A0A077ZB09_TRITR Loading...

Bardet-Biedl syndrome 7 protein

AlphaFold DB , UniProt , Accession A0A077ZB09, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 684 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	47.7	Very low	78.4	Confident	205 Å²	205	134.6 Å²	134.6	100%	1.01	69%	0.686	S	S	*	*				0	145.3	0	-86.2	-173.7	175	0	0	108.4
2	P	59.2	Low	79.2	Confident	101 Å²	101	128.6 Å²	128.6	66%	0.656	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-63.5	137.4	170.3	27.8	-32.2	0	0	0	109.6	Q4	P2-Q4 PolarHBondContact O-N 3.12Å
3	L	65.6	Low	80	Confident	94 Å²	94	126.5 Å²	126.5	49%	0.492	68%	0.681	S	S	.	*	P	Polyproline II helix	trans	-58.1	132.1	171.5	-74.1	161	0	0	0	109.2	V5 L279	L3-V5 PolarHBondContact O-N 3.06Å; L3-L279 HydrophobicContact CD1-CD1 4.11Å
4	Q	70.3	Confident	80.6	Confident	187 Å²	187	128.6 Å²	128.6	87%	0.874	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-77.1	119.9	175.7	-174.8	175.6	-5.4	0	0	109.2	P2 E6	P2-Q4 PolarHBondContact O-N 3.12Å; Q4-E6 PolarHBondContact O-N 3.15Å
5	V	80.9	Confident	81.5	Confident	112 Å²	112	125.9 Å²	125.9	68%	0.679	66%	0.659	S	S	*	*			trans	-72	110.3	174.7	180	0	0	0	0	108.8	L3 F7 K8	L3-V5 PolarHBondContact O-N 3.06Å; V5-F7 WeakPolarHBondContact CG1-O 3.17Å; V5-K8 HydrophobicContact CG1-CB 4.36Å
6	E	85.5	Confident	82.1	Confident	139 Å²	139	121.2 Å²	121.2	65%	0.65	64%	0.635	S	S	*	*			trans	-71.9	-44.9	176	-175	169.8	179.7	0	0	111.4	Q4	Q4-E6 PolarHBondContact O-N 3.15Å
7	F	91.8	Very high	82.8	Confident	72 Å²	72	114.8 Å²	114.8	32%	0.316	60%	0.603	S	S	.	*			trans	-151.6	163.3	172.3	72.8	-84.1	0	0	0	111.4	V5 T9 I30 Y41 G45	V5-F7 WeakPolarHBondContact CG1-O 3.17Å; F7-T9 HydrophobicContact CD2-CG2 4.38Å; F7-T9 HydrophobicContact CE2-CG2 4.15Å; F7-I30 HydrophobicContact CE1-CD1 4.26Å; F7-I30 HydrophobicContact CZ-CD1 3.98Å; F7-Y41 HydrophobicContact CE2-CD1 4.48Å; F7-G45 VanDerWaalsContact CD2-CA 3.47Å; F7-G45 VanDerWaalsContact CG-CA 3.43Å
8	K	91.3	Very high	83.4	Confident	185 Å²	185	115 Å²	115	80%	0.804	61%	0.605	S	S	*	*			trans	-141.8	129.5	173.4	-177.7	175.5	179.9	175.4	0	108.8	V5	V5-K8 HydrophobicContact CG1-CB 4.36Å
9	T	91	Very high	83.9	Confident	58 Å²	58	111 Å²	111	36%	0.356	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-78.6	161	175.1	53.6	0	0	0	0	111	F7 Y41	F7-T9 HydrophobicContact CD2-CG2 4.38Å; F7-T9 HydrophobicContact CE2-CG2 4.15Å; T9-Y41 HydrophobicContact CG2-CD1 4.45Å; T9-Y41 HydrophobicContact CG2-CE1 3.79Å; T9-Y41 HydrophobicContact CG2-CE2 4.38Å
10	F	90.4	Very high	84.3	Confident	198 Å²	198	109.8 Å²	109.8	87%	0.868	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-66.2	147.6	170.1	-69.8	-77.2	0	0	0	110.2	G12	F10-G12 PolarHBondContact O-N 3.37Å
11	P	88.9	Confident	84.3	Confident	130 Å²	130	104.6 Å²	104.6	84%	0.844	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-55.2	133.5	172.9	-22.9	33.1	0	0	0	111
12	G	87.9	Confident	85.6	Confident	62 Å²	62	95.6 Å²	95.6	64%	0.639	51%	0.511	S	S	*	.			trans	-134.3	-164.2	179	0	0	0	0	0	111.5	F10	F10-G12 PolarHBondContact O-N 3.37Å
13	P	89	Confident	85.8	Confident	102 Å²	102	96.7 Å²	96.7	66%	0.662	51%	0.512	S	S	*	.	S	Bend	trans	-57.8	167.3	169	-17.1	30.1	0	0	0	111.8
14	R	89.6	Confident	85.2	Confident	155 Å²	155	98.1 Å²	98.1	59%	0.585	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-53	142	173.9	-178.5	179.9	175.7	176.2	6.9	109.6	D16 S34 E354	R14-D16 WeakPolarHBondContact CD-OD1 3.43Å; R14-D16 WeakPolarHBondContact CG-OD1 2.87Å; R14-D16 IonicContact CZ-OD1 3.68Å; R14-D16 IonicContact NE-OD1 2.68Å; R14-D16 PolarHBondContact NE-OD1 2.78Å; R14-S34 VanDerWaalsContact O-CA 3.28Å; R14-S34 WeakPolarHBondContact O-CA 3.31Å; R14-S34 VanDerWaalsContact O-CB 3.24Å; R14-S34 WeakPolarHBondContact O-CB 3.32Å; R14-S34 PolarHBondContact O-OG 2.89Å; R14-E354 IonicContact NH2-OE2 3.14Å; R14-E354 PolarHBondContact NH2-OE2 2.9Å; R14-E354 VanDerWaalsContact NH2-OE2 3.07Å
15	I	93.1	Very high	84.5	Confident	88 Å²	88	96.3 Å²	96.3	45%	0.451	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-92.8	118.7	168	-63.3	174.1	0	0	0	106.2	F32 A33	I15-F32 HydrophobicContact CD1-CD2 4.07Å; I15-F32 HydrophobicContact CD1-CE2 4.29Å; I15-F32 HydrophobicContact CD1-CG 4.31Å; I15-F32 HydrophobicContact CG1-CD2 3.86Å; I15-F32 HydrophobicContact CG1-CE2 4.19Å; I15-F32 HydrophobicContact CG1-CG 4.48Å; I15-F32 HydrophobicContact CG2-CB 3.84Å; I15-F32 HydrophobicContact CG2-CD2 4.24Å; I15-F32 HydrophobicContact CG2-CG 4.34Å; I15-A33 WeakPolarHBondContact CA-O 3.43Å
16	D	91.7	Very high	83.6	Confident	51 Å²	51	93.2 Å²	93.2	27%	0.273	51%	0.512	S	S	.	.			trans	-99.6	-28.3	-174	-60.5	-57.9	0	0	0	111.5	R14 A33 G35 I59	R14-D16 WeakPolarHBondContact CD-OD1 3.43Å; R14-D16 WeakPolarHBondContact CG-OD1 2.87Å; R14-D16 IonicContact CZ-OD1 3.68Å; R14-D16 IonicContact NE-OD1 2.68Å; R14-D16 PolarHBondContact NE-OD1 2.78Å; D16-A33 PolarHBondContact N-O 3.5Å; D16-G35 PolarHBondContact OD2-N 2.88Å; D16-I59 VanDerWaalsContact CB-O 3.28Å; D16-I59 WeakPolarHBondContact CB-O 2.9Å
17	A	93.8	Very high	82.9	Confident	12 Å²	12	88.9 Å²	88.9	10%	0.099	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	146.7	174.6	0	0	0	0	0	111.4	F32 A33 I62	A17-F32 CarbonylContact O-C 3.55Å; A17-F32 WeakPolarHBondContact O-CA 3.27Å; A17-F32 WeakPolarHBondContact O-CB 3.44Å; A17-A33 PolarHBondContact O-N 2.69Å; A17-I62 HydrophobicContact CB-CB 4.39Å; A17-I62 HydrophobicContact CB-CD1 3.74Å; A17-I62 HydrophobicContact CB-CG1 3.68Å
18	L	94.2	Very high	82.5	Confident	119 Å²	119	88.9 Å²	88.9	62%	0.623	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.9	131.3	-178.9	176.2	73.5	0	0	0	109	I30 F31 F32	L18-I30 HydrophobicContact CD1-CG2 3.71Å; L18-F31 WeakPolarHBondContact CA-O 3.25Å; L18-F32 HydrophobicContact CD1-CB 3.82Å
19	T	93.1	Very high	82.5	Confident	39 Å²	39	84.3 Å²	84.3	24%	0.239	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	158.3	174.9	-167.2	0	0	0	0	111.6	F31 I62 I64	T19-F31 HydrophobicContact CG2-CB 4.27Å; T19-F31 PolarHBondContact N-O 2.79Å; T19-F31 PolarHBondContact O-N 2.86Å; T19-F31 VanDerWaalsContact O-O 3.08Å; T19-I62 HydrophobicContact CG2-CB 4.26Å; T19-I62 HydrophobicContact CG2-CG2 3.81Å; T19-I64 HydrophobicContact CG2-CB 4.38Å; T19-I64 HydrophobicContact CG2-CD1 3.78Å; T19-I64 HydrophobicContact CG2-CG1 3.97Å
20	L	90.7	Very high	82.6	Confident	87 Å²	87	83.6 Å²	83.6	46%	0.455	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	136.5	169	-66.1	176.6	0	0	0	108.6	A27 K29 I30	L20-A27 HydrophobicContact CB-CB 4.1Å; L20-K29 CarbonylContact C-O 3.58Å; L20-K29 WeakPolarHBondContact CA-O 3.11Å; L20-I30 HydrophobicContact CD2-CB 4.42Å; L20-I30 HydrophobicContact CD2-CG1 3.76Å
21	G	85	Confident	82.9	Confident	1 Å²	1	74.9 Å²	74.9	1%	0.01	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	159.1	174.6	0	0	0	0	0	111.6	A27 D28 K29	G21-A27 CarbonylContact O-C 3.54Å; G21-A27 WeakPolarHBondContact O-CA 3.36Å; G21-D28 PolarHBondContact O-N 2.97Å; G21-K29 PolarHBondContact N-O 3.1Å; G21-K29 WeakPolarHBondContact O-CB 3.37Å; G21-K29 PolarHBondContact O-N 3.04Å; G21-K29 VanDerWaalsContact O-N 3.13Å
22	G	74.6	Confident	83.2	Confident	15 Å²	15	69.8 Å²	69.8	16%	0.155	40%	0.403	C	S	.	.	S	Bend	trans	148.2	-177.9	-179	0	0	0	0	0	109.8
23	D	63.1	Low	83.6	Confident	125 Å²	125	66.9 Å²	66.9	67%	0.668	37%	0.373	S	S	*	.			trans	-75.2	153.9	175.2	-55.7	-30.3	0	0	0	109.4	V25 G26	D23-V25 PolarHBondContact O-N 2.91Å; D23-G26 CarbonylContact O-C 3.59Å; D23-G26 PolarHBondContact O-N 2.77Å
24	D	54.5	Low	83.8	Confident	124 Å²	124	62.7 Å²	62.7	66%	0.663	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-18.8	-172.7	-63.3	-20.2	0	0	0	115.1	Q65	D24-Q65 PolarHBondContact OD1-NE2 3.03Å
25	V	54.2	Low	83.9	Confident	149 Å²	149	56.1 Å²	56.1	90%	0.903	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-7.6	-177	-171	0	0	0	0	112.7	D23	D23-V25 PolarHBondContact O-N 2.91Å
26	G	61.8	Low	83.9	Confident	47 Å²	47	53.2 Å²	53.2	49%	0.485	31%	0.314	S	S	.	.			trans	177.9	76.6	178.8	0	0	0	0	0	115	D23 D28	D23-G26 CarbonylContact O-C 3.59Å; D23-G26 PolarHBondContact O-N 2.77Å; G26-D28 PolarHBondContact O-N 2.85Å
27	A	71.6	Confident	84	Confident	47 Å²	47	52.7 Å²	52.7	39%	0.388	31%	0.312	S	S	.	.			trans	-65.9	90.7	171.5	0	0	0	0	0	111.4	L20 G21	L20-A27 HydrophobicContact CB-CB 4.1Å; G21-A27 CarbonylContact O-C 3.54Å; G21-A27 WeakPolarHBondContact O-CA 3.36Å
28	D	82.8	Confident	84.1	Confident	72 Å²	72	52.1 Å²	52.1	39%	0.385	31%	0.308	S	S	.	.			trans	-111.6	3.3	-177.1	82.3	-25.4	0	0	0	114	G21 G26 R43	G21-D28 PolarHBondContact O-N 2.97Å; G26-D28 PolarHBondContact O-N 2.85Å; D28-R43 PolarHBondContact O-N 3.06Å; D28-R43 VanDerWaalsContact O-N 3.16Å
29	K	91.3	Very high	84.2	Confident	90 Å²	90	47.7 Å²	47.7	39%	0.391	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.4	175.9	-61.5	175.8	-173.3	168.9	0	109.2	L20 G21 F31 F48	L20-K29 CarbonylContact C-O 3.58Å; L20-K29 WeakPolarHBondContact CA-O 3.11Å; G21-K29 PolarHBondContact N-O 3.1Å; G21-K29 WeakPolarHBondContact O-CB 3.37Å; G21-K29 PolarHBondContact O-N 3.04Å; G21-K29 VanDerWaalsContact O-N 3.13Å; K29-F31 HydrophobicContact CB-CD2 4.21Å; K29-F31 HydrophobicContact CB-CE2 3.51Å; K29-F31 HydrophobicContact CB-CZ 4.11Å; K29-F31 HydrophobicContact CD-CE2 4.36Å; K29-F31 HydrophobicContact CD-CZ 4.3Å; K29-F48 HydrophobicContact CB-CE1 4.04Å; K29-F48 HydrophobicContact CB-CZ 3.91Å; K29-F48 HydrophobicContact CD-CE1 4.27Å; K29-F48 HydrophobicContact CD-CE2 4.44Å; K29-F48 HydrophobicContact CD-CZ 3.83Å; K29-F48 HydrophobicContact CG-CE1 4.04Å; K29-F48 HydrophobicContact CG-CZ 4.02Å
30	I	94.5	Very high	84.2	Confident	42 Å²	42	45.9 Å²	45.9	22%	0.215	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.3	179.7	-56	162.6	0	0	0	107.5	F7 L18 L20 G40 Y41	F7-I30 HydrophobicContact CE1-CD1 4.26Å; F7-I30 HydrophobicContact CZ-CD1 3.98Å; L18-I30 HydrophobicContact CD1-CG2 3.71Å; L20-I30 HydrophobicContact CD2-CB 4.42Å; L20-I30 HydrophobicContact CD2-CG1 3.76Å; I30-G40 CarbonylContact O-C 3.56Å; I30-G40 WeakPolarHBondContact O-CA 3.45Å; I30-Y41 PolarHBondContact N-O 2.84Å; I30-Y41 PolarHBondContact O-N 2.86Å
31	F	95.4	Very high	84.4	Confident	16 Å²	16	43.6 Å²	43.6	7%	0.07	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137	174.8	-64	-95.9	0	0	0	110.2	L18 T19 K29 V38 N39 F48 L49 I64	L18-F31 WeakPolarHBondContact CA-O 3.25Å; T19-F31 HydrophobicContact CG2-CB 4.27Å; T19-F31 PolarHBondContact N-O 2.79Å; T19-F31 PolarHBondContact O-N 2.86Å; T19-F31 VanDerWaalsContact O-O 3.08Å; K29-F31 HydrophobicContact CB-CD2 4.21Å; K29-F31 HydrophobicContact CB-CE2 3.51Å; K29-F31 HydrophobicContact CB-CZ 4.11Å; K29-F31 HydrophobicContact CD-CE2 4.36Å; K29-F31 HydrophobicContact CD-CZ 4.3Å; F31-V38 HydrophobicContact CD1-CG1 4.42Å; F31-N39 CarbonylContact C-O 3.6Å; F31-N39 VanDerWaalsContact CA-O 3.27Å; F31-N39 WeakPolarHBondContact CA-O 3.09Å; F31-F48 AromaticContact CE1-CE2 3.94Å; F31-F48 HydrophobicContact CE1-CE2 3.94Å; F31-F48 AromaticContact CE1-CZ 3.8Å; F31-F48 HydrophobicContact CE1-CZ 3.8Å; F31-F48 HydrophobicContact CE2-CZ 4.31Å; F31-F48 HydrophobicContact CZ-CE2 4.02Å; F31-F48 AromaticContact CZ-CZ 3.66Å; F31-F48 HydrophobicContact CZ-CZ 3.66Å; F31-L49 HydrophobicContact CD1-CD2 4.17Å; F31-L49 HydrophobicContact CE1-CD2 3.74Å; F31-I64 HydrophobicContact CB-CD1 3.28Å; F31-I64 HydrophobicContact CD1-CD1 3.58Å; F31-I64 HydrophobicContact CD2-CD1 3.31Å; F31-I64 HydrophobicContact CE1-CD1 4.12Å; F31-I64 HydrophobicContact CE2-CD1 3.89Å; F31-I64 HydrophobicContact CE2-CG2 4.22Å; F31-I64 HydrophobicContact CG-CD1 3.11Å; F31-I64 HydrophobicContact CZ-CD1 4.25Å
32	F	95.6	Very high	84.8	Confident	23 Å²	23	45.6 Å²	45.6	10%	0.101	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	150.2	173.2	68.1	-98	0	0	0	111.5	I15 A17 L18 V38 N39 Y41	I15-F32 HydrophobicContact CD1-CD2 4.07Å; I15-F32 HydrophobicContact CD1-CE2 4.29Å; I15-F32 HydrophobicContact CD1-CG 4.31Å; I15-F32 HydrophobicContact CG1-CD2 3.86Å; I15-F32 HydrophobicContact CG1-CE2 4.19Å; I15-F32 HydrophobicContact CG1-CG 4.48Å; I15-F32 HydrophobicContact CG2-CB 3.84Å; I15-F32 HydrophobicContact CG2-CD2 4.24Å; I15-F32 HydrophobicContact CG2-CG 4.34Å; A17-F32 CarbonylContact O-C 3.55Å; A17-F32 WeakPolarHBondContact O-CA 3.27Å; A17-F32 WeakPolarHBondContact O-CB 3.44Å; L18-F32 HydrophobicContact CD1-CB 3.82Å; F32-V38 CarbonylContact O-C 3.52Å; F32-V38 WeakPolarHBondContact O-CA 3.48Å; F32-N39 HydrophobicContact CD1-CB 4.28Å; F32-N39 HydrophobicContact CD2-CB 4.27Å; F32-N39 HydrophobicContact CE1-CB 3.83Å; F32-N39 HydrophobicContact CE2-CB 3.79Å; F32-N39 HydrophobicContact CG-CB 4.49Å; F32-N39 HydrophobicContact CZ-CB 3.55Å; F32-N39 PolarHBondContact N-O 3.18Å; F32-N39 PolarHBondContact O-N 2.84Å; F32-Y41 HydrophobicContact CD1-CD2 4.32Å; F32-Y41 HydrophobicContact CD1-CE2 4.45Å; F32-Y41 AromaticContact CE1-CD2 3.56Å; F32-Y41 HydrophobicContact CE1-CD2 3.56Å; F32-Y41 AromaticContact CE1-CE2 3.35Å; F32-Y41 HydrophobicContact CE1-CE2 3.35Å; F32-Y41 HydrophobicContact CZ-CD2 4.39Å; F32-Y41 AromaticContact CZ-CE2 3.74Å; F32-Y41 HydrophobicContact CZ-CE2 3.74Å
33	A	95.8	Very high	85.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	142.3	170.8	0	0	0	0	0	111.5	I15 D16 A17 V37 V38 I59 I62	I15-A33 WeakPolarHBondContact CA-O 3.43Å; D16-A33 PolarHBondContact N-O 3.5Å; A17-A33 PolarHBondContact O-N 2.69Å; A33-V37 WeakPolarHBondContact CA-O 3.38Å; A33-V38 HydrophobicContact CB-CG2 4.46Å; A33-I59 HydrophobicContact CB-CB 3.69Å; A33-I59 HydrophobicContact CB-CD1 3.94Å; A33-I59 HydrophobicContact CB-CG1 4.43Å; A33-I59 HydrophobicContact CB-CG2 3.66Å; A33-I62 HydrophobicContact CB-CD1 3.47Å; A33-I62 VanDerWaalsContact CB-CD1 3.47Å; A33-I62 HydrophobicContact CB-CG1 4.26Å
34	S	93.4	Very high	86.7	Confident	14 Å²	14	54.4 Å²	54.4	10%	0.098	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	103.5	172.1	-73.7	0	0	0	0	108.2	R14 S36 V37	R14-S34 VanDerWaalsContact O-CA 3.28Å; R14-S34 WeakPolarHBondContact O-CA 3.31Å; R14-S34 VanDerWaalsContact O-CB 3.24Å; R14-S34 WeakPolarHBondContact O-CB 3.32Å; R14-S34 PolarHBondContact O-OG 2.89Å; S34-S36 PolarHBondContact O-N 2.88Å; S34-V37 PolarHBondContact N-O 3.24Å; S34-V37 PolarHBondContact O-N 3.29Å
35	G	91.6	Very high	88.4	Confident	17 Å²	17	49.4 Å²	49.4	18%	0.175	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	-120.1	-168.1	0	0	0	0	0	111.9	D16 I59	D16-G35 PolarHBondContact OD2-N 2.88Å; G35-I59 WeakPolarHBondContact O-CG1 3.29Å; G35-I59 PolarHBondContact O-N 3.47Å
36	S	92.5	Very high	90.3	Very high	28 Å²	28	49.3 Å²	49.3	20%	0.196	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	8.9	-178.1	60.7	0	0	0	0	114.3	S34 T53 K55	S34-S36 PolarHBondContact O-N 2.88Å; S36-T53 PolarHBondContact O-N 3.29Å; S36-T53 VanDerWaalsContact O-N 3.12Å; S36-T53 PolarHBondContact O-OG1 3.4Å; S36-K55 WeakPolarHBondContact CB-O 3.3Å; S36-K55 PolarHBondContact OG-O 2.96Å
37	V	94.7	Very high	91.8	Very high	39 Å²	39	50.9 Å²	50.9	24%	0.236	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.8	-176.4	-177.7	0	0	0	0	110.8	A33 S34 F51 E52	A33-V37 WeakPolarHBondContact CA-O 3.38Å; S34-V37 PolarHBondContact N-O 3.24Å; S34-V37 PolarHBondContact O-N 3.29Å; V37-F51 CarbonylContact C-O 3.47Å; V37-F51 WeakPolarHBondContact CA-O 3.43Å; V37-E52 HydrophobicContact CG2-CB 4.18Å; V37-E52 HydrophobicContact CG2-CG 4.1Å
38	V	95.7	Very high	92.9	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.1	172.1	-177.5	0	0	0	0	109.7	F31 F32 A33 A50 F51 I59 M69 L71	F31-V38 HydrophobicContact CD1-CG1 4.42Å; F32-V38 CarbonylContact O-C 3.52Å; F32-V38 WeakPolarHBondContact O-CA 3.48Å; A33-V38 HydrophobicContact CB-CG2 4.46Å; V38-A50 WeakPolarHBondContact O-CA 3.46Å; V38-F51 HydrophobicContact CB-CB 4.48Å; V38-F51 PolarHBondContact N-O 3.27Å; V38-F51 PolarHBondContact O-N 3.36Å; V38-I59 HydrophobicContact CG2-CD1 3.78Å; V38-M69 HydrophobicContact CB-SD 4.31Å; V38-M69 HydrophobicContact CG1-SD 4.02Å; V38-M69 HydrophobicContact CG2-SD 4.17Å; V38-L71 HydrophobicContact CG2-CD1 3.69Å; V38-L71 HydrophobicContact CG2-CD2 3.77Å; V38-L71 HydrophobicContact CG2-CG 4.43Å
39	N	95.5	Very high	93.4	Very high	27 Å²	27	51.4 Å²	51.4	14%	0.144	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	137.9	177	-68.7	-82.6	0	0	0	110.8	F31 F32 Y41 H47 L49	F31-N39 CarbonylContact C-O 3.6Å; F31-N39 VanDerWaalsContact CA-O 3.27Å; F31-N39 WeakPolarHBondContact CA-O 3.09Å; F32-N39 HydrophobicContact CD1-CB 4.28Å; F32-N39 HydrophobicContact CD2-CB 4.27Å; F32-N39 HydrophobicContact CE1-CB 3.83Å; F32-N39 HydrophobicContact CE2-CB 3.79Å; F32-N39 HydrophobicContact CG-CB 4.49Å; F32-N39 HydrophobicContact CZ-CB 3.55Å; F32-N39 PolarHBondContact N-O 3.18Å; F32-N39 PolarHBondContact O-N 2.84Å; N39-Y41 HydrophobicContact CB-CD2 4.49Å; N39-Y41 HydrophobicContact CB-CE2 4Å; N39-H47 PolarHBondContact OD1-NE2 3.24Å; N39-L49 CarbonylContact C-O 3.57Å; N39-L49 VanDerWaalsContact CA-O 3.32Å; N39-L49 WeakPolarHBondContact CA-O 3.38Å
40	G	94.9	Very high	93.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.4	176.3	0	0	0	0	0	112.1	I30 H47 F48 L49	I30-G40 CarbonylContact O-C 3.56Å; I30-G40 WeakPolarHBondContact O-CA 3.45Å; G40-H47 PolarHBondContact O-CD2 2.89Å; G40-F48 VanDerWaalsContact C-CE1 3.45Å; G40-F48 WeakPolarHBondContact O-CD1 3.33Å; G40-F48 PolarHBondContact O-N 2.87Å; G40-L49 PolarHBondContact N-O 3.19Å; G40-L49 PolarHBondContact O-N 3.26Å
41	Y	94.7	Very high	93.5	Very high	39 Å²	39	49.6 Å²	49.6	15%	0.153	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.2	176.9	-72.7	-97.6	0	0	0	110.2	F7 T9 I30 F32 N39 G45 K46 H47 F48	F7-Y41 HydrophobicContact CE2-CD1 4.48Å; T9-Y41 HydrophobicContact CG2-CD1 4.45Å; T9-Y41 HydrophobicContact CG2-CE1 3.79Å; T9-Y41 HydrophobicContact CG2-CE2 4.38Å; I30-Y41 PolarHBondContact N-O 2.84Å; I30-Y41 PolarHBondContact O-N 2.86Å; F32-Y41 HydrophobicContact CD1-CD2 4.32Å; F32-Y41 HydrophobicContact CD1-CE2 4.45Å; F32-Y41 AromaticContact CE1-CD2 3.56Å; F32-Y41 HydrophobicContact CE1-CD2 3.56Å; F32-Y41 AromaticContact CE1-CE2 3.35Å; F32-Y41 HydrophobicContact CE1-CE2 3.35Å; F32-Y41 HydrophobicContact CZ-CD2 4.39Å; F32-Y41 AromaticContact CZ-CE2 3.74Å; F32-Y41 HydrophobicContact CZ-CE2 3.74Å; N39-Y41 HydrophobicContact CB-CD2 4.49Å; N39-Y41 HydrophobicContact CB-CE2 4Å; Y41-G45 WeakPolarHBondContact CD1-O 3.4Å; Y41-K46 WeakPolarHBondContact CA-O 3.37Å; Y41-H47 HydrophobicContact CD1-CB 4.01Å; Y41-H47 HydrophobicContact CE1-CB 3.59Å; Y41-H47 AromaticContact CE1-CD2 3.99Å; Y41-H47 AromaticContact CE2-CD2 3.54Å; Y41-H47 AromaticContact CZ-CD2 3.48Å; Y41-H47 VanDerWaalsContact CZ-CD2 3.48Å; Y41-F48 WeakPolarHBondContact O-CE1 3.35Å
42	N	92	Very high	93.5	Very high	44 Å²	44	54.2 Å²	54.2	24%	0.235	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	169.1	169	71.4	9.8	0	0	0	110.5	R44 G45 K46 F48	N42-R44 PolarHBondContact O-N 3.1Å; N42-R44 WeakPolarHBondContact OD1-CA 3.37Å; N42-R44 PolarHBondContact OD1-N 2.89Å; N42-G45 PolarHBondContact O-N 2.83Å; N42-G45 PolarHBondContact OD1-N 2.87Å; N42-K46 PolarHBondContact N-O 3.44Å; N42-K46 WeakPolarHBondContact OD1-CB 3.17Å; N42-K46 PolarHBondContact OD1-N 3.45Å; N42-F48 HydrophobicContact CB-CD1 4.43Å
43	R	88.7	Confident	93.2	Very high	145 Å²	145	53.9 Å²	53.9	55%	0.547	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-27.4	175	67.3	-179.6	176.9	157.1	-3.9	115.8	D28 G45	D28-R43 PolarHBondContact O-N 3.06Å; D28-R43 VanDerWaalsContact O-N 3.16Å; R43-G45 VanDerWaalsContact C-N 3.35Å
44	R	89	Confident	92.7	Very high	179 Å²	179	60.6 Å²	60.6	68%	0.675	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	3.8	179.8	-60.2	-175	179.6	175	0.3	113.9	N42 K46	N42-R44 PolarHBondContact O-N 3.1Å; N42-R44 WeakPolarHBondContact OD1-CA 3.37Å; N42-R44 PolarHBondContact OD1-N 2.89Å; R44-K46 VanDerWaalsContact C-N 3.34Å; R44-K46 PolarHBondContact O-N 2.57Å
45	G	91	Very high	92.3	Very high	20 Å²	20	62.5 Å²	62.5	21%	0.206	31%	0.307	C	S	.	.			trans	77.1	13.8	-177.4	0	0	0	0	0	115.2	F7 Y41 N42 R43 H47	F7-G45 VanDerWaalsContact CD2-CA 3.47Å; F7-G45 VanDerWaalsContact CG-CA 3.43Å; Y41-G45 WeakPolarHBondContact CD1-O 3.4Å; N42-G45 PolarHBondContact O-N 2.83Å; N42-G45 PolarHBondContact OD1-N 2.87Å; R43-G45 VanDerWaalsContact C-N 3.35Å; G45-H47 PolarHBondContact O-N 3.31Å
46	K	93.6	Very high	91.9	Very high	147 Å²	147	68.2 Å²	68.2	64%	0.639	34%	0.339	S	S	*	.			trans	-78.2	116.2	170.6	-174.6	-176	175.3	-174.8	0	108.9	Y41 N42 R44 F48	Y41-K46 WeakPolarHBondContact CA-O 3.37Å; N42-K46 PolarHBondContact N-O 3.44Å; N42-K46 WeakPolarHBondContact OD1-CB 3.17Å; N42-K46 PolarHBondContact OD1-N 3.45Å; R44-K46 VanDerWaalsContact C-N 3.34Å; R44-K46 PolarHBondContact O-N 2.57Å; K46-F48 PolarHBondContact O-N 3.01Å
47	H	94.1	Very high	91.6	Very high	80 Å²	80	70.4 Å²	70.4	37%	0.37	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	128.1	170.1	-172.9	-120.4	0	0	0	110.1	N39 G40 Y41 G45 L49	N39-H47 PolarHBondContact OD1-NE2 3.24Å; G40-H47 PolarHBondContact O-CD2 2.89Å; Y41-H47 HydrophobicContact CD1-CB 4.01Å; Y41-H47 HydrophobicContact CE1-CB 3.59Å; Y41-H47 AromaticContact CE1-CD2 3.99Å; Y41-H47 AromaticContact CE2-CD2 3.54Å; Y41-H47 AromaticContact CZ-CD2 3.48Å; Y41-H47 VanDerWaalsContact CZ-CD2 3.48Å; G45-H47 PolarHBondContact O-N 3.31Å; H47-L49 PolarHBondContact CD2-O 3.17Å; H47-L49 PolarHBondContact NE2-O 3.01Å
48	F	93.7	Very high	91.4	Very high	91 Å²	91	73.5 Å²	73.5	40%	0.399	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	-15.7	-179.7	70.3	-101.6	0	0	0	113.6	K29 F31 G40 Y41 N42 K46	K29-F48 HydrophobicContact CB-CE1 4.04Å; K29-F48 HydrophobicContact CB-CZ 3.91Å; K29-F48 HydrophobicContact CD-CE1 4.27Å; K29-F48 HydrophobicContact CD-CE2 4.44Å; K29-F48 HydrophobicContact CD-CZ 3.83Å; K29-F48 HydrophobicContact CG-CE1 4.04Å; K29-F48 HydrophobicContact CG-CZ 4.02Å; F31-F48 AromaticContact CE1-CE2 3.94Å; F31-F48 HydrophobicContact CE1-CE2 3.94Å; F31-F48 AromaticContact CE1-CZ 3.8Å; F31-F48 HydrophobicContact CE1-CZ 3.8Å; F31-F48 HydrophobicContact CE2-CZ 4.31Å; F31-F48 HydrophobicContact CZ-CE2 4.02Å; F31-F48 AromaticContact CZ-CZ 3.66Å; F31-F48 HydrophobicContact CZ-CZ 3.66Å; G40-F48 VanDerWaalsContact C-CE1 3.45Å; G40-F48 WeakPolarHBondContact O-CD1 3.33Å; G40-F48 PolarHBondContact O-N 2.87Å; Y41-F48 WeakPolarHBondContact O-CE1 3.35Å; N42-F48 HydrophobicContact CB-CD1 4.43Å; K46-F48 PolarHBondContact O-N 3.01Å
49	L	94.1	Very high	91.3	Very high	39 Å²	39	73.8 Å²	73.8	20%	0.204	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	131.7	-179.9	-177.9	70.2	0	0	0	110.3	F31 N39 G40 H47 F51	F31-L49 HydrophobicContact CD1-CD2 4.17Å; F31-L49 HydrophobicContact CE1-CD2 3.74Å; N39-L49 CarbonylContact C-O 3.57Å; N39-L49 VanDerWaalsContact CA-O 3.32Å; N39-L49 WeakPolarHBondContact CA-O 3.38Å; G40-L49 PolarHBondContact N-O 3.19Å; G40-L49 PolarHBondContact O-N 3.26Å; H47-L49 PolarHBondContact CD2-O 3.17Å; H47-L49 PolarHBondContact NE2-O 3.01Å; L49-F51 HydrophobicContact CD1-CB 4.28Å; L49-F51 HydrophobicContact CG-CB 4.3Å
50	A	94	Very high	91.3	Very high	64 Å²	64	75.6 Å²	75.6	53%	0.529	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	105.8	160.4	0	0	0	0	0	107.1	V38	V38-A50 WeakPolarHBondContact O-CA 3.46Å
51	F	94.5	Very high	91.3	Very high	30 Å²	30	75.9 Å²	75.9	13%	0.132	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	118.5	-176.4	175.3	-112.2	0	0	0	109.9	V37 V38 L49 T53 M69 L71 Y80 C83	V37-F51 CarbonylContact C-O 3.47Å; V37-F51 WeakPolarHBondContact CA-O 3.43Å; V38-F51 HydrophobicContact CB-CB 4.48Å; V38-F51 PolarHBondContact N-O 3.27Å; V38-F51 PolarHBondContact O-N 3.36Å; L49-F51 HydrophobicContact CD1-CB 4.28Å; L49-F51 HydrophobicContact CG-CB 4.3Å; F51-T53 HydrophobicContact CD1-CG2 4.3Å; F51-T53 HydrophobicContact CE1-CG2 3.85Å; F51-M69 HydrophobicContact CD1-CE 3.36Å; F51-M69 HydrophobicContact CD1-SD 4.39Å; F51-M69 HydrophobicContact CE1-CE 3.44Å; F51-M69 VanDerWaalsContact CE1-CE 3.44Å; F51-M69 HydrophobicContact CG-CE 4.21Å; F51-M69 HydrophobicContact CZ-CE 4.37Å; F51-L71 HydrophobicContact CE1-CD1 4.33Å; F51-Y80 AromaticContact CE1-CD1 3.87Å; F51-Y80 HydrophobicContact CE1-CD1 3.87Å; F51-Y80 HydrophobicContact CE1-CD2 4.31Å; F51-Y80 AromaticContact CE1-CE1 3.79Å; F51-Y80 HydrophobicContact CE1-CE1 3.79Å; F51-Y80 HydrophobicContact CE1-CE2 4.22Å; F51-Y80 HydrophobicContact CE1-CG 4.14Å; F51-Y80 AromaticContact CE1-CZ 3.95Å; F51-Y80 AromaticContact CZ-CD1 3.55Å; F51-Y80 HydrophobicContact CZ-CD1 3.55Å; F51-Y80 AromaticContact CZ-CE1 3.45Å; F51-Y80 HydrophobicContact CZ-CE1 3.45Å; F51-Y80 VanDerWaalsContact CZ-CE1 3.45Å; F51-Y80 HydrophobicContact CZ-CG 4.25Å; F51-C83 HydrophobicContact CD2-CB 3.67Å; F51-C83 HydrophobicContact CE2-CB 3.7Å; F51-C83 WeakPolarHBondContact CE2-O 3.39Å; F51-C83 HydrophobicContact CG-CB 4.37Å; F51-C83 HydrophobicContact CZ-CB 4.4Å
52	E	93.8	Very high	91.3	Very high	113 Å²	113	74.7 Å²	74.7	53%	0.528	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	122.4	175.8	-176.4	169.7	-168.1	0	0	109.4	V37 N54	V37-E52 HydrophobicContact CG2-CB 4.18Å; V37-E52 HydrophobicContact CG2-CG 4.1Å; E52-N54 PolarHBondContact O-N 3.47Å
53	T	89.8	Confident	91.4	Very high	15 Å²	15	73 Å²	73	9%	0.092	36%	0.364	C	S	.	.			trans	-72.2	-12.6	-177	58	0	0	0	0	113.5	S36 F51 K55 I59 L71 Y80	S36-T53 PolarHBondContact O-N 3.29Å; S36-T53 VanDerWaalsContact O-N 3.12Å; S36-T53 PolarHBondContact O-OG1 3.4Å; F51-T53 HydrophobicContact CD1-CG2 4.3Å; F51-T53 HydrophobicContact CE1-CG2 3.85Å; T53-K55 PolarHBondContact O-N 2.92Å; T53-K55 VanDerWaalsContact O-N 3.14Å; T53-K55 PolarHBondContact OG1-N 3.23Å; T53-I59 HydrophobicContact CG2-CD1 4.11Å; T53-L71 HydrophobicContact CG2-CD1 3.56Å; T53-Y80 HydrophobicContact CG2-CE2 4.35Å
54	N	86.1	Confident	91.6	Very high	141 Å²	141	66.9 Å²	66.9	75%	0.754	34%	0.342	S	S	*	.			trans	55.4	17.5	-168	-57.7	-62	0	0	0	114.2	E52	E52-N54 PolarHBondContact O-N 3.47Å
55	K	84.4	Confident	91.6	Very high	54 Å²	54	59.9 Å²	59.9	24%	0.235	32%	0.318	C	S	.	.			trans	-96.1	147.2	172.8	-60	-171.7	-176.2	-171.7	0	109.4	S36 T53 D57 T78 E85	S36-K55 WeakPolarHBondContact CB-O 3.3Å; S36-K55 PolarHBondContact OG-O 2.96Å; T53-K55 PolarHBondContact O-N 2.92Å; T53-K55 VanDerWaalsContact O-N 3.14Å; T53-K55 PolarHBondContact OG1-N 3.23Å; K55-D57 VanDerWaalsContact C-N 3.3Å; K55-T78 VanDerWaalsContact NZ-CG2 3.32Å; K55-T78 PolarHBondContact NZ-OG1 3.08Å; K55-E85 IonicContact NZ-OE1 2.86Å; K55-E85 IonicContact NZ-OE2 3.6Å
56	T	83.9	Confident	91.4	Very high	138 Å²	138	60.5 Å²	60.5	85%	0.847	32%	0.324	S	S	*	.	S	Bend	trans	-77.4	-22.4	176.2	45.5	0	0	0	0	112.5
57	D	84.8	Confident	91.1	Very high	73 Å²	73	57.7 Å²	57.7	39%	0.39	32%	0.319	S	S	.	.	S	Bend	trans	-70.4	143.4	-176.2	-58.8	-10	0	0	0	111.1	K55 S73	K55-D57 VanDerWaalsContact C-N 3.3Å; D57-S73 PolarHBondContact OD2-OG 2.83Å
58	L	90.8	Very high	91.1	Very high	104 Å²	104	55.5 Å²	55.5	55%	0.545	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-75.1	138.1	173.5	-55.3	174.3	0	0	0	109.3	S73	L58-S73 WeakPolarHBondContact O-CA 3.38Å; L58-S73 VanDerWaalsContact O-CB 3.23Å; L58-S73 WeakPolarHBondContact O-CB 3.34Å
59	I	95	Very high	91.1	Very high	7 Å²	7	51.7 Å²	51.7	4%	0.036	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-83	116.1	174.3	-59.2	163.6	0	0	0	107.9	D16 A33 G35 V38 T53 I62 L71 C72	D16-I59 VanDerWaalsContact CB-O 3.28Å; D16-I59 WeakPolarHBondContact CB-O 2.9Å; A33-I59 HydrophobicContact CB-CB 3.69Å; A33-I59 HydrophobicContact CB-CD1 3.94Å; A33-I59 HydrophobicContact CB-CG1 4.43Å; A33-I59 HydrophobicContact CB-CG2 3.66Å; G35-I59 WeakPolarHBondContact O-CG1 3.29Å; G35-I59 PolarHBondContact O-N 3.47Å; V38-I59 HydrophobicContact CG2-CD1 3.78Å; T53-I59 HydrophobicContact CG2-CD1 4.11Å; I59-I62 HydrophobicContact CG2-CD1 4.32Å; I59-I62 HydrophobicContact CG2-CG1 3.72Å; I59-L71 HydrophobicContact CD1-CD1 4.09Å; I59-L71 HydrophobicContact CG2-CB 4.44Å; I59-L71 HydrophobicContact CG2-CD2 4.41Å; I59-C72 CarbonylContact C-O 3.56Å; I59-C72 WeakPolarHBondContact CA-O 3.36Å
60	N	93.5	Very high	91.2	Very high	64 Å²	64	49.9 Å²	49.9	34%	0.342	28%	0.283	S	S	.	.			trans	-98.2	-30.3	-176.5	-63.2	-17.4	0	0	0	112.6	C72 S74	N60-C72 PolarHBondContact N-O 2.83Å; N60-S74 PolarHBondContact ND2-N 2.84Å; N60-S74 PolarHBondContact ND2-OG 2.76Å
61	C	94.9	Very high	91.3	Very high	6 Å²	6	47.1 Å²	47.1	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	153.1	176.3	52.2	0	0	0	0	111.6	C72 V98	C61-C72 PolarHBondContact N-O 3.34Å; C61-C72 PolarHBondContact O-N 2.81Å; C61-C72 WeakPolarHBondContact SG-CB 3.34Å; C61-V98 HydrophobicContact CB-CG1 4.1Å
62	I	95.7	Very high	91.4	Very high	14 Å²	14	45.7 Å²	45.7	7%	0.072	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	132.8	-172.9	-57	171.7	0	0	0	108.8	A17 T19 A33 I59 I64 V70 L71	A17-I62 HydrophobicContact CB-CB 4.39Å; A17-I62 HydrophobicContact CB-CD1 3.74Å; A17-I62 HydrophobicContact CB-CG1 3.68Å; T19-I62 HydrophobicContact CG2-CB 4.26Å; T19-I62 HydrophobicContact CG2-CG2 3.81Å; A33-I62 HydrophobicContact CB-CD1 3.47Å; A33-I62 VanDerWaalsContact CB-CD1 3.47Å; A33-I62 HydrophobicContact CB-CG1 4.26Å; I59-I62 HydrophobicContact CG2-CD1 4.32Å; I59-I62 HydrophobicContact CG2-CG1 3.72Å; I62-I64 HydrophobicContact CG2-CD1 4.01Å; I62-I64 HydrophobicContact CG2-CG1 3.79Å; I62-V70 WeakPolarHBondContact CA-O 3.49Å; I62-L71 HydrophobicContact CB-CD2 4.33Å; I62-L71 HydrophobicContact CD1-CD2 4.5Å; I62-L71 HydrophobicContact CG1-CD2 3.89Å; I62-L71 HydrophobicContact CG2-CD2 3.86Å
63	A	94.6	Very high	91.4	Very high	8 Å²	8	40.9 Å²	40.9	7%	0.066	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	137.3	164	0	0	0	0	0	110.2	V70 V98 C100	A63-V70 HydrophobicContact CB-CB 4.37Å; A63-V70 PolarHBondContact N-O 2.93Å; A63-V70 PolarHBondContact O-N 2.87Å; A63-V98 HydrophobicContact CB-CG1 4.04Å; A63-V98 HydrophobicContact CB-CG2 4.33Å; A63-C100 HydrophobicContact CB-CB 4.09Å; A63-C100 WeakPolarHBondContact CB-SG 3.41Å
64	I	92.7	Very high	91.5	Very high	17 Å²	17	43 Å²	43	9%	0.087	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.6	-178	-64.2	177.5	0	0	0	109	T19 F31 I62 E68 M69	T19-I64 HydrophobicContact CG2-CB 4.38Å; T19-I64 HydrophobicContact CG2-CD1 3.78Å; T19-I64 HydrophobicContact CG2-CG1 3.97Å; F31-I64 HydrophobicContact CB-CD1 3.28Å; F31-I64 HydrophobicContact CD1-CD1 3.58Å; F31-I64 HydrophobicContact CD2-CD1 3.31Å; F31-I64 HydrophobicContact CE1-CD1 4.12Å; F31-I64 HydrophobicContact CE2-CD1 3.89Å; F31-I64 HydrophobicContact CE2-CG2 4.22Å; F31-I64 HydrophobicContact CG-CD1 3.11Å; F31-I64 HydrophobicContact CZ-CD1 4.25Å; I62-I64 HydrophobicContact CG2-CD1 4.01Å; I62-I64 HydrophobicContact CG2-CG1 3.79Å; I64-E68 WeakPolarHBondContact CA-O 3.5Å; I64-M69 HydrophobicContact CG1-CG 4.45Å
65	Q	88.5	Confident	91.7	Very high	33 Å²	33	38.4 Å²	38.4	15%	0.154	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	103.7	173.4	-174.6	65.8	17.7	0	0	108.7	D24 V67 E68 L113	D24-Q65 PolarHBondContact OD1-NE2 3.03Å; Q65-V67 PolarHBondContact O-N 3.3Å; Q65-E68 PolarHBondContact N-O 3.27Å; Q65-E68 WeakPolarHBondContact O-CB 3.38Å; Q65-E68 PolarHBondContact O-N 3.39Å; Q65-L113 HydrophobicContact CB-CD1 4.44Å
66	G	86.2	Confident	92.1	Very high	33 Å²	33	36.6 Å²	36.6	34%	0.34	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	-108.7	-176.8	0	0	0	0	0	112.9
67	V	89	Confident	92.6	Very high	87 Å²	87	30 Å²	30	53%	0.527	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-7	176.6	-62.1	0	0	0	0	113.4	Q65 D82	Q65-V67 PolarHBondContact O-N 3.3Å; V67-D82 PolarHBondContact O-N 2.94Å; V67-D82 VanDerWaalsContact O-N 3.1Å
68	E	92.3	Very high	93.1	Very high	35 Å²	35	26.8 Å²	26.8	16%	0.164	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.2	177.8	-51.8	-59.1	164.1	0	0	109.8	I64 Q65 H79 H81 L113	I64-E68 WeakPolarHBondContact CA-O 3.5Å; Q65-E68 PolarHBondContact N-O 3.27Å; Q65-E68 WeakPolarHBondContact O-CB 3.38Å; Q65-E68 PolarHBondContact O-N 3.39Å; E68-H79 IonicContact OE2-CD2 2.58Å; E68-H79 IonicContact OE2-CE1 3.63Å; E68-H79 PolarHBondContact OE2-CE1 3.12Å; E68-H79 VanDerWaalsContact OE2-CE1 3.25Å; E68-H79 IonicContact OE2-NE2 3.67Å; E68-H79 PolarHBondContact OE2-NE2 3.12Å; E68-H81 VanDerWaalsContact CD-ND1 3.31Å; E68-H81 IonicContact OE1-CE1 3.25Å; E68-H81 PolarHBondContact OE1-CE1 2.87Å; E68-H81 IonicContact OE1-CG 3.61Å; E68-H81 IonicContact OE1-ND1 3.4Å; E68-H81 PolarHBondContact OE1-ND1 3.05Å; E68-H81 IonicContact OE2-CG 2.78Å; E68-H81 IonicContact OE2-ND1 3.27Å; E68-H81 PolarHBondContact OE2-ND1 3.23Å; E68-L113 HydrophobicContact CB-CD1 4.43Å; E68-L113 HydrophobicContact CB-CD2 3.99Å; E68-L113 HydrophobicContact CG-CD1 4.4Å; E68-L113 HydrophobicContact CG-CD2 4.12Å
69	M	94.6	Very high	93.4	Very high	11 Å²	11	22.5 Å²	22.5	5%	0.054	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	117.9	-179.6	177.1	176.6	60.6	0	0	109.1	V38 F51 I64 L71 Y80	V38-M69 HydrophobicContact CB-SD 4.31Å; V38-M69 HydrophobicContact CG1-SD 4.02Å; V38-M69 HydrophobicContact CG2-SD 4.17Å; F51-M69 HydrophobicContact CD1-CE 3.36Å; F51-M69 HydrophobicContact CD1-SD 4.39Å; F51-M69 HydrophobicContact CE1-CE 3.44Å; F51-M69 VanDerWaalsContact CE1-CE 3.44Å; F51-M69 HydrophobicContact CG-CE 4.21Å; F51-M69 HydrophobicContact CZ-CE 4.37Å; I64-M69 HydrophobicContact CG1-CG 4.45Å; M69-L71 HydrophobicContact CE-CD1 4.02Å; M69-L71 HydrophobicContact CE-CG 4.49Å; M69-L71 HydrophobicContact CG-CD1 4.34Å; M69-L71 HydrophobicContact CG-CD2 3.57Å; M69-L71 HydrophobicContact CG-CG 3.84Å; M69-L71 HydrophobicContact SD-CD1 4.09Å; M69-L71 HydrophobicContact SD-CD2 3.91Å; M69-L71 HydrophobicContact SD-CG 4.22Å; M69-Y80 HydrophobicContact CE-CD2 4.01Å; M69-Y80 HydrophobicContact CE-CG 3.93Å; M69-Y80 PolarHBondContact N-O 2.99Å; M69-Y80 PolarHBondContact O-N 2.82Å
