A0A5K4FCE2_SCHMA Loading...

Lysosome-associated membrane glycoprotein 2

AlphaFold DB , UniProt , Accession A0A5K4FCE2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 251 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.4	Very low	39.8	Very low	231 Å²	231	146.3 Å²	146.3	100%	1.138	76%	0.761	S	S	*	*				0	87.6	0	-76	161.6	120.5	0	0	107.6	I3	M1-I3 PolarHBondContact O-N 2.99Å
2	N	34.6	Very low	40.6	Very low	174 Å²	174	142.1 Å²	142.1	93%	0.93	75%	0.746	S	S	*	*			trans	-81.1	99.9	175.8	-90.1	-1.8	0	0	0	107.9	G4	N2-G4 VanDerWaalsContact C-N 3.27Å; N2-G4 PolarHBondContact O-N 3.11Å
3	I	39.9	Very low	40.8	Very low	150 Å²	150	142 Å²	142	77%	0.769	74%	0.736	S	S	*	*			trans	-70	92.6	169.8	-58.5	171.3	0	0	0	105.5	M1 I5	M1-I3 PolarHBondContact O-N 2.99Å; I3-I5 VanDerWaalsContact C-N 3.29Å; I3-I5 HydrophobicContact CG2-CG1 4.17Å; I3-I5 PolarHBondContact O-N 3.29Å
4	G	33.2	Very low	41.2	Very low	68 Å²	68	137.9 Å²	137.9	70%	0.701	72%	0.72	S	S	*	*			trans	-66.8	92.2	170.1	0	0	0	0	0	108.2	N2 P6	N2-G4 VanDerWaalsContact C-N 3.27Å; N2-G4 PolarHBondContact O-N 3.11Å; G4-P6 VanDerWaalsContact O-CD 3.31Å; G4-P6 WeakPolarHBondContact O-CD 2.82Å
5	I	38.4	Very low	41.3	Very low	139 Å²	139	136.2 Å²	136.2	71%	0.713	71%	0.711	S	S	*	*			trans	-66.9	116.1	168.8	-59.9	174.7	0	0	0	105.8	I3 M7	I3-I5 VanDerWaalsContact C-N 3.29Å; I3-I5 HydrophobicContact CG2-CG1 4.17Å; I3-I5 PolarHBondContact O-N 3.29Å; I5-M7 PolarHBondContact O-N 2.92Å
6	P	41.5	Very low	41.5	Very low	87 Å²	87	130.9 Å²	130.9	57%	0.565	69%	0.694	S	S	*	*			trans	-64.2	116.2	-175.2	24.5	-31.6	0	0	0	108.9	G4 A8 W9	G4-P6 VanDerWaalsContact O-CD 3.31Å; G4-P6 WeakPolarHBondContact O-CD 2.82Å; P6-A8 PolarHBondContact O-N 3.24Å; P6-W9 PolarHBondContact O-N 3.14Å
7	M	46.6	Very low	41.7	Very low	172 Å²	172	129.1 Å²	129.1	85%	0.847	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-4.8	179.1	-142.3	178.3	-78.4	0	0	113.7	I5	I5-M7 PolarHBondContact O-N 2.92Å
8	A	44.1	Very low	41.7	Very low	64 Å²	64	128.3 Å²	128.3	53%	0.529	68%	0.684	S	S	.	*	H	α-helix	trans	-70.6	-30.7	175.5	0	0	0	0	0	113.5	P6	P6-A8 PolarHBondContact O-N 3.24Å
9	W	39	Very low	41.7	Very low	199 Å²	199	128.8 Å²	128.8	75%	0.754	69%	0.686	S	S	*	*	H	α-helix	trans	-75.6	-29.3	-176.3	-98	41.2	0	0	0	113.9	P6 R11 V12 F13	P6-W9 PolarHBondContact O-N 3.14Å; W9-R11 VanDerWaalsContact C-N 3.31Å; W9-R11 PolarHBondContact O-N 3.18Å; W9-V12 PolarHBondContact O-N 2.76Å; W9-F13 PolarHBondContact O-N 2.82Å
10	N	40.5	Very low	41.4	Very low	126 Å²	126	128.1 Å²	128.1	67%	0.674	69%	0.69	S	S	*	*	H	α-helix	trans	-73.3	-26.5	179.7	-142.1	19.5	0	0	0	112.2	V14	N10-V14 WeakPolarHBondContact O-CG2 2.71Å; N10-V14 PolarHBondContact O-N 3.19Å
11	R	41.5	Very low	41.2	Very low	199 Å²	199	127.2 Å²	127.2	75%	0.751	69%	0.693	S	S	*	*	H	α-helix	trans	-76.1	-34.1	175.8	-74	-171.4	166.7	-157.1	-3.6	112.9	W9 V14 L15	W9-R11 VanDerWaalsContact C-N 3.31Å; W9-R11 PolarHBondContact O-N 3.18Å; R11-V14 PolarHBondContact O-N 3.37Å; R11-L15 PolarHBondContact O-N 2.97Å
12	V	49.3	Very low	41.3	Very low	96 Å²	96	121.5 Å²	121.5	58%	0.582	67%	0.671	S	S	*	*	H	α-helix	trans	-68.7	-38.7	177.4	179.4	0	0	0	0	110.7	W9 L15 A16	W9-V12 PolarHBondContact O-N 2.76Å; V12-L15 PolarHBondContact O-N 3.42Å; V12-A16 VanDerWaalsContact O-CB 3.3Å; V12-A16 WeakPolarHBondContact O-CB 3.4Å; V12-A16 PolarHBondContact O-N 3.1Å
13	F	43.4	Very low	41.7	Very low	141 Å²	141	116.2 Å²	116.2	62%	0.618	65%	0.646	S	S	*	*	H	α-helix	trans	-66.2	-40.2	176.1	-113.8	-88.7	0	0	0	112.8	W9 A16 V17	W9-F13 PolarHBondContact O-N 2.82Å; F13-A16 PolarHBondContact O-N 3Å; F13-V17 HydrophobicContact CD1-CG2 4.47Å; F13-V17 WeakPolarHBondContact O-CB 3.1Å; F13-V17 VanDerWaalsContact O-CG2 3.28Å; F13-V17 WeakPolarHBondContact O-CG2 3.02Å; F13-V17 PolarHBondContact O-N 2.89Å
14	V	46.8	Very low	42	Very low	84 Å²	84	114.8 Å²	114.8	51%	0.509	64%	0.639	S	S	.	*	H	α-helix	trans	-67.9	-38.4	176.9	175.4	0	0	0	0	111.4	N10 R11 L18	N10-V14 WeakPolarHBondContact O-CG2 2.71Å; N10-V14 PolarHBondContact O-N 3.19Å; R11-V14 PolarHBondContact O-N 3.37Å; V14-L18 HydrophobicContact CG1-CD1 3.99Å; V14-L18 WeakPolarHBondContact O-CB 3.49Å; V14-L18 WeakPolarHBondContact O-CG 3.34Å; V14-L18 PolarHBondContact O-N 3.08Å; V14-L18 VanDerWaalsContact O-N 3.09Å
15	L	43	Very low	42.7	Very low	113 Å²	113	113.9 Å²	113.9	59%	0.592	62%	0.621	S	S	*	*	H	α-helix	trans	-67.9	-40.6	174.1	-108.8	91.7	0	0	0	112.5	R11 V12 L18 L19	R11-L15 PolarHBondContact O-N 2.97Å; V12-L15 PolarHBondContact O-N 3.42Å; L15-L18 PolarHBondContact O-N 2.77Å; L15-L19 PolarHBondContact O-N 2.88Å
16	A	44.9	Very low	42.9	Very low	52 Å²	52	112.3 Å²	112.3	43%	0.43	62%	0.617	S	S	.	*	H	α-helix	trans	-66.8	-38.1	180	0	0	0	0	0	112	V12 F13 L18 L19 C20	V12-A16 VanDerWaalsContact O-CB 3.3Å; V12-A16 WeakPolarHBondContact O-CB 3.4Å; V12-A16 PolarHBondContact O-N 3.1Å; F13-A16 PolarHBondContact O-N 3Å; A16-L18 VanDerWaalsContact C-N 3.35Å; A16-L19 PolarHBondContact O-N 2.82Å; A16-C20 PolarHBondContact O-N 3.01Å
17	V	44.7	Very low	43.6	Very low	100 Å²	100	108.6 Å²	108.6	61%	0.606	59%	0.593	S	S	*	*	H	α-helix	trans	-71.8	-30.9	176	175.9	0	0	0	0	111.6	F13	F13-V17 HydrophobicContact CD1-CG2 4.47Å; F13-V17 WeakPolarHBondContact O-CB 3.1Å; F13-V17 VanDerWaalsContact O-CG2 3.28Å; F13-V17 WeakPolarHBondContact O-CG2 3.02Å; F13-V17 PolarHBondContact O-N 2.89Å
18	L	40.9	Very low	44.4	Very low	114 Å²	114	104.1 Å²	104.1	60%	0.597	58%	0.579	S	S	*	*	H	α-helix	trans	-73.5	-27.6	173.4	-83	162.1	0	0	0	113.3	V14 L15 A16 V22	V14-L18 HydrophobicContact CG1-CD1 3.99Å; V14-L18 WeakPolarHBondContact O-CB 3.49Å; V14-L18 WeakPolarHBondContact O-CG 3.34Å; V14-L18 PolarHBondContact O-N 3.08Å; V14-L18 VanDerWaalsContact O-N 3.09Å; L15-L18 PolarHBondContact O-N 2.77Å; A16-L18 VanDerWaalsContact C-N 3.35Å; L18-V22 VanDerWaalsContact O-CG2 3.31Å; L18-V22 WeakPolarHBondContact O-CG2 3.44Å
19	L	41.1	Very low	46.3	Very low	139 Å²	139	106.8 Å²	106.8	73%	0.728	58%	0.584	S	S	*	*	H	α-helix	trans	-81.7	-24.9	177.1	-95.4	137.6	0	0	0	113.7	L15 A16 C21	L15-L19 PolarHBondContact O-N 2.88Å; A16-L19 PolarHBondContact O-N 2.82Å; L19-C21 PolarHBondContact O-N 3.18Å
20	C	36	Very low	48.6	Very low	114 Å²	114	97.3 Å²	97.3	77%	0.77	55%	0.549	S	S	*	.	S	Bend	trans	-83.9	-1	-174.2	-97.7	0	0	0	0	116.5	A16	A16-C20 PolarHBondContact O-N 3.01Å
21	C	38.8	Very low	51.1	Low	110 Å²	110	93.9 Å²	93.9	74%	0.743	53%	0.528	S	S	*	.	S	Bend	trans	-143.8	19.9	-174.5	-105.5	0	0	0	0	116.4	L19 C23	L19-C21 PolarHBondContact O-N 3.18Å; C21-C23 PolarHBondContact O-N 3.35Å
22	V	40.2	Very low	53.5	Low	111 Å²	111	84.5 Å²	84.5	67%	0.673	49%	0.492	S	S	*	.			trans	-94.9	67.2	175.3	-170.3	0	0	0	0	110	L18 L24	L18-V22 VanDerWaalsContact O-CG2 3.31Å; L18-V22 WeakPolarHBondContact O-CG2 3.44Å; V22-L24 VanDerWaalsContact C-N 3.34Å
23	C	43.2	Very low	55.6	Low	62 Å²	62	80.6 Å²	80.6	42%	0.419	47%	0.47	S	S	.	.			trans	-99.3	40	165.1	-74.4	0	0	0	0	111.2	C21 S77	C21-C23 PolarHBondContact O-N 3.35Å; C23-S77 WeakPolarHBondContact CB-O 3.38Å
24	L	45	Very low	57.8	Low	120 Å²	120	74 Å²	74	63%	0.628	44%	0.44	S	S	*	.			trans	-104	68.5	179.5	-76.2	162	0	0	0	110.4	V22 V26	V22-L24 VanDerWaalsContact C-N 3.34Å; L24-V26 VanDerWaalsContact C-N 3.31Å; L24-V26 PolarHBondContact O-N 3.19Å
25	T	47.7	Very low	59.9	Low	50 Å²	50	75 Å²	75	31%	0.307	44%	0.442	S	S	.	.			trans	-69.7	92.3	160.2	34.7	0	0	0	0	108.2	S27 S33	T25-S27 PolarHBondContact O-N 3.01Å; T25-S33 WeakPolarHBondContact CB-O 3.45Å; T25-S33 PolarHBondContact OG1-O 2.86Å
26	V	42.5	Very low	62.1	Low	105 Å²	105	72.1 Å²	72.1	64%	0.636	43%	0.427	S	S	*	.			trans	-76.9	95	173.7	-178.3	0	0	0	0	108.1	L24 T74	L24-V26 VanDerWaalsContact C-N 3.31Å; L24-V26 PolarHBondContact O-N 3.19Å; V26-T74 HydrophobicContact CG1-CG2 3.35Å
27	S	56.4	Low	64.2	Low	10 Å²	10	72.6 Å²	72.6	7%	0.07	42%	0.422	C	S	.	.			trans	-97.9	134.6	-179.2	177.9	0	0	0	0	111.6	T25 K31 K73 T74	T25-S27 PolarHBondContact O-N 3.01Å; S27-K31 WeakPolarHBondContact CB-O 3.42Å; S27-K31 WeakPolarHBondContact OG-CA 3.29Å; S27-K31 WeakPolarHBondContact OG-CB 2.78Å; S27-K31 WeakPolarHBondContact OG-CG 3.34Å; S27-K31 PolarHBondContact OG-O 3.03Å; S27-K73 VanDerWaalsContact O-O 3.08Å; S27-T74 VanDerWaalsContact O-CA 3.25Å; S27-T74 WeakPolarHBondContact O-CA 3.46Å
28	S	63.1	Low	66.3	Low	77 Å²	77	71.4 Å²	71.4	54%	0.538	42%	0.417	S	S	.	.			trans	-90.7	151.3	-172.8	67	0	0	0	0	114.2	G30 K31 K73	S28-G30 PolarHBondContact O-N 2.9Å; S28-K31 WeakPolarHBondContact O-CB 3.4Å; S28-K31 PolarHBondContact O-N 3.3Å; S28-K31 VanDerWaalsContact O-N 3.1Å; S28-K73 VanDerWaalsContact CA-O 3.24Å; S28-K73 WeakPolarHBondContact CA-O 3.28Å
29	N	83.6	Confident	68.6	Low	120 Å²	120	67.5 Å²	67.5	64%	0.642	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	54.9	167.9	-64.1	-25	0	0	0	114.8	K31 K73	N29-K31 PolarHBondContact O-N 2.84Å; N29-K73 PolarHBondContact N-O 2.77Å
30	G	88	Confident	71.1	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.01	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	-0.8	177.6	0	0	0	0	0	114	S28 Y45 W46 P72	S28-G30 PolarHBondContact O-N 2.9Å; G30-Y45 CarbonylContact O-C 3.44Å; G30-Y45 VanDerWaalsContact O-CA 3.24Å; G30-Y45 WeakPolarHBondContact O-CA 3.31Å; G30-W46 WeakPolarHBondContact CA-O 3.42Å; G30-W46 PolarHBondContact O-N 2.71Å; G30-P72 PolarHBondContact N-O 2.93Å
31	K	93.4	Very high	73.8	Confident	54 Å²	54	56.2 Å²	56.2	24%	0.235	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	146.8	170.1	-176.2	-177.8	177.2	177.4	0	109.4	S27 S28 N29 E43 W44 Y45	S27-K31 WeakPolarHBondContact CB-O 3.42Å; S27-K31 WeakPolarHBondContact OG-CA 3.29Å; S27-K31 WeakPolarHBondContact OG-CB 2.78Å; S27-K31 WeakPolarHBondContact OG-CG 3.34Å; S27-K31 PolarHBondContact OG-O 3.03Å; S28-K31 WeakPolarHBondContact O-CB 3.4Å; S28-K31 PolarHBondContact O-N 3.3Å; S28-K31 VanDerWaalsContact O-N 3.1Å; N29-K31 PolarHBondContact O-N 2.84Å; K31-E43 VanDerWaalsContact CE-OE1 3.25Å; K31-E43 WeakPolarHBondContact CE-OE1 3.22Å; K31-E43 IonicContact NZ-OE1 3.71Å; K31-E43 PolarHBondContact NZ-OE1 3.22Å; K31-E43 IonicContact NZ-OE2 3.04Å; K31-E43 PolarHBondContact NZ-OE2 2.74Å; K31-W44 CarbonylContact C-O 3.53Å; K31-W44 WeakPolarHBondContact CA-O 3.43Å; K31-Y45 HydrophobicContact CB-CD1 3.79Å; K31-Y45 HydrophobicContact CB-CE1 3.52Å; K31-Y45 HydrophobicContact CB-CG 4.46Å; K31-Y45 HydrophobicContact CG-CE1 4.14Å; K31-Y45 HydrophobicContact CG-CE2 4.4Å
32	V	92.2	Very high	76.4	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.5	169.6	-177.3	0	0	0	0	108.1	V34 E43 W44 W46 T75 L96	V32-V34 HydrophobicContact CG1-CG2 4Å; V32-E43 VanDerWaalsContact O-CA 3.29Å; V32-E43 WeakPolarHBondContact O-CA 3.43Å; V32-W44 HydrophobicContact CB-CD2 4.06Å; V32-W44 HydrophobicContact CB-CG 4.37Å; V32-W44 HydrophobicContact CB-CZ2 3.95Å; V32-W44 HydrophobicContact CG1-CD2 4.37Å; V32-W44 HydrophobicContact CG1-CH2 3.89Å; V32-W44 HydrophobicContact CG1-CZ2 3.46Å; V32-W44 VanDerWaalsContact CG1-CZ2 3.46Å; V32-W44 HydrophobicContact CG1-CZ3 4.49Å; V32-W44 HydrophobicContact CG2-CZ2 4.49Å; V32-W44 PolarHBondContact N-O 3.37Å; V32-W44 PolarHBondContact O-N 2.89Å; V32-W44 VanDerWaalsContact O-N 3.13Å; V32-W46 HydrophobicContact CG2-CG 4.38Å; V32-T75 HydrophobicContact CG1-CG2 4.4Å; V32-T75 HydrophobicContact CG2-CG2 3.91Å; V32-L96 HydrophobicContact CG1-CD1 4.39Å; V32-L96 HydrophobicContact CG1-CD2 3.96Å
33	S	91.9	Very high	78.9	Confident	15 Å²	15	50.1 Å²	50.1	11%	0.105	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	122.4	173	179.6	0	0	0	0	108.4	T25	T25-S33 WeakPolarHBondContact CB-O 3.45Å; T25-S33 PolarHBondContact OG1-O 2.86Å
34	V	90.9	Very high	81.4	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125.3	177.9	-178	0	0	0	0	108.1	V32 V40 S41 G42 W44 V79 I94 L96	V32-V34 HydrophobicContact CG1-CG2 4Å; V34-V40 HydrophobicContact CG1-CG1 3.92Å; V34-V40 HydrophobicContact CG1-CG2 4.34Å; V34-S41 CarbonylContact O-C 3.53Å; V34-S41 VanDerWaalsContact O-CA 3.29Å; V34-S41 WeakPolarHBondContact O-CA 3.34Å; V34-G42 PolarHBondContact N-O 2.88Å; V34-G42 PolarHBondContact O-N 2.81Å; V34-W44 HydrophobicContact CB-CH2 4.41Å; V34-W44 HydrophobicContact CG2-CH2 3.6Å; V34-W44 HydrophobicContact CG2-CZ2 4.44Å; V34-W44 HydrophobicContact CG2-CZ3 4.13Å; V34-V79 HydrophobicContact CG1-CG2 3.61Å; V34-I94 HydrophobicContact CG1-CG2 4.4Å; V34-I94 HydrophobicContact CG2-CG2 4.15Å; V34-L96 HydrophobicContact CG2-CD2 4.35Å
35	I	89.6	Confident	83.8	Confident	106 Å²	106	46.4 Å²	46.4	54%	0.544	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	107.1	174.7	-56.7	176.6	0	0	0	107.4	L37	I35-L37 HydrophobicContact CG2-CD1 4.49Å; I35-L37 HydrophobicContact CG2-CG 4.14Å
36	N	90.1	Very high	86	Confident	52 Å²	52	44.3 Å²	44.3	28%	0.278	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	88.8	171.1	-175.7	-11.6	0	0	0	108.7	H39 V40 V79	N36-H39 CarbonylContact O-C 3.35Å; N36-H39 WeakPolarHBondContact O-CA 3.39Å; N36-H39 WeakPolarHBondContact O-CB 3.47Å; N36-H39 PolarHBondContact O-N 2.93Å; N36-V40 CarbonylContact C-O 3.43Å; N36-V40 HydrophobicContact CB-CG1 4.03Å; N36-V40 PolarHBondContact N-O 2.63Å; N36-V40 PolarHBondContact O-N 2.73Å; N36-V40 VanDerWaalsContact O-O 3.1Å; N36-V79 HydrophobicContact CB-CB 4.17Å; N36-V79 HydrophobicContact CB-CG1 4.28Å; N36-V79 HydrophobicContact CB-CG2 4.11Å
37	L	88.3	Confident	88.5	Confident	62 Å²	62	41.5 Å²	41.5	33%	0.325	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	148.5	-173.3	-55.6	176.5	0	0	0	111.8	I35 H39 A195 E197	I35-L37 HydrophobicContact CG2-CD1 4.49Å; I35-L37 HydrophobicContact CG2-CG 4.14Å; L37-H39 VanDerWaalsContact C-N 3.27Å; L37-A195 HydrophobicContact CD2-CB 3.75Å; L37-E197 HydrophobicContact CD1-CB 3.51Å; L37-E197 HydrophobicContact CD1-CG 4.15Å
38	P	88.5	Confident	90.3	Very high	75 Å²	75	41 Å²	41	49%	0.487	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	cis	-84.8	11.6	-1.8	35.9	-36.2	0	0	0	113.4	F193 A195	P38-F193 CarbonylContact O-C 3.37Å; P38-A195 WeakPolarHBondContact O-CB 3.44Å; P38-A195 PolarHBondContact O-N 2.89Å
39	H	90.3	Very high	91.8	Very high	33 Å²	33	40.6 Å²	40.6	15%	0.153	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-45	-167.9	-52.9	-66.2	0	0	0	113.8	N36 L37 T81 E83 I92 A192 F193	N36-H39 CarbonylContact O-C 3.35Å; N36-H39 WeakPolarHBondContact O-CA 3.39Å; N36-H39 WeakPolarHBondContact O-CB 3.47Å; N36-H39 PolarHBondContact O-N 2.93Å; L37-H39 VanDerWaalsContact C-N 3.27Å; H39-T81 HydrophobicContact CB-CG2 4.04Å; H39-E83 IonicContact CE1-OE1 2.8Å; H39-E83 PolarHBondContact CE1-OE1 3.21Å; H39-E83 VanDerWaalsContact CE1-OE1 3.22Å; H39-E83 IonicContact NE2-OE1 3.9Å; H39-I92 HydrophobicContact CB-CD1 3.94Å; H39-I92 WeakPolarHBondContact O-CD1 3.2Å; H39-A192 CarbonylContact O-C 3.55Å; H39-A192 VanDerWaalsContact O-CA 3.22Å; H39-A192 WeakPolarHBondContact O-CA 3.37Å; H39-F193 PolarHBondContact O-N 2.87Å
40	V	92.6	Very high	92.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	140.5	-176.1	59.1	0	0	0	0	111.2	V34 N36 V79 I92 I94 F190 Q191	V34-V40 HydrophobicContact CG1-CG1 3.92Å; V34-V40 HydrophobicContact CG1-CG2 4.34Å; N36-V40 CarbonylContact C-O 3.43Å; N36-V40 HydrophobicContact CB-CG1 4.03Å; N36-V40 PolarHBondContact N-O 2.63Å; N36-V40 PolarHBondContact O-N 2.73Å; N36-V40 VanDerWaalsContact O-O 3.1Å; V40-V79 HydrophobicContact CG1-CG1 3.8Å; V40-V79 HydrophobicContact CG1-CG2 3.95Å; V40-I92 HydrophobicContact CB-CD1 4.48Å; V40-I92 HydrophobicContact CG1-CG2 4.41Å; V40-I94 HydrophobicContact CG2-CD1 3.95Å; V40-F190 HydrophobicContact CG2-CD2 4.31Å; V40-F190 HydrophobicContact CG2-CE1 4.33Å; V40-F190 HydrophobicContact CG2-CE2 3.29Å; V40-F190 HydrophobicContact CG2-CZ 3.29Å; V40-Q191 WeakPolarHBondContact CA-O 3.25Å
41	S	93.1	Very high	92.4	Very high	16 Å²	16	37 Å²	37	11%	0.112	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	133.9	168.7	-177.9	0	0	0	0	108.7	V34 Q191	V34-S41 CarbonylContact O-C 3.53Å; V34-S41 VanDerWaalsContact O-CA 3.29Å; V34-S41 WeakPolarHBondContact O-CA 3.34Å; S41-Q191 PolarHBondContact N-O 2.75Å; S41-Q191 PolarHBondContact O-N 3.37Å
42	G	92.9	Very high	92	Very high	6 Å²	6	35.9 Å²	35.9	6%	0.062	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.9	160.8	175	0	0	0	0	0	114.9	V34 T189	V34-G42 PolarHBondContact N-O 2.88Å; V34-G42 PolarHBondContact O-N 2.81Å; G42-T189 CarbonylContact C-O 3.52Å; G42-T189 WeakPolarHBondContact CA-O 3.21Å
43	E	94.1	Very high	91.4	Very high	87 Å²	87	36.2 Å²	36.2	41%	0.407	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	142.6	174.9	-62	-161.1	133.1	0	0	109.8	K31 V32 M188 T189	K31-E43 VanDerWaalsContact CE-OE1 3.25Å; K31-E43 WeakPolarHBondContact CE-OE1 3.22Å; K31-E43 IonicContact NZ-OE1 3.71Å; K31-E43 PolarHBondContact NZ-OE1 3.22Å; K31-E43 IonicContact NZ-OE2 3.04Å; K31-E43 PolarHBondContact NZ-OE2 2.74Å; V32-E43 VanDerWaalsContact O-CA 3.29Å; V32-E43 WeakPolarHBondContact O-CA 3.43Å; E43-M188 CarbonylContact O-C 3.6Å; E43-M188 WeakPolarHBondContact O-CA 3.25Å; E43-T189 PolarHBondContact N-O 3.23Å; E43-T189 PolarHBondContact O-N 3.5Å
