.8	W191 G192 C193 D197 V198 A199	W191-H195 HydrophobicContact CB-CB 4.14Å; G192-H195 PolarHBondContact O-N 3.3Å; C193-H195 PolarHBondContact O-N 3.08Å; H195-D197 VanDerWaalsContact C-N 3.29Å; H195-D197 IonicContact CE1-OD2 3.47Å; H195-D197 PolarHBondContact CE1-OD2 3.1Å; H195-D197 PolarHBondContact ND1-N 2.97Å; H195-D197 PolarHBondContact O-N 2.99Å; H195-V198 HydrophobicContact CB-CB 4.2Å; H195-V198 HydrophobicContact CB-CG2 4.15Å; H195-V198 PolarHBondContact O-N 3.38Å; H195-A199 PolarHBondContact O-N 3.16Å
196	S	86.3	Confident	84.4	Confident	87 Å²	87	57.7 Å²	57.7	61%	0.608	31%	0.307	S	S	*	.	H	α-helix	trans	-54	-42.6	-172.4	56	0	0	0	0	113.6	A199 S200	S196-A199 PolarHBondContact O-N 3.11Å; S196-S200 VanDerWaalsContact O-CB 3.26Å; S196-S200 WeakPolarHBondContact O-CB 3.12Å; S196-S200 PolarHBondContact O-N 2.98Å
197	D	88.6	Confident	83.7	Confident	70 Å²	70	57.2 Å²	57.2	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-70.9	-36.1	-178.9	-60.3	-23.9	0	0	0	111.8	H195 S200 W201	H195-D197 VanDerWaalsContact C-N 3.29Å; H195-D197 IonicContact CE1-OD2 3.47Å; H195-D197 PolarHBondContact CE1-OD2 3.1Å; H195-D197 PolarHBondContact ND1-N 2.97Å; H195-D197 PolarHBondContact O-N 2.99Å; D197-S200 PolarHBondContact O-N 3.32Å; D197-W201 HydrophobicContact CB-CD2 4.07Å; D197-W201 HydrophobicContact CB-CE3 3.97Å; D197-W201 HydrophobicContact CB-CH2 3.74Å; D197-W201 HydrophobicContact CB-CZ2 3.85Å; D197-W201 HydrophobicContact CB-CZ3 3.81Å; D197-W201 VanDerWaalsContact O-CB 3.25Å; D197-W201 WeakPolarHBondContact O-CB 3.24Å; D197-W201 VanDerWaalsContact O-CD2 3.24Å; D197-W201 PolarHBondContact O-N 3.37Å
198	V	85.1	Confident	82.6	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.024	32%	0.317	C	S	.	.	H	α-helix	trans	-72.9	-39.3	177.3	179.2	0	0	0	0	110.2	L187 W191 H195 S200 C202	L187-V198 HydrophobicContact CB-CG1 4.38Å; L187-V198 HydrophobicContact CB-CG2 4.28Å; W191-V198 HydrophobicContact CB-CG2 3.92Å; W191-V198 HydrophobicContact CG-CG2 4.45Å; H195-V198 HydrophobicContact CB-CB 4.2Å; H195-V198 HydrophobicContact CB-CG2 4.15Å; H195-V198 PolarHBondContact O-N 3.38Å; V198-S200 VanDerWaalsContact C-N 3.26Å; V198-S200 PolarHBondContact O-N 3.44Å; V198-C202 HydrophobicContact CG1-CB 4.11Å; V198-C202 CarbonylContact O-C 3.58Å; V198-C202 VanDerWaalsContact O-CA 3.25Å; V198-C202 WeakPolarHBondContact O-CA 3.39Å; V198-C202 WeakPolarHBondContact O-CB 3.49Å; V198-C202 PolarHBondContact O-N 3.49Å
199	A	82.9	Confident	81.3	Confident	19 Å²	19	63.7 Å²	63.7	16%	0.157	33%	0.329	C	S	.	.	H	α-helix	trans	-59.9	-38.6	172.4	0	0	0	0	0	112.3	C193 H195 S196	C193-A199 WeakPolarHBondContact O-CB 3.49Å; H195-A199 PolarHBondContact O-N 3.16Å; S196-A199 PolarHBondContact O-N 3.11Å