70	V	96	Very high	93.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118	176.8	-176.4	0	0	0	0	108.1	I62 A63 M77 V98 C100 L113 I115	I62-V70 WeakPolarHBondContact CA-O 3.49Å; A63-V70 HydrophobicContact CB-CB 4.37Å; A63-V70 PolarHBondContact N-O 2.93Å; A63-V70 PolarHBondContact O-N 2.87Å; V70-M77 HydrophobicContact CG1-CG 3.56Å; V70-M77 HydrophobicContact CG1-SD 3.78Å; V70-V98 HydrophobicContact CB-CG2 4.49Å; V70-V98 HydrophobicContact CG1-CG2 3.74Å; V70-C100 HydrophobicContact CG2-CB 3.91Å; V70-L113 HydrophobicContact CG2-CD2 4.49Å; V70-I115 HydrophobicContact CG1-CD1 4.3Å; V70-I115 HydrophobicContact CG1-CG2 3.98Å; V70-I115 HydrophobicContact CG2-CD1 3.69Å; V70-I115 HydrophobicContact CG2-CG1 4.03Å
71	L	96.8	Very high	93.4	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.031	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.9	-178.3	-54.7	-177.6	0	0	0	109.4	V38 F51 T53 I59 I62 M69 T78 Y80	V38-L71 HydrophobicContact CG2-CD1 3.69Å; V38-L71 HydrophobicContact CG2-CD2 3.77Å; V38-L71 HydrophobicContact CG2-CG 4.43Å; F51-L71 HydrophobicContact CE1-CD1 4.33Å; T53-L71 HydrophobicContact CG2-CD1 3.56Å; I59-L71 HydrophobicContact CD1-CD1 4.09Å; I59-L71 HydrophobicContact CG2-CB 4.44Å; I59-L71 HydrophobicContact CG2-CD2 4.41Å; I62-L71 HydrophobicContact CB-CD2 4.33Å; I62-L71 HydrophobicContact CD1-CD2 4.5Å; I62-L71 HydrophobicContact CG1-CD2 3.89Å; I62-L71 HydrophobicContact CG2-CD2 3.86Å; M69-L71 HydrophobicContact CE-CD1 4.02Å; M69-L71 HydrophobicContact CE-CG 4.49Å; M69-L71 HydrophobicContact CG-CD1 4.34Å; M69-L71 HydrophobicContact CG-CD2 3.57Å; M69-L71 HydrophobicContact CG-CG 3.84Å; M69-L71 HydrophobicContact SD-CD1 4.09Å; M69-L71 HydrophobicContact SD-CD2 3.91Å; M69-L71 HydrophobicContact SD-CG 4.22Å; L71-T78 PolarHBondContact N-O 3.46Å; L71-T78 PolarHBondContact O-N 3.08Å; L71-Y80 HydrophobicContact CB-CE2 4.36Å; L71-Y80 HydrophobicContact CD1-CD2 3.92Å; L71-Y80 HydrophobicContact CD1-CE2 3.65Å; L71-Y80 HydrophobicContact CG-CD2 4.13Å; L71-Y80 HydrophobicContact CG-CE2 4.12Å
72	C	96.2	Very high	93.2	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.007	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.2	-179.8	-66.3	0	0	0	0	110.6	I59 N60 C61 T76 M77 I95	I59-C72 CarbonylContact C-O 3.56Å; I59-C72 WeakPolarHBondContact CA-O 3.36Å; N60-C72 PolarHBondContact N-O 2.83Å; C61-C72 PolarHBondContact N-O 3.34Å; C61-C72 PolarHBondContact O-N 2.81Å; C61-C72 WeakPolarHBondContact SG-CB 3.34Å; C72-T76 CarbonylContact C-O 3.59Å; C72-T76 WeakPolarHBondContact CA-O 3.38Å; C72-M77 VanDerWaalsContact SG-CG 3.53Å; C72-I95 HydrophobicContact CB-CD1 4.47Å; C72-I95 HydrophobicContact CB-CG2 4.02Å
73	S	93.5	Very high	93.1	Very high	12 Å²	12	29.9 Å²	29.9	8%	0.084	17%	0.173	C	C	.	.			trans	-93.9	-167.4	159.1	70.7	0	0	0	0	109.8	D57 L58 H75 T76	D57-S73 PolarHBondContact OD2-OG 2.83Å; L58-S73 WeakPolarHBondContact O-CA 3.38Å; L58-S73 VanDerWaalsContact O-CB 3.23Å; L58-S73 WeakPolarHBondContact O-CB 3.34Å; S73-H75 VanDerWaalsContact C-N 3.29Å; S73-H75 PolarHBondContact O-N 3.35Å; S73-T76 PolarHBondContact N-O 3.13Å; S73-T76 WeakPolarHBondContact OG-CB 3.23Å; S73-T76 PolarHBondContact OG-N 3.48Å; S73-T76 PolarHBondContact OG-O 3.4Å
74	S	91.7	Very high	93	Very high	60 Å²	60	33.5 Å²	33.5	42%	0.42	20%	0.195	S	C	.	.	S	Bend	trans	-55.2	-40.9	-179.9	-53.1	0	0	0	0	113.1	N60 A94 I95	N60-S74 PolarHBondContact ND2-N 2.84Å; N60-S74 PolarHBondContact ND2-OG 2.76Å; S74-A94 CarbonylContact O-C 3.6Å; S74-A94 WeakPolarHBondContact O-CA 3.26Å; S74-I95 PolarHBondContact O-N 2.82Å
75	H	91.4	Very high	93.1	Very high	44 Å²	44	36.9 Å²	36.9	20%	0.204	21%	0.21	C	C	.	.	S	Bend	trans	-130.2	-6.8	-177.7	-68.2	-79.7	0	0	0	114.1	S73 S91 D93 A94	S73-H75 VanDerWaalsContact C-N 3.29Å; S73-H75 PolarHBondContact O-N 3.35Å; H75-S91 PolarHBondContact ND1-O 3.39Å; H75-S91 PolarHBondContact O-N 2.9Å; H75-D93 VanDerWaalsContact ND1-C 3.26Å; H75-D93 PolarHBondContact ND1-O 3.43Å; H75-A94 PolarHBondContact CE1-N 3.41Å; H75-A94 VanDerWaalsContact CE1-N 3.33Å
76	T	92.6	Very high	93.4	Very high	16 Å²	16	38.3 Å²	38.3	10%	0.098	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.6	-174.7	-51.8	0	0	0	0	109.7	C72 S73 F90	C72-T76 CarbonylContact C-O 3.59Å; C72-T76 WeakPolarHBondContact CA-O 3.38Å; S73-T76 PolarHBondContact N-O 3.13Å; S73-T76 WeakPolarHBondContact OG-CB 3.23Å; S73-T76 PolarHBondContact OG-N 3.48Å; S73-T76 PolarHBondContact OG-O 3.4Å; T76-F90 HydrophobicContact CG2-CD1 4.13Å; T76-F90 HydrophobicContact CG2-CE1 3.87Å; T76-F90 WeakPolarHBondContact OG1-CD1 3.31Å; T76-F90 WeakPolarHBondContact OG1-CE1 3.35Å
77	M	94.8	Very high	93.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.5	164.2	-179.4	-85.2	-73.9	0	0	109.2	V70 C72 H79 F87 H88 Y89 I95 I115 L117 L127	V70-M77 HydrophobicContact CG1-CG 3.56Å; V70-M77 HydrophobicContact CG1-SD 3.78Å; C72-M77 VanDerWaalsContact SG-CG 3.53Å; M77-H79 HydrophobicContact SD-CB 4.29Å; M77-F87 HydrophobicContact CE-CE2 3.92Å; M77-F87 HydrophobicContact SD-CE2 4.48Å; M77-H88 CarbonylContact O-C 3.59Å; M77-H88 WeakPolarHBondContact O-CA 3.19Å; M77-H88 WeakPolarHBondContact O-CB 3.26Å; M77-Y89 PolarHBondContact N-O 3.46Å; M77-Y89 PolarHBondContact O-N 3.41Å; M77-I95 HydrophobicContact CB-CD1 4.05Å; M77-I115 HydrophobicContact CE-CD1 3.89Å; M77-I115 HydrophobicContact CE-CG2 4.14Å; M77-I115 HydrophobicContact SD-CD1 4.21Å; M77-L117 HydrophobicContact CB-CD1 4.33Å; M77-L117 HydrophobicContact CB-CD2 4.2Å; M77-L117 HydrophobicContact CG-CD2 4.04Å; M77-L127 HydrophobicContact CE-CD1 3.17Å; M77-L127 HydrophobicContact CE-CG 4.49Å
78	T	95.4	Very high	93.9	Very high	5 Å²	5	37 Å²	37	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127.4	173.8	-46.2	0	0	0	0	110	K55 L71 Y80 E85 H88	K55-T78 VanDerWaalsContact NZ-CG2 3.32Å; K55-T78 PolarHBondContact NZ-OG1 3.08Å; L71-T78 PolarHBondContact N-O 3.46Å; L71-T78 PolarHBondContact O-N 3.08Å; T78-Y80 HydrophobicContact CG2-CD2 4.04Å; T78-Y80 HydrophobicContact CG2-CE1 4.22Å; T78-Y80 HydrophobicContact CG2-CE2 3.34Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.46Å; T78-E85 HydrophobicContact CG2-CG 3.74Å; T78-H88 HydrophobicContact CG2-CB 4.42Å
79	H	95.7	Very high	93.9	Very high	13 Å²	13	37.2 Å²	37.2	6%	0.06	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128	174.7	171.8	-121.1	0	0	0	110.1	E68 M77 S86 F87 L113 I115	E68-H79 IonicContact OE2-CD2 2.58Å; E68-H79 IonicContact OE2-CE1 3.63Å; E68-H79 PolarHBondContact OE2-CE1 3.12Å; E68-H79 VanDerWaalsContact OE2-CE1 3.25Å; E68-H79 IonicContact OE2-NE2 3.67Å; E68-H79 PolarHBondContact OE2-NE2 3.12Å; M77-H79 HydrophobicContact SD-CB 4.29Å; H79-S86 VanDerWaalsContact ND1-CB 3.29Å; H79-S86 WeakPolarHBondContact ND1-CB 3.32Å; H79-S86 PolarHBondContact O-N 3.27Å; H79-F87 HydrophobicContact CB-CD1 4.1Å; H79-F87 HydrophobicContact CB-CD2 4.4Å; H79-F87 HydrophobicContact CB-CE1 3.74Å; H79-F87 HydrophobicContact CB-CE2 4.06Å; H79-F87 HydrophobicContact CB-CG 4.41Å; H79-F87 HydrophobicContact CB-CZ 3.7Å; H79-F87 AromaticContact CG-CE1 3.69Å; H79-F87 AromaticContact CG-CZ 3.98Å; H79-F87 PolarHBondContact N-O 3.45Å; H79-F87 AromaticContact ND1-CD1 3.58Å; H79-F87 AromaticContact ND1-CE1 3.11Å; H79-F87 WeakPolarHBondContact ND1-CE1 3.35Å; H79-F87 AromaticContact ND1-CZ 3.87Å; H79-F87 PolarHBondContact O-N 2.78Å; H79-L113 WeakPolarHBondContact NE2-CD2 3.49Å; H79-I115 HydrophobicContact CB-CD1 4.38Å
80	Y	95.2	Very high	93.7	Very high	6 Å²	6	42.3 Å²	42.3	2%	0.024	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.9	175.2	-62.2	-93.2	0	0	0	110	F51 T53 M69 L71 T78 T84 E85	F51-Y80 AromaticContact CE1-CD1 3.87Å; F51-Y80 HydrophobicContact CE1-CD1 3.87Å; F51-Y80 HydrophobicContact CE1-CD2 4.31Å; F51-Y80 AromaticContact CE1-CE1 3.79Å; F51-Y80 HydrophobicContact CE1-CE1 3.79Å; F51-Y80 HydrophobicContact CE1-CE2 4.22Å; F51-Y80 HydrophobicContact CE1-CG 4.14Å; F51-Y80 AromaticContact CE1-CZ 3.95Å; F51-Y80 AromaticContact CZ-CD1 3.55Å; F51-Y80 HydrophobicContact CZ-CD1 3.55Å; F51-Y80 AromaticContact CZ-CE1 3.45Å; F51-Y80 HydrophobicContact CZ-CE1 3.45Å; F51-Y80 VanDerWaalsContact CZ-CE1 3.45Å; F51-Y80 HydrophobicContact CZ-CG 4.25Å; T53-Y80 HydrophobicContact CG2-CE2 4.35Å; M69-Y80 HydrophobicContact CE-CD2 4.01Å; M69-Y80 HydrophobicContact CE-CG 3.93Å; M69-Y80 PolarHBondContact N-O 2.99Å; M69-Y80 PolarHBondContact O-N 2.82Å; L71-Y80 HydrophobicContact CB-CE2 4.36Å; L71-Y80 HydrophobicContact CD1-CD2 3.92Å; L71-Y80 HydrophobicContact CD1-CE2 3.65Å; L71-Y80 HydrophobicContact CG-CD2 4.13Å; L71-Y80 HydrophobicContact CG-CE2 4.12Å; T78-Y80 HydrophobicContact CG2-CD2 4.04Å; T78-Y80 HydrophobicContact CG2-CE1 4.22Å; T78-Y80 HydrophobicContact CG2-CE2 3.34Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.46Å; Y80-T84 CarbonylContact C-O 3.53Å; Y80-T84 VanDerWaalsContact CA-O 3.24Å; Y80-T84 WeakPolarHBondContact CA-O 3.15Å; Y80-E85 HydrophobicContact CD1-CB 3.98Å; Y80-E85 HydrophobicContact CE1-CB 3.75Å; Y80-E85 HydrophobicContact CE1-CG 4.37Å
81	H	93.5	Very high	93.4	Very high	81 Å²	81	42.5 Å²	42.5	38%	0.375	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.6	168.9	178.7	81.7	0	0	0	107.9	E68 C83 T84 S86	E68-H81 VanDerWaalsContact CD-ND1 3.31Å; E68-H81 IonicContact OE1-CE1 3.25Å; E68-H81 PolarHBondContact OE1-CE1 2.87Å; E68-H81 IonicContact OE1-CG 3.61Å; E68-H81 IonicContact OE1-ND1 3.4Å; E68-H81 PolarHBondContact OE1-ND1 3.05Å; E68-H81 IonicContact OE2-CG 2.78Å; E68-H81 IonicContact OE2-ND1 3.27Å; E68-H81 PolarHBondContact OE2-ND1 3.23Å; H81-C83 VanDerWaalsContact C-N 3.31Å; H81-C83 PolarHBondContact O-N 2.9Å; H81-T84 PolarHBondContact N-O 2.81Å; H81-T84 WeakPolarHBondContact O-CB 3.48Å; H81-T84 PolarHBondContact O-N 2.97Å; H81-T84 PolarHBondContact O-OG1 3.48Å; H81-S86 WeakPolarHBondContact CB-OG 3.34Å
82	D	91.7	Very high	92.8	Very high	114 Å²	114	43 Å²	43	61%	0.61	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.7	50.7	-177.5	-165.9	28	0	0	0	113.1	V67 T84	V67-D82 PolarHBondContact O-N 2.94Å; V67-D82 VanDerWaalsContact O-N 3.1Å; D82-T84 PolarHBondContact O-N 2.88Å; D82-T84 VanDerWaalsContact O-N 3.11Å
83	C	92.2	Very high	92.5	Very high	45 Å²	45	43.3 Å²	43.3	30%	0.304	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	12.5	-177.6	-53.4	0	0	0	0	115.5	F51 H81	F51-C83 HydrophobicContact CD2-CB 3.67Å; F51-C83 HydrophobicContact CE2-CB 3.7Å; F51-C83 WeakPolarHBondContact CE2-O 3.39Å; F51-C83 HydrophobicContact CG-CB 4.37Å; F51-C83 HydrophobicContact CZ-CB 4.4Å; H81-C83 VanDerWaalsContact C-N 3.31Å; H81-C83 PolarHBondContact O-N 2.9Å
84	T	94.1	Very high	92.5	Very high	84 Å²	84	43.4 Å²	43.4	52%	0.515	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.8	171.7	65.6	0	0	0	0	110.3	Y80 H81 D82 S86	Y80-T84 CarbonylContact C-O 3.53Å; Y80-T84 VanDerWaalsContact CA-O 3.24Å; Y80-T84 WeakPolarHBondContact CA-O 3.15Å; H81-T84 PolarHBondContact N-O 2.81Å; H81-T84 WeakPolarHBondContact O-CB 3.48Å; H81-T84 PolarHBondContact O-N 2.97Å; H81-T84 PolarHBondContact O-OG1 3.48Å; D82-T84 PolarHBondContact O-N 2.88Å; D82-T84 VanDerWaalsContact O-N 3.11Å; T84-S86 PolarHBondContact O-N 3.48Å; T84-S86 VanDerWaalsContact O-N 3.16Å
85	E	94.2	Very high	92.7	Very high	89 Å²	89	40.8 Å²	40.8	42%	0.416	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	119.9	179	-177	172.5	154.8	0	0	109.1	K55 T78 Y80 H88	K55-E85 IonicContact NZ-OE1 2.86Å; K55-E85 IonicContact NZ-OE2 3.6Å; T78-E85 HydrophobicContact CG2-CG 3.74Å; Y80-E85 HydrophobicContact CD1-CB 3.98Å; Y80-E85 HydrophobicContact CE1-CB 3.75Å; Y80-E85 HydrophobicContact CE1-CG 4.37Å; E85-H88 IonicContact OE1-CG 4Å; E85-H88 IonicContact OE1-ND1 3.69Å; E85-H88 PolarHBondContact OE1-ND1 2.91Å; E85-H88 VanDerWaalsContact OE1-ND1 3.07Å
86	S	93.5	Very high	92.8	Very high	62 Å²	62	41 Å²	41	43%	0.434	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-51.7	176.6	-68.4	0	0	0	0	110.4	H79 H81 T84	H79-S86 VanDerWaalsContact ND1-CB 3.29Å; H79-S86 WeakPolarHBondContact ND1-CB 3.32Å; H79-S86 PolarHBondContact O-N 3.27Å; H81-S86 WeakPolarHBondContact CB-OG 3.34Å; T84-S86 PolarHBondContact O-N 3.48Å; T84-S86 VanDerWaalsContact O-N 3.16Å
87	F	93.7	Very high	93.1	Very high	34 Å²	34	41.7 Å²	41.7	15%	0.149	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	169.7	174.4	63.5	-89.4	0	0	0	111.7	M77 H79 I115 G129 K130	M77-F87 HydrophobicContact CE-CE2 3.92Å; M77-F87 HydrophobicContact SD-CE2 4.48Å; H79-F87 HydrophobicContact CB-CD1 4.1Å; H79-F87 HydrophobicContact CB-CD2 4.4Å; H79-F87 HydrophobicContact CB-CE1 3.74Å; H79-F87 HydrophobicContact CB-CE2 4.06Å; H79-F87 HydrophobicContact CB-CG 4.41Å; H79-F87 HydrophobicContact CB-CZ 3.7Å; H79-F87 AromaticContact CG-CE1 3.69Å; H79-F87 AromaticContact CG-CZ 3.98Å; H79-F87 PolarHBondContact N-O 3.45Å; H79-F87 AromaticContact ND1-CD1 3.58Å; H79-F87 AromaticContact ND1-CE1 3.11Å; H79-F87 WeakPolarHBondContact ND1-CE1 3.35Å; H79-F87 AromaticContact ND1-CZ 3.87Å; H79-F87 PolarHBondContact O-N 2.78Å; F87-I115 HydrophobicContact CZ-CD1 4.02Å; F87-G129 VanDerWaalsContact CE2-C 3.46Å; F87-G129 WeakPolarHBondContact CE2-O 3.35Å; F87-G129 WeakPolarHBondContact CZ-O 3.33Å; F87-K130 HydrophobicContact CB-CB 4.29Å; F87-K130 HydrophobicContact CB-CD 4.41Å; F87-K130 HydrophobicContact CB-CG 4.41Å; F87-K130 HydrophobicContact CD2-CB 4.02Å; F87-K130 HydrophobicContact CD2-CG 4.32Å; F87-K130 HydrophobicContact CG-CB 4.15Å
88	H	92.2	Very high	93.2	Very high	58 Å²	58	42 Å²	42	27%	0.269	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	158	170.9	57.7	-94	0	0	0	111	M77 T78 E85 F90	M77-H88 CarbonylContact O-C 3.59Å; M77-H88 WeakPolarHBondContact O-CA 3.19Å; M77-H88 WeakPolarHBondContact O-CB 3.26Å; T78-H88 HydrophobicContact CG2-CB 4.42Å; E85-H88 IonicContact OE1-CG 4Å; E85-H88 IonicContact OE1-ND1 3.69Å; E85-H88 PolarHBondContact OE1-ND1 2.91Å; E85-H88 VanDerWaalsContact OE1-ND1 3.07Å; H88-F90 AromaticContact CD2-CD2 3.97Å; H88-F90 AromaticContact CD2-CE2 3.38Å; H88-F90 WeakPolarHBondContact CD2-CE2 3.42Å; H88-F90 AromaticContact CD2-CZ 3.98Å; H88-F90 AromaticContact NE2-CE2 3.69Å
89	Y	92.4	Very high	93.1	Very high	40 Å²	40	42.3 Å²	42.3	16%	0.157	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	133.1	176.3	177	-96.3	0	0	0	109.5	M77 L117 K125 L127	M77-Y89 PolarHBondContact N-O 3.46Å; M77-Y89 PolarHBondContact O-N 3.41Å; Y89-L117 HydrophobicContact CD1-CD1 3.83Å; Y89-L117 HydrophobicContact CE1-CD1 4Å; Y89-K125 HydrophobicContact CE1-CD 4.48Å; Y89-L127 HydrophobicContact CD1-CD1 3.86Å; Y89-L127 HydrophobicContact CD1-CD2 4.41Å; Y89-L127 HydrophobicContact CD2-CD1 4.33Å; Y89-L127 HydrophobicContact CD2-CD2 3.68Å; Y89-L127 HydrophobicContact CE1-CD1 4.4Å; Y89-L127 HydrophobicContact CE1-CD2 4.47Å; Y89-L127 HydrophobicContact CE2-CD2 3.77Å; Y89-L127 HydrophobicContact CG-CD1 3.82Å; Y89-L127 HydrophobicContact CG-CD2 4.02Å
90	F	90.3	Very high	92.9	Very high	118 Å²	118	42 Å²	42	52%	0.518	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	111.8	174.2	-66.4	-76.6	0	0	0	109.1	T76 H88	T76-F90 HydrophobicContact CG2-CD1 4.13Å; T76-F90 HydrophobicContact CG2-CE1 3.87Å; T76-F90 WeakPolarHBondContact OG1-CD1 3.31Å; T76-F90 WeakPolarHBondContact OG1-CE1 3.35Å; H88-F90 AromaticContact CD2-CD2 3.97Å; H88-F90 AromaticContact CD2-CE2 3.38Å; H88-F90 WeakPolarHBondContact CD2-CE2 3.42Å; H88-F90 AromaticContact CD2-CZ 3.98Å; H88-F90 AromaticContact NE2-CE2 3.69Å
91	S	89.6	Confident	92.6	Very high	5 Å²	5	41.9 Å²	41.9	4%	0.035	23%	0.226	C	C	.	.			trans	-79.6	131.6	171.3	179.7	0	0	0	0	109.2	H75 D93 K125	H75-S91 PolarHBondContact ND1-O 3.39Å; H75-S91 PolarHBondContact O-N 2.9Å; S91-D93 VanDerWaalsContact CB-O 3.26Å; S91-D93 WeakPolarHBondContact CB-O 3.46Å; S91-D93 PolarHBondContact O-N 3.04Å; S91-D93 VanDerWaalsContact O-N 3.16Å; S91-D93 PolarHBondContact OG-N 3.29Å; S91-D93 PolarHBondContact OG-O 3.46Å; S91-K125 PolarHBondContact OG-NZ 3.28Å
92	G	85.9	Confident	92.2	Very high	17 Å²	17	41.1 Å²	41.1	18%	0.175	22%	0.223	C	C	.	.	S	Bend	trans	-62.1	-17.5	170.8	0	0	0	0	0	113.5	R467	G92-R467 VanDerWaalsContact C-NH1 3.3Å; G92-R467 PolarHBondContact O-NH1 3.28Å
93	D	89.9	Confident	91.4	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.032	20%	0.195	C	C	.	.	S	Bend	trans	-123.1	155.9	-173.3	-56.5	-77.9	0	0	0	110.2	H75 S91 I95 C119 N121 K125 R467	H75-D93 VanDerWaalsContact ND1-C 3.26Å; H75-D93 PolarHBondContact ND1-O 3.43Å; S91-D93 VanDerWaalsContact CB-O 3.26Å; S91-D93 WeakPolarHBondContact CB-O 3.46Å; S91-D93 PolarHBondContact O-N 3.04Å; S91-D93 VanDerWaalsContact O-N 3.16Å; S91-D93 PolarHBondContact OG-N 3.29Å; S91-D93 PolarHBondContact OG-O 3.46Å; D93-I95 PolarHBondContact O-N 2.73Å; D93-C119 HydrophobicContact CB-CB 4.11Å; D93-N121 HydrophobicContact CB-CB 4.23Å; D93-N121 WeakPolarHBondContact OD1-CB 3.41Å; D93-N121 PolarHBondContact OD2-ND2 2.92Å; D93-K125 IonicContact OD2-NZ 2.77Å; D93-K125 PolarHBondContact OD2-NZ 3.48Å; D93-R467 WeakPolarHBondContact OD1-CD 3.29Å; D93-R467 IonicContact OD1-CZ 2.72Å; D93-R467 IonicContact OD1-NE 3.86Å; D93-R467 PolarHBondContact OD1-NE 3.43Å; D93-R467 VanDerWaalsContact OD1-NE 3.15Å; D93-R467 IonicContact OD1-NH1 3.87Å; D93-R467 PolarHBondContact OD1-NH1 3.44Å; D93-R467 IonicContact OD2-CZ 2.76Å; D93-R467 IonicContact OD2-NE 3.58Å; D93-R467 IonicContact OD2-NH1 3.93Å; D93-R467 IonicContact OD2-NH2 3.63Å
94	A	92.2	Very high	90.3	Very high	15 Å²	15	36 Å²	36	12%	0.124	20%	0.199	C	C	.	.			trans	-63.4	131	-179.9	0	0	0	0	0	110.7	S74 H75 C119 E120	S74-A94 CarbonylContact O-C 3.6Å; S74-A94 WeakPolarHBondContact O-CA 3.26Å; H75-A94 PolarHBondContact CE1-N 3.41Å; H75-A94 VanDerWaalsContact CE1-N 3.33Å; A94-C119 CarbonylContact O-C 3.59Å; A94-C119 VanDerWaalsContact O-CA 3.29Å; A94-C119 WeakPolarHBondContact O-CA 3.2Å; A94-E120 HydrophobicContact CB-CB 4.08Å; A94-E120 WeakPolarHBondContact CB-OE2 3.18Å; A94-E120 PolarHBondContact O-N 2.88Å
95	I	95.7	Very high	88.8	Confident	5 Å²	5	33 Å²	33	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	118.8	174.7	-55	171.3	0	0	0	107.1	C72 S74 M77 D93 L117	C72-I95 HydrophobicContact CB-CD1 4.47Å; C72-I95 HydrophobicContact CB-CG2 4.02Å; S74-I95 PolarHBondContact O-N 2.82Å; M77-I95 HydrophobicContact CB-CD1 4.05Å; D93-I95 PolarHBondContact O-N 2.73Å; I95-L117 HydrophobicContact CD1-CD1 4.11Å; I95-L117 HydrophobicContact CG2-CB 4.48Å; I95-L117 HydrophobicContact CG2-CD2 4.33Å
96	L	95.3	Very high	87.1	Confident	49 Å²	49	33.7 Å²	33.7	26%	0.257	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-39.5	-176.8	-61.8	176.4	0	0	0	111.2	A118 E120 A141 P142 F168	L96-A118 PolarHBondContact N-O 3.49Å; L96-E120 HydrophobicContact CD1-CB 3.96Å; L96-E120 HydrophobicContact CD1-CG 4.45Å; L96-E120 HydrophobicContact CG-CB 4.32Å; L96-A141 HydrophobicContact CD1-CB 4.39Å; L96-P142 WeakPolarHBondContact CB-O 3.23Å; L96-P142 WeakPolarHBondContact CD1-O 3.02Å; L96-F168 HydrophobicContact CD1-CE2 3.84Å; L96-F168 HydrophobicContact CD1-CZ 4.43Å
97	D	97	Very high	85.3	Confident	29 Å²	29	39.1 Å²	39.1	16%	0.155	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	166.1	175.9	-159.4	11.9	0	0	0	111.9	A118 I144 L145	D97-A118 HydrophobicContact CB-CB 4.12Å; D97-A118 PolarHBondContact O-N 3.23Å; D97-I144 WeakPolarHBondContact OD2-CA 3.44Å; D97-L145 PolarHBondContact OD2-N 2.82Å
98	V	97	Very high	83.3	Confident	8 Å²	8	43.6 Å²	43.6	5%	0.048	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	138.1	-178.5	60.2	0	0	0	0	112	C61 A63 V70 I115 V116 L117	C61-V98 HydrophobicContact CB-CG1 4.1Å; A63-V98 HydrophobicContact CB-CG1 4.04Å; A63-V98 HydrophobicContact CB-CG2 4.33Å; V70-V98 HydrophobicContact CB-CG2 4.49Å; V70-V98 HydrophobicContact CG1-CG2 3.74Å; V98-I115 HydrophobicContact CG2-CG2 3.81Å; V98-V116 WeakPolarHBondContact CA-O 3.08Å; V98-L117 HydrophobicContact CB-CD2 4.25Å; V98-L117 HydrophobicContact CG2-CD2 3.78Å
99	A	94.5	Very high	81.6	Confident	10 Å²	10	51.2 Å²	51.2	8%	0.083	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.2	167.3	0	0	0	0	0	110	F101 I115 V116 L145 L163	A99-F101 HydrophobicContact CB-CE1 4.47Å; A99-I115 WeakPolarHBondContact O-CA 3.23Å; A99-V116 PolarHBondContact N-O 3.24Å; A99-V116 PolarHBondContact O-N 3.21Å; A99-L145 HydrophobicContact CB-CB 4.31Å; A99-L145 HydrophobicContact CB-CD1 4.08Å; A99-L163 HydrophobicContact CB-CD1 4.18Å; A99-L163 HydrophobicContact CB-CD2 3.87Å
100	C	92.1	Very high	80.4	Confident	8 Å²	8	51 Å²	51	5%	0.054	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.2	172.3	71.2	0	0	0	0	111.2	A63 V70 L113 S114 I115	A63-C100 HydrophobicContact CB-CB 4.09Å; A63-C100 WeakPolarHBondContact CB-SG 3.41Å; V70-C100 HydrophobicContact CG2-CB 3.91Å; C100-L113 HydrophobicContact CB-CD1 4.14Å; C100-S114 WeakPolarHBondContact CA-O 3.5Å; C100-I115 HydrophobicContact CB-CG1 4.23Å
101	F	87.9	Confident	79.5	Confident	3 Å²	3	54.2 Å²	54.2	1%	0.013	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	163.3	179.3	44.9	-96.7	0	0	0	110.7	A99 T103 S114 V116 L147 R161 L163 V177	A99-F101 HydrophobicContact CB-CE1 4.47Å; F101-T103 HydrophobicContact CD2-CG2 3.8Å; F101-T103 HydrophobicContact CE2-CG2 3.66Å; F101-S114 PolarHBondContact N-O 2.99Å; F101-S114 VanDerWaalsContact N-O 3.09Å; F101-S114 PolarHBondContact O-N 2.93Å; F101-V116 HydrophobicContact CE1-CG2 4.21Å; F101-V116 HydrophobicContact CZ-CG2 4.04Å; F101-L147 HydrophobicContact CB-CD2 3.97Å; F101-L147 HydrophobicContact CD1-CD1 3.78Å; F101-L147 HydrophobicContact CD1-CD2 4.12Å; F101-L147 HydrophobicContact CE1-CD1 4.2Å; F101-L147 HydrophobicContact CG-CD1 4.29Å; F101-L147 HydrophobicContact CG-CD2 4.4Å; F101-R161 HydrophobicContact CD2-CB 3.86Å; F101-R161 HydrophobicContact CD2-CG 3.51Å; F101-R161 HydrophobicContact CE2-CB 3.58Å; F101-R161 HydrophobicContact CE2-CG 3.68Å; F101-R161 HydrophobicContact CG-CB 4.43Å; F101-R161 HydrophobicContact CG-CG 4.2Å; F101-R161 HydrophobicContact CZ-CB 3.97Å; F101-L163 HydrophobicContact CD1-CD2 4.46Å; F101-L163 HydrophobicContact CE1-CD1 4.03Å; F101-L163 HydrophobicContact CE1-CD2 3.9Å; F101-L163 HydrophobicContact CE1-CG 4.1Å; F101-L163 HydrophobicContact CZ-CD1 4.47Å; F101-V177 HydrophobicContact CE2-CB 4.17Å; F101-V177 HydrophobicContact CE2-CG1 4.02Å; F101-V177 HydrophobicContact CZ-CB 3.71Å; F101-V177 HydrophobicContact CZ-CG1 3.67Å; F101-V177 HydrophobicContact CZ-CG2 4.1Å
102	E	84.3	Confident	79	Confident	65 Å²	65	57.4 Å²	57.4	30%	0.304	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	127.6	175.1	-68.4	-177	165.2	0	0	111.5	R111 E112 R161	E102-R111 HydrophobicContact CB-CB 4.19Å; E102-R111 HydrophobicContact CG-CB 4.4Å; E102-R111 WeakPolarHBondContact OE2-CD 3.3Å; E102-R111 IonicContact OE2-CZ 3.2Å; E102-R111 IonicContact OE2-NE 3.88Å; E102-R111 IonicContact OE2-NH1 3.07Å; E102-R111 PolarHBondContact OE2-NH1 3.28Å; E102-E112 WeakPolarHBondContact CA-O 3.05Å; E102-R161 PolarHBondContact O-NE 3.18Å; E102-R161 PolarHBondContact O-NH2 3.47Å; E102-R161 VanDerWaalsContact O-NH2 3.12Å
103	T	76.7	Confident	79.1	Confident	4 Å²	4	58 Å²	58	3%	0.025	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	161.7	169.2	55.8	0	0	0	0	110.9	F101 R111 E112 S114 R161	F101-T103 HydrophobicContact CD2-CG2 3.8Å; F101-T103 HydrophobicContact CE2-CG2 3.66Å; T103-R111 VanDerWaalsContact O-CA 3.32Å; T103-R111 WeakPolarHBondContact O-CA 3.44Å; T103-E112 PolarHBondContact N-O 3.28Å; T103-E112 PolarHBondContact O-N 3Å; T103-E112 PolarHBondContact OG1-O 3.27Å; T103-S114 VanDerWaalsContact CG2-OG 3.24Å; T103-S114 WeakPolarHBondContact CG2-OG 3.12Å; T103-S114 PolarHBondContact OG1-OG 2.86Å; T103-R161 HydrophobicContact CG2-CG 4.29Å
104	A	68.2	Low	79.2	Confident	48 Å²	48	57.7 Å²	57.7	40%	0.397	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	129.6	173	0	0	0	0	0	109.4
105	A	62.4	Low	79.3	Confident	21 Å²	21	57 Å²	57	17%	0.174	29%	0.288	C	S	.	.			trans	-71.4	136	177.3	0	0	0	0	0	110.6	F107 N108 G110 E112	A105-F107 VanDerWaalsContact C-N 3.26Å; A105-F107 PolarHBondContact O-N 3.07Å; A105-N108 HydrophobicContact CB-CB 4.41Å; A105-N108 VanDerWaalsContact O-O 3.09Å; A105-G110 VanDerWaalsContact CB-O 3.27Å; A105-G110 WeakPolarHBondContact CB-O 3.1Å; A105-G110 PolarHBondContact N-O 2.84Å; A105-E112 HydrophobicContact CB-CB 4.48Å
106	E	58.8	Low	79.4	Confident	102 Å²	102	56.7 Å²	56.7	48%	0.477	29%	0.287	S	S	.	.	S	Bend	trans	-63.8	-31	-178	-66.2	-179	176.6	0	0	113.4	S179 S180	E106-S179 WeakPolarHBondContact CG-OG 3.44Å; E106-S179 PolarHBondContact OE1-OG 3.04Å; E106-S180 WeakPolarHBondContact OE1-CB 3.39Å; E106-S180 PolarHBondContact OE1-OG 3.14Å
107	F	55.5	Low	79.5	Confident	177 Å²	177	54.4 Å²	54.4	78%	0.776	27%	0.274	S	S	*	.	S	Bend	trans	-117.7	0.1	-168.1	-64.3	-73.8	0	0	0	114.2	A105	A105-F107 VanDerWaalsContact C-N 3.26Å; A105-F107 PolarHBondContact O-N 3.07Å
108	N	51.6	Low	79.5	Confident	128 Å²	128	53 Å²	53	68%	0.684	27%	0.267	S	S	*	.	S	Bend	trans	-143.8	152.7	178.9	-73.2	-41.8	0	0	0	110.1	A105 G110	A105-N108 HydrophobicContact CB-CB 4.41Å; A105-N108 VanDerWaalsContact O-O 3.09Å; N108-G110 PolarHBondContact O-N 3.38Å
109	E	57.4	Low	79.4	Confident	217 Å²	217	52.6 Å²	52.6	100%	1.014	27%	0.265	S	S	*	.	S	Bend	trans	-67.5	22.5	167.4	-64.6	-177.5	163.5	0	0	112.9
110	G	65.5	Low	79.4	Confident	36 Å²	36	56.2 Å²	56.2	37%	0.371	28%	0.28	S	S	.	.	S	Bend	trans	-97.1	169.6	-179.7	0	0	0	0	0	112	A105 N108	A105-G110 VanDerWaalsContact CB-O 3.27Å; A105-G110 WeakPolarHBondContact CB-O 3.1Å; A105-G110 PolarHBondContact N-O 2.84Å; N108-G110 PolarHBondContact O-N 3.38Å
111	R	71.7	Confident	79.3	Confident	186 Å²	186	56 Å²	56	70%	0.702	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	139.1	169.8	-61.6	-176.3	-175	179.3	-2.7	108.6	E102 T103	E102-R111 HydrophobicContact CB-CB 4.19Å; E102-R111 HydrophobicContact CG-CB 4.4Å; E102-R111 WeakPolarHBondContact OE2-CD 3.3Å; E102-R111 IonicContact OE2-CZ 3.2Å; E102-R111 IonicContact OE2-NE 3.88Å; E102-R111 IonicContact OE2-NH1 3.07Å; E102-R111 PolarHBondContact OE2-NH1 3.28Å; T103-R111 VanDerWaalsContact O-CA 3.32Å; T103-R111 WeakPolarHBondContact O-CA 3.44Å
112	E	80.1	Confident	79.6	Confident	71 Å²	71	56.5 Å²	56.5	33%	0.332	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	141.6	174.2	-167.8	168.5	171.2	0	0	109.3	E102 T103 A105 S114 S128	E102-E112 WeakPolarHBondContact CA-O 3.05Å; T103-E112 PolarHBondContact N-O 3.28Å; T103-E112 PolarHBondContact O-N 3Å; T103-E112 PolarHBondContact OG1-O 3.27Å; A105-E112 HydrophobicContact CB-CB 4.48Å; E112-S114 PolarHBondContact O-N 2.65Å; E112-S128 PolarHBondContact OE1-OG 2.93Å; E112-S128 PolarHBondContact OE2-OG 3.39Å
113	L	87.9	Confident	80.1	Confident	29 Å²	29	53.4 Å²	53.4	15%	0.152	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	111.4	174.8	-174.8	71.6	0	0	0	108.6	Q65 E68 V70 H79 C100 I115	Q65-L113 HydrophobicContact CB-CD1 4.44Å; E68-L113 HydrophobicContact CB-CD1 4.43Å; E68-L113 HydrophobicContact CB-CD2 3.99Å; E68-L113 HydrophobicContact CG-CD1 4.4Å; E68-L113 HydrophobicContact CG-CD2 4.12Å; V70-L113 HydrophobicContact CG2-CD2 4.49Å; H79-L113 WeakPolarHBondContact NE2-CD2 3.49Å; C100-L113 HydrophobicContact CB-CD1 4.14Å; L113-I115 HydrophobicContact CD2-CD1 4.16Å; L113-I115 HydrophobicContact CD2-CG1 4.19Å; L113-I115 HydrophobicContact CG-CG1 4.17Å
114	S	91.2	Very high	81.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	128.4	170.6	-65.4	0	0	0	0	109.1	C100 F101 T103 E112	C100-S114 WeakPolarHBondContact CA-O 3.5Å; F101-S114 PolarHBondContact N-O 2.99Å; F101-S114 VanDerWaalsContact N-O 3.09Å; F101-S114 PolarHBondContact O-N 2.93Å; T103-S114 VanDerWaalsContact CG2-OG 3.24Å; T103-S114 WeakPolarHBondContact CG2-OG 3.12Å; T103-S114 PolarHBondContact OG1-OG 2.86Å; E112-S114 PolarHBondContact O-N 2.65Å
115	I	95.4	Very high	82.4	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.2	177.6	-56.4	172.1	0	0	0	108.4	V70 M77 H79 F87 V98 A99 C100 L113 L117 L127	V70-I115 HydrophobicContact CG1-CD1 4.3Å; V70-I115 HydrophobicContact CG1-CG2 3.98Å; V70-I115 HydrophobicContact CG2-CD1 3.69Å; V70-I115 HydrophobicContact CG2-CG1 4.03Å; M77-I115 HydrophobicContact CE-CD1 3.89Å; M77-I115 HydrophobicContact CE-CG2 4.14Å; M77-I115 HydrophobicContact SD-CD1 4.21Å; H79-I115 HydrophobicContact CB-CD1 4.38Å; F87-I115 HydrophobicContact CZ-CD1 4.02Å; V98-I115 HydrophobicContact CG2-CG2 3.81Å; A99-I115 WeakPolarHBondContact O-CA 3.23Å; C100-I115 HydrophobicContact CB-CG1 4.23Å; L113-I115 HydrophobicContact CD2-CD1 4.16Å; L113-I115 HydrophobicContact CD2-CG1 4.19Å; L113-I115 HydrophobicContact CG-CG1 4.17Å; I115-L117 HydrophobicContact CG2-CD2 3.96Å; I115-L127 HydrophobicContact CB-CB 4.24Å; I115-L127 PolarHBondContact N-O 2.99Å; I115-L127 PolarHBondContact O-N 2.81Å
116	V	96.8	Very high	84	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.3	176.9	-177.7	0	0	0	0	108.8	V98 A99 F101 F124 K125 L126 L145 L163 V177 I182	V98-V116 WeakPolarHBondContact CA-O 3.08Å; A99-V116 PolarHBondContact N-O 3.24Å; A99-V116 PolarHBondContact O-N 3.21Å; F101-V116 HydrophobicContact CE1-CG2 4.21Å; F101-V116 HydrophobicContact CZ-CG2 4.04Å; V116-F124 HydrophobicContact CG1-CB 4.37Å; V116-F124 HydrophobicContact CG1-CD1 4.32Å; V116-K125 WeakPolarHBondContact CA-O 3.36Å; V116-L126 HydrophobicContact CG2-CD1 3.98Å; V116-L145 HydrophobicContact CG1-CD1 4.15Å; V116-L163 HydrophobicContact CB-CD1 3.95Å; V116-L163 HydrophobicContact CG1-CD1 3.96Å; V116-L163 HydrophobicContact CG2-CD1 3.88Å; V116-V177 HydrophobicContact CG2-CG1 3.91Å; V116-V177 HydrophobicContact CG2-CG2 4.09Å; V116-I182 HydrophobicContact CG1-CD1 4.19Å
117	L	97.4	Very high	85.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.9	174.1	-51.3	179.9	0	0	0	109.7	M77 Y89 I95 V98 I115 F124 K125 L127	M77-L117 HydrophobicContact CB-CD1 4.33Å; M77-L117 HydrophobicContact CB-CD2 4.2Å; M77-L117 HydrophobicContact CG-CD2 4.04Å; Y89-L117 HydrophobicContact CD1-CD1 3.83Å; Y89-L117 HydrophobicContact CE1-CD1 4Å; I95-L117 HydrophobicContact CD1-CD1 4.11Å; I95-L117 HydrophobicContact CG2-CB 4.48Å; I95-L117 HydrophobicContact CG2-CD2 4.33Å; V98-L117 HydrophobicContact CB-CD2 4.25Å; V98-L117 HydrophobicContact CG2-CD2 3.78Å; I115-L117 HydrophobicContact CG2-CD2 3.96Å; L117-F124 VanDerWaalsContact O-CA 3.31Å; L117-F124 WeakPolarHBondContact O-CA 3.48Å; L117-K125 HydrophobicContact CB-CB 4.25Å; L117-K125 PolarHBondContact N-O 3.48Å; L117-K125 PolarHBondContact O-N 2.88Å; L117-L127 HydrophobicContact CD1-CD1 3.65Å; L117-L127 HydrophobicContact CG-CD1 4.08Å
118	A	97.5	Very high	87.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	120.3	167.8	0	0	0	0	0	109	L96 D97 F124 P142 L145	L96-A118 PolarHBondContact N-O 3.49Å; D97-A118 HydrophobicContact CB-CB 4.12Å; D97-A118 PolarHBondContact O-N 3.23Å; A118-F124 HydrophobicContact CB-CD1 4.08Å; A118-F124 HydrophobicContact CB-CE1 3.8Å; A118-P142 HydrophobicContact CB-CB 3.92Å; A118-P142 HydrophobicContact CB-CG 3.71Å; A118-L145 HydrophobicContact CB-CD1 3.96Å; A118-L145 HydrophobicContact CB-CG 4.15Å
119	C	95.3	Very high	88.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.9	-173.1	-67.8	0	0	0	0	113.1	D93 A94 N121 H122 S123 P142	D93-C119 HydrophobicContact CB-CB 4.11Å; A94-C119 CarbonylContact O-C 3.59Å; A94-C119 VanDerWaalsContact O-CA 3.29Å; A94-C119 WeakPolarHBondContact O-CA 3.2Å; C119-N121 WeakPolarHBondContact CB-OD1 3.34Å; C119-N121 PolarHBondContact O-N 3Å; C119-N121 VanDerWaalsContact O-N 3.11Å; C119-H122 PolarHBondContact O-N 3.3Å; C119-S123 PolarHBondContact N-O 3.45Å; C119-S123 PolarHBondContact O-N 3.23Å; C119-P142 VanDerWaalsContact O-CD 3.25Å; C119-P142 WeakPolarHBondContact O-CD 3.49Å
120	E	92.7	Very high	90	Very high	86 Å²	86	29.4 Å²	29.4	40%	0.402	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.4	-175.9	-172.1	-177	-169.2	0	0	114.5	A94 L96 H122	A94-E120 HydrophobicContact CB-CB 4.08Å; A94-E120 WeakPolarHBondContact CB-OE2 3.18Å; A94-E120 PolarHBondContact O-N 2.88Å; L96-E120 HydrophobicContact CD1-CB 3.96Å; L96-E120 HydrophobicContact CD1-CG 4.45Å; L96-E120 HydrophobicContact CG-CB 4.32Å; E120-H122 PolarHBondContact O-CD2 3.31Å; E120-H122 PolarHBondContact O-N 3.28Å
121	N	91.3	Very high	91.2	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	24.3	176.6	68.9	-30.3	0	0	0	114.6	D93 C119 S123 R467	D93-N121 HydrophobicContact CB-CB 4.23Å; D93-N121 WeakPolarHBondContact OD1-CB 3.41Å; D93-N121 PolarHBondContact OD2-ND2 2.92Å; C119-N121 WeakPolarHBondContact CB-OD1 3.34Å; C119-N121 PolarHBondContact O-N 3Å; C119-N121 VanDerWaalsContact O-N 3.11Å; N121-S123 VanDerWaalsContact C-N 3.33Å; N121-S123 VanDerWaalsContact CG-OG 3.32Å; N121-S123 PolarHBondContact ND2-OG 2.98Å; N121-S123 PolarHBondContact O-N 3.45Å; N121-S123 WeakPolarHBondContact OD1-CB 3.25Å; N121-S123 PolarHBondContact OD1-OG 3.27Å; N121-R467 HydrophobicContact CB-CB 4.16Å; N121-R467 HydrophobicContact CB-CG 4.2Å
122	H	93.7	Very high	92.2	Very high	12 Å²	12	31 Å²	31	6%	0.056	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	35.6	-176.9	-57.7	-162.5	0	0	0	112.7	C119 E120 E137 I138 S139 A140 A141 D361 R466	C119-H122 PolarHBondContact O-N 3.3Å; E120-H122 PolarHBondContact O-CD2 3.31Å; E120-H122 PolarHBondContact O-N 3.28Å; H122-E137 HydrophobicContact CB-CG 4.27Å; H122-E137 CarbonylContact O-C 3.56Å; H122-E137 VanDerWaalsContact O-CA 3.29Å; H122-E137 WeakPolarHBondContact O-CA 3.44Å; H122-I138 HydrophobicContact CB-CG1 4.49Å; H122-I138 VanDerWaalsContact O-CG1 3.29Å; H122-I138 WeakPolarHBondContact O-CG1 3.33Å; H122-I138 PolarHBondContact O-N 2.66Å; H122-S139 PolarHBondContact CE1-O 3.04Å; H122-S139 PolarHBondContact ND1-O 3.37Å; H122-A140 VanDerWaalsContact CE1-CA 3.45Å; H122-A140 WeakPolarHBondContact CE1-CA 3.01Å; H122-A140 VanDerWaalsContact CG-C 3.49Å; H122-A140 WeakPolarHBondContact ND1-CA 3.33Å; H122-A141 PolarHBondContact CD2-N 3.04Å; H122-A141 PolarHBondContact NE2-N 3.44Å; H122-D361 IonicContact CE1-OD2 3.4Å; H122-D361 PolarHBondContact CE1-OD2 3.07Å; H122-D361 VanDerWaalsContact CE1-OD2 3.23Å; H122-D361 IonicContact ND1-OD2 3.5Å; H122-R466 WeakPolarHBondContact CE1-CD 3.45Å; H122-R466 PolarHBondContact CE1-NE 2.97Å; H122-R466 PolarHBondContact ND1-NE 3.49Å; H122-R466 WeakPolarHBondContact NE2-CD 3.42Å