44	W	94.7	Very high	90.4	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	171.7	173	59.4	93	0	0	0	110.5	K31 V32 V34 L96 L112 W123 F185 M188 F190	K31-W44 CarbonylContact C-O 3.53Å; K31-W44 WeakPolarHBondContact CA-O 3.43Å; V32-W44 HydrophobicContact CB-CD2 4.06Å; V32-W44 HydrophobicContact CB-CG 4.37Å; V32-W44 HydrophobicContact CB-CZ2 3.95Å; V32-W44 HydrophobicContact CG1-CD2 4.37Å; V32-W44 HydrophobicContact CG1-CH2 3.89Å; V32-W44 HydrophobicContact CG1-CZ2 3.46Å; V32-W44 VanDerWaalsContact CG1-CZ2 3.46Å; V32-W44 HydrophobicContact CG1-CZ3 4.49Å; V32-W44 HydrophobicContact CG2-CZ2 4.49Å; V32-W44 PolarHBondContact N-O 3.37Å; V32-W44 PolarHBondContact O-N 2.89Å; V32-W44 VanDerWaalsContact O-N 3.13Å; V34-W44 HydrophobicContact CB-CH2 4.41Å; V34-W44 HydrophobicContact CG2-CH2 3.6Å; V34-W44 HydrophobicContact CG2-CZ2 4.44Å; V34-W44 HydrophobicContact CG2-CZ3 4.13Å; W44-L96 HydrophobicContact CZ2-CD1 3.96Å; W44-L112 HydrophobicContact CH2-CD1 4.39Å; W44-L112 HydrophobicContact CZ2-CD1 3.87Å; W44-W123 HydrophobicContact CD2-CH2 4.14Å; W44-W123 AromaticContact CE2-CH2 3.94Å; W44-W123 HydrophobicContact CE3-CH2 4.28Å; W44-W123 HydrophobicContact CH2-CH2 4.06Å; W44-W123 HydrophobicContact CH2-CZ2 4.31Å; W44-W123 AromaticContact CZ2-CH2 3.89Å; W44-W123 HydrophobicContact CZ2-CH2 3.89Å; W44-W123 HydrophobicContact CZ3-CH2 4.26Å; W44-W123 HydrophobicContact CZ3-CZ2 4.28Å; W44-F185 AromaticContact CD1-CD1 3.66Å; W44-F185 AromaticContact NE1-CD1 3.84Å; W44-F185 AromaticContact NE1-CE1 3.82Å; W44-M188 HydrophobicContact CB-CB 4.14Å; W44-M188 HydrophobicContact CB-CG 3.71Å; W44-F190 HydrophobicContact CE3-CD2 4.4Å; W44-F190 HydrophobicContact CH2-CE2 4.49Å; W44-F190 AromaticContact CZ3-CD2 3.82Å; W44-F190 HydrophobicContact CZ3-CD2 3.82Å; W44-F190 HydrophobicContact CZ3-CE2 4.1Å
45	Y	94.9	Very high	89.2	Confident	103 Å²	103	39.9 Å²	39.9	40%	0.404	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	151.1	166.3	-66.7	-101.5	0	0	0	110.2	G30 K31 F185 S186	G30-Y45 CarbonylContact O-C 3.44Å; G30-Y45 VanDerWaalsContact O-CA 3.24Å; G30-Y45 WeakPolarHBondContact O-CA 3.31Å; K31-Y45 HydrophobicContact CB-CD1 3.79Å; K31-Y45 HydrophobicContact CB-CE1 3.52Å; K31-Y45 HydrophobicContact CB-CG 4.46Å; K31-Y45 HydrophobicContact CG-CE1 4.14Å; K31-Y45 HydrophobicContact CG-CE2 4.4Å; Y45-F185 CarbonylContact O-C 3.57Å; Y45-F185 WeakPolarHBondContact O-CA 3.29Å; Y45-S186 WeakPolarHBondContact CB-OG 3.42Å; Y45-S186 PolarHBondContact N-O 2.78Å; Y45-S186 PolarHBondContact O-N 3.03Å
46	W	94.3	Very high	87.9	Confident	5 Å²	5	41.5 Å²	41.5	2%	0.019	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	158	171.9	73.4	-55.4	0	0	0	114	G30 V32 L48 P72 T75 L96 M98 L110 I183 L184 F185	G30-W46 WeakPolarHBondContact CA-O 3.42Å; G30-W46 PolarHBondContact O-N 2.71Å; V32-W46 HydrophobicContact CG2-CG 4.38Å; W46-L48 HydrophobicContact CE3-CG 4.28Å; W46-L48 HydrophobicContact CZ3-CD1 4.1Å; W46-L48 HydrophobicContact CZ3-CG 4.14Å; W46-P72 HydrophobicContact CD2-CG 4.43Å; W46-P72 HydrophobicContact CZ2-CG 4.15Å; W46-T75 HydrophobicContact CZ2-CG2 4.15Å; W46-T75 PolarHBondContact NE1-OG1 3.23Å; W46-L96 HydrophobicContact CZ2-CB 4.45Å; W46-L96 HydrophobicContact CZ2-CD1 4.26Å; W46-M98 HydrophobicContact CH2-CE 3.15Å; W46-M98 HydrophobicContact CH2-CG 3.97Å; W46-M98 HydrophobicContact CH2-SD 3.33Å; W46-M98 WeakPolarHBondContact CH2-SD 3.41Å; W46-M98 HydrophobicContact CZ2-CE 3.68Å; W46-M98 HydrophobicContact CZ2-CG 3.44Å; W46-M98 VanDerWaalsContact CZ2-CG 3.44Å; W46-M98 HydrophobicContact CZ2-SD 3.27Å; W46-M98 WeakPolarHBondContact CZ2-SD 3.38Å; W46-M98 HydrophobicContact CZ3-CE 4.02Å; W46-L110 HydrophobicContact CE3-CD2 4.36Å; W46-L110 HydrophobicContact CH2-CB 3.6Å; W46-L110 HydrophobicContact CH2-CD2 3.92Å; W46-L110 HydrophobicContact CH2-CG 4.4Å; W46-L110 HydrophobicContact CZ3-CB 4.01Å; W46-L110 HydrophobicContact CZ3-CD2 3.75Å; W46-L110 HydrophobicContact CZ3-CG 4.44Å; W46-I183 HydrophobicContact CB-CG1 4.47Å; W46-I183 HydrophobicContact CD2-CD1 4.15Å; W46-I183 HydrophobicContact CE3-CD1 3.12Å; W46-I183 HydrophobicContact CE3-CG1 3.67Å; W46-I183 HydrophobicContact CZ3-CD1 3.38Å; W46-I183 HydrophobicContact CZ3-CG1 4.29Å; W46-L184 CarbonylContact C-O 3.57Å; W46-L184 WeakPolarHBondContact CA-O 3.02Å; W46-L184 WeakPolarHBondContact CB-O 3.37Å; W46-F185 HydrophobicContact CB-CD1 3.97Å; W46-F185 HydrophobicContact CB-CE1 4.24Å
47	K	94.7	Very high	86.2	Confident	47 Å²	47	41.7 Å²	41.7	20%	0.204	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	154.2	169.3	63.7	-169.8	178.7	-150.6	0	110.2	T69 F70 I71 E172 I183 L184	K47-T69 HydrophobicContact CB-CG2 4.4Å; K47-T69 HydrophobicContact CD-CG2 4.2Å; K47-F70 WeakPolarHBondContact CA-O 3.45Å; K47-I71 HydrophobicContact CB-CG1 3.87Å; K47-E172 WeakPolarHBondContact CE-OE2 3.21Å; K47-E172 IonicContact NZ-OE1 3.88Å; K47-E172 IonicContact NZ-OE2 3.89Å; K47-E172 PolarHBondContact NZ-OE2 2.91Å; K47-I183 WeakPolarHBondContact O-CA 3.44Å; K47-L184 HydrophobicContact CD-CD1 4.18Å; K47-L184 HydrophobicContact CG-CB 3.89Å; K47-L184 HydrophobicContact CG-CD1 3.95Å; K47-L184 HydrophobicContact CG-CG 4.48Å; K47-L184 PolarHBondContact N-O 3.07Å; K47-L184 VanDerWaalsContact N-O 3.09Å; K47-L184 PolarHBondContact O-N 2.76Å
48	L	95.9	Very high	84.7	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.7	174.8	-75.4	166.7	0	0	0	110	W46 F50 T69 F70 C108 L128 I181 E182 I183	W46-L48 HydrophobicContact CE3-CG 4.28Å; W46-L48 HydrophobicContact CZ3-CD1 4.1Å; W46-L48 HydrophobicContact CZ3-CG 4.14Å; L48-F50 HydrophobicContact CB-CD2 4.49Å; L48-F50 HydrophobicContact CB-CE2 3.79Å; L48-F50 HydrophobicContact CB-CZ 4.34Å; L48-F50 HydrophobicContact CD1-CE2 4.43Å; L48-F50 HydrophobicContact CD1-CZ 4.29Å; L48-T69 CarbonylContact O-C 3.54Å; L48-T69 VanDerWaalsContact O-CA 3.31Å; L48-T69 WeakPolarHBondContact O-CA 3.49Å; L48-F70 HydrophobicContact CB-CB 4.35Å; L48-F70 HydrophobicContact CB-CD1 4.47Å; L48-F70 HydrophobicContact CD1-CD1 4.14Å; L48-F70 PolarHBondContact N-O 2.98Å; L48-F70 PolarHBondContact O-N 3.27Å; L48-C108 WeakPolarHBondContact CD1-SG 3.32Å; L48-L128 HydrophobicContact CD1-CD1 3.76Å; L48-L128 HydrophobicContact CD1-CD2 4.35Å; L48-L128 HydrophobicContact CD2-CD1 4.27Å; L48-L128 HydrophobicContact CD2-CD2 3.97Å; L48-I181 HydrophobicContact CD2-CG2 4.46Å; L48-E182 WeakPolarHBondContact CA-O 3.3Å; L48-I183 HydrophobicContact CD2-CB 3.82Å; L48-I183 HydrophobicContact CD2-CD1 4.37Å; L48-I183 HydrophobicContact CD2-CG1 4.13Å
49	R	94.5	Very high	83.1	Confident	68 Å²	68	50.8 Å²	50.8	26%	0.257	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.3	168.6	-72.1	-178	179.4	152.1	0.4	109.7	F51 Y68 T69 I181 E182 L184	R49-F51 HydrophobicContact CB-CE2 4.15Å; R49-F51 HydrophobicContact CB-CZ 4.14Å; R49-Y68 WeakPolarHBondContact CA-O 3.36Å; R49-T69 HydrophobicContact CG-CG2 4.35Å; R49-I181 WeakPolarHBondContact O-CA 3.37Å; R49-E182 HydrophobicContact CB-CG 3.88Å; R49-E182 WeakPolarHBondContact CD-OE1 3.33Å; R49-E182 PolarHBondContact N-O 2.84Å; R49-E182 IonicContact NH1-OE1 3.69Å; R49-E182 PolarHBondContact NH1-OE1 3.13Å; R49-E182 VanDerWaalsContact NH1-OE1 3.1Å; R49-E182 PolarHBondContact O-N 2.89Å; R49-L184 HydrophobicContact CG-CD1 4.12Å
50	F	92.9	Very high	81.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	118.3	173.9	-59.9	-96.9	0	0	0	108.1	L48 N67 Y68 F70 L105 Y130 F132 L136 L144 N180 I181	L48-F50 HydrophobicContact CB-CD2 4.49Å; L48-F50 HydrophobicContact CB-CE2 3.79Å; L48-F50 HydrophobicContact CB-CZ 4.34Å; L48-F50 HydrophobicContact CD1-CE2 4.43Å; L48-F50 HydrophobicContact CD1-CZ 4.29Å; F50-N67 CarbonylContact O-C 3.55Å; F50-N67 WeakPolarHBondContact O-CA 3.29Å; F50-Y68 AromaticContact CD2-CD1 3.88Å; F50-Y68 HydrophobicContact CD2-CD1 3.88Å; F50-Y68 HydrophobicContact CE2-CD1 4.49Å; F50-Y68 PolarHBondContact N-O 2.94Å; F50-Y68 PolarHBondContact O-N 2.98Å; F50-F70 HydrophobicContact CE2-CB 4.34Å; F50-L105 HydrophobicContact CE2-CD1 4.14Å; F50-L105 HydrophobicContact CZ-CD1 4.23Å; F50-L105 HydrophobicContact CZ-CD2 4.27Å; F50-Y130 HydrophobicContact CE1-CD1 4.36Å; F50-Y130 AromaticContact CE1-CD2 3.84Å; F50-Y130 HydrophobicContact CE1-CD2 3.84Å; F50-Y130 HydrophobicContact CE1-CE1 4.49Å; F50-Y130 HydrophobicContact CE1-CE2 4Å; F50-Y130 HydrophobicContact CE1-CG 4.05Å; F50-Y130 HydrophobicContact CZ-CD2 4.42Å; F50-Y130 HydrophobicContact CZ-CG 4.41Å; F50-F132 HydrophobicContact CB-CZ 4.35Å; F50-F132 AromaticContact CD1-CE2 3.87Å; F50-F132 HydrophobicContact CD1-CE2 3.87Å; F50-F132 AromaticContact CD1-CZ 3.7Å; F50-F132 HydrophobicContact CD1-CZ 3.7Å; F50-F132 AromaticContact CD2-CZ 4Å; F50-F132 HydrophobicContact CD2-CZ 4Å; F50-F132 AromaticContact CE1-CE2 3.93Å; F50-F132 HydrophobicContact CE1-CE2 3.93Å; F50-F132 AromaticContact CE1-CZ 3.89Å; F50-F132 HydrophobicContact CE1-CZ 3.89Å; F50-F132 HydrophobicContact CE2-CZ 4.18Å; F50-F132 HydrophobicContact CG-CE2 4.38Å; F50-F132 AromaticContact CG-CZ 3.76Å; F50-F132 HydrophobicContact CG-CZ 3.76Å; F50-F132 HydrophobicContact CZ-CE2 4.49Å; F50-F132 HydrophobicContact CZ-CZ 4.13Å; F50-L136 HydrophobicContact CB-CD1 4.01Å; F50-L144 HydrophobicContact CB-CD1 4.01Å; F50-L144 HydrophobicContact CD1-CD1 4.34Å; F50-L144 HydrophobicContact CD1-CD2 4.24Å; F50-N180 CarbonylContact C-O 3.58Å; F50-N180 WeakPolarHBondContact CA-O 3.15Å; F50-I181 HydrophobicContact CD1-CD1 3.87Å; F50-I181 HydrophobicContact CD1-CG1 3.77Å; F50-I181 HydrophobicContact CD1-CG2 4.33Å; F50-I181 HydrophobicContact CE1-CD1 3.87Å; F50-I181 HydrophobicContact CE1-CG1 4.17Å; F50-I181 HydrophobicContact CE1-CG2 4.21Å
51	F	90	Very high	79.5	Confident	46 Å²	46	58.6 Å²	58.6	20%	0.202	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	136.4	176.6	-57.4	-83.1	0	0	0	109.9	R49 L66 N67 N180 E182	R49-F51 HydrophobicContact CB-CE2 4.15Å; R49-F51 HydrophobicContact CB-CZ 4.14Å; F51-L66 WeakPolarHBondContact CA-O 3.19Å; F51-N67 HydrophobicContact CD1-CB 3.75Å; F51-N67 HydrophobicContact CE1-CB 3.91Å; F51-N180 PolarHBondContact N-O 2.87Å; F51-E182 HydrophobicContact CE2-CG 3.82Å; F51-E182 HydrophobicContact CZ-CG 4.29Å
52	Y	85.8	Confident	77.8	Confident	29 Å²	29	62.8 Å²	62.8	11%	0.114	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	152	-178.6	62.4	-83.9	0	0	0	110.4	L65 L66 L136	Y52-L65 CarbonylContact O-C 3.48Å; Y52-L66 HydrophobicContact CD1-CB 4.44Å; Y52-L66 HydrophobicContact CD2-CB 4.16Å; Y52-L66 HydrophobicContact CE1-CB 3.94Å; Y52-L66 HydrophobicContact CE2-CB 3.67Å; Y52-L66 HydrophobicContact CE2-CD1 3.75Å; Y52-L66 HydrophobicContact CE2-CG 4.28Å; Y52-L66 PolarHBondContact N-O 2.77Å; Y52-L66 PolarHBondContact O-N 2.81Å; Y52-L136 HydrophobicContact CD1-CB 4.18Å; Y52-L136 HydrophobicContact CD1-CD1 3.86Å; Y52-L136 HydrophobicContact CD2-CB 4.37Å; Y52-L136 HydrophobicContact CE1-CB 4.23Å; Y52-L136 HydrophobicContact CE1-CD1 4.01Å; Y52-L136 HydrophobicContact CE2-CB 4.38Å; Y52-L136 WeakPolarHBondContact CE2-O 3.41Å; Y52-L136 HydrophobicContact CG-CB 4.26Å
53	P	79.3	Confident	76.3	Confident	8 Å²	8	63.4 Å²	63.4	5%	0.052	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	138.1	-175.7	29.3	-38.4	0	0	0	111.8	S55 E143	P53-S55 VanDerWaalsContact C-N 3.31Å; P53-E143 WeakPolarHBondContact CD-OE1 3.34Å; P53-E143 WeakPolarHBondContact CD-OE2 3.49Å; P53-E143 VanDerWaalsContact CG-OE1 3.29Å; P53-E143 WeakPolarHBondContact CG-OE1 3.42Å
54	A	71.9	Confident	75.3	Confident	36 Å²	36	66.7 Å²	66.7	30%	0.298	36%	0.36	S	S	.	.	S	Bend	trans	-70.9	-25.5	172.7	0	0	0	0	0	113.2	E64 L66 L139	A54-E64 HydrophobicContact CB-CB 4.3Å; A54-E64 WeakPolarHBondContact CB-O 3.28Å; A54-E64 PolarHBondContact N-O 2.85Å; A54-L66 HydrophobicContact CB-CD1 3.93Å; A54-L66 HydrophobicContact CB-CD2 4.16Å; A54-L66 HydrophobicContact CB-CG 3.72Å; A54-L139 WeakPolarHBondContact O-CD1 3.49Å
55	S	65.6	Low	74.6	Confident	57 Å²	57	70.7 Å²	70.7	40%	0.399	38%	0.381	S	S	.	.	S	Bend	trans	-147.2	150.9	-173.7	56.6	0	0	0	0	111.3	P53 S57 L139	P53-S55 VanDerWaalsContact C-N 3.31Å; S55-S57 PolarHBondContact O-N 3.18Å; S55-L139 VanDerWaalsContact CA-CD1 3.44Å
56	K	61.2	Low	74.2	Confident	140 Å²	140	69 Å²	69	61%	0.609	38%	0.379	S	S	*	.			trans	-64	119	164.4	-77.6	-174.3	179.3	179.2	0	107.4	M58 L139	K56-M58 PolarHBondContact O-N 3.18Å; K56-M58 VanDerWaalsContact O-N 3.11Å; K56-L139 WeakPolarHBondContact CE-O 3.15Å; K56-L139 HydrophobicContact CG-CB 4.09Å; K56-L139 HydrophobicContact CG-CD2 4.13Å; K56-L139 WeakPolarHBondContact CG-O 3.27Å
57	S	55.8	Low	74	Confident	57 Å²	57	72.9 Å²	72.9	40%	0.399	40%	0.4	S	S	.	.			trans	-63.6	112.6	170.1	64.8	0	0	0	0	109.2	S55 D59 N61	S55-S57 PolarHBondContact O-N 3.18Å; S57-D59 VanDerWaalsContact C-N 3.29Å; S57-N61 WeakPolarHBondContact CB-O 3.48Å
58	M	55	Low	73.8	Confident	174 Å²	174	72.4 Å²	72.4	86%	0.857	40%	0.397	S	S	*	.	S	Bend	trans	-72.2	-29.2	169.1	-70.7	-67	-172.2	0	0	111.1	K56	K56-M58 PolarHBondContact O-N 3.18Å; K56-M58 VanDerWaalsContact O-N 3.11Å
59	D	55.7	Low	73.8	Confident	154 Å²	154	75 Å²	75	82%	0.824	41%	0.412	S	S	*	.	S	Bend	trans	-107.8	17.8	-171.9	-63.9	-25.1	0	0	0	114	S57 N61	S57-D59 VanDerWaalsContact C-N 3.29Å; D59-N61 PolarHBondContact O-N 3.24Å
60	G	52.7	Low	73.8	Confident	62 Å²	62	72 Å²	72	64%	0.639	40%	0.401	S	S	*	.	S	Bend	trans	70.8	-9.1	-178.3	0	0	0	0	0	115.4	V62	G60-V62 PolarHBondContact O-N 3.41Å
61	N	55.3	Low	73.8	Confident	134 Å²	134	76.3 Å²	76.3	72%	0.717	42%	0.423	S	S	*	.	S	Bend	trans	-72.9	111.3	166.1	-98.6	-9.9	0	0	0	109.2	S57 D59 G63	S57-N61 WeakPolarHBondContact CB-O 3.48Å; D59-N61 PolarHBondContact O-N 3.24Å; N61-G63 PolarHBondContact O-N 2.67Å
62	V	56.3	Low	73.8	Confident	105 Å²	105	74.1 Å²	74.1	64%	0.636	41%	0.414	S	S	*	.			trans	-46.6	113.2	168.2	-174.2	0	0	0	0	106.9	G60 L65	G60-V62 PolarHBondContact O-N 3.41Å; V62-L65 HydrophobicContact CG1-CD2 3.95Å; V62-L65 HydrophobicContact CG1-CG 4.37Å
63	G	61.7	Low	74	Confident	19 Å²	19	78 Å²	78	20%	0.196	43%	0.431	C	S	.	.			trans	-60.4	-180	-178	0	0	0	0	0	111.2	N61 L65	N61-G63 PolarHBondContact O-N 2.67Å; G63-L65 PolarHBondContact O-N 2.88Å; G63-L65 VanDerWaalsContact O-N 3.14Å
64	E	73.6	Confident	74.5	Confident	155 Å²	155	79.9 Å²	79.9	72%	0.724	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-46.4	124.6	172.8	-172.7	177.5	-179.4	0	0	110.6	A54	A54-E64 HydrophobicContact CB-CB 4.3Å; A54-E64 WeakPolarHBondContact CB-O 3.28Å; A54-E64 PolarHBondContact N-O 2.85Å
65	L	80.5	Confident	75.6	Confident	85 Å²	85	78.3 Å²	78.3	45%	0.445	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	123.1	177.2	-72.9	173.6	0	0	0	109	Y52 V62 G63	Y52-L65 CarbonylContact O-C 3.48Å; V62-L65 HydrophobicContact CG1-CD2 3.95Å; V62-L65 HydrophobicContact CG1-CG 4.37Å; G63-L65 PolarHBondContact O-N 2.88Å; G63-L65 VanDerWaalsContact O-N 3.14Å
66	L	86.5	Confident	76.8	Confident	69 Å²	69	77 Å²	77	36%	0.361	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	161.6	164.4	-59.7	178.7	0	0	0	109.3	F51 Y52 A54	F51-L66 WeakPolarHBondContact CA-O 3.19Å; Y52-L66 HydrophobicContact CD1-CB 4.44Å; Y52-L66 HydrophobicContact CD2-CB 4.16Å; Y52-L66 HydrophobicContact CE1-CB 3.94Å; Y52-L66 HydrophobicContact CE2-CB 3.67Å; Y52-L66 HydrophobicContact CE2-CD1 3.75Å; Y52-L66 HydrophobicContact CE2-CG 4.28Å; Y52-L66 PolarHBondContact N-O 2.77Å; Y52-L66 PolarHBondContact O-N 2.81Å; A54-L66 HydrophobicContact CB-CD1 3.93Å; A54-L66 HydrophobicContact CB-CD2 4.16Å; A54-L66 HydrophobicContact CB-CG 3.72Å
67	N	89.3	Confident	78.2	Confident	86 Å²	86	70.6 Å²	70.6	46%	0.46	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147	169.3	68.7	67.1	0	0	0	111.7	F50 F51	F50-N67 CarbonylContact O-C 3.55Å; F50-N67 WeakPolarHBondContact O-CA 3.29Å; F51-N67 HydrophobicContact CD1-CB 3.75Å; F51-N67 HydrophobicContact CE1-CB 3.91Å
68	Y	91.6	Very high	79.8	Confident	37 Å²	37	70.7 Å²	70.7	15%	0.145	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.2	166.8	172.7	-114.3	0	0	0	107.8	R49 F50 F70 S103 K104 L105 F132 L136	R49-Y68 WeakPolarHBondContact CA-O 3.36Å; F50-Y68 AromaticContact CD2-CD1 3.88Å; F50-Y68 HydrophobicContact CD2-CD1 3.88Å; F50-Y68 HydrophobicContact CE2-CD1 4.49Å; F50-Y68 PolarHBondContact N-O 2.94Å; F50-Y68 PolarHBondContact O-N 2.98Å; Y68-F70 HydrophobicContact CE1-CB 3.98Å; Y68-S103 WeakPolarHBondContact OH-CB 3.46Å; Y68-K104 HydrophobicContact CD2-CD 4.18Å; Y68-K104 HydrophobicContact CE1-CB 4.08Å; Y68-K104 HydrophobicContact CE2-CB 4.23Å; Y68-K104 HydrophobicContact CE2-CD 4.06Å; Y68-K104 HydrophobicContact CE2-CG 3.97Å; Y68-K104 PolarHBondContact OH-N 3.4Å; Y68-L105 HydrophobicContact CE1-CG 4.44Å; Y68-F132 AromaticContact CD1-CE1 3.82Å; Y68-F132 HydrophobicContact CD1-CE1 3.82Å; Y68-F132 HydrophobicContact CD1-CZ 4.24Å; Y68-F132 AromaticContact CE1-CE1 3.94Å; Y68-F132 HydrophobicContact CE1-CE1 3.94Å; Y68-L136 HydrophobicContact CD1-CD1 4.17Å; Y68-L136 HydrophobicContact CD1-CD2 4.1Å; Y68-L136 HydrophobicContact CG-CD1 4.23Å; Y68-L136 HydrophobicContact CG-CD2 3.96Å
69	T	94.1	Very high	81.4	Confident	53 Å²	53	63.6 Å²	63.6	33%	0.325	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.4	175.9	-59.5	0	0	0	0	109.6	K47 L48 R49 I71	K47-T69 HydrophobicContact CB-CG2 4.4Å; K47-T69 HydrophobicContact CD-CG2 4.2Å; L48-T69 CarbonylContact O-C 3.54Å; L48-T69 VanDerWaalsContact O-CA 3.31Å; L48-T69 WeakPolarHBondContact O-CA 3.49Å; R49-T69 HydrophobicContact CG-CG2 4.35Å; T69-I71 HydrophobicContact CG2-CG1 4.14Å
70	F	94.5	Very high	83	Confident	7 Å²	7	62.3 Å²	62.3	3%	0.031	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.9	172.6	172.9	-111.6	0	0	0	109.9	K47 L48 F50 Y68 P72 M98 S99 T100 L105 C108	K47-F70 WeakPolarHBondContact CA-O 3.45Å; L48-F70 HydrophobicContact CB-CB 4.35Å; L48-F70 HydrophobicContact CB-CD1 4.47Å; L48-F70 HydrophobicContact CD1-CD1 4.14Å; L48-F70 PolarHBondContact N-O 2.98Å; L48-F70 PolarHBondContact O-N 3.27Å; F50-F70 HydrophobicContact CE2-CB 4.34Å; Y68-F70 HydrophobicContact CE1-CB 3.98Å; F70-P72 HydrophobicContact CD1-CG 4.24Å; F70-P72 HydrophobicContact CE1-CB 4.28Å; F70-P72 HydrophobicContact CE1-CG 3.68Å; F70-P72 HydrophobicContact CZ-CB 4.31Å; F70-P72 HydrophobicContact CZ-CG 4.19Å; F70-M98 HydrophobicContact CE1-CB 4.3Å; F70-M98 HydrophobicContact CZ-CB 4.35Å; F70-S99 WeakPolarHBondContact CZ-O 3.46Å; F70-T100 HydrophobicContact CZ-CG2 4.31Å; F70-L105 HydrophobicContact CB-CD1 4Å; F70-L105 HydrophobicContact CD1-CD1 3.58Å; F70-L105 HydrophobicContact CD2-CD1 3.9Å; F70-L105 HydrophobicContact CE1-CD1 3.92Å; F70-L105 HydrophobicContact CE2-CD1 4.24Å; F70-L105 HydrophobicContact CG-CD1 3.55Å; F70-L105 HydrophobicContact CZ-CD1 4.24Å; F70-C108 HydrophobicContact CE1-CB 4.11Å