200	S	80	Confident	79.6	Confident	82 Å²	82	63 Å²	63	57%	0.573	33%	0.33	S	S	*	.	H	α-helix	trans	-75.6	-47	-179	-175.3	0	0	0	0	112.7	S196 D197 V198	S196-S200 VanDerWaalsContact O-CB 3.26Å; S196-S200 WeakPolarHBondContact O-CB 3.12Å; S196-S200 PolarHBondContact O-N 2.98Å; D197-S200 PolarHBondContact O-N 3.32Å; V198-S200 VanDerWaalsContact C-N 3.26Å; V198-S200 PolarHBondContact O-N 3.44Å
201	W	81.6	Confident	77.3	Confident	89 Å²	89	61.5 Å²	61.5	34%	0.337	32%	0.324	S	S	.	.	H	α-helix	trans	-84.2	-26	-176.3	-56.5	-25.2	0	0	0	113.1	Q180 Y181 C184 D197 P203	Q180-W201 HydrophobicContact CB-CB 4.34Å; Q180-W201 WeakPolarHBondContact CB-O 3.36Å; Q180-W201 PolarHBondContact N-O 2.74Å; Q180-W201 VanDerWaalsContact OE1-CD1 3.25Å; Y181-W201 HydrophobicContact CD2-CB 3.75Å; Y181-W201 HydrophobicContact CD2-CD2 4.33Å; Y181-W201 HydrophobicContact CD2-CE3 4.29Å; Y181-W201 HydrophobicContact CD2-CG 4.14Å; Y181-W201 HydrophobicContact CE2-CB 3.69Å; Y181-W201 AromaticContact CE2-CD2 3.62Å; Y181-W201 HydrophobicContact CE2-CD2 3.62Å; Y181-W201 AromaticContact CE2-CE3 3.81Å; Y181-W201 HydrophobicContact CE2-CE3 3.81Å; Y181-W201 AromaticContact CE2-CG 3.57Å; Y181-W201 HydrophobicContact CE2-CG 3.57Å; C184-W201 PolarHBondContact SG-O 3.39Å; D197-W201 HydrophobicContact CB-CD2 4.07Å; D197-W201 HydrophobicContact CB-CE3 3.97Å; D197-W201 HydrophobicContact CB-CH2 3.74Å; D197-W201 HydrophobicContact CB-CZ2 3.85Å; D197-W201 HydrophobicContact CB-CZ3 3.81Å; D197-W201 VanDerWaalsContact O-CB 3.25Å; D197-W201 WeakPolarHBondContact O-CB 3.24Å; D197-W201 VanDerWaalsContact O-CD2 3.24Å; D197-W201 PolarHBondContact O-N 3.37Å; W201-P203 WeakPolarHBondContact O-CD 3.4Å
202	C	81.6	Confident	75	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.334	C	S	.	.			trans	-122.9	48.4	-174.5	-51.7	0	0	0	0	112.9	D179 C184 V198 A204 S205 C206	D179-C202 WeakPolarHBondContact OD1-CA 3.42Å; C184-C202 WeakPolarHBondContact CA-SG 3.19Å; C184-C202 HydrophobicContact CB-CB 3.44Å; C184-C202 VanDerWaalsContact CB-CB 3.44Å; C184-C202 WeakPolarHBondContact CB-SG 3.39Å; C184-C202 WeakPolarHBondContact SG-CA 3.09Å; C184-C202 WeakPolarHBondContact SG-CB 3.48Å; C184-C202 CovalentContact SG-SG 2.03Å; C184-C202 PolarHBondContact SG-SG 3.11Å; V198-C202 HydrophobicContact CG1-CB 4.11Å; V198-C202 CarbonylContact O-C 3.58Å; V198-C202 VanDerWaalsContact O-CA 3.25Å; V198-C202 WeakPolarHBondContact O-CA 3.39Å; V198-C202 WeakPolarHBondContact O-CB 3.49Å; V198-C202 PolarHBondContact O-N 3.49Å; C202-A204 PolarHBondContact O-N 3.21Å; C202-S205 PolarHBondContact O-N 3.18Å; C202-C206 WeakPolarHBondContact O-CB 3.45Å; C202-C206 PolarHBondContact O-N 2.89Å; C202-C206 PolarHBondContact O-SG 3.33Å