123	S	95.3	Very high	92.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	155.9	-177	76.5	0	0	0	0	114.3	C119 N121 E135 I136	C119-S123 PolarHBondContact N-O 3.45Å; C119-S123 PolarHBondContact O-N 3.23Å; N121-S123 VanDerWaalsContact C-N 3.33Å; N121-S123 VanDerWaalsContact CG-OG 3.32Å; N121-S123 PolarHBondContact ND2-OG 2.98Å; N121-S123 PolarHBondContact O-N 3.45Å; N121-S123 WeakPolarHBondContact OD1-CB 3.25Å; N121-S123 PolarHBondContact OD1-OG 3.27Å; S123-E135 PolarHBondContact OG-OE1 3.34Å; S123-I136 CarbonylContact C-O 3.51Å; S123-I136 WeakPolarHBondContact CA-O 3.49Å; S123-I136 VanDerWaalsContact CB-O 3.27Å; S123-I136 WeakPolarHBondContact CB-O 3.5Å
124	F	97.2	Very high	93.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130	163.9	-64.9	-67.8	0	0	0	109.8	V116 L117 A118 E135 I136 I138 P142 L145 Y165 L175 I182	V116-F124 HydrophobicContact CG1-CB 4.37Å; V116-F124 HydrophobicContact CG1-CD1 4.32Å; L117-F124 VanDerWaalsContact O-CA 3.31Å; L117-F124 WeakPolarHBondContact O-CA 3.48Å; A118-F124 HydrophobicContact CB-CD1 4.08Å; A118-F124 HydrophobicContact CB-CE1 3.8Å; F124-E135 VanDerWaalsContact O-CA 3.3Å; F124-E135 WeakPolarHBondContact O-CA 3.26Å; F124-I136 HydrophobicContact CB-CG1 4.08Å; F124-I136 HydrophobicContact CD2-CD1 4.29Å; F124-I136 HydrophobicContact CD2-CG1 4.37Å; F124-I136 PolarHBondContact N-O 2.84Å; F124-I136 PolarHBondContact O-N 2.72Å; F124-I136 VanDerWaalsContact O-N 3.1Å; F124-I138 HydrophobicContact CD2-CD1 4.37Å; F124-I138 HydrophobicContact CD2-CG2 3.9Å; F124-I138 HydrophobicContact CE2-CD1 3.55Å; F124-I138 HydrophobicContact CE2-CG1 4.13Å; F124-I138 HydrophobicContact CE2-CG2 3.77Å; F124-I138 HydrophobicContact CZ-CD1 3.88Å; F124-P142 HydrophobicContact CD1-CB 4.47Å; F124-P142 HydrophobicContact CD1-CG 4.3Å; F124-P142 HydrophobicContact CE1-CB 3.44Å; F124-P142 VanDerWaalsContact CE1-CB 3.44Å; F124-P142 HydrophobicContact CE1-CG 3.7Å; F124-P142 HydrophobicContact CE2-CB 4.46Å; F124-P142 HydrophobicContact CZ-CB 3.44Å; F124-P142 VanDerWaalsContact CZ-CB 3.44Å; F124-P142 HydrophobicContact CZ-CG 3.96Å; F124-L145 HydrophobicContact CD1-CD2 4.21Å; F124-L145 HydrophobicContact CE1-CD2 3.53Å; F124-L145 HydrophobicContact CE1-CG 4.28Å; F124-L145 HydrophobicContact CZ-CD2 4.12Å; F124-Y165 AromaticContact CE2-CD1 3.98Å; F124-Y165 HydrophobicContact CE2-CD1 3.98Å; F124-Y165 HydrophobicContact CE2-CD2 4.11Å; F124-Y165 HydrophobicContact CE2-CE1 4.11Å; F124-Y165 HydrophobicContact CE2-CE2 4.27Å; F124-Y165 AromaticContact CE2-CG 3.95Å; F124-Y165 HydrophobicContact CE2-CG 3.95Å; F124-Y165 AromaticContact CZ-CD1 3.99Å; F124-Y165 HydrophobicContact CZ-CD1 3.99Å; F124-Y165 AromaticContact CZ-CD2 3.79Å; F124-Y165 HydrophobicContact CZ-CD2 3.79Å; F124-Y165 HydrophobicContact CZ-CE2 4.38Å; F124-Y165 AromaticContact CZ-CG 3.55Å; F124-Y165 HydrophobicContact CZ-CG 3.55Å; F124-L175 HydrophobicContact CB-CD1 4.42Å; F124-L175 HydrophobicContact CD1-CD1 3.92Å; F124-L175 HydrophobicContact CD2-CD1 3.38Å; F124-L175 HydrophobicContact CD2-CD2 3.82Å; F124-L175 HydrophobicContact CD2-CG 4.2Å; F124-L175 HydrophobicContact CE1-CD1 3.96Å; F124-L175 HydrophobicContact CE2-CD1 3.38Å; F124-L175 HydrophobicContact CE2-CD2 3.84Å; F124-L175 HydrophobicContact CE2-CG 4.06Å; F124-L175 HydrophobicContact CG-CD1 3.65Å; F124-L175 HydrophobicContact CZ-CD1 3.69Å; F124-I182 HydrophobicContact CB-CD1 3.61Å; F124-I182 HydrophobicContact CG-CD1 4.39Å
125	K	96	Very high	93.2	Very high	6 Å²	6	32 Å²	32	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.6	177.7	-68	173.7	-173	169.7	0	109.6	Y89 S91 D93 V116 L117 L132 E135	Y89-K125 HydrophobicContact CE1-CD 4.48Å; S91-K125 PolarHBondContact OG-NZ 3.28Å; D93-K125 IonicContact OD2-NZ 2.77Å; D93-K125 PolarHBondContact OD2-NZ 3.48Å; V116-K125 WeakPolarHBondContact CA-O 3.36Å; L117-K125 HydrophobicContact CB-CB 4.25Å; L117-K125 PolarHBondContact N-O 3.48Å; L117-K125 PolarHBondContact O-N 2.88Å; K125-L132 HydrophobicContact CB-CD1 3.63Å; K125-L132 HydrophobicContact CG-CD1 4Å; K125-E135 WeakPolarHBondContact CE-OE1 3.16Å; K125-E135 HydrophobicContact CG-CB 4.43Å; K125-E135 HydrophobicContact CG-CG 3.79Å; K125-E135 IonicContact NZ-OE1 3.84Å
126	L	96.2	Very high	93.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	120.6	173.7	174.9	62.5	0	0	0	109.8	V116 A133 A134 V177 C181	V116-L126 HydrophobicContact CG2-CD1 3.98Å; L126-A133 HydrophobicContact CD2-CB 4.36Å; L126-A133 HydrophobicContact CG-CB 4.24Å; L126-A133 PolarHBondContact O-N 2.76Å; L126-A134 HydrophobicContact CB-CB 4.35Å; L126-A134 PolarHBondContact N-O 3.21Å; L126-A134 PolarHBondContact O-N 2.87Å; L126-V177 HydrophobicContact CD1-CG1 3.65Å; L126-V177 HydrophobicContact CD2-CG1 4.04Å; L126-V177 HydrophobicContact CG-CG1 4.41Å; L126-C181 WeakPolarHBondContact CD2-O 3.49Å
127	L	94.7	Very high	93.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.6	175.5	-64.9	167.4	0	0	0	110.2	M77 Y89 I115 L117 R131 L132	M77-L127 HydrophobicContact CE-CD1 3.17Å; M77-L127 HydrophobicContact CE-CG 4.49Å; Y89-L127 HydrophobicContact CD1-CD1 3.86Å; Y89-L127 HydrophobicContact CD1-CD2 4.41Å; Y89-L127 HydrophobicContact CD2-CD1 4.33Å; Y89-L127 HydrophobicContact CD2-CD2 3.68Å; Y89-L127 HydrophobicContact CE1-CD1 4.4Å; Y89-L127 HydrophobicContact CE1-CD2 4.47Å; Y89-L127 HydrophobicContact CE2-CD2 3.77Å; Y89-L127 HydrophobicContact CG-CD1 3.82Å; Y89-L127 HydrophobicContact CG-CD2 4.02Å; I115-L127 HydrophobicContact CB-CB 4.24Å; I115-L127 PolarHBondContact N-O 2.99Å; I115-L127 PolarHBondContact O-N 2.81Å; L117-L127 HydrophobicContact CD1-CD1 3.65Å; L117-L127 HydrophobicContact CG-CD1 4.08Å; L127-R131 WeakPolarHBondContact CA-O 3.29Å; L127-L132 HydrophobicContact CD2-CB 4.12Å; L127-L132 HydrophobicContact CD2-CD1 4.17Å
128	S	86.9	Confident	92.9	Very high	27 Å²	27	37.3 Å²	37.3	19%	0.189	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	97.5	171	-158.2	0	0	0	0	106.8	E112 K130 R131	E112-S128 PolarHBondContact OE1-OG 2.93Å; E112-S128 PolarHBondContact OE2-OG 3.39Å; S128-K130 PolarHBondContact O-N 3.35Å; S128-R131 PolarHBondContact N-O 3.23Å; S128-R131 PolarHBondContact O-N 2.75Å
129	G	83.2	Confident	92.6	Very high	21 Å²	21	40.5 Å²	40.5	22%	0.216	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	-134.4	-162.6	0	0	0	0	0	112	F87 R131	F87-G129 VanDerWaalsContact CE2-C 3.46Å; F87-G129 WeakPolarHBondContact CE2-O 3.35Å; F87-G129 WeakPolarHBondContact CZ-O 3.33Å; G129-R131 VanDerWaalsContact C-N 3.25Å; G129-R131 PolarHBondContact O-N 3.43Å
130	K	84.6	Confident	92.4	Very high	139 Å²	139	40.8 Å²	40.8	60%	0.604	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-10.5	-179.5	-168.7	173.5	-179.9	177.8	0	113.8	F87 S128	F87-K130 HydrophobicContact CB-CB 4.29Å; F87-K130 HydrophobicContact CB-CD 4.41Å; F87-K130 HydrophobicContact CB-CG 4.41Å; F87-K130 HydrophobicContact CD2-CB 4.02Å; F87-K130 HydrophobicContact CD2-CG 4.32Å; F87-K130 HydrophobicContact CG-CB 4.15Å; S128-K130 PolarHBondContact O-N 3.35Å
131	R	89.1	Confident	92.4	Very high	198 Å²	198	37.2 Å²	37.2	75%	0.747	20%	0.195	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	132.4	-171	-177.8	179.2	173.7	-174.4	-2.6	111	L127 S128 G129 A133	L127-R131 WeakPolarHBondContact CA-O 3.29Å; S128-R131 PolarHBondContact N-O 3.23Å; S128-R131 PolarHBondContact O-N 2.75Å; G129-R131 VanDerWaalsContact C-N 3.25Å; G129-R131 PolarHBondContact O-N 3.43Å; R131-A133 PolarHBondContact O-N 3.09Å
132	L	92.5	Very high	92.6	Very high	58 Å²	58	37 Å²	37	30%	0.304	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	111.5	164.5	-174.8	67.2	0	0	0	109.2	K125 L127	K125-L132 HydrophobicContact CB-CD1 3.63Å; K125-L132 HydrophobicContact CG-CD1 4Å; L127-L132 HydrophobicContact CD2-CB 4.12Å; L127-L132 HydrophobicContact CD2-CD1 4.17Å
133	A	92.9	Very high	92.7	Very high	37 Å²	37	37.8 Å²	37.8	31%	0.306	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-46.1	-178.5	0	0	0	0	0	111.2	L126 R131	L126-A133 HydrophobicContact CD2-CB 4.36Å; L126-A133 HydrophobicContact CG-CB 4.24Å; L126-A133 PolarHBondContact O-N 2.76Å; R131-A133 PolarHBondContact O-N 3.09Å
134	A	94.3	Very high	92.7	Very high	22 Å²	22	39.2 Å²	39.2	18%	0.182	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	155.4	178.3	0	0	0	0	0	111.4	L126 I182	L126-A134 HydrophobicContact CB-CB 4.35Å; L126-A134 PolarHBondContact N-O 3.21Å; L126-A134 PolarHBondContact O-N 2.87Å; A134-I182 HydrophobicContact CB-CG2 3.85Å
135	E	95.2	Very high	92.6	Very high	61 Å²	61	40 Å²	40	29%	0.285	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	135.1	173.6	-172.6	174.2	-171.4	0	0	108.9	S123 F124 K125 L469	S123-E135 PolarHBondContact OG-OE1 3.34Å; F124-E135 VanDerWaalsContact O-CA 3.3Å; F124-E135 WeakPolarHBondContact O-CA 3.26Å; K125-E135 WeakPolarHBondContact CE-OE1 3.16Å; K125-E135 HydrophobicContact CG-CB 4.43Å; K125-E135 HydrophobicContact CG-CG 3.79Å; K125-E135 IonicContact NZ-OE1 3.84Å; E135-L469 HydrophobicContact CG-CD1 3.58Å; E135-L469 HydrophobicContact CG-CD2 4.49Å; E135-L469 WeakPolarHBondContact OE1-CD2 3.47Å
136	I	95.3	Very high	92.5	Very high	36 Å²	36	42.5 Å²	42.5	19%	0.185	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145.8	177.9	58.8	167.3	0	0	0	110.6	S123 F124 L175 I182 N184	S123-I136 CarbonylContact C-O 3.51Å; S123-I136 WeakPolarHBondContact CA-O 3.49Å; S123-I136 VanDerWaalsContact CB-O 3.27Å; S123-I136 WeakPolarHBondContact CB-O 3.5Å; F124-I136 HydrophobicContact CB-CG1 4.08Å; F124-I136 HydrophobicContact CD2-CD1 4.29Å; F124-I136 HydrophobicContact CD2-CG1 4.37Å; F124-I136 PolarHBondContact N-O 2.84Å; F124-I136 PolarHBondContact O-N 2.72Å; F124-I136 VanDerWaalsContact O-N 3.1Å; I136-L175 HydrophobicContact CD1-CD2 3.85Å; I136-I182 HydrophobicContact CB-CG2 4.22Å; I136-I182 HydrophobicContact CD1-CB 4.42Å; I136-I182 HydrophobicContact CD1-CD1 4.11Å; I136-I182 HydrophobicContact CD1-CG1 3.76Å; I136-I182 HydrophobicContact CD1-CG2 4Å; I136-I182 HydrophobicContact CG1-CD1 4.29Å; I136-I182 HydrophobicContact CG1-CG1 4.27Å; I136-I182 HydrophobicContact CG1-CG2 3.74Å; I136-I182 HydrophobicContact CG2-CG2 3.6Å; I136-N184 HydrophobicContact CD1-CB 4.22Å
137	E	93.8	Very high	92.3	Very high	65 Å²	65	45 Å²	45	30%	0.304	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	141.1	171.6	-170.2	164.7	177.2	0	0	110.2	H122 R466 T468 L469	H122-E137 HydrophobicContact CB-CG 4.27Å; H122-E137 CarbonylContact O-C 3.56Å; H122-E137 VanDerWaalsContact O-CA 3.29Å; H122-E137 WeakPolarHBondContact O-CA 3.44Å; E137-R466 IonicContact OE1-CZ 2.91Å; E137-R466 IonicContact OE1-NH1 3.72Å; E137-R466 PolarHBondContact OE1-NH1 3.47Å; E137-R466 VanDerWaalsContact OE1-NH1 3.1Å; E137-R466 IonicContact OE1-NH2 3.73Å; E137-R466 PolarHBondContact OE1-NH2 3.4Å; E137-T468 PolarHBondContact OE1-OG1 2.86Å; E137-T468 VanDerWaalsContact OE1-OG1 3.08Å; E137-T468 PolarHBondContact OE2-OG1 3.46Å; E137-L469 HydrophobicContact CB-CD1 4.22Å; E137-L469 PolarHBondContact OE2-N 2.8Å
138	I	93.7	Very high	91.8	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.062	24%	0.235	C	C	.	.			trans	-120.6	178.4	176.5	57.2	156.1	0	0	0	110.8	H122 F124 A140 P142 Y165 T167	H122-I138 HydrophobicContact CB-CG1 4.49Å; H122-I138 VanDerWaalsContact O-CG1 3.29Å; H122-I138 WeakPolarHBondContact O-CG1 3.33Å; H122-I138 PolarHBondContact O-N 2.66Å; F124-I138 HydrophobicContact CD2-CD1 4.37Å; F124-I138 HydrophobicContact CD2-CG2 3.9Å; F124-I138 HydrophobicContact CE2-CD1 3.55Å; F124-I138 HydrophobicContact CE2-CG1 4.13Å; F124-I138 HydrophobicContact CE2-CG2 3.77Å; F124-I138 HydrophobicContact CZ-CD1 3.88Å; I138-A140 WeakPolarHBondContact CD1-O 3.3Å; I138-A140 VanDerWaalsContact CG1-O 3.32Å; I138-A140 WeakPolarHBondContact CG1-O 3.43Å; I138-A140 PolarHBondContact O-N 3.42Å; I138-P142 HydrophobicContact CD1-CB 4.08Å; I138-P142 HydrophobicContact CD1-CG 4.27Å; I138-Y165 HydrophobicContact CD1-CD2 4.08Å; I138-Y165 HydrophobicContact CD1-CE2 3.66Å; I138-T167 HydrophobicContact CD1-CG2 4.06Å
139	S	89.7	Confident	91.1	Very high	66 Å²	66	48.8 Å²	48.8	46%	0.462	26%	0.258	S	S	.	.	S	Bend	trans	-69.9	-31	-171.2	90	0	0	0	0	114.2	H122 E187	H122-S139 PolarHBondContact CE1-O 3.04Å; H122-S139 PolarHBondContact ND1-O 3.37Å; S139-E187 WeakPolarHBondContact CB-OE1 3.22Å; S139-E187 PolarHBondContact OG-OE1 2.97Å
140	A	91.7	Very high	90.1	Very high	6 Å²	6	50.6 Å²	50.6	5%	0.05	26%	0.262	C	S	.	.	S	Bend	trans	-146.5	161	-174.2	0	0	0	0	0	111.6	H122 I138 T167 A169	H122-A140 VanDerWaalsContact CE1-CA 3.45Å; H122-A140 WeakPolarHBondContact CE1-CA 3.01Å; H122-A140 VanDerWaalsContact CG-C 3.49Å; H122-A140 WeakPolarHBondContact ND1-CA 3.33Å; I138-A140 WeakPolarHBondContact CD1-O 3.3Å; I138-A140 VanDerWaalsContact CG1-O 3.32Å; I138-A140 WeakPolarHBondContact CG1-O 3.43Å; I138-A140 PolarHBondContact O-N 3.42Å; A140-T167 HydrophobicContact CB-CG2 4.19Å; A140-A169 HydrophobicContact CB-CB 3.45Å; A140-A169 VanDerWaalsContact CB-CB 3.45Å
141	A	93.1	Very high	88.6	Confident	11 Å²	11	50.2 Å²	50.2	9%	0.091	27%	0.266	C	S	.	.			trans	-57.4	125.6	177.4	0	0	0	0	0	110.7	L96 H122 T167 F168	L96-A141 HydrophobicContact CD1-CB 4.39Å; H122-A141 PolarHBondContact CD2-N 3.04Å; H122-A141 PolarHBondContact NE2-N 3.44Å; A141-T167 CarbonylContact O-C 3.57Å; A141-T167 VanDerWaalsContact O-CA 3.22Å; A141-T167 WeakPolarHBondContact O-CA 3.18Å; A141-T167 VanDerWaalsContact O-CB 3.3Å; A141-T167 WeakPolarHBondContact O-CB 3.24Å; A141-F168 HydrophobicContact CB-CB 4.34Å; A141-F168 HydrophobicContact CB-CD2 3.99Å; A141-F168 HydrophobicContact CB-CG 4.28Å; A141-F168 WeakPolarHBondContact O-CD2 3.22Å; A141-F168 PolarHBondContact O-N 2.88Å
142	P	95.4	Very high	86.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	135.5	175.4	29.6	-32.2	0	0	0	110.8	L96 A118 C119 F124 I138	L96-P142 WeakPolarHBondContact CB-O 3.23Å; L96-P142 WeakPolarHBondContact CD1-O 3.02Å; A118-P142 HydrophobicContact CB-CB 3.92Å; A118-P142 HydrophobicContact CB-CG 3.71Å; C119-P142 VanDerWaalsContact O-CD 3.25Å; C119-P142 WeakPolarHBondContact O-CD 3.49Å; F124-P142 HydrophobicContact CD1-CB 4.47Å; F124-P142 HydrophobicContact CD1-CG 4.3Å; F124-P142 HydrophobicContact CE1-CB 3.44Å; F124-P142 VanDerWaalsContact CE1-CB 3.44Å; F124-P142 HydrophobicContact CE1-CG 3.7Å; F124-P142 HydrophobicContact CE2-CB 4.46Å; F124-P142 HydrophobicContact CZ-CB 3.44Å; F124-P142 VanDerWaalsContact CZ-CB 3.44Å; F124-P142 HydrophobicContact CZ-CG 3.96Å; I138-P142 HydrophobicContact CD1-CB 4.08Å; I138-P142 HydrophobicContact CD1-CG 4.27Å
143	N	95.2	Very high	84.2	Confident	28 Å²	28	50.6 Å²	50.6	15%	0.15	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-34.7	179	-171.6	57.5	0	0	0	113.1	G166 F168 V196 I197 N198	N143-G166 PolarHBondContact N-O 2.86Å; N143-F168 HydrophobicContact CB-CD2 3.65Å; N143-F168 HydrophobicContact CB-CE2 3.5Å; N143-F168 WeakPolarHBondContact OD1-CE2 3.49Å; N143-F168 WeakPolarHBondContact OD1-CZ 3.46Å; N143-V196 HydrophobicContact CB-CG1 4.04Å; N143-I197 PolarHBondContact ND2-O 2.81Å; N143-N198 PolarHBondContact ND2-OD1 3.22Å
144	I	96.1	Very high	81.9	Confident	31 Å²	31	53.3 Å²	53.3	16%	0.159	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	143.5	-176.4	-172.3	166.8	0	0	0	111.1	D97 Y165 G166 I197 N198 I200	D97-I144 WeakPolarHBondContact OD2-CA 3.44Å; I144-Y165 VanDerWaalsContact O-CA 3.25Å; I144-Y165 WeakPolarHBondContact O-CA 3.33Å; I144-G166 PolarHBondContact N-O 3.42Å; I144-G166 PolarHBondContact O-N 3.42Å; I144-I197 HydrophobicContact CG2-CG2 4.05Å; I144-N198 WeakPolarHBondContact CD1-O 3.49Å; I144-I200 HydrophobicContact CG2-CD1 3.85Å; I144-I200 HydrophobicContact CG2-CG1 3.9Å
145	L	95.9	Very high	79.5	Confident	17 Å²	17	58.3 Å²	58.3	9%	0.089	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	139.7	171.8	-70.9	174.3	0	0	0	110.1	D97 A99 V116 A118 F124 L163 V164 L175	D97-L145 PolarHBondContact OD2-N 2.82Å; A99-L145 HydrophobicContact CB-CB 4.31Å; A99-L145 HydrophobicContact CB-CD1 4.08Å; V116-L145 HydrophobicContact CG1-CD1 4.15Å; A118-L145 HydrophobicContact CB-CD1 3.96Å; A118-L145 HydrophobicContact CB-CG 4.15Å; F124-L145 HydrophobicContact CD1-CD2 4.21Å; F124-L145 HydrophobicContact CE1-CD2 3.53Å; F124-L145 HydrophobicContact CE1-CG 4.28Å; F124-L145 HydrophobicContact CZ-CD2 4.12Å; L145-L163 HydrophobicContact CD2-CD1 4.31Å; L145-V164 CarbonylContact C-O 3.56Å; L145-L175 HydrophobicContact CD2-CD1 4.34Å
146	Y	94	Very high	76.8	Confident	57 Å²	57	63.3 Å²	63.3	22%	0.224	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	122.7	174.5	179.1	-89.4	0	0	0	110	I148 L163 V164 I200 C202	Y146-I148 HydrophobicContact CD1-CG1 4.33Å; Y146-I148 HydrophobicContact CE1-CG1 4.37Å; Y146-L163 CarbonylContact O-C 3.6Å; Y146-L163 WeakPolarHBondContact O-CA 3.32Å; Y146-V164 PolarHBondContact N-O 3.47Å; Y146-V164 PolarHBondContact O-N 2.96Å; Y146-I200 HydrophobicContact CD1-CG2 4.41Å; Y146-I200 VanDerWaalsContact CD2-O 3.25Å; Y146-I200 WeakPolarHBondContact CD2-O 3.33Å; Y146-I200 HydrophobicContact CG-CG2 4.01Å; Y146-C202 HydrophobicContact CD1-CB 4.44Å; Y146-C202 HydrophobicContact CE1-CB 3.66Å; Y146-C202 PolarHBondContact OH-N 3.17Å; Y146-C202 PolarHBondContact OH-O 2.91Å
147	L	90.5	Very high	74.6	Confident	54 Å²	54	69.2 Å²	69.2	28%	0.283	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	122.1	175.7	-180	65.9	0	0	0	110.5	F101 S149 R161 L163	F101-L147 HydrophobicContact CB-CD2 3.97Å; F101-L147 HydrophobicContact CD1-CD1 3.78Å; F101-L147 HydrophobicContact CD1-CD2 4.12Å; F101-L147 HydrophobicContact CE1-CD1 4.2Å; F101-L147 HydrophobicContact CG-CD1 4.29Å; F101-L147 HydrophobicContact CG-CD2 4.4Å; L147-S149 PolarHBondContact O-N 3.43Å; L147-R161 HydrophobicContact CD1-CB 4.44Å; L147-L163 HydrophobicContact CB-CD2 3.83Å; L147-L163 HydrophobicContact CD1-CD2 3.66Å; L147-L163 HydrophobicContact CG-CD2 4.36Å
148	I	84.4	Confident	72.8	Confident	9 Å²	9	68.4 Å²	68.4	5%	0.046	37%	0.373	C	S	.	.			trans	-76.7	112.2	177.1	-59.9	160.8	0	0	0	109.2	Y146 M150 L162 V164 L211 Y227	Y146-I148 HydrophobicContact CD1-CG1 4.33Å; Y146-I148 HydrophobicContact CE1-CG1 4.37Å; I148-M150 HydrophobicContact CB-CE 4Å; I148-M150 HydrophobicContact CG2-CE 3.48Å; I148-M150 VanDerWaalsContact CG2-CE 3.48Å; I148-M150 HydrophobicContact CG2-SD 3.96Å; I148-M150 PolarHBondContact O-N 3.44Å; I148-L162 HydrophobicContact CD1-CB 3.82Å; I148-L162 PolarHBondContact N-O 2.85Å; I148-V164 HydrophobicContact CD1-CG2 3.58Å; I148-V164 HydrophobicContact CG1-CG2 3.89Å; I148-L211 HydrophobicContact CG2-CD1 4.14Å; I148-Y227 HydrophobicContact CD1-CE1 3.64Å; I148-Y227 WeakPolarHBondContact CD1-OH 3.48Å; I148-Y227 HydrophobicContact CG1-CE1 4.48Å
149	S	73	Confident	71.4	Confident	96 Å²	96	75.2 Å²	75.2	67%	0.671	41%	0.405	S	S	*	.			trans	-71.5	109.8	170.2	-64	0	0	0	0	110.1	L147	L147-S149 PolarHBondContact O-N 3.43Å
150	M	62	Low	70.8	Confident	59 Å²	59	74.5 Å²	74.5	29%	0.291	40%	0.396	S	S	.	.			trans	-82.6	128.7	171.7	-58.9	-61.8	171.5	0	0	109.1	I148 A152 L162 I229	I148-M150 HydrophobicContact CB-CE 4Å; I148-M150 HydrophobicContact CG2-CE 3.48Å; I148-M150 VanDerWaalsContact CG2-CE 3.48Å; I148-M150 HydrophobicContact CG2-SD 3.96Å; I148-M150 PolarHBondContact O-N 3.44Å; M150-A152 PolarHBondContact O-N 2.8Å; M150-L162 HydrophobicContact CE-CB 4.31Å; M150-L162 HydrophobicContact CE-CD1 3.72Å; M150-L162 HydrophobicContact CE-CG 4.27Å; M150-I229 HydrophobicContact CE-CB 4.29Å; M150-I229 HydrophobicContact CE-CD1 4.09Å; M150-I229 HydrophobicContact CE-CG1 3.92Å; M150-I229 HydrophobicContact CE-CG2 3.4Å; M150-I229 VanDerWaalsContact CE-CG2 3.4Å; M150-I229 HydrophobicContact SD-CD1 3.43Å; M150-I229 WeakPolarHBondContact SD-CD1 3.36Å; M150-I229 HydrophobicContact SD-CG1 3.96Å; M150-I229 HydrophobicContact SD-CG2 3.89Å
151	N	53	Low	70.5	Confident	132 Å²	132	78.7 Å²	78.7	71%	0.706	41%	0.41	S	S	*	.			trans	-53.1	139.7	174.1	-75.6	-18.6	0	0	0	110.3	E153 T154	N151-E153 PolarHBondContact O-N 3.4Å; N151-T154 PolarHBondContact O-N 3Å; N151-T154 PolarHBondContact O-OG1 3.37Å; N151-T154 VanDerWaalsContact O-OG1 3.08Å
152	A	44.4	Very low	70.4	Confident	69 Å²	69	78.5 Å²	78.5	57%	0.57	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-53.7	-24.5	-176.6	0	0	0	0	0	113.8	M150 T154 Q155	M150-A152 PolarHBondContact O-N 2.8Å; A152-T154 VanDerWaalsContact C-N 3.33Å; A152-T154 PolarHBondContact O-N 2.93Å; A152-Q155 VanDerWaalsContact O-CB 3.26Å; A152-Q155 WeakPolarHBondContact O-CB 3.5Å; A152-Q155 WeakPolarHBondContact O-CG 3.36Å; A152-Q155 PolarHBondContact O-N 3.4Å
153	E	44.2	Very low	70.3	Confident	195 Å²	195	78.5 Å²	78.5	91%	0.911	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-73.6	-20.5	-179.6	-62	-173	167.8	0	0	113.9	N151	N151-E153 PolarHBondContact O-N 3.4Å
154	T	45.5	Very low	70.2	Confident	94 Å²	94	77.2 Å²	77.2	58%	0.577	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-100.2	14.3	171.7	49.6	0	0	0	0	112.9	N151 A152 E156	N151-T154 PolarHBondContact O-N 3Å; N151-T154 PolarHBondContact O-OG1 3.37Å; N151-T154 VanDerWaalsContact O-OG1 3.08Å; A152-T154 VanDerWaalsContact C-N 3.33Å; A152-T154 PolarHBondContact O-N 2.93Å; T154-E156 PolarHBondContact O-N 2.9Å
155	Q	43.4	Very low	70.2	Confident	127 Å²	127	75.7 Å²	75.7	59%	0.593	39%	0.393	S	S	*	.			trans	-69.4	49	168.9	-69.8	176.7	-0.2	0	0	112.4	A152 L157	A152-Q155 VanDerWaalsContact O-CB 3.26Å; A152-Q155 WeakPolarHBondContact O-CB 3.5Å; A152-Q155 WeakPolarHBondContact O-CG 3.36Å; A152-Q155 PolarHBondContact O-N 3.4Å; Q155-L157 PolarHBondContact O-N 3.14Å
156	E	39.6	Very low	70.2	Confident	166 Å²	166	74.9 Å²	74.9	78%	0.776	39%	0.389	S	S	*	.	S	Bend	trans	-60.7	118.1	140.6	-74	-169.3	166	0	0	105	T154 T158	T154-E156 PolarHBondContact O-N 2.9Å; E156-T158 PolarHBondContact O-N 3.46Å
157	L	48.3	Very low	70.3	Confident	159 Å²	159	72.2 Å²	72.2	83%	0.832	38%	0.378	S	S	*	.			trans	-49.9	81.1	175.2	-81.9	140.1	0	0	0	109.2	Q155 E159	Q155-L157 PolarHBondContact O-N 3.14Å; L157-E159 PolarHBondContact O-N 3.03Å
158	T	55	Low	70.3	Confident	49 Å²	49	71 Å²	71	30%	0.301	37%	0.371	S	S	.	.			trans	-76.8	121.4	167.8	43.9	0	0	0	0	104.9	E156 D160	E156-T158 PolarHBondContact O-N 3.46Å; T158-D160 PolarHBondContact O-N 3.19Å; T158-D160 VanDerWaalsContact O-N 3.15Å
159	E	64.1	Low	70.5	Confident	154 Å²	154	71.3 Å²	71.3	72%	0.72	38%	0.375	S	S	*	.	S	Bend	trans	-56.5	-27.6	-179.1	-66.3	178.1	163.2	0	0	110.8	L157	L157-E159 PolarHBondContact O-N 3.03Å
160	D	77.5	Confident	71.3	Confident	51 Å²	51	66.8 Å²	66.8	27%	0.273	34%	0.343	S	S	.	.			trans	-101.5	136.1	-178.9	-50.8	-29.7	0	0	0	113.3	T158 A176 V177 G178	T158-D160 PolarHBondContact O-N 3.19Å; T158-D160 VanDerWaalsContact O-N 3.15Å; D160-A176 HydrophobicContact CB-CB 4.35Å; D160-V177 CarbonylContact C-O 3.56Å; D160-V177 VanDerWaalsContact CA-O 3.32Å; D160-V177 WeakPolarHBondContact CA-O 3.45Å; D160-G178 VanDerWaalsContact OD1-CA 3.32Å; D160-G178 WeakPolarHBondContact OD1-CA 3.35Å
161	R	86.4	Confident	72.8	Confident	94 Å²	94	64.2 Å²	64.2	36%	0.355	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	150.4	166.6	-65.6	-72.4	-173.7	-113.7	-3.1	110.2	F101 E102 T103 L147 A176 V177	F101-R161 HydrophobicContact CD2-CB 3.86Å; F101-R161 HydrophobicContact CD2-CG 3.51Å; F101-R161 HydrophobicContact CE2-CB 3.58Å; F101-R161 HydrophobicContact CE2-CG 3.68Å; F101-R161 HydrophobicContact CG-CB 4.43Å; F101-R161 HydrophobicContact CG-CG 4.2Å; F101-R161 HydrophobicContact CZ-CB 3.97Å; E102-R161 PolarHBondContact O-NE 3.18Å; E102-R161 PolarHBondContact O-NH2 3.47Å; E102-R161 VanDerWaalsContact O-NH2 3.12Å; T103-R161 HydrophobicContact CG2-CG 4.29Å; L147-R161 HydrophobicContact CD1-CB 4.44Å; R161-A176 WeakPolarHBondContact O-CA 3.14Å; R161-V177 PolarHBondContact N-O 2.92Å; R161-V177 PolarHBondContact O-N 3.25Å
162	L	90	Very high	74.6	Confident	8 Å²	8	58 Å²	58	4%	0.042	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127	178.6	-59.3	-178.9	0	0	0	110.9	I148 M150 E174 L175 A176 I229 R230	I148-L162 HydrophobicContact CD1-CB 3.82Å; I148-L162 PolarHBondContact N-O 2.85Å; M150-L162 HydrophobicContact CE-CB 4.31Å; M150-L162 HydrophobicContact CE-CD1 3.72Å; M150-L162 HydrophobicContact CE-CG 4.27Å; L162-E174 HydrophobicContact CD2-CG 4.47Å; L162-L175 WeakPolarHBondContact CA-O 3.19Å; L162-A176 HydrophobicContact CD2-CB 3.9Å; L162-I229 HydrophobicContact CD1-CG2 3.87Å; L162-R230 HydrophobicContact CD1-CG 3.78Å
163	L	93.2	Very high	77	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	139.2	169.7	-63.5	174.2	0	0	0	109.1	A99 F101 V116 L145 Y146 L147 E174 L175 V177	A99-L163 HydrophobicContact CB-CD1 4.18Å; A99-L163 HydrophobicContact CB-CD2 3.87Å; F101-L163 HydrophobicContact CD1-CD2 4.46Å; F101-L163 HydrophobicContact CE1-CD1 4.03Å; F101-L163 HydrophobicContact CE1-CD2 3.9Å; F101-L163 HydrophobicContact CE1-CG 4.1Å; F101-L163 HydrophobicContact CZ-CD1 4.47Å; V116-L163 HydrophobicContact CB-CD1 3.95Å; V116-L163 HydrophobicContact CG1-CD1 3.96Å; V116-L163 HydrophobicContact CG2-CD1 3.88Å; L145-L163 HydrophobicContact CD2-CD1 4.31Å; Y146-L163 CarbonylContact O-C 3.6Å; Y146-L163 WeakPolarHBondContact O-CA 3.32Å; L147-L163 HydrophobicContact CB-CD2 3.83Å; L147-L163 HydrophobicContact CD1-CD2 3.66Å; L147-L163 HydrophobicContact CG-CD2 4.36Å; L163-E174 CarbonylContact O-C 3.52Å; L163-E174 VanDerWaalsContact O-CA 3.3Å; L163-E174 WeakPolarHBondContact O-CA 3.09Å; L163-L175 HydrophobicContact CB-CB 4.27Å; L163-L175 PolarHBondContact N-O 3.37Å; L163-L175 PolarHBondContact O-N 2.63Å; L163-V177 HydrophobicContact CD1-CG2 3.89Å; L163-V177 HydrophobicContact CG-CG2 4.27Å
164	V	94.4	Very high	79.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	140.3	163.2	-179.3	0	0	0	0	107.8	L145 Y146 I148 I172 G173 I200 L213	L145-V164 CarbonylContact C-O 3.56Å; Y146-V164 PolarHBondContact N-O 3.47Å; Y146-V164 PolarHBondContact O-N 2.96Å; I148-V164 HydrophobicContact CD1-CG2 3.58Å; I148-V164 HydrophobicContact CG1-CG2 3.89Å; V164-I172 HydrophobicContact CG1-CG2 3.86Å; V164-G173 CarbonylContact C-O 3.5Å; V164-G173 VanDerWaalsContact CA-O 3.31Å; V164-G173 WeakPolarHBondContact CA-O 3.32Å; V164-G173 WeakPolarHBondContact CG1-O 3.46Å; V164-I200 HydrophobicContact CB-CG2 4.27Å; V164-I200 HydrophobicContact CG1-CD1 3.96Å; V164-I200 HydrophobicContact CG1-CG2 3.89Å; V164-L213 HydrophobicContact CG1-CD1 3.61Å; V164-L213 HydrophobicContact CG1-CG 4.38Å; V164-L213 HydrophobicContact CG2-CD1 4.2Å
165	Y	96.2	Very high	81.6	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	155.2	176	68.6	-89.2	0	0	0	111.9	F124 I138 I144 T167 I172 G173 L175 N184 E187 I200	F124-Y165 AromaticContact CE2-CD1 3.98Å; F124-Y165 HydrophobicContact CE2-CD1 3.98Å; F124-Y165 HydrophobicContact CE2-CD2 4.11Å; F124-Y165 HydrophobicContact CE2-CE1 4.11Å; F124-Y165 HydrophobicContact CE2-CE2 4.27Å; F124-Y165 AromaticContact CE2-CG 3.95Å; F124-Y165 HydrophobicContact CE2-CG 3.95Å; F124-Y165 AromaticContact CZ-CD1 3.99Å; F124-Y165 HydrophobicContact CZ-CD1 3.99Å; F124-Y165 AromaticContact CZ-CD2 3.79Å; F124-Y165 HydrophobicContact CZ-CD2 3.79Å; F124-Y165 HydrophobicContact CZ-CE2 4.38Å; F124-Y165 AromaticContact CZ-CG 3.55Å; F124-Y165 HydrophobicContact CZ-CG 3.55Å; I138-Y165 HydrophobicContact CD1-CD2 4.08Å; I138-Y165 HydrophobicContact CD1-CE2 3.66Å; I144-Y165 VanDerWaalsContact O-CA 3.25Å; I144-Y165 WeakPolarHBondContact O-CA 3.33Å; Y165-T167 HydrophobicContact CD2-CG2 3.79Å; Y165-T167 HydrophobicContact CE2-CG2 3.7Å; Y165-I172 CarbonylContact O-C 3.6Å; Y165-I172 VanDerWaalsContact O-CA 3.3Å; Y165-I172 WeakPolarHBondContact O-CA 3.07Å; Y165-G173 VanDerWaalsContact CD1-O 3.31Å; Y165-G173 WeakPolarHBondContact CD1-O 3.49Å; Y165-G173 PolarHBondContact N-O 2.95Å; Y165-G173 PolarHBondContact O-N 3.48Å; Y165-L175 HydrophobicContact CD1-CD1 4.02Å; Y165-L175 HydrophobicContact CD1-CD2 4.01Å; Y165-L175 HydrophobicContact CD1-CG 3.64Å; Y165-L175 HydrophobicContact CE1-CD2 3.66Å; Y165-L175 HydrophobicContact CE1-CG 3.82Å; Y165-N184 PolarHBondContact OH-ND2 2.85Å; Y165-N184 VanDerWaalsContact OH-ND2 3.08Å; Y165-N184 PolarHBondContact OH-OD1 3.32Å; Y165-E187 PolarHBondContact OH-OE2 3.18Å; Y165-I200 VanDerWaalsContact C-CD1 3.44Å
166	G	95.4	Very high	83.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	143.6	171.9	0	0	0	0	0	110.6	N143 I144 S171	N143-G166 PolarHBondContact N-O 2.86Å; I144-G166 PolarHBondContact N-O 3.42Å; I144-G166 PolarHBondContact O-N 3.42Å; G166-S171 WeakPolarHBondContact CA-O 3.34Å
167	T	95	Very high	86.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	167.1	-174.2	73.8	0	0	0	0	113.5	I138 A140 A141 Y165 A169 G170 S171 I197	I138-T167 HydrophobicContact CD1-CG2 4.06Å; A140-T167 HydrophobicContact CB-CG2 4.19Å; A141-T167 CarbonylContact O-C 3.57Å; A141-T167 VanDerWaalsContact O-CA 3.22Å; A141-T167 WeakPolarHBondContact O-CA 3.18Å; A141-T167 VanDerWaalsContact O-CB 3.3Å; A141-T167 WeakPolarHBondContact O-CB 3.24Å; Y165-T167 HydrophobicContact CD2-CG2 3.79Å; Y165-T167 HydrophobicContact CE2-CG2 3.7Å; T167-A169 VanDerWaalsContact C-N 3.26Å; T167-A169 PolarHBondContact O-N 3.39Å; T167-A169 PolarHBondContact OG1-N 3.37Å; T167-G170 PolarHBondContact O-N 3.41Å; T167-G170 VanDerWaalsContact O-N 3.08Å; T167-G170 PolarHBondContact OG1-N 2.92Å; T167-S171 WeakPolarHBondContact CB-OG 3.38Å; T167-S171 WeakPolarHBondContact CG2-OG 3.16Å; T167-S171 PolarHBondContact N-O 2.7Å; T167-S171 PolarHBondContact OG1-N 3.06Å; T167-S171 PolarHBondContact OG1-O 2.77Å; T167-S171 PolarHBondContact OG1-OG 3.22Å; T167-I197 PolarHBondContact O-N 3.35Å
168	F	91.8	Very high	88	Confident	28 Å²	28	19.7 Å²	19.7	12%	0.123	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-29.4	170.9	-83.9	-114	0	0	0	112.9	L96 A141 N143 G170 V196 F358	L96-F168 HydrophobicContact CD1-CE2 3.84Å; L96-F168 HydrophobicContact CD1-CZ 4.43Å; A141-F168 HydrophobicContact CB-CB 4.34Å; A141-F168 HydrophobicContact CB-CD2 3.99Å; A141-F168 HydrophobicContact CB-CG 4.28Å; A141-F168 WeakPolarHBondContact O-CD2 3.22Å; A141-F168 PolarHBondContact O-N 2.88Å; N143-F168 HydrophobicContact CB-CD2 3.65Å; N143-F168 HydrophobicContact CB-CE2 3.5Å; N143-F168 WeakPolarHBondContact OD1-CE2 3.49Å; N143-F168 WeakPolarHBondContact OD1-CZ 3.46Å; F168-G170 PolarHBondContact O-N 2.98Å; F168-V196 HydrophobicContact CB-CG2 4.45Å; F168-V196 HydrophobicContact CD1-CG2 4.18Å; F168-V196 HydrophobicContact CG-CG1 4.4Å; F168-V196 HydrophobicContact CG-CG2 4.42Å; F168-V196 WeakPolarHBondContact O-CG2 3.32Å; F168-F358 HydrophobicContact CB-CD2 4.42Å; F168-F358 HydrophobicContact CB-CE2 4.38Å; F168-F358 HydrophobicContact CD1-CB 4.21Å; F168-F358 AromaticContact CD1-CD1 3.78Å; F168-F358 HydrophobicContact CD1-CD1 3.78Å; F168-F358 HydrophobicContact CD1-CD2 4.29Å; F168-F358 HydrophobicContact CD1-CE1 4.16Å; F168-F358 AromaticContact CD1-CG 3.84Å; F168-F358 HydrophobicContact CD1-CG 3.84Å; F168-F358 HydrophobicContact CE1-CD1 4.31Å
169	A	89.2	Confident	89.3	Confident	17 Å²	17	18.6 Å²	18.6	14%	0.14	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	1.6	174.1	0	0	0	0	0	112.8	A140 T167 S171 S194	A140-A169 HydrophobicContact CB-CB 3.45Å; A140-A169 VanDerWaalsContact CB-CB 3.45Å; T167-A169 VanDerWaalsContact C-N 3.26Å; T167-A169 PolarHBondContact O-N 3.39Å; T167-A169 PolarHBondContact OG1-N 3.37Å; A169-S171 VanDerWaalsContact C-N 3.33Å; A169-S171 PolarHBondContact O-N 2.93Å; A169-S194 WeakPolarHBondContact O-CA 3.41Å
170	G	89.8	Confident	90.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	80.4	8.6	179.2	0	0	0	0	0	114.8	T167 F168 S190 A195 R217	T167-G170 PolarHBondContact O-N 3.41Å; T167-G170 VanDerWaalsContact O-N 3.08Å; T167-G170 PolarHBondContact OG1-N 2.92Å; F168-G170 PolarHBondContact O-N 2.98Å; G170-S190 WeakPolarHBondContact O-CB 3.26Å; G170-A195 WeakPolarHBondContact CA-O 3.27Å; G170-R217 PolarHBondContact O-NH1 3.31Å; G170-R217 PolarHBondContact O-NH2 3.24Å
171	S	91.8	Very high	90.9	Very high	5 Å²	5	14.5 Å²	14.5	4%	0.035	8%	0.083	C	C	.	.			trans	-76.6	153.5	171.9	59.2	0	0	0	0	111.4	G166 T167 A169 E187 L188	G166-S171 WeakPolarHBondContact CA-O 3.34Å; T167-S171 WeakPolarHBondContact CB-OG 3.38Å; T167-S171 WeakPolarHBondContact CG2-OG 3.16Å; T167-S171 PolarHBondContact N-O 2.7Å; T167-S171 PolarHBondContact OG1-N 3.06Å; T167-S171 PolarHBondContact OG1-O 2.77Å; T167-S171 PolarHBondContact OG1-OG 3.22Å; A169-S171 VanDerWaalsContact C-N 3.33Å; A169-S171 PolarHBondContact O-N 2.93Å; S171-E187 VanDerWaalsContact CB-OE1 3.28Å; S171-E187 WeakPolarHBondContact CB-OE1 3.12Å; S171-E187 PolarHBondContact OG-OE1 3.16Å; S171-L188 CarbonylContact C-O 3.59Å; S171-L188 WeakPolarHBondContact CA-O 3.38Å; S171-L188 VanDerWaalsContact CB-O 3.31Å; S171-L188 WeakPolarHBondContact CB-O 3.44Å
172	I	92.5	Very high	91.2	Very high	3 Å²	3	10.7 Å²	10.7	2%	0.015	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.5	174.9	-60.4	166.3	0	0	0	107.1	V164 Y165 W186 E187 L188 I197 L213 A215 Y225	V164-I172 HydrophobicContact CG1-CG2 3.86Å; Y165-I172 CarbonylContact O-C 3.6Å; Y165-I172 VanDerWaalsContact O-CA 3.3Å; Y165-I172 WeakPolarHBondContact O-CA 3.07Å; I172-W186 HydrophobicContact CG2-CH2 4.1Å; I172-W186 HydrophobicContact CG2-CZ3 4.24Å; I172-W186 WeakPolarHBondContact O-CZ3 3.34Å; I172-E187 CarbonylContact O-C 3.46Å; I172-E187 WeakPolarHBondContact O-CA 3.47Å; I172-L188 PolarHBondContact N-O 2.83Å; I172-L188 PolarHBondContact O-N 2.82Å; I172-I197 HydrophobicContact CD1-CD1 4.38Å; I172-I197 HydrophobicContact CG1-CD1 4.13Å; I172-I197 HydrophobicContact CG1-CG1 4.08Å; I172-L213 HydrophobicContact CD1-CD2 4.15Å; I172-L213 HydrophobicContact CG2-CD1 4.05Å; I172-L213 HydrophobicContact CG2-CD2 4.18Å; I172-A215 HydrophobicContact CD1-CB 3.5Å; I172-A215 VanDerWaalsContact CD1-CB 3.5Å; I172-A215 HydrophobicContact CG1-CB 4.46Å; I172-Y225 HydrophobicContact CD1-CD2 4.22Å; I172-Y225 HydrophobicContact CD1-CE2 3.52Å