71	I	93.9	Very high	84.4	Confident	90 Å²	90	61.7 Å²	61.7	46%	0.462	32%	0.324	S	S	.	.			trans	-113.8	113.6	172.2	-53.8	179.7	0	0	0	106.6	K47 T69 K73	K47-I71 HydrophobicContact CB-CG1 3.87Å; T69-I71 HydrophobicContact CG2-CG1 4.14Å; I71-K73 PolarHBondContact O-N 2.89Å
72	P	90.6	Very high	85.1	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.315	C	S	.	.			trans	-57.3	131.6	178.4	-25.1	33.5	0	0	0	111.4	G30 W46 F70 M98	G30-P72 PolarHBondContact N-O 2.93Å; W46-P72 HydrophobicContact CD2-CG 4.43Å; W46-P72 HydrophobicContact CZ2-CG 4.15Å; F70-P72 HydrophobicContact CD1-CG 4.24Å; F70-P72 HydrophobicContact CE1-CB 4.28Å; F70-P72 HydrophobicContact CE1-CG 3.68Å; F70-P72 HydrophobicContact CZ-CB 4.31Å; F70-P72 HydrophobicContact CZ-CG 4.19Å; P72-M98 HydrophobicContact CB-CB 4Å; P72-M98 HydrophobicContact CB-CG 3.83Å; P72-M98 HydrophobicContact CG-CB 4.23Å; P72-M98 HydrophobicContact CG-CG 3.73Å
73	K	88.9	Confident	85.2	Confident	111 Å²	111	60.9 Å²	60.9	48%	0.483	31%	0.312	S	S	.	.	S	Bend	trans	-70.8	-40.4	169.9	-76.8	179.5	-179.2	160.8	0	111	S27 S28 N29 I71 E101	S27-K73 VanDerWaalsContact O-O 3.08Å; S28-K73 VanDerWaalsContact CA-O 3.24Å; S28-K73 WeakPolarHBondContact CA-O 3.28Å; N29-K73 PolarHBondContact N-O 2.77Å; I71-K73 PolarHBondContact O-N 2.89Å; K73-E101 PolarHBondContact NZ-O 2.95Å
74	T	90.9	Very high	84.5	Confident	47 Å²	47	64.3 Å²	64.3	29%	0.288	33%	0.329	S	S	.	.			trans	-137.7	143.5	176.8	68.4	0	0	0	0	110.1	V26 S27 M98 S99	V26-T74 HydrophobicContact CG1-CG2 3.35Å; S27-T74 VanDerWaalsContact O-CA 3.25Å; S27-T74 WeakPolarHBondContact O-CA 3.46Å; T74-M98 WeakPolarHBondContact O-CA 3.4Å; T74-S99 PolarHBondContact N-OG 3.33Å; T74-S99 PolarHBondContact O-N 2.77Å; T74-S99 PolarHBondContact O-OG 2.89Å; T74-S99 WeakPolarHBondContact OG1-CB 3.45Å; T74-S99 PolarHBondContact OG1-OG 2.96Å
75	T	93.2	Very high	83.2	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.012	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	118.4	173.6	-53.7	0	0	0	0	108.2	V32 W46 L96 V97 M98	V32-T75 HydrophobicContact CG1-CG2 4.4Å; V32-T75 HydrophobicContact CG2-CG2 3.91Å; W46-T75 HydrophobicContact CZ2-CG2 4.15Å; W46-T75 PolarHBondContact NE1-OG1 3.23Å; T75-L96 HydrophobicContact CG2-CB 3.84Å; T75-L96 HydrophobicContact CG2-CD2 4.3Å; T75-L96 HydrophobicContact CG2-CG 4.46Å; T75-V97 CarbonylContact C-O 3.52Å; T75-V97 WeakPolarHBondContact CA-O 3.29Å; T75-M98 HydrophobicContact CG2-CG 4.09Å; T75-M98 HydrophobicContact CG2-SD 4.36Å
76	S	91.2	Very high	81.8	Confident	29 Å²	29	69.8 Å²	69.8	20%	0.203	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	153.9	167.5	59.9	0	0	0	0	110.1	L96 V97	S76-L96 CarbonylContact O-C 3.56Å; S76-L96 VanDerWaalsContact O-CA 3.29Å; S76-L96 WeakPolarHBondContact O-CA 3.49Å; S76-V97 PolarHBondContact N-O 3.13Å; S76-V97 PolarHBondContact O-N 2.83Å; S76-V97 PolarHBondContact OG-O 3.4Å
77	S	90.4	Very high	80.3	Confident	7 Å²	7	68.5 Å²	68.5	5%	0.049	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.1	-178.1	62.5	0	0	0	0	111.3	C23 N95	C23-S77 WeakPolarHBondContact CB-O 3.38Å; S77-N95 CarbonylContact C-O 3.57Å; S77-N95 WeakPolarHBondContact CA-O 3.49Å
78	N	90	Very high	79.2	Confident	59 Å²	59	70 Å²	70	32%	0.316	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.8	168.9	-67.9	-44.1	0	0	0	109.2	Y80 N95	N78-Y80 HydrophobicContact CB-CE2 3.83Å; N78-N95 PolarHBondContact N-O 3.09Å; N78-N95 PolarHBondContact O-N 2.94Å
79	V	89.6	Confident	78.6	Confident	25 Å²	25	72.3 Å²	72.3	15%	0.152	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.5	-177.8	179.5	0	0	0	0	109.2	V34 N36 V40 T81 I92 S93 I94	V34-V79 HydrophobicContact CG1-CG2 3.61Å; N36-V79 HydrophobicContact CB-CB 4.17Å; N36-V79 HydrophobicContact CB-CG1 4.28Å; N36-V79 HydrophobicContact CB-CG2 4.11Å; V40-V79 HydrophobicContact CG1-CG1 3.8Å; V40-V79 HydrophobicContact CG1-CG2 3.95Å; V79-T81 HydrophobicContact CG1-CG2 4.31Å; V79-I92 HydrophobicContact CG1-CG2 3.59Å; V79-S93 CarbonylContact C-O 3.57Å; V79-S93 WeakPolarHBondContact CA-O 3.5Å; V79-I94 HydrophobicContact CG2-CG1 4.34Å; V79-I94 HydrophobicContact CG2-CG2 4.23Å
80	Y	88.5	Confident	78.3	Confident	127 Å²	127	72.8 Å²	72.8	50%	0.498	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.7	176.5	-53.1	-86.8	0	0	0	108.7	N78 S93 N95	N78-Y80 HydrophobicContact CB-CE2 3.83Å; Y80-S93 PolarHBondContact N-O 3.27Å; Y80-S93 PolarHBondContact O-N 2.5Å; Y80-N95 HydrophobicContact CE2-CB 3.99Å
81	T	81.2	Confident	78.1	Confident	48 Å²	48	75.7 Å²	75.7	29%	0.294	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.2	179.9	58.2	0	0	0	0	109.5	H39 V79 E83 I92	H39-T81 HydrophobicContact CB-CG2 4.04Å; V79-T81 HydrophobicContact CG1-CG2 4.31Å; T81-E83 PolarHBondContact O-N 3.03Å; T81-I92 HydrophobicContact CG2-CG1 4.17Å; T81-I92 HydrophobicContact CG2-CG2 4.4Å
82	N	71.6	Confident	78.1	Confident	99 Å²	99	71.5 Å²	71.5	53%	0.529	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	83.4	167.9	-76.1	-8.5	0	0	0	107.3	T84 L91	N82-T84 PolarHBondContact O-N 2.9Å; N82-L91 HydrophobicContact CB-CB 4.48Å; N82-L91 PolarHBondContact N-O 2.63Å
83	E	56.8	Low	78.2	Confident	123 Å²	123	72.9 Å²	72.9	58%	0.575	38%	0.375	S	S	*	.			trans	-69.6	87.1	170.5	-71.5	-169.2	171.9	0	0	109.3	H39 T81 I85	H39-E83 IonicContact CE1-OE1 2.8Å; H39-E83 PolarHBondContact CE1-OE1 3.21Å; H39-E83 VanDerWaalsContact CE1-OE1 3.22Å; H39-E83 IonicContact NE2-OE1 3.9Å; T81-E83 PolarHBondContact O-N 3.03Å; E83-I85 PolarHBondContact O-N 2.77Å; E83-I85 VanDerWaalsContact O-N 3.14Å
84	T	48.1	Very low	78.4	Confident	92 Å²	92	67.6 Å²	67.6	56%	0.564	35%	0.352	S	S	*	.			trans	-78.8	97.1	164.2	-27.9	0	0	0	0	106.1	N82 K86 S87	N82-T84 PolarHBondContact O-N 2.9Å; T84-K86 PolarHBondContact O-N 3.36Å; T84-S87 PolarHBondContact O-N 3.02Å; T84-S87 VanDerWaalsContact O-N 3.12Å
85	I	46.4	Very low	78.6	Confident	153 Å²	153	67.3 Å²	67.3	79%	0.785	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.1	-8.1	-161.8	-68.9	168.5	0	0	0	118.7	E83	E83-I85 PolarHBondContact O-N 2.77Å; E83-I85 VanDerWaalsContact O-N 3.14Å
86	K	51.2	Low	78.7	Confident	202 Å²	202	67.2 Å²	67.2	88%	0.878	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.6	22	179	-66.4	-170.9	177.5	177.7	0	115.3	T84	T84-K86 PolarHBondContact O-N 3.36Å
87	S	54.9	Low	78.8	Confident	41 Å²	41	68.6 Å²	68.6	29%	0.287	36%	0.355	S	S	.	.			trans	-98.7	131	-175	174.2	0	0	0	0	110.3	T84 N89	T84-S87 PolarHBondContact O-N 3.02Å; T84-S87 VanDerWaalsContact O-N 3.12Å; S87-N89 WeakPolarHBondContact CB-O 3.37Å; S87-N89 PolarHBondContact O-N 2.85Å; S87-N89 WeakPolarHBondContact OG-CA 3.35Å; S87-N89 WeakPolarHBondContact OG-CB 3.46Å; S87-N89 PolarHBondContact OG-N 2.89Å; S87-N89 PolarHBondContact OG-O 2.83Å
88	D	66.7	Low	78.9	Confident	118 Å²	118	68.8 Å²	68.8	63%	0.631	36%	0.355	S	S	*	.	S	Bend	trans	-63.2	-12.4	165.6	-66	-38.4	0	0	0	111.6	E118	D88-E118 PolarHBondContact O-N 3.49Å
89	N	78.7	Confident	79	Confident	86 Å²	86	67.3 Å²	67.3	46%	0.46	35%	0.349	S	S	.	.			trans	-105.3	111.9	175.5	-60.6	-3.3	0	0	0	109.9	S87 Q116 D117	S87-N89 WeakPolarHBondContact CB-O 3.37Å; S87-N89 PolarHBondContact O-N 2.85Å; S87-N89 WeakPolarHBondContact OG-CA 3.35Å; S87-N89 WeakPolarHBondContact OG-CB 3.46Å; S87-N89 PolarHBondContact OG-N 2.89Å; S87-N89 PolarHBondContact OG-O 2.83Å; N89-Q116 WeakPolarHBondContact CA-O 3.19Å; N89-D117 PolarHBondContact OD1-OD1 3.31Å
90	Q	87.9	Confident	79.1	Confident	63 Å²	63	67.5 Å²	67.5	29%	0.294	35%	0.35	S	S	.	.			trans	-124.3	156.1	-178.1	-61.1	-173.5	10.7	0	0	110.5	Q116 F193	Q90-Q116 HydrophobicContact CB-CB 4.12Å; Q90-Q116 PolarHBondContact O-N 2.86Å; Q90-F193 HydrophobicContact CB-CD1 3.95Å; Q90-F193 HydrophobicContact CB-CE1 3.46Å; Q90-F193 VanDerWaalsContact CB-CE1 3.46Å; Q90-F193 HydrophobicContact CB-CZ 4.34Å
91	L	90.7	Very high	79.2	Confident	68 Å²	68	68.5 Å²	68.5	36%	0.356	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.4	-180	-65.2	171	0	0	0	110.1	N82 T113 V114 E115	N82-L91 HydrophobicContact CB-CB 4.48Å; N82-L91 PolarHBondContact N-O 2.63Å; L91-T113 HydrophobicContact CD2-CG2 4.16Å; L91-V114 WeakPolarHBondContact CA-O 3.11Å; L91-E115 HydrophobicContact CD2-CB 3.76Å; L91-E115 HydrophobicContact CD2-CG 3.35Å
92	I	92	Very high	79.5	Confident	2 Å²	2	70.5 Å²	70.5	1%	0.01	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.3	169.8	-57.5	171.8	0	0	0	107.5	H39 V40 V79 T81 I94 V114 A192 F193	H39-I92 HydrophobicContact CB-CD1 3.94Å; H39-I92 WeakPolarHBondContact O-CD1 3.2Å; V40-I92 HydrophobicContact CB-CD1 4.48Å; V40-I92 HydrophobicContact CG1-CG2 4.41Å; V79-I92 HydrophobicContact CG1-CG2 3.59Å; T81-I92 HydrophobicContact CG2-CG1 4.17Å; T81-I92 HydrophobicContact CG2-CG2 4.4Å; I92-I94 HydrophobicContact CG2-CG1 4Å; I92-V114 HydrophobicContact CB-CB 4.29Å; I92-V114 PolarHBondContact N-O 2.88Å; I92-V114 PolarHBondContact O-N 3.33Å; I92-A192 HydrophobicContact CD1-CB 4.44Å; I92-F193 HydrophobicContact CD1-CD1 3.87Å; I92-F193 HydrophobicContact CD1-CE1 3.51Å; I92-F193 HydrophobicContact CD1-CE2 4.26Å; I92-F193 HydrophobicContact CD1-CG 4.39Å; I92-F193 HydrophobicContact CD1-CZ 3.73Å; I92-F193 HydrophobicContact CG1-CD1 4.37Å; I92-F193 HydrophobicContact CG1-CE1 3.6Å; I92-F193 HydrophobicContact CG1-CZ 3.84Å
93	S	93.3	Very high	80.5	Confident	29 Å²	29	67.3 Å²	67.3	20%	0.203	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121	172.7	-68.3	0	0	0	0	109.4	V79 Y80 L112	V79-S93 CarbonylContact C-O 3.57Å; V79-S93 WeakPolarHBondContact CA-O 3.5Å; Y80-S93 PolarHBondContact N-O 3.27Å; Y80-S93 PolarHBondContact O-N 2.5Å; S93-L112 CarbonylContact C-O 3.57Å; S93-L112 WeakPolarHBondContact CA-O 3.5Å
94	I	94.2	Very high	82.1	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	108.7	178.5	-48.8	172.1	0	0	0	107.5	V34 V40 V79 I92 L96 L112 V114 F190	V34-I94 HydrophobicContact CG1-CG2 4.4Å; V34-I94 HydrophobicContact CG2-CG2 4.15Å; V40-I94 HydrophobicContact CG2-CD1 3.95Å; V79-I94 HydrophobicContact CG2-CG1 4.34Å; V79-I94 HydrophobicContact CG2-CG2 4.23Å; I92-I94 HydrophobicContact CG2-CG1 4Å; I94-L96 HydrophobicContact CG2-CD2 3.74Å; I94-L96 HydrophobicContact CG2-CG 4.39Å; I94-L112 HydrophobicContact CB-CB 4.25Å; I94-L112 PolarHBondContact N-O 2.89Å; I94-L112 PolarHBondContact O-N 3.48Å; I94-V114 HydrophobicContact CD1-CG2 4.12Å; I94-F190 HydrophobicContact CD1-CE2 4.12Å; I94-F190 HydrophobicContact CD1-CZ 4.15Å
95	N	94.5	Very high	84.3	Confident	40 Å²	40	60.7 Å²	60.7	21%	0.214	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	112.9	175	-176.5	19.1	0	0	0	109.7	S77 N78 Y80 L111	S77-N95 CarbonylContact C-O 3.57Å; S77-N95 WeakPolarHBondContact CA-O 3.49Å; N78-N95 PolarHBondContact N-O 3.09Å; N78-N95 PolarHBondContact O-N 2.94Å; Y80-N95 HydrophobicContact CE2-CB 3.99Å; N95-L111 HydrophobicContact CB-CD1 4.14Å
96	L	94.8	Very high	86.5	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.6	174.9	-53.1	179.7	0	0	0	109.5	V32 V34 W44 W46 T75 S76 I94 M98 S109 L110 L112	V32-L96 HydrophobicContact CG1-CD1 4.39Å; V32-L96 HydrophobicContact CG1-CD2 3.96Å; V34-L96 HydrophobicContact CG2-CD2 4.35Å; W44-L96 HydrophobicContact CZ2-CD1 3.96Å; W46-L96 HydrophobicContact CZ2-CB 4.45Å; W46-L96 HydrophobicContact CZ2-CD1 4.26Å; T75-L96 HydrophobicContact CG2-CB 3.84Å; T75-L96 HydrophobicContact CG2-CD2 4.3Å; T75-L96 HydrophobicContact CG2-CG 4.46Å; S76-L96 CarbonylContact O-C 3.56Å; S76-L96 VanDerWaalsContact O-CA 3.29Å; S76-L96 WeakPolarHBondContact O-CA 3.49Å; I94-L96 HydrophobicContact CG2-CD2 3.74Å; I94-L96 HydrophobicContact CG2-CG 4.39Å; L96-M98 HydrophobicContact CB-SD 4.21Å; L96-M98 VanDerWaalsContact O-SD 3.41Å; L96-S109 CarbonylContact O-C 3.57Å; L96-S109 WeakPolarHBondContact O-CA 3.15Å; L96-S109 VanDerWaalsContact O-CB 3.26Å; L96-S109 WeakPolarHBondContact O-CB 3.29Å; L96-L110 HydrophobicContact CB-CB 4.32Å; L96-L110 WeakPolarHBondContact CB-O 3.34Å; L96-L110 HydrophobicContact CD1-CD2 4.12Å; L96-L110 PolarHBondContact N-O 2.78Å; L96-L110 PolarHBondContact O-N 3.03Å; L96-L112 HydrophobicContact CD1-CD1 3.87Å; L96-L112 HydrophobicContact CD1-CG 4.41Å; L96-L112 HydrophobicContact CG-CD1 4.48Å
97	V	94.5	Very high	88.6	Confident	58 Å²	58	53.1 Å²	53.1	35%	0.352	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.7	177.7	-177	0	0	0	0	109.2	T75 S76	T75-V97 CarbonylContact C-O 3.52Å; T75-V97 WeakPolarHBondContact CA-O 3.29Å; S76-V97 PolarHBondContact N-O 3.13Å; S76-V97 PolarHBondContact O-N 2.83Å; S76-V97 PolarHBondContact OG-O 3.4Å
98	M	92.1	Very high	90.5	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.059	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	143.1	-169.5	-63.2	77.7	75.8	0	0	111.6	W46 F70 P72 T74 T75 L96 C108	W46-M98 HydrophobicContact CH2-CE 3.15Å; W46-M98 HydrophobicContact CH2-CG 3.97Å; W46-M98 HydrophobicContact CH2-SD 3.33Å; W46-M98 WeakPolarHBondContact CH2-SD 3.41Å; W46-M98 HydrophobicContact CZ2-CE 3.68Å; W46-M98 HydrophobicContact CZ2-CG 3.44Å; W46-M98 VanDerWaalsContact CZ2-CG 3.44Å; W46-M98 HydrophobicContact CZ2-SD 3.27Å; W46-M98 WeakPolarHBondContact CZ2-SD 3.38Å; W46-M98 HydrophobicContact CZ3-CE 4.02Å; F70-M98 HydrophobicContact CE1-CB 4.3Å; F70-M98 HydrophobicContact CZ-CB 4.35Å; P72-M98 HydrophobicContact CB-CB 4Å; P72-M98 HydrophobicContact CB-CG 3.83Å; P72-M98 HydrophobicContact CG-CB 4.23Å; P72-M98 HydrophobicContact CG-CG 3.73Å; T74-M98 WeakPolarHBondContact O-CA 3.4Å; T75-M98 HydrophobicContact CG2-CG 4.09Å; T75-M98 HydrophobicContact CG2-SD 4.36Å; L96-M98 HydrophobicContact CB-SD 4.21Å; L96-M98 VanDerWaalsContact O-SD 3.41Å; M98-C108 HydrophobicContact CB-CB 4.44Å; M98-C108 HydrophobicContact CE-CB 3.61Å; M98-C108 VanDerWaalsContact CE-O 3.27Å; M98-C108 WeakPolarHBondContact CE-O 3.47Å; M98-C108 WeakPolarHBondContact CE-SG 3.31Å; M98-C108 PolarHBondContact N-O 3.49Å; M98-C108 VanDerWaalsContact N-O 3.13Å
99	S	91.7	Very high	91.9	Very high	27 Å²	27	46.2 Å²	46.2	19%	0.189	26%	0.259	C	S	.	.			trans	-71.7	133.3	165.7	56	0	0	0	0	110.5	F70 T74	F70-S99 WeakPolarHBondContact CZ-O 3.46Å; T74-S99 PolarHBondContact N-OG 3.33Å; T74-S99 PolarHBondContact O-N 2.77Å; T74-S99 PolarHBondContact O-OG 2.89Å; T74-S99 WeakPolarHBondContact OG1-CB 3.45Å; T74-S99 PolarHBondContact OG1-OG 2.96Å
100	T	92.5	Very high	92.7	Very high	29 Å²	29	42.1 Å²	42.1	18%	0.178	24%	0.237	C	C	.	.			trans	-107.8	6.6	-178.7	53.4	0	0	0	0	112.4	F70 G102 S103 L105 K106 C108	F70-T100 HydrophobicContact CZ-CG2 4.31Å; T100-G102 PolarHBondContact O-N 3.31Å; T100-S103 VanDerWaalsContact O-CB 3.28Å; T100-S103 WeakPolarHBondContact O-CB 3.49Å; T100-S103 PolarHBondContact O-N 2.68Å; T100-S103 PolarHBondContact O-OG 2.91Å; T100-L105 VanDerWaalsContact CB-O 3.29Å; T100-L105 WeakPolarHBondContact CB-O 3.1Å; T100-L105 HydrophobicContact CG2-CB 3.86Å; T100-K106 PolarHBondContact OG1-O 3.49Å; T100-C108 HydrophobicContact CG2-CB 3.96Å
101	E	89.3	Confident	93.1	Very high	149 Å²	149	41.9 Å²	41.9	70%	0.696	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	120.6	-176.3	-68.3	-178.7	-174.8	0	0	113.3	K73 S103	K73-E101 PolarHBondContact NZ-O 2.95Å; E101-S103 VanDerWaalsContact C-N 3.28Å
102	G	87.3	Confident	93.2	Very high	89 Å²	89	38.6 Å²	38.6	92%	0.918	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.1	12.7	-177.2	0	0	0	0	0	113.9	T100	T100-G102 PolarHBondContact O-N 3.31Å
103	S	92.2	Very high	93.3	Very high	32 Å²	32	39.6 Å²	39.6	22%	0.224	23%	0.226	C	C	.	.	S	Bend	trans	-103.5	173.7	172.2	85.2	0	0	0	0	111.2	Y68 T100 E101 L105	Y68-S103 WeakPolarHBondContact OH-CB 3.46Å; T100-S103 VanDerWaalsContact O-CB 3.28Å; T100-S103 WeakPolarHBondContact O-CB 3.49Å; T100-S103 PolarHBondContact O-N 2.68Å; T100-S103 PolarHBondContact O-OG 2.91Å; E101-S103 VanDerWaalsContact C-N 3.28Å; S103-L105 VanDerWaalsContact C-N 3.27Å; S103-L105 PolarHBondContact OG-N 3.4Å; S103-L105 VanDerWaalsContact OG-N 3.08Å; S103-L105 PolarHBondContact OG-O 3.12Å
104	K	91.4	Very high	93.3	Very high	72 Å²	72	38.2 Å²	38.2	31%	0.313	22%	0.217	S	C	.	.	S	Bend	trans	-81.2	-9.8	171	-62.6	-169.6	173.5	-167.6	0	112.7	Y68 F132 A133 L136	Y68-K104 HydrophobicContact CD2-CD 4.18Å; Y68-K104 HydrophobicContact CE1-CB 4.08Å; Y68-K104 HydrophobicContact CE2-CB 4.23Å; Y68-K104 HydrophobicContact CE2-CD 4.06Å; Y68-K104 HydrophobicContact CE2-CG 3.97Å; Y68-K104 PolarHBondContact OH-N 3.4Å; K104-F132 HydrophobicContact CB-CD1 4.17Å; K104-F132 HydrophobicContact CB-CE1 4.37Å; K104-F132 WeakPolarHBondContact O-CD1 3.43Å; K104-A133 PolarHBondContact O-N 3.18Å; K104-L136 HydrophobicContact CB-CD2 4.15Å; K104-L136 HydrophobicContact CD-CD2 3.38Å; K104-L136 HydrophobicContact CG-CD2 4.41Å
105	L	93	Very high	93.2	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	146.9	174.4	-67.8	170	0	0	0	109.7	F50 Y68 F70 T100 S103 C108 Y130 E131 F132	F50-L105 HydrophobicContact CE2-CD1 4.14Å; F50-L105 HydrophobicContact CZ-CD1 4.23Å; F50-L105 HydrophobicContact CZ-CD2 4.27Å; Y68-L105 HydrophobicContact CE1-CG 4.44Å; F70-L105 HydrophobicContact CB-CD1 4Å; F70-L105 HydrophobicContact CD1-CD1 3.58Å; F70-L105 HydrophobicContact CD2-CD1 3.9Å; F70-L105 HydrophobicContact CE1-CD1 3.92Å; F70-L105 HydrophobicContact CE2-CD1 4.24Å; F70-L105 HydrophobicContact CG-CD1 3.55Å; F70-L105 HydrophobicContact CZ-CD1 4.24Å; T100-L105 VanDerWaalsContact CB-O 3.29Å; T100-L105 WeakPolarHBondContact CB-O 3.1Å; T100-L105 HydrophobicContact CG2-CB 3.86Å; S103-L105 VanDerWaalsContact C-N 3.27Å; S103-L105 PolarHBondContact OG-N 3.4Å; S103-L105 VanDerWaalsContact OG-N 3.08Å; S103-L105 PolarHBondContact OG-O 3.12Å; L105-C108 HydrophobicContact CD1-CB 4Å; L105-Y130 HydrophobicContact CD2-CD2 4.35Å; L105-E131 CarbonylContact C-O 3.53Å; L105-E131 WeakPolarHBondContact CA-O 3.41Å; L105-F132 HydrophobicContact CD2-CD1 3.71Å; L105-F132 HydrophobicContact CD2-CD2 4.05Å; L105-F132 HydrophobicContact CD2-CE1 3.52Å; L105-F132 HydrophobicContact CD2-CE2 3.89Å; L105-F132 HydrophobicContact CD2-CG 3.95Å; L105-F132 HydrophobicContact CD2-CZ 3.61Å; L105-F132 HydrophobicContact CG-CD1 4.37Å; L105-F132 HydrophobicContact CG-CE1 4.06Å; L105-F132 HydrophobicContact CG-CZ 4.47Å