203	P	77.6	Confident	72.9	Confident	29 Å²	29	66.8 Å²	66.8	19%	0.188	36%	0.355	C	S	.	.	H	α-helix	trans	-65.2	-25.2	-175	29.3	-36.2	0	0	0	112.2	N178 W201 R207	N178-P203 WeakPolarHBondContact O-CG 3.44Å; W201-P203 WeakPolarHBondContact O-CD 3.4Å; P203-R207 WeakPolarHBondContact O-CB 3.42Å; P203-R207 VanDerWaalsContact O-CG 3.32Å; P203-R207 WeakPolarHBondContact O-CG 3.26Å; P203-R207 PolarHBondContact O-N 3.01Å
204	A	73.4	Confident	72.3	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.008	37%	0.372	C	S	.	.	H	α-helix	trans	-78.3	-46.5	179.5	0	0	0	0	0	111.9	P168 D179 C202 C206 R207 R208	P168-A204 WeakPolarHBondContact CB-O 3.36Å; P168-A204 HydrophobicContact CG-CB 3.55Å; P168-A204 WeakPolarHBondContact CG-O 3.47Å; D179-A204 WeakPolarHBondContact OD1-CA 3.49Å; D179-A204 VanDerWaalsContact OD1-CB 3.3Å; D179-A204 WeakPolarHBondContact OD1-CB 3.3Å; D179-A204 PolarHBondContact OD1-N 3.43Å; C202-A204 PolarHBondContact O-N 3.21Å; A204-C206 VanDerWaalsContact C-N 3.26Å; A204-C206 PolarHBondContact O-N 2.65Å; A204-R207 PolarHBondContact O-N 2.82Å; A204-R208 PolarHBondContact O-N 3.13Å
205	S	77.8	Confident	71.5	Confident	5 Å²	5	67.3 Å²	67.3	4%	0.035	35%	0.347	C	S	.	.	H	α-helix	trans	-56.6	-42.3	172.2	-77.4	0	0	0	0	111.3	D179 Q188 C202	D179-S205 PolarHBondContact OD1-N 3.28Å; D179-S205 VanDerWaalsContact OD2-CB 3.31Å; D179-S205 WeakPolarHBondContact OD2-CB 3.2Å; D179-S205 PolarHBondContact OD2-N 3.39Å; D179-S205 PolarHBondContact OD2-OG 3.33Å; Q188-S205 PolarHBondContact NE2-O 3.24Å; Q188-S205 PolarHBondContact OE1-O 3.39Å; C202-S205 PolarHBondContact O-N 3.18Å
206	C	77.5	Confident	70.5	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-67.3	-43.1	-179.2	-74	0	0	0	0	114.2	C193 C202 A204 R208 T209	C193-C206 VanDerWaalsContact CA-SG 3.53Å; C193-C206 HydrophobicContact CB-CB 3.64Å; C193-C206 WeakPolarHBondContact CB-SG 3.5Å; C193-C206 WeakPolarHBondContact SG-CA 3.28Å; C193-C206 WeakPolarHBondContact SG-CB 3.47Å; C193-C206 CovalentContact SG-SG 2.03Å; C193-C206 PolarHBondContact SG-SG 2.87Å; C202-C206 WeakPolarHBondContact O-CB 3.45Å; C202-C206 PolarHBondContact O-N 2.89Å; C202-C206 PolarHBondContact O-SG 3.33Å; A204-C206 VanDerWaalsContact C-N 3.26Å; A204-C206 PolarHBondContact O-N 2.65Å; C206-R208 PolarHBondContact O-N 2.96Å; C206-T209 PolarHBondContact O-N 2.87Å; C206-T209 PolarHBondContact O-OG1 3.12Å