173	G	93	Very high	91.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	176.8	175.9	0	0	0	0	0	113.7	V164 Y165 W186	V164-G173 CarbonylContact C-O 3.5Å; V164-G173 VanDerWaalsContact CA-O 3.31Å; V164-G173 WeakPolarHBondContact CA-O 3.32Å; V164-G173 WeakPolarHBondContact CG1-O 3.46Å; Y165-G173 VanDerWaalsContact CD1-O 3.31Å; Y165-G173 WeakPolarHBondContact CD1-O 3.49Å; Y165-G173 PolarHBondContact N-O 2.95Å; Y165-G173 PolarHBondContact O-N 3.48Å; G173-W186 CarbonylContact C-O 3.59Å; G173-W186 WeakPolarHBondContact CA-O 3.28Å
174	E	93.2	Very high	91.3	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133.3	177.7	-179.8	-175	110.9	0	0	110.9	L162 L163 N184 K185 W186 Y227	L162-E174 HydrophobicContact CD2-CG 4.47Å; L163-E174 CarbonylContact O-C 3.52Å; L163-E174 VanDerWaalsContact O-CA 3.3Å; L163-E174 WeakPolarHBondContact O-CA 3.09Å; E174-N184 PolarHBondContact O-OD1 2.8Å; E174-K185 HydrophobicContact CB-CB 4.39Å; E174-K185 HydrophobicContact CG-CB 4.44Å; E174-K185 PolarHBondContact O-N 2.97Å; E174-W186 HydrophobicContact CB-CD2 4.1Å; E174-W186 HydrophobicContact CB-CG 4.36Å; E174-W186 HydrophobicContact CB-CZ2 3.6Å; E174-W186 VanDerWaalsContact CD-NE1 3.35Å; E174-W186 PolarHBondContact N-O 2.9Å; E174-W186 PolarHBondContact OE2-NE1 3.14Å; E174-W186 VanDerWaalsContact OE2-NE1 3.12Å; E174-Y227 WeakPolarHBondContact OE2-CE2 3.38Å; E174-Y227 VanDerWaalsContact OE2-CZ 3.26Å; E174-Y227 PolarHBondContact OE2-OH 2.91Å
175	L	93.4	Very high	91.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.9	173.1	-53.7	169.9	0	0	0	109.1	F124 I136 L145 L162 L163 Y165 V177 I182 E183 N184	F124-L175 HydrophobicContact CB-CD1 4.42Å; F124-L175 HydrophobicContact CD1-CD1 3.92Å; F124-L175 HydrophobicContact CD2-CD1 3.38Å; F124-L175 HydrophobicContact CD2-CD2 3.82Å; F124-L175 HydrophobicContact CD2-CG 4.2Å; F124-L175 HydrophobicContact CE1-CD1 3.96Å; F124-L175 HydrophobicContact CE2-CD1 3.38Å; F124-L175 HydrophobicContact CE2-CD2 3.84Å; F124-L175 HydrophobicContact CE2-CG 4.06Å; F124-L175 HydrophobicContact CG-CD1 3.65Å; F124-L175 HydrophobicContact CZ-CD1 3.69Å; I136-L175 HydrophobicContact CD1-CD2 3.85Å; L145-L175 HydrophobicContact CD2-CD1 4.34Å; L162-L175 WeakPolarHBondContact CA-O 3.19Å; L163-L175 HydrophobicContact CB-CB 4.27Å; L163-L175 PolarHBondContact N-O 3.37Å; L163-L175 PolarHBondContact O-N 2.63Å; Y165-L175 HydrophobicContact CD1-CD1 4.02Å; Y165-L175 HydrophobicContact CD1-CD2 4.01Å; Y165-L175 HydrophobicContact CD1-CG 3.64Å; Y165-L175 HydrophobicContact CE1-CD2 3.66Å; Y165-L175 HydrophobicContact CE1-CG 3.82Å; L175-V177 HydrophobicContact CB-CG2 4.28Å; L175-I182 HydrophobicContact CB-CG1 4.47Å; L175-I182 HydrophobicContact CD1-CD1 4.13Å; L175-E183 WeakPolarHBondContact CA-O 3.39Å; L175-N184 HydrophobicContact CD2-CB 4.04Å
176	A	91.3	Very high	90.9	Very high	3 Å²	3	24.3 Å²	24.3	3%	0.025	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.1	160.1	0	0	0	0	0	109	D160 R161 L162 I182 E183 K185	D160-A176 HydrophobicContact CB-CB 4.35Å; R161-A176 WeakPolarHBondContact O-CA 3.14Å; L162-A176 HydrophobicContact CD2-CB 3.9Å; A176-I182 WeakPolarHBondContact O-CA 3.36Å; A176-E183 PolarHBondContact N-O 3.41Å; A176-E183 PolarHBondContact O-N 3.43Å; A176-K185 HydrophobicContact CB-CD 4.3Å; A176-K185 HydrophobicContact CB-CG 4.04Å
177	V	90.9	Very high	90.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	110.1	-176.8	-171.5	0	0	0	0	108.7	F101 V116 L126 D160 R161 L163 L175 I182	F101-V177 HydrophobicContact CE2-CB 4.17Å; F101-V177 HydrophobicContact CE2-CG1 4.02Å; F101-V177 HydrophobicContact CZ-CB 3.71Å; F101-V177 HydrophobicContact CZ-CG1 3.67Å; F101-V177 HydrophobicContact CZ-CG2 4.1Å; V116-V177 HydrophobicContact CG2-CG1 3.91Å; V116-V177 HydrophobicContact CG2-CG2 4.09Å; L126-V177 HydrophobicContact CD1-CG1 3.65Å; L126-V177 HydrophobicContact CD2-CG1 4.04Å; L126-V177 HydrophobicContact CG-CG1 4.41Å; D160-V177 CarbonylContact C-O 3.56Å; D160-V177 VanDerWaalsContact CA-O 3.32Å; D160-V177 WeakPolarHBondContact CA-O 3.45Å; R161-V177 PolarHBondContact N-O 2.92Å; R161-V177 PolarHBondContact O-N 3.25Å; L163-V177 HydrophobicContact CD1-CG2 3.89Å; L163-V177 HydrophobicContact CG-CG2 4.27Å; L175-V177 HydrophobicContact CB-CG2 4.28Å; V177-I182 HydrophobicContact CG2-CD1 4.24Å; V177-I182 HydrophobicContact CG2-CG1 4.13Å
178	G	85.1	Confident	90.4	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.01	15%	0.151	C	C	.	.			trans	-89.8	-164.4	170.7	0	0	0	0	0	111.9	D160 C181	D160-G178 VanDerWaalsContact OD1-CA 3.32Å; D160-G178 WeakPolarHBondContact OD1-CA 3.35Å; G178-C181 PolarHBondContact N-O 3.42Å
179	S	81.1	Confident	90.1	Very high	26 Å²	26	31.2 Å²	31.2	18%	0.182	17%	0.173	C	C	.	.	S	Bend	trans	-63.7	-44	175.8	44.3	0	0	0	0	113.2	E106	E106-S179 WeakPolarHBondContact CG-OG 3.44Å; E106-S179 PolarHBondContact OE1-OG 3.04Å
180	S	85.6	Confident	89.4	Confident	55 Å²	55	31.5 Å²	31.5	39%	0.385	17%	0.174	S	C	.	.	S	Bend	trans	-131.4	9.3	-177.2	85.1	0	0	0	0	114.1	E106	E106-S180 WeakPolarHBondContact OE1-CB 3.39Å; E106-S180 PolarHBondContact OE1-OG 3.14Å
181	C	90.2	Very high	88.5	Confident	63 Å²	63	34.9 Å²	34.9	43%	0.426	20%	0.196	S	C	.	.			trans	-133.3	150.1	-176.7	65.4	0	0	0	0	111	L126 G178	L126-C181 WeakPolarHBondContact CD2-O 3.49Å; G178-C181 PolarHBondContact N-O 3.42Å
182	I	93.1	Very high	87.2	Confident	14 Å²	14	38 Å²	38	7%	0.072	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.4	171.7	-172.6	169.4	0	0	0	107.6	V116 F124 A134 I136 L175 A176 V177	V116-I182 HydrophobicContact CG1-CD1 4.19Å; F124-I182 HydrophobicContact CB-CD1 3.61Å; F124-I182 HydrophobicContact CG-CD1 4.39Å; A134-I182 HydrophobicContact CB-CG2 3.85Å; I136-I182 HydrophobicContact CB-CG2 4.22Å; I136-I182 HydrophobicContact CD1-CB 4.42Å; I136-I182 HydrophobicContact CD1-CD1 4.11Å; I136-I182 HydrophobicContact CD1-CG1 3.76Å; I136-I182 HydrophobicContact CD1-CG2 4Å; I136-I182 HydrophobicContact CG1-CD1 4.29Å; I136-I182 HydrophobicContact CG1-CG1 4.27Å; I136-I182 HydrophobicContact CG1-CG2 3.74Å; I136-I182 HydrophobicContact CG2-CG2 3.6Å; L175-I182 HydrophobicContact CB-CG1 4.47Å; L175-I182 HydrophobicContact CD1-CD1 4.13Å; A176-I182 WeakPolarHBondContact O-CA 3.36Å; V177-I182 HydrophobicContact CG2-CD1 4.24Å; V177-I182 HydrophobicContact CG2-CG1 4.13Å
183	E	92.4	Very high	86.1	Confident	102 Å²	102	39.7 Å²	39.7	48%	0.477	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	125.1	-176.5	-170.9	-168.6	148.1	0	0	109.2	L175 A176 K185	L175-E183 WeakPolarHBondContact CA-O 3.39Å; A176-E183 PolarHBondContact N-O 3.41Å; A176-E183 PolarHBondContact O-N 3.43Å; E183-K185 PolarHBondContact O-N 3.43Å; E183-K185 IonicContact OE1-NZ 3.07Å; E183-K185 PolarHBondContact OE1-NZ 3.1Å; E183-K185 IonicContact OE2-NZ 3.15Å; E183-K185 PolarHBondContact OE2-NZ 3.5Å
184	N	92.8	Very high	85.5	Confident	54 Å²	54	41.5 Å²	41.5	29%	0.289	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	110.7	170.1	-174.8	7.2	0	0	0	109.4	I136 Y165 E174 L175 W186	I136-N184 HydrophobicContact CD1-CB 4.22Å; Y165-N184 PolarHBondContact OH-ND2 2.85Å; Y165-N184 VanDerWaalsContact OH-ND2 3.08Å; Y165-N184 PolarHBondContact OH-OD1 3.32Å; E174-N184 PolarHBondContact O-OD1 2.8Å; L175-N184 HydrophobicContact CD2-CB 4.04Å; N184-W186 PolarHBondContact OD1-O 2.94Å
185	K	91.7	Very high	85.1	Confident	91 Å²	91	42.2 Å²	42.2	40%	0.396	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-44.8	-175.4	-68.8	-67	176.4	-167.8	0	112	E174 A176 E183	E174-K185 HydrophobicContact CB-CB 4.39Å; E174-K185 HydrophobicContact CG-CB 4.44Å; E174-K185 PolarHBondContact O-N 2.97Å; A176-K185 HydrophobicContact CB-CD 4.3Å; A176-K185 HydrophobicContact CB-CG 4.04Å; E183-K185 PolarHBondContact O-N 3.43Å; E183-K185 IonicContact OE1-NZ 3.07Å; E183-K185 PolarHBondContact OE1-NZ 3.1Å; E183-K185 IonicContact OE2-NZ 3.15Å; E183-K185 PolarHBondContact OE2-NZ 3.5Å
186	W	90.7	Very high	85	Confident	48 Å²	48	42.4 Å²	42.4	18%	0.182	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	153.5	179.5	57	-94.9	0	0	0	109.9	I172 G173 E174 N184 L188 L213 Y227 V233	I172-W186 HydrophobicContact CG2-CH2 4.1Å; I172-W186 HydrophobicContact CG2-CZ3 4.24Å; I172-W186 WeakPolarHBondContact O-CZ3 3.34Å; G173-W186 CarbonylContact C-O 3.59Å; G173-W186 WeakPolarHBondContact CA-O 3.28Å; E174-W186 HydrophobicContact CB-CD2 4.1Å; E174-W186 HydrophobicContact CB-CG 4.36Å; E174-W186 HydrophobicContact CB-CZ2 3.6Å; E174-W186 VanDerWaalsContact CD-NE1 3.35Å; E174-W186 PolarHBondContact N-O 2.9Å; E174-W186 PolarHBondContact OE2-NE1 3.14Å; E174-W186 VanDerWaalsContact OE2-NE1 3.12Å; N184-W186 PolarHBondContact OD1-O 2.94Å; W186-L188 HydrophobicContact CE3-CB 4.34Å; W186-L188 HydrophobicContact CZ3-CB 4.15Å; W186-L213 HydrophobicContact CH2-CD1 4.33Å; W186-Y227 HydrophobicContact CZ2-CD2 4.21Å; W186-Y227 AromaticContact CZ2-CE2 3.86Å; W186-Y227 HydrophobicContact CZ2-CE2 3.86Å; W186-V233 HydrophobicContact CH2-CG2 3.77Å; W186-V233 HydrophobicContact CZ2-CG2 4.17Å; W186-V233 HydrophobicContact CZ3-CG2 4.13Å
187	E	90.7	Very high	85.1	Confident	53 Å²	53	42.2 Å²	42.2	25%	0.248	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	129.6	172.5	-171.8	172.2	165.7	0	0	109	S139 Y165 S171 I172	S139-E187 WeakPolarHBondContact CB-OE1 3.22Å; S139-E187 PolarHBondContact OG-OE1 2.97Å; Y165-E187 PolarHBondContact OH-OE2 3.18Å; S171-E187 VanDerWaalsContact CB-OE1 3.28Å; S171-E187 WeakPolarHBondContact CB-OE1 3.12Å; S171-E187 PolarHBondContact OG-OE1 3.16Å; I172-E187 CarbonylContact O-C 3.46Å; I172-E187 WeakPolarHBondContact O-CA 3.47Å
188	L	88.2	Confident	85.2	Confident	31 Å²	31	43 Å²	43	16%	0.162	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.1	-179.6	-176.7	69.6	0	0	0	108.9	S171 I172 W186 Y225 I236	S171-L188 CarbonylContact C-O 3.59Å; S171-L188 WeakPolarHBondContact CA-O 3.38Å; S171-L188 VanDerWaalsContact CB-O 3.31Å; S171-L188 WeakPolarHBondContact CB-O 3.44Å; I172-L188 PolarHBondContact N-O 2.83Å; I172-L188 PolarHBondContact O-N 2.82Å; W186-L188 HydrophobicContact CE3-CB 4.34Å; W186-L188 HydrophobicContact CZ3-CB 4.15Å; L188-Y225 HydrophobicContact CD2-CD1 4.19Å; L188-Y225 HydrophobicContact CD2-CE1 3.69Å; L188-I236 HydrophobicContact CD1-CD1 3.72Å; L188-I236 HydrophobicContact CD1-CG1 4.29Å; L188-I236 HydrophobicContact CD2-CG1 4.45Å
189	P	85.9	Confident	85.7	Confident	89 Å²	89	43.1 Å²	43.1	58%	0.578	25%	0.253	S	S	*	.			trans	-66.1	150.9	169.5	29.1	-34.7	0	0	0	110.4
190	S	74.8	Confident	86.3	Confident	23 Å²	23	42.4 Å²	42.4	16%	0.161	25%	0.247	C	C	.	.			trans	-61	129.4	176.4	178.2	0	0	0	0	111.7	G170 N192 G193 R217	G170-S190 WeakPolarHBondContact O-CB 3.26Å; S190-N192 PolarHBondContact O-N 3.42Å; S190-N192 PolarHBondContact OG-N 2.6Å; S190-N192 VanDerWaalsContact OG-N 3.09Å; S190-G193 WeakPolarHBondContact CB-O 3.41Å; S190-G193 PolarHBondContact OG-N 3.04Å; S190-G193 VanDerWaalsContact OG-N 3.12Å; S190-G193 PolarHBondContact OG-O 2.79Å; S190-R217 VanDerWaalsContact CB-NH2 3.29Å; S190-R217 PolarHBondContact OG-NH1 2.84Å; S190-R217 PolarHBondContact OG-NH2 2.8Å; S190-R217 VanDerWaalsContact OG-NH2 3.11Å
191	P	69.6	Low	86.6	Confident	71 Å²	71	40.8 Å²	40.8	46%	0.461	23%	0.234	S	C	.	.	S	Bend	trans	-69.3	-23.5	169.9	28.8	-32.6	0	0	0	112.2
192	N	65.6	Low	86.5	Confident	71 Å²	71	38.3 Å²	38.3	38%	0.38	22%	0.217	S	C	.	.	S	Bend	trans	-110	6.7	-167.4	-64.9	-46.4	0	0	0	114.3	S190 E223	S190-N192 PolarHBondContact O-N 3.42Å; S190-N192 PolarHBondContact OG-N 2.6Å; S190-N192 VanDerWaalsContact OG-N 3.09Å; N192-E223 WeakPolarHBondContact CB-OE1 3.38Å; N192-E223 PolarHBondContact ND2-OE1 2.79Å
193	G	69.3	Low	86.2	Confident	38 Å²	38	40.2 Å²	40.2	39%	0.392	23%	0.225	S	C	.	.			trans	119.3	177.4	174.5	0	0	0	0	0	114.2	S190 A195	S190-G193 WeakPolarHBondContact CB-O 3.41Å; S190-G193 PolarHBondContact OG-N 3.04Å; S190-G193 VanDerWaalsContact OG-N 3.12Å; S190-G193 PolarHBondContact OG-O 2.79Å; G193-A195 VanDerWaalsContact C-N 3.26Å; G193-A195 PolarHBondContact O-N 3.29Å; G193-A195 VanDerWaalsContact O-N 3.15Å
194	S	79.4	Confident	85.9	Confident	38 Å²	38	36.7 Å²	36.7	27%	0.266	21%	0.21	S	C	.	.	S	Bend	trans	-86.2	24.9	-167.8	68	0	0	0	0	114.7	A169	A169-S194 WeakPolarHBondContact O-CA 3.41Å
195	A	85.1	Confident	85.3	Confident	16 Å²	16	35.4 Å²	35.4	13%	0.132	20%	0.203	C	C	.	.			trans	-69.9	133.8	179.9	0	0	0	0	0	110.5	G170 G193 R217 D219	G170-A195 WeakPolarHBondContact CA-O 3.27Å; G193-A195 VanDerWaalsContact C-N 3.26Å; G193-A195 PolarHBondContact O-N 3.29Å; G193-A195 VanDerWaalsContact O-N 3.15Å; A195-R217 HydrophobicContact CB-CB 4.23Å; A195-R217 PolarHBondContact O-NH1 3.16Å; A195-D219 HydrophobicContact CB-CB 3.9Å; A195-D219 VanDerWaalsContact CB-CG 3.48Å
196	V	91.4	Very high	84.5	Confident	3 Å²	3	37 Å²	37	2%	0.018	21%	0.21	C	C	.	.			trans	-54.7	137.6	-178.1	-178.3	0	0	0	0	110.8	N143 F168 R217 D218 F358	N143-V196 HydrophobicContact CB-CG1 4.04Å; F168-V196 HydrophobicContact CB-CG2 4.45Å; F168-V196 HydrophobicContact CD1-CG2 4.18Å; F168-V196 HydrophobicContact CG-CG1 4.4Å; F168-V196 HydrophobicContact CG-CG2 4.42Å; F168-V196 WeakPolarHBondContact O-CG2 3.32Å; V196-R217 CarbonylContact O-C 3.41Å; V196-R217 WeakPolarHBondContact O-CA 3.09Å; V196-D218 HydrophobicContact CB-CB 4Å; V196-D218 PolarHBondContact O-N 3.27Å; V196-F358 HydrophobicContact CG2-CE1 4.14Å; V196-F358 HydrophobicContact CG2-CZ 4.24Å
197	I	93.4	Very high	83.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	114.9	170	-52.6	-56.9	0	0	0	109.1	N143 I144 T167 I172 I200 A215 R217	N143-I197 PolarHBondContact ND2-O 2.81Å; I144-I197 HydrophobicContact CG2-CG2 4.05Å; T167-I197 PolarHBondContact O-N 3.35Å; I172-I197 HydrophobicContact CD1-CD1 4.38Å; I172-I197 HydrophobicContact CG1-CD1 4.13Å; I172-I197 HydrophobicContact CG1-CG1 4.08Å; I197-I200 HydrophobicContact CG2-CD1 3.93Å; I197-I200 HydrophobicContact CG2-CG1 3.64Å; I197-A215 HydrophobicContact CD1-CB 4.36Å; I197-A215 HydrophobicContact CG2-CB 4.42Å; I197-R217 HydrophobicContact CD1-CG 3.87Å
198	N	93.7	Very high	83.1	Confident	15 Å²	15	39.2 Å²	39.2	8%	0.08	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-19.1	-178.4	-72.3	-55.3	0	0	0	113.5	N143 I144 G216 D218 N253 V254 R356	N143-N198 PolarHBondContact ND2-OD1 3.22Å; I144-N198 WeakPolarHBondContact CD1-O 3.49Å; N198-G216 PolarHBondContact N-O 2.89Å; N198-D218 VanDerWaalsContact ND2-CA 3.31Å; N198-D218 WeakPolarHBondContact ND2-CA 3.15Å; N198-D218 VanDerWaalsContact ND2-CB 3.35Å; N198-D218 WeakPolarHBondContact ND2-CB 3.43Å; N198-D218 PolarHBondContact ND2-N 3.08Å; N198-D218 PolarHBondContact ND2-OD1 2.81Å; N198-D218 VanDerWaalsContact ND2-OD1 3.11Å; N198-N253 VanDerWaalsContact ND2-CG 3.26Å; N198-N253 PolarHBondContact ND2-ND2 2.85Å; N198-N253 PolarHBondContact ND2-OD1 2.81Å; N198-V254 WeakPolarHBondContact CB-O 3.48Å; N198-R356 PolarHBondContact ND2-NH1 3.04Å; N198-R356 PolarHBondContact OD1-NH1 3.24Å; N198-R356 PolarHBondContact OD1-NH2 3.37Å; N198-R356 VanDerWaalsContact OD1-NH2 3.12Å
199	A	94.1	Very high	82.5	Confident	4 Å²	4	40.7 Å²	40.7	3%	0.033	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	137.5	-178.3	0	0	0	0	0	110.4	A215 G216 V257	A199-A215 CarbonylContact O-C 3.54Å; A199-A215 WeakPolarHBondContact O-CA 3.33Å; A199-G216 PolarHBondContact N-O 2.88Å; A199-G216 PolarHBondContact O-N 3.01Å; A199-V257 HydrophobicContact CB-CB 4.2Å; A199-V257 HydrophobicContact CB-CG2 3.92Å
200	I	93.9	Very high	82	Confident	11 Å²	11	38.7 Å²	38.7	6%	0.056	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	140.3	173.2	-63.3	-177.4	0	0	0	109	I144 Y146 V164 Y165 I197 L214	I144-I200 HydrophobicContact CG2-CD1 3.85Å; I144-I200 HydrophobicContact CG2-CG1 3.9Å; Y146-I200 HydrophobicContact CD1-CG2 4.41Å; Y146-I200 VanDerWaalsContact CD2-O 3.25Å; Y146-I200 WeakPolarHBondContact CD2-O 3.33Å; Y146-I200 HydrophobicContact CG-CG2 4.01Å; V164-I200 HydrophobicContact CB-CG2 4.27Å; V164-I200 HydrophobicContact CG1-CD1 3.96Å; V164-I200 HydrophobicContact CG1-CG2 3.89Å; Y165-I200 VanDerWaalsContact C-CD1 3.44Å; I197-I200 HydrophobicContact CG2-CD1 3.93Å; I197-I200 HydrophobicContact CG2-CG1 3.64Å; I200-L214 VanDerWaalsContact CA-O 3.29Å; I200-L214 WeakPolarHBondContact CA-O 3.11Å
201	E	92.1	Very high	82.4	Confident	22 Å²	22	39.1 Å²	39.1	10%	0.103	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	143	169.6	179.5	-178.6	-144.6	0	0	110.2	H203 L213 L214 Q258 S259	E201-H203 HydrophobicContact CG-CB 4.47Å; E201-L213 CarbonylContact O-C 3.59Å; E201-L213 WeakPolarHBondContact O-CA 3.5Å; E201-L214 HydrophobicContact CB-CB 4.34Å; E201-L214 HydrophobicContact CB-CD1 4.48Å; E201-L214 PolarHBondContact N-O 3.49Å; E201-L214 PolarHBondContact O-N 3.07Å; E201-L214 WeakPolarHBondContact OE2-CD1 3.19Å; E201-Q258 VanDerWaalsContact OE1-CA 3.31Å; E201-Q258 WeakPolarHBondContact OE1-CA 3.3Å; E201-Q258 WeakPolarHBondContact OE2-CA 3.28Å; E201-Q258 PolarHBondContact OE2-N 3.45Å; E201-S259 PolarHBondContact OE1-N 3.02Å; E201-S259 VanDerWaalsContact OE2-CB 3.25Å; E201-S259 WeakPolarHBondContact OE2-CB 3.4Å; E201-S259 PolarHBondContact OE2-N 3.42Å; E201-S259 PolarHBondContact OE2-OG 2.78Å
202	C	89.2	Confident	83.2	Confident	11 Å²	11	36 Å²	36	7%	0.074	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.3	167.2	-63	0	0	0	0	109.7	Y146 N212	Y146-C202 HydrophobicContact CD1-CB 4.44Å; Y146-C202 HydrophobicContact CE1-CB 3.66Å; Y146-C202 PolarHBondContact OH-N 3.17Å; Y146-C202 PolarHBondContact OH-O 2.91Å; C202-N212 CarbonylContact C-O 3.55Å; C202-N212 VanDerWaalsContact CA-O 3.29Å; C202-N212 WeakPolarHBondContact CA-O 3.31Å
203	H	86.5	Confident	84.3	Confident	53 Å²	53	32.7 Å²	32.7	25%	0.245	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	146	179.9	-169.6	70.7	0	0	0	111.6	E201 L205 N212 Q268	E201-H203 HydrophobicContact CG-CB 4.47Å; H203-L205 PolarHBondContact O-N 3.2Å; H203-N212 PolarHBondContact N-O 2.71Å; H203-N212 WeakPolarHBondContact O-CA 3.3Å; H203-N212 WeakPolarHBondContact O-CB 3.32Å; H203-N212 PolarHBondContact O-N 3.45Å; H203-Q268 PolarHBondContact CD2-OE1 3.23Å; H203-Q268 PolarHBondContact NE2-OE1 2.92Å; H203-Q268 VanDerWaalsContact NE2-OE1 3.17Å
204	D	85.5	Confident	85.2	Confident	28 Å²	28	30.9 Å²	30.9	15%	0.15	20%	0.195	C	C	.	.			trans	-81.8	92.3	173	175.9	8.6	0	0	0	109.9	K206 G207 D208 G209 S210 L211 Q268	D204-K206 PolarHBondContact O-N 3.15Å; D204-K206 PolarHBondContact OD1-N 2.88Å; D204-K206 VanDerWaalsContact OD1-N 3.14Å; D204-G207 VanDerWaalsContact CG-N 3.32Å; D204-G207 WeakPolarHBondContact OD1-CA 3.2Å; D204-G207 PolarHBondContact OD1-N 2.69Å; D204-G207 WeakPolarHBondContact OD2-CA 2.89Å; D204-G207 PolarHBondContact OD2-N 3.25Å; D204-D208 PolarHBondContact OD1-N 3.34Å; D204-D208 PolarHBondContact OD2-N 2.85Å; D204-G209 WeakPolarHBondContact OD2-CA 3.48Å; D204-G209 PolarHBondContact OD2-N 2.91Å; D204-S210 WeakPolarHBondContact CA-O 3.33Å; D204-L211 HydrophobicContact CB-CD2 4.27Å; D204-Q268 PolarHBondContact O-NE2 2.71Å; D204-Q268 PolarHBondContact O-OE1 2.84Å
205	L	79.6	Confident	85.7	Confident	28 Å²	28	29.1 Å²	29.1	15%	0.147	18%	0.182	C	C	.	.	S	Bend	trans	-69	-22.5	-178.3	-65.8	171	0	0	0	113.1	H203 N212 L214 I224 Q268 I270	H203-L205 PolarHBondContact O-N 3.2Å; L205-N212 WeakPolarHBondContact CB-OD1 3.48Å; L205-N212 HydrophobicContact CD1-CB 3.74Å; L205-N212 HydrophobicContact CG-CB 4.06Å; L205-L214 HydrophobicContact CD1-CD2 4.35Å; L205-I224 HydrophobicContact CD1-CG2 4.19Å; L205-Q268 PolarHBondContact O-OE1 2.67Å; L205-I270 HydrophobicContact CD1-CD1 4.13Å; L205-I270 HydrophobicContact CD2-CD1 4.49Å; L205-I270 HydrophobicContact CD2-CG1 4.03Å
206	K	75	Confident	86	Confident	123 Å²	123	28.3 Å²	28.3	54%	0.535	18%	0.176	S	C	.	.	S	Bend	trans	-98.1	-16.6	-175.3	-66.9	-176.2	-176.2	176.8	0	112.8	D204 D208 Y226	D204-K206 PolarHBondContact O-N 3.15Å; D204-K206 PolarHBondContact OD1-N 2.88Å; D204-K206 VanDerWaalsContact OD1-N 3.14Å; K206-D208 HydrophobicContact CB-CB 4.33Å; K206-Y226 PolarHBondContact NZ-OH 2.83Å
207	G	76.6	Confident	85.8	Confident	57 Å²	57	28.2 Å²	28.2	59%	0.588	18%	0.175	S	C	*	.	S	Bend	trans	68.8	22.5	-171	0	0	0	0	0	113	D204	D204-G207 VanDerWaalsContact CG-N 3.32Å; D204-G207 WeakPolarHBondContact OD1-CA 3.2Å; D204-G207 PolarHBondContact OD1-N 2.69Å; D204-G207 WeakPolarHBondContact OD2-CA 2.89Å; D204-G207 PolarHBondContact OD2-N 3.25Å
208	D	76.8	Confident	85.5	Confident	92 Å²	92	28.5 Å²	28.5	49%	0.492	18%	0.176	S	C	.	.	S	Bend	trans	-100.2	2	-177.4	70.8	19.3	0	0	0	113.9	D204 K206 S210	D204-D208 PolarHBondContact OD1-N 3.34Å; D204-D208 PolarHBondContact OD2-N 2.85Å; K206-D208 HydrophobicContact CB-CB 4.33Å; D208-S210 VanDerWaalsContact C-N 3.33Å; D208-S210 WeakPolarHBondContact OD1-CA 3.4Å; D208-S210 WeakPolarHBondContact OD1-CB 3.25Å; D208-S210 PolarHBondContact OD1-N 2.77Å; D208-S210 PolarHBondContact OD1-OG 3.4Å
209	G	75	Confident	84.8	Confident	61 Å²	61	28.9 Å²	28.9	63%	0.629	18%	0.178	S	C	*	.	S	Bend	trans	87.3	-6.8	-175.3	0	0	0	0	0	114.2	D204	D204-G209 WeakPolarHBondContact OD2-CA 3.48Å; D204-G209 PolarHBondContact OD2-N 2.91Å
210	S	75.9	Confident	84.2	Confident	48 Å²	48	28.8 Å²	28.8	34%	0.336	18%	0.178	S	C	.	.			trans	-87.7	128	176.7	-41.8	0	0	0	0	110.1	D204 D208	D204-S210 WeakPolarHBondContact CA-O 3.33Å; D208-S210 VanDerWaalsContact C-N 3.33Å; D208-S210 WeakPolarHBondContact OD1-CA 3.4Å; D208-S210 WeakPolarHBondContact OD1-CB 3.25Å; D208-S210 PolarHBondContact OD1-N 2.77Å; D208-S210 PolarHBondContact OD1-OG 3.4Å
211	L	83.7	Confident	83.6	Confident	31 Å²	31	28.8 Å²	28.8	16%	0.162	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	143.2	179.3	-63.9	-178.9	0	0	0	111.3	I148 D204 Y227 I229	I148-L211 HydrophobicContact CG2-CD1 4.14Å; D204-L211 HydrophobicContact CB-CD2 4.27Å; L211-Y227 HydrophobicContact CB-CD1 3.93Å; L211-Y227 HydrophobicContact CD1-CD1 4.17Å; L211-Y227 HydrophobicContact CD1-CE1 4.3Å; L211-Y227 PolarHBondContact O-N 3.27Å; L211-I229 HydrophobicContact CD1-CD1 3.73Å; L211-I229 HydrophobicContact CD1-CG1 3.84Å; L211-I229 HydrophobicContact CG-CD1 4.48Å
212	N	84.8	Confident	83.2	Confident	7 Å²	7	28 Å²	28	4%	0.037	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.4	165	-65.7	115.7	0	0	0	109.2	C202 H203 L205 I224 Y225 Y226	C202-N212 CarbonylContact C-O 3.55Å; C202-N212 VanDerWaalsContact CA-O 3.29Å; C202-N212 WeakPolarHBondContact CA-O 3.31Å; H203-N212 PolarHBondContact N-O 2.71Å; H203-N212 WeakPolarHBondContact O-CA 3.3Å; H203-N212 WeakPolarHBondContact O-CB 3.32Å; H203-N212 PolarHBondContact O-N 3.45Å; L205-N212 WeakPolarHBondContact CB-OD1 3.48Å; L205-N212 HydrophobicContact CD1-CB 3.74Å; L205-N212 HydrophobicContact CG-CB 4.06Å; N212-I224 HydrophobicContact CB-CG2 4.18Å; N212-Y225 CarbonylContact C-O 3.51Å; N212-Y225 VanDerWaalsContact CA-O 3.26Å; N212-Y225 WeakPolarHBondContact CA-O 3.27Å; N212-Y226 VanDerWaalsContact ND2-CD1 3.35Å; N212-Y226 WeakPolarHBondContact ND2-CD1 3.08Å
213	L	88.5	Confident	82.9	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.7	173.1	-178.3	167.2	0	0	0	108.2	V164 I172 W186 E201 A215 Y225 Y227	V164-L213 HydrophobicContact CG1-CD1 3.61Å; V164-L213 HydrophobicContact CG1-CG 4.38Å; V164-L213 HydrophobicContact CG2-CD1 4.2Å; I172-L213 HydrophobicContact CD1-CD2 4.15Å; I172-L213 HydrophobicContact CG2-CD1 4.05Å; I172-L213 HydrophobicContact CG2-CD2 4.18Å; W186-L213 HydrophobicContact CH2-CD1 4.33Å; E201-L213 CarbonylContact O-C 3.59Å; E201-L213 WeakPolarHBondContact O-CA 3.5Å; L213-A215 HydrophobicContact CD2-CB 4.32Å; L213-Y225 HydrophobicContact CD2-CD2 3.85Å; L213-Y225 PolarHBondContact N-O 2.79Å; L213-Y225 PolarHBondContact O-N 3.14Å; L213-Y227 HydrophobicContact CB-CG 4.34Å; L213-Y227 HydrophobicContact CD1-CD2 4.34Å
214	L	89.5	Confident	82.8	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	131.7	177.5	-62.8	168.2	0	0	0	109.2	I200 E201 L205 E223 I224 V257 S259 I270	I200-L214 VanDerWaalsContact CA-O 3.29Å; I200-L214 WeakPolarHBondContact CA-O 3.11Å; E201-L214 HydrophobicContact CB-CB 4.34Å; E201-L214 HydrophobicContact CB-CD1 4.48Å; E201-L214 PolarHBondContact N-O 3.49Å; E201-L214 PolarHBondContact O-N 3.07Å; E201-L214 WeakPolarHBondContact OE2-CD1 3.19Å; L205-L214 HydrophobicContact CD1-CD2 4.35Å; L214-E223 CarbonylContact C-O 3.43Å; L214-E223 WeakPolarHBondContact CA-O 3.49Å; L214-I224 HydrophobicContact CD2-CB 3.99Å; L214-I224 HydrophobicContact CD2-CD1 3.89Å; L214-I224 HydrophobicContact CD2-CG1 3.52Å; L214-I224 HydrophobicContact CD2-CG2 3.77Å; L214-V257 HydrophobicContact CB-CG1 4.03Å; L214-V257 HydrophobicContact CD1-CG1 4.08Å; L214-S259 WeakPolarHBondContact CD1-OG 3.32Å; L214-I270 HydrophobicContact CD1-CD1 4.37Å; L214-I270 HydrophobicContact CD1-CG1 4.16Å; L214-I270 HydrophobicContact CD1-CG2 4.27Å; L214-I270 HydrophobicContact CD2-CD1 3.76Å; L214-I270 HydrophobicContact CD2-CG1 4.42Å
215	A	89.7	Confident	82.7	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	117.7	177.3	0	0	0	0	0	110.5	I172 I197 A199 L213 I222 E223 Y225	I172-A215 HydrophobicContact CD1-CB 3.5Å; I172-A215 VanDerWaalsContact CD1-CB 3.5Å; I172-A215 HydrophobicContact CG1-CB 4.46Å; I197-A215 HydrophobicContact CD1-CB 4.36Å; I197-A215 HydrophobicContact CG2-CB 4.42Å; A199-A215 CarbonylContact O-C 3.54Å; A199-A215 WeakPolarHBondContact O-CA 3.33Å; L213-A215 HydrophobicContact CD2-CB 4.32Å; A215-I222 WeakPolarHBondContact O-CA 3.11Å; A215-E223 PolarHBondContact N-O 3.5Å; A215-E223 PolarHBondContact O-N 3.07Å; A215-Y225 HydrophobicContact CB-CE2 4.44Å
216	G	90	Very high	82.7	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.3	173.7	0	0	0	0	0	111.1	N198 A199	N198-G216 PolarHBondContact N-O 2.89Å; A199-G216 PolarHBondContact N-O 2.88Å; A199-G216 PolarHBondContact O-N 3.01Å
217	R	89.1	Confident	82.8	Confident	1 Å²	1	20 Å²	20	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	158.7	-176.1	-62.5	-170.5	173.8	-88.8	-5.2	113.2	G170 S190 A195 V196 I197 D219 G220 I221 E223 V254	G170-R217 PolarHBondContact O-NH1 3.31Å; G170-R217 PolarHBondContact O-NH2 3.24Å; S190-R217 VanDerWaalsContact CB-NH2 3.29Å; S190-R217 PolarHBondContact OG-NH1 2.84Å; S190-R217 PolarHBondContact OG-NH2 2.8Å; S190-R217 VanDerWaalsContact OG-NH2 3.11Å; A195-R217 HydrophobicContact CB-CB 4.23Å; A195-R217 PolarHBondContact O-NH1 3.16Å; V196-R217 CarbonylContact O-C 3.41Å; V196-R217 WeakPolarHBondContact O-CA 3.09Å; I197-R217 HydrophobicContact CD1-CG 3.87Å; R217-D219 VanDerWaalsContact C-N 3.26Å; R217-D219 WeakPolarHBondContact CB-OD1 3.38Å; R217-D219 PolarHBondContact O-N 2.75Å; R217-G220 PolarHBondContact O-N 3.2Å; R217-I221 HydrophobicContact CB-CB 4.38Å; R217-I221 WeakPolarHBondContact CB-O 3.34Å; R217-I221 PolarHBondContact N-O 2.84Å; R217-E223 IonicContact CZ-OE1 3Å; R217-E223 IonicContact CZ-OE2 2.8Å; R217-E223 IonicContact NE-OE1 2.71Å; R217-E223 PolarHBondContact NE-OE1 2.68Å; R217-E223 VanDerWaalsContact NE-OE1 3.16Å; R217-E223 IonicContact NE-OE2 3.95Å; R217-E223 PolarHBondContact NE-OE2 3.37Å; R217-E223 IonicContact NH2-OE1 2.9Å; R217-E223 IonicContact NH2-OE2 2.73Å; R217-E223 PolarHBondContact NH2-OE2 3.15Å; R217-V254 PolarHBondContact O-N 3.44Å; R217-V254 VanDerWaalsContact O-N 3.16Å
218	D	86.5	Confident	82.7	Confident	5 Å²	5	21.3 Å²	21.3	3%	0.027	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-28.8	178.4	-151.1	21.2	0	0	0	113.4	V196 N198 G220 N253 R356 R424	V196-D218 HydrophobicContact CB-CB 4Å; V196-D218 PolarHBondContact O-N 3.27Å; N198-D218 VanDerWaalsContact ND2-CA 3.31Å; N198-D218 WeakPolarHBondContact ND2-CA 3.15Å; N198-D218 VanDerWaalsContact ND2-CB 3.35Å; N198-D218 WeakPolarHBondContact ND2-CB 3.43Å; N198-D218 PolarHBondContact ND2-N 3.08Å; N198-D218 PolarHBondContact ND2-OD1 2.81Å; N198-D218 VanDerWaalsContact ND2-OD1 3.11Å; D218-G220 PolarHBondContact O-N 2.7Å; D218-N253 VanDerWaalsContact O-CA 3.25Å; D218-N253 WeakPolarHBondContact O-CA 3.14Å; D218-N253 VanDerWaalsContact OD1-CB 3.27Å; D218-N253 WeakPolarHBondContact OD1-CB 3.26Å; D218-N253 PolarHBondContact OD1-ND2 3.49Å; D218-N253 PolarHBondContact OD1-OD1 3.23Å; D218-R356 IonicContact OD1-NH1 3.63Å; D218-R356 PolarHBondContact OD1-NH1 3.03Å; D218-R356 IonicContact OD2-NH1 3.61Å; D218-R424 VanDerWaalsContact CG-CZ 3.5Å; D218-R424 PolarHBondContact O-NH1 3.27Å; D218-R424 IonicContact OD1-CZ 3.39Å; D218-R424 IonicContact OD1-NH1 3.25Å; D218-R424 PolarHBondContact OD1-NH1 3.5Å; D218-R424 IonicContact OD1-NH2 3.82Å; D218-R424 IonicContact OD2-CZ 3.72Å; D218-R424 IonicContact OD2-NH1 3.67Å; D218-R424 PolarHBondContact OD2-NH1 3.39Å; D218-R424 IonicContact OD2-NH2 3.16Å; D218-R424 PolarHBondContact OD2-NH2 2.95Å
219	D	79.8	Confident	82.4	Confident	23 Å²	23	20 Å²	20	12%	0.123	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	3.1	178.1	63.8	-3.4	0	0	0	114	A195 R217 I221	A195-D219 HydrophobicContact CB-CB 3.9Å; A195-D219 VanDerWaalsContact CB-CG 3.48Å; R217-D219 VanDerWaalsContact C-N 3.26Å; R217-D219 WeakPolarHBondContact CB-OD1 3.38Å; R217-D219 PolarHBondContact O-N 2.75Å; D219-I221 WeakPolarHBondContact OD1-CB 3.49Å; D219-I221 WeakPolarHBondContact OD1-CG1 3.37Å; D219-I221 PolarHBondContact OD1-N 3.16Å; D219-I221 VanDerWaalsContact OD1-N 3.15Å; D219-I221 WeakPolarHBondContact OD2-CD1 3.22Å
220	G	80.2	Confident	82	Confident	3 Å²	3	23.7 Å²	23.7	3%	0.031	11%	0.113	C	C	.	.	S	Bend	trans	92.7	-0.2	-179.8	0	0	0	0	0	114.5	R217 D218 G252	R217-G220 PolarHBondContact O-N 3.2Å; D218-G220 PolarHBondContact O-N 2.7Å; G220-G252 WeakPolarHBondContact CA-O 3.33Å
221	I	81.4	Confident	81.4	Confident	11 Å²	11	28 Å²	28	6%	0.056	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	137	178.5	-60.2	178.7	0	0	0	110.1	R217 D219 E223	R217-I221 HydrophobicContact CB-CB 4.38Å; R217-I221 WeakPolarHBondContact CB-O 3.34Å; R217-I221 PolarHBondContact N-O 2.84Å; D219-I221 WeakPolarHBondContact OD1-CB 3.49Å; D219-I221 WeakPolarHBondContact OD1-CG1 3.37Å; D219-I221 PolarHBondContact OD1-N 3.16Å; D219-I221 VanDerWaalsContact OD1-N 3.15Å; D219-I221 WeakPolarHBondContact OD2-CD1 3.22Å; I221-E223 HydrophobicContact CG2-CG 3.89Å
222	I	84.5	Confident	80.4	Confident	4 Å²	4	26.6 Å²	26.6	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.3	166.6	-57.7	170.3	0	0	0	107.8	A215 I244 V254 A272	A215-I222 WeakPolarHBondContact O-CA 3.11Å; I222-I244 HydrophobicContact CD1-CD1 3.98Å; I222-V254 HydrophobicContact CG1-CG1 4.37Å; I222-V254 HydrophobicContact CG1-CG2 4.1Å; I222-A272 HydrophobicContact CD1-CB 3.43Å; I222-A272 VanDerWaalsContact CD1-CB 3.43Å
223	E	83.3	Confident	79.3	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	143.8	178.3	-64.6	175.1	157.8	0	0	110.5	N192 L214 A215 R217 I221 Y225	N192-E223 WeakPolarHBondContact CB-OE1 3.38Å; N192-E223 PolarHBondContact ND2-OE1 2.79Å; L214-E223 CarbonylContact C-O 3.43Å; L214-E223 WeakPolarHBondContact CA-O 3.49Å; A215-E223 PolarHBondContact N-O 3.5Å; A215-E223 PolarHBondContact O-N 3.07Å; R217-E223 IonicContact CZ-OE1 3Å; R217-E223 IonicContact CZ-OE2 2.8Å; R217-E223 IonicContact NE-OE1 2.71Å; R217-E223 PolarHBondContact NE-OE1 2.68Å; R217-E223 VanDerWaalsContact NE-OE1 3.16Å; R217-E223 IonicContact NE-OE2 3.95Å; R217-E223 PolarHBondContact NE-OE2 3.37Å; R217-E223 IonicContact NH2-OE1 2.9Å; R217-E223 IonicContact NH2-OE2 2.73Å; R217-E223 PolarHBondContact NH2-OE2 3.15Å; I221-E223 HydrophobicContact CG2-CG 3.89Å; E223-Y225 HydrophobicContact CB-CD2 4.35Å; E223-Y225 HydrophobicContact CB-CE2 3.59Å; E223-Y225 PolarHBondContact OE2-OH 3.39Å
224	I	84.3	Confident	77.8	Confident	9 Å²	9	31.7 Å²	31.7	5%	0.046	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.3	-179.6	-43.6	-170.5	0	0	0	108.1	L205 N212 L214 V240 I270	L205-I224 HydrophobicContact CD1-CG2 4.19Å; N212-I224 HydrophobicContact CB-CG2 4.18Å; L214-I224 HydrophobicContact CD2-CB 3.99Å; L214-I224 HydrophobicContact CD2-CD1 3.89Å; L214-I224 HydrophobicContact CD2-CG1 3.52Å; L214-I224 HydrophobicContact CD2-CG2 3.77Å; I224-V240 HydrophobicContact CD1-CB 3.91Å; I224-V240 HydrophobicContact CD1-CG2 4.12Å; I224-I270 HydrophobicContact CD1-CD1 3.53Å
225	Y	82.5	Confident	76.1	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	144.8	179.4	-61.6	-87.6	0	0	0	110.6	I172 L188 N212 L213 A215 E223 Y227 V233	I172-Y225 HydrophobicContact CD1-CD2 4.22Å; I172-Y225 HydrophobicContact CD1-CE2 3.52Å; L188-Y225 HydrophobicContact CD2-CD1 4.19Å; L188-Y225 HydrophobicContact CD2-CE1 3.69Å; N212-Y225 CarbonylContact C-O 3.51Å; N212-Y225 VanDerWaalsContact CA-O 3.26Å; N212-Y225 WeakPolarHBondContact CA-O 3.27Å; L213-Y225 HydrophobicContact CD2-CD2 3.85Å; L213-Y225 PolarHBondContact N-O 2.79Å; L213-Y225 PolarHBondContact O-N 3.14Å; A215-Y225 HydrophobicContact CB-CE2 4.44Å; E223-Y225 HydrophobicContact CB-CD2 4.35Å; E223-Y225 HydrophobicContact CB-CE2 3.59Å; E223-Y225 PolarHBondContact OE2-OH 3.39Å; Y225-Y227 PolarHBondContact O-N 2.96Å; Y225-V233 HydrophobicContact CD1-CG1 4.03Å
226	Y	79.9	Confident	74.3	Confident	63 Å²	63	41.6 Å²	41.6	25%	0.247	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	117.1	165.9	-70.9	-73.5	0	0	0	109.2	K206 N212 V233 L235 V239	K206-Y226 PolarHBondContact NZ-OH 2.83Å; N212-Y226 VanDerWaalsContact ND2-CD1 3.35Å; N212-Y226 WeakPolarHBondContact ND2-CD1 3.08Å; Y226-V233 WeakPolarHBondContact O-CA 3.42Å; Y226-L235 HydrophobicContact CD2-CB 4.25Å; Y226-V239 HydrophobicContact CD2-CG2 4.4Å; Y226-V239 HydrophobicContact CE2-CB 4.48Å; Y226-V239 HydrophobicContact CE2-CG2 3.53Å
227	Y	77.8	Confident	72.2	Confident	3 Å²	3	46.5 Å²	46.5	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.3	-173.3	176.5	-108.8	0	0	0	110.3	I148 E174 W186 L211 L213 Y225 I229	I148-Y227 HydrophobicContact CD1-CE1 3.64Å; I148-Y227 WeakPolarHBondContact CD1-OH 3.48Å; I148-Y227 HydrophobicContact CG1-CE1 4.48Å; E174-Y227 WeakPolarHBondContact OE2-CE2 3.38Å; E174-Y227 VanDerWaalsContact OE2-CZ 3.26Å; E174-Y227 PolarHBondContact OE2-OH 2.91Å; W186-Y227 HydrophobicContact CZ2-CD2 4.21Å; W186-Y227 AromaticContact CZ2-CE2 3.86Å; W186-Y227 HydrophobicContact CZ2-CE2 3.86Å; L211-Y227 HydrophobicContact CB-CD1 3.93Å; L211-Y227 HydrophobicContact CD1-CD1 4.17Å; L211-Y227 HydrophobicContact CD1-CE1 4.3Å; L211-Y227 PolarHBondContact O-N 3.27Å; L213-Y227 HydrophobicContact CB-CG 4.34Å; L213-Y227 HydrophobicContact CD1-CD2 4.34Å; Y225-Y227 PolarHBondContact O-N 2.96Å; Y227-I229 HydrophobicContact CE1-CG1 3.95Å