106	K	93.3	Very high	93.1	Very high	121 Å²	121	40.6 Å²	40.6	53%	0.526	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-40.7	168.7	179.5	175.7	160.3	-150.9	0	110.5	T100 E131 A133	T100-K106 PolarHBondContact OG1-O 3.49Å; K106-E131 HydrophobicContact CB-CB 4.49Å; K106-E131 HydrophobicContact CB-CG 4.42Å; K106-E131 WeakPolarHBondContact CD-OE1 3.48Å; K106-E131 PolarHBondContact N-O 2.8Å; K106-E131 IonicContact NZ-OE1 3.72Å; K106-E131 PolarHBondContact NZ-OE1 2.94Å; K106-E131 IonicContact NZ-OE2 2.76Å; K106-A133 HydrophobicContact CB-CB 4.15Å
107	K	94.7	Very high	92.8	Very high	76 Å²	76	44.7 Å²	44.7	33%	0.33	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.8	176.2	-173.5	177.6	174.8	-178.9	0	109.9	Y130 E131 E148	K107-Y130 CarbonylContact O-C 3.48Å; K107-Y130 VanDerWaalsContact O-CA 3.28Å; K107-Y130 WeakPolarHBondContact O-CA 3.18Å; K107-E131 HydrophobicContact CB-CB 3.79Å; K107-E131 PolarHBondContact N-O 3.01Å; K107-E131 PolarHBondContact O-N 3.03Å; K107-E148 VanDerWaalsContact CD-OE2 3.31Å; K107-E148 WeakPolarHBondContact CD-OE2 3.5Å; K107-E148 WeakPolarHBondContact CE-OE2 3.33Å; K107-E148 VanDerWaalsContact NZ-CD 3.27Å; K107-E148 IonicContact NZ-OE1 3.22Å; K107-E148 PolarHBondContact NZ-OE1 2.66Å; K107-E148 IonicContact NZ-OE2 3.1Å; K107-E148 PolarHBondContact NZ-OE2 3.49Å
108	C	95.2	Very high	92.5	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.014	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	123.7	171.3	-158.3	0	0	0	0	109.2	L48 F70 M98 T100 L105 I129	L48-C108 WeakPolarHBondContact CD1-SG 3.32Å; F70-C108 HydrophobicContact CE1-CB 4.11Å; M98-C108 HydrophobicContact CB-CB 4.44Å; M98-C108 HydrophobicContact CE-CB 3.61Å; M98-C108 VanDerWaalsContact CE-O 3.27Å; M98-C108 WeakPolarHBondContact CE-O 3.47Å; M98-C108 WeakPolarHBondContact CE-SG 3.31Å; M98-C108 PolarHBondContact N-O 3.49Å; M98-C108 VanDerWaalsContact N-O 3.13Å; T100-C108 HydrophobicContact CG2-CB 3.96Å; L105-C108 HydrophobicContact CD1-CB 4Å; C108-I129 CarbonylContact C-O 3.57Å; C108-I129 WeakPolarHBondContact CA-O 3.41Å
109	S	95.8	Very high	92.5	Very high	11 Å²	11	52.3 Å²	52.3	8%	0.077	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	146	172.4	56.9	0	0	0	0	110.9	L96 I129	L96-S109 CarbonylContact O-C 3.57Å; L96-S109 WeakPolarHBondContact O-CA 3.15Å; L96-S109 VanDerWaalsContact O-CB 3.26Å; L96-S109 WeakPolarHBondContact O-CB 3.29Å; S109-I129 PolarHBondContact N-O 2.96Å; S109-I129 PolarHBondContact O-N 2.81Å
110	L	96.4	Very high	92.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120.3	178.1	179.6	72.9	0	0	0	109.7	W46 L96 L112 M126 T127 L128 F177 I183 F185	W46-L110 HydrophobicContact CE3-CD2 4.36Å; W46-L110 HydrophobicContact CH2-CB 3.6Å; W46-L110 HydrophobicContact CH2-CD2 3.92Å; W46-L110 HydrophobicContact CH2-CG 4.4Å; W46-L110 HydrophobicContact CZ3-CB 4.01Å; W46-L110 HydrophobicContact CZ3-CD2 3.75Å; W46-L110 HydrophobicContact CZ3-CG 4.44Å; L96-L110 HydrophobicContact CB-CB 4.32Å; L96-L110 WeakPolarHBondContact CB-O 3.34Å; L96-L110 HydrophobicContact CD1-CD2 4.12Å; L96-L110 PolarHBondContact N-O 2.78Å; L96-L110 PolarHBondContact O-N 3.03Å; L110-L112 HydrophobicContact CD1-CD2 4.5Å; L110-L112 HydrophobicContact CD2-CD2 3.56Å; L110-L112 HydrophobicContact CD2-CG 4Å; L110-L112 HydrophobicContact CG-CD2 3.91Å; L110-L112 HydrophobicContact CG-CG 4.2Å; L110-M126 HydrophobicContact CD1-CB 4.28Å; L110-T127 WeakPolarHBondContact CA-O 3.49Å; L110-L128 HydrophobicContact CD1-CB 4.31Å; L110-L128 HydrophobicContact CD1-CD1 4.46Å; L110-F177 HydrophobicContact CD1-CZ 3.75Å; L110-I183 HydrophobicContact CD1-CD1 4.39Å; L110-I183 HydrophobicContact CD2-CD1 3.41Å; L110-I183 VanDerWaalsContact CD2-CD1 3.41Å; L110-F185 HydrophobicContact CD2-CE1 4.43Å; L110-F185 HydrophobicContact CD2-CZ 4.08Å
111	L	95.8	Very high	92.6	Very high	58 Å²	58	54.8 Å²	54.8	30%	0.304	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	117	168.8	-177.1	64.7	0	0	0	109	N95 M126 T127	N95-L111 HydrophobicContact CB-CD1 4.14Å; L111-M126 CarbonylContact O-C 3.56Å; L111-M126 WeakPolarHBondContact O-CA 3.16Å; L111-T127 PolarHBondContact N-O 3.47Å; L111-T127 PolarHBondContact O-N 3.41Å
112	L	94	Very high	92.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	131.9	171.6	-59.5	173.8	0	0	0	109.2	W44 S93 I94 L96 L110 W123 M126 F185	W44-L112 HydrophobicContact CH2-CD1 4.39Å; W44-L112 HydrophobicContact CZ2-CD1 3.87Å; S93-L112 CarbonylContact C-O 3.57Å; S93-L112 WeakPolarHBondContact CA-O 3.5Å; I94-L112 HydrophobicContact CB-CB 4.25Å; I94-L112 PolarHBondContact N-O 2.89Å; I94-L112 PolarHBondContact O-N 3.48Å; L96-L112 HydrophobicContact CD1-CD1 3.87Å; L96-L112 HydrophobicContact CD1-CG 4.41Å; L96-L112 HydrophobicContact CG-CD1 4.48Å; L110-L112 HydrophobicContact CD1-CD2 4.5Å; L110-L112 HydrophobicContact CD2-CD2 3.56Å; L110-L112 HydrophobicContact CD2-CG 4Å; L110-L112 HydrophobicContact CG-CD2 3.91Å; L110-L112 HydrophobicContact CG-CG 4.2Å; L112-W123 HydrophobicContact CD1-CE3 4.04Å; L112-W123 HydrophobicContact CD1-CH2 3.75Å; L112-W123 HydrophobicContact CD1-CZ2 4.45Å; L112-W123 HydrophobicContact CD1-CZ3 3.52Å; L112-W123 HydrophobicContact CD2-CE3 3.92Å; L112-W123 HydrophobicContact CD2-CZ3 3.92Å; L112-W123 HydrophobicContact CG-CE3 4.48Å; L112-W123 HydrophobicContact CG-CZ3 4.32Å; L112-M126 HydrophobicContact CD2-CB 4.27Å; L112-M126 HydrophobicContact CD2-CE 4.12Å; L112-M126 HydrophobicContact CD2-CG 3.67Å; L112-M126 HydrophobicContact CD2-SD 3.79Å; L112-F185 HydrophobicContact CD2-CZ 4.28Å
113	T	93	Very high	93.1	Very high	22 Å²	22	43.6 Å²	43.6	14%	0.135	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.7	169.4	-60	0	0	0	0	109.3	L91 E115 W123 T124 N125	L91-T113 HydrophobicContact CD2-CG2 4.16Å; T113-E115 HydrophobicContact CG2-CG 3.92Å; T113-W123 CarbonylContact O-C 3.58Å; T113-W123 WeakPolarHBondContact O-CA 3.24Å; T113-T124 PolarHBondContact O-N 3.05Å; T113-N125 PolarHBondContact N-O 3.07Å; T113-N125 PolarHBondContact OG1-O 2.87Å
114	V	93.7	Very high	93	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.9	173.2	-170.4	0	0	0	0	107.4	L91 I92 I94 F121 A122 W123 F190 A192 F193	L91-V114 WeakPolarHBondContact CA-O 3.11Å; I92-V114 HydrophobicContact CB-CB 4.29Å; I92-V114 PolarHBondContact N-O 2.88Å; I92-V114 PolarHBondContact O-N 3.33Å; I94-V114 HydrophobicContact CD1-CG2 4.12Å; V114-F121 HydrophobicContact CG1-CB 4.26Å; V114-F121 HydrophobicContact CG1-CD2 4.01Å; V114-F121 HydrophobicContact CG1-CG 4.48Å; V114-A122 WeakPolarHBondContact CA-O 3.36Å; V114-W123 HydrophobicContact CG2-CG 4.36Å; V114-F190 HydrophobicContact CG1-CE1 4.24Å; V114-F190 HydrophobicContact CG2-CE1 4.32Å; V114-F190 HydrophobicContact CG2-CZ 3.94Å; V114-A192 HydrophobicContact CG1-CB 3.98Å; V114-F193 HydrophobicContact CG1-CE2 3.93Å; V114-F193 HydrophobicContact CG1-CZ 4.38Å
115	E	92.7	Very high	92.7	Very high	65 Å²	65	41.5 Å²	41.5	30%	0.304	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	134.3	-178.5	-44.7	-168	175.6	0	0	109.2	L91 T113 F121 A122 T124	L91-E115 HydrophobicContact CD2-CB 3.76Å; L91-E115 HydrophobicContact CD2-CG 3.35Å; T113-E115 HydrophobicContact CG2-CG 3.92Å; E115-F121 CarbonylContact O-C 3.6Å; E115-F121 WeakPolarHBondContact O-CA 3.33Å; E115-A122 PolarHBondContact N-O 2.81Å; E115-A122 PolarHBondContact O-N 2.71Å; E115-T124 HydrophobicContact CB-CG2 4.21Å; E115-T124 HydrophobicContact CG-CG2 3.61Å; E115-T124 VanDerWaalsContact CG-OG1 3.25Å; E115-T124 WeakPolarHBondContact CG-OG1 3.32Å; E115-T124 PolarHBondContact OE1-OG1 3.01Å
116	Q	91.8	Very high	92.8	Very high	25 Å²	25	41.3 Å²	41.3	12%	0.117	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	136.8	165.9	-170.7	-180	-8.2	0	0	109.1	N89 Q90 E118 Y120 T163 F193	N89-Q116 WeakPolarHBondContact CA-O 3.19Å; Q90-Q116 HydrophobicContact CB-CB 4.12Å; Q90-Q116 PolarHBondContact O-N 2.86Å; Q116-E118 PolarHBondContact NE2-O 2.91Å; Q116-Y120 CarbonylContact C-O 3.45Å; Q116-Y120 VanDerWaalsContact CA-O 3.29Å; Q116-Y120 WeakPolarHBondContact CA-O 3.47Å; Q116-Y120 WeakPolarHBondContact CG-O 3.16Å; Q116-T163 HydrophobicContact CG-CG2 3.97Å; Q116-F193 HydrophobicContact CB-CD1 4.1Å; Q116-F193 HydrophobicContact CB-CD2 3.86Å; Q116-F193 HydrophobicContact CB-CE1 3.83Å; Q116-F193 HydrophobicContact CB-CE2 3.57Å; Q116-F193 HydrophobicContact CB-CG 4.11Å; Q116-F193 HydrophobicContact CB-CZ 3.56Å; Q116-F193 HydrophobicContact CG-CD2 4.17Å; Q116-F193 HydrophobicContact CG-CE2 4.36Å; Q116-F193 HydrophobicContact CG-CG 4.28Å; Q116-F193 VanDerWaalsContact OE1-CG 3.3Å
117	D	88.7	Confident	92.9	Very high	86 Å²	86	36.9 Å²	36.9	46%	0.46	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	107.9	166.6	-173.1	23.1	0	0	0	107.3	N89 E119 Y120	N89-D117 PolarHBondContact OD1-OD1 3.31Å; D117-E119 PolarHBondContact O-N 3.36Å; D117-E119 VanDerWaalsContact O-N 3.13Å; D117-Y120 PolarHBondContact N-O 2.77Å; D117-Y120 PolarHBondContact O-N 2.74Å
118	E	88.3	Confident	93	Very high	130 Å²	130	33.3 Å²	33.3	61%	0.607	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	-113.3	-172.8	-58.6	-177.6	168.6	0	0	112.8	D88 Q116	D88-E118 PolarHBondContact O-N 3.49Å; Q116-E118 PolarHBondContact NE2-O 2.91Å
119	E	91.4	Very high	93	Very high	101 Å²	101	35.1 Å²	35.1	47%	0.472	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	0.5	-178.5	-63.7	-171.7	179.6	0	0	113.4	D117 R162 T163	D117-E119 PolarHBondContact O-N 3.36Å; D117-E119 VanDerWaalsContact O-N 3.13Å; E119-R162 CarbonylContact O-C 3.4Å; E119-R162 VanDerWaalsContact O-CA 3.31Å; E119-R162 WeakPolarHBondContact O-CA 3.38Å; E119-R162 IonicContact OE2-CZ 3.86Å; E119-R162 IonicContact OE2-NE 3.43Å; E119-R162 IonicContact OE2-NH2 3.03Å; E119-R162 PolarHBondContact OE2-NH2 3.47Å; E119-T163 WeakPolarHBondContact O-CG2 3.27Å; E119-T163 PolarHBondContact O-N 2.88Å; E119-T163 PolarHBondContact O-OG1 3.16Å; E119-T163 VanDerWaalsContact O-OG1 3.12Å
120	Y	93.1	Very high	93	Very high	106 Å²	106	35.2 Å²	35.2	42%	0.416	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	153.7	-175.6	-63.6	-93.6	0	0	0	111.9	Q116 D117 L160 T161 R162	Q116-Y120 CarbonylContact C-O 3.45Å; Q116-Y120 VanDerWaalsContact CA-O 3.29Å; Q116-Y120 WeakPolarHBondContact CA-O 3.47Å; Q116-Y120 WeakPolarHBondContact CG-O 3.16Å; D117-Y120 PolarHBondContact N-O 2.77Å; D117-Y120 PolarHBondContact O-N 2.74Å; Y120-L160 HydrophobicContact CD1-CD1 4.48Å; Y120-T161 CarbonylContact C-O 3.49Å; Y120-T161 WeakPolarHBondContact CA-O 3.49Å; Y120-R162 HydrophobicContact CD1-CB 4.46Å; Y120-R162 HydrophobicContact CD1-CG 3.64Å; Y120-R162 HydrophobicContact CE1-CG 3.3Å; Y120-R162 HydrophobicContact CG-CG 4.48Å
121	F	93.4	Very high	92.9	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151.9	164.8	71	-95.3	0	0	0	111.5	V114 E115 L160 T161 R162 T163 F190 A192 F193	V114-F121 HydrophobicContact CG1-CB 4.26Å; V114-F121 HydrophobicContact CG1-CD2 4.01Å; V114-F121 HydrophobicContact CG1-CG 4.48Å; E115-F121 CarbonylContact O-C 3.6Å; E115-F121 WeakPolarHBondContact O-CA 3.33Å; F121-L160 CarbonylContact O-C 3.51Å; F121-L160 WeakPolarHBondContact O-CA 3.24Å; F121-T161 HydrophobicContact CE1-CG2 4.13Å; F121-T161 HydrophobicContact CZ-CG2 4.05Å; F121-T161 PolarHBondContact N-O 2.86Å; F121-T161 PolarHBondContact O-N 2.8Å; F121-T161 VanDerWaalsContact O-O 3.13Å; F121-R162 VanDerWaalsContact CE1-O 3.3Å; F121-R162 WeakPolarHBondContact CE1-O 3.45Å; F121-T163 HydrophobicContact CD1-CG2 4.35Å; F121-F190 HydrophobicContact CD2-CE1 4.29Å; F121-F190 AromaticContact CE2-CD1 3.63Å; F121-F190 HydrophobicContact CE2-CD1 3.63Å; F121-F190 AromaticContact CE2-CE1 3.83Å; F121-F190 HydrophobicContact CE2-CE1 3.83Å; F121-F190 HydrophobicContact CZ-CD1 4.08Å; F121-F190 HydrophobicContact CZ-CE1 4.48Å; F121-A192 HydrophobicContact CD1-CB 4.16Å; F121-A192 HydrophobicContact CD2-CB 4.1Å; F121-A192 HydrophobicContact CE1-CB 4.4Å; F121-A192 HydrophobicContact CE2-CB 4.38Å; F121-A192 HydrophobicContact CG-CB 3.99Å; F121-F193 HydrophobicContact CB-CD2 3.74Å; F121-F193 HydrophobicContact CB-CE2 3.56Å; F121-F193 HydrophobicContact CG-CD2 4.36Å; F121-F193 HydrophobicContact CG-CE2 4.42Å
122	A	93.8	Very high	92.7	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.017	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	153.5	171.2	0	0	0	0	0	110.7	V114 E115 Q157 L160	V114-A122 WeakPolarHBondContact CA-O 3.36Å; E115-A122 PolarHBondContact N-O 2.81Å; E115-A122 PolarHBondContact O-N 2.71Å; A122-Q157 HydrophobicContact CB-CB 3.83Å; A122-Q157 HydrophobicContact CB-CG 3.88Å; A122-L160 HydrophobicContact CB-CB 4.27Å; A122-L160 HydrophobicContact CB-CD1 3.89Å
123	W	92.9	Very high	92.5	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	132.4	164	-67	26.2	0	0	0	108.2	W44 L112 T113 V114 M126 K158 F159 F185 M188 F190	W44-W123 HydrophobicContact CD2-CH2 4.14Å; W44-W123 AromaticContact CE2-CH2 3.94Å; W44-W123 HydrophobicContact CE3-CH2 4.28Å; W44-W123 HydrophobicContact CH2-CH2 4.06Å; W44-W123 HydrophobicContact CH2-CZ2 4.31Å; W44-W123 AromaticContact CZ2-CH2 3.89Å; W44-W123 HydrophobicContact CZ2-CH2 3.89Å; W44-W123 HydrophobicContact CZ3-CH2 4.26Å; W44-W123 HydrophobicContact CZ3-CZ2 4.28Å; L112-W123 HydrophobicContact CD1-CE3 4.04Å; L112-W123 HydrophobicContact CD1-CH2 3.75Å; L112-W123 HydrophobicContact CD1-CZ2 4.45Å; L112-W123 HydrophobicContact CD1-CZ3 3.52Å; L112-W123 HydrophobicContact CD2-CE3 3.92Å; L112-W123 HydrophobicContact CD2-CZ3 3.92Å; L112-W123 HydrophobicContact CG-CE3 4.48Å; L112-W123 HydrophobicContact CG-CZ3 4.32Å; T113-W123 CarbonylContact O-C 3.58Å; T113-W123 WeakPolarHBondContact O-CA 3.24Å; V114-W123 HydrophobicContact CG2-CG 4.36Å; W123-M126 HydrophobicContact CB-CE 4.36Å; W123-M126 HydrophobicContact CE3-CE 3.56Å; W123-M126 HydrophobicContact CZ3-CE 4.26Å; W123-K158 HydrophobicContact CB-CB 4.29Å; W123-K158 PolarHBondContact N-O 2.85Å; W123-K158 WeakPolarHBondContact O-CA 3.27Å; W123-K158 WeakPolarHBondContact O-CB 3.29Å; W123-K158 PolarHBondContact O-N 3.27Å; W123-K158 VanDerWaalsContact O-O 3.08Å; W123-F159 HydrophobicContact CB-CD2 3.94Å; W123-F159 AromaticContact CD2-CD2 3.63Å; W123-F159 HydrophobicContact CD2-CD2 3.63Å; W123-F159 HydrophobicContact CD2-CE2 4.25Å; W123-F159 AromaticContact CE3-CD2 3.61Å; W123-F159 HydrophobicContact CE3-CD2 3.61Å; W123-F159 AromaticContact CE3-CE2 3.73Å; W123-F159 HydrophobicContact CE3-CE2 3.73Å; W123-F159 HydrophobicContact CG-CB 4.42Å; W123-F159 AromaticContact CG-CD2 3.81Å; W123-F159 HydrophobicContact CG-CD2 3.81Å; W123-F159 HydrophobicContact CZ3-CD2 4.24Å; W123-F159 HydrophobicContact CZ3-CE2 4.08Å; W123-F185 HydrophobicContact CZ3-CD1 4.38Å; W123-F185 AromaticContact CZ3-CE1 3.91Å; W123-F185 HydrophobicContact CZ3-CE1 3.91Å; W123-F185 HydrophobicContact CZ3-CZ 4Å; W123-M188 HydrophobicContact CH2-CE 3.6Å; W123-M188 HydrophobicContact CZ2-CE 3.89Å; W123-M188 HydrophobicContact CZ3-CE 3.95Å; W123-F190 HydrophobicContact CZ2-CD1 4.33Å; W123-F190 AromaticContact CZ2-CD2 3.64Å; W123-F190 HydrophobicContact CZ2-CD2 3.64Å; W123-F190 HydrophobicContact CZ2-CE1 4.42Å; W123-F190 AromaticContact CZ2-CE2 3.72Å; W123-F190 HydrophobicContact CZ2-CE2 3.72Å; W123-F190 AromaticContact CZ2-CG 3.95Å; W123-F190 HydrophobicContact CZ2-CG 3.95Å; W123-F190 HydrophobicContact CZ2-CZ 4.13Å; W123-F190 AromaticContact NE1-CD1 3.36Å; W123-F190 AromaticContact NE1-CE1 3.1Å; W123-F190 AromaticContact NE1-CE2 3.93Å; W123-F190 AromaticContact NE1-CG 3.87Å; W123-F190 AromaticContact NE1-CZ 3.41Å
124	T	89.6	Confident	92.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-110.7	-175	61.1	0	0	0	0	110.8	T113 E115 M126 Q157 K158	T113-T124 PolarHBondContact O-N 3.05Å; E115-T124 HydrophobicContact CB-CG2 4.21Å; E115-T124 HydrophobicContact CG-CG2 3.61Å; E115-T124 VanDerWaalsContact CG-OG1 3.25Å; E115-T124 WeakPolarHBondContact CG-OG1 3.32Å; E115-T124 PolarHBondContact OE1-OG1 3.01Å; T124-M126 PolarHBondContact O-N 3.33Å; T124-M126 VanDerWaalsContact O-N 3.07Å; T124-Q157 HydrophobicContact CG2-CG 4.23Å; T124-K158 PolarHBondContact O-NZ 2.83Å
125	N	86.7	Confident	91.5	Very high	59 Å²	59	45 Å²	45	32%	0.316	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	103.1	-176.6	-64.3	-58.4	0	0	0	109.5	T113 S155	T113-N125 PolarHBondContact N-O 3.07Å; T113-N125 PolarHBondContact OG1-O 2.87Å; N125-S155 WeakPolarHBondContact OD1-CA 3.13Å; N125-S155 VanDerWaalsContact OD1-CB 3.27Å; N125-S155 WeakPolarHBondContact OD1-CB 3.33Å
126	M	94.6	Very high	91	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.3	167.4	-53.1	-178.5	-176.2	0	0	109.7	L110 L111 L112 W123 T124 S152 T153 K158 F159 I175 F177 F185	L110-M126 HydrophobicContact CD1-CB 4.28Å; L111-M126 CarbonylContact O-C 3.56Å; L111-M126 WeakPolarHBondContact O-CA 3.16Å; L112-M126 HydrophobicContact CD2-CB 4.27Å; L112-M126 HydrophobicContact CD2-CE 4.12Å; L112-M126 HydrophobicContact CD2-CG 3.67Å; L112-M126 HydrophobicContact CD2-SD 3.79Å; W123-M126 HydrophobicContact CB-CE 4.36Å; W123-M126 HydrophobicContact CE3-CE 3.56Å; W123-M126 HydrophobicContact CZ3-CE 4.26Å; T124-M126 PolarHBondContact O-N 3.33Å; T124-M126 VanDerWaalsContact O-N 3.07Å; M126-S152 CarbonylContact O-C 3.59Å; M126-S152 WeakPolarHBondContact O-CA 3.45Å; M126-T153 HydrophobicContact CB-CG2 3.94Å; M126-T153 PolarHBondContact N-OG1 2.75Å; M126-T153 PolarHBondContact O-N 2.87Å; M126-T153 PolarHBondContact O-OG1 2.66Å; M126-K158 HydrophobicContact CE-CD 3.63Å; M126-K158 HydrophobicContact SD-CD 4.42Å; M126-F159 HydrophobicContact CE-CD2 4.46Å; M126-F159 HydrophobicContact CE-CE2 3.88Å; M126-I175 HydrophobicContact CE-CG1 4.35Å; M126-I175 HydrophobicContact SD-CG2 4.2Å; M126-F177 HydrophobicContact CB-CE1 4.23Å; M126-F177 HydrophobicContact CB-CZ 3.76Å; M126-F177 WeakPolarHBondContact O-CE1 3.37Å; M126-F185 HydrophobicContact CE-CE2 3.74Å; M126-F185 HydrophobicContact CE-CZ 4.07Å; M126-F185 HydrophobicContact SD-CE2 3.78Å; M126-F185 HydrophobicContact SD-CZ 3.93Å