207	R	72.8	Confident	69.6	Low	99 Å²	99	66 Å²	66	37%	0.374	33%	0.333	S	S	.	.	H	α-helix	trans	-68.3	-30.1	-180	-76	-179.9	179.5	-124	2.4	114.1	P168 Y177 P203 A204 T209 N210 I213	P168-R207 HydrophobicContact CB-CB 3.34Å; P168-R207 HydrophobicContact CG-CB 4.08Å; Y177-R207 VanDerWaalsContact CD2-CD 3.44Å; Y177-R207 VanDerWaalsContact OH-CZ 3.24Å; Y177-R207 PolarHBondContact OH-NH1 3.03Å; Y177-R207 PolarHBondContact OH-NH2 3.11Å; P203-R207 WeakPolarHBondContact O-CB 3.42Å; P203-R207 VanDerWaalsContact O-CG 3.32Å; P203-R207 WeakPolarHBondContact O-CG 3.26Å; P203-R207 PolarHBondContact O-N 3.01Å; A204-R207 PolarHBondContact O-N 2.82Å; R207-T209 PolarHBondContact O-N 2.87Å; R207-N210 PolarHBondContact O-N 3.22Å; R207-I213 HydrophobicContact CG-CD1 3.49Å; R207-I213 VanDerWaalsContact CG-CD1 3.49Å; R207-I213 HydrophobicContact CG-CG1 4.43Å
208	R	64.4	Low	68.4	Low	129 Å²	129	65.8 Å²	65.8	49%	0.487	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-19	177.1	-85.9	-158.2	-144.1	150.5	19.1	114.2	E166 C167 P168 A204 C206	E166-R208 PolarHBondContact O-NH2 3.09Å; C167-R208 PolarHBondContact O-NE 2.89Å; P168-R208 HydrophobicContact CB-CG 4.09Å; A204-R208 PolarHBondContact O-N 3.13Å; C206-R208 PolarHBondContact O-N 2.96Å
209	T	57.8	Low	67.3	Low	61 Å²	61	69.9 Å²	69.9	37%	0.374	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	2.6	-171.4	58.5	0	0	0	0	114.5	Q188 C206 R207 Q211	Q188-T209 PolarHBondContact NE2-OG1 3.31Å; C206-T209 PolarHBondContact O-N 2.87Å; C206-T209 PolarHBondContact O-OG1 3.12Å; R207-T209 PolarHBondContact O-N 2.87Å; T209-Q211 PolarHBondContact O-N 3.49Å; T209-Q211 WeakPolarHBondContact OG1-CB 3.31Å; T209-Q211 WeakPolarHBondContact OG1-CG 3.48Å
210	N	53.3	Low	66.2	Low	156 Å²	156	73.5 Å²	73.5	83%	0.834	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	17.8	-168.1	-91.8	-1.6	0	0	0	113.2	R207 I212	R207-N210 PolarHBondContact O-N 3.22Å; N210-I212 PolarHBondContact O-N 3.36Å
211	Q	43.8	Very low	65.1	Low	103 Å²	103	72.8 Å²	72.8	48%	0.481	35%	0.348	S	S	.	.			trans	-78.9	106.8	170.7	-67.3	-175.5	-2.4	0	0	106	C193 T209 I213	C193-Q211 HydrophobicContact CB-CB 4.35Å; T209-Q211 PolarHBondContact O-N 3.49Å; T209-Q211 WeakPolarHBondContact OG1-CB 3.31Å; T209-Q211 WeakPolarHBondContact OG1-CG 3.48Å; Q211-I213 PolarHBondContact O-N 3.29Å
212	I	39.8	Very low	63.7	Low	147 Å²	147	71.5 Å²	71.5	75%	0.754	35%	0.349	S	S	*	.			trans	-40.3	126.9	-176.2	-59.5	173.3	0	0	0	110.7	N210	N210-I212 PolarHBondContact O-N 3.36Å
213	I	44.7	Very low	62.1	Low	128 Å²	128	78 Å²	78	66%	0.656	38%	0.381	S	S	*	.			trans	-77.5	0	160.4	-59.3	168.4	0	0	0	107.9	R207 Q211	R207-I213 HydrophobicContact CG-CD1 3.49Å; R207-I213 VanDerWaalsContact CG-CD1 3.49Å; R207-I213 HydrophobicContact CG-CG1 4.43Å; Q211-I213 PolarHBondContact O-N 3.29Å

Retrieved 213 of 213 residues in 40.8 ms (Link to these results)

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