228	M	73.7	Confident	70.1	Confident	84 Å²	84	48.6 Å²	48.6	41%	0.414	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.8	172.5	-74.4	-113.5	-91.1	0	0	108.7	R230 Q231 G232 I234	M228-R230 PolarHBondContact O-N 3.21Å; M228-Q231 HydrophobicContact CB-CB 4Å; M228-Q231 CarbonylContact O-C 3.56Å; M228-Q231 PolarHBondContact O-N 2.82Å; M228-G232 PolarHBondContact N-O 3.38Å; M228-G232 PolarHBondContact O-N 2.85Å; M228-I234 HydrophobicContact CB-CD1 3.53Å; M228-I234 HydrophobicContact CB-CG1 3.95Å; M228-I234 HydrophobicContact CE-CD1 3.27Å; M228-I234 HydrophobicContact CG-CD1 3.45Å; M228-I234 VanDerWaalsContact CG-CD1 3.45Å; M228-I234 HydrophobicContact CG-CG1 4.06Å; M228-I234 HydrophobicContact SD-CD1 4.16Å
229	I	70.1	Confident	68.2	Low	65 Å²	65	51.3 Å²	51.3	33%	0.333	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	127.2	179.8	-66.9	158.8	0	0	0	110.1	M150 L162 L211 Y227 Q231	M150-I229 HydrophobicContact CE-CB 4.29Å; M150-I229 HydrophobicContact CE-CD1 4.09Å; M150-I229 HydrophobicContact CE-CG1 3.92Å; M150-I229 HydrophobicContact CE-CG2 3.4Å; M150-I229 VanDerWaalsContact CE-CG2 3.4Å; M150-I229 HydrophobicContact SD-CD1 3.43Å; M150-I229 WeakPolarHBondContact SD-CD1 3.36Å; M150-I229 HydrophobicContact SD-CG1 3.96Å; M150-I229 HydrophobicContact SD-CG2 3.89Å; L162-I229 HydrophobicContact CD1-CG2 3.87Å; L211-I229 HydrophobicContact CD1-CD1 3.73Å; L211-I229 HydrophobicContact CD1-CG1 3.84Å; L211-I229 HydrophobicContact CG-CD1 4.48Å; Y227-I229 HydrophobicContact CE1-CG1 3.95Å; I229-Q231 PolarHBondContact O-N 3.01Å
230	R	67.6	Low	66.7	Low	138 Å²	138	52.1 Å²	52.1	52%	0.521	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	-14.3	-178.3	-58.9	172	170.8	-133.6	-22.3	116.9	L162 M228	L162-R230 HydrophobicContact CD1-CG 3.78Å; M228-R230 PolarHBondContact O-N 3.21Å
231	Q	63.7	Low	65.2	Low	139 Å²	139	59.1 Å²	59.1	65%	0.65	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-13.1	172.7	-62.5	-174.3	9.1	0	0	111.4	M228 I229 I234	M228-Q231 HydrophobicContact CB-CB 4Å; M228-Q231 CarbonylContact O-C 3.56Å; M228-Q231 PolarHBondContact O-N 2.82Å; I229-Q231 PolarHBondContact O-N 3.01Å; Q231-I234 HydrophobicContact CB-CD1 4.03Å; Q231-I234 HydrophobicContact CB-CG1 4.33Å; Q231-I234 VanDerWaalsContact OE1-CD1 3.27Å
232	G	62.5	Low	63.8	Low	1 Å²	1	60.2 Å²	60.2	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77	-155.2	-178.2	0	0	0	0	0	112.6	M228 I234	M228-G232 PolarHBondContact N-O 3.38Å; M228-G232 PolarHBondContact O-N 2.85Å; G232-I234 PolarHBondContact O-N 3.16Å
233	V	61	Low	62.1	Low	31 Å²	31	62.2 Å²	62.2	19%	0.188	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	108.8	177.1	179.8	0	0	0	0	108.9	W186 Y225 Y226 I236	W186-V233 HydrophobicContact CH2-CG2 3.77Å; W186-V233 HydrophobicContact CZ2-CG2 4.17Å; W186-V233 HydrophobicContact CZ3-CG2 4.13Å; Y225-V233 HydrophobicContact CD1-CG1 4.03Å; Y226-V233 WeakPolarHBondContact O-CA 3.42Å; V233-I236 HydrophobicContact CG1-CG1 4.5Å
234	I	56.5	Low	60.3	Low	83 Å²	83	62.7 Å²	62.7	43%	0.426	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-30.1	-175.8	-59	-170.4	0	0	0	112	M228 Q231 G232	M228-I234 HydrophobicContact CB-CD1 3.53Å; M228-I234 HydrophobicContact CB-CG1 3.95Å; M228-I234 HydrophobicContact CE-CD1 3.27Å; M228-I234 HydrophobicContact CG-CD1 3.45Å; M228-I234 VanDerWaalsContact CG-CD1 3.45Å; M228-I234 HydrophobicContact CG-CG1 4.06Å; M228-I234 HydrophobicContact SD-CD1 4.16Å; Q231-I234 HydrophobicContact CB-CD1 4.03Å; Q231-I234 HydrophobicContact CB-CG1 4.33Å; Q231-I234 VanDerWaalsContact OE1-CD1 3.27Å; G232-I234 PolarHBondContact O-N 3.16Å
235	L	53.1	Low	58.2	Low	101 Å²	101	64.3 Å²	64.3	53%	0.529	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	112.7	179.8	-73.8	166.6	0	0	0	109.2	Y226 D237	Y226-L235 HydrophobicContact CD2-CB 4.25Å; L235-D237 PolarHBondContact O-N 3.4Å
236	I	52.8	Low	56.3	Low	107 Å²	107	69.3 Å²	69.3	55%	0.549	34%	0.344	S	S	.	.			trans	-79.7	63.1	163.7	-48.3	167.2	0	0	0	106.8	L188 V233	L188-I236 HydrophobicContact CD1-CD1 3.72Å; L188-I236 HydrophobicContact CD1-CG1 4.29Å; L188-I236 HydrophobicContact CD2-CG1 4.45Å; V233-I236 HydrophobicContact CG1-CG1 4.5Å
237	D	45.5	Very low	54.4	Low	103 Å²	103	76.9 Å²	76.9	55%	0.551	37%	0.374	S	S	*	.			trans	-104.7	101.6	163.5	-134.1	-2.8	0	0	0	103.7	L235 V239	L235-D237 PolarHBondContact O-N 3.4Å; D237-V239 HydrophobicContact CB-CG2 3.76Å; D237-V239 VanDerWaalsContact O-CG2 3.23Å; D237-V239 WeakPolarHBondContact O-CG2 3.29Å; D237-V239 PolarHBondContact O-N 2.7Å
238	C	45.9	Very low	52.5	Low	45 Å²	45	79.7 Å²	79.7	30%	0.304	39%	0.391	S	S	.	.			trans	-68.3	84.1	174.6	-176.9	0	0	0	0	106.6	V240	C238-V240 VanDerWaalsContact C-N 3.32Å; C238-V240 PolarHBondContact O-N 2.83Å
239	V	47.2	Very low	50.9	Low	62 Å²	62	83.9 Å²	83.9	38%	0.376	41%	0.407	S	S	.	.			trans	-75.1	-17.8	-161.5	172.8	0	0	0	0	113.5	Y226 D237	Y226-V239 HydrophobicContact CD2-CG2 4.4Å; Y226-V239 HydrophobicContact CE2-CB 4.48Å; Y226-V239 HydrophobicContact CE2-CG2 3.53Å; D237-V239 HydrophobicContact CB-CG2 3.76Å; D237-V239 VanDerWaalsContact O-CG2 3.23Å; D237-V239 WeakPolarHBondContact O-CG2 3.29Å; D237-V239 PolarHBondContact O-N 2.7Å
240	V	46.4	Very low	49.7	Very low	41 Å²	41	81.4 Å²	81.4	25%	0.248	40%	0.396	C	S	.	.			trans	-146.6	112	172.1	-169.3	0	0	0	0	110.4	I224 C238 V242 M284	I224-V240 HydrophobicContact CD1-CB 3.91Å; I224-V240 HydrophobicContact CD1-CG2 4.12Å; C238-V240 VanDerWaalsContact C-N 3.32Å; C238-V240 PolarHBondContact O-N 2.83Å; V240-V242 HydrophobicContact CG1-CG2 3.58Å; V240-V242 PolarHBondContact O-N 3.15Å; V240-M284 HydrophobicContact CG2-CE 3.71Å; V240-M284 HydrophobicContact CG2-SD 3.95Å
241	R	50.3	Low	49.4	Very low	150 Å²	150	77.3 Å²	77.3	57%	0.566	39%	0.388	S	S	*	.			trans	-80.6	93.3	162.5	-171.8	-173.7	-169.3	173.6	3.9	107.5	Q243	R241-Q243 HydrophobicContact CG-CB 4.29Å; R241-Q243 VanDerWaalsContact NE-OE1 3.09Å; R241-Q243 PolarHBondContact O-N 2.83Å
242	V	50.6	Low	49.6	Very low	33 Å²	33	70.9 Å²	70.9	20%	0.2	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	79.8	162.1	-171.5	0	0	0	0	106.5	V240 I244	V240-V242 HydrophobicContact CG1-CG2 3.58Å; V240-V242 PolarHBondContact O-N 3.15Å; V242-I244 VanDerWaalsContact C-N 3.25Å; V242-I244 HydrophobicContact CG1-CG1 3.82Å; V242-I244 PolarHBondContact O-N 2.92Å
243	Q	48.8	Very low	50.8	Low	47 Å²	47	70.9 Å²	70.9	22%	0.22	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	96.6	162	-135.2	-175	-50	0	0	105.4	R241 T245 D246	R241-Q243 HydrophobicContact CG-CB 4.29Å; R241-Q243 VanDerWaalsContact NE-OE1 3.09Å; R241-Q243 PolarHBondContact O-N 2.83Å; Q243-T245 WeakPolarHBondContact CG-OG1 3.2Å; Q243-T245 PolarHBondContact NE2-OG1 3.45Å; Q243-T245 PolarHBondContact O-N 2.81Å; Q243-D246 PolarHBondContact O-N 2.88Å
244	I	45.1	Very low	52.1	Low	10 Å²	10	69.4 Å²	69.4	5%	0.051	35%	0.35	C	S	.	.	H	α-helix	trans	-55.1	-19.9	177.1	-60.1	176.7	0	0	0	109.9	I222 V242 T248 C250 A272 F280	I222-I244 HydrophobicContact CD1-CD1 3.98Å; V242-I244 VanDerWaalsContact C-N 3.25Å; V242-I244 HydrophobicContact CG1-CG1 3.82Å; V242-I244 PolarHBondContact O-N 2.92Å; I244-T248 CarbonylContact C-O 3.46Å; I244-T248 PolarHBondContact O-N 3.15Å; I244-T248 VanDerWaalsContact O-N 3.15Å; I244-T248 PolarHBondContact O-OG1 3.41Å; I244-C250 HydrophobicContact CG2-CB 3.91Å; I244-A272 HydrophobicContact CD1-CB 4.42Å; I244-F280 HydrophobicContact CD1-CB 4.28Å; I244-F280 HydrophobicContact CD1-CD2 4.02Å; I244-F280 HydrophobicContact CD1-CG 4.14Å; I244-F280 HydrophobicContact CG2-CD1 3.73Å; I244-F280 HydrophobicContact CG2-CD2 4.16Å; I244-F280 HydrophobicContact CG2-CE1 3.63Å; I244-F280 HydrophobicContact CG2-CE2 4.08Å; I244-F280 HydrophobicContact CG2-CG 4Å; I244-F280 HydrophobicContact CG2-CZ 3.82Å
245	T	41.2	Very low	53.8	Low	42 Å²	42	68.3 Å²	68.3	26%	0.258	35%	0.347	S	S	.	.	H	α-helix	trans	-66.8	-27.5	173.3	62	0	0	0	0	116.2	Q243 T248	Q243-T245 WeakPolarHBondContact CG-OG1 3.2Å; Q243-T245 PolarHBondContact NE2-OG1 3.45Å; Q243-T245 PolarHBondContact O-N 2.81Å; T245-T248 CarbonylContact C-O 3.59Å; T245-T248 VanDerWaalsContact C-O 3.28Å; T245-T248 WeakPolarHBondContact CA-O 3.45Å; T245-T248 VanDerWaalsContact O-O 3.1Å
246	D	41.7	Very low	55.7	Low	108 Å²	108	65.5 Å²	65.5	58%	0.578	34%	0.339	S	S	*	.	H	α-helix	trans	-78	-26.1	-172.8	-77.6	-3.4	0	0	0	112.3	Q243	Q243-D246 PolarHBondContact O-N 2.88Å
247	Y	40	Very low	57.5	Low	221 Å²	221	60.9 Å²	60.9	87%	0.867	32%	0.315	S	S	*	.	H	α-helix	trans	-111.4	-15.2	179.4	-61.3	-79.1	0	0	0	113.2
248	T	38	Very low	59.7	Low	62 Å²	62	60.9 Å²	60.9	38%	0.38	31%	0.312	S	S	.	.	S	Bend	trans	-145.2	137.9	171.7	49.7	0	0	0	0	109.6	I244 T245 C250	I244-T248 CarbonylContact C-O 3.46Å; I244-T248 PolarHBondContact O-N 3.15Å; I244-T248 VanDerWaalsContact O-N 3.15Å; I244-T248 PolarHBondContact O-OG1 3.41Å; T245-T248 CarbonylContact C-O 3.59Å; T245-T248 VanDerWaalsContact C-O 3.28Å; T245-T248 WeakPolarHBondContact CA-O 3.45Å; T245-T248 VanDerWaalsContact O-O 3.1Å; T248-C250 PolarHBondContact O-N 3.32Å
249	K	41	Very low	61.8	Low	172 Å²	172	59.3 Å²	59.3	75%	0.748	30%	0.302	S	S	*	.			trans	-67.6	65.2	170.2	-76.6	-174.3	176	-175.1	0	111.4
250	C	44.5	Very low	63.7	Low	13 Å²	13	56.9 Å²	56.9	9%	0.088	29%	0.289	C	S	.	.			trans	-110.9	75.9	175.9	-68	0	0	0	0	107.5	I244 T248 G252 K278 F280	I244-C250 HydrophobicContact CG2-CB 3.91Å; T248-C250 PolarHBondContact O-N 3.32Å; C250-G252 PolarHBondContact O-N 2.9Å; C250-K278 PolarHBondContact SG-NZ 3.04Å; C250-F280 HydrophobicContact CB-CE1 4.42Å; C250-F280 HydrophobicContact CB-CZ 3.82Å; C250-F280 WeakPolarHBondContact SG-CZ 3.27Å
251	S	60.6	Low	65.6	Low	52 Å²	52	61 Å²	61	36%	0.364	30%	0.301	S	S	.	.			trans	-74.9	102.4	161.8	53.4	0	0	0	0	107.7	T423	S251-T423 PolarHBondContact O-OG1 3.45Å
252	G	69.8	Low	67.3	Low	4 Å²	4	56.8 Å²	56.8	4%	0.041	29%	0.287	C	S	.	.			trans	-170.8	150.3	175.9	0	0	0	0	0	112	G220 C250 V254 E371	G220-G252 WeakPolarHBondContact CA-O 3.33Å; C250-G252 PolarHBondContact O-N 2.9Å; G252-V254 PolarHBondContact O-N 3.4Å; G252-E371 VanDerWaalsContact CA-OE1 3.22Å; G252-E371 WeakPolarHBondContact CA-OE1 3.49Å
253	N	85.8	Confident	68.7	Low	2 Å²	2	58 Å²	58	1%	0.011	29%	0.294	C	S	.	.			trans	-55.8	127.2	178.6	173.6	-2.8	0	0	0	111.6	N198 D218 V255 T274 Y275 E371	N198-N253 VanDerWaalsContact ND2-CG 3.26Å; N198-N253 PolarHBondContact ND2-ND2 2.85Å; N198-N253 PolarHBondContact ND2-OD1 2.81Å; D218-N253 VanDerWaalsContact O-CA 3.25Å; D218-N253 WeakPolarHBondContact O-CA 3.14Å; D218-N253 VanDerWaalsContact OD1-CB 3.27Å; D218-N253 WeakPolarHBondContact OD1-CB 3.26Å; D218-N253 PolarHBondContact OD1-ND2 3.49Å; D218-N253 PolarHBondContact OD1-OD1 3.23Å; N253-V255 PolarHBondContact O-N 3.18Å; N253-T274 CarbonylContact O-C 3.52Å; N253-T274 WeakPolarHBondContact O-CA 3.44Å; N253-Y275 PolarHBondContact O-N 2.86Å; N253-E371 WeakPolarHBondContact CB-OE2 3.49Å; N253-E371 PolarHBondContact N-OE1 2.85Å; N253-E371 PolarHBondContact N-OE2 3.08Å
254	V	89.4	Confident	70.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	105.4	168.1	-175.2	0	0	0	0	109.1	N198 R217 I222 G252 V257 A272 C273	N198-V254 WeakPolarHBondContact CB-O 3.48Å; R217-V254 PolarHBondContact O-N 3.44Å; R217-V254 VanDerWaalsContact O-N 3.16Å; I222-V254 HydrophobicContact CG1-CG1 4.37Å; I222-V254 HydrophobicContact CG1-CG2 4.1Å; G252-V254 PolarHBondContact O-N 3.4Å; V254-V257 HydrophobicContact CG1-CG2 3.57Å; V254-A272 HydrophobicContact CG1-CB 4.3Å; V254-C273 CarbonylContact C-O 3.58Å; V254-C273 WeakPolarHBondContact CA-O 3.42Å
255	V	92	Very high	71.9	Confident	59 Å²	59	64 Å²	64	36%	0.358	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-19.1	-176.3	-62.9	0	0	0	0	113.6	N253 C273	N253-V255 PolarHBondContact O-N 3.18Å; V255-C273 HydrophobicContact CG2-CB 4.09Å; V255-C273 WeakPolarHBondContact CG2-O 3.47Å; V255-C273 PolarHBondContact N-O 3.36Å
256	A	92.8	Very high	73.7	Confident	43 Å²	43	67.3 Å²	67.3	36%	0.355	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	146.3	177.3	0	0	0	0	0	110.7	A272 C273	A256-A272 WeakPolarHBondContact O-CA 3.47Å; A256-C273 HydrophobicContact CB-CB 4.14Å; A256-C273 PolarHBondContact N-O 3.01Å; A256-C273 PolarHBondContact O-N 3.26Å
257	V	91.7	Very high	75.5	Confident	9 Å²	9	65.3 Å²	65.3	6%	0.055	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133.7	172.7	179.4	0	0	0	0	107.7	A199 L214 V254 I270 L271 A272	A199-V257 HydrophobicContact CB-CB 4.2Å; A199-V257 HydrophobicContact CB-CG2 3.92Å; L214-V257 HydrophobicContact CB-CG1 4.03Å; L214-V257 HydrophobicContact CD1-CG1 4.08Å; V254-V257 HydrophobicContact CG1-CG2 3.57Å; V257-I270 HydrophobicContact CG1-CG2 3.76Å; V257-L271 CarbonylContact C-O 3.55Å; V257-L271 WeakPolarHBondContact CA-O 3.47Å; V257-A272 HydrophobicContact CG2-CB 4.48Å
258	Q	91.4	Very high	77.7	Confident	103 Å²	103	56.4 Å²	56.4	48%	0.481	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	155.6	173.7	-74	-162.3	-14.7	0	0	111	E201 F262 I270 L271	E201-Q258 VanDerWaalsContact OE1-CA 3.31Å; E201-Q258 WeakPolarHBondContact OE1-CA 3.3Å; E201-Q258 WeakPolarHBondContact OE2-CA 3.28Å; E201-Q258 PolarHBondContact OE2-N 3.45Å; Q258-F262 HydrophobicContact CB-CZ 4.01Å; Q258-I270 CarbonylContact O-C 3.58Å; Q258-L271 PolarHBondContact N-O 2.75Å; Q258-L271 WeakPolarHBondContact O-CA 3.32Å; Q258-L271 PolarHBondContact O-N 2.95Å
259	S	89	Confident	79.9	Confident	13 Å²	13	54.2 Å²	54.2	9%	0.091	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.6	-174.3	-63.3	0	0	0	0	110.2	E201 L214 E269	E201-S259 PolarHBondContact OE1-N 3.02Å; E201-S259 VanDerWaalsContact OE2-CB 3.25Å; E201-S259 WeakPolarHBondContact OE2-CB 3.4Å; E201-S259 PolarHBondContact OE2-N 3.42Å; E201-S259 PolarHBondContact OE2-OG 2.78Å; L214-S259 WeakPolarHBondContact CD1-OG 3.32Å; S259-E269 WeakPolarHBondContact CA-O 3.32Å
260	G	88.1	Confident	82.2	Confident	10 Å²	10	46.4 Å²	46.4	10%	0.103	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154	-152.8	-179.2	0	0	0	0	0	112.5	Q268 E269	G260-Q268 CarbonylContact O-C 3.42Å; G260-Q268 WeakPolarHBondContact O-CA 3.48Å; G260-E269 PolarHBondContact N-O 2.85Å; G260-E269 PolarHBondContact O-N 3.27Å
261	Y	86.7	Confident	84.3	Confident	128 Å²	128	47.1 Å²	47.1	50%	0.502	26%	0.262	S	S	.	.			trans	-105.8	95.7	-174.4	-62.3	-84.9	0	0	0	109.6	T264 K267 Q268	Y261-T264 WeakPolarHBondContact CB-O 3.46Å; Y261-K267 VanDerWaalsContact CD1-O 3.28Å; Y261-K267 WeakPolarHBondContact CD1-O 2.92Å; Y261-Q268 HydrophobicContact CD1-CG 4.21Å; Y261-Q268 HydrophobicContact CD2-CG 4.42Å; Y261-Q268 HydrophobicContact CE1-CG 3.56Å; Y261-Q268 HydrophobicContact CE2-CG 3.8Å; Y261-Q268 WeakPolarHBondContact OH-CG 3.32Å; Y261-Q268 PolarHBondContact OH-NE2 3.14Å
262	F	85.7	Confident	85.7	Confident	61 Å²	61	44.8 Å²	44.8	27%	0.268	25%	0.246	S	C	.	.	S	Bend	trans	-104	-54.7	-174	-59.3	-76.2	0	0	0	112.8	Q258 E269 L271	Q258-F262 HydrophobicContact CB-CZ 4.01Å; F262-E269 HydrophobicContact CD2-CB 4.17Å; F262-E269 WeakPolarHBondContact CE2-O 3.24Å; F262-L271 HydrophobicContact CD1-CD2 3.92Å; F262-L271 HydrophobicContact CD2-CB 3.84Å; F262-L271 HydrophobicContact CE1-CB 4.31Å; F262-L271 HydrophobicContact CE1-CD2 3.77Å; F262-L271 HydrophobicContact CE2-CB 3.54Å; F262-L271 HydrophobicContact CE2-CD2 4.49Å; F262-L271 HydrophobicContact CG-CB 4.35Å; F262-L271 HydrophobicContact CG-CD2 4.35Å; F262-L271 HydrophobicContact CZ-CB 3.8Å; F262-L271 HydrophobicContact CZ-CD2 4.08Å
263	T	79.9	Confident	86.6	Confident	59 Å²	59	46 Å²	46	36%	0.362	25%	0.254	S	S	.	.	S	Bend	trans	-92.5	-26.7	-177.8	80.2	0	0	0	0	113	E269 A281	T263-E269 WeakPolarHBondContact CB-OE2 3.4Å; T263-E269 VanDerWaalsContact CG2-OE2 3.3Å; T263-E269 WeakPolarHBondContact CG2-OE2 3.31Å; T263-E269 PolarHBondContact N-OE2 3.04Å; T263-E269 PolarHBondContact OG1-OE1 2.96Å; T263-E269 PolarHBondContact OG1-OE2 3.26Å; T263-E269 VanDerWaalsContact OG1-OE2 3.11Å; T263-A281 HydrophobicContact CG2-CB 4.44Å
264	T	77.9	Confident	86.8	Confident	52 Å²	52	46.1 Å²	46.1	32%	0.319	26%	0.255	S	S	.	.			trans	-137.1	154.1	177.1	71.9	0	0	0	0	110.4	Y261 T266 K267	Y261-T264 WeakPolarHBondContact CB-O 3.46Å; T264-T266 VanDerWaalsContact C-N 3.28Å; T264-K267 WeakPolarHBondContact OG1-CB 3.29Å; T264-K267 PolarHBondContact OG1-N 3.05Å; T264-K267 VanDerWaalsContact OG1-N 3.15Å
265	T	82	Confident	86.8	Confident	131 Å²	131	48.4 Å²	48.4	80%	0.804	26%	0.263	S	S	*	.	S	Bend	trans	-83.6	-4.1	176.5	54.4	0	0	0	0	113.4
266	T	79.8	Confident	86.5	Confident	111 Å²	111	47.5 Å²	47.5	68%	0.681	26%	0.26	S	S	*	.	S	Bend	trans	-110.8	-26.9	-172.6	54.4	0	0	0	0	113.1	T264	T264-T266 VanDerWaalsContact C-N 3.28Å
267	K	80	Confident	86.2	Confident	67 Å²	67	48 Å²	48	29%	0.291	27%	0.269	S	S	.	.	S	Bend	trans	-113.2	130.7	-177.7	-55.6	179.1	176.4	-136.1	0	110.1	Y261 T264 D285	Y261-K267 VanDerWaalsContact CD1-O 3.28Å; Y261-K267 WeakPolarHBondContact CD1-O 2.92Å; T264-K267 WeakPolarHBondContact OG1-CB 3.29Å; T264-K267 PolarHBondContact OG1-N 3.05Å; T264-K267 VanDerWaalsContact OG1-N 3.15Å; K267-D285 HydrophobicContact CD-CB 4.47Å; K267-D285 WeakPolarHBondContact CD-OD2 3.17Å; K267-D285 WeakPolarHBondContact CE-OD2 3.29Å; K267-D285 WeakPolarHBondContact CG-OD2 3.46Å; K267-D285 IonicContact NZ-OD2 2.69Å; K267-D285 PolarHBondContact NZ-OD2 3.5Å
268	Q	84.4	Confident	85.9	Confident	34 Å²	34	52 Å²	52	16%	0.159	29%	0.286	C	S	.	.			trans	-75.8	145.2	168.8	-66.4	-166.2	8.2	0	0	110.4	H203 D204 L205 G260 Y261	H203-Q268 PolarHBondContact CD2-OE1 3.23Å; H203-Q268 PolarHBondContact NE2-OE1 2.92Å; H203-Q268 VanDerWaalsContact NE2-OE1 3.17Å; D204-Q268 PolarHBondContact O-NE2 2.71Å; D204-Q268 PolarHBondContact O-OE1 2.84Å; L205-Q268 PolarHBondContact O-OE1 2.67Å; G260-Q268 CarbonylContact O-C 3.42Å; G260-Q268 WeakPolarHBondContact O-CA 3.48Å; Y261-Q268 HydrophobicContact CD1-CG 4.21Å; Y261-Q268 HydrophobicContact CD2-CG 4.42Å; Y261-Q268 HydrophobicContact CE1-CG 3.56Å; Y261-Q268 HydrophobicContact CE2-CG 3.8Å; Y261-Q268 WeakPolarHBondContact OH-CG 3.32Å; Y261-Q268 PolarHBondContact OH-NE2 3.14Å
269	E	86.2	Confident	85.6	Confident	15 Å²	15	51.6 Å²	51.6	7%	0.07	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	148.6	-176.1	-60.6	176.3	136.5	0	0	109.3	S259 G260 F262 T263 C282	S259-E269 WeakPolarHBondContact CA-O 3.32Å; G260-E269 PolarHBondContact N-O 2.85Å; G260-E269 PolarHBondContact O-N 3.27Å; F262-E269 HydrophobicContact CD2-CB 4.17Å; F262-E269 WeakPolarHBondContact CE2-O 3.24Å; T263-E269 WeakPolarHBondContact CB-OE2 3.4Å; T263-E269 VanDerWaalsContact CG2-OE2 3.3Å; T263-E269 WeakPolarHBondContact CG2-OE2 3.31Å; T263-E269 PolarHBondContact N-OE2 3.04Å; T263-E269 PolarHBondContact OG1-OE1 2.96Å; T263-E269 PolarHBondContact OG1-OE2 3.26Å; T263-E269 VanDerWaalsContact OG1-OE2 3.11Å; E269-C282 CarbonylContact C-O 3.58Å; E269-C282 WeakPolarHBondContact CA-O 3.33Å
270	I	87.9	Confident	85.3	Confident	9 Å²	9	52.8 Å²	52.8	5%	0.046	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.9	170.5	-59.4	166	0	0	0	107.2	L205 L214 I224 V257 Q258 A281 C282	L205-I270 HydrophobicContact CD1-CD1 4.13Å; L205-I270 HydrophobicContact CD2-CD1 4.49Å; L205-I270 HydrophobicContact CD2-CG1 4.03Å; L214-I270 HydrophobicContact CD1-CD1 4.37Å; L214-I270 HydrophobicContact CD1-CG1 4.16Å; L214-I270 HydrophobicContact CD1-CG2 4.27Å; L214-I270 HydrophobicContact CD2-CD1 3.76Å; L214-I270 HydrophobicContact CD2-CG1 4.42Å; I224-I270 HydrophobicContact CD1-CD1 3.53Å; V257-I270 HydrophobicContact CG1-CG2 3.76Å; Q258-I270 CarbonylContact O-C 3.58Å; I270-A281 CarbonylContact O-C 3.58Å; I270-A281 WeakPolarHBondContact O-CA 3.27Å; I270-C282 PolarHBondContact N-O 3.37Å; I270-C282 PolarHBondContact O-N 3.09Å
271	L	89.3	Confident	85	Confident	27 Å²	27	54.7 Å²	54.7	14%	0.141	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	123.6	174.4	-175.1	70.8	0	0	0	109.7	V257 Q258 F262 L279 F280 A281	V257-L271 CarbonylContact C-O 3.55Å; V257-L271 WeakPolarHBondContact CA-O 3.47Å; Q258-L271 PolarHBondContact N-O 2.75Å; Q258-L271 WeakPolarHBondContact O-CA 3.32Å; Q258-L271 PolarHBondContact O-N 2.95Å; F262-L271 HydrophobicContact CD1-CD2 3.92Å; F262-L271 HydrophobicContact CD2-CB 3.84Å; F262-L271 HydrophobicContact CE1-CB 4.31Å; F262-L271 HydrophobicContact CE1-CD2 3.77Å; F262-L271 HydrophobicContact CE2-CB 3.54Å; F262-L271 HydrophobicContact CE2-CD2 4.49Å; F262-L271 HydrophobicContact CG-CB 4.35Å; F262-L271 HydrophobicContact CG-CD2 4.35Å; F262-L271 HydrophobicContact CZ-CB 3.8Å; F262-L271 HydrophobicContact CZ-CD2 4.08Å; L271-L279 HydrophobicContact CD1-CB 4.43Å; L271-F280 CarbonylContact C-O 3.51Å; L271-F280 VanDerWaalsContact CA-O 3.32Å; L271-F280 WeakPolarHBondContact CA-O 3.13Å; L271-A281 HydrophobicContact CD1-CB 4.23Å
272	A	88.9	Confident	84.7	Confident	3 Å²	3	50.2 Å²	50.2	3%	0.025	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.1	176.4	0	0	0	0	0	111.3	I222 I244 V254 A256 V257 L279 F280	I222-A272 HydrophobicContact CD1-CB 3.43Å; I222-A272 VanDerWaalsContact CD1-CB 3.43Å; I244-A272 HydrophobicContact CD1-CB 4.42Å; V254-A272 HydrophobicContact CG1-CB 4.3Å; A256-A272 WeakPolarHBondContact O-CA 3.47Å; V257-A272 HydrophobicContact CG2-CB 4.48Å; A272-L279 CarbonylContact O-C 3.51Å; A272-L279 WeakPolarHBondContact O-CA 3.29Å; A272-F280 PolarHBondContact N-O 2.91Å; A272-F280 PolarHBondContact O-N 3.3Å
273	C	90.4	Very high	84.3	Confident	31 Å²	31	49.8 Å²	49.8	21%	0.209	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.9	173.8	-169.7	0	0	0	0	109.9	V254 V255 A256 L279	V254-C273 CarbonylContact C-O 3.58Å; V254-C273 WeakPolarHBondContact CA-O 3.42Å; V255-C273 HydrophobicContact CG2-CB 4.09Å; V255-C273 WeakPolarHBondContact CG2-O 3.47Å; V255-C273 PolarHBondContact N-O 3.36Å; A256-C273 HydrophobicContact CB-CB 4.14Å; A256-C273 PolarHBondContact N-O 3.01Å; A256-C273 PolarHBondContact O-N 3.26Å; C273-L279 HydrophobicContact CB-CD2 3.72Å
274	T	89.1	Confident	83.7	Confident	4 Å²	4	52.2 Å²	52.2	3%	0.025	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	160	172.3	58.5	0	0	0	0	111.7	N253 S276 G277 K278 F280	N253-T274 CarbonylContact O-C 3.52Å; N253-T274 WeakPolarHBondContact O-CA 3.44Å; T274-S276 PolarHBondContact O-N 3.3Å; T274-S276 VanDerWaalsContact O-N 3.14Å; T274-S276 PolarHBondContact OG1-OG 3.09Å; T274-G277 WeakPolarHBondContact O-CA 3.11Å; T274-G277 PolarHBondContact O-N 2.86Å; T274-K278 PolarHBondContact N-O 3.05Å; T274-K278 WeakPolarHBondContact OG1-CB 3.26Å; T274-K278 PolarHBondContact OG1-N 3Å; T274-K278 PolarHBondContact OG1-O 2.63Å; T274-F280 HydrophobicContact CG2-CD2 4.17Å; T274-F280 HydrophobicContact CG2-CE2 3.6Å
275	Y	88.7	Confident	83.1	Confident	47 Å²	47	53.3 Å²	53.3	18%	0.184	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-35.4	175.7	172.4	-102.9	0	0	0	113.6	N253 G277 E354 E371	N253-Y275 PolarHBondContact O-N 2.86Å; Y275-G277 PolarHBondContact O-N 2.93Å; Y275-G277 VanDerWaalsContact O-N 3.12Å; Y275-E354 HydrophobicContact CD2-CB 4.09Å; Y275-E354 HydrophobicContact CD2-CG 4.4Å; Y275-E354 HydrophobicContact CE1-CB 4.25Å; Y275-E354 HydrophobicContact CE2-CB 3.43Å; Y275-E354 VanDerWaalsContact CE2-CB 3.43Å; Y275-E354 HydrophobicContact CE2-CG 4.1Å; Y275-E354 VanDerWaalsContact CZ-CB 3.49Å; Y275-E354 PolarHBondContact OH-N 2.85Å; Y275-E371 HydrophobicContact CD1-CB 3.91Å; Y275-E371 HydrophobicContact CD1-CG 3.53Å; Y275-E371 HydrophobicContact CE1-CB 4.04Å; Y275-E371 HydrophobicContact CE1-CG 4Å; Y275-E371 VanDerWaalsContact CE1-O 3.27Å; Y275-E371 WeakPolarHBondContact CE1-O 3.47Å; Y275-E371 HydrophobicContact CG-CG 4.34Å; Y275-E371 PolarHBondContact OH-O 3.36Å
276	S	85.4	Confident	81.9	Confident	41 Å²	41	53.3 Å²	53.3	29%	0.287	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-4.1	175	68.7	0	0	0	0	115	T274 K278	T274-S276 PolarHBondContact O-N 3.3Å; T274-S276 VanDerWaalsContact O-N 3.14Å; T274-S276 PolarHBondContact OG1-OG 3.09Å; S276-K278 WeakPolarHBondContact OG-CG 3.45Å
277	G	87.1	Confident	80.3	Confident	54 Å²	54	52.5 Å²	52.5	56%	0.557	30%	0.295	S	S	*	.	S	Bend	trans	83.5	11.7	-178.2	0	0	0	0	0	114.6	T274 Y275	T274-G277 WeakPolarHBondContact O-CA 3.11Å; T274-G277 PolarHBondContact O-N 2.86Å; Y275-G277 PolarHBondContact O-N 2.93Å; Y275-G277 VanDerWaalsContact O-N 3.12Å
278	K	85.2	Confident	78.6	Confident	93 Å²	93	57.9 Å²	57.9	40%	0.404	32%	0.318	S	S	.	.			trans	-78.1	131	173.6	-59.8	171.2	-174.7	169.6	0	109.7	C250 T274 S276 F280	C250-K278 PolarHBondContact SG-NZ 3.04Å; T274-K278 PolarHBondContact N-O 3.05Å; T274-K278 WeakPolarHBondContact OG1-CB 3.26Å; T274-K278 PolarHBondContact OG1-N 3Å; T274-K278 PolarHBondContact OG1-O 2.63Å; S276-K278 WeakPolarHBondContact OG-CG 3.45Å; K278-F280 HydrophobicContact CB-CD2 4.41Å; K278-F280 HydrophobicContact CB-CE2 3.44Å; K278-F280 VanDerWaalsContact CB-CE2 3.44Å; K278-F280 HydrophobicContact CB-CZ 3.59Å; K278-F280 HydrophobicContact CD-CE2 4.38Å; K278-F280 HydrophobicContact CD-CZ 3.85Å; K278-F280 HydrophobicContact CG-CZ 4.38Å
279	L	86.6	Confident	76.1	Confident	94 Å²	94	60.4 Å²	60.4	49%	0.492	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133.2	174	-63.6	173.4	0	0	0	110	L3 L271 A272 C273	L3-L279 HydrophobicContact CD1-CD1 4.11Å; L271-L279 HydrophobicContact CD1-CB 4.43Å; A272-L279 CarbonylContact O-C 3.51Å; A272-L279 WeakPolarHBondContact O-CA 3.29Å; C273-L279 HydrophobicContact CB-CD2 3.72Å
280	F	81.7	Confident	73.4	Confident	37 Å²	37	64.8 Å²	64.8	16%	0.162	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	130.7	177.9	-57.3	-88.6	0	0	0	109.1	I244 C250 L271 A272 T274 K278	I244-F280 HydrophobicContact CD1-CB 4.28Å; I244-F280 HydrophobicContact CD1-CD2 4.02Å; I244-F280 HydrophobicContact CD1-CG 4.14Å; I244-F280 HydrophobicContact CG2-CD1 3.73Å; I244-F280 HydrophobicContact CG2-CD2 4.16Å; I244-F280 HydrophobicContact CG2-CE1 3.63Å; I244-F280 HydrophobicContact CG2-CE2 4.08Å; I244-F280 HydrophobicContact CG2-CG 4Å; I244-F280 HydrophobicContact CG2-CZ 3.82Å; C250-F280 HydrophobicContact CB-CE1 4.42Å; C250-F280 HydrophobicContact CB-CZ 3.82Å; C250-F280 WeakPolarHBondContact SG-CZ 3.27Å; L271-F280 CarbonylContact C-O 3.51Å; L271-F280 VanDerWaalsContact CA-O 3.32Å; L271-F280 WeakPolarHBondContact CA-O 3.13Å; A272-F280 PolarHBondContact N-O 2.91Å; A272-F280 PolarHBondContact O-N 3.3Å; T274-F280 HydrophobicContact CG2-CD2 4.17Å; T274-F280 HydrophobicContact CG2-CE2 3.6Å; K278-F280 HydrophobicContact CB-CD2 4.41Å; K278-F280 HydrophobicContact CB-CE2 3.44Å; K278-F280 VanDerWaalsContact CB-CE2 3.44Å; K278-F280 HydrophobicContact CB-CZ 3.59Å; K278-F280 HydrophobicContact CD-CE2 4.38Å; K278-F280 HydrophobicContact CD-CZ 3.85Å; K278-F280 HydrophobicContact CG-CZ 4.38Å
281	A	82.6	Confident	70.8	Confident	50 Å²	50	70.4 Å²	70.4	41%	0.413	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.3	171.6	0	0	0	0	0	108.9	T263 I270 L271	T263-A281 HydrophobicContact CG2-CB 4.44Å; I270-A281 CarbonylContact O-C 3.58Å; I270-A281 WeakPolarHBondContact O-CA 3.27Å; L271-A281 HydrophobicContact CD1-CB 4.23Å
282	C	79.3	Confident	68.3	Low	34 Å²	34	77.7 Å²	77.7	23%	0.23	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.2	176.4	-63.3	0	0	0	0	108.7	E269 I270	E269-C282 CarbonylContact C-O 3.58Å; E269-C282 WeakPolarHBondContact CA-O 3.33Å; I270-C282 PolarHBondContact N-O 3.37Å; I270-C282 PolarHBondContact O-N 3.09Å
283	T	77.8	Confident	65.7	Low	52 Å²	52	87.3 Å²	87.3	32%	0.319	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	144.5	171.6	-174.6	0	0	0	0	109
284	M	67.8	Low	63	Low	111 Å²	111	92.3 Å²	92.3	55%	0.547	50%	0.495	S	S	.	.	S	Bend	trans	-75.4	-17	176.4	-65.6	-63	-72	0	0	112.4	V240	V240-M284 HydrophobicContact CG2-CE 3.71Å; V240-M284 HydrophobicContact CG2-SD 3.95Å
285	D	65.7	Low	60.6	Low	75 Å²	75	101.5 Å²	101.5	40%	0.401	54%	0.538	S	S	.	.	S	Bend	trans	-74.9	141.7	176.2	-71.5	-16.1	0	0	0	110.2	K267 P287	K267-D285 HydrophobicContact CD-CB 4.47Å; K267-D285 WeakPolarHBondContact CD-OD2 3.17Å; K267-D285 WeakPolarHBondContact CE-OD2 3.29Å; K267-D285 WeakPolarHBondContact CG-OD2 3.46Å; K267-D285 IonicContact NZ-OD2 2.69Å; K267-D285 PolarHBondContact NZ-OD2 3.5Å; D285-P287 WeakPolarHBondContact O-CD 3.38Å; D285-P287 VanDerWaalsContact O-N 3.13Å
286	E	56	Low	58.1	Low	130 Å²	130	105.7 Å²	105.7	61%	0.607	56%	0.563	S	S	*	*			trans	-53.4	125.3	171.3	-85.1	-173.7	-168.6	0	0	109	F288 T289	E286-F288 PolarHBondContact O-N 3.24Å; E286-T289 WeakPolarHBondContact CB-OG1 2.92Å; E286-T289 WeakPolarHBondContact OE2-CB 3.37Å; E286-T289 VanDerWaalsContact OE2-CG2 3.23Å; E286-T289 WeakPolarHBondContact OE2-CG2 3.37Å; E286-T289 PolarHBondContact OE2-OG1 3.1Å
287	P	47.3	Very low	55.7	Low	95 Å²	95	109.3 Å²	109.3	62%	0.617	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	115.7	164.5	28.1	-29.8	0	0	0	104	D285	D285-P287 WeakPolarHBondContact O-CD 3.38Å; D285-P287 VanDerWaalsContact O-N 3.13Å
288	F	43.9	Very low	53.5	Low	179 Å²	179	108.7 Å²	108.7	79%	0.785	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	94.6	14	171.9	-42	-70.2	0	0	0	120.7	E286	E286-F288 PolarHBondContact O-N 3.24Å
289	T	30.5	Very low	51.3	Low	87 Å²	87	106.4 Å²	106.4	53%	0.534	59%	0.588	S	S	.	*			trans	-132.7	93	172.7	54.8	0	0	0	0	114.9	E286	E286-T289 WeakPolarHBondContact CB-OG1 2.92Å; E286-T289 WeakPolarHBondContact OE2-CB 3.37Å; E286-T289 VanDerWaalsContact OE2-CG2 3.23Å; E286-T289 WeakPolarHBondContact OE2-CG2 3.37Å; E286-T289 PolarHBondContact OE2-OG1 3.1Å
290	S	31.5	Very low	49.1	Very low	107 Å²	107	108.7 Å²	108.7	75%	0.748	60%	0.6	S	S	*	*			trans	-156.7	63.3	145.4	38.4	0	0	0	0	108.4
291	M	33.1	Very low	47	Very low	128 Å²	128	114.1 Å²	114.1	63%	0.631	63%	0.626	S	S	*	*			trans	-93.9	97.6	149.5	-74.4	-170.9	79.1	0	0	105.7	A299	M291-A299 HydrophobicContact CE-CB 3.86Å; M291-A299 HydrophobicContact SD-CB 3.99Å
292	E	36.5	Very low	45.1	Very low	180 Å²	180	117 Å²	117	84%	0.841	63%	0.634	S	S	*	*			trans	-51.7	141.8	156.9	-69.3	-171.3	154.9	0	0	108.1	D294	E292-D294 VanDerWaalsContact C-N 3.27Å; E292-D294 PolarHBondContact O-N 2.79Å
293	K	33.9	Very low	43.3	Very low	205 Å²	205	122.8 Å²	122.8	89%	0.891	66%	0.655	S	S	*	*			trans	-58.9	84.8	-176.2	-68	173	175.7	174.5	0	111
294	D	34.3	Very low	41.4	Very low	135 Å²	135	127.6 Å²	127.6	72%	0.722	67%	0.672	S	S	*	*			trans	-101.4	114.5	161.3	-109.5	-14.9	0	0	0	108.4	E292 N296	E292-D294 VanDerWaalsContact C-N 3.27Å; E292-D294 PolarHBondContact O-N 2.79Å; D294-N296 PolarHBondContact O-N 3.19Å
295	E	37.2	Very low	40.4	Very low	197 Å²	197	124.9 Å²	124.9	92%	0.921	66%	0.664	S	S	*	*			trans	-70.9	31.4	-176	-63.7	-173.1	147.7	0	0	113.7
296	N	36.3	Very low	39.7	Very low	135 Å²	135	123.5 Å²	123.5	72%	0.722	66%	0.661	S	S	*	*	S	Bend	trans	-107.8	127.7	177.7	-79.9	-33	0	0	0	111.4	D294 G298	D294-N296 PolarHBondContact O-N 3.19Å; N296-G298 PolarHBondContact O-N 3.43Å
297	A	36.2	Very low	39.7	Very low	118 Å²	118	122 Å²	122	98%	0.975	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	57.9	-172.4	0	0	0	0	0	115.4
298	G	40.6	Very low	40.4	Very low	40 Å²	40	120.6 Å²	120.6	41%	0.412	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.3	-9	173.6	0	0	0	0	0	115	N296 L300 E301	N296-G298 PolarHBondContact O-N 3.43Å; G298-L300 PolarHBondContact O-N 3.42Å; G298-E301 PolarHBondContact O-N 2.89Å
299	A	39	Very low	41.6	Very low	45 Å²	45	117.9 Å²	117.9	37%	0.372	64%	0.64	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.6	-4.1	-169.9	0	0	0	0	0	116.3	M291	M291-A299 HydrophobicContact CE-CB 3.86Å; M291-A299 HydrophobicContact SD-CB 3.99Å
300	L	39.1	Very low	43.6	Very low	142 Å²	142	118.4 Å²	118.4	74%	0.743	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-27.7	177.3	-137.1	85.9	0	0	0	112.4	G298 F304	G298-L300 PolarHBondContact O-N 3.42Å; L300-F304 PolarHBondContact O-N 2.96Å
301	E	39.3	Very low	45.8	Very low	152 Å²	152	118.3 Å²	118.3	71%	0.71	63%	0.63	S	S	*	*	H	α-helix	trans	-74.7	-32.5	-176.5	-70.6	-174.8	159	0	0	112.2	G298 F304 S305	G298-E301 PolarHBondContact O-N 2.89Å; E301-F304 PolarHBondContact O-N 3.14Å; E301-S305 WeakPolarHBondContact O-CB 3.48Å; E301-S305 PolarHBondContact O-N 3.49Å; E301-S305 PolarHBondContact O-OG 3.3Å
302	D	41.8	Very low	48	Very low	109 Å²	109	115.3 Å²	115.3	58%	0.583	62%	0.621	S	S	*	*	H	α-helix	trans	-75.9	-29.4	179.9	-76.3	-24	0	0	0	114.1	S305 S306	D302-S305 VanDerWaalsContact CA-OG 3.26Å; D302-S305 WeakPolarHBondContact CA-OG 3.45Å; D302-S305 PolarHBondContact O-OG 2.94Å; D302-S305 VanDerWaalsContact O-OG 3.09Å; D302-S306 PolarHBondContact O-N 3.18Å; D302-S306 PolarHBondContact O-OG 3.05Å
303	K	40.7	Very low	50.1	Low	156 Å²	156	113.3 Å²	113.3	68%	0.678	61%	0.606	S	S	*	*	H	α-helix	trans	-71.7	-33.2	168.1	-73.9	-174.7	177.7	-178.3	0	111.6	S306 L307	K303-S306 WeakPolarHBondContact CA-OG 3.18Å; K303-S306 PolarHBondContact O-OG 3.34Å; K303-L307 WeakPolarHBondContact O-CB 3.24Å; K303-L307 WeakPolarHBondContact O-CD1 3.32Å; K303-L307 WeakPolarHBondContact O-CG 3.39Å; K303-L307 PolarHBondContact O-N 3.42Å
304	F	37.8	Very low	52.4	Low	153 Å²	153	108.4 Å²	108.4	67%	0.671	59%	0.586	S	S	*	*	H	α-helix	trans	-73.9	-33.8	177.8	-127	-90.4	0	0	0	112.5	L300 E301 S308	L300-F304 PolarHBondContact O-N 2.96Å; E301-F304 PolarHBondContact O-N 3.14Å; F304-S308 VanDerWaalsContact O-CB 3.29Å; F304-S308 WeakPolarHBondContact O-CB 3.14Å; F304-S308 PolarHBondContact O-N 3.32Å; F304-S308 PolarHBondContact O-OG 3.25Å
305	S	46.7	Very low	54.9	Low	55 Å²	55	105.8 Å²	105.8	39%	0.385	58%	0.578	S	S	.	*	H	α-helix	trans	-76.4	-31.6	178	53.2	0	0	0	0	113.3	E301 D302 S308 M309	E301-S305 WeakPolarHBondContact O-CB 3.48Å; E301-S305 PolarHBondContact O-N 3.49Å; E301-S305 PolarHBondContact O-OG 3.3Å; D302-S305 VanDerWaalsContact CA-OG 3.26Å; D302-S305 WeakPolarHBondContact CA-OG 3.45Å; D302-S305 PolarHBondContact O-OG 2.94Å; D302-S305 VanDerWaalsContact O-OG 3.09Å; S305-S308 WeakPolarHBondContact CA-OG 3.44Å; S305-S308 PolarHBondContact O-OG 3.48Å; S305-M309 WeakPolarHBondContact O-CB 3.33Å; S305-M309 PolarHBondContact O-N 2.84Å; S305-M309 VanDerWaalsContact O-N 3.07Å