127	T	95.9	Very high	90.3	Very high	28 Å²	28	42.8 Å²	42.8	17%	0.172	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119	176.3	-60.4	0	0	0	0	110.3	L110 L111 T150 I151 S152	L110-T127 WeakPolarHBondContact CA-O 3.49Å; L111-T127 PolarHBondContact N-O 3.47Å; L111-T127 PolarHBondContact O-N 3.41Å; T127-T150 HydrophobicContact CG2-CG2 3.56Å; T127-I151 CarbonylContact C-O 3.58Å; T127-I151 WeakPolarHBondContact CA-O 3.45Å; T127-S152 WeakPolarHBondContact CG2-OG 3.26Å; T127-S152 PolarHBondContact OG1-OG 3.4Å
128	L	96.4	Very high	89.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129	176	179.2	70.6	0	0	0	109.3	L48 L110 Y130 T150 I151 F177 I181	L48-L128 HydrophobicContact CD1-CD1 3.76Å; L48-L128 HydrophobicContact CD1-CD2 4.35Å; L48-L128 HydrophobicContact CD2-CD1 4.27Å; L48-L128 HydrophobicContact CD2-CD2 3.97Å; L110-L128 HydrophobicContact CD1-CB 4.31Å; L110-L128 HydrophobicContact CD1-CD1 4.46Å; L128-Y130 HydrophobicContact CD2-CD1 3.93Å; L128-Y130 HydrophobicContact CD2-CE1 4.49Å; L128-Y130 HydrophobicContact CG-CD1 4.05Å; L128-T150 WeakPolarHBondContact O-CA 3.11Å; L128-I151 HydrophobicContact CB-CG2 3.98Å; L128-I151 HydrophobicContact CD2-CG2 4.24Å; L128-I151 HydrophobicContact CG-CG2 4.49Å; L128-I151 PolarHBondContact N-O 2.85Å; L128-I151 PolarHBondContact O-N 3.12Å; L128-F177 HydrophobicContact CB-CD1 3.98Å; L128-F177 HydrophobicContact CB-CE1 3.59Å; L128-F177 HydrophobicContact CB-CZ 3.93Å; L128-I181 HydrophobicContact CD2-CG2 3.8Å
129	I	95.8	Very high	88	Confident	41 Å²	41	41.6 Å²	41.6	21%	0.21	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.8	170.7	-53.2	170.4	0	0	0	107.2	C108 S109 E148 A149 T150	C108-I129 CarbonylContact C-O 3.57Å; C108-I129 WeakPolarHBondContact CA-O 3.41Å; S109-I129 PolarHBondContact N-O 2.96Å; S109-I129 PolarHBondContact O-N 2.81Å; I129-E148 HydrophobicContact CG2-CG 3.69Å; I129-A149 CarbonylContact C-O 3.5Å; I129-A149 VanDerWaalsContact CA-O 3.29Å; I129-A149 WeakPolarHBondContact CA-O 3.04Å; I129-T150 HydrophobicContact CG1-CG2 4.12Å
130	Y	94.7	Very high	86.1	Confident	13 Å²	13	38.6 Å²	38.6	5%	0.051	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	155.6	-178.6	69.7	-83.3	0	0	0	111.8	F50 L105 K107 L128 F132 L144 E148 A149 I151 I181	F50-Y130 HydrophobicContact CE1-CD1 4.36Å; F50-Y130 AromaticContact CE1-CD2 3.84Å; F50-Y130 HydrophobicContact CE1-CD2 3.84Å; F50-Y130 HydrophobicContact CE1-CE1 4.49Å; F50-Y130 HydrophobicContact CE1-CE2 4Å; F50-Y130 HydrophobicContact CE1-CG 4.05Å; F50-Y130 HydrophobicContact CZ-CD2 4.42Å; F50-Y130 HydrophobicContact CZ-CG 4.41Å; L105-Y130 HydrophobicContact CD2-CD2 4.35Å; K107-Y130 CarbonylContact O-C 3.48Å; K107-Y130 VanDerWaalsContact O-CA 3.28Å; K107-Y130 WeakPolarHBondContact O-CA 3.18Å; L128-Y130 HydrophobicContact CD2-CD1 3.93Å; L128-Y130 HydrophobicContact CD2-CE1 4.49Å; L128-Y130 HydrophobicContact CG-CD1 4.05Å; Y130-F132 AromaticContact CD2-CD2 3.9Å; Y130-F132 HydrophobicContact CD2-CD2 3.9Å; Y130-F132 AromaticContact CD2-CE2 3.68Å; Y130-F132 HydrophobicContact CD2-CE2 3.68Å; Y130-F132 AromaticContact CE2-CD2 3.92Å; Y130-F132 HydrophobicContact CE2-CD2 3.92Å; Y130-F132 AromaticContact CE2-CE2 3.64Å; Y130-F132 HydrophobicContact CE2-CE2 3.64Å; Y130-L144 HydrophobicContact CE2-CD2 4.17Å; Y130-L144 WeakPolarHBondContact OH-CD2 3.47Å; Y130-E148 WeakPolarHBondContact O-CA 3.07Å; Y130-A149 HydrophobicContact CD1-CB 4.27Å; Y130-A149 HydrophobicContact CE1-CB 3.72Å; Y130-A149 HydrophobicContact CE2-CB 4.08Å; Y130-A149 PolarHBondContact N-O 3.27Å; Y130-A149 PolarHBondContact O-N 3.12Å; Y130-I151 HydrophobicContact CE1-CG2 4.03Å; Y130-I181 HydrophobicContact CD1-CD1 4.44Å; Y130-I181 HydrophobicContact CE1-CD1 3.55Å; Y130-I181 HydrophobicContact CE2-CD1 4.5Å; Y130-I181 WeakPolarHBondContact OH-CD1 3.42Å
131	E	93.9	Very high	84.2	Confident	33 Å²	33	40 Å²	40	15%	0.154	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	129.6	174.3	-174	-172.5	173.4	0	0	107.4	L105 K106 K107 I146	L105-E131 CarbonylContact C-O 3.53Å; L105-E131 WeakPolarHBondContact CA-O 3.41Å; K106-E131 HydrophobicContact CB-CB 4.49Å; K106-E131 HydrophobicContact CB-CG 4.42Å; K106-E131 WeakPolarHBondContact CD-OE1 3.48Å; K106-E131 PolarHBondContact N-O 2.8Å; K106-E131 IonicContact NZ-OE1 3.72Å; K106-E131 PolarHBondContact NZ-OE1 2.94Å; K106-E131 IonicContact NZ-OE2 2.76Å; K107-E131 HydrophobicContact CB-CB 3.79Å; K107-E131 PolarHBondContact N-O 3.01Å; K107-E131 PolarHBondContact O-N 3.03Å; E131-I146 WeakPolarHBondContact CG-O 3.44Å
132	F	91.7	Very high	82.2	Confident	3 Å²	3	44.6 Å²	44.6	1%	0.013	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	139.5	172.8	-79.5	-81.8	0	0	0	111	F50 Y68 K104 L105 Y130 E134 L136 L144	F50-F132 HydrophobicContact CB-CZ 4.35Å; F50-F132 AromaticContact CD1-CE2 3.87Å; F50-F132 HydrophobicContact CD1-CE2 3.87Å; F50-F132 AromaticContact CD1-CZ 3.7Å; F50-F132 HydrophobicContact CD1-CZ 3.7Å; F50-F132 AromaticContact CD2-CZ 4Å; F50-F132 HydrophobicContact CD2-CZ 4Å; F50-F132 AromaticContact CE1-CE2 3.93Å; F50-F132 HydrophobicContact CE1-CE2 3.93Å; F50-F132 AromaticContact CE1-CZ 3.89Å; F50-F132 HydrophobicContact CE1-CZ 3.89Å; F50-F132 HydrophobicContact CE2-CZ 4.18Å; F50-F132 HydrophobicContact CG-CE2 4.38Å; F50-F132 AromaticContact CG-CZ 3.76Å; F50-F132 HydrophobicContact CG-CZ 3.76Å; F50-F132 HydrophobicContact CZ-CE2 4.49Å; F50-F132 HydrophobicContact CZ-CZ 4.13Å; Y68-F132 AromaticContact CD1-CE1 3.82Å; Y68-F132 HydrophobicContact CD1-CE1 3.82Å; Y68-F132 HydrophobicContact CD1-CZ 4.24Å; Y68-F132 AromaticContact CE1-CE1 3.94Å; Y68-F132 HydrophobicContact CE1-CE1 3.94Å; K104-F132 HydrophobicContact CB-CD1 4.17Å; K104-F132 HydrophobicContact CB-CE1 4.37Å; K104-F132 WeakPolarHBondContact O-CD1 3.43Å; L105-F132 HydrophobicContact CD2-CD1 3.71Å; L105-F132 HydrophobicContact CD2-CD2 4.05Å; L105-F132 HydrophobicContact CD2-CE1 3.52Å; L105-F132 HydrophobicContact CD2-CE2 3.89Å; L105-F132 HydrophobicContact CD2-CG 3.95Å; L105-F132 HydrophobicContact CD2-CZ 3.61Å; L105-F132 HydrophobicContact CG-CD1 4.37Å; L105-F132 HydrophobicContact CG-CE1 4.06Å; L105-F132 HydrophobicContact CG-CZ 4.47Å; Y130-F132 AromaticContact CD2-CD2 3.9Å; Y130-F132 HydrophobicContact CD2-CD2 3.9Å; Y130-F132 AromaticContact CD2-CE2 3.68Å; Y130-F132 HydrophobicContact CD2-CE2 3.68Å; Y130-F132 AromaticContact CE2-CD2 3.92Å; Y130-F132 HydrophobicContact CE2-CD2 3.92Å; Y130-F132 AromaticContact CE2-CE2 3.64Å; Y130-F132 HydrophobicContact CE2-CE2 3.64Å; F132-E134 VanDerWaalsContact C-N 3.31Å; F132-E134 WeakPolarHBondContact CB-O 3.35Å; F132-L136 HydrophobicContact CD1-CD1 4.39Å; F132-L136 HydrophobicContact CD1-CD2 3.95Å; F132-L136 HydrophobicContact CD1-CG 3.9Å; F132-L136 HydrophobicContact CE1-CD1 3.6Å; F132-L136 HydrophobicContact CE1-CD2 3.62Å; F132-L136 HydrophobicContact CE1-CG 3.57Å; F132-L136 HydrophobicContact CE2-CD1 4.24Å; F132-L136 HydrophobicContact CZ-CD1 3.5Å; F132-L136 HydrophobicContact CZ-CD2 4.39Å; F132-L136 HydrophobicContact CZ-CG 3.91Å; F132-L144 HydrophobicContact CD2-CB 4.35Å; F132-L144 HydrophobicContact CE2-CB 4.2Å; F132-L144 HydrophobicContact CE2-CD1 4.21Å
133	A	89.3	Confident	80.6	Confident	68 Å²	68	47.6 Å²	47.6	56%	0.562	29%	0.286	S	S	*	.	S	Bend	trans	-72	-30.8	173.3	0	0	0	0	0	111.8	K104 K106	K104-A133 PolarHBondContact O-N 3.18Å; K106-A133 HydrophobicContact CB-CB 4.15Å
134	E	84.7	Confident	79.3	Confident	106 Å²	106	48.5 Å²	48.5	50%	0.495	29%	0.291	S	S	.	.	S	Bend	trans	-144.9	151.4	179.1	59.8	179.6	-163.3	0	0	110.2	F132 L136	F132-E134 VanDerWaalsContact C-N 3.31Å; F132-E134 WeakPolarHBondContact CB-O 3.35Å; E134-L136 PolarHBondContact O-N 2.05Å
135	P	82.2	Confident	78.2	Confident	75 Å²	75	50.5 Å²	50.5	49%	0.487	30%	0.304	S	S	.	.			trans	-57.6	135.6	176.4	-21.6	32	0	0	0	111.8	S137 I146	P135-S137 WeakPolarHBondContact CB-O 3.27Å; P135-S137 PolarHBondContact O-N 2.79Å; P135-I146 HydrophobicContact CB-CG2 4.4Å; P135-I146 HydrophobicContact CG-CG2 3.75Å
136	L	81.8	Confident	77.7	Confident	18 Å²	18	52.4 Å²	52.4	9%	0.094	31%	0.313	C	S	.	.	S	Bend	trans	-68.3	-23	173.1	-72.7	-171.7	0	0	0	113.1	F50 Y52 Y68 K104 F132 E134 L144	F50-L136 HydrophobicContact CB-CD1 4.01Å; Y52-L136 HydrophobicContact CD1-CB 4.18Å; Y52-L136 HydrophobicContact CD1-CD1 3.86Å; Y52-L136 HydrophobicContact CD2-CB 4.37Å; Y52-L136 HydrophobicContact CE1-CB 4.23Å; Y52-L136 HydrophobicContact CE1-CD1 4.01Å; Y52-L136 HydrophobicContact CE2-CB 4.38Å; Y52-L136 WeakPolarHBondContact CE2-O 3.41Å; Y52-L136 HydrophobicContact CG-CB 4.26Å; Y68-L136 HydrophobicContact CD1-CD1 4.17Å; Y68-L136 HydrophobicContact CD1-CD2 4.1Å; Y68-L136 HydrophobicContact CG-CD1 4.23Å; Y68-L136 HydrophobicContact CG-CD2 3.96Å; K104-L136 HydrophobicContact CB-CD2 4.15Å; K104-L136 HydrophobicContact CD-CD2 3.38Å; K104-L136 HydrophobicContact CG-CD2 4.41Å; F132-L136 HydrophobicContact CD1-CD1 4.39Å; F132-L136 HydrophobicContact CD1-CD2 3.95Å; F132-L136 HydrophobicContact CD1-CG 3.9Å; F132-L136 HydrophobicContact CE1-CD1 3.6Å; F132-L136 HydrophobicContact CE1-CD2 3.62Å; F132-L136 HydrophobicContact CE1-CG 3.57Å; F132-L136 HydrophobicContact CE2-CD1 4.24Å; F132-L136 HydrophobicContact CZ-CD1 3.5Å; F132-L136 HydrophobicContact CZ-CD2 4.39Å; F132-L136 HydrophobicContact CZ-CG 3.91Å; E134-L136 PolarHBondContact O-N 2.05Å; L136-L144 HydrophobicContact CD1-CD1 3.66Å
137	S	76.3	Confident	77.3	Confident	25 Å²	25	55.9 Å²	55.9	18%	0.175	34%	0.338	C	S	.	.			trans	-140.2	143.4	178.7	-176.5	0	0	0	0	110.4	P135 L139	P135-S137 WeakPolarHBondContact CB-O 3.27Å; P135-S137 PolarHBondContact O-N 2.79Å; S137-L139 WeakPolarHBondContact OG-CB 3.48Å; S137-L139 WeakPolarHBondContact OG-CD1 3.36Å; S137-L139 PolarHBondContact OG-N 2.84Å
138	T	67.8	Low	77.1	Confident	145 Å²	145	59 Å²	59	89%	0.89	35%	0.35	S	S	*	.	S	Bend	trans	-81.8	-6.8	171.9	55.4	0	0	0	0	112.2
139	L	61.7	Low	76.9	Confident	46 Å²	46	59.8 Å²	59.8	24%	0.241	36%	0.356	C	S	.	.	S	Bend	trans	-86.3	-15.9	-162.6	-67	160.2	0	0	0	113.7	A54 S55 K56 S137	A54-L139 WeakPolarHBondContact O-CD1 3.49Å; S55-L139 VanDerWaalsContact CA-CD1 3.44Å; K56-L139 WeakPolarHBondContact CE-O 3.15Å; K56-L139 HydrophobicContact CG-CB 4.09Å; K56-L139 HydrophobicContact CG-CD2 4.13Å; K56-L139 WeakPolarHBondContact CG-O 3.27Å; S137-L139 WeakPolarHBondContact OG-CB 3.48Å; S137-L139 WeakPolarHBondContact OG-CD1 3.36Å; S137-L139 PolarHBondContact OG-N 2.84Å
140	S	51.8	Low	76.9	Confident	38 Å²	38	62.1 Å²	62.1	27%	0.266	37%	0.373	S	S	.	.			trans	-167.8	135	175.8	35.3	0	0	0	0	110.4	S142	S140-S142 PolarHBondContact O-N 3.13Å
141	P	53.1	Low	76.8	Confident	135 Å²	135	63.8 Å²	63.8	88%	0.877	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-8.5	175.2	21.8	-27.2	0	0	0	113.9
142	S	51.1	Low	76.8	Confident	98 Å²	98	65.1 Å²	65.1	69%	0.685	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-15.2	-161.2	61.7	0	0	0	0	116.8	S140	S140-S142 PolarHBondContact O-N 3.13Å
143	E	59.5	Low	77	Confident	66 Å²	66	65.7 Å²	65.7	31%	0.308	40%	0.399	S	S	.	.	S	Bend	trans	-91.4	-39.1	-166.5	-69.6	-155.7	-164.3	0	0	114.9	P53	P53-E143 WeakPolarHBondContact CD-OE1 3.34Å; P53-E143 WeakPolarHBondContact CD-OE2 3.49Å; P53-E143 VanDerWaalsContact CG-OE1 3.29Å; P53-E143 WeakPolarHBondContact CG-OE1 3.42Å
144	L	65.9	Low	76.9	Confident	19 Å²	19	65.4 Å²	65.4	10%	0.099	39%	0.393	C	S	.	.	S	Bend	trans	-139	108.5	175.9	-69.1	168.7	0	0	0	107.7	F50 Y130 F132 L136 I181	F50-L144 HydrophobicContact CB-CD1 4.01Å; F50-L144 HydrophobicContact CD1-CD1 4.34Å; F50-L144 HydrophobicContact CD1-CD2 4.24Å; Y130-L144 HydrophobicContact CE2-CD2 4.17Å; Y130-L144 WeakPolarHBondContact OH-CD2 3.47Å; F132-L144 HydrophobicContact CD2-CB 4.35Å; F132-L144 HydrophobicContact CE2-CB 4.2Å; F132-L144 HydrophobicContact CE2-CD1 4.21Å; L136-L144 HydrophobicContact CD1-CD1 3.66Å; L144-I181 HydrophobicContact CD2-CD1 4.1Å; L144-I181 HydrophobicContact CD2-CG1 4.39Å
145	P	67.6	Low	77	Confident	44 Å²	44	64.2 Å²	64.2	29%	0.286	40%	0.396	S	S	.	.			trans	-67.1	147	-174.5	29.2	-35.9	0	0	0	110.9	A149	P145-A149 HydrophobicContact CG-CB 3.74Å
146	I	76.8	Confident	77.3	Confident	99 Å²	99	65.8 Å²	65.8	51%	0.508	40%	0.4	S	S	.	.	S	Bend	trans	-79.2	-9.5	166.4	53.9	168.5	0	0	0	112.2	E131 P135	E131-I146 WeakPolarHBondContact CG-O 3.44Å; P135-I146 HydrophobicContact CB-CG2 4.4Å; P135-I146 HydrophobicContact CG-CG2 3.75Å
147	S	85.2	Confident	77.6	Confident	74 Å²	74	70.3 Å²	70.3	52%	0.517	42%	0.421	S	S	.	.	S	Bend	trans	-83.6	159.7	166.6	61.5	0	0	0	0	110.4	A149	S147-A149 PolarHBondContact O-N 2.73Å
148	E	92.5	Very high	78.3	Confident	93 Å²	93	70.2 Å²	70.2	44%	0.435	42%	0.417	S	S	.	.			trans	-52.9	130.4	172.2	-176.7	169.6	131.1	0	0	111.1	K107 I129 Y130	K107-E148 VanDerWaalsContact CD-OE2 3.31Å; K107-E148 WeakPolarHBondContact CD-OE2 3.5Å; K107-E148 WeakPolarHBondContact CE-OE2 3.33Å; K107-E148 VanDerWaalsContact NZ-CD 3.27Å; K107-E148 IonicContact NZ-OE1 3.22Å; K107-E148 PolarHBondContact NZ-OE1 2.66Å; K107-E148 IonicContact NZ-OE2 3.1Å; K107-E148 PolarHBondContact NZ-OE2 3.49Å; I129-E148 HydrophobicContact CG2-CG 3.69Å; Y130-E148 WeakPolarHBondContact O-CA 3.07Å
149	A	92.1	Very high	79.3	Confident	16 Å²	16	64.1 Å²	64.1	13%	0.132	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.9	176.6	0	0	0	0	0	110	I129 Y130 P145 S147	I129-A149 CarbonylContact C-O 3.5Å; I129-A149 VanDerWaalsContact CA-O 3.29Å; I129-A149 WeakPolarHBondContact CA-O 3.04Å; Y130-A149 HydrophobicContact CD1-CB 4.27Å; Y130-A149 HydrophobicContact CE1-CB 3.72Å; Y130-A149 HydrophobicContact CE2-CB 4.08Å; Y130-A149 PolarHBondContact N-O 3.27Å; Y130-A149 PolarHBondContact O-N 3.12Å; P145-A149 HydrophobicContact CG-CB 3.74Å; S147-A149 PolarHBondContact O-N 2.73Å
150	T	94.4	Very high	80.7	Confident	90 Å²	90	65.9 Å²	65.9	55%	0.552	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.4	175.5	-59.4	0	0	0	0	108.3	T127 L128 I129	T127-T150 HydrophobicContact CG2-CG2 3.56Å; L128-T150 WeakPolarHBondContact O-CA 3.11Å; I129-T150 HydrophobicContact CG1-CG2 4.12Å
151	I	93.5	Very high	82.7	Confident	48 Å²	48	64.2 Å²	64.2	25%	0.246	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	141.2	178.4	-172.5	165.5	0	0	0	109.8	T127 L128 Y130 F177 I181	T127-I151 CarbonylContact C-O 3.58Å; T127-I151 WeakPolarHBondContact CA-O 3.45Å; L128-I151 HydrophobicContact CB-CG2 3.98Å; L128-I151 HydrophobicContact CD2-CG2 4.24Å; L128-I151 HydrophobicContact CG-CG2 4.49Å; L128-I151 PolarHBondContact N-O 2.85Å; L128-I151 PolarHBondContact O-N 3.12Å; Y130-I151 HydrophobicContact CE1-CG2 4.03Å; I151-F177 HydrophobicContact CD1-CB 4.02Å; I151-F177 WeakPolarHBondContact CD1-O 3.14Å; I151-F177 HydrophobicContact CG1-CB 4.15Å; I151-F177 HydrophobicContact CG1-CD1 4.36Å; I151-F177 HydrophobicContact CG2-CB 4.1Å; I151-F177 HydrophobicContact CG2-CD1 3.86Å; I151-F177 HydrophobicContact CG2-CG 4.32Å; I151-F177 WeakPolarHBondContact O-CD1 3.37Å; I151-F177 WeakPolarHBondContact O-CE1 3.41Å; I151-I181 HydrophobicContact CG2-CD1 4.35Å
152	S	94.7	Very high	84.7	Confident	62 Å²	62	61.1 Å²	61.1	43%	0.434	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	154.3	179.7	-54.5	0	0	0	0	111.3	M126 T127	M126-S152 CarbonylContact O-C 3.59Å; M126-S152 WeakPolarHBondContact O-CA 3.45Å; T127-S152 WeakPolarHBondContact CG2-OG 3.26Å; T127-S152 PolarHBondContact OG1-OG 3.4Å
153	T	94.2	Very high	86.6	Confident	14 Å²	14	56.5 Å²	56.5	9%	0.086	32%	0.315	C	S	.	.			trans	-76.7	172.1	170.3	56.6	0	0	0	0	111.2	M126 I175 F177	M126-T153 HydrophobicContact CB-CG2 3.94Å; M126-T153 PolarHBondContact N-OG1 2.75Å; M126-T153 PolarHBondContact O-N 2.87Å; M126-T153 PolarHBondContact O-OG1 2.66Å; T153-I175 HydrophobicContact CG2-CG2 3.58Å; T153-F177 HydrophobicContact CG2-CD1 3.73Å; T153-F177 HydrophobicContact CG2-CD2 3.91Å; T153-F177 HydrophobicContact CG2-CE1 3.54Å; T153-F177 HydrophobicContact CG2-CE2 3.7Å; T153-F177 HydrophobicContact CG2-CG 3.93Å; T153-F177 HydrophobicContact CG2-CZ 3.52Å
154	S	88.6	Confident	88.2	Confident	62 Å²	62	56.5 Å²	56.5	43%	0.434	32%	0.317	S	S	.	.			trans	-62.3	156	166.3	65.6	0	0	0	0	111	D156 K158	S154-D156 WeakPolarHBondContact CB-OD2 3.25Å; S154-D156 PolarHBondContact O-N 3.1Å; S154-D156 VanDerWaalsContact O-N 3.16Å; S154-D156 PolarHBondContact OG-OD2 2.85Å; S154-K158 PolarHBondContact O-NZ 2.82Å
155	S	85.9	Confident	89.5	Confident	81 Å²	81	56.5 Å²	56.5	57%	0.566	32%	0.316	S	S	*	.	S	Bend	trans	-73	3.4	176	58.4	0	0	0	0	114.2	N125	N125-S155 WeakPolarHBondContact OD1-CA 3.13Å; N125-S155 VanDerWaalsContact OD1-CB 3.27Å; N125-S155 WeakPolarHBondContact OD1-CB 3.33Å
156	D	89.2	Confident	90.8	Very high	108 Å²	108	54.5 Å²	54.5	58%	0.578	30%	0.303	S	S	*	.			trans	-61.5	139.3	178.9	-55.4	-42.6	0	0	0	110.3	S154 K158	S154-D156 WeakPolarHBondContact CB-OD2 3.25Å; S154-D156 PolarHBondContact O-N 3.1Å; S154-D156 VanDerWaalsContact O-N 3.16Å; S154-D156 PolarHBondContact OG-OD2 2.85Å; D156-K158 PolarHBondContact O-N 3.39Å; D156-K158 PolarHBondContact O-NZ 3.21Å
157	Q	88.4	Confident	91.7	Very high	113 Å²	113	50.3 Å²	50.3	53%	0.528	28%	0.281	S	S	.	.			trans	-63.4	133.8	176.2	-69.9	176.7	-18.5	0	0	110.6	A122 T124	A122-Q157 HydrophobicContact CB-CB 3.83Å; A122-Q157 HydrophobicContact CB-CG 3.88Å; T124-Q157 HydrophobicContact CG2-CG 4.23Å