306	S	52.4	Low	57.4	Low	46 Å²	46	101.6 Å²	101.6	32%	0.322	56%	0.562	S	S	.	*	H	α-helix	trans	-73.8	-39.1	172.3	43.7	0	0	0	0	112.7	D302 K303 M309 L310	D302-S306 PolarHBondContact O-N 3.18Å; D302-S306 PolarHBondContact O-OG 3.05Å; K303-S306 WeakPolarHBondContact CA-OG 3.18Å; K303-S306 PolarHBondContact O-OG 3.34Å; S306-M309 PolarHBondContact O-N 3.41Å; S306-L310 PolarHBondContact O-N 3.43Å; S306-L310 VanDerWaalsContact O-N 3.12Å
307	L	55.4	Low	59.8	Low	98 Å²	98	98.6 Å²	98.6	51%	0.513	55%	0.545	S	S	.	.	H	α-helix	trans	-64.8	-41	170.6	-77.6	166.6	0	0	0	112.2	K303 M309 L310 D311	K303-L307 WeakPolarHBondContact O-CB 3.24Å; K303-L307 WeakPolarHBondContact O-CD1 3.32Å; K303-L307 WeakPolarHBondContact O-CG 3.39Å; K303-L307 PolarHBondContact O-N 3.42Å; L307-M309 VanDerWaalsContact C-N 3.28Å; L307-M309 PolarHBondContact O-N 2.94Å; L307-L310 PolarHBondContact O-N 3.39Å; L307-D311 PolarHBondContact O-N 3.3Å
308	S	62.6	Low	62.5	Low	66 Å²	66	101.5 Å²	101.5	46%	0.462	53%	0.531	S	S	.	.	H	α-helix	trans	-66.3	-31.2	176.4	73.8	0	0	0	0	112.6	F304 S305 S312	F304-S308 VanDerWaalsContact O-CB 3.29Å; F304-S308 WeakPolarHBondContact O-CB 3.14Å; F304-S308 PolarHBondContact O-N 3.32Å; F304-S308 PolarHBondContact O-OG 3.25Å; S305-S308 WeakPolarHBondContact CA-OG 3.44Å; S305-S308 PolarHBondContact O-OG 3.48Å; S308-S312 VanDerWaalsContact O-CB 3.27Å; S308-S312 WeakPolarHBondContact O-CB 3.23Å; S308-S312 PolarHBondContact O-N 2.67Å
309	M	67.8	Low	65.1	Low	122 Å²	122	102.6 Å²	102.6	60%	0.601	54%	0.536	S	S	*	.	H	α-helix	trans	-66.6	-44.1	172.1	-169.9	179.8	-69.6	0	0	111.7	S305 S306 L307 S312 W313	S305-M309 WeakPolarHBondContact O-CB 3.33Å; S305-M309 PolarHBondContact O-N 2.84Å; S305-M309 VanDerWaalsContact O-N 3.07Å; S306-M309 PolarHBondContact O-N 3.41Å; L307-M309 VanDerWaalsContact C-N 3.28Å; L307-M309 PolarHBondContact O-N 2.94Å; M309-S312 PolarHBondContact O-N 2.7Å; M309-W313 WeakPolarHBondContact O-CB 3.23Å; M309-W313 PolarHBondContact O-N 2.95Å
310	L	73.6	Confident	67.7	Low	97 Å²	97	106.5 Å²	106.5	51%	0.508	55%	0.547	S	S	.	.	H	α-helix	trans	-62.5	-43.6	175.3	-75.6	168.6	0	0	0	112.1	S306 L307 W313 H314	S306-L310 PolarHBondContact O-N 3.43Å; S306-L310 VanDerWaalsContact O-N 3.12Å; L307-L310 PolarHBondContact O-N 3.39Å; L310-W313 PolarHBondContact O-N 3.29Å; L310-H314 WeakPolarHBondContact O-CB 3.39Å; L310-H314 VanDerWaalsContact O-CG 3.29Å; L310-H314 PolarHBondContact O-N 3.11Å
311	D	78.1	Confident	70.3	Confident	106 Å²	106	103.1 Å²	103.1	57%	0.567	53%	0.528	S	S	*	.	H	α-helix	trans	-65.4	-38.4	176.8	-76.4	-25.8	0	0	0	112.2	L307 H314 S315	L307-D311 PolarHBondContact O-N 3.3Å; D311-H314 PolarHBondContact O-N 3.01Å; D311-S315 WeakPolarHBondContact O-CB 3.47Å; D311-S315 PolarHBondContact O-N 2.99Å
312	S	79.4	Confident	72.9	Confident	64 Å²	64	100.3 Å²	100.3	45%	0.448	52%	0.519	S	S	.	.	H	α-helix	trans	-61.3	-46.4	172.7	-179.1	0	0	0	0	111.4	S308 M309 S315 L316	S308-S312 VanDerWaalsContact O-CB 3.27Å; S308-S312 WeakPolarHBondContact O-CB 3.23Å; S308-S312 PolarHBondContact O-N 2.67Å; M309-S312 PolarHBondContact O-N 2.7Å; S312-S315 WeakPolarHBondContact O-CB 3.35Å; S312-S315 PolarHBondContact O-N 3.1Å; S312-L316 WeakPolarHBondContact O-CG 3.38Å; S312-L316 PolarHBondContact O-N 3.25Å
313	W	79	Confident	75.5	Confident	138 Å²	138	97.3 Å²	97.3	52%	0.523	51%	0.513	S	S	.	.	H	α-helix	trans	-62.1	-45.5	175.6	-94.2	77.8	0	0	0	112.5	M309 L310 S315 L316 I317	M309-W313 WeakPolarHBondContact O-CB 3.23Å; M309-W313 PolarHBondContact O-N 2.95Å; L310-W313 PolarHBondContact O-N 3.29Å; W313-S315 VanDerWaalsContact C-N 3.28Å; W313-S315 PolarHBondContact O-N 2.94Å; W313-L316 PolarHBondContact O-N 3.15Å; W313-I317 HydrophobicContact CE3-CD1 4.15Å; W313-I317 WeakPolarHBondContact O-CG1 3.33Å; W313-I317 PolarHBondContact O-N 3.48Å
314	H	82.1	Confident	78	Confident	103 Å²	103	93.9 Å²	93.9	48%	0.477	50%	0.502	S	S	.	.	H	α-helix	trans	-58.5	-40.8	174.8	-73.3	160.1	0	0	0	112.2	L310 D311 R318	L310-H314 WeakPolarHBondContact O-CB 3.39Å; L310-H314 VanDerWaalsContact O-CG 3.29Å; L310-H314 PolarHBondContact O-N 3.11Å; D311-H314 PolarHBondContact O-N 3.01Å; H314-R318 WeakPolarHBondContact O-CB 3.23Å; H314-R318 VanDerWaalsContact O-CG 3.23Å; H314-R318 WeakPolarHBondContact O-CG 3.31Å; H314-R318 PolarHBondContact O-N 3.3Å
315	S	87.3	Confident	80.7	Confident	79 Å²	79	94.4 Å²	94.4	55%	0.552	50%	0.499	S	S	*	.	H	α-helix	trans	-65.2	-44.4	176.9	-170.4	0	0	0	0	111.9	D311 S312 W313 R318 A319	D311-S315 WeakPolarHBondContact O-CB 3.47Å; D311-S315 PolarHBondContact O-N 2.99Å; S312-S315 WeakPolarHBondContact O-CB 3.35Å; S312-S315 PolarHBondContact O-N 3.1Å; W313-S315 VanDerWaalsContact C-N 3.28Å; W313-S315 PolarHBondContact O-N 2.94Å; S315-R318 PolarHBondContact O-N 2.86Å; S315-A319 PolarHBondContact O-N 2.91Å
316	L	89.6	Confident	83	Confident	109 Å²	109	96.3 Å²	96.3	57%	0.571	50%	0.502	S	S	*	.	H	α-helix	trans	-61.1	-48.5	177	-73	169.9	0	0	0	111.9	S312 W313 R318 A319 E320	S312-L316 WeakPolarHBondContact O-CG 3.38Å; S312-L316 PolarHBondContact O-N 3.25Å; W313-L316 PolarHBondContact O-N 3.15Å; L316-R318 VanDerWaalsContact C-N 3.31Å; L316-R318 PolarHBondContact O-N 2.66Å; L316-A319 PolarHBondContact O-N 2.89Å; L316-E320 PolarHBondContact O-N 2.76Å
317	I	88.2	Confident	85	Confident	73 Å²	73	99.6 Å²	99.6	37%	0.374	51%	0.512	S	S	.	.	H	α-helix	trans	-62.1	-40.2	178.4	-68.1	169.3	0	0	0	110.9	W313 E320 I321	W313-I317 HydrophobicContact CE3-CD1 4.15Å; W313-I317 WeakPolarHBondContact O-CG1 3.33Å; W313-I317 PolarHBondContact O-N 3.48Å; I317-E320 PolarHBondContact O-N 3.36Å; I317-I321 HydrophobicContact CG2-CD1 3.78Å; I317-I321 HydrophobicContact CG2-CG1 4.35Å; I317-I321 WeakPolarHBondContact O-CB 3.4Å; I317-I321 VanDerWaalsContact O-CG1 3.25Å; I317-I321 WeakPolarHBondContact O-CG1 3.47Å; I317-I321 PolarHBondContact O-N 2.87Å
318	R	93	Very high	86.8	Confident	178 Å²	178	98 Å²	98	67%	0.672	51%	0.507	S	S	*	.	H	α-helix	trans	-63.2	-45.6	176.3	-77.3	175.1	-177.7	-168.7	3.4	111.9	H314 S315 L316 E320 I321 D322	H314-R318 WeakPolarHBondContact O-CB 3.23Å; H314-R318 VanDerWaalsContact O-CG 3.23Å; H314-R318 WeakPolarHBondContact O-CG 3.31Å; H314-R318 PolarHBondContact O-N 3.3Å; S315-R318 PolarHBondContact O-N 2.86Å; L316-R318 VanDerWaalsContact C-N 3.31Å; L316-R318 PolarHBondContact O-N 2.66Å; R318-E320 VanDerWaalsContact C-N 3.3Å; R318-E320 PolarHBondContact O-N 3.33Å; R318-I321 PolarHBondContact O-N 2.81Å; R318-D322 PolarHBondContact O-N 2.86Å
319	A	93.5	Very high	88.3	Confident	64 Å²	64	100.8 Å²	100.8	53%	0.529	51%	0.51	S	S	.	.	H	α-helix	trans	-61	-40.8	177	0	0	0	0	0	111.7	S315 L316 D322 G323	S315-A319 PolarHBondContact O-N 2.91Å; L316-A319 PolarHBondContact O-N 2.89Å; A319-D322 PolarHBondContact O-N 2.8Å; A319-G323 PolarHBondContact O-N 3.16Å
320	E	93.8	Very high	89.5	Confident	126 Å²	126	97.9 Å²	97.9	59%	0.589	50%	0.501	S	S	*	.	H	α-helix	trans	-63.6	-47.3	175	-174.7	178.5	-179.9	0	0	112	L316 I317 R318 D322 G323 L324	L316-E320 PolarHBondContact O-N 2.76Å; I317-E320 PolarHBondContact O-N 3.36Å; R318-E320 VanDerWaalsContact C-N 3.3Å; R318-E320 PolarHBondContact O-N 3.33Å; E320-D322 VanDerWaalsContact C-N 3.32Å; E320-D322 PolarHBondContact O-N 3.25Å; E320-G323 PolarHBondContact O-N 3.08Å; E320-L324 HydrophobicContact CG-CD1 3.99Å; E320-L324 HydrophobicContact CG-CG 4.46Å; E320-L324 WeakPolarHBondContact O-CB 3.42Å; E320-L324 WeakPolarHBondContact O-CG 3.4Å; E320-L324 PolarHBondContact O-N 2.8Å
321	I	93.3	Very high	90.3	Very high	71 Å²	71	98.6 Å²	98.6	36%	0.364	50%	0.5	S	S	.	.	H	α-helix	trans	-57.3	-45.4	176.9	-73.8	168.5	0	0	0	111.1	I317 R318 L324 R325	I317-I321 HydrophobicContact CG2-CD1 3.78Å; I317-I321 HydrophobicContact CG2-CG1 4.35Å; I317-I321 WeakPolarHBondContact O-CB 3.4Å; I317-I321 VanDerWaalsContact O-CG1 3.25Å; I317-I321 WeakPolarHBondContact O-CG1 3.47Å; I317-I321 PolarHBondContact O-N 2.87Å; R318-I321 PolarHBondContact O-N 2.81Å; I321-L324 PolarHBondContact O-N 3.35Å; I321-R325 HydrophobicContact CG2-CG 4.41Å; I321-R325 VanDerWaalsContact CG2-CZ 3.48Å; I321-R325 WeakPolarHBondContact O-CB 3.35Å; I321-R325 WeakPolarHBondContact O-CG 3.25Å; I321-R325 PolarHBondContact O-N 3.12Å
322	D	94.5	Very high	90.8	Very high	94 Å²	94	100.1 Å²	100.1	50%	0.503	50%	0.498	S	S	.	.	H	α-helix	trans	-68.7	-38.4	-178.8	-71.6	-22.6	0	0	0	111.7	R318 A319 E320 R325 E326	R318-D322 PolarHBondContact O-N 2.86Å; A319-D322 PolarHBondContact O-N 2.8Å; E320-D322 VanDerWaalsContact C-N 3.32Å; E320-D322 PolarHBondContact O-N 3.25Å; D322-R325 PolarHBondContact O-N 3.49Å; D322-R325 IonicContact OD1-NH1 3.42Å; D322-R325 PolarHBondContact OD1-NH1 3.18Å; D322-E326 PolarHBondContact O-N 2.87Å
323	G	96	Very high	91.3	Very high	45 Å²	45	99.4 Å²	99.4	46%	0.464	50%	0.496	S	S	.	.	H	α-helix	trans	-60.1	-50.9	172.2	0	0	0	0	0	112.6	A319 E320 R325 E326 E327	A319-G323 PolarHBondContact O-N 3.16Å; E320-G323 PolarHBondContact O-N 3.08Å; G323-R325 VanDerWaalsContact C-N 3.32Å; G323-R325 PolarHBondContact O-N 3.23Å; G323-E326 PolarHBondContact O-N 3.16Å; G323-E327 PolarHBondContact O-N 3.36Å; G323-E327 VanDerWaalsContact O-N 3.08Å
324	L	94.5	Very high	91.6	Very high	85 Å²	85	98 Å²	98	45%	0.445	50%	0.495	S	S	.	.	H	α-helix	trans	-63.2	-36.4	178.6	-72.1	172.3	0	0	0	112.3	E320 I321 E327 V328	E320-L324 HydrophobicContact CG-CD1 3.99Å; E320-L324 HydrophobicContact CG-CG 4.46Å; E320-L324 WeakPolarHBondContact O-CB 3.42Å; E320-L324 WeakPolarHBondContact O-CG 3.4Å; E320-L324 PolarHBondContact O-N 2.8Å; I321-L324 PolarHBondContact O-N 3.35Å; L324-E327 PolarHBondContact O-N 3.42Å; L324-V328 WeakPolarHBondContact O-CB 3.32Å; L324-V328 WeakPolarHBondContact O-CG2 3.39Å; L324-V328 PolarHBondContact O-N 3.13Å
325	R	94.3	Very high	91.7	Very high	163 Å²	163	96.7 Å²	96.7	62%	0.615	49%	0.49	S	S	*	.	H	α-helix	trans	-62.4	-44.8	177	-82.3	171.1	174.3	169.8	-1.7	112.2	I321 D322 G323 K329	I321-R325 HydrophobicContact CG2-CG 4.41Å; I321-R325 VanDerWaalsContact CG2-CZ 3.48Å; I321-R325 WeakPolarHBondContact O-CB 3.35Å; I321-R325 WeakPolarHBondContact O-CG 3.25Å; I321-R325 PolarHBondContact O-N 3.12Å; D322-R325 PolarHBondContact O-N 3.49Å; D322-R325 IonicContact OD1-NH1 3.42Å; D322-R325 PolarHBondContact OD1-NH1 3.18Å; G323-R325 VanDerWaalsContact C-N 3.32Å; G323-R325 PolarHBondContact O-N 3.23Å; R325-K329 VanDerWaalsContact O-CB 3.28Å; R325-K329 WeakPolarHBondContact O-CB 3.35Å; R325-K329 PolarHBondContact O-N 3.11Å
326	E	94.7	Very high	91.6	Very high	95 Å²	95	95.2 Å²	95.2	44%	0.444	48%	0.482	S	S	.	.	H	α-helix	trans	-69.3	-40.2	179.3	-163.7	60.7	-152.1	0	0	110.8	D322 G323 V328 K329 C330	D322-E326 PolarHBondContact O-N 2.87Å; G323-E326 PolarHBondContact O-N 3.16Å; E326-V328 PolarHBondContact O-N 3.14Å; E326-K329 WeakPolarHBondContact O-CB 3.01Å; E326-K329 PolarHBondContact O-N 3.5Å; E326-K329 IonicContact OE1-NZ 2.86Å; E326-K329 PolarHBondContact OE1-NZ 3.33Å; E326-K329 IonicContact OE2-NZ 3.07Å; E326-K329 PolarHBondContact OE2-NZ 3.27Å; E326-C330 PolarHBondContact O-N 2.88Å; E326-C330 PolarHBondContact O-SG 3.46Å
327	E	95.3	Very high	91.4	Very high	116 Å²	116	95.8 Å²	95.8	54%	0.542	48%	0.483	S	S	.	.	H	α-helix	trans	-58.7	-49.3	174.5	-173.8	178.5	177.8	0	0	111.9	G323 L324 K329 C330 K331	G323-E327 PolarHBondContact O-N 3.36Å; G323-E327 VanDerWaalsContact O-N 3.08Å; L324-E327 PolarHBondContact O-N 3.42Å; E327-K329 VanDerWaalsContact C-N 3.3Å; E327-K329 PolarHBondContact O-N 2.61Å; E327-C330 PolarHBondContact O-N 2.9Å; E327-K331 WeakPolarHBondContact O-CG 3.13Å; E327-K331 PolarHBondContact O-N 2.85Å
328	V	92.8	Very high	91.2	Very high	65 Å²	65	94 Å²	94	39%	0.394	48%	0.479	S	S	.	.	H	α-helix	trans	-61.2	-40.2	177.9	168.3	0	0	0	0	111.2	L324 E326 K331 R332	L324-V328 WeakPolarHBondContact O-CB 3.32Å; L324-V328 WeakPolarHBondContact O-CG2 3.39Å; L324-V328 PolarHBondContact O-N 3.13Å; E326-V328 PolarHBondContact O-N 3.14Å; V328-K331 PolarHBondContact O-N 2.78Å; V328-R332 HydrophobicContact CG1-CG 4.35Å; V328-R332 WeakPolarHBondContact O-CB 3.25Å; V328-R332 VanDerWaalsContact O-CG 3.26Å; V328-R332 WeakPolarHBondContact O-CG 3.42Å; V328-R332 PolarHBondContact O-N 3.26Å
329	K	93	Very high	90.6	Very high	123 Å²	123	88.6 Å²	88.6	54%	0.535	46%	0.464	S	S	.	.	H	α-helix	trans	-63.8	-45.2	177.6	178.3	-176	159.9	-143.7	0	111.7	R325 E326 E327 R332 A333	R325-K329 VanDerWaalsContact O-CB 3.28Å; R325-K329 WeakPolarHBondContact O-CB 3.35Å; R325-K329 PolarHBondContact O-N 3.11Å; E326-K329 WeakPolarHBondContact O-CB 3.01Å; E326-K329 PolarHBondContact O-N 3.5Å; E326-K329 IonicContact OE1-NZ 2.86Å; E326-K329 PolarHBondContact OE1-NZ 3.33Å; E326-K329 IonicContact OE2-NZ 3.07Å; E326-K329 PolarHBondContact OE2-NZ 3.27Å; E327-K329 VanDerWaalsContact C-N 3.3Å; E327-K329 PolarHBondContact O-N 2.61Å; K329-R332 PolarHBondContact O-N 3.21Å; K329-A333 PolarHBondContact O-N 3.19Å; K329-A333 VanDerWaalsContact O-N 3.1Å
330	C	93.4	Very high	89.9	Confident	61 Å²	61	93.4 Å²	93.4	41%	0.412	48%	0.475	S	S	.	.	H	α-helix	trans	-59.3	-49.2	173.6	-72.1	0	0	0	0	111.4	E326 E327 R332 A333 E334	E326-C330 PolarHBondContact O-N 2.88Å; E326-C330 PolarHBondContact O-SG 3.46Å; E327-C330 PolarHBondContact O-N 2.9Å; C330-R332 VanDerWaalsContact C-N 3.34Å; C330-R332 PolarHBondContact O-N 3.29Å; C330-A333 WeakPolarHBondContact O-CB 3.45Å; C330-A333 PolarHBondContact O-N 3.36Å; C330-A333 VanDerWaalsContact O-N 3.13Å; C330-E334 WeakPolarHBondContact O-CG 3.33Å; C330-E334 PolarHBondContact O-N 2.86Å
331	K	90.6	Very high	89.2	Confident	113 Å²	113	94.5 Å²	94.5	49%	0.491	48%	0.481	S	S	.	.	H	α-helix	trans	-62.2	-37.3	179.5	-70.2	-74.2	160.5	-150.2	0	113.2	E327 V328 E334 H335	E327-K331 WeakPolarHBondContact O-CG 3.13Å; E327-K331 PolarHBondContact O-N 2.85Å; V328-K331 PolarHBondContact O-N 2.78Å; K331-E334 WeakPolarHBondContact CD-OE2 3.47Å; K331-E334 IonicContact NZ-OE1 3.76Å; K331-E334 IonicContact NZ-OE2 3.71Å; K331-E334 PolarHBondContact NZ-OE2 3.45Å; K331-E334 PolarHBondContact O-N 3.27Å; K331-H335 WeakPolarHBondContact O-CB 3.45Å; K331-H335 PolarHBondContact O-N 3.47Å
332	R	89	Confident	88.2	Confident	137 Å²	137	100.2 Å²	100.2	52%	0.517	50%	0.503	S	S	.	.	H	α-helix	trans	-65	-39.8	173.9	-76.6	175.7	-177.8	176.8	5.1	112.2	V328 K329 C330 H335 A336 S448	V328-R332 HydrophobicContact CG1-CG 4.35Å; V328-R332 WeakPolarHBondContact O-CB 3.25Å; V328-R332 VanDerWaalsContact O-CG 3.26Å; V328-R332 WeakPolarHBondContact O-CG 3.42Å; V328-R332 PolarHBondContact O-N 3.26Å; K329-R332 PolarHBondContact O-N 3.21Å; C330-R332 VanDerWaalsContact C-N 3.34Å; C330-R332 PolarHBondContact O-N 3.29Å; R332-H335 PolarHBondContact O-N 2.84Å; R332-A336 WeakPolarHBondContact O-CB 3.4Å; R332-A336 PolarHBondContact O-N 2.83Å; R332-S448 PolarHBondContact NE-OG 2.86Å; R332-S448 VanDerWaalsContact NH2-CB 3.33Å
333	A	88.6	Confident	86.6	Confident	50 Å²	50	99.3 Å²	99.3	41%	0.413	51%	0.508	S	S	.	.	H	α-helix	trans	-65.4	-44.3	175.8	0	0	0	0	0	111.5	K329 C330 H335 A336 M337	K329-A333 PolarHBondContact O-N 3.19Å; K329-A333 VanDerWaalsContact O-N 3.1Å; C330-A333 WeakPolarHBondContact O-CB 3.45Å; C330-A333 PolarHBondContact O-N 3.36Å; C330-A333 VanDerWaalsContact O-N 3.13Å; A333-H335 PolarHBondContact O-N 3.36Å; A333-A336 PolarHBondContact O-N 3.12Å; A333-M337 WeakPolarHBondContact O-CG 3.49Å; A333-M337 PolarHBondContact O-N 3.08Å
334	E	87.1	Confident	85.2	Confident	107 Å²	107	100.4 Å²	100.4	50%	0.5	51%	0.513	S	S	.	.	H	α-helix	trans	-56.3	-48.5	173.1	-71.1	174.1	-173.9	0	0	111.4	C330 K331 A336 M337 A338	C330-E334 WeakPolarHBondContact O-CG 3.33Å; C330-E334 PolarHBondContact O-N 2.86Å; K331-E334 WeakPolarHBondContact CD-OE2 3.47Å; K331-E334 IonicContact NZ-OE1 3.76Å; K331-E334 IonicContact NZ-OE2 3.71Å; K331-E334 PolarHBondContact NZ-OE2 3.45Å; K331-E334 PolarHBondContact O-N 3.27Å; E334-A336 PolarHBondContact O-N 3.35Å; E334-M337 PolarHBondContact O-N 2.93Å; E334-A338 PolarHBondContact O-N 2.93Å
335	H	83.3	Confident	84.2	Confident	77 Å²	77	105.1 Å²	105.1	36%	0.356	54%	0.535	S	S	.	.	H	α-helix	trans	-62	-41.3	178.1	178.3	-100.6	0	0	0	112.7	K331 R332 A333 A338 N339	K331-H335 WeakPolarHBondContact O-CB 3.45Å; K331-H335 PolarHBondContact O-N 3.47Å; R332-H335 PolarHBondContact O-N 2.84Å; A333-H335 PolarHBondContact O-N 3.36Å; H335-A338 PolarHBondContact O-N 3.45Å; H335-N339 PolarHBondContact CE1-ND2 3.08Å; H335-N339 PolarHBondContact O-N 2.81Å
336	A	84.8	Confident	83.3	Confident	47 Å²	47	100.7 Å²	100.7	39%	0.388	53%	0.529	S	S	.	.	H	α-helix	trans	-63.4	-41.8	176.7	0	0	0	0	0	112.2	R332 A333 E334 Q340	R332-A336 WeakPolarHBondContact O-CB 3.4Å; R332-A336 PolarHBondContact O-N 2.83Å; A333-A336 PolarHBondContact O-N 3.12Å; E334-A336 PolarHBondContact O-N 3.35Å; A336-Q340 WeakPolarHBondContact O-CG 3.01Å; A336-Q340 PolarHBondContact O-N 3.49Å
337	M	85.6	Confident	82.5	Confident	121 Å²	121	107.2 Å²	107.2	60%	0.596	55%	0.55	S	S	*	.	H	α-helix	trans	-65	-43.7	175.9	-70.3	-175.6	179.8	0	0	111.9	A333 E334 N339 Q340 Q341	A333-M337 WeakPolarHBondContact O-CG 3.49Å; A333-M337 PolarHBondContact O-N 3.08Å; E334-M337 PolarHBondContact O-N 2.93Å; M337-N339 VanDerWaalsContact C-N 3.34Å; M337-N339 PolarHBondContact O-N 3.18Å; M337-Q340 PolarHBondContact O-N 2.79Å; M337-Q341 WeakPolarHBondContact O-CG 3.45Å; M337-Q341 PolarHBondContact O-N 3.02Å; M337-Q341 VanDerWaalsContact O-N 3.16Å
338	A	84.5	Confident	81.8	Confident	36 Å²	36	108.2 Å²	108.2	30%	0.298	56%	0.558	S	S	.	*	H	α-helix	trans	-61.4	-40.8	178.1	0	0	0	0	0	112.5	E334 H335 Q341 K342 A343	E334-A338 PolarHBondContact O-N 2.93Å; H335-A338 PolarHBondContact O-N 3.45Å; A338-Q341 PolarHBondContact O-N 2.52Å; A338-K342 PolarHBondContact O-N 3.21Å; A338-A343 PolarHBondContact O-N 3.03Å
339	N	80	Confident	81.3	Confident	65 Å²	65	107.6 Å²	107.6	35%	0.348	56%	0.555	S	S	.	*	H	α-helix	trans	-65.7	-38.1	176.5	-79.1	-10.2	0	0	0	112.5	H335 M337 Q341 K342 S346	H335-N339 PolarHBondContact CE1-ND2 3.08Å; H335-N339 PolarHBondContact O-N 2.81Å; M337-N339 VanDerWaalsContact C-N 3.34Å; M337-N339 PolarHBondContact O-N 3.18Å; N339-Q341 VanDerWaalsContact C-N 3.34Å; N339-Q341 PolarHBondContact O-N 3.46Å; N339-K342 PolarHBondContact O-N 3.23Å; N339-S346 PolarHBondContact OD1-OG 3.13Å
340	Q	79.4	Confident	80.9	Confident	164 Å²	164	109.3 Å²	109.3	77%	0.766	57%	0.569	S	S	*	*	H	α-helix	trans	-65.8	-36.5	176.8	-74.6	178.5	-0.8	0	0	112.6	A336 M337 K342	A336-Q340 WeakPolarHBondContact O-CG 3.01Å; A336-Q340 PolarHBondContact O-N 3.49Å; M337-Q340 PolarHBondContact O-N 2.79Å; Q340-K342 PolarHBondContact O-N 2.99Å
341	Q	79.4	Confident	80.7	Confident	150 Å²	150	107.2 Å²	107.2	70%	0.701	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-3.5	179.1	-68.3	179.1	-3.7	0	0	113.3	M337 A338 N339 A343	M337-Q341 WeakPolarHBondContact O-CG 3.45Å; M337-Q341 PolarHBondContact O-N 3.02Å; M337-Q341 VanDerWaalsContact O-N 3.16Å; A338-Q341 PolarHBondContact O-N 2.52Å; N339-Q341 VanDerWaalsContact C-N 3.34Å; N339-Q341 PolarHBondContact O-N 3.46Å; Q341-A343 HydrophobicContact CB-CB 4.08Å; Q341-A343 PolarHBondContact O-N 3.33Å
342	K	72	Confident	80.6	Confident	191 Å²	191	105.4 Å²	105.4	83%	0.83	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	48.1	28.3	-170	-63	-175.6	177.6	-178.6	0	112.6	A338 N339 Q340 A344	A338-K342 PolarHBondContact O-N 3.21Å; N339-K342 PolarHBondContact O-N 3.23Å; Q340-K342 PolarHBondContact O-N 2.99Å; K342-A344 VanDerWaalsContact C-N 3.28Å; K342-A344 PolarHBondContact O-N 3.37Å
343	A	61.2	Low	80.8	Confident	74 Å²	74	99.4 Å²	99.4	61%	0.612	53%	0.531	S	S	*	.			trans	-75	-20.9	-169.9	0	0	0	0	0	112.5	A338 Q341	A338-A343 PolarHBondContact O-N 3.03Å; Q341-A343 HydrophobicContact CB-CB 4.08Å; Q341-A343 PolarHBondContact O-N 3.33Å
344	A	66.1	Low	80.9	Confident	69 Å²	69	99 Å²	99	57%	0.57	52%	0.52	S	S	*	.	S	Bend	trans	-153	154.3	179.9	0	0	0	0	0	111.8	K342	K342-A344 VanDerWaalsContact C-N 3.28Å; K342-A344 PolarHBondContact O-N 3.37Å
345	M	73.4	Confident	81.2	Confident	183 Å²	183	96.9 Å²	96.9	90%	0.901	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-70.3	131.2	168	-71.3	-159	-68.2	0	0	110.2	R347	M345-R347 PolarHBondContact O-N 2.9Å
346	S	75.8	Confident	81.5	Confident	71 Å²	71	95.4 Å²	95.4	50%	0.497	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-66	128.4	174.4	-46.8	0	0	0	0	110.1	N339	N339-S346 PolarHBondContact OD1-OG 3.13Å
347	R	77.4	Confident	81.7	Confident	231 Å²	231	96.1 Å²	96.1	87%	0.872	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-88.2	131.7	172.9	-67.7	-175	177.5	-172.7	-1.4	109.4	M345	M345-R347 PolarHBondContact O-N 2.9Å
348	L	81.4	Confident	81.9	Confident	137 Å²	137	91.8 Å²	91.8	72%	0.717	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-82.2	128.4	177.3	-63.3	172.6	0	0	0	109.7	I350 V451	L348-I350 PolarHBondContact O-N 3.49Å; L348-V451 HydrophobicContact CB-CG1 4.41Å; L348-V451 HydrophobicContact CD2-CG1 3.92Å
349	P	82.5	Confident	82.2	Confident	53 Å²	53	91.5 Å²	91.5	34%	0.344	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-63.2	126.8	170.1	24.2	-33.5	0	0	0	110.4	P449 V451	P349-P449 HydrophobicContact CG-CG 4.09Å; P349-V451 HydrophobicContact CG-CB 4.41Å; P349-V451 HydrophobicContact CG-CG1 3.64Å; P349-V451 HydrophobicContact CG-CG2 3.85Å
350	I	83.7	Confident	82.5	Confident	159 Å²	159	88.7 Å²	88.7	82%	0.815	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-91.2	134.5	169	-56.7	172.7	0	0	0	106.9	L348	L348-I350 PolarHBondContact O-N 3.49Å
351	F	88.3	Confident	82.7	Confident	16 Å²	16	82.7 Å²	82.7	7%	0.07	43%	0.428	C	S	.	.			trans	-126.9	140.8	176.3	56.9	-86.5	0	0	0	109	I353 L372 V443 P445 V451 Q453	F351-I353 HydrophobicContact CD2-CD1 4.33Å; F351-I353 HydrophobicContact CD2-CG1 3.83Å; F351-I353 HydrophobicContact CE2-CD1 3.6Å; F351-I353 HydrophobicContact CE2-CG1 3.6Å; F351-I353 HydrophobicContact CZ-CD1 4.34Å; F351-L372 HydrophobicContact CD2-CD2 3.64Å; F351-L372 HydrophobicContact CD2-CG 4.1Å; F351-L372 HydrophobicContact CE2-CD2 3.51Å; F351-L372 HydrophobicContact CE2-CG 4.22Å; F351-V443 HydrophobicContact CE2-CG1 4.48Å; F351-P445 HydrophobicContact CD1-CG 3.89Å; F351-P445 HydrophobicContact CD2-CG 4.31Å; F351-P445 HydrophobicContact CE1-CG 3.7Å; F351-P445 HydrophobicContact CE2-CG 4.11Å; F351-P445 HydrophobicContact CG-CG 4.21Å; F351-P445 VanDerWaalsContact CZ-CD 3.47Å; F351-P445 HydrophobicContact CZ-CG 3.81Å; F351-V451 HydrophobicContact CD1-CG2 3.91Å; F351-V451 HydrophobicContact CE1-CG2 3.61Å; F351-Q453 HydrophobicContact CD1-CG 4.47Å; F351-Q453 VanDerWaalsContact CD1-NE2 3.31Å; F351-Q453 HydrophobicContact CE1-CB 4.44Å; F351-Q453 HydrophobicContact CE1-CG 3.65Å; F351-Q453 VanDerWaalsContact CE1-NE2 3.33Å; F351-Q453 HydrophobicContact CE2-CB 4.47Å; F351-Q453 HydrophobicContact CE2-CG 4.23Å; F351-Q453 HydrophobicContact CZ-CB 3.85Å; F351-Q453 HydrophobicContact CZ-CG 3.52Å; F351-Q453 PolarHBondContact O-NE2 3.32Å
352	P	90.2	Very high	82.7	Confident	75 Å²	75	82 Å²	82	49%	0.487	43%	0.425	S	S	.	.			trans	-72.5	142.6	176	30.6	-33.2	0	0	0	110.1	P373	P352-P373 HydrophobicContact CG-CG 3.85Å; P352-P373 WeakPolarHBondContact O-CD 3.28Å
353	I	92.4	Very high	83	Confident	12 Å²	12	76.6 Å²	76.6	6%	0.062	41%	0.405	C	S	.	.			trans	-123.2	117.8	169.5	-58	177.7	0	0	0	104.7	F351 E355 M370 L372 V443 Q453 R455	F351-I353 HydrophobicContact CD2-CD1 4.33Å; F351-I353 HydrophobicContact CD2-CG1 3.83Å; F351-I353 HydrophobicContact CE2-CD1 3.6Å; F351-I353 HydrophobicContact CE2-CG1 3.6Å; F351-I353 HydrophobicContact CZ-CD1 4.34Å; I353-E355 HydrophobicContact CG2-CB 4.33Å; I353-M370 HydrophobicContact CG2-CB 4.21Å; I353-M370 HydrophobicContact CG2-CE 3.9Å; I353-L372 HydrophobicContact CB-CD1 4.39Å; I353-L372 HydrophobicContact CG1-CD1 3.96Å; I353-L372 HydrophobicContact CG1-CG 4.13Å; I353-L372 HydrophobicContact CG2-CD1 4.03Å; I353-V443 HydrophobicContact CD1-CB 4.11Å; I353-V443 HydrophobicContact CD1-CG1 4.17Å; I353-V443 HydrophobicContact CD1-CG2 4.26Å; I353-Q453 HydrophobicContact CD1-CB 4.07Å; I353-R455 HydrophobicContact CD1-CG 4.3Å
354	E	91.4	Very high	84.2	Confident	42 Å²	42	73.4 Å²	73.4	20%	0.196	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	123.5	166.6	-178.2	65	-167.6	0	0	106.6	R14 Y275 R356 M370 E371	R14-E354 IonicContact NH2-OE2 3.14Å; R14-E354 PolarHBondContact NH2-OE2 2.9Å; R14-E354 VanDerWaalsContact NH2-OE2 3.07Å; Y275-E354 HydrophobicContact CD2-CB 4.09Å; Y275-E354 HydrophobicContact CD2-CG 4.4Å; Y275-E354 HydrophobicContact CE1-CB 4.25Å; Y275-E354 HydrophobicContact CE2-CB 3.43Å; Y275-E354 VanDerWaalsContact CE2-CB 3.43Å; Y275-E354 HydrophobicContact CE2-CG 4.1Å; Y275-E354 VanDerWaalsContact CZ-CB 3.49Å; Y275-E354 PolarHBondContact OH-N 2.85Å; E354-R356 IonicContact OE1-NE 2.79Å; E354-R356 IonicContact OE1-NH2 3.1Å; E354-M370 CarbonylContact O-C 3.6Å; E354-M370 WeakPolarHBondContact O-CA 3.43Å; E354-E371 PolarHBondContact N-O 2.81Å; E354-E371 PolarHBondContact O-N 3.19Å
355	E	91.8	Very high	85.2	Confident	62 Å²	62	70.3 Å²	70.3	29%	0.29	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	141	-173	65	-168.4	161.5	0	0	110.7	I353 S369 R455 Y457	I353-E355 HydrophobicContact CG2-CB 4.33Å; E355-S369 CarbonylContact C-O 3.56Å; E355-S369 WeakPolarHBondContact CA-O 3.35Å; E355-R455 IonicContact OE1-CZ 3.26Å; E355-R455 IonicContact OE1-NE 3.07Å; E355-R455 IonicContact OE1-NH1 2.7Å; E355-R455 PolarHBondContact OE1-NH1 3.37Å; E355-R455 WeakPolarHBondContact OE2-CD 3.49Å; E355-R455 WeakPolarHBondContact OE2-CG 3.36Å; E355-R455 IonicContact OE2-NE 3.51Å; E355-R455 IonicContact OE2-NH1 3.88Å; E355-Y457 PolarHBondContact OE2-OH 2.56Å
356	R	89.5	Confident	86.1	Confident	46 Å²	46	62.7 Å²	62.7	17%	0.174	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	124.2	177.8	-63.4	178.3	-168.2	167.4	-12.4	109.3	N198 D218 E354 L368 S369	N198-R356 PolarHBondContact ND2-NH1 3.04Å; N198-R356 PolarHBondContact OD1-NH1 3.24Å; N198-R356 PolarHBondContact OD1-NH2 3.37Å; N198-R356 VanDerWaalsContact OD1-NH2 3.12Å; D218-R356 IonicContact OD1-NH1 3.63Å; D218-R356 PolarHBondContact OD1-NH1 3.03Å; D218-R356 IonicContact OD2-NH1 3.61Å; E354-R356 IonicContact OE1-NE 2.79Å; E354-R356 IonicContact OE1-NH2 3.1Å; R356-L368 CarbonylContact O-C 3.57Å; R356-L368 VanDerWaalsContact O-CA 3.32Å; R356-L368 WeakPolarHBondContact O-CA 3.29Å; R356-S369 PolarHBondContact N-O 2.9Å; R356-S369 PolarHBondContact O-N 2.97Å
357	L	90.7	Very high	86.8	Confident	62 Å²	62	60.9 Å²	60.9	33%	0.325	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	115	171.5	179.9	69.4	0	0	0	107.8	H366 Q367 L368 Y457	L357-H366 HydrophobicContact CD1-CB 3.96Å; L357-Q367 WeakPolarHBondContact CA-O 3.26Å; L357-L368 HydrophobicContact CB-CD1 4.01Å; L357-L368 HydrophobicContact CD1-CB 3.9Å; L357-L368 HydrophobicContact CD1-CD1 4.23Å; L357-Y457 HydrophobicContact CB-CD1 4.26Å; L357-Y457 HydrophobicContact CD2-CD1 3.98Å; L357-Y457 HydrophobicContact CD2-CG 4Å
358	F	89.4	Confident	87.5	Confident	30 Å²	30	50 Å²	50	13%	0.132	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	157	175.9	67	-85.4	0	0	0	110.8	F168 V196 N360 H366 Q367	F168-F358 HydrophobicContact CB-CD2 4.42Å; F168-F358 HydrophobicContact CB-CE2 4.38Å; F168-F358 HydrophobicContact CD1-CB 4.21Å; F168-F358 AromaticContact CD1-CD1 3.78Å; F168-F358 HydrophobicContact CD1-CD1 3.78Å; F168-F358 HydrophobicContact CD1-CD2 4.29Å; F168-F358 HydrophobicContact CD1-CE1 4.16Å; F168-F358 AromaticContact CD1-CG 3.84Å; F168-F358 HydrophobicContact CD1-CG 3.84Å; F168-F358 HydrophobicContact CE1-CD1 4.31Å; V196-F358 HydrophobicContact CG2-CE1 4.14Å; V196-F358 HydrophobicContact CG2-CZ 4.24Å; F358-N360 HydrophobicContact CE2-CB 4.21Å; F358-H366 CarbonylContact O-C 3.5Å; F358-H366 WeakPolarHBondContact O-CA 3.45Å; F358-Q367 HydrophobicContact CD1-CB 4.46Å; F358-Q367 HydrophobicContact CE1-CB 3.98Å; F358-Q367 HydrophobicContact CE2-CB 4.28Å; F358-Q367 HydrophobicContact CZ-CB 3.89Å; F358-Q367 PolarHBondContact N-O 3.36Å; F358-Q367 VanDerWaalsContact N-O 3.13Å; F358-Q367 PolarHBondContact O-N 2.99Å
359	L	90.5	Very high	88	Confident	29 Å²	29	44 Å²	44	15%	0.152	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	117.6	172.5	-179.7	63.1	0	0	0	108.5	D361 L464 C519	L359-D361 PolarHBondContact O-N 3.46Å; L359-L464 HydrophobicContact CD1-CD2 4.15Å; L359-C519 HydrophobicContact CD2-CB 4.22Å; L359-C519 VanDerWaalsContact CD2-SG 3.59Å
360	N	86.5	Confident	88.4	Confident	6 Å²	6	41.5 Å²	41.5	3%	0.032	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	108.4	169.2	177.9	-10.8	0	0	0	108.5	F358 Q362 D363 T364 V365 Q367	F358-N360 HydrophobicContact CE2-CB 4.21Å; N360-Q362 VanDerWaalsContact C-N 3.27Å; N360-Q362 PolarHBondContact O-N 3.08Å; N360-Q362 WeakPolarHBondContact OD1-CB 3.11Å; N360-Q362 PolarHBondContact OD1-N 2.98Å; N360-D363 PolarHBondContact ND2-OD2 2.82Å; N360-D363 VanDerWaalsContact ND2-OD2 3.13Å; N360-D363 PolarHBondContact O-N 2.85Å; N360-D363 PolarHBondContact OD1-N 3.06Å; N360-T364 VanDerWaalsContact O-CA 3.28Å; N360-T364 WeakPolarHBondContact O-CA 3.33Å; N360-T364 PolarHBondContact O-N 2.83Å; N360-V365 HydrophobicContact CB-CG2 4.43Å; N360-V365 PolarHBondContact N-O 3.37Å; N360-V365 PolarHBondContact O-N 2.99Å; N360-Q367 HydrophobicContact CB-CG 4.12Å; N360-Q367 PolarHBondContact ND2-NE2 2.92Å
361	D	83.8	Confident	88.8	Confident	39 Å²	39	34.1 Å²	34.1	21%	0.209	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-35	-178.4	-76.8	10.3	0	0	0	113.2	H122 L359 T364 R466 C519	H122-D361 IonicContact CE1-OD2 3.4Å; H122-D361 PolarHBondContact CE1-OD2 3.07Å; H122-D361 VanDerWaalsContact CE1-OD2 3.23Å; H122-D361 IonicContact ND1-OD2 3.5Å; L359-D361 PolarHBondContact O-N 3.46Å; D361-T364 WeakPolarHBondContact O-CG2 3.5Å; D361-R466 IonicContact OD1-NE 3.95Å; D361-R466 WeakPolarHBondContact OD2-CD 3.33Å; D361-R466 IonicContact OD2-CZ 2.71Å; D361-R466 IonicContact OD2-NE 3.64Å; D361-R466 PolarHBondContact OD2-NE 2.87Å; D361-R466 IonicContact OD2-NH2 2.69Å; D361-C519 HydrophobicContact CB-CB 4.48Å; D361-C519 VanDerWaalsContact CG-SG 3.56Å; D361-C519 PolarHBondContact OD1-SG 2.71Å
362	Q	78.8	Confident	88.9	Confident	136 Å²	136	33.4 Å²	33.4	64%	0.636	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-45.5	-175.9	-62.2	-176	0	0	0	111.6	N360	N360-Q362 VanDerWaalsContact C-N 3.27Å; N360-Q362 PolarHBondContact O-N 3.08Å; N360-Q362 WeakPolarHBondContact OD1-CB 3.11Å; N360-Q362 PolarHBondContact OD1-N 2.98Å
363	D	78.1	Confident	88.8	Confident	76 Å²	76	32.4 Å²	32.4	41%	0.406	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-13.8	-177.9	-69.5	-37	0	0	0	112.5	N360 V365	N360-D363 PolarHBondContact ND2-OD2 2.82Å; N360-D363 VanDerWaalsContact ND2-OD2 3.13Å; N360-D363 PolarHBondContact O-N 2.85Å; N360-D363 PolarHBondContact OD1-N 3.06Å; D363-V365 VanDerWaalsContact C-N 3.3Å; D363-V365 HydrophobicContact CB-CG1 4.49Å; D363-V365 HydrophobicContact CB-CG2 3.63Å; D363-V365 WeakPolarHBondContact O-CG1 3.47Å; D363-V365 PolarHBondContact O-N 3.47Å
364	T	85.8	Confident	88.6	Confident	8 Å²	8	34.3 Å²	34.3	5%	0.049	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	40.4	-177.7	68.4	0	0	0	0	113.1	N360 D361 C519 F520 R633	N360-T364 VanDerWaalsContact O-CA 3.28Å; N360-T364 WeakPolarHBondContact O-CA 3.33Å; N360-T364 PolarHBondContact O-N 2.83Å; D361-T364 WeakPolarHBondContact O-CG2 3.5Å; T364-C519 HydrophobicContact CG2-CB 4.37Å; T364-C519 WeakPolarHBondContact CG2-O 3.21Å; T364-F520 HydrophobicContact CG2-CB 4.31Å; T364-F520 HydrophobicContact CG2-CD2 4.02Å; T364-R633 PolarHBondContact O-NH1 3.21Å; T364-R633 VanDerWaalsContact O-NH1 3.07Å; T364-R633 PolarHBondContact OG1-NH1 3.47Å; T364-R633 VanDerWaalsContact OG1-NH1 3.13Å
365	V	88.6	Confident	88.5	Confident	4 Å²	4	33.6 Å²	33.6	2%	0.024	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	146.1	-176.8	-62.5	0	0	0	0	109.8	N360 D363 Q367 L390 R430	N360-V365 HydrophobicContact CB-CG2 4.43Å; N360-V365 PolarHBondContact N-O 3.37Å; N360-V365 PolarHBondContact O-N 2.99Å; D363-V365 VanDerWaalsContact C-N 3.3Å; D363-V365 HydrophobicContact CB-CG1 4.49Å; D363-V365 HydrophobicContact CB-CG2 3.63Å; D363-V365 WeakPolarHBondContact O-CG1 3.47Å; D363-V365 PolarHBondContact O-N 3.47Å; V365-Q367 HydrophobicContact CG2-CG 4.18Å; V365-L390 HydrophobicContact CB-CD1 4.39Å; V365-L390 HydrophobicContact CG1-CD1 3.48Å; V365-L390 VanDerWaalsContact CG1-CD1 3.48Å; V365-R430 HydrophobicContact CG1-CB 4.48Å
366	H	91.8	Very high	88.5	Confident	23 Å²	23	30.6 Å²	30.6	11%	0.106	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	123	170.3	-66.6	74.8	0	0	0	108.4	L357 F358 S428 V429 T431 S463	L357-H366 HydrophobicContact CD1-CB 3.96Å; F358-H366 CarbonylContact O-C 3.5Å; F358-H366 WeakPolarHBondContact O-CA 3.45Å; H366-S428 CarbonylContact O-C 3.58Å; H366-S428 WeakPolarHBondContact O-CA 3.42Å; H366-V429 HydrophobicContact CB-CB 4.41Å; H366-V429 PolarHBondContact N-O 3.28Å; H366-V429 PolarHBondContact O-N 2.81Å; H366-T431 PolarHBondContact CE1-OG1 2.95Å; H366-S463 PolarHBondContact CE1-O 2.93Å; H366-S463 PolarHBondContact NE2-O 3.22Å; H366-S463 VanDerWaalsContact NE2-O 3.16Å
367	Q	90.7	Very high	88.7	Confident	33 Å²	33	30.3 Å²	30.3	15%	0.154	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	117.3	175	-68.3	-175.6	-28.8	0	0	108.2	L357 F358 N360 V365	L357-Q367 WeakPolarHBondContact CA-O 3.26Å; F358-Q367 HydrophobicContact CD1-CB 4.46Å; F358-Q367 HydrophobicContact CE1-CB 3.98Å; F358-Q367 HydrophobicContact CE2-CB 4.28Å; F358-Q367 HydrophobicContact CZ-CB 3.89Å; F358-Q367 PolarHBondContact N-O 3.36Å; F358-Q367 VanDerWaalsContact N-O 3.13Å; F358-Q367 PolarHBondContact O-N 2.99Å; N360-Q367 HydrophobicContact CB-CG 4.12Å; N360-Q367 PolarHBondContact ND2-NE2 2.92Å; V365-Q367 HydrophobicContact CG2-CG 4.18Å
368	L	92.3	Very high	88.9	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119	171.9	179.3	67.3	0	0	0	108.6	R356 L357 E426 M427 L441 Y457	R356-L368 CarbonylContact O-C 3.57Å; R356-L368 VanDerWaalsContact O-CA 3.32Å; R356-L368 WeakPolarHBondContact O-CA 3.29Å; L357-L368 HydrophobicContact CB-CD1 4.01Å; L357-L368 HydrophobicContact CD1-CB 3.9Å; L357-L368 HydrophobicContact CD1-CD1 4.23Å; L368-E426 WeakPolarHBondContact O-CA 3.08Å; L368-M427 HydrophobicContact CB-CG 3.68Å; L368-M427 HydrophobicContact CB-SD 4.4Å; L368-M427 HydrophobicContact CD2-CG 3.98Å; L368-M427 HydrophobicContact CD2-SD 3.67Å; L368-M427 HydrophobicContact CG-CG 4.26Å; L368-M427 PolarHBondContact N-O 3.26Å; L368-M427 PolarHBondContact O-N 3.12Å; L368-L441 HydrophobicContact CD2-CD1 3.98Å; L368-L441 HydrophobicContact CD2-CD2 3.47Å; L368-L441 VanDerWaalsContact CD2-CD2 3.47Å; L368-L441 HydrophobicContact CD2-CG 4.39Å; L368-Y457 HydrophobicContact CD1-CD1 4.47Å; L368-Y457 HydrophobicContact CD1-CD2 4.46Å; L368-Y457 HydrophobicContact CD1-CE1 3.88Å; L368-Y457 HydrophobicContact CD1-CE2 3.85Å; L368-Y457 HydrophobicContact CD2-CD2 4.26Å; L368-Y457 HydrophobicContact CD2-CE2 3.74Å; L368-Y457 HydrophobicContact CG-CE2 4.5Å
369	S	90.6	Very high	89.2	Confident	12 Å²	12	30.2 Å²	30.2	8%	0.084	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.9	170.9	-179.6	0	0	0	0	109.1	E355 R356 R424	E355-S369 CarbonylContact C-O 3.56Å; E355-S369 WeakPolarHBondContact CA-O 3.35Å; R356-S369 PolarHBondContact N-O 2.9Å; R356-S369 PolarHBondContact O-N 2.97Å; S369-R424 VanDerWaalsContact OG-CZ 3.3Å; S369-R424 PolarHBondContact OG-NH2 3.47Å; S369-R424 VanDerWaalsContact OG-NH2 3.17Å
370	M	91.8	Very high	89.4	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	136.8	174	62.5	177.7	-56.1	0	0	111.5	I353 E354 L372 R424 F425 L441 V443	I353-M370 HydrophobicContact CG2-CB 4.21Å; I353-M370 HydrophobicContact CG2-CE 3.9Å; E354-M370 CarbonylContact O-C 3.6Å; E354-M370 WeakPolarHBondContact O-CA 3.43Å; M370-L372 HydrophobicContact CE-CD1 3.92Å; M370-R424 CarbonylContact O-C 3.56Å; M370-R424 WeakPolarHBondContact O-CA 3.18Å; M370-F425 HydrophobicContact CG-CB 3.7Å; M370-F425 HydrophobicContact CG-CD1 3.83Å; M370-F425 HydrophobicContact CG-CG 4.25Å; M370-F425 WeakPolarHBondContact CG-O 3.47Å; M370-F425 PolarHBondContact N-O 3.46Å; M370-F425 PolarHBondContact O-N 3.21Å; M370-F425 HydrophobicContact SD-CB 4.12Å; M370-F425 HydrophobicContact SD-CD1 3.62Å; M370-F425 HydrophobicContact SD-CE1 4.48Å; M370-F425 HydrophobicContact SD-CG 4.23Å; M370-L441 HydrophobicContact SD-CD2 3.99Å; M370-V443 HydrophobicContact CE-CB 3.97Å; M370-V443 HydrophobicContact CE-CG1 3.5Å; M370-V443 HydrophobicContact CE-CG2 3.25Å; M370-V443 HydrophobicContact SD-CG2 4.15Å
371	E	91.4	Very high	89.8	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.019	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.4	-178.1	-160.7	171.7	156.9	0	0	112.1	G252 N253 Y275 E354 T423 R424	G252-E371 VanDerWaalsContact CA-OE1 3.22Å; G252-E371 WeakPolarHBondContact CA-OE1 3.49Å; N253-E371 WeakPolarHBondContact CB-OE2 3.49Å; N253-E371 PolarHBondContact N-OE1 2.85Å; N253-E371 PolarHBondContact N-OE2 3.08Å; Y275-E371 HydrophobicContact CD1-CB 3.91Å; Y275-E371 HydrophobicContact CD1-CG 3.53Å; Y275-E371 HydrophobicContact CE1-CB 4.04Å; Y275-E371 HydrophobicContact CE1-CG 4Å; Y275-E371 VanDerWaalsContact CE1-O 3.27Å; Y275-E371 WeakPolarHBondContact CE1-O 3.47Å; Y275-E371 HydrophobicContact CG-CG 4.34Å; Y275-E371 PolarHBondContact OH-O 3.36Å; E354-E371 PolarHBondContact N-O 2.81Å; E354-E371 PolarHBondContact O-N 3.19Å; E371-T423 WeakPolarHBondContact CA-O 3.3Å; E371-R424 HydrophobicContact CG-CB 4.09Å; E371-R424 HydrophobicContact CG-CG 4.5Å; E371-R424 IonicContact OE2-NH1 2.67Å
372	L	91.6	Very high	90.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.			trans	-115.9	146.8	177	-80.1	70.7	0	0	0	109.6	F351 I353 M370 V374 I376 T423 V443 P445	F351-L372 HydrophobicContact CD2-CD2 3.64Å; F351-L372 HydrophobicContact CD2-CG 4.1Å; F351-L372 HydrophobicContact CE2-CD2 3.51Å; F351-L372 HydrophobicContact CE2-CG 4.22Å; I353-L372 HydrophobicContact CB-CD1 4.39Å; I353-L372 HydrophobicContact CG1-CD1 3.96Å; I353-L372 HydrophobicContact CG1-CG 4.13Å; I353-L372 HydrophobicContact CG2-CD1 4.03Å; M370-L372 HydrophobicContact CE-CD1 3.92Å; L372-V374 HydrophobicContact CB-CG2 4.45Å; L372-V374 WeakPolarHBondContact CB-O 3.33Å; L372-V374 HydrophobicContact CD2-CG2 4.45Å; L372-V374 PolarHBondContact O-N 2.9Å; L372-V374 VanDerWaalsContact O-N 3.14Å; L372-I376 HydrophobicContact CB-CG1 4.48Å; L372-I376 HydrophobicContact CD1-CD1 4.17Å; L372-I376 HydrophobicContact CD1-CG1 4.16Å; L372-I376 HydrophobicContact CD2-CG1 4.2Å; L372-T423 PolarHBondContact N-O 3.19Å; L372-T423 WeakPolarHBondContact O-CB 3.39Å; L372-V443 HydrophobicContact CD1-CG1 4.07Å; L372-V443 HydrophobicContact CD2-CG1 4.04Å; L372-P445 HydrophobicContact CD2-CB 3.89Å; L372-P445 HydrophobicContact CD2-CG 4.46Å
373	P	87.6	Confident	91.1	Very high	54 Å²	54	25.3 Å²	25.3	35%	0.351	13%	0.13	S	C	.	.	S	Bend	trans	-67.6	-12.8	173.3	30.1	-36.9	0	0	0	112.7	P352	P352-P373 HydrophobicContact CG-CG 3.85Å; P352-P373 WeakPolarHBondContact O-CD 3.28Å
374	V	87.9	Confident	91.8	Very high	53 Å²	53	25.2 Å²	25.2	32%	0.321	13%	0.127	S	C	.	.	S	Bend	trans	-122.8	152.2	179.5	-67	0	0	0	0	109.8	L372 I376 P445 T447	L372-V374 HydrophobicContact CB-CG2 4.45Å; L372-V374 WeakPolarHBondContact CB-O 3.33Å; L372-V374 HydrophobicContact CD2-CG2 4.45Å; L372-V374 PolarHBondContact O-N 2.9Å; L372-V374 VanDerWaalsContact O-N 3.14Å; V374-I376 PolarHBondContact O-N 2.67Å; V374-P445 HydrophobicContact CG2-CB 3.53Å; V374-P445 HydrophobicContact CG2-CG 4.44Å; V374-T447 HydrophobicContact CG2-CG2 4.16Å
375	S	89.9	Confident	92.1	Very high	26 Å²	26	25 Å²	25	18%	0.182	13%	0.126	C	C	.	.			trans	-62.4	137	-179	57.4	0	0	0	0	112.3	M422 R446	S375-M422 CarbonylContact C-O 3.55Å; S375-M422 VanDerWaalsContact CA-O 3.23Å; S375-M422 WeakPolarHBondContact CA-O 3.3Å; S375-R446 PolarHBondContact O-N 3.22Å; S375-R446 WeakPolarHBondContact OG-CB 3.09Å; S375-R446 WeakPolarHBondContact OG-CD 3.43Å
376	I	92	Very high	92	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	137.1	174.9	-53.4	169.3	0	0	0	108.9	L372 V374 V379 C418 M422 F425 R446	L372-I376 HydrophobicContact CB-CG1 4.48Å; L372-I376 HydrophobicContact CD1-CD1 4.17Å; L372-I376 HydrophobicContact CD1-CG1 4.16Å; L372-I376 HydrophobicContact CD2-CG1 4.2Å; V374-I376 PolarHBondContact O-N 2.67Å; I376-V379 HydrophobicContact CG2-CG2 3.8Å; I376-C418 HydrophobicContact CB-CB 4.15Å; I376-C418 HydrophobicContact CG2-CB 4.22Å; I376-C418 WeakPolarHBondContact O-CB 3.36Å; I376-M422 PolarHBondContact N-O 2.84Å; I376-F425 HydrophobicContact CD1-CB 3.67Å; I376-R446 PolarHBondContact O-NE 2.76Å
377	D	92.7	Very high	92	Very high	40 Å²	40	26.3 Å²	26.3	21%	0.214	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-55.7	172.3	-166.6	14.5	0	0	0	110.3	C418 C444 R446	D377-C418 PolarHBondContact O-N 2.79Å; D377-C444 WeakPolarHBondContact CB-O 3.41Å; D377-C444 PolarHBondContact N-O 3.31Å; D377-R446 HydrophobicContact CB-CG 3.64Å; D377-R446 IonicContact OD1-CZ 3.86Å; D377-R446 IonicContact OD1-NE 2.7Å; D377-R446 IonicContact OD1-NH1 2.83Å; D377-R446 PolarHBondContact OD1-NH1 2.81Å; D377-R446 IonicContact OD1-NH2 3.71Å; D377-R446 PolarHBondContact OD1-NH2 2.76Å
378	W	94.6	Very high	91.9	Very high	88 Å²	88	28.6 Å²	28.6	33%	0.333	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	157.4	178.3	54	-96.2	0	0	0	111	L380 Y416 C444 C452	W378-L380 HydrophobicContact CE3-CB 4.13Å; W378-L380 HydrophobicContact CZ3-CB 3.85Å; W378-Y416 CarbonylContact C-O 3.46Å; W378-Y416 WeakPolarHBondContact CA-O 3.24Å; W378-Y416 WeakPolarHBondContact CB-O 3.41Å; W378-C444 HydrophobicContact CD2-CB 3.6Å; W378-C444 HydrophobicContact CE3-CB 3.98Å; W378-C444 HydrophobicContact CG-CB 4.19Å; W378-C444 HydrophobicContact CH2-CB 3.78Å; W378-C444 HydrophobicContact CZ2-CB 3.38Å; W378-C444 HydrophobicContact CZ3-CB 4.06Å; W378-C444 PolarHBondContact N-O 2.79Å; W378-C444 PolarHBondContact O-N 3.42Å; W378-C452 HydrophobicContact CH2-CB 4.46Å
379	V	95.3	Very high	91.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.6	171.1	-177.8	0	0	0	0	107.6	I376 Y416 F425 L441 Y442	I376-V379 HydrophobicContact CG2-CG2 3.8Å; V379-Y416 PolarHBondContact N-O 3.25Å; V379-Y416 PolarHBondContact O-N 3.03Å; V379-F425 HydrophobicContact CG1-CE1 4.41Å; V379-F425 HydrophobicContact CG2-CD1 4.43Å; V379-F425 HydrophobicContact CG2-CD2 4.26Å; V379-F425 HydrophobicContact CG2-CG 4.22Å; V379-L441 HydrophobicContact CG1-CB 4.21Å; V379-L441 HydrophobicContact CG1-CD2 3.9Å; V379-L441 HydrophobicContact CG1-CG 4.08Å; V379-Y442 CarbonylContact C-O 3.51Å; V379-Y442 WeakPolarHBondContact CA-O 3.42Å
380	L	96.2	Very high	91.5	Very high	46 Å²	46	32.4 Å²	32.4	24%	0.241	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121	171.2	166.6	81.4	0	0	0	108	W378 I402 I413 T415 L441 Y442	W378-L380 HydrophobicContact CE3-CB 4.13Å; W378-L380 HydrophobicContact CZ3-CB 3.85Å; L380-I402 HydrophobicContact CD1-CD1 4.12Å; L380-I413 HydrophobicContact CD1-CG2 3.97Å; L380-T415 HydrophobicContact CB-CG2 4.4Å; L380-T415 HydrophobicContact CD1-CG2 3.51Å; L380-L441 WeakPolarHBondContact O-CA 3.47Å; L380-Y442 HydrophobicContact CD2-CD2 3.94Å; L380-Y442 HydrophobicContact CD2-CG 4.24Å; L380-Y442 HydrophobicContact CG-CD2 4.29Å; L380-Y442 PolarHBondContact N-O 3.19Å; L380-Y442 PolarHBondContact O-N 2.84Å
381	L	95.2	Very high	90.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131	177.4	-177	72.1	0	0	0	109.4	L389 L412 I413 A414 Y416 M427 L439 E440 L441	L381-L389 HydrophobicContact CD2-CD1 3.54Å; L381-L389 HydrophobicContact CD2-CD2 3.97Å; L381-L389 HydrophobicContact CD2-CG 4.35Å; L381-L412 HydrophobicContact CD2-CD2 4.09Å; L381-I413 CarbonylContact O-C 3.57Å; L381-I413 WeakPolarHBondContact O-CA 3.31Å; L381-A414 PolarHBondContact N-O 3.47Å; L381-A414 PolarHBondContact O-N 2.98Å; L381-Y416 HydrophobicContact CD2-CE2 4.43Å; L381-M427 HydrophobicContact CD1-CE 3.98Å; L381-M427 HydrophobicContact CD1-SD 4.28Å; L381-M427 HydrophobicContact CD2-CE 3.94Å; L381-L439 HydrophobicContact CD1-CD1 3.52Å; L381-L439 HydrophobicContact CD1-CG 4.09Å; L381-L439 HydrophobicContact CG-CD1 4.28Å; L381-E440 CarbonylContact C-O 3.54Å; L381-E440 WeakPolarHBondContact CA-O 3.38Å; L381-L441 HydrophobicContact CD1-CD1 3.44Å; L381-L441 VanDerWaalsContact CD1-CD1 3.44Å; L381-L441 HydrophobicContact CD1-CG 3.89Å
382	R	95.1	Very high	90.2	Very high	62 Å²	62	41.7 Å²	41.7	23%	0.234	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.9	169.9	174.6	177.7	174.4	-120.5	-14.4	108.3	D410 L412 I413 E440	R382-D410 IonicContact CZ-OD1 2.79Å; R382-D410 VanDerWaalsContact CZ-OD1 3.27Å; R382-D410 IonicContact CZ-OD2 3.13Å; R382-D410 IonicContact NE-OD1 3.69Å; R382-D410 PolarHBondContact NE-OD1 3.01Å; R382-D410 IonicContact NE-OD2 2.83Å; R382-D410 PolarHBondContact NE-OD2 3.26Å; R382-D410 IonicContact NH2-OD1 3.79Å; R382-D410 PolarHBondContact NH2-OD1 3.41Å; R382-D410 IonicContact NH2-OD2 2.66Å; R382-L412 CarbonylContact C-O 3.58Å; R382-L412 WeakPolarHBondContact CA-O 3.21Å; R382-I413 HydrophobicContact CG-CG1 4.49Å; R382-E440 HydrophobicContact CB-CB 4.18Å; R382-E440 WeakPolarHBondContact CD-OE2 3.16Å; R382-E440 IonicContact CZ-OE2 3.98Å; R382-E440 PolarHBondContact N-O 2.79Å; R382-E440 IonicContact NE-OE2 3.95Å; R382-E440 IonicContact NH1-OE1 3.83Å; R382-E440 IonicContact NH1-OE2 3.3Å; R382-E440 PolarHBondContact NH1-OE2 2.85Å; R382-E440 PolarHBondContact O-N 2.83Å
383	S	94.4	Very high	89.3	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	128.6	178.2	-173.1	0	0	0	0	110.1	V385 A411 L412	S383-V385 WeakPolarHBondContact CB-O 3.33Å; S383-V385 PolarHBondContact OG-N 3.12Å; S383-V385 PolarHBondContact OG-O 3.01Å; S383-A411 PolarHBondContact O-N 2.52Å; S383-L412 PolarHBondContact N-O 2.88Å; S383-L412 PolarHBondContact O-N 2.59Å
384	E	92.9	Very high	88.5	Confident	73 Å²	73	54.4 Å²	54.4	34%	0.341	27%	0.273	S	S	.	.	S	Bend	trans	-74.6	-19.4	169.9	-63.7	176.4	161.2	0	0	111.5	N438	E384-N438 PolarHBondContact N-O 3.42Å; E384-N438 VanDerWaalsContact N-O 3.08Å; E384-N438 PolarHBondContact OE2-N 2.89Å; E384-N438 PolarHBondContact OE2-ND2 3.13Å
385	V	91	Very high	88	Confident	5 Å²	5	53.3 Å²	53.3	3%	0.03	27%	0.265	C	S	.	.	S	Bend	trans	-108.3	140.3	-175.7	-178.6	0	0	0	0	110.4	S383 I387 K435 Y436 G437 I459	S383-V385 WeakPolarHBondContact CB-O 3.33Å; S383-V385 PolarHBondContact OG-N 3.12Å; S383-V385 PolarHBondContact OG-O 3.01Å; V385-I387 HydrophobicContact CB-CG2 4.41Å; V385-I387 HydrophobicContact CG1-CG2 4.31Å; V385-I387 PolarHBondContact O-N 2.75Å; V385-K435 HydrophobicContact CG1-CB 3.63Å; V385-Y436 VanDerWaalsContact CG2-O 3.31Å; V385-Y436 WeakPolarHBondContact CG2-O 3.28Å; V385-G437 VanDerWaalsContact CG2-N 3.34Å; V385-I459 HydrophobicContact CB-CD1 4.27Å
386	A	88	Confident	87.7	Confident	38 Å²	38	54.6 Å²	54.6	31%	0.314	28%	0.275	S	S	.	.			trans	-63.7	116.7	169.3	0	0	0	0	0	109.4	A411 K435	A386-A411 HydrophobicContact CB-CB 4.39Å; A386-K435 HydrophobicContact CB-CD 4.31Å
387	I	90.7	Very high	87.4	Confident	15 Å²	15	55.4 Å²	55.4	8%	0.077	28%	0.281	C	S	.	.			trans	-131.6	149.6	-177.7	57.7	172.9	0	0	0	109.9	V385 L389 L412 V429 R430 L439 I459	V385-I387 HydrophobicContact CB-CG2 4.41Å; V385-I387 HydrophobicContact CG1-CG2 4.31Å; V385-I387 PolarHBondContact O-N 2.75Å; I387-L389 HydrophobicContact CD1-CD2 3.9Å; I387-L389 HydrophobicContact CG1-CD2 4.48Å; I387-L412 HydrophobicContact CD1-CD2 4.11Å; I387-L412 HydrophobicContact CG1-CD2 3.85Å; I387-V429 HydrophobicContact CB-CG1 3.78Å; I387-V429 HydrophobicContact CD1-CG1 3.81Å; I387-V429 HydrophobicContact CG1-CG1 4.34Å; I387-V429 HydrophobicContact CG2-CG1 3.88Å; I387-R430 WeakPolarHBondContact CA-O 3.46Å; I387-L439 HydrophobicContact CD1-CD1 3.57Å; I387-I459 HydrophobicContact CG2-CD1 3.71Å
388	D	88.6	Confident	87.3	Confident	82 Å²	82	58 Å²	58	44%	0.439	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129.9	168.6	-49	-42.1	0	0	0	109.5	R430	D388-R430 HydrophobicContact CB-CB 4.07Å; D388-R430 PolarHBondContact N-O 3.49Å; D388-R430 PolarHBondContact O-N 3.26Å; D388-R430 IonicContact OD2-NH1 2.7Å
389	L	89.4	Confident	87.1	Confident	40 Å²	40	57.7 Å²	57.7	21%	0.209	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.5	175.4	-59.7	176.7	0	0	0	108.9	L381 I387 F399 L412 Y416 M427 V429	L381-L389 HydrophobicContact CD2-CD1 3.54Å; L381-L389 HydrophobicContact CD2-CD2 3.97Å; L381-L389 HydrophobicContact CD2-CG 4.35Å; I387-L389 HydrophobicContact CD1-CD2 3.9Å; I387-L389 HydrophobicContact CG1-CD2 4.48Å; L389-F399 HydrophobicContact CD1-CD2 4.47Å; L389-F399 HydrophobicContact CD1-CE2 3.48Å; L389-F399 VanDerWaalsContact CD1-CE2 3.48Å; L389-F399 HydrophobicContact CD1-CZ 3.79Å; L389-L412 HydrophobicContact CD1-CD2 3.72Å; L389-L412 HydrophobicContact CG-CD2 4.1Å; L389-Y416 HydrophobicContact CD1-CE2 4.47Å; L389-M427 HydrophobicContact CD2-CE 4.02Å; L389-V429 HydrophobicContact CD2-CG2 3.99Å
390	L	84.8	Confident	87	Confident	54 Å²	54	60.2 Å²	60.2	28%	0.283	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.4	179	-54.2	175.6	0	0	0	110.6	V365 V392 S428	V365-L390 HydrophobicContact CB-CD1 4.39Å; V365-L390 HydrophobicContact CG1-CD1 3.48Å; V365-L390 VanDerWaalsContact CG1-CD1 3.48Å; L390-V392 PolarHBondContact O-N 3.48Å; L390-S428 PolarHBondContact N-O 3.24Å
391	D	78.8	Confident	86.8	Confident	170 Å²	170	62.2 Å²	62.2	91%	0.909	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-66.7	123.2	176.8	-74.8	-28.1	0	0	0	110.8
392	V	78.3	Confident	86.5	Confident	29 Å²	29	66 Å²	66	18%	0.176	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-99.5	122.7	175.7	-178	0	0	0	0	108.7	L390 Q394 N395 E426	L390-V392 PolarHBondContact O-N 3.48Å; V392-Q394 HydrophobicContact CG1-CB 4.49Å; V392-Q394 PolarHBondContact O-N 3.42Å; V392-Q394 VanDerWaalsContact O-N 3.09Å; V392-N395 HydrophobicContact CB-CB 4.09Å; V392-N395 WeakPolarHBondContact O-CB 3.31Å; V392-N395 PolarHBondContact O-N 2.95Å; V392-E426 HydrophobicContact CG1-CB 4.06Å; V392-E426 WeakPolarHBondContact CG1-OE2 3.5Å
393	K	71.5	Confident	86	Confident	216 Å²	216	67.3 Å²	67.3	94%	0.939	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-32.7	-175.3	-68.7	-179.4	-178.3	172	0	113.8	N395	K393-N395 VanDerWaalsContact C-N 3.35Å
394	Q	70.6	Confident	85.4	Confident	104 Å²	104	70.3 Å²	70.3	49%	0.486	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-16.7	-178.1	-57	-175.5	11.2	0	0	112.6	V392 S396 E426	V392-Q394 HydrophobicContact CG1-CB 4.49Å; V392-Q394 PolarHBondContact O-N 3.42Å; V392-Q394 VanDerWaalsContact O-N 3.09Å; Q394-S396 PolarHBondContact O-N 3.28Å; Q394-E426 PolarHBondContact OE1-OE2 3.47Å
395	N	78.3	Confident	84.3	Confident	30 Å²	30	75 Å²	75	16%	0.16	41%	0.409	C	S	.	.			trans	-87	111.9	-178.9	-169.7	-7.5	0	0	0	110.7	V392 K393 A397 M422 F425 E426	V392-N395 HydrophobicContact CB-CB 4.09Å; V392-N395 WeakPolarHBondContact O-CB 3.31Å; V392-N395 PolarHBondContact O-N 2.95Å; K393-N395 VanDerWaalsContact C-N 3.35Å; N395-A397 WeakPolarHBondContact OD1-CB 3.48Å; N395-A397 PolarHBondContact OD1-N 2.9Å; N395-M422 WeakPolarHBondContact OD1-CE 3.25Å; N395-F425 WeakPolarHBondContact ND2-CE2 3.31Å; N395-E426 PolarHBondContact ND2-O 3Å
396	S	82.6	Confident	83.1	Confident	54 Å²	54	78.8 Å²	78.8	38%	0.378	45%	0.449	S	S	.	.			trans	-96.8	8.4	176.5	61.6	0	0	0	0	113.8	Q394 Q419 M422	Q394-S396 PolarHBondContact O-N 3.28Å; S396-Q419 WeakPolarHBondContact O-CG 3.22Å; S396-Q419 PolarHBondContact O-NE2 3.34Å; S396-M422 PolarHBondContact OG-SD 2.95Å
397	A	86.8	Confident	81.9	Confident	16 Å²	16	85 Å²	85	13%	0.132	48%	0.476	C	S	.	.			trans	-68.6	143.3	177.8	0	0	0	0	0	111.5	N395 F399 Y416 R417 M422 F425	N395-A397 WeakPolarHBondContact OD1-CB 3.48Å; N395-A397 PolarHBondContact OD1-N 2.9Å; A397-F399 PolarHBondContact O-N 3.33Å; A397-Y416 HydrophobicContact CB-CD1 4.06Å; A397-R417 CarbonylContact C-O 3.58Å; A397-R417 VanDerWaalsContact CA-O 3.3Å; A397-R417 WeakPolarHBondContact CA-O 3.43Å; A397-M422 HydrophobicContact CB-CE 4.18Å; A397-M422 HydrophobicContact CB-SD 4.43Å; A397-F425 HydrophobicContact CB-CE2 4.41Å
398	I	89.5	Confident	81	Confident	95 Å²	95	86.7 Å²	86.7	49%	0.487	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	113.7	176.8	-59	170.5	0	0	0	107.9	Y416 R417	I398-Y416 WeakPolarHBondContact O-CA 3.3Å; I398-R417 HydrophobicContact CB-CB 4.46Å; I398-R417 PolarHBondContact N-O 3.02Å; I398-R417 PolarHBondContact O-N 3.18Å
399	F	91.6	Very high	80.5	Confident	82 Å²	82	87.7 Å²	87.7	36%	0.36	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	138.8	173.5	179.3	-109.2	0	0	0	111.2	L389 A397 P401 A414 T415 Y416	L389-F399 HydrophobicContact CD1-CD2 4.47Å; L389-F399 HydrophobicContact CD1-CE2 3.48Å; L389-F399 VanDerWaalsContact CD1-CE2 3.48Å; L389-F399 HydrophobicContact CD1-CZ 3.79Å; A397-F399 PolarHBondContact O-N 3.33Å; F399-P401 HydrophobicContact CE1-CB 4.12Å; F399-P401 HydrophobicContact CE1-CG 4.08Å; F399-P401 HydrophobicContact CZ-CB 4.22Å; F399-A414 HydrophobicContact CD2-CB 4.05Å; F399-A414 HydrophobicContact CE2-CB 3.2Å; F399-A414 HydrophobicContact CZ-CB 3.61Å; F399-T415 CarbonylContact C-O 3.56Å; F399-T415 WeakPolarHBondContact CA-O 3.28Å; F399-Y416 HydrophobicContact CB-CD1 4.13Å; F399-Y416 HydrophobicContact CB-CE1 3.86Å; F399-Y416 HydrophobicContact CD2-CD1 4.12Å; F399-Y416 HydrophobicContact CD2-CD2 4.14Å; F399-Y416 AromaticContact CD2-CE1 3.59Å; F399-Y416 HydrophobicContact CD2-CE1 3.59Å; F399-Y416 AromaticContact CD2-CE2 3.59Å; F399-Y416 HydrophobicContact CD2-CE2 3.59Å; F399-Y416 HydrophobicContact CD2-CG 4.39Å; F399-Y416 AromaticContact CD2-CZ 3.31Å; F399-Y416 AromaticContact CE2-CE2 3.9Å; F399-Y416 HydrophobicContact CE2-CE2 3.9Å; F399-Y416 AromaticContact CE2-CZ 3.85Å; F399-Y416 HydrophobicContact CG-CE1 4.14Å
400	S	92.6	Very high	80.4	Confident	53 Å²	53	86.6 Å²	86.6	37%	0.371	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	103.5	177.4	-68.5	0	0	0	0	109.7	A414 T415	S400-A414 WeakPolarHBondContact O-CA 3.24Å; S400-T415 PolarHBondContact N-O 2.76Å; S400-T415 PolarHBondContact O-N 3.21Å; S400-T415 PolarHBondContact O-OG1 2.83Å
401	P	91.1	Very high	80.6	Confident	89 Å²	89	86.4 Å²	86.4	58%	0.578	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	144.5	176.8	29.8	-32.9	0	0	0	110.5	F399	F399-P401 HydrophobicContact CE1-CB 4.12Å; F399-P401 HydrophobicContact CE1-CG 4.08Å; F399-P401 HydrophobicContact CZ-CB 4.22Å
402	I	90.7	Very high	81.2	Confident	79 Å²	79	79.9 Å²	79.9	41%	0.405	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-103.2	128.3	177.9	-65.7	169.1	0	0	0	107.9	L380 I404 I413 T415	L380-I402 HydrophobicContact CD1-CD1 4.12Å; I402-I404 PolarHBondContact O-N 2.88Å; I402-I413 HydrophobicContact CB-CB 4.27Å; I402-I413 HydrophobicContact CB-CG2 4.11Å; I402-I413 HydrophobicContact CD1-CG2 3.83Å; I402-I413 HydrophobicContact CG1-CG2 4.45Å; I402-I413 PolarHBondContact N-O 2.65Å; I402-T415 HydrophobicContact CD1-CG2 3.81Å
403	A	84.8	Confident	81.9	Confident	90 Å²	90	80.1 Å²	80.1	74%	0.744	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-66	125.4	175.9	0	0	0	0	0	110.2
404	I	79.9	Confident	83	Confident	62 Å²	62	69.8 Å²	69.8	32%	0.318	42%	0.423	S	S	.	.			trans	-93.9	106.6	-179.9	-56.8	176	0	0	0	108.4	I402 G406 S408 D410 I413	I402-I404 PolarHBondContact O-N 2.88Å; I404-G406 PolarHBondContact O-N 2.78Å; I404-S408 WeakPolarHBondContact CG2-OG 3.48Å; I404-D410 HydrophobicContact CD1-CB 4.3Å; I404-D410 VanDerWaalsContact CD1-O 3.29Å; I404-D410 WeakPolarHBondContact CD1-O 3.31Å; I404-I413 HydrophobicContact CD1-CB 4.4Å; I404-I413 HydrophobicContact CD1-CD1 4.28Å; I404-I413 HydrophobicContact CD1-CG1 3.91Å; I404-I413 HydrophobicContact CG1-CB 4.44Å; I404-I413 HydrophobicContact CG1-CD1 4.19Å; I404-I413 HydrophobicContact CG1-CG1 4.19Å
405	E	70.6	Confident	84.1	Confident	171 Å²	171	67 Å²	67	80%	0.799	41%	0.413	S	S	*	.			trans	-90.9	96.9	174.1	-69.2	-172.8	176.2	0	0	110.4	I407	E405-I407 WeakPolarHBondContact O-CG1 3.19Å; E405-I407 PolarHBondContact O-N 2.96Å
406	G	65.1	Low	84.9	Confident	85 Å²	85	66.5 Å²	66.5	88%	0.876	41%	0.409	S	S	*	.	S	Bend	trans	53	-3.6	152.8	0	0	0	0	0	121.3	I404	I404-G406 PolarHBondContact O-N 2.78Å
407	I	63	Low	85.4	Confident	169 Å²	169	71.9 Å²	71.9	87%	0.867	42%	0.421	S	S	*	.	S	Bend	trans	-111.7	-32.3	-170.3	-60.9	169.4	0	0	0	111.6	E405	E405-I407 WeakPolarHBondContact O-CG1 3.19Å; E405-I407 PolarHBondContact O-N 2.96Å
408	S	72	Confident	85.5	Confident	50 Å²	50	71.2 Å²	71.2	35%	0.35	42%	0.415	S	S	.	.			trans	-93.7	145.3	178.6	69.7	0	0	0	0	111.8	I404 D410	I404-S408 WeakPolarHBondContact CG2-OG 3.48Å; S408-D410 PolarHBondContact O-N 2.91Å
409	S	79.5	Confident	85.1	Confident	103 Å²	103	71.7 Å²	71.7	72%	0.72	42%	0.415	S	S	*	.			trans	-76.5	5.2	170.2	54.4	0	0	0	0	112.9
410	D	85.5	Confident	84.3	Confident	18 Å²	18	71.3 Å²	71.3	10%	0.096	43%	0.427	C	S	.	.			trans	-77.7	136.1	-174.8	-57.6	-35.9	0	0	0	109.9	R382 I404 S408 I413	R382-D410 IonicContact CZ-OD1 2.79Å; R382-D410 VanDerWaalsContact CZ-OD1 3.27Å; R382-D410 IonicContact CZ-OD2 3.13Å; R382-D410 IonicContact NE-OD1 3.69Å; R382-D410 PolarHBondContact NE-OD1 3.01Å; R382-D410 IonicContact NE-OD2 2.83Å; R382-D410 PolarHBondContact NE-OD2 3.26Å; R382-D410 IonicContact NH2-OD1 3.79Å; R382-D410 PolarHBondContact NH2-OD1 3.41Å; R382-D410 IonicContact NH2-OD2 2.66Å; I404-D410 HydrophobicContact CD1-CB 4.3Å; I404-D410 VanDerWaalsContact CD1-O 3.29Å; I404-D410 WeakPolarHBondContact CD1-O 3.31Å; S408-D410 PolarHBondContact O-N 2.91Å; D410-I413 HydrophobicContact CB-CD1 4.22Å; D410-I413 HydrophobicContact CB-CG1 4.04Å
411	A	89.1	Confident	83.6	Confident	49 Å²	49	73.4 Å²	73.4	41%	0.405	43%	0.434	S	S	.	.	S	Bend	trans	-81.4	-30.3	176.3	0	0	0	0	0	111.9	S383 A386	S383-A411 PolarHBondContact O-N 2.52Å; A386-A411 HydrophobicContact CB-CB 4.39Å
412	L	91.3	Very high	83.4	Confident	34 Å²	34	69.9 Å²	69.9	18%	0.178	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	134.1	-179.4	179.8	64.9	0	0	0	111.1	L381 R382 S383 I387 L389	L381-L412 HydrophobicContact CD2-CD2 4.09Å; R382-L412 CarbonylContact C-O 3.58Å; R382-L412 WeakPolarHBondContact CA-O 3.21Å; S383-L412 PolarHBondContact N-O 2.88Å; S383-L412 PolarHBondContact O-N 2.59Å; I387-L412 HydrophobicContact CD1-CD2 4.11Å; I387-L412 HydrophobicContact CG1-CD2 3.85Å; L389-L412 HydrophobicContact CD1-CD2 3.72Å; L389-L412 HydrophobicContact CG-CD2 4.1Å
413	I	93.7	Very high	83.2	Confident	33 Å²	33	67.2 Å²	67.2	17%	0.169	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	128.5	166.5	-56.3	177.4	0	0	0	107.3	L380 L381 R382 I402 I404 D410	L380-I413 HydrophobicContact CD1-CG2 3.97Å; L381-I413 CarbonylContact O-C 3.57Å; L381-I413 WeakPolarHBondContact O-CA 3.31Å; R382-I413 HydrophobicContact CG-CG1 4.49Å; I402-I413 HydrophobicContact CB-CB 4.27Å; I402-I413 HydrophobicContact CB-CG2 4.11Å; I402-I413 HydrophobicContact CD1-CG2 3.83Å; I402-I413 HydrophobicContact CG1-CG2 4.45Å; I402-I413 PolarHBondContact N-O 2.65Å; I404-I413 HydrophobicContact CD1-CB 4.4Å; I404-I413 HydrophobicContact CD1-CD1 4.28Å; I404-I413 HydrophobicContact CD1-CG1 3.91Å; I404-I413 HydrophobicContact CG1-CB 4.44Å; I404-I413 HydrophobicContact CG1-CD1 4.19Å; I404-I413 HydrophobicContact CG1-CG1 4.19Å; D410-I413 HydrophobicContact CB-CD1 4.22Å; D410-I413 HydrophobicContact CB-CG1 4.04Å
414	A	93.7	Very high	83.4	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	156.8	179.3	0	0	0	0	0	112.1	L381 F399 S400	L381-A414 PolarHBondContact N-O 3.47Å; L381-A414 PolarHBondContact O-N 2.98Å; F399-A414 HydrophobicContact CD2-CB 4.05Å; F399-A414 HydrophobicContact CE2-CB 3.2Å; F399-A414 HydrophobicContact CZ-CB 3.61Å; S400-A414 WeakPolarHBondContact O-CA 3.24Å
415	T	94.9	Very high	83.8	Confident	45 Å²	45	61.3 Å²	61.3	28%	0.276	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	135.9	175.7	54	0	0	0	0	110.2	L380 F399 S400 I402	L380-T415 HydrophobicContact CB-CG2 4.4Å; L380-T415 HydrophobicContact CD1-CG2 3.51Å; F399-T415 CarbonylContact C-O 3.56Å; F399-T415 WeakPolarHBondContact CA-O 3.28Å; S400-T415 PolarHBondContact N-O 2.76Å; S400-T415 PolarHBondContact O-N 3.21Å; S400-T415 PolarHBondContact O-OG1 2.83Å; I402-T415 HydrophobicContact CD1-CG2 3.81Å
416	Y	94.3	Very high	84.7	Confident	19 Å²	19	54.6 Å²	54.6	8%	0.075	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	112.7	168.2	-75.3	-88.9	0	0	0	108.5	W378 V379 L381 L389 A397 I398 F399 F425 M427	W378-Y416 CarbonylContact C-O 3.46Å; W378-Y416 WeakPolarHBondContact CA-O 3.24Å; W378-Y416 WeakPolarHBondContact CB-O 3.41Å; V379-Y416 PolarHBondContact N-O 3.25Å; V379-Y416 PolarHBondContact O-N 3.03Å; L381-Y416 HydrophobicContact CD2-CE2 4.43Å; L389-Y416 HydrophobicContact CD1-CE2 4.47Å; A397-Y416 HydrophobicContact CB-CD1 4.06Å; I398-Y416 WeakPolarHBondContact O-CA 3.3Å; F399-Y416 HydrophobicContact CB-CD1 4.13Å; F399-Y416 HydrophobicContact CB-CE1 3.86Å; F399-Y416 HydrophobicContact CD2-CD1 4.12Å; F399-Y416 HydrophobicContact CD2-CD2 4.14Å; F399-Y416 AromaticContact CD2-CE1 3.59Å; F399-Y416 HydrophobicContact CD2-CE1 3.59Å; F399-Y416 AromaticContact CD2-CE2 3.59Å; F399-Y416 HydrophobicContact CD2-CE2 3.59Å; F399-Y416 HydrophobicContact CD2-CG 4.39Å; F399-Y416 AromaticContact CD2-CZ 3.31Å; F399-Y416 AromaticContact CE2-CE2 3.9Å; F399-Y416 HydrophobicContact CE2-CE2 3.9Å; F399-Y416 AromaticContact CE2-CZ 3.85Å; F399-Y416 HydrophobicContact CG-CE1 4.14Å; Y416-F425 AromaticContact CD1-CE2 3.7Å; Y416-F425 HydrophobicContact CD1-CE2 3.7Å; Y416-F425 HydrophobicContact CD1-CZ 4Å; Y416-F425 HydrophobicContact CD2-CE2 4.03Å; Y416-F425 AromaticContact CD2-CZ 3.64Å; Y416-F425 HydrophobicContact CD2-CZ 3.64Å; Y416-F425 HydrophobicContact CE1-CE2 4.29Å; Y416-F425 HydrophobicContact CE1-CZ 4.27Å; Y416-F425 AromaticContact CE2-CZ 3.95Å; Y416-F425 HydrophobicContact CE2-CZ 3.95Å; Y416-F425 AromaticContact CG-CE2 3.52Å; Y416-F425 HydrophobicContact CG-CE2 3.52Å; Y416-F425 AromaticContact CG-CZ 3.65Å; Y416-F425 HydrophobicContact CG-CZ 3.65Å; Y416-M427 HydrophobicContact CE2-CE 3.72Å
417	R	93.6	Very high	85.9	Confident	168 Å²	168	50.8 Å²	50.8	63%	0.634	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	111.2	173.4	-172.8	177	-179.5	174.1	0.2	109.4	A397 I398	A397-R417 CarbonylContact C-O 3.58Å; A397-R417 VanDerWaalsContact CA-O 3.3Å; A397-R417 WeakPolarHBondContact CA-O 3.43Å; I398-R417 HydrophobicContact CB-CB 4.46Å; I398-R417 PolarHBondContact N-O 3.02Å; I398-R417 PolarHBondContact O-N 3.18Å
418	C	88.6	Confident	87.3	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.014	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-77.2	134.2	-178.4	-66.5	0	0	0	0	110.4	I376 D377 M422 R446	I376-C418 HydrophobicContact CB-CB 4.15Å; I376-C418 HydrophobicContact CG2-CB 4.22Å; I376-C418 WeakPolarHBondContact O-CB 3.36Å; D377-C418 PolarHBondContact O-N 2.79Å; C418-M422 HydrophobicContact CB-CB 4.2Å; C418-M422 HydrophobicContact CB-SD 3.86Å; C418-R446 PolarHBondContact O-NH2 2.84Å
419	Q	82.4	Confident	88.2	Confident	104 Å²	104	41.3 Å²	41.3	49%	0.486	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-67.2	167.2	173.8	-64.5	-171.8	2.2	0	0	110.9	S396 N421 M422	S396-Q419 WeakPolarHBondContact O-CG 3.22Å; S396-Q419 PolarHBondContact O-NE2 3.34Å; Q419-N421 PolarHBondContact O-N 3.37Å; Q419-M422 HydrophobicContact CB-SD 4.13Å; Q419-M422 PolarHBondContact N-SD 3.38Å; Q419-M422 PolarHBondContact O-N 3.45Å
420	A	73.5	Confident	88.7	Confident	74 Å²	74	37.2 Å²	37.2	61%	0.612	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	134.3	-177.9	0	0	0	0	0	111.4
421	N	79	Confident	89	Confident	97 Å²	97	36.4 Å²	36.4	52%	0.519	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	10.9	176.2	-48.6	-23.1	0	0	0	117	Q419 T423	Q419-N421 PolarHBondContact O-N 3.37Å; N421-T423 PolarHBondContact O-N 3.08Å
422	M	86.1	Confident	88.9	Confident	16 Å²	16	36.6 Å²	36.6	8%	0.079	19%	0.187	C	C	.	.			trans	-70.7	113.6	168.8	-66.4	177.8	71.4	0	0	110	S375 I376 N395 S396 A397 C418 Q419	S375-M422 CarbonylContact C-O 3.55Å; S375-M422 VanDerWaalsContact CA-O 3.23Å; S375-M422 WeakPolarHBondContact CA-O 3.3Å; I376-M422 PolarHBondContact N-O 2.84Å; N395-M422 WeakPolarHBondContact OD1-CE 3.25Å; S396-M422 PolarHBondContact OG-SD 2.95Å; A397-M422 HydrophobicContact CB-CE 4.18Å; A397-M422 HydrophobicContact CB-SD 4.43Å; C418-M422 HydrophobicContact CB-CB 4.2Å; C418-M422 HydrophobicContact CB-SD 3.86Å; Q419-M422 HydrophobicContact CB-SD 4.13Å; Q419-M422 PolarHBondContact N-SD 3.38Å; Q419-M422 PolarHBondContact O-N 3.45Å
423	T	87.4	Confident	88.8	Confident	23 Å²	23	36.4 Å²	36.4	14%	0.141	19%	0.185	C	C	.	.			trans	-95.1	-23.1	172.7	41.6	0	0	0	0	112.5	S251 E371 L372 N421	S251-T423 PolarHBondContact O-OG1 3.45Å; E371-T423 WeakPolarHBondContact CA-O 3.3Å; L372-T423 PolarHBondContact N-O 3.19Å; L372-T423 WeakPolarHBondContact O-CB 3.39Å; N421-T423 PolarHBondContact O-N 3.08Å
424	R	87.5	Confident	88.4	Confident	26 Å²	26	36.1 Å²	36.1	10%	0.098	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.9	-178.6	-173.7	-179	174.3	104.9	-3.8	110.3	D218 S369 M370 E371 E426	D218-R424 VanDerWaalsContact CG-CZ 3.5Å; D218-R424 PolarHBondContact O-NH1 3.27Å; D218-R424 IonicContact OD1-CZ 3.39Å; D218-R424 IonicContact OD1-NH1 3.25Å; D218-R424 PolarHBondContact OD1-NH1 3.5Å; D218-R424 IonicContact OD1-NH2 3.82Å; D218-R424 IonicContact OD2-CZ 3.72Å; D218-R424 IonicContact OD2-NH1 3.67Å; D218-R424 PolarHBondContact OD2-NH1 3.39Å; D218-R424 IonicContact OD2-NH2 3.16Å; D218-R424 PolarHBondContact OD2-NH2 2.95Å; S369-R424 VanDerWaalsContact OG-CZ 3.3Å; S369-R424 PolarHBondContact OG-NH2 3.47Å; S369-R424 VanDerWaalsContact OG-NH2 3.17Å; M370-R424 CarbonylContact O-C 3.56Å; M370-R424 WeakPolarHBondContact O-CA 3.18Å; E371-R424 HydrophobicContact CG-CB 4.09Å; E371-R424 HydrophobicContact CG-CG 4.5Å; E371-R424 IonicContact OE2-NH1 2.67Å; R424-E426 HydrophobicContact CG-CG 4.36Å; R424-E426 IonicContact CZ-OE1 3.3Å; R424-E426 IonicContact NE-OE1 2.8Å; R424-E426 PolarHBondContact NE-OE1 2.98Å; R424-E426 IonicContact NH2-OE1 3.86Å; R424-E426 PolarHBondContact NH2-OE1 3.13Å
425	F	89.8	Confident	88.2	Confident	1 Å²	1	40.7 Å²	40.7	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.4	173.8	174.8	-93.1	0	0	0	108.9	M370 I376 V379 N395 A397 Y416 M427 L441	M370-F425 HydrophobicContact CG-CB 3.7Å; M370-F425 HydrophobicContact CG-CD1 3.83Å; M370-F425 HydrophobicContact CG-CG 4.25Å; M370-F425 WeakPolarHBondContact CG-O 3.47Å; M370-F425 PolarHBondContact N-O 3.46Å; M370-F425 PolarHBondContact O-N 3.21Å; M370-F425 HydrophobicContact SD-CB 4.12Å; M370-F425 HydrophobicContact SD-CD1 3.62Å; M370-F425 HydrophobicContact SD-CE1 4.48Å; M370-F425 HydrophobicContact SD-CG 4.23Å; I376-F425 HydrophobicContact CD1-CB 3.67Å; V379-F425 HydrophobicContact CG1-CE1 4.41Å; V379-F425 HydrophobicContact CG2-CD1 4.43Å; V379-F425 HydrophobicContact CG2-CD2 4.26Å; V379-F425 HydrophobicContact CG2-CG 4.22Å; N395-F425 WeakPolarHBondContact ND2-CE2 3.31Å; A397-F425 HydrophobicContact CB-CE2 4.41Å; Y416-F425 AromaticContact CD1-CE2 3.7Å; Y416-F425 HydrophobicContact CD1-CE2 3.7Å; Y416-F425 HydrophobicContact CD1-CZ 4Å; Y416-F425 HydrophobicContact CD2-CE2 4.03Å; Y416-F425 AromaticContact CD2-CZ 3.64Å; Y416-F425 HydrophobicContact CD2-CZ 3.64Å; Y416-F425 HydrophobicContact CE1-CE2 4.29Å; Y416-F425 HydrophobicContact CE1-CZ 4.27Å; Y416-F425 AromaticContact CE2-CZ 3.95Å; Y416-F425 HydrophobicContact CE2-CZ 3.95Å; Y416-F425 AromaticContact CG-CE2 3.52Å; Y416-F425 HydrophobicContact CG-CE2 3.52Å; Y416-F425 AromaticContact CG-CZ 3.65Å; Y416-F425 HydrophobicContact CG-CZ 3.65Å; F425-M427 HydrophobicContact CE1-CB 4.14Å; F425-M427 HydrophobicContact CE1-CE 4.11Å; F425-M427 HydrophobicContact CE1-CG 4.14Å; F425-M427 HydrophobicContact CE1-SD 4.1Å; F425-M427 HydrophobicContact CZ-CB 4.39Å; F425-M427 HydrophobicContact CZ-CE 4.12Å; F425-L441 HydrophobicContact CE1-CD2 4.26Å