158	K	90.3	Very high	92.1	Very high	23 Å²	23	47.7 Å²	47.7	10%	0.1	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	144.9	177	-57.9	162	-168.7	71.2	0	106.6	W123 T124 M126 S154 D156 L160 I175	W123-K158 HydrophobicContact CB-CB 4.29Å; W123-K158 PolarHBondContact N-O 2.85Å; W123-K158 WeakPolarHBondContact O-CA 3.27Å; W123-K158 WeakPolarHBondContact O-CB 3.29Å; W123-K158 PolarHBondContact O-N 3.27Å; W123-K158 VanDerWaalsContact O-O 3.08Å; T124-K158 PolarHBondContact O-NZ 2.83Å; M126-K158 HydrophobicContact CE-CD 3.63Å; M126-K158 HydrophobicContact SD-CD 4.42Å; S154-K158 PolarHBondContact O-NZ 2.82Å; D156-K158 PolarHBondContact O-N 3.39Å; D156-K158 PolarHBondContact O-NZ 3.21Å; K158-L160 VanDerWaalsContact C-N 3.35Å; K158-L160 PolarHBondContact O-N 3.32Å; K158-I175 HydrophobicContact CD-CD1 3.93Å; K158-I175 HydrophobicContact CD-CG1 4.36Å; K158-I175 HydrophobicContact CD-CG2 3.98Å; K158-I175 HydrophobicContact CG-CD1 4.22Å
159	F	89.5	Confident	92.1	Very high	18 Å²	18	43.2 Å²	43.2	8%	0.079	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.8	49	172.9	-42.3	-48.7	0	0	0	113.1	W123 M126 Y167 I173 I175 F185 M188	W123-F159 HydrophobicContact CB-CD2 3.94Å; W123-F159 AromaticContact CD2-CD2 3.63Å; W123-F159 HydrophobicContact CD2-CD2 3.63Å; W123-F159 HydrophobicContact CD2-CE2 4.25Å; W123-F159 AromaticContact CE3-CD2 3.61Å; W123-F159 HydrophobicContact CE3-CD2 3.61Å; W123-F159 AromaticContact CE3-CE2 3.73Å; W123-F159 HydrophobicContact CE3-CE2 3.73Å; W123-F159 HydrophobicContact CG-CB 4.42Å; W123-F159 AromaticContact CG-CD2 3.81Å; W123-F159 HydrophobicContact CG-CD2 3.81Å; W123-F159 HydrophobicContact CZ3-CD2 4.24Å; W123-F159 HydrophobicContact CZ3-CE2 4.08Å; M126-F159 HydrophobicContact CE-CD2 4.46Å; M126-F159 HydrophobicContact CE-CE2 3.88Å; F159-Y167 HydrophobicContact CB-CD1 4.19Å; F159-Y167 HydrophobicContact CB-CE1 3.83Å; F159-Y167 HydrophobicContact CB-CE2 4.28Å; F159-Y167 AromaticContact CD1-CE1 3.77Å; F159-Y167 HydrophobicContact CD1-CE1 3.77Å; F159-Y167 AromaticContact CD1-CZ 3.6Å; F159-Y167 WeakPolarHBondContact CD1-OH 3.19Å; F159-Y167 AromaticContact CG-CE1 3.97Å; F159-Y167 HydrophobicContact CG-CE1 3.97Å; F159-I173 HydrophobicContact CE1-CB 4.05Å; F159-I173 HydrophobicContact CE1-CG1 4.09Å; F159-I173 HydrophobicContact CE1-CG2 3.81Å; F159-I173 HydrophobicContact CZ-CB 4.28Å; F159-I173 HydrophobicContact CZ-CG2 4.08Å; F159-I175 HydrophobicContact CZ-CD1 4.3Å; F159-I175 HydrophobicContact CZ-CG1 4.39Å; F159-F185 HydrophobicContact CE2-CD2 4.17Å; F159-F185 HydrophobicContact CE2-CE2 4.43Å; F159-F185 HydrophobicContact CZ-CB 4.45Å; F159-F185 HydrophobicContact CZ-CD2 4.01Å; F159-F185 HydrophobicContact CZ-CG 4.45Å; F159-M188 HydrophobicContact CD1-CE 4.42Å; F159-M188 HydrophobicContact CD1-SD 4.32Å; F159-M188 HydrophobicContact CD2-CE 3.77Å; F159-M188 HydrophobicContact CE1-CE 4.33Å; F159-M188 HydrophobicContact CE1-SD 3.85Å; F159-M188 HydrophobicContact CE2-CE 3.7Å; F159-M188 HydrophobicContact CE2-SD 4.09Å; F159-M188 HydrophobicContact CG-CE 4.12Å; F159-M188 HydrophobicContact CZ-CE 3.98Å; F159-M188 HydrophobicContact CZ-SD 3.72Å
160	L	90.5	Very high	92	Very high	82 Å²	82	47.5 Å²	47.5	43%	0.429	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	130.2	179.3	178.2	71.4	0	0	0	110.4	Y120 F121 A122 K158	Y120-L160 HydrophobicContact CD1-CD1 4.48Å; F121-L160 CarbonylContact O-C 3.51Å; F121-L160 WeakPolarHBondContact O-CA 3.24Å; A122-L160 HydrophobicContact CB-CB 4.27Å; A122-L160 HydrophobicContact CB-CD1 3.89Å; K158-L160 VanDerWaalsContact C-N 3.35Å; K158-L160 PolarHBondContact O-N 3.32Å
161	T	94.1	Very high	91.9	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	160.3	-178.5	-60.6	0	0	0	0	110.3	Y120 F121 E165 Y167 E206	Y120-T161 CarbonylContact C-O 3.49Å; Y120-T161 WeakPolarHBondContact CA-O 3.49Å; F121-T161 HydrophobicContact CE1-CG2 4.13Å; F121-T161 HydrophobicContact CZ-CG2 4.05Å; F121-T161 PolarHBondContact N-O 2.86Å; F121-T161 PolarHBondContact O-N 2.8Å; F121-T161 VanDerWaalsContact O-O 3.13Å; T161-E165 HydrophobicContact CG2-CB 3.8Å; T161-Y167 WeakPolarHBondContact OG1-CB 3.39Å; T161-Y167 WeakPolarHBondContact OG1-CD2 3.06Å; T161-E206 HydrophobicContact CG2-CB 3.64Å; T161-E206 HydrophobicContact CG2-CG 4.3Å
162	R	93.9	Very high	91.8	Very high	71 Å²	71	46.6 Å²	46.6	27%	0.268	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	148.2	174.2	-60.7	179.8	73.4	-165.4	-0.3	111.8	E119 Y120 F121 D164 E165	E119-R162 CarbonylContact O-C 3.4Å; E119-R162 VanDerWaalsContact O-CA 3.31Å; E119-R162 WeakPolarHBondContact O-CA 3.38Å; E119-R162 IonicContact OE2-CZ 3.86Å; E119-R162 IonicContact OE2-NE 3.43Å; E119-R162 IonicContact OE2-NH2 3.03Å; E119-R162 PolarHBondContact OE2-NH2 3.47Å; Y120-R162 HydrophobicContact CD1-CB 4.46Å; Y120-R162 HydrophobicContact CD1-CG 3.64Å; Y120-R162 HydrophobicContact CE1-CG 3.3Å; Y120-R162 HydrophobicContact CG-CG 4.48Å; F121-R162 VanDerWaalsContact CE1-O 3.3Å; F121-R162 WeakPolarHBondContact CE1-O 3.45Å; R162-D164 VanDerWaalsContact CB-OD1 3.23Å; R162-D164 WeakPolarHBondContact CB-OD1 2.97Å; R162-D164 IonicContact CZ-OD1 3.6Å; R162-D164 IonicContact NE-OD1 2.73Å; R162-D164 PolarHBondContact O-N 2.68Å; R162-E165 HydrophobicContact CB-CB 4.18Å; R162-E165 HydrophobicContact CB-CG 3.85Å; R162-E165 IonicContact NH1-OE1 3.76Å; R162-E165 PolarHBondContact O-N 3.48Å
163	T	92.2	Very high	91.7	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.3	179.4	56.7	0	0	0	0	113.6	Q116 E119 F121 F193 K194 R203	Q116-T163 HydrophobicContact CG-CG2 3.97Å; E119-T163 WeakPolarHBondContact O-CG2 3.27Å; E119-T163 PolarHBondContact O-N 2.88Å; E119-T163 PolarHBondContact O-OG1 3.16Å; E119-T163 VanDerWaalsContact O-OG1 3.12Å; F121-T163 HydrophobicContact CD1-CG2 4.35Å; T163-F193 HydrophobicContact CG2-CB 4.24Å; T163-F193 HydrophobicContact CG2-CD2 4.33Å; T163-K194 WeakPolarHBondContact O-CB 3.13Å; T163-K194 PolarHBondContact OG1-NZ 2.89Å; T163-R203 PolarHBondContact O-NH2 2.88Å
164	D	91.8	Very high	91.7	Very high	65 Å²	65	46.1 Å²	46.1	35%	0.348	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	1.1	176	61.9	-28.8	0	0	0	113.6	R162 R203	R162-D164 VanDerWaalsContact CB-OD1 3.23Å; R162-D164 WeakPolarHBondContact CB-OD1 2.97Å; R162-D164 IonicContact CZ-OD1 3.6Å; R162-D164 IonicContact NE-OD1 2.73Å; R162-D164 PolarHBondContact O-N 2.68Å; D164-R203 VanDerWaalsContact O-CG 3.32Å; D164-R203 WeakPolarHBondContact O-CG 3.33Å; D164-R203 PolarHBondContact O-NE 3.31Å
165	E	94.4	Very high	91.9	Very high	20 Å²	20	44.2 Å²	44.2	9%	0.093	23%	0.232	C	C	.	.	S	Bend	trans	-111.2	169.8	-178.7	-63.8	-179.6	168.8	0	0	111.8	T161 R162 L204	T161-E165 HydrophobicContact CG2-CB 3.8Å; R162-E165 HydrophobicContact CB-CB 4.18Å; R162-E165 HydrophobicContact CB-CG 3.85Å; R162-E165 IonicContact NH1-OE1 3.76Å; R162-E165 PolarHBondContact O-N 3.48Å; E165-L204 WeakPolarHBondContact CA-O 3.11Å; E165-L204 HydrophobicContact CG-CB 4.01Å
166	V	94.5	Very high	92.3	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.8	172.6	-174.5	0	0	0	0	108.7	V168 T189 Q191 I199 R203 L204 Q205 E206	V166-V168 HydrophobicContact CG1-CG2 4.07Å; V166-T189 HydrophobicContact CG1-CG2 3.71Å; V166-Q191 HydrophobicContact CB-CG 4.17Å; V166-Q191 HydrophobicContact CG1-CG 3.9Å; V166-Q191 HydrophobicContact CG2-CG 3.78Å; V166-I199 HydrophobicContact CG1-CD1 3.98Å; V166-I199 HydrophobicContact CG2-CD1 4.13Å; V166-I199 HydrophobicContact CG2-CG1 4.18Å; V166-I199 HydrophobicContact CG2-CG2 3.78Å; V166-R203 HydrophobicContact CG2-CG 4.04Å; V166-L204 PolarHBondContact N-O 2.91Å; V166-Q205 HydrophobicContact CB-CG 4.34Å; V166-Q205 CarbonylContact O-C 3.58Å; V166-Q205 VanDerWaalsContact O-CA 3.28Å; V166-Q205 WeakPolarHBondContact O-CA 3.25Å; V166-E206 PolarHBondContact O-N 3.04Å
167	Y	95	Very high	92.4	Very high	11 Å²	11	42.2 Å²	42.2	4%	0.043	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	128.7	171.5	180	-106.8	0	0	0	110	F159 T161 C169 M188 T189 F190 C208	F159-Y167 HydrophobicContact CB-CD1 4.19Å; F159-Y167 HydrophobicContact CB-CE1 3.83Å; F159-Y167 HydrophobicContact CB-CE2 4.28Å; F159-Y167 AromaticContact CD1-CE1 3.77Å; F159-Y167 HydrophobicContact CD1-CE1 3.77Å; F159-Y167 AromaticContact CD1-CZ 3.6Å; F159-Y167 WeakPolarHBondContact CD1-OH 3.19Å; F159-Y167 AromaticContact CG-CE1 3.97Å; F159-Y167 HydrophobicContact CG-CE1 3.97Å; T161-Y167 WeakPolarHBondContact OG1-CB 3.39Å; T161-Y167 WeakPolarHBondContact OG1-CD2 3.06Å; Y167-C169 HydrophobicContact CE1-CB 3.77Å; Y167-C169 WeakPolarHBondContact OH-CB 3.25Å; Y167-M188 HydrophobicContact CE1-CB 4.27Å; Y167-M188 HydrophobicContact CE1-CE 4.16Å; Y167-M188 HydrophobicContact CE1-SD 4.14Å; Y167-T189 CarbonylContact O-C 3.5Å; Y167-T189 VanDerWaalsContact O-CA 3.3Å; Y167-T189 WeakPolarHBondContact O-CA 3.02Å; Y167-F190 PolarHBondContact N-O 2.79Å; Y167-F190 PolarHBondContact O-N 2.88Å; Y167-C208 HydrophobicContact CE2-CB 3.89Å; Y167-C208 WeakPolarHBondContact OH-CB 3.28Å
168	V	94	Very high	92.3	Very high	19 Å²	19	39.2 Å²	39.2	12%	0.115	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.2	178.1	-176.5	0	0	0	0	110.5	V166 M188 T189 Q205 E206 V207 C208	V166-V168 HydrophobicContact CG1-CG2 4.07Å; V168-M188 CarbonylContact C-O 3.58Å; V168-M188 WeakPolarHBondContact CA-O 3.27Å; V168-T189 HydrophobicContact CG2-CG2 4.49Å; V168-Q205 HydrophobicContact CG2-CB 4.21Å; V168-Q205 HydrophobicContact CG2-CG 4.32Å; V168-E206 PolarHBondContact N-O 3.34Å; V168-V207 CarbonylContact O-C 3.52Å; V168-V207 WeakPolarHBondContact O-CA 3.49Å; V168-C208 PolarHBondContact O-N 3.36Å
169	C	92.4	Very high	92	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	107.6	176.3	-163.5	0	0	0	0	111.2	Y167 S187 M188 C208 D211	Y167-C169 HydrophobicContact CE1-CB 3.77Å; Y167-C169 WeakPolarHBondContact OH-CB 3.25Å; C169-S187 CarbonylContact O-C 3.53Å; C169-S187 VanDerWaalsContact O-CA 3.25Å; C169-S187 WeakPolarHBondContact O-CA 3.02Å; C169-S187 PolarHBondContact O-N 3.01Å; C169-S187 VanDerWaalsContact O-N 3.12Å; C169-M188 HydrophobicContact CB-CB 4.28Å; C169-M188 PolarHBondContact N-O 3.39Å; C169-M188 PolarHBondContact O-N 2.83Å; C169-C208 VanDerWaalsContact CA-SG 3.54Å; C169-C208 HydrophobicContact CB-CB 3.54Å; C169-C208 WeakPolarHBondContact CB-SG 3.48Å; C169-C208 WeakPolarHBondContact SG-CB 3.34Å; C169-C208 CovalentContact SG-SG 2.05Å; C169-C208 PolarHBondContact SG-SG 2.95Å; C169-D211 WeakPolarHBondContact CA-OD2 3.29Å
170	D	91.4	Very high	91.9	Very high	106 Å²	106	48.1 Å²	48.1	57%	0.567	25%	0.252	S	S	*	.			trans	-77	-38.5	175.6	-72.5	-31	0	0	0	112.2	S187 D211	D170-S187 PolarHBondContact O-N 2.89Å; D170-D211 PolarHBondContact N-OD2 2.74Å
171	T	90.9	Very high	92	Very high	49 Å²	49	44.5 Å²	44.5	30%	0.301	23%	0.233	S	C	.	.	S	Bend	trans	-65.2	145.9	-177.7	-74.5	0	0	0	0	112.8	I173 R210 D211	T171-I173 HydrophobicContact CG2-CD1 4.42Å; T171-I173 PolarHBondContact O-N 2.91Å; T171-R210 HydrophobicContact CG2-CB 3.93Å; T171-D211 WeakPolarHBondContact CB-OD1 3.14Å; T171-D211 PolarHBondContact N-OD1 3.26Å; T171-D211 VanDerWaalsContact N-OD1 3.12Å; T171-D211 PolarHBondContact N-OD2 3.01Å; T171-D211 VanDerWaalsContact N-OD2 3.13Å; T171-D211 PolarHBondContact OG1-OD1 2.8Å
172	E	91.4	Very high	92	Very high	70 Å²	70	45.5 Å²	45.5	33%	0.327	24%	0.237	S	C	.	.			trans	-66.5	121.5	173	-170.7	173.4	94.1	0	0	111.8	K47 L184 F185 R210	K47-E172 WeakPolarHBondContact CE-OE2 3.21Å; K47-E172 IonicContact NZ-OE1 3.88Å; K47-E172 IonicContact NZ-OE2 3.89Å; K47-E172 PolarHBondContact NZ-OE2 2.91Å; E172-L184 HydrophobicContact CG-CB 3.88Å; E172-L184 HydrophobicContact CG-CD2 3.87Å; E172-L184 HydrophobicContact CG-CG 4.38Å; E172-F185 CarbonylContact C-O 3.57Å; E172-F185 VanDerWaalsContact CA-O 3.29Å; E172-F185 WeakPolarHBondContact CA-O 3.11Å; E172-R210 PolarHBondContact O-NH1 3.43Å
173	I	93.2	Very high	92.1	Very high	20 Å²	20	42.1 Å²	42.1	10%	0.103	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	111.1	178.6	-51.5	-57.8	0	0	0	110.2	F159 T171 I175 F185 R210	F159-I173 HydrophobicContact CE1-CB 4.05Å; F159-I173 HydrophobicContact CE1-CG1 4.09Å; F159-I173 HydrophobicContact CE1-CG2 3.81Å; F159-I173 HydrophobicContact CZ-CB 4.28Å; F159-I173 HydrophobicContact CZ-CG2 4.08Å; T171-I173 HydrophobicContact CG2-CD1 4.42Å; T171-I173 PolarHBondContact O-N 2.91Å; I173-I175 HydrophobicContact CG2-CD1 4Å; I173-F185 PolarHBondContact N-O 2.85Å; I173-F185 PolarHBondContact O-N 2.79Å; I173-R210 HydrophobicContact CD1-CB 4.43Å; I173-R210 VanDerWaalsContact CD1-CD 3.49Å; I173-R210 HydrophobicContact CD1-CG 4.11Å
174	P	93.5	Very high	92.2	Very high	46 Å²	46	42.2 Å²	42.2	30%	0.299	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.9	171.8	29.4	-31.1	0	0	0	111.3	I183 L184	P174-I183 CarbonylContact C-O 3.58Å; P174-I183 WeakPolarHBondContact CA-O 3.29Å; P174-L184 HydrophobicContact CB-CD2 3.59Å
175	I	94.6	Very high	92.4	Very high	21 Å²	21	39.1 Å²	39.1	11%	0.108	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.7	167	-51.3	-62.5	0	0	0	108.2	M126 T153 K158 F159 I173 E182 I183 F185	M126-I175 HydrophobicContact CE-CG1 4.35Å; M126-I175 HydrophobicContact SD-CG2 4.2Å; T153-I175 HydrophobicContact CG2-CG2 3.58Å; K158-I175 HydrophobicContact CD-CD1 3.93Å; K158-I175 HydrophobicContact CD-CG1 4.36Å; K158-I175 HydrophobicContact CD-CG2 3.98Å; K158-I175 HydrophobicContact CG-CD1 4.22Å; F159-I175 HydrophobicContact CZ-CD1 4.3Å; F159-I175 HydrophobicContact CZ-CG1 4.39Å; I173-I175 HydrophobicContact CG2-CD1 4Å; I175-E182 WeakPolarHBondContact O-CA 3.25Å; I175-I183 HydrophobicContact CB-CG2 3.57Å; I175-I183 HydrophobicContact CG1-CG2 4.28Å; I175-I183 HydrophobicContact CG2-CG2 4.34Å; I175-I183 PolarHBondContact N-O 2.82Å; I175-I183 WeakPolarHBondContact O-CG2 3.36Å; I175-I183 PolarHBondContact O-N 2.87Å; I175-F185 HydrophobicContact CG1-CD2 4.01Å; I175-F185 HydrophobicContact CG1-CE2 4Å
176	K	93.5	Very high	92.4	Very high	146 Å²	146	39.5 Å²	39.5	64%	0.635	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.8	-176.1	-64.2	-173.4	176.9	-173.4	0	111.6	E182	K176-E182 HydrophobicContact CG-CB 4.46Å
177	F	91.9	Very high	92.4	Very high	1 Å²	1	42 Å²	42	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	86.9	166.8	-73.3	-98.2	0	0	0	107.9	L110 M126 L128 I151 T153 I181 I183	L110-F177 HydrophobicContact CD1-CZ 3.75Å; M126-F177 HydrophobicContact CB-CE1 4.23Å; M126-F177 HydrophobicContact CB-CZ 3.76Å; M126-F177 WeakPolarHBondContact O-CE1 3.37Å; L128-F177 HydrophobicContact CB-CD1 3.98Å; L128-F177 HydrophobicContact CB-CE1 3.59Å; L128-F177 HydrophobicContact CB-CZ 3.93Å; I151-F177 HydrophobicContact CD1-CB 4.02Å; I151-F177 WeakPolarHBondContact CD1-O 3.14Å; I151-F177 HydrophobicContact CG1-CB 4.15Å; I151-F177 HydrophobicContact CG1-CD1 4.36Å; I151-F177 HydrophobicContact CG2-CB 4.1Å; I151-F177 HydrophobicContact CG2-CD1 3.86Å; I151-F177 HydrophobicContact CG2-CG 4.32Å; I151-F177 WeakPolarHBondContact O-CD1 3.37Å; I151-F177 WeakPolarHBondContact O-CE1 3.41Å; T153-F177 HydrophobicContact CG2-CD1 3.73Å; T153-F177 HydrophobicContact CG2-CD2 3.91Å; T153-F177 HydrophobicContact CG2-CE1 3.54Å; T153-F177 HydrophobicContact CG2-CE2 3.7Å; T153-F177 HydrophobicContact CG2-CG 3.93Å; T153-F177 HydrophobicContact CG2-CZ 3.52Å; F177-I181 HydrophobicContact CB-CB 3.94Å; F177-I181 HydrophobicContact CB-CG2 4.09Å; F177-I181 PolarHBondContact N-O 2.86Å; F177-I183 HydrophobicContact CD2-CG2 4.25Å; F177-I183 HydrophobicContact CE2-CB 4.03Å; F177-I183 HydrophobicContact CE2-CG2 3.58Å
178	G	85.8	Confident	92.4	Very high	50 Å²	50	41.4 Å²	41.4	52%	0.515	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	-140.4	-172.5	0	0	0	0	0	112.3
179	Q	82.7	Confident	92.4	Very high	182 Å²	182	43 Å²	43	85%	0.85	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-30.2	-174.3	-65.9	-178.4	-4.1	0	0	113.7
180	N	88	Confident	92.5	Very high	47 Å²	47	43 Å²	43	25%	0.251	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-3.3	-164.8	-66.6	-7.6	0	0	0	113.7	F50 F51	F50-N180 CarbonylContact C-O 3.58Å; F50-N180 WeakPolarHBondContact CA-O 3.15Å; F51-N180 PolarHBondContact N-O 2.87Å
181	I	93	Very high	92.7	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	132	-176.4	-55.3	175.9	0	0	0	108.5	L48 R49 F50 L128 Y130 L144 I151 F177	L48-I181 HydrophobicContact CD2-CG2 4.46Å; R49-I181 WeakPolarHBondContact O-CA 3.37Å; F50-I181 HydrophobicContact CD1-CD1 3.87Å; F50-I181 HydrophobicContact CD1-CG1 3.77Å; F50-I181 HydrophobicContact CD1-CG2 4.33Å; F50-I181 HydrophobicContact CE1-CD1 3.87Å; F50-I181 HydrophobicContact CE1-CG1 4.17Å; F50-I181 HydrophobicContact CE1-CG2 4.21Å; L128-I181 HydrophobicContact CD2-CG2 3.8Å; Y130-I181 HydrophobicContact CD1-CD1 4.44Å; Y130-I181 HydrophobicContact CE1-CD1 3.55Å; Y130-I181 HydrophobicContact CE2-CD1 4.5Å; Y130-I181 WeakPolarHBondContact OH-CD1 3.42Å; L144-I181 HydrophobicContact CD2-CD1 4.1Å; L144-I181 HydrophobicContact CD2-CG1 4.39Å; I151-I181 HydrophobicContact CG2-CD1 4.35Å; F177-I181 HydrophobicContact CB-CB 3.94Å; F177-I181 HydrophobicContact CB-CG2 4.09Å; F177-I181 PolarHBondContact N-O 2.86Å
182	E	95	Very high	92.8	Very high	23 Å²	23	35.8 Å²	35.8	11%	0.107	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145.7	167.5	70.5	-178.2	-170.3	0	0	110.6	L48 R49 F51 I175 K176 L184	L48-E182 WeakPolarHBondContact CA-O 3.3Å; R49-E182 HydrophobicContact CB-CG 3.88Å; R49-E182 WeakPolarHBondContact CD-OE1 3.33Å; R49-E182 PolarHBondContact N-O 2.84Å; R49-E182 IonicContact NH1-OE1 3.69Å; R49-E182 PolarHBondContact NH1-OE1 3.13Å; R49-E182 VanDerWaalsContact NH1-OE1 3.1Å; R49-E182 PolarHBondContact O-N 2.89Å; F51-E182 HydrophobicContact CE2-CG 3.82Å; F51-E182 HydrophobicContact CZ-CG 4.29Å; I175-E182 WeakPolarHBondContact O-CA 3.25Å; K176-E182 HydrophobicContact CG-CB 4.46Å; E182-L184 HydrophobicContact CG-CG 4.49Å
183	I	95.7	Very high	92.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	139.3	165.6	-172.6	164.7	0	0	0	108	W46 K47 L48 L110 P174 I175 F177 F185	W46-I183 HydrophobicContact CB-CG1 4.47Å; W46-I183 HydrophobicContact CD2-CD1 4.15Å; W46-I183 HydrophobicContact CE3-CD1 3.12Å; W46-I183 HydrophobicContact CE3-CG1 3.67Å; W46-I183 HydrophobicContact CZ3-CD1 3.38Å; W46-I183 HydrophobicContact CZ3-CG1 4.29Å; K47-I183 WeakPolarHBondContact O-CA 3.44Å; L48-I183 HydrophobicContact CD2-CB 3.82Å; L48-I183 HydrophobicContact CD2-CD1 4.37Å; L48-I183 HydrophobicContact CD2-CG1 4.13Å; L110-I183 HydrophobicContact CD1-CD1 4.39Å; L110-I183 HydrophobicContact CD2-CD1 3.41Å; L110-I183 VanDerWaalsContact CD2-CD1 3.41Å; P174-I183 CarbonylContact C-O 3.58Å; P174-I183 WeakPolarHBondContact CA-O 3.29Å; I175-I183 HydrophobicContact CB-CG2 3.57Å; I175-I183 HydrophobicContact CG1-CG2 4.28Å; I175-I183 HydrophobicContact CG2-CG2 4.34Å; I175-I183 PolarHBondContact N-O 2.82Å; I175-I183 WeakPolarHBondContact O-CG2 3.36Å; I175-I183 PolarHBondContact O-N 2.87Å; F177-I183 HydrophobicContact CD2-CG2 4.25Å; F177-I183 HydrophobicContact CE2-CB 4.03Å; F177-I183 HydrophobicContact CE2-CG2 3.58Å; I183-F185 HydrophobicContact CB-CE2 4.29Å; I183-F185 HydrophobicContact CD1-CE1 3.72Å; I183-F185 HydrophobicContact CD1-CE2 3.77Å; I183-F185 HydrophobicContact CD1-CZ 3.26Å; I183-F185 HydrophobicContact CG1-CD2 4.29Å; I183-F185 HydrophobicContact CG1-CE1 4.22Å; I183-F185 HydrophobicContact CG1-CE2 3.83Å; I183-F185 HydrophobicContact CG1-CZ 3.8Å; I183-F185 HydrophobicContact CG2-CD2 4.11Å; I183-F185 HydrophobicContact CG2-CE2 3.45Å; I183-F185 VanDerWaalsContact CG2-CE2 3.45Å; I183-F185 HydrophobicContact CG2-CZ 4.07Å
184	L	94.7	Very high	92.6	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.016	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.6	177.1	-65	159.7	0	0	0	106.8	W46 K47 R49 E172 P174 E182	W46-L184 CarbonylContact C-O 3.57Å; W46-L184 WeakPolarHBondContact CA-O 3.02Å; W46-L184 WeakPolarHBondContact CB-O 3.37Å; K47-L184 HydrophobicContact CD-CD1 4.18Å; K47-L184 HydrophobicContact CG-CB 3.89Å; K47-L184 HydrophobicContact CG-CD1 3.95Å; K47-L184 HydrophobicContact CG-CG 4.48Å; K47-L184 PolarHBondContact N-O 3.07Å; K47-L184 VanDerWaalsContact N-O 3.09Å; K47-L184 PolarHBondContact O-N 2.76Å; R49-L184 HydrophobicContact CG-CD1 4.12Å; E172-L184 HydrophobicContact CG-CB 3.88Å; E172-L184 HydrophobicContact CG-CD2 3.87Å; E172-L184 HydrophobicContact CG-CG 4.38Å; P174-L184 HydrophobicContact CB-CD2 3.59Å; E182-L184 HydrophobicContact CG-CG 4.49Å
185	F	94.9	Very high	92.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	142.7	172.6	-62.7	-81.5	0	0	0	109.8	W44 Y45 W46 L110 L112 W123 M126 F159 E172 I173 I175 I183 M188	W44-F185 AromaticContact CD1-CD1 3.66Å; W44-F185 AromaticContact NE1-CD1 3.84Å; W44-F185 AromaticContact NE1-CE1 3.82Å; Y45-F185 CarbonylContact O-C 3.57Å; Y45-F185 WeakPolarHBondContact O-CA 3.29Å; W46-F185 HydrophobicContact CB-CD1 3.97Å; W46-F185 HydrophobicContact CB-CE1 4.24Å; L110-F185 HydrophobicContact CD2-CE1 4.43Å; L110-F185 HydrophobicContact CD2-CZ 4.08Å; L112-F185 HydrophobicContact CD2-CZ 4.28Å; W123-F185 HydrophobicContact CZ3-CD1 4.38Å; W123-F185 AromaticContact CZ3-CE1 3.91Å; W123-F185 HydrophobicContact CZ3-CE1 3.91Å; W123-F185 HydrophobicContact CZ3-CZ 4Å; M126-F185 HydrophobicContact CE-CE2 3.74Å; M126-F185 HydrophobicContact CE-CZ 4.07Å; M126-F185 HydrophobicContact SD-CE2 3.78Å; M126-F185 HydrophobicContact SD-CZ 3.93Å; F159-F185 HydrophobicContact CE2-CD2 4.17Å; F159-F185 HydrophobicContact CE2-CE2 4.43Å; F159-F185 HydrophobicContact CZ-CB 4.45Å; F159-F185 HydrophobicContact CZ-CD2 4.01Å; F159-F185 HydrophobicContact CZ-CG 4.45Å; E172-F185 CarbonylContact C-O 3.57Å; E172-F185 VanDerWaalsContact CA-O 3.29Å; E172-F185 WeakPolarHBondContact CA-O 3.11Å; I173-F185 PolarHBondContact N-O 2.85Å; I173-F185 PolarHBondContact O-N 2.79Å; I175-F185 HydrophobicContact CG1-CD2 4.01Å; I175-F185 HydrophobicContact CG1-CE2 4Å; I183-F185 HydrophobicContact CB-CE2 4.29Å; I183-F185 HydrophobicContact CD1-CE1 3.72Å; I183-F185 HydrophobicContact CD1-CE2 3.77Å; I183-F185 HydrophobicContact CD1-CZ 3.26Å; I183-F185 HydrophobicContact CG1-CD2 4.29Å; I183-F185 HydrophobicContact CG1-CE1 4.22Å; I183-F185 HydrophobicContact CG1-CE2 3.83Å; I183-F185 HydrophobicContact CG1-CZ 3.8Å; I183-F185 HydrophobicContact CG2-CD2 4.11Å; I183-F185 HydrophobicContact CG2-CE2 3.45Å; I183-F185 VanDerWaalsContact CG2-CE2 3.45Å; I183-F185 HydrophobicContact CG2-CZ 4.07Å; F185-M188 HydrophobicContact CB-CG 4.19Å; F185-M188 HydrophobicContact CB-SD 3.6Å; F185-M188 VanDerWaalsContact CB-SD 3.6Å; F185-M188 HydrophobicContact CG-SD 4.33Å
186	S	93.9	Very high	92.3	Very high	28 Å²	28	37 Å²	37	20%	0.196	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	158	177.6	59.6	0	0	0	0	111.6	Y45 M188	Y45-S186 WeakPolarHBondContact CB-OG 3.42Å; Y45-S186 PolarHBondContact N-O 2.78Å; Y45-S186 PolarHBondContact O-N 3.03Å; S186-M188 PolarHBondContact O-N 3.43Å
187	S	94.4	Very high	91.9	Very high	53 Å²	53	37.9 Å²	37.9	37%	0.371	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	49	47.8	178.8	-49.3	0	0	0	0	112.5	C169 D170	C169-S187 CarbonylContact O-C 3.53Å; C169-S187 VanDerWaalsContact O-CA 3.25Å; C169-S187 WeakPolarHBondContact O-CA 3.02Å; C169-S187 PolarHBondContact O-N 3.01Å; C169-S187 VanDerWaalsContact O-N 3.12Å; D170-S187 PolarHBondContact O-N 2.89Å
188	M	95.1	Very high	91.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	131.1	-179.5	-57.1	-179.5	67.4	0	0	110.4	E43 W44 W123 F159 Y167 V168 C169 F185 S186	E43-M188 CarbonylContact O-C 3.6Å; E43-M188 WeakPolarHBondContact O-CA 3.25Å; W44-M188 HydrophobicContact CB-CB 4.14Å; W44-M188 HydrophobicContact CB-CG 3.71Å; W123-M188 HydrophobicContact CH2-CE 3.6Å; W123-M188 HydrophobicContact CZ2-CE 3.89Å; W123-M188 HydrophobicContact CZ3-CE 3.95Å; F159-M188 HydrophobicContact CD1-CE 4.42Å; F159-M188 HydrophobicContact CD1-SD 4.32Å; F159-M188 HydrophobicContact CD2-CE 3.77Å; F159-M188 HydrophobicContact CE1-CE 4.33Å; F159-M188 HydrophobicContact CE1-SD 3.85Å; F159-M188 HydrophobicContact CE2-CE 3.7Å; F159-M188 HydrophobicContact CE2-SD 4.09Å; F159-M188 HydrophobicContact CG-CE 4.12Å; F159-M188 HydrophobicContact CZ-CE 3.98Å; F159-M188 HydrophobicContact CZ-SD 3.72Å; Y167-M188 HydrophobicContact CE1-CB 4.27Å; Y167-M188 HydrophobicContact CE1-CE 4.16Å; Y167-M188 HydrophobicContact CE1-SD 4.14Å; V168-M188 CarbonylContact C-O 3.58Å; V168-M188 WeakPolarHBondContact CA-O 3.27Å; C169-M188 HydrophobicContact CB-CB 4.28Å; C169-M188 PolarHBondContact N-O 3.39Å; C169-M188 PolarHBondContact O-N 2.83Å; F185-M188 HydrophobicContact CB-CG 4.19Å; F185-M188 HydrophobicContact CB-SD 3.6Å; F185-M188 VanDerWaalsContact CB-SD 3.6Å; F185-M188 HydrophobicContact CG-SD 4.33Å; S186-M188 PolarHBondContact O-N 3.43Å
189	T	95	Very high	91.7	Very high	51 Å²	51	43.6 Å²	43.6	31%	0.313	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	120.9	161	-60.4	0	0	0	0	107	G42 E43 V166 Y167 V168 I199	G42-T189 CarbonylContact C-O 3.52Å; G42-T189 WeakPolarHBondContact CA-O 3.21Å; E43-T189 PolarHBondContact N-O 3.23Å; E43-T189 PolarHBondContact O-N 3.5Å; V166-T189 HydrophobicContact CG1-CG2 3.71Å; Y167-T189 CarbonylContact O-C 3.5Å; Y167-T189 VanDerWaalsContact O-CA 3.3Å; Y167-T189 WeakPolarHBondContact O-CA 3.02Å; V168-T189 HydrophobicContact CG2-CG2 4.49Å; T189-I199 HydrophobicContact CG2-CD1 4.07Å
190	F	95	Very high	92	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	139.7	-170.9	-171.2	-95.2	0	0	0	113.1	V40 W44 I94 V114 F121 W123 Y167 A192	V40-F190 HydrophobicContact CG2-CD2 4.31Å; V40-F190 HydrophobicContact CG2-CE1 4.33Å; V40-F190 HydrophobicContact CG2-CE2 3.29Å; V40-F190 HydrophobicContact CG2-CZ 3.29Å; W44-F190 HydrophobicContact CE3-CD2 4.4Å; W44-F190 HydrophobicContact CH2-CE2 4.49Å; W44-F190 AromaticContact CZ3-CD2 3.82Å; W44-F190 HydrophobicContact CZ3-CD2 3.82Å; W44-F190 HydrophobicContact CZ3-CE2 4.1Å; I94-F190 HydrophobicContact CD1-CE2 4.12Å; I94-F190 HydrophobicContact CD1-CZ 4.15Å; V114-F190 HydrophobicContact CG1-CE1 4.24Å; V114-F190 HydrophobicContact CG2-CE1 4.32Å; V114-F190 HydrophobicContact CG2-CZ 3.94Å; F121-F190 HydrophobicContact CD2-CE1 4.29Å; F121-F190 AromaticContact CE2-CD1 3.63Å; F121-F190 HydrophobicContact CE2-CD1 3.63Å; F121-F190 AromaticContact CE2-CE1 3.83Å; F121-F190 HydrophobicContact CE2-CE1 3.83Å; F121-F190 HydrophobicContact CZ-CD1 4.08Å; F121-F190 HydrophobicContact CZ-CE1 4.48Å; W123-F190 HydrophobicContact CZ2-CD1 4.33Å; W123-F190 AromaticContact CZ2-CD2 3.64Å; W123-F190 HydrophobicContact CZ2-CD2 3.64Å; W123-F190 HydrophobicContact CZ2-CE1 4.42Å; W123-F190 AromaticContact CZ2-CE2 3.72Å; W123-F190 HydrophobicContact CZ2-CE2 3.72Å; W123-F190 AromaticContact CZ2-CG 3.95Å; W123-F190 HydrophobicContact CZ2-CG 3.95Å; W123-F190 HydrophobicContact CZ2-CZ 4.13Å; W123-F190 AromaticContact NE1-CD1 3.36Å; W123-F190 AromaticContact NE1-CE1 3.1Å; W123-F190 AromaticContact NE1-CE2 3.93Å; W123-F190 AromaticContact NE1-CG 3.87Å; W123-F190 AromaticContact NE1-CZ 3.41Å; Y167-F190 PolarHBondContact N-O 2.79Å; Y167-F190 PolarHBondContact O-N 2.88Å; F190-A192 HydrophobicContact CE1-CB 3.76Å; F190-A192 HydrophobicContact CZ-CB 4.29Å
191	Q	94.5	Very high	91.8	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.019	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	141	176.5	-62.3	174.7	84.7	0	0	109.2	V40 S41 V166 A195	V40-Q191 WeakPolarHBondContact CA-O 3.25Å; S41-Q191 PolarHBondContact N-O 2.75Å; S41-Q191 PolarHBondContact O-N 3.37Å; V166-Q191 HydrophobicContact CB-CG 4.17Å; V166-Q191 HydrophobicContact CG1-CG 3.9Å; V166-Q191 HydrophobicContact CG2-CG 3.78Å; Q191-A195 HydrophobicContact CB-CB 4.07Å
192	A	92.6	Very high	91.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.5	172.8	0	0	0	0	0	112.4	H39 I92 V114 F121 F190 K194	H39-A192 CarbonylContact O-C 3.55Å; H39-A192 VanDerWaalsContact O-CA 3.22Å; H39-A192 WeakPolarHBondContact O-CA 3.37Å; I92-A192 HydrophobicContact CD1-CB 4.44Å; V114-A192 HydrophobicContact CG1-CB 3.98Å; F121-A192 HydrophobicContact CD1-CB 4.16Å; F121-A192 HydrophobicContact CD2-CB 4.1Å; F121-A192 HydrophobicContact CE1-CB 4.4Å; F121-A192 HydrophobicContact CE2-CB 4.38Å; F121-A192 HydrophobicContact CG-CB 3.99Å; F190-A192 HydrophobicContact CE1-CB 3.76Å; F190-A192 HydrophobicContact CZ-CB 4.29Å; A192-K194 PolarHBondContact O-N 2.94Å
193	F	91.1	Very high	91.1	Very high	22 Å²	22	49.3 Å²	49.3	10%	0.096	26%	0.261	C	S	.	.	S	Bend	trans	64	-29.2	178	-53.6	-77.7	0	0	0	116.6	P38 H39 Q90 I92 V114 Q116 F121 T163	P38-F193 CarbonylContact O-C 3.37Å; H39-F193 PolarHBondContact O-N 2.87Å; Q90-F193 HydrophobicContact CB-CD1 3.95Å; Q90-F193 HydrophobicContact CB-CE1 3.46Å; Q90-F193 VanDerWaalsContact CB-CE1 3.46Å; Q90-F193 HydrophobicContact CB-CZ 4.34Å; I92-F193 HydrophobicContact CD1-CD1 3.87Å; I92-F193 HydrophobicContact CD1-CE1 3.51Å; I92-F193 HydrophobicContact CD1-CE2 4.26Å; I92-F193 HydrophobicContact CD1-CG 4.39Å; I92-F193 HydrophobicContact CD1-CZ 3.73Å; I92-F193 HydrophobicContact CG1-CD1 4.37Å; I92-F193 HydrophobicContact CG1-CE1 3.6Å; I92-F193 HydrophobicContact CG1-CZ 3.84Å; V114-F193 HydrophobicContact CG1-CE2 3.93Å; V114-F193 HydrophobicContact CG1-CZ 4.38Å; Q116-F193 HydrophobicContact CB-CD1 4.1Å; Q116-F193 HydrophobicContact CB-CD2 3.86Å; Q116-F193 HydrophobicContact CB-CE1 3.83Å; Q116-F193 HydrophobicContact CB-CE2 3.57Å; Q116-F193 HydrophobicContact CB-CG 4.11Å; Q116-F193 HydrophobicContact CB-CZ 3.56Å; Q116-F193 HydrophobicContact CG-CD2 4.17Å; Q116-F193 HydrophobicContact CG-CE2 4.36Å; Q116-F193 HydrophobicContact CG-CG 4.28Å; Q116-F193 VanDerWaalsContact OE1-CG 3.3Å; F121-F193 HydrophobicContact CB-CD2 3.74Å; F121-F193 HydrophobicContact CB-CE2 3.56Å; F121-F193 HydrophobicContact CG-CD2 4.36Å; F121-F193 HydrophobicContact CG-CE2 4.42Å; T163-F193 HydrophobicContact CG2-CB 4.24Å; T163-F193 HydrophobicContact CG2-CD2 4.33Å
194	K	90.1	Very high	90.9	Very high	106 Å²	106	54.7 Å²	54.7	46%	0.461	29%	0.289	S	S	.	.	S	Bend	trans	-130.1	42.7	170.3	-58	174	-177.5	159.3	0	110	T163 A192 R203	T163-K194 WeakPolarHBondContact O-CB 3.13Å; T163-K194 PolarHBondContact OG1-NZ 2.89Å; A192-K194 PolarHBondContact O-N 2.94Å; K194-R203 VanDerWaalsContact O-CZ 3.25Å; K194-R203 PolarHBondContact O-NH1 2.77Å; K194-R203 PolarHBondContact O-NH2 3.27Å
195	A	90.4	Very high	90.8	Very high	6 Å²	6	60.2 Å²	60.2	5%	0.05	32%	0.315	C	S	.	.			trans	-66.4	135.5	-178.3	0	0	0	0	0	110.6	L37 P38 Q191	L37-A195 HydrophobicContact CD2-CB 3.75Å; P38-A195 WeakPolarHBondContact O-CB 3.44Å; P38-A195 PolarHBondContact O-N 2.89Å; Q191-A195 HydrophobicContact CB-CB 4.07Å
196	E	90.4	Very high	90.6	Very high	47 Å²	47	64.1 Å²	64.1	22%	0.22	33%	0.333	C	S	.	.			trans	-112.8	147.1	176.7	-69.6	169.6	-160.5	0	0	109.8	R200 R203	E196-R200 IonicContact OE1-CZ 2.63Å; E196-R200 IonicContact OE1-NE 3.89Å; E196-R200 PolarHBondContact OE1-NE 2.84Å; E196-R200 IonicContact OE1-NH2 2.78Å; E196-R200 PolarHBondContact OE1-NH2 2.98Å; E196-R200 WeakPolarHBondContact OE2-CG 3.38Å; E196-R200 IonicContact OE2-CZ 3.33Å; E196-R200 IonicContact OE2-NE 3.99Å; E196-R200 PolarHBondContact OE2-NE 2.85Å; E196-R200 IonicContact OE2-NH2 3.03Å; E196-R203 IonicContact OE1-NH1 2.63Å; E196-R203 PolarHBondContact OE1-NH1 2.86Å; E196-R203 IonicContact OE2-NH1 3.87Å
197	E	85.6	Confident	90.3	Very high	165 Å²	165	65 Å²	65	77%	0.771	34%	0.338	S	S	*	.	S	Bend	trans	-63	-44.5	177.2	-169.8	175.1	-172.5	0	0	111.3	L37	L37-E197 HydrophobicContact CD1-CB 3.51Å; L37-E197 HydrophobicContact CD1-CG 4.15Å
198	T	87.7	Confident	89.8	Confident	111 Å²	111	62.6 Å²	62.6	68%	0.681	32%	0.321	S	S	*	.	S	Bend	trans	-117.5	117.2	174.7	-58.5	0	0	0	0	108.2	R200	T198-R200 PolarHBondContact O-N 2.81Å; T198-R200 VanDerWaalsContact O-N 3.15Å
199	I	86.8	Confident	89.2	Confident	60 Å²	60	67.9 Å²	67.9	31%	0.308	36%	0.355	S	S	.	.			trans	-62.6	116.5	176.1	-64.2	164.9	0	0	0	108.3	V166 T189 R203	V166-I199 HydrophobicContact CG1-CD1 3.98Å; V166-I199 HydrophobicContact CG2-CD1 4.13Å; V166-I199 HydrophobicContact CG2-CG1 4.18Å; V166-I199 HydrophobicContact CG2-CG2 3.78Å; T189-I199 HydrophobicContact CG2-CD1 4.07Å; I199-R203 HydrophobicContact CG2-CB 4.2Å
200	R	87.4	Confident	88.3	Confident	116 Å²	116	72.4 Å²	72.4	44%	0.438	37%	0.366	S	S	.	.			trans	-66.3	145.5	177.5	-62.8	175.7	-76.4	142.1	-9.8	111.2	E196 T198 D202 R203	E196-R200 IonicContact OE1-CZ 2.63Å; E196-R200 IonicContact OE1-NE 3.89Å; E196-R200 PolarHBondContact OE1-NE 2.84Å; E196-R200 IonicContact OE1-NH2 2.78Å; E196-R200 PolarHBondContact OE1-NH2 2.98Å; E196-R200 WeakPolarHBondContact OE2-CG 3.38Å; E196-R200 IonicContact OE2-CZ 3.33Å; E196-R200 IonicContact OE2-NE 3.99Å; E196-R200 PolarHBondContact OE2-NE 2.85Å; E196-R200 IonicContact OE2-NH2 3.03Å; T198-R200 PolarHBondContact O-N 2.81Å; T198-R200 VanDerWaalsContact O-N 3.15Å; R200-D202 WeakPolarHBondContact CB-OD1 3.14Å; R200-D202 IonicContact NH1-OD1 3.19Å; R200-D202 IonicContact NH1-OD2 2.92Å; R200-D202 PolarHBondContact NH1-OD2 2.79Å; R200-D202 PolarHBondContact O-N 2.8Å; R200-R203 VanDerWaalsContact O-CB 3.29Å; R200-R203 WeakPolarHBondContact O-CB 3.39Å; R200-R203 PolarHBondContact O-N 2.78Å
201	P	85.2	Confident	87.6	Confident	138 Å²	138	74.1 Å²	74.1	90%	0.896	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-23.7	-179.4	-23.4	33.7	0	0	0	114.9	R203	P201-R203 VanDerWaalsContact C-N 3.34Å
202	D	86.7	Confident	86.5	Confident	110 Å²	110	80.2 Å²	80.2	59%	0.588	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-10	176.6	62.5	-52.4	0	0	0	113.2	R200 L204	R200-D202 WeakPolarHBondContact CB-OD1 3.14Å; R200-D202 IonicContact NH1-OD1 3.19Å; R200-D202 IonicContact NH1-OD2 2.92Å; R200-D202 PolarHBondContact NH1-OD2 2.79Å; R200-D202 PolarHBondContact O-N 2.8Å; D202-L204 PolarHBondContact O-N 3.49Å
203	R	86.1	Confident	85.1	Confident	14 Å²	14	89.1 Å²	89.1	5%	0.053	44%	0.44	C	S	.	.	S	Bend	trans	-73.2	122.3	179.2	-163.9	165.3	-175.5	159.6	-8.4	110	T163 D164 V166 K194 E196 I199 R200 P201	T163-R203 PolarHBondContact O-NH2 2.88Å; D164-R203 VanDerWaalsContact O-CG 3.32Å; D164-R203 WeakPolarHBondContact O-CG 3.33Å; D164-R203 PolarHBondContact O-NE 3.31Å; V166-R203 HydrophobicContact CG2-CG 4.04Å; K194-R203 VanDerWaalsContact O-CZ 3.25Å; K194-R203 PolarHBondContact O-NH1 2.77Å; K194-R203 PolarHBondContact O-NH2 3.27Å; E196-R203 IonicContact OE1-NH1 2.63Å; E196-R203 PolarHBondContact OE1-NH1 2.86Å; E196-R203 IonicContact OE2-NH1 3.87Å; I199-R203 HydrophobicContact CG2-CB 4.2Å; R200-R203 VanDerWaalsContact O-CB 3.29Å; R200-R203 WeakPolarHBondContact O-CB 3.39Å; R200-R203 PolarHBondContact O-N 2.78Å; P201-R203 VanDerWaalsContact C-N 3.34Å
204	L	91.9	Very high	83.3	Confident	113 Å²	113	92.2 Å²	92.2	59%	0.592	47%	0.465	S	S	*	.			trans	-67.1	148	-179.2	-64.2	175.8	0	0	0	110.8	E165 V166 D202	E165-L204 WeakPolarHBondContact CA-O 3.11Å; E165-L204 HydrophobicContact CG-CB 4.01Å; V166-L204 PolarHBondContact N-O 2.91Å; D202-L204 PolarHBondContact O-N 3.49Å
205	Q	92.3	Very high	81.4	Confident	119 Å²	119	94.6 Å²	94.6	56%	0.556	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.7	177.5	-60.2	-178.6	18	0	0	108.9	V166 V168	V166-Q205 HydrophobicContact CB-CG 4.34Å; V166-Q205 CarbonylContact O-C 3.58Å; V166-Q205 VanDerWaalsContact O-CA 3.28Å; V166-Q205 WeakPolarHBondContact O-CA 3.25Å; V168-Q205 HydrophobicContact CG2-CB 4.21Å; V168-Q205 HydrophobicContact CG2-CG 4.32Å
206	E	89.7	Confident	79.6	Confident	82 Å²	82	99.3 Å²	99.3	38%	0.383	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	108.5	168.8	-179	67.8	176.1	0	0	107.9	T161 V166 V168	T161-E206 HydrophobicContact CG2-CB 3.64Å; T161-E206 HydrophobicContact CG2-CG 4.3Å; V166-E206 PolarHBondContact O-N 3.04Å; V168-E206 PolarHBondContact N-O 3.34Å
207	V	87.6	Confident	77.2	Confident	48 Å²	48	101.3 Å²	101.3	29%	0.291	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	136.5	178.1	179.5	0	0	0	0	109	V168 D211 F212	V168-V207 CarbonylContact O-C 3.52Å; V168-V207 WeakPolarHBondContact O-CA 3.49Å; V207-D211 HydrophobicContact CG1-CB 3.68Å; V207-F212 HydrophobicContact CB-CE2 4.36Å; V207-F212 HydrophobicContact CB-CZ 4.43Å; V207-F212 WeakPolarHBondContact O-CE2 3.46Å
208	C	85.1	Confident	75.5	Confident	2 Å²	2	100.3 Å²	100.3	1%	0.014	52%	0.521	C	S	.	.			trans	-64.8	147.3	-179.5	74.1	0	0	0	0	112.4	Y167 V168 C169 R210 D211 F212	Y167-C208 HydrophobicContact CE2-CB 3.89Å; Y167-C208 WeakPolarHBondContact OH-CB 3.28Å; V168-C208 PolarHBondContact O-N 3.36Å; C169-C208 VanDerWaalsContact CA-SG 3.54Å; C169-C208 HydrophobicContact CB-CB 3.54Å; C169-C208 WeakPolarHBondContact CB-SG 3.48Å; C169-C208 WeakPolarHBondContact SG-CB 3.34Å; C169-C208 CovalentContact SG-SG 2.05Å; C169-C208 PolarHBondContact SG-SG 2.95Å; C208-R210 PolarHBondContact O-N 2.88Å; C208-D211 PolarHBondContact O-N 2.86Å; C208-D211 PolarHBondContact SG-OD2 3.13Å; C208-F212 WeakPolarHBondContact O-CD2 3.45Å
209	P	81.6	Confident	73.4	Confident	110 Å²	110	99.1 Å²	99.1	71%	0.714	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-29.8	-177.6	-33.5	37.5	0	0	0	115.9
210	R	77.1	Confident	71.4	Confident	147 Å²	147	99.4 Å²	99.4	56%	0.555	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-25.6	-178	-67.2	-161.7	-174.6	-172.5	-7	114.1	T171 E172 I173 C208 F212	T171-R210 HydrophobicContact CG2-CB 3.93Å; E172-R210 PolarHBondContact O-NH1 3.43Å; I173-R210 HydrophobicContact CD1-CB 4.43Å; I173-R210 VanDerWaalsContact CD1-CD 3.49Å; I173-R210 HydrophobicContact CD1-CG 4.11Å; C208-R210 PolarHBondContact O-N 2.88Å; R210-F212 VanDerWaalsContact C-N 3.35Å
211	D	80.3	Confident	69.2	Low	36 Å²	36	97.4 Å²	97.4	19%	0.193	53%	0.532	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-6	179.5	-73.2	-35.9	0	0	0	113.1	C169 D170 T171 V207 C208 K213	C169-D211 WeakPolarHBondContact CA-OD2 3.29Å; D170-D211 PolarHBondContact N-OD2 2.74Å; T171-D211 WeakPolarHBondContact CB-OD1 3.14Å; T171-D211 PolarHBondContact N-OD1 3.26Å; T171-D211 VanDerWaalsContact N-OD1 3.12Å; T171-D211 PolarHBondContact N-OD2 3.01Å; T171-D211 VanDerWaalsContact N-OD2 3.13Å; T171-D211 PolarHBondContact OG1-OD1 2.8Å; V207-D211 HydrophobicContact CG1-CB 3.68Å; C208-D211 PolarHBondContact O-N 2.86Å; C208-D211 PolarHBondContact SG-OD2 3.13Å; D211-K213 VanDerWaalsContact C-N 3.32Å; D211-K213 PolarHBondContact O-N 3.12Å
212	F	71.5	Confident	67.4	Low	133 Å²	133	96.7 Å²	96.7	58%	0.583	53%	0.525	S	S	*	.			trans	-65.4	94.8	170.8	-79	-85.2	0	0	0	110.3	V207 C208 R210 S214	V207-F212 HydrophobicContact CB-CE2 4.36Å; V207-F212 HydrophobicContact CB-CZ 4.43Å; V207-F212 WeakPolarHBondContact O-CE2 3.46Å; C208-F212 WeakPolarHBondContact O-CD2 3.45Å; R210-F212 VanDerWaalsContact C-N 3.35Å; F212-S214 VanDerWaalsContact C-N 3.35Å; F212-S214 PolarHBondContact O-N 3.05Å
213	K	62.6	Low	65.2	Low	186 Å²	186	94.9 Å²	94.9	81%	0.809	53%	0.533	S	S	*	.			trans	-70.6	94.8	161.8	-65.3	178.5	-175	172.5	0	107.1	D211 N215	D211-K213 VanDerWaalsContact C-N 3.32Å; D211-K213 PolarHBondContact O-N 3.12Å; K213-N215 PolarHBondContact O-N 2.95Å
214	S	53.5	Low	63.2	Low	88 Å²	88	100.6 Å²	100.6	62%	0.615	57%	0.569	S	S	*	*			trans	-63.8	107.4	166.6	68.6	0	0	0	0	107.6	F212 I216	F212-S214 VanDerWaalsContact C-N 3.35Å; F212-S214 PolarHBondContact O-N 3.05Å; S214-I216 PolarHBondContact O-N 3.41Å
215	N	49	Very low	61.2	Low	156 Å²	156	96.7 Å²	96.7	83%	0.834	55%	0.551	S	S	*	*			trans	-69	21.6	169.3	-80	-20.5	0	0	0	112.4	K213 P217	K213-N215 PolarHBondContact O-N 2.95Å; N215-P217 WeakPolarHBondContact O-CD 3.36Å
216	I	52.6	Low	58.9	Low	105 Å²	105	96.9 Å²	96.9	54%	0.538	56%	0.555	S	S	.	*			trans	-76.8	110.1	175.8	-56.3	174.2	0	0	0	106	S214 I218 L221	S214-I216 PolarHBondContact O-N 3.41Å; I216-I218 PolarHBondContact O-N 3.03Å; I216-L221 HydrophobicContact CG2-CD1 4.22Å
217	P	41.7	Very low	57	Low	88 Å²	88	99.2 Å²	99.2	57%	0.571	57%	0.569	S	S	*	*			trans	-60	115.9	176.5	24.2	-31.7	0	0	0	108.4	N215 A219 A220	N215-P217 WeakPolarHBondContact O-CD 3.36Å; P217-A219 PolarHBondContact O-N 2.93Å; P217-A220 HydrophobicContact CG-CB 4.42Å; P217-A220 WeakPolarHBondContact O-CB 3.43Å; P217-A220 PolarHBondContact O-N 2.81Å
218	I	48.2	Very low	55.3	Low	144 Å²	144	100.9 Å²	100.9	74%	0.738	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-57.7	-23	-179.9	-61.2	166	0	0	0	111	I216 A220 L221	I216-I218 PolarHBondContact O-N 3.03Å; I218-A220 PolarHBondContact O-N 2.86Å; I218-L221 PolarHBondContact O-N 2.83Å
219	A	45.4	Very low	53.7	Low	86 Å²	86	103.3 Å²	103.3	71%	0.711	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-61	-20.4	172.5	0	0	0	0	0	114.3	P217 T222	P217-A219 PolarHBondContact O-N 2.93Å; A219-T222 PolarHBondContact O-OG1 2.71Å
220	A	44	Very low	52.4	Low	66 Å²	66	101.7 Å²	101.7	55%	0.545	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-85.7	-7.1	174.4	0	0	0	0	0	113.5	P217 I218 S225	P217-A220 HydrophobicContact CG-CB 4.42Å; P217-A220 WeakPolarHBondContact O-CB 3.43Å; P217-A220 PolarHBondContact O-N 2.81Å; I218-A220 PolarHBondContact O-N 2.86Å; A220-S225 PolarHBondContact O-OG 2.96Å
221	L	41.9	Very low	51.3	Low	75 Å²	75	99.6 Å²	99.6	39%	0.393	58%	0.581	S	S	.	*	S	Bend	trans	-89.3	-8.1	179.6	-111.2	82.4	0	0	0	114.3	I216 I218 G223	I216-L221 HydrophobicContact CG2-CD1 4.22Å; I218-L221 PolarHBondContact O-N 2.83Å; L221-G223 PolarHBondContact O-N 2.8Å
222	T	46.8	Very low	50	Low	123 Å²	123	102.3 Å²	102.3	76%	0.755	60%	0.595	S	S	*	*	S	Bend	trans	-86.9	87.6	177.8	57.1	0	0	0	0	110.2	A219	A219-T222 PolarHBondContact O-OG1 2.71Å
223	G	40.8	Very low	49.2	Very low	72 Å²	72	100.4 Å²	100.4	74%	0.742	59%	0.59	S	S	*	*	S	Bend	trans	145.8	-34.1	150.3	0	0	0	0	0	116.9	L221	L221-G223 PolarHBondContact O-N 2.8Å
224	V	44.5	Very low	48.8	Very low	134 Å²	134	97 Å²	97	81%	0.812	58%	0.579	S	S	*	*	S	Bend	trans	-130.8	-18	-173.2	-165.9	0	0	0	0	113.6
225	S	48.6	Very low	48.7	Very low	30 Å²	30	94.9 Å²	94.9	21%	0.21	57%	0.565	C	S	.	*	S	Bend	trans	-94.8	-8.8	-171.3	51.2	0	0	0	0	115.6	A220 L227 V228 V229	A220-S225 PolarHBondContact O-OG 2.96Å; S225-L227 PolarHBondContact O-N 2.83Å; S225-V228 PolarHBondContact O-N 3.45Å; S225-V229 WeakPolarHBondContact O-CG2 3.29Å; S225-V229 PolarHBondContact O-N 2.76Å
226	L	45.3	Very low	49	Very low	124 Å²	124	91.9 Å²	91.9	65%	0.649	55%	0.548	S	S	*	.	H	α-helix	trans	-59.9	-31.9	179.8	-128.3	154.4	0	0	0	111.9	V230	L226-V230 WeakPolarHBondContact O-CG2 3.34Å; L226-V230 PolarHBondContact O-N 3.37Å
227	L	49.1	Very low	49.1	Very low	130 Å²	130	94 Å²	94	68%	0.681	55%	0.553	S	S	*	*	H	α-helix	trans	-71.2	-37.3	175.2	-134.5	154.3	0	0	0	112	S225 I231	S225-L227 PolarHBondContact O-N 2.83Å; L227-I231 HydrophobicContact CD2-CD1 3.85Å; L227-I231 HydrophobicContact CD2-CG1 4.5Å; L227-I231 WeakPolarHBondContact O-CG1 3.36Å; L227-I231 PolarHBondContact O-N 3.18Å
228	V	51.8	Low	49.8	Very low	83 Å²	83	91.6 Å²	91.6	50%	0.503	54%	0.544	S	S	.	.	H	α-helix	trans	-71	-37.7	178.1	-175.3	0	0	0	0	111.2	S225 I231 L232	S225-V228 PolarHBondContact O-N 3.45Å; V228-I231 PolarHBondContact O-N 3.01Å; V228-L232 HydrophobicContact CG1-CD1 4.14Å; V228-L232 WeakPolarHBondContact O-CB 3.23Å; V228-L232 PolarHBondContact O-N 2.65Å
229	V	51.3	Low	50.2	Low	54 Å²	54	89.3 Å²	89.3	33%	0.327	53%	0.532	S	S	.	.	H	α-helix	trans	-66.4	-41.1	178	175.4	0	0	0	0	111.1	S225 I231 L232 I233	S225-V229 WeakPolarHBondContact O-CG2 3.29Å; S225-V229 PolarHBondContact O-N 2.76Å; V229-I231 VanDerWaalsContact C-N 3.35Å; V229-I231 PolarHBondContact O-N 3.14Å; V229-L232 PolarHBondContact O-N 2.74Å; V229-I233 HydrophobicContact CG1-CD1 3.64Å; V229-I233 HydrophobicContact CG1-CG1 4.22Å; V229-I233 WeakPolarHBondContact O-CB 3.3Å; V229-I233 VanDerWaalsContact O-CG1 3.27Å; V229-I233 WeakPolarHBondContact O-CG1 3.31Å; V229-I233 PolarHBondContact O-N 3.04Å
230	V	53.6	Low	50.6	Low	75 Å²	75	89.8 Å²	89.8	46%	0.455	52%	0.523	S	S	.	.	H	α-helix	trans	-64.1	-41.5	175.6	174.5	0	0	0	0	110.9	L226 L232 I233 I234	L226-V230 WeakPolarHBondContact O-CG2 3.34Å; L226-V230 PolarHBondContact O-N 3.37Å; V230-L232 PolarHBondContact O-N 2.84Å; V230-I233 PolarHBondContact O-N 3.2Å; V230-I234 HydrophobicContact CG1-CD1 3.64Å; V230-I234 HydrophobicContact CG1-CG1 4.39Å; V230-I234 WeakPolarHBondContact O-CB 3.22Å; V230-I234 WeakPolarHBondContact O-CD1 3.43Å; V230-I234 WeakPolarHBondContact O-CG1 3.44Å; V230-I234 PolarHBondContact O-N 3.12Å
231	I	54.8	Low	51.2	Low	104 Å²	104	89.6 Å²	89.6	53%	0.533	52%	0.522	S	S	.	.	H	α-helix	trans	-63.8	-42.4	176.1	-66.2	167.6	0	0	0	111.1	L227 V228 V229 I234 S235	L227-I231 HydrophobicContact CD2-CD1 3.85Å; L227-I231 HydrophobicContact CD2-CG1 4.5Å; L227-I231 WeakPolarHBondContact O-CG1 3.36Å; L227-I231 PolarHBondContact O-N 3.18Å; V228-I231 PolarHBondContact O-N 3.01Å; V229-I231 VanDerWaalsContact C-N 3.35Å; V229-I231 PolarHBondContact O-N 3.14Å; I231-I234 PolarHBondContact O-N 2.68Å; I231-S235 WeakPolarHBondContact O-CB 3.43Å; I231-S235 PolarHBondContact O-N 3.15Å; I231-S235 PolarHBondContact O-OG 3.33Å
232	L	52.8	Low	52.1	Low	93 Å²	93	93.2 Å²	93.2	49%	0.487	53%	0.531	S	S	.	.	H	α-helix	trans	-67.3	-42.9	179	-88.9	165.9	0	0	0	112.4	V228 V229 V230 I234 S235 I236	V228-L232 HydrophobicContact CG1-CD1 4.14Å; V228-L232 WeakPolarHBondContact O-CB 3.23Å; V228-L232 PolarHBondContact O-N 2.65Å; V229-L232 PolarHBondContact O-N 2.74Å; V230-L232 PolarHBondContact O-N 2.84Å; L232-I234 PolarHBondContact O-N 2.92Å; L232-S235 WeakPolarHBondContact CA-OG 3.32Å; L232-S235 PolarHBondContact O-N 3.21Å; L232-S235 VanDerWaalsContact O-N 3.12Å; L232-S235 PolarHBondContact O-OG 3.22Å; L232-I236 WeakPolarHBondContact O-CG1 3.5Å; L232-I236 PolarHBondContact O-N 3.01Å
233	I	54.9	Low	52.7	Low	92 Å²	92	91.2 Å²	91.2	47%	0.472	52%	0.515	S	S	.	.	H	α-helix	trans	-63.5	-43.6	177.7	-67.6	171	0	0	0	110.4	V229 V230 S235 I236 F237	V229-I233 HydrophobicContact CG1-CD1 3.64Å; V229-I233 HydrophobicContact CG1-CG1 4.22Å; V229-I233 WeakPolarHBondContact O-CB 3.3Å; V229-I233 VanDerWaalsContact O-CG1 3.27Å; V229-I233 WeakPolarHBondContact O-CG1 3.31Å; V229-I233 PolarHBondContact O-N 3.04Å; V230-I233 PolarHBondContact O-N 3.2Å; I233-S235 VanDerWaalsContact C-N 3.26Å; I233-S235 PolarHBondContact O-N 3.37Å; I233-I236 PolarHBondContact O-N 3.03Å; I233-F237 HydrophobicContact CG2-CD2 3.98Å; I233-F237 WeakPolarHBondContact O-CB 3.41Å; I233-F237 PolarHBondContact O-N 2.8Å
234	I	53.5	Low	53.5	Low	114 Å²	114	90.5 Å²	90.5	59%	0.585	50%	0.503	S	S	*	.	H	α-helix	trans	-64.3	-35	175.8	-61.4	164.2	0	0	0	110.4	V230 I231 L232 G238	V230-I234 HydrophobicContact CG1-CD1 3.64Å; V230-I234 HydrophobicContact CG1-CG1 4.39Å; V230-I234 WeakPolarHBondContact O-CB 3.22Å; V230-I234 WeakPolarHBondContact O-CD1 3.43Å; V230-I234 WeakPolarHBondContact O-CG1 3.44Å; V230-I234 PolarHBondContact O-N 3.12Å; I231-I234 PolarHBondContact O-N 2.68Å; L232-I234 PolarHBondContact O-N 2.92Å; I234-G238 WeakPolarHBondContact O-CA 3.16Å; I234-G238 PolarHBondContact O-N 3.19Å
235	S	52.6	Low	54.1	Low	45 Å²	45	89.9 Å²	89.9	32%	0.315	49%	0.49	S	S	.	.	H	α-helix	trans	-70	-42.4	176.4	71.7	0	0	0	0	112.7	I231 L232 I233 I239	I231-S235 WeakPolarHBondContact O-CB 3.43Å; I231-S235 PolarHBondContact O-N 3.15Å; I231-S235 PolarHBondContact O-OG 3.33Å; L232-S235 WeakPolarHBondContact CA-OG 3.32Å; L232-S235 PolarHBondContact O-N 3.21Å; L232-S235 VanDerWaalsContact O-N 3.12Å; L232-S235 PolarHBondContact O-OG 3.22Å; I233-S235 VanDerWaalsContact C-N 3.26Å; I233-S235 PolarHBondContact O-N 3.37Å; S235-I239 WeakPolarHBondContact O-CB 3.29Å; S235-I239 VanDerWaalsContact O-CD1 3.25Å; S235-I239 WeakPolarHBondContact O-CD1 3.43Å; S235-I239 WeakPolarHBondContact O-CG1 3.31Å; S235-I239 PolarHBondContact O-N 2.99Å
236	I	55.1	Low	54.6	Low	93 Å²	93	94.9 Å²	94.9	48%	0.477	51%	0.505	S	S	.	.	H	α-helix	trans	-73.1	-47	-179	-64	168.3	0	0	0	110.7	L232 I233 N240	L232-I236 WeakPolarHBondContact O-CG1 3.5Å; L232-I236 PolarHBondContact O-N 3.01Å; I233-I236 PolarHBondContact O-N 3.03Å; I236-N240 VanDerWaalsContact O-CB 3.29Å; I236-N240 WeakPolarHBondContact O-CB 3.5Å; I236-N240 PolarHBondContact O-N 3.29Å
237	F	55.5	Low	54.9	Low	150 Å²	150	96.3 Å²	96.3	66%	0.658	51%	0.505	S	S	*	.	H	α-helix	trans	-69.3	-37.4	176.1	-90.5	-85.9	0	0	0	112	I233 N240 A241	I233-F237 HydrophobicContact CG2-CD2 3.98Å; I233-F237 WeakPolarHBondContact O-CB 3.41Å; I233-F237 PolarHBondContact O-N 2.8Å; F237-N240 PolarHBondContact O-N 3.09Å; F237-A241 WeakPolarHBondContact O-CB 3.47Å; F237-A241 PolarHBondContact O-N 3.4Å
238	G	54.8	Low	55.2	Low	37 Å²	37	100.5 Å²	100.5	38%	0.381	51%	0.512	S	S	.	.	H	α-helix	trans	-64.7	-43.1	175.6	0	0	0	0	0	112	I234 Y242	I234-G238 WeakPolarHBondContact O-CA 3.16Å; I234-G238 PolarHBondContact O-N 3.19Å; G238-Y242 WeakPolarHBondContact O-CB 3.37Å; G238-Y242 PolarHBondContact O-N 3.41Å
239	I	57	Low	55.3	Low	96 Å²	96	104.4 Å²	104.4	49%	0.492	52%	0.522	S	S	.	.	H	α-helix	trans	-67.8	-44.8	175.6	-69.3	164.6	0	0	0	110.3	S235 Y242 L243	S235-I239 WeakPolarHBondContact O-CB 3.29Å; S235-I239 VanDerWaalsContact O-CD1 3.25Å; S235-I239 WeakPolarHBondContact O-CD1 3.43Å; S235-I239 WeakPolarHBondContact O-CG1 3.31Å; S235-I239 PolarHBondContact O-N 2.99Å; I239-Y242 PolarHBondContact O-N 3.03Å; I239-L243 HydrophobicContact CG2-CD1 3.6Å; I239-L243 HydrophobicContact CG2-CG 4.09Å; I239-L243 VanDerWaalsContact O-CB 3.25Å; I239-L243 WeakPolarHBondContact O-CB 3.48Å; I239-L243 WeakPolarHBondContact O-CG 3.31Å; I239-L243 PolarHBondContact O-N 3.3Å
240	N	54.7	Low	55.4	Low	95 Å²	95	108.7 Å²	108.7	51%	0.508	54%	0.539	S	S	.	.	H	α-helix	trans	-66.6	-41	178.9	-75.4	-15.3	0	0	0	112.2	I236 F237 A244	I236-N240 VanDerWaalsContact O-CB 3.29Å; I236-N240 WeakPolarHBondContact O-CB 3.5Å; I236-N240 PolarHBondContact O-N 3.29Å; F237-N240 PolarHBondContact O-N 3.09Å; N240-A244 WeakPolarHBondContact O-CB 3.32Å; N240-A244 PolarHBondContact O-N 2.98Å
241	A	56.3	Low	54.8	Low	63 Å²	63	115.7 Å²	115.7	52%	0.521	57%	0.566	S	S	.	*	H	α-helix	trans	-66.7	-39.7	173.9	0	0	0	0	0	111.7	F237 H245	F237-A241 WeakPolarHBondContact O-CB 3.47Å; F237-A241 PolarHBondContact O-N 3.4Å; A241-H245 WeakPolarHBondContact O-CB 3.04Å; A241-H245 PolarHBondContact O-N 2.88Å
242	Y	61	Low	54.8	Low	151 Å²	151	116.3 Å²	116.3	59%	0.592	57%	0.568	S	S	*	*	H	α-helix	trans	-67.5	-41.8	176.3	-178.9	-102.2	0	0	0	112	G238 I239 H245 R246	G238-Y242 WeakPolarHBondContact O-CB 3.37Å; G238-Y242 PolarHBondContact O-N 3.41Å; I239-Y242 PolarHBondContact O-N 3.03Å; Y242-H245 PolarHBondContact O-N 3.48Å; Y242-R246 VanDerWaalsContact O-CB 3.27Å; Y242-R246 WeakPolarHBondContact O-CB 3.28Å; Y242-R246 PolarHBondContact O-N 3.32Å
243	L	58.4	Low	54.9	Low	81 Å²	81	117.5 Å²	117.5	42%	0.424	57%	0.572	S	S	.	*	H	α-helix	trans	-65.8	-44	175	-73.7	172.8	0	0	0	111	I239 H245 R246 K247	I239-L243 HydrophobicContact CG2-CD1 3.6Å; I239-L243 HydrophobicContact CG2-CG 4.09Å; I239-L243 VanDerWaalsContact O-CB 3.25Å; I239-L243 WeakPolarHBondContact O-CB 3.48Å; I239-L243 WeakPolarHBondContact O-CG 3.31Å; I239-L243 PolarHBondContact O-N 3.3Å; L243-H245 PolarHBondContact O-N 3.44Å; L243-R246 PolarHBondContact O-N 3.21Å; L243-K247 WeakPolarHBondContact O-CB 3.34Å; L243-K247 WeakPolarHBondContact O-CG 3.3Å; L243-K247 PolarHBondContact O-N 3.05Å
244	A	57.2	Low	54.9	Low	57 Å²	57	118.9 Å²	118.9	47%	0.471	58%	0.578	S	S	.	*	H	α-helix	trans	-61.9	-42.7	174.6	0	0	0	0	0	111.8	N240 R248	N240-A244 WeakPolarHBondContact O-CB 3.32Å; N240-A244 PolarHBondContact O-N 2.98Å; A244-R248 PolarHBondContact O-N 3.44Å
245	H	58.4	Low	55	Low	120 Å²	120	119.2 Å²	119.2	56%	0.556	58%	0.578	S	S	*	*	H	α-helix	trans	-70.8	-34.9	178.7	-165.2	-51.4	0	0	0	112.5	A241 Y242 L243	A241-H245 WeakPolarHBondContact O-CB 3.04Å; A241-H245 PolarHBondContact O-N 2.88Å; Y242-H245 PolarHBondContact O-N 3.48Å; L243-H245 PolarHBondContact O-N 3.44Å
246	R	58.1	Low	55.2	Low	136 Å²	136	123.9 Å²	123.9	51%	0.513	59%	0.594	S	S	.	*	H	α-helix	trans	-72.2	-41.3	176.3	-170	179	178.2	-173.5	0.8	111.5	Y242 L243 R248 K249 Q250	Y242-R246 VanDerWaalsContact O-CB 3.27Å; Y242-R246 WeakPolarHBondContact O-CB 3.28Å; Y242-R246 PolarHBondContact O-N 3.32Å; L243-R246 PolarHBondContact O-N 3.21Å; R246-R248 VanDerWaalsContact C-N 3.28Å; R246-R248 PolarHBondContact O-N 2.93Å; R246-K249 PolarHBondContact O-N 2.82Å; R246-Q250 PolarHBondContact O-N 3.2Å
247	K	52.1	Low	55.2	Low	153 Å²	153	125.9 Å²	125.9	67%	0.665	60%	0.602	S	S	*	*	H	α-helix	trans	-62.5	-33.3	177.2	-76.8	-173.3	175	-168.1	0	112.3	L243 K249	L243-K247 WeakPolarHBondContact O-CB 3.34Å; L243-K247 WeakPolarHBondContact O-CG 3.3Å; L243-K247 PolarHBondContact O-N 3.05Å; K247-K249 VanDerWaalsContact C-N 3.28Å; K247-K249 PolarHBondContact O-N 2.97Å
248	R	56	Low	55.1	Low	218 Å²	218	124.2 Å²	124.2	82%	0.823	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-16.4	171.7	-80.8	-171.7	-178.5	-177.8	1.3	115.8	A244 R246	A244-R248 PolarHBondContact O-N 3.44Å; R246-R248 VanDerWaalsContact C-N 3.28Å; R246-R248 PolarHBondContact O-N 2.93Å
249	K	52.9	Low	55.2	Low	165 Å²	165	130.9 Å²	130.9	72%	0.717	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	-11.3	179.9	-82.6	-170.6	172.5	-179.8	0	113.8	R246 K247	R246-K249 PolarHBondContact O-N 2.82Å; K247-K249 VanDerWaalsContact C-N 3.28Å; K247-K249 PolarHBondContact O-N 2.97Å
250	Q	53.3	Low	55	Low	144 Å²	144	133.8 Å²	133.8	67%	0.673	63%	0.625	S	S	*	*			trans	-97	-2.9	178.7	-72.9	-169.8	-48.1	0	0	113.6	R246	R246-Q250 PolarHBondContact O-N 3.2Å
251	H	41.9	Very low	55.1	Low	223 Å²	223	137.4 Å²	137.4	100%	1.032	64%	0.635	S	S	*	*			trans	-118	0	168.4	-72	-75.4	0	0	0	109.2

Retrieved 251 of 251 residues in 122.3 ms (Link to these results)

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