426	E	89.3	Confident	88.1	Confident	31 Å²	31	41.6 Å²	41.6	15%	0.145	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.4	-180	-65.9	-176.6	165.5	0	0	110.1	L368 V392 Q394 N395 R424	L368-E426 WeakPolarHBondContact O-CA 3.08Å; V392-E426 HydrophobicContact CG1-CB 4.06Å; V392-E426 WeakPolarHBondContact CG1-OE2 3.5Å; Q394-E426 PolarHBondContact OE1-OE2 3.47Å; N395-E426 PolarHBondContact ND2-O 3Å; R424-E426 HydrophobicContact CG-CG 4.36Å; R424-E426 IonicContact CZ-OE1 3.3Å; R424-E426 IonicContact NE-OE1 2.8Å; R424-E426 PolarHBondContact NE-OE1 2.98Å; R424-E426 IonicContact NH2-OE1 3.86Å; R424-E426 PolarHBondContact NH2-OE1 3.13Å
427	M	90.8	Very high	88.1	Confident	5 Å²	5	41.3 Å²	41.3	3%	0.025	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	144.2	171.8	65.9	178.2	-4.2	0	0	111.1	L368 L381 L389 Y416 F425 V429 L441	L368-M427 HydrophobicContact CB-CG 3.68Å; L368-M427 HydrophobicContact CB-SD 4.4Å; L368-M427 HydrophobicContact CD2-CG 3.98Å; L368-M427 HydrophobicContact CD2-SD 3.67Å; L368-M427 HydrophobicContact CG-CG 4.26Å; L368-M427 PolarHBondContact N-O 3.26Å; L368-M427 PolarHBondContact O-N 3.12Å; L381-M427 HydrophobicContact CD1-CE 3.98Å; L381-M427 HydrophobicContact CD1-SD 4.28Å; L381-M427 HydrophobicContact CD2-CE 3.94Å; L389-M427 HydrophobicContact CD2-CE 4.02Å; Y416-M427 HydrophobicContact CE2-CE 3.72Å; F425-M427 HydrophobicContact CE1-CB 4.14Å; F425-M427 HydrophobicContact CE1-CE 4.11Å; F425-M427 HydrophobicContact CE1-CG 4.14Å; F425-M427 HydrophobicContact CE1-SD 4.1Å; F425-M427 HydrophobicContact CZ-CB 4.39Å; F425-M427 HydrophobicContact CZ-CE 4.12Å; M427-V429 HydrophobicContact CG-CG2 4.13Å; M427-V429 HydrophobicContact SD-CG2 4.06Å; M427-L441 HydrophobicContact SD-CD1 4.45Å; M427-L441 HydrophobicContact SD-CD2 4.12Å
428	S	90.9	Very high	88.1	Confident	17 Å²	17	36.1 Å²	36.1	12%	0.119	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.5	172.6	-71.4	0	0	0	0	108.6	H366 L390	H366-S428 CarbonylContact O-C 3.58Å; H366-S428 WeakPolarHBondContact O-CA 3.42Å; L390-S428 PolarHBondContact N-O 3.24Å
429	V	92	Very high	88.4	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.7	-175.2	-175.7	0	0	0	0	109.3	H366 I387 L389 M427 T431 L439	H366-V429 HydrophobicContact CB-CB 4.41Å; H366-V429 PolarHBondContact N-O 3.28Å; H366-V429 PolarHBondContact O-N 2.81Å; I387-V429 HydrophobicContact CB-CG1 3.78Å; I387-V429 HydrophobicContact CD1-CG1 3.81Å; I387-V429 HydrophobicContact CG1-CG1 4.34Å; I387-V429 HydrophobicContact CG2-CG1 3.88Å; L389-V429 HydrophobicContact CD2-CG2 3.99Å; M427-V429 HydrophobicContact CG-CG2 4.13Å; M427-V429 HydrophobicContact SD-CG2 4.06Å; V429-T431 HydrophobicContact CG1-CG2 4.41Å; V429-L439 HydrophobicContact CG2-CD2 4.21Å
430	R	90.5	Very high	89	Confident	17 Å²	17	32.5 Å²	32.5	6%	0.064	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127.6	170.5	-165.8	-178.9	-68.5	135.4	-6.1	109.5	V365 I387 D388 A629	V365-R430 HydrophobicContact CG1-CB 4.48Å; I387-R430 WeakPolarHBondContact CA-O 3.46Å; D388-R430 HydrophobicContact CB-CB 4.07Å; D388-R430 PolarHBondContact N-O 3.49Å; D388-R430 PolarHBondContact O-N 3.26Å; D388-R430 IonicContact OD2-NH1 2.7Å; R430-A629 VanDerWaalsContact NH1-CB 3.31Å
431	T	91.1	Very high	90.1	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.151	C	C	.	.			trans	-105.8	163.2	-179.8	59.7	0	0	0	0	111.1	H366 V429 I459 S463 R633	H366-T431 PolarHBondContact CE1-OG1 2.95Å; V429-T431 HydrophobicContact CG1-CG2 4.41Å; T431-I459 HydrophobicContact CG2-CD1 4.19Å; T431-I459 HydrophobicContact CG2-CG1 4.41Å; T431-I459 HydrophobicContact CG2-CG2 3.77Å; T431-S463 WeakPolarHBondContact CB-OG 3.46Å; T431-S463 PolarHBondContact OG1-OG 3.4Å; T431-R633 PolarHBondContact O-NH2 3.42Å
432	I	87.6	Confident	91	Very high	52 Å²	52	27.7 Å²	27.7	27%	0.267	14%	0.139	S	C	.	.			trans	-116.4	124.3	174.8	-58.6	170.9	0	0	0	107.3	K435	I432-K435 HydrophobicContact CB-CD 4.35Å; I432-K435 PolarHBondContact O-N 3.44Å
433	E	87.8	Confident	91.4	Very high	31 Å²	31	27 Å²	27	15%	0.145	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	143.8	176.6	-64.3	-146.9	138	0	0	111.5	K435 A461 L464 H465 I546	E433-K435 VanDerWaalsContact C-N 3.29Å; E433-K435 PolarHBondContact O-N 3.14Å; E433-A461 WeakPolarHBondContact CA-O 3.4Å; E433-L464 HydrophobicContact CG-CB 4.11Å; E433-L464 HydrophobicContact CG-CD1 3.72Å; E433-L464 HydrophobicContact CG-CG 3.86Å; E433-L464 WeakPolarHBondContact OE1-CB 3.35Å; E433-L464 PolarHBondContact OE1-N 3.08Å; E433-H465 IonicContact OE1-CE1 3.92Å; E433-H465 PolarHBondContact OE1-CE1 2.96Å; E433-H465 IonicContact OE1-CG 3.07Å; E433-H465 IonicContact OE1-ND1 2.82Å; E433-H465 PolarHBondContact OE1-ND1 3.39Å; E433-H465 IonicContact OE2-CE1 3.63Å; E433-H465 PolarHBondContact OE2-CE1 3.02Å; E433-H465 VanDerWaalsContact OE2-CE1 3.25Å; E433-H465 IonicContact OE2-ND1 3.93Å; E433-I546 HydrophobicContact CB-CD1 3.88Å
434	G	85.9	Confident	91.8	Very high	27 Å²	27	26.1 Å²	26.1	28%	0.278	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-21.8	-172.9	0	0	0	0	0	114	A461	G434-A461 PolarHBondContact N-O 3.43Å
435	K	89.3	Confident	92	Very high	96 Å²	96	24.9 Å²	24.9	42%	0.417	13%	0.126	S	C	.	.			trans	-96.3	136.1	169.4	-56	-174.7	-178.4	171.8	0	109.8	V385 A386 I432 E433	V385-K435 HydrophobicContact CG1-CB 3.63Å; A386-K435 HydrophobicContact CB-CD 4.31Å; I432-K435 HydrophobicContact CB-CD 4.35Å; I432-K435 PolarHBondContact O-N 3.44Å; E433-K435 VanDerWaalsContact C-N 3.29Å; E433-K435 PolarHBondContact O-N 3.14Å
436	Y	93.4	Very high	92	Very high	63 Å²	63	29.8 Å²	29.8	25%	0.247	14%	0.144	C	C	.	.			trans	-150.8	155.2	-175.3	66.4	-75.7	0	0	0	109.2	V385 I459 A461 F497 V550 R553	V385-Y436 VanDerWaalsContact CG2-O 3.31Å; V385-Y436 WeakPolarHBondContact CG2-O 3.28Å; Y436-I459 VanDerWaalsContact CA-O 3.23Å; Y436-I459 WeakPolarHBondContact CA-O 3.45Å; Y436-I459 VanDerWaalsContact CB-O 3.23Å; Y436-I459 WeakPolarHBondContact CB-O 3.28Å; Y436-A461 HydrophobicContact CD1-CB 4.21Å; Y436-A461 HydrophobicContact CG-CB 4.25Å; Y436-F497 AromaticContact CD2-CE1 3.56Å; Y436-F497 HydrophobicContact CD2-CE1 3.56Å; Y436-F497 AromaticContact CD2-CZ 3.42Å; Y436-F497 HydrophobicContact CD2-CZ 3.42Å; Y436-F497 VanDerWaalsContact CD2-CZ 3.42Å; Y436-F497 AromaticContact CE2-CE1 3.66Å; Y436-F497 HydrophobicContact CE2-CE1 3.66Å; Y436-F497 AromaticContact CE2-CZ 3.48Å; Y436-F497 HydrophobicContact CE2-CZ 3.48Å; Y436-F497 VanDerWaalsContact CE2-CZ 3.48Å; Y436-F497 HydrophobicContact CG-CE1 4.4Å; Y436-V550 HydrophobicContact CD1-CG2 4.47Å; Y436-R553 VanDerWaalsContact CE1-NH1 3.34Å; Y436-R553 PolarHBondContact OH-NE 2.8Å; Y436-R553 PolarHBondContact OH-NH1 2.82Å; Y436-R553 VanDerWaalsContact OH-NH1 3.16Å; Y436-R553 PolarHBondContact OH-NH2 3.04Å
437	G	93	Very high	91.9	Very high	13 Å²	13	30.3 Å²	30.3	13%	0.134	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.1	-172.5	-171.8	0	0	0	0	0	111.2	V385 I459	V385-G437 VanDerWaalsContact CG2-N 3.34Å; G437-I459 PolarHBondContact N-O 3.36Å; G437-I459 VanDerWaalsContact N-O 3.13Å; G437-I459 WeakPolarHBondContact O-CB 3.28Å; G437-I459 PolarHBondContact O-N 2.97Å
438	N	93.9	Very high	91.6	Very high	60 Å²	60	33.5 Å²	33.5	32%	0.321	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	140.3	-174.4	-60.2	-55.3	0	0	0	113.1	E384 E440	E384-N438 PolarHBondContact N-O 3.42Å; E384-N438 VanDerWaalsContact N-O 3.08Å; E384-N438 PolarHBondContact OE2-N 2.89Å; E384-N438 PolarHBondContact OE2-ND2 3.13Å; N438-E440 HydrophobicContact CB-CG 4.47Å
439	L	94.7	Very high	91.4	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	111.6	165	-174.8	65.9	0	0	0	108.8	L381 I387 V429 L441 A456 Y457 I459	L381-L439 HydrophobicContact CD1-CD1 3.52Å; L381-L439 HydrophobicContact CD1-CG 4.09Å; L381-L439 HydrophobicContact CG-CD1 4.28Å; I387-L439 HydrophobicContact CD1-CD1 3.57Å; V429-L439 HydrophobicContact CG2-CD2 4.21Å; L439-L441 HydrophobicContact CD2-CD1 4.25Å; L439-L441 HydrophobicContact CG-CD1 3.91Å; L439-A456 CarbonylContact O-C 3.56Å; L439-A456 WeakPolarHBondContact O-CA 3.42Å; L439-Y457 PolarHBondContact N-O 3.08Å; L439-Y457 PolarHBondContact O-N 2.92Å; L439-I459 HydrophobicContact CB-CD1 4.14Å; L439-I459 HydrophobicContact CB-CG1 4.34Å
440	E	96.1	Very high	91.2	Very high	25 Å²	25	39.5 Å²	39.5	12%	0.117	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127.1	-175.2	-72	-178.8	170	0	0	111.2	L381 R382 N438 Y442 L454 R455 A456	L381-E440 CarbonylContact C-O 3.54Å; L381-E440 WeakPolarHBondContact CA-O 3.38Å; R382-E440 HydrophobicContact CB-CB 4.18Å; R382-E440 WeakPolarHBondContact CD-OE2 3.16Å; R382-E440 IonicContact CZ-OE2 3.98Å; R382-E440 PolarHBondContact N-O 2.79Å; R382-E440 IonicContact NE-OE2 3.95Å; R382-E440 IonicContact NH1-OE1 3.83Å; R382-E440 IonicContact NH1-OE2 3.3Å; R382-E440 PolarHBondContact NH1-OE2 2.85Å; R382-E440 PolarHBondContact O-N 2.83Å; N438-E440 HydrophobicContact CB-CG 4.47Å; E440-Y442 HydrophobicContact CB-CE2 4.4Å; E440-L454 HydrophobicContact CB-CD1 3.82Å; E440-L454 HydrophobicContact CG-CD1 4.11Å; E440-R455 CarbonylContact C-O 3.6Å; E440-R455 WeakPolarHBondContact CA-O 3.34Å; E440-A456 HydrophobicContact CG-CB 4.27Å
441	L	96.3	Very high	91.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.9	175.3	-81.6	76.5	0	0	0	110.1	L368 M370 V379 L380 L381 F425 M427 L439 V443 L454 R455 Y457	L368-L441 HydrophobicContact CD2-CD1 3.98Å; L368-L441 HydrophobicContact CD2-CD2 3.47Å; L368-L441 VanDerWaalsContact CD2-CD2 3.47Å; L368-L441 HydrophobicContact CD2-CG 4.39Å; M370-L441 HydrophobicContact SD-CD2 3.99Å; V379-L441 HydrophobicContact CG1-CB 4.21Å; V379-L441 HydrophobicContact CG1-CD2 3.9Å; V379-L441 HydrophobicContact CG1-CG 4.08Å; L380-L441 WeakPolarHBondContact O-CA 3.47Å; L381-L441 HydrophobicContact CD1-CD1 3.44Å; L381-L441 VanDerWaalsContact CD1-CD1 3.44Å; L381-L441 HydrophobicContact CD1-CG 3.89Å; F425-L441 HydrophobicContact CE1-CD2 4.26Å; M427-L441 HydrophobicContact SD-CD1 4.45Å; M427-L441 HydrophobicContact SD-CD2 4.12Å; L439-L441 HydrophobicContact CD2-CD1 4.25Å; L439-L441 HydrophobicContact CG-CD1 3.91Å; L441-V443 HydrophobicContact CB-CG2 4.38Å; L441-L454 CarbonylContact O-C 3.55Å; L441-L454 WeakPolarHBondContact O-CA 3.47Å; L441-R455 PolarHBondContact N-O 3.05Å; L441-R455 PolarHBondContact O-N 2.69Å; L441-Y457 HydrophobicContact CD1-CD2 4.12Å; L441-Y457 HydrophobicContact CD1-CE2 3.99Å
442	Y	96.7	Very high	91.3	Very high	71 Å²	71	42.2 Å²	42.2	28%	0.278	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	110.1	171.7	-69.9	-93.5	0	0	0	109	V379 L380 E440 C452 L454	V379-Y442 CarbonylContact C-O 3.51Å; V379-Y442 WeakPolarHBondContact CA-O 3.42Å; L380-Y442 HydrophobicContact CD2-CD2 3.94Å; L380-Y442 HydrophobicContact CD2-CG 4.24Å; L380-Y442 HydrophobicContact CG-CD2 4.29Å; L380-Y442 PolarHBondContact N-O 3.19Å; L380-Y442 PolarHBondContact O-N 2.84Å; E440-Y442 HydrophobicContact CB-CE2 4.4Å; Y442-C452 VanDerWaalsContact CB-SG 3.57Å; Y442-L454 HydrophobicContact CD1-CB 4.29Å; Y442-L454 HydrophobicContact CD1-CD1 4.16Å; Y442-L454 HydrophobicContact CD2-CD1 4.01Å; Y442-L454 HydrophobicContact CE1-CB 4.19Å; Y442-L454 HydrophobicContact CE1-CD1 3.91Å; Y442-L454 HydrophobicContact CE1-CD2 4.31Å; Y442-L454 HydrophobicContact CE1-CG 4.37Å; Y442-L454 HydrophobicContact CE2-CD1 3.76Å; Y442-L454 HydrophobicContact CG-CD1 4.22Å
443	V	95.5	Very high	91.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121	-169.9	-176	0	0	0	0	109.7	F351 I353 M370 L372 L441 C452 Q453	F351-V443 HydrophobicContact CE2-CG1 4.48Å; I353-V443 HydrophobicContact CD1-CB 4.11Å; I353-V443 HydrophobicContact CD1-CG1 4.17Å; I353-V443 HydrophobicContact CD1-CG2 4.26Å; M370-V443 HydrophobicContact CE-CB 3.97Å; M370-V443 HydrophobicContact CE-CG1 3.5Å; M370-V443 HydrophobicContact CE-CG2 3.25Å; M370-V443 HydrophobicContact SD-CG2 4.15Å; L372-V443 HydrophobicContact CD1-CG1 4.07Å; L372-V443 HydrophobicContact CD2-CG1 4.04Å; L441-V443 HydrophobicContact CB-CG2 4.38Å; V443-C452 PolarHBondContact N-SG 2.83Å; V443-C452 VanDerWaalsContact O-CA 3.27Å; V443-C452 WeakPolarHBondContact O-CA 3.47Å; V443-C452 PolarHBondContact O-SG 2.97Å; V443-Q453 PolarHBondContact N-O 2.78Å; V443-Q453 PolarHBondContact O-N 2.91Å
444	C	94.9	Very high	92	Very high	5 Å²	5	44 Å²	44	3%	0.034	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	112.8	179.3	-175.6	0	0	0	0	111	D377 W378 V451	D377-C444 WeakPolarHBondContact CB-O 3.41Å; D377-C444 PolarHBondContact N-O 3.31Å; W378-C444 HydrophobicContact CD2-CB 3.6Å; W378-C444 HydrophobicContact CE3-CB 3.98Å; W378-C444 HydrophobicContact CG-CB 4.19Å; W378-C444 HydrophobicContact CH2-CB 3.78Å; W378-C444 HydrophobicContact CZ2-CB 3.38Å; W378-C444 HydrophobicContact CZ3-CB 4.06Å; W378-C444 PolarHBondContact N-O 2.79Å; W378-C444 PolarHBondContact O-N 3.42Å; C444-V451 PolarHBondContact SG-O 3.34Å
445	P	93.2	Very high	92.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	160.5	172.3	31.7	-35	0	0	0	112.5	F351 L372 V374 T447 V451	F351-P445 HydrophobicContact CD1-CG 3.89Å; F351-P445 HydrophobicContact CD2-CG 4.31Å; F351-P445 HydrophobicContact CE1-CG 3.7Å; F351-P445 HydrophobicContact CE2-CG 4.11Å; F351-P445 HydrophobicContact CG-CG 4.21Å; F351-P445 VanDerWaalsContact CZ-CD 3.47Å; F351-P445 HydrophobicContact CZ-CG 3.81Å; L372-P445 HydrophobicContact CD2-CB 3.89Å; L372-P445 HydrophobicContact CD2-CG 4.46Å; V374-P445 HydrophobicContact CG2-CB 3.53Å; V374-P445 HydrophobicContact CG2-CG 4.44Å; P445-T447 HydrophobicContact CB-CG2 4.11Å; P445-T447 HydrophobicContact CG-CG2 4.12Å; P445-T447 PolarHBondContact O-N 3.31Å; P445-V451 WeakPolarHBondContact CD-O 3.35Å; P445-V451 HydrophobicContact CG-CG2 4.35Å
446	R	89.9	Confident	92.8	Very high	105 Å²	105	44 Å²	44	40%	0.396	24%	0.244	S	C	.	.	S	Bend	trans	-76.5	58.7	172.5	-62.3	-174.8	-178.8	-73.1	-9.8	111.7	S375 I376 D377 C418	S375-R446 PolarHBondContact O-N 3.22Å; S375-R446 WeakPolarHBondContact OG-CB 3.09Å; S375-R446 WeakPolarHBondContact OG-CD 3.43Å; I376-R446 PolarHBondContact O-NE 2.76Å; D377-R446 HydrophobicContact CB-CG 3.64Å; D377-R446 IonicContact OD1-CZ 3.86Å; D377-R446 IonicContact OD1-NE 2.7Å; D377-R446 IonicContact OD1-NH1 2.83Å; D377-R446 PolarHBondContact OD1-NH1 2.81Å; D377-R446 IonicContact OD1-NH2 3.71Å; D377-R446 PolarHBondContact OD1-NH2 2.76Å; C418-R446 PolarHBondContact O-NH2 2.84Å
447	T	87	Confident	92.8	Very high	42 Å²	42	42 Å²	42	26%	0.258	24%	0.236	S	C	.	.			trans	-109.7	164.5	176.8	59	0	0	0	0	112	V374 P445 P449 S450	V374-T447 HydrophobicContact CG2-CG2 4.16Å; P445-T447 HydrophobicContact CB-CG2 4.11Å; P445-T447 HydrophobicContact CG-CG2 4.12Å; P445-T447 PolarHBondContact O-N 3.31Å; T447-P449 CarbonylContact C-O 3.58Å; T447-P449 CarbonylContact O-C 3.28Å; T447-P449 PolarHBondContact OG1-O 3.19Å; T447-S450 PolarHBondContact O-N 2.72Å; T447-S450 PolarHBondContact O-OG 2.86Å
448	S	84.5	Confident	92.8	Very high	71 Å²	71	44.9 Å²	44.9	50%	0.497	25%	0.253	S	S	.	.	S	Bend	trans	-130.2	115.5	172.7	-173.9	0	0	0	0	108.7	R332	R332-S448 PolarHBondContact NE-OG 2.86Å; R332-S448 VanDerWaalsContact NH2-CB 3.33Å
449	P	85.8	Confident	92.8	Very high	55 Å²	55	42.7 Å²	42.7	36%	0.357	24%	0.241	S	C	.	.	S	Bend	cis	-66.5	152.8	3.4	30.1	-35.7	0	0	0	113	P349 T447	P349-P449 HydrophobicContact CG-CG 4.09Å; T447-P449 CarbonylContact C-O 3.58Å; T447-P449 CarbonylContact O-C 3.28Å; T447-P449 PolarHBondContact OG1-O 3.19Å
450	S	87.6	Confident	92.8	Very high	92 Å²	92	44.7 Å²	44.7	64%	0.643	25%	0.249	S	C	*	.			trans	-73.1	130	172.9	-55.3	0	0	0	0	108.8	T447	T447-S450 PolarHBondContact O-N 2.72Å; T447-S450 PolarHBondContact O-OG 2.86Å
451	V	91.6	Very high	92.7	Very high	16 Å²	16	43.5 Å²	43.5	10%	0.097	24%	0.244	C	C	.	.			trans	-132.7	158.9	179.8	-72.7	0	0	0	0	108.9	L348 P349 F351 C444 P445	L348-V451 HydrophobicContact CB-CG1 4.41Å; L348-V451 HydrophobicContact CD2-CG1 3.92Å; P349-V451 HydrophobicContact CG-CB 4.41Å; P349-V451 HydrophobicContact CG-CG1 3.64Å; P349-V451 HydrophobicContact CG-CG2 3.85Å; F351-V451 HydrophobicContact CD1-CG2 3.91Å; F351-V451 HydrophobicContact CE1-CG2 3.61Å; C444-V451 PolarHBondContact SG-O 3.34Å; P445-V451 WeakPolarHBondContact CD-O 3.35Å; P445-V451 HydrophobicContact CG-CG2 4.35Å
452	C	93.2	Very high	92.7	Very high	59 Å²	59	43.5 Å²	43.5	40%	0.399	24%	0.244	S	C	.	.			trans	-131.3	140.6	174.7	180	0	0	0	0	109.3	W378 Y442 V443	W378-C452 HydrophobicContact CH2-CB 4.46Å; Y442-C452 VanDerWaalsContact CB-SG 3.57Å; V443-C452 PolarHBondContact N-SG 2.83Å; V443-C452 VanDerWaalsContact O-CA 3.27Å; V443-C452 WeakPolarHBondContact O-CA 3.47Å; V443-C452 PolarHBondContact O-SG 2.97Å
453	Q	94.5	Very high	92.5	Very high	37 Å²	37	40.2 Å²	40.2	17%	0.173	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.9	168.2	-72.2	-177.6	25.8	0	0	109.3	F351 I353 V443	F351-Q453 HydrophobicContact CD1-CG 4.47Å; F351-Q453 VanDerWaalsContact CD1-NE2 3.31Å; F351-Q453 HydrophobicContact CE1-CB 4.44Å; F351-Q453 HydrophobicContact CE1-CG 3.65Å; F351-Q453 VanDerWaalsContact CE1-NE2 3.33Å; F351-Q453 HydrophobicContact CE2-CB 4.47Å; F351-Q453 HydrophobicContact CE2-CG 4.23Å; F351-Q453 HydrophobicContact CZ-CB 3.85Å; F351-Q453 HydrophobicContact CZ-CG 3.52Å; F351-Q453 PolarHBondContact O-NE2 3.32Å; I353-Q453 HydrophobicContact CD1-CB 4.07Å; V443-Q453 PolarHBondContact N-O 2.78Å; V443-Q453 PolarHBondContact O-N 2.91Å
454	L	95.5	Very high	92.4	Very high	84 Å²	84	40.3 Å²	40.3	44%	0.44	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	128.7	172.7	172.7	60.2	0	0	0	109.3	E440 L441 Y442	E440-L454 HydrophobicContact CB-CD1 3.82Å; E440-L454 HydrophobicContact CG-CD1 4.11Å; L441-L454 CarbonylContact O-C 3.55Å; L441-L454 WeakPolarHBondContact O-CA 3.47Å; Y442-L454 HydrophobicContact CD1-CB 4.29Å; Y442-L454 HydrophobicContact CD1-CD1 4.16Å; Y442-L454 HydrophobicContact CD2-CD1 4.01Å; Y442-L454 HydrophobicContact CE1-CB 4.19Å; Y442-L454 HydrophobicContact CE1-CD1 3.91Å; Y442-L454 HydrophobicContact CE1-CD2 4.31Å; Y442-L454 HydrophobicContact CE1-CG 4.37Å; Y442-L454 HydrophobicContact CE2-CD1 3.76Å; Y442-L454 HydrophobicContact CG-CD1 4.22Å
455	R	95.8	Very high	92.4	Very high	65 Å²	65	40 Å²	40	25%	0.245	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.3	167.9	-61.4	-60.7	174.9	156.4	-9.2	109	I353 E355 E440 L441 Y457	I353-R455 HydrophobicContact CD1-CG 4.3Å; E355-R455 IonicContact OE1-CZ 3.26Å; E355-R455 IonicContact OE1-NE 3.07Å; E355-R455 IonicContact OE1-NH1 2.7Å; E355-R455 PolarHBondContact OE1-NH1 3.37Å; E355-R455 WeakPolarHBondContact OE2-CD 3.49Å; E355-R455 WeakPolarHBondContact OE2-CG 3.36Å; E355-R455 IonicContact OE2-NE 3.51Å; E355-R455 IonicContact OE2-NH1 3.88Å; E440-R455 CarbonylContact C-O 3.6Å; E440-R455 WeakPolarHBondContact CA-O 3.34Å; L441-R455 PolarHBondContact N-O 3.05Å; L441-R455 PolarHBondContact O-N 2.69Å; R455-Y457 HydrophobicContact CB-CE2 3.93Å
456	A	94.8	Very high	92.4	Very high	57 Å²	57	41.8 Å²	41.8	47%	0.471	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.9	-177.5	0	0	0	0	0	109.3	L439 E440	L439-A456 CarbonylContact O-C 3.56Å; L439-A456 WeakPolarHBondContact O-CA 3.42Å; E440-A456 HydrophobicContact CG-CB 4.27Å
457	Y	94.1	Very high	92.5	Very high	21 Å²	21	38.6 Å²	38.6	8%	0.082	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.9	179.4	-50.5	-82.5	0	0	0	109.8	E355 L357 L368 L439 L441 R455 I459	E355-Y457 PolarHBondContact OE2-OH 2.56Å; L357-Y457 HydrophobicContact CB-CD1 4.26Å; L357-Y457 HydrophobicContact CD2-CD1 3.98Å; L357-Y457 HydrophobicContact CD2-CG 4Å; L368-Y457 HydrophobicContact CD1-CD1 4.47Å; L368-Y457 HydrophobicContact CD1-CD2 4.46Å; L368-Y457 HydrophobicContact CD1-CE1 3.88Å; L368-Y457 HydrophobicContact CD1-CE2 3.85Å; L368-Y457 HydrophobicContact CD2-CD2 4.26Å; L368-Y457 HydrophobicContact CD2-CE2 3.74Å; L368-Y457 HydrophobicContact CG-CE2 4.5Å; L439-Y457 PolarHBondContact N-O 3.08Å; L439-Y457 PolarHBondContact O-N 2.92Å; L441-Y457 HydrophobicContact CD1-CD2 4.12Å; L441-Y457 HydrophobicContact CD1-CE2 3.99Å; R455-Y457 HydrophobicContact CB-CE2 3.93Å; Y457-I459 PolarHBondContact O-N 2.97Å
458	P	93.4	Very high	92.8	Very high	73 Å²	73	37.2 Å²	37.2	47%	0.474	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	117.4	178.7	29.3	-32.8	0	0	0	110.8	K460	P458-K460 PolarHBondContact O-N 2.96Å
459	I	94.4	Very high	93	Very high	15 Å²	15	37.1 Å²	37.1	8%	0.077	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	114	167.1	-62.7	173.2	0	0	0	107.7	V385 I387 T431 Y436 G437 L439 Y457	V385-I459 HydrophobicContact CB-CD1 4.27Å; I387-I459 HydrophobicContact CG2-CD1 3.71Å; T431-I459 HydrophobicContact CG2-CD1 4.19Å; T431-I459 HydrophobicContact CG2-CG1 4.41Å; T431-I459 HydrophobicContact CG2-CG2 3.77Å; Y436-I459 VanDerWaalsContact CA-O 3.23Å; Y436-I459 WeakPolarHBondContact CA-O 3.45Å; Y436-I459 VanDerWaalsContact CB-O 3.23Å; Y436-I459 WeakPolarHBondContact CB-O 3.28Å; G437-I459 PolarHBondContact N-O 3.36Å; G437-I459 VanDerWaalsContact N-O 3.13Å; G437-I459 WeakPolarHBondContact O-CB 3.28Å; G437-I459 PolarHBondContact O-N 2.97Å; L439-I459 HydrophobicContact CB-CD1 4.14Å; L439-I459 HydrophobicContact CB-CG1 4.34Å; Y457-I459 PolarHBondContact O-N 2.97Å
460	K	94.8	Very high	93	Very high	46 Å²	46	37 Å²	37	20%	0.2	21%	0.213	C	C	.	.			trans	-74.6	154.4	-179.4	-56	-68.2	179.9	167.7	0	111.5	P458 L462 S463 T496 F497 P500	P458-K460 PolarHBondContact O-N 2.96Å; K460-L462 VanDerWaalsContact C-N 3.31Å; K460-L462 PolarHBondContact O-N 3.24Å; K460-S463 WeakPolarHBondContact O-CB 3.44Å; K460-S463 PolarHBondContact O-N 3.33Å; K460-S463 VanDerWaalsContact O-N 3.16Å; K460-S463 PolarHBondContact O-OG 3.4Å; K460-T496 PolarHBondContact NZ-O 2.91Å; K460-F497 VanDerWaalsContact CD-O 3.28Å; K460-F497 WeakPolarHBondContact CD-O 3.36Å; K460-P500 HydrophobicContact CG-CB 4.38Å
461	A	94.3	Very high	93.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-39.7	-179.6	0	0	0	0	0	112.7	E433 G434 Y436 C498 I546 V550	E433-A461 WeakPolarHBondContact CA-O 3.4Å; G434-A461 PolarHBondContact N-O 3.43Å; Y436-A461 HydrophobicContact CD1-CB 4.21Å; Y436-A461 HydrophobicContact CG-CB 4.25Å; A461-C498 PolarHBondContact N-O 3.07Å; A461-I546 HydrophobicContact CB-CG2 4.24Å; A461-V550 HydrophobicContact CB-CG1 4.27Å; A461-V550 HydrophobicContact CB-CG2 3.7Å
462	L	94.7	Very high	93.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	55.1	172	-66.9	-176.2	0	0	0	109.9	K460 L464 H465 C498 L499 P500 L525 T543 I546 L547	K460-L462 VanDerWaalsContact C-N 3.31Å; K460-L462 PolarHBondContact O-N 3.24Å; L462-L464 PolarHBondContact O-N 3.25Å; L462-L464 VanDerWaalsContact O-N 3.12Å; L462-H465 HydrophobicContact CB-CB 4.38Å; L462-H465 PolarHBondContact O-N 3.27Å; L462-H465 VanDerWaalsContact O-N 3.15Å; L462-C498 PolarHBondContact N-O 2.97Å; L462-L499 HydrophobicContact CB-CD2 3.66Å; L462-L499 HydrophobicContact CB-CG 4.4Å; L462-L499 HydrophobicContact CD1-CD2 3.77Å; L462-L499 HydrophobicContact CD1-CG 4.29Å; L462-L499 HydrophobicContact CG-CD2 4.37Å; L462-P500 WeakPolarHBondContact O-CD 3.27Å; L462-L525 HydrophobicContact CD1-CD2 3.76Å; L462-T543 HydrophobicContact CD1-CG2 3.72Å; L462-T543 HydrophobicContact CD2-CG2 4.15Å; L462-I546 HydrophobicContact CD2-CB 4.05Å; L462-I546 HydrophobicContact CD2-CD1 4.1Å; L462-I546 HydrophobicContact CD2-CG2 3.66Å; L462-I546 HydrophobicContact CG-CG2 4.22Å; L462-L547 HydrophobicContact CD1-CD1 4.19Å; L462-L547 HydrophobicContact CD1-CD2 3.67Å; L462-L547 HydrophobicContact CD1-CG 3.78Å; L462-L547 HydrophobicContact CG-CD2 4.5Å
463	S	93.5	Very high	93.2	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.014	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-10.8	-175.4	51.3	0	0	0	0	114.8	H366 T431 K460	H366-S463 PolarHBondContact CE1-O 2.93Å; H366-S463 PolarHBondContact NE2-O 3.22Å; H366-S463 VanDerWaalsContact NE2-O 3.16Å; T431-S463 WeakPolarHBondContact CB-OG 3.46Å; T431-S463 PolarHBondContact OG1-OG 3.4Å; K460-S463 WeakPolarHBondContact O-CB 3.44Å; K460-S463 PolarHBondContact O-N 3.33Å; K460-S463 VanDerWaalsContact O-N 3.16Å; K460-S463 PolarHBondContact O-OG 3.4Å
464	L	93.5	Very high	93.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	7.5	176.7	-52.8	174.2	0	0	0	113.4	L359 E433 L462 S518 C519 F520	L359-L464 HydrophobicContact CD1-CD2 4.15Å; E433-L464 HydrophobicContact CG-CB 4.11Å; E433-L464 HydrophobicContact CG-CD1 3.72Å; E433-L464 HydrophobicContact CG-CG 3.86Å; E433-L464 WeakPolarHBondContact OE1-CB 3.35Å; E433-L464 PolarHBondContact OE1-N 3.08Å; L462-L464 PolarHBondContact O-N 3.25Å; L462-L464 VanDerWaalsContact O-N 3.12Å; L464-S518 WeakPolarHBondContact O-CA 3.36Å; L464-C519 PolarHBondContact O-N 3.35Å; L464-F520 HydrophobicContact CD1-CB 4.1Å
465	H	94.2	Very high	93	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	137.2	172.5	-72.5	66.7	0	0	0	109.3	E433 L462 L499 P500 F516 V517 T543	E433-H465 IonicContact OE1-CE1 3.92Å; E433-H465 PolarHBondContact OE1-CE1 2.96Å; E433-H465 IonicContact OE1-CG 3.07Å; E433-H465 IonicContact OE1-ND1 2.82Å; E433-H465 PolarHBondContact OE1-ND1 3.39Å; E433-H465 IonicContact OE2-CE1 3.63Å; E433-H465 PolarHBondContact OE2-CE1 3.02Å; E433-H465 VanDerWaalsContact OE2-CE1 3.25Å; E433-H465 IonicContact OE2-ND1 3.93Å; L462-H465 HydrophobicContact CB-CB 4.38Å; L462-H465 PolarHBondContact O-N 3.27Å; L462-H465 VanDerWaalsContact O-N 3.15Å; H465-L499 HydrophobicContact CB-CD2 3.71Å; H465-P500 WeakPolarHBondContact O-CG 3.43Å; H465-F516 HydrophobicContact CB-CB 4.23Å; H465-F516 HydrophobicContact CB-CD1 4.38Å; H465-V517 CarbonylContact C-O 3.49Å; H465-V517 WeakPolarHBondContact CA-O 3.13Å; H465-T543 WeakPolarHBondContact NE2-CG2 3.37Å
466	R	92.8	Very high	92.9	Very high	36 Å²	36	40.8 Å²	40.8	14%	0.136	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.6	171	-179.6	-174.2	58.3	84.6	-12.5	109.1	H122 E137 D361 F516 V517	H122-R466 WeakPolarHBondContact CE1-CD 3.45Å; H122-R466 PolarHBondContact CE1-NE 2.97Å; H122-R466 PolarHBondContact ND1-NE 3.49Å; H122-R466 WeakPolarHBondContact NE2-CD 3.42Å; E137-R466 IonicContact OE1-CZ 2.91Å; E137-R466 IonicContact OE1-NH1 3.72Å; E137-R466 PolarHBondContact OE1-NH1 3.47Å; E137-R466 VanDerWaalsContact OE1-NH1 3.1Å; E137-R466 IonicContact OE1-NH2 3.73Å; E137-R466 PolarHBondContact OE1-NH2 3.4Å; D361-R466 IonicContact OD1-NE 3.95Å; D361-R466 WeakPolarHBondContact OD2-CD 3.33Å; D361-R466 IonicContact OD2-CZ 2.71Å; D361-R466 IonicContact OD2-NE 3.64Å; D361-R466 PolarHBondContact OD2-NE 2.87Å; D361-R466 IonicContact OD2-NH2 2.69Å; R466-F516 CarbonylContact O-C 3.6Å; R466-F516 WeakPolarHBondContact O-CA 3.24Å; R466-V517 PolarHBondContact N-O 2.83Å; R466-V517 PolarHBondContact O-N 2.84Å
467	R	92.7	Very high	92.8	Very high	39 Å²	39	40.3 Å²	40.3	15%	0.147	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	138.4	173.6	-170.2	161.1	172.4	-167.5	8.2	111.5	G92 D93 N121 C515 F516	G92-R467 VanDerWaalsContact C-NH1 3.3Å; G92-R467 PolarHBondContact O-NH1 3.28Å; D93-R467 WeakPolarHBondContact OD1-CD 3.29Å; D93-R467 IonicContact OD1-CZ 2.72Å; D93-R467 IonicContact OD1-NE 3.86Å; D93-R467 PolarHBondContact OD1-NE 3.43Å; D93-R467 VanDerWaalsContact OD1-NE 3.15Å; D93-R467 IonicContact OD1-NH1 3.87Å; D93-R467 PolarHBondContact OD1-NH1 3.44Å; D93-R467 IonicContact OD2-CZ 2.76Å; D93-R467 IonicContact OD2-NE 3.58Å; D93-R467 IonicContact OD2-NH1 3.93Å; D93-R467 IonicContact OD2-NH2 3.63Å; N121-R467 HydrophobicContact CB-CB 4.16Å; N121-R467 HydrophobicContact CB-CG 4.2Å; R467-C515 WeakPolarHBondContact CA-O 3.32Å; R467-F516 HydrophobicContact CB-CD1 4.16Å; R467-F516 HydrophobicContact CB-CE1 3.98Å; R467-F516 HydrophobicContact CG-CE1 4.46Å
468	T	92.6	Very high	92.7	Very high	12 Å²	12	39.3 Å²	39.3	7%	0.074	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	162.4	-178.6	178.2	0	0	0	0	110	E137 A470 C515 V517	E137-T468 PolarHBondContact OE1-OG1 2.86Å; E137-T468 VanDerWaalsContact OE1-OG1 3.08Å; E137-T468 PolarHBondContact OE2-OG1 3.46Å; T468-A470 WeakPolarHBondContact CG2-O 3.24Å; T468-A470 PolarHBondContact OG1-N 3.25Å; T468-C515 HydrophobicContact CG2-CB 4.27Å; T468-C515 PolarHBondContact N-O 3.31Å; T468-C515 WeakPolarHBondContact O-CB 3.12Å; T468-V517 HydrophobicContact CG2-CB 4.14Å; T468-V517 HydrophobicContact CG2-CG1 4.23Å
469	L	89.3	Confident	92.8	Very high	69 Å²	69	39.9 Å²	39.9	36%	0.361	21%	0.206	S	C	.	.	S	Bend	trans	-87	-25.3	175.6	-59.5	176.8	0	0	0	112.3	E135 E137	E135-L469 HydrophobicContact CG-CD1 3.58Å; E135-L469 HydrophobicContact CG-CD2 4.49Å; E135-L469 WeakPolarHBondContact OE1-CD2 3.47Å; E137-L469 HydrophobicContact CB-CD1 4.22Å; E137-L469 PolarHBondContact OE2-N 2.8Å
470	A	85.5	Confident	92.8	Very high	52 Å²	52	39.3 Å²	39.3	43%	0.43	20%	0.203	S	C	.	.			trans	-90.7	132	-174.4	0	0	0	0	0	112.1	T468	T468-A470 WeakPolarHBondContact CG2-O 3.24Å; T468-A470 PolarHBondContact OG1-N 3.25Å
471	F	92.2	Very high	92.8	Very high	39 Å²	39	37.6 Å²	37.6	17%	0.171	20%	0.197	C	C	.	.			trans	-135	122.1	165.2	-175.2	-107	0	0	0	109	E473 Q477 C515 Q524 Q526 L537	F471-E473 HydrophobicContact CD1-CG 4.12Å; F471-E473 HydrophobicContact CE1-CG 4.35Å; F471-E473 PolarHBondContact O-N 2.88Å; F471-Q477 HydrophobicContact CZ-CG 4.39Å; F471-C515 HydrophobicContact CB-CB 4.22Å; F471-Q524 HydrophobicContact CD2-CB 3.96Å; F471-Q524 HydrophobicContact CE2-CB 4.03Å; F471-Q526 HydrophobicContact CD1-CB 4.19Å; F471-Q526 HydrophobicContact CD2-CB 3.8Å; F471-Q526 HydrophobicContact CE1-CB 3.94Å; F471-Q526 HydrophobicContact CE2-CB 3.56Å; F471-Q526 HydrophobicContact CG-CB 4.1Å; F471-Q526 HydrophobicContact CZ-CB 3.61Å; F471-L537 HydrophobicContact CZ-CB 4.03Å
472	D	93.1	Very high	92.9	Very high	59 Å²	59	37.7 Å²	37.7	32%	0.316	20%	0.197	S	C	.	.			trans	-93.7	97.8	-175.2	-179.3	3.3	0	0	0	109.7	S474 R475	D472-S474 PolarHBondContact O-N 2.78Å; D472-S474 VanDerWaalsContact O-N 3.17Å; D472-S474 VanDerWaalsContact OD1-CB 3.29Å; D472-S474 WeakPolarHBondContact OD1-CB 3.43Å; D472-S474 PolarHBondContact OD1-N 2.58Å; D472-S474 PolarHBondContact OD1-OG 2.91Å; D472-S474 PolarHBondContact OD2-OG 3.35Å; D472-R475 HydrophobicContact CB-CG 3.92Å; D472-R475 PolarHBondContact O-N 3.15Å; D472-R475 WeakPolarHBondContact OD2-CG 3.28Å; D472-R475 IonicContact OD2-NE 3.79Å; D472-R475 PolarHBondContact OD2-NE 3.38Å
473	E	91.1	Very high	92.9	Very high	159 Å²	159	42.7 Å²	42.7	74%	0.743	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.9	177.9	-65.1	-172.9	175.4	0	0	113.5	F471 R475	F471-E473 HydrophobicContact CD1-CG 4.12Å; F471-E473 HydrophobicContact CE1-CG 4.35Å; F471-E473 PolarHBondContact O-N 2.88Å; E473-R475 VanDerWaalsContact C-N 3.3Å
474	S	92.8	Very high	92.8	Very high	104 Å²	104	43.3 Å²	43.3	73%	0.727	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-15.9	178.4	78.2	0	0	0	0	113.4	D472	D472-S474 PolarHBondContact O-N 2.78Å; D472-S474 VanDerWaalsContact O-N 3.17Å; D472-S474 VanDerWaalsContact OD1-CB 3.29Å; D472-S474 WeakPolarHBondContact OD1-CB 3.43Å; D472-S474 PolarHBondContact OD1-N 2.58Å; D472-S474 PolarHBondContact OD1-OG 2.91Å; D472-S474 PolarHBondContact OD2-OG 3.35Å
475	R	93.6	Very high	92.7	Very high	50 Å²	50	52.6 Å²	52.6	19%	0.189	27%	0.266	C	S	.	.	S	Bend	trans	-70.5	149.8	177.9	-62.6	-177.8	178.6	-159.7	3.3	111.1	D472 E473 Q477 G522 D539 F575	D472-R475 HydrophobicContact CB-CG 3.92Å; D472-R475 PolarHBondContact O-N 3.15Å; D472-R475 WeakPolarHBondContact OD2-CG 3.28Å; D472-R475 IonicContact OD2-NE 3.79Å; D472-R475 PolarHBondContact OD2-NE 3.38Å; E473-R475 VanDerWaalsContact C-N 3.3Å; R475-Q477 WeakPolarHBondContact O-CG 3.46Å; R475-Q477 PolarHBondContact O-N 3.11Å; R475-G522 PolarHBondContact NH1-O 3.44Å; R475-D539 WeakPolarHBondContact CD-OD2 3.3Å; R475-D539 IonicContact NH1-OD2 2.84Å; R475-D539 PolarHBondContact NH1-OD2 3.12Å; R475-F575 HydrophobicContact CB-CE1 4.39Å; R475-F575 HydrophobicContact CB-CZ 4.17Å; R475-F575 HydrophobicContact CG-CE1 4.23Å; R475-F575 HydrophobicContact CG-CE2 4.26Å; R475-F575 HydrophobicContact CG-CZ 3.65Å
476	P	93.1	Very high	92.6	Very high	22 Å²	22	53 Å²	53	14%	0.143	27%	0.268	C	S	.	.			trans	-68.9	124.1	174.3	31.6	-35.8	0	0	0	109.6	D539 T572 F575	P476-D539 WeakPolarHBondContact O-CA 3.21Å; P476-D539 WeakPolarHBondContact O-CB 3.43Å; P476-T572 HydrophobicContact CB-CG2 4.04Å; P476-T572 HydrophobicContact CG-CG2 4.34Å; P476-T572 VanDerWaalsContact O-CG2 3.23Å; P476-T572 WeakPolarHBondContact O-CG2 3.41Å; P476-F575 HydrophobicContact CG-CB 3.59Å; P476-F575 HydrophobicContact CG-CD1 4.16Å; P476-F575 HydrophobicContact CG-CD2 4.15Å; P476-F575 HydrophobicContact CG-CG 3.7Å
477	Q	92.6	Very high	92.5	Very high	47 Å²	47	52.1 Å²	52.1	22%	0.22	27%	0.27	C	S	.	.			trans	-113.3	139.7	-173.9	-67.8	170.8	7.8	0	0	112.2	F471 R475 N569	F471-Q477 HydrophobicContact CZ-CG 4.39Å; R475-Q477 WeakPolarHBondContact O-CG 3.46Å; R475-Q477 PolarHBondContact O-N 3.11Å; Q477-N569 VanDerWaalsContact O-CB 3.27Å; Q477-N569 WeakPolarHBondContact O-CB 3.37Å
478	N	92.4	Very high	92.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	135.5	162.1	-57.3	-64.2	0	0	0	108.5	L537 S538 I544 D567 V568 N569 T572	N478-L537 CarbonylContact O-C 3.53Å; N478-L537 WeakPolarHBondContact O-CA 3.37Å; N478-S538 WeakPolarHBondContact CB-O 3.29Å; N478-S538 PolarHBondContact N-O 2.92Å; N478-S538 PolarHBondContact ND2-O 3.31Å; N478-S538 PolarHBondContact O-N 3.09Å; N478-I544 HydrophobicContact CB-CG1 3.97Å; N478-D567 CarbonylContact C-O 3.52Å; N478-D567 WeakPolarHBondContact CA-O 3.46Å; N478-V568 VanDerWaalsContact OD1-CA 3.32Å; N478-V568 WeakPolarHBondContact OD1-CA 3.27Å; N478-V568 VanDerWaalsContact OD1-CG1 3.31Å; N478-V568 WeakPolarHBondContact OD1-CG1 3.5Å; N478-N569 PolarHBondContact OD1-N 3.47Å; N478-T572 WeakPolarHBondContact ND2-CG2 3.27Å; N478-T572 PolarHBondContact ND2-OG1 2.72Å
479	K	94.7	Very high	92.4	Very high	86 Å²	86	56.8 Å²	56.8	37%	0.374	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.7	179.5	178.3	175.1	-178.9	175.2	0	110.8	S481 I535 A536 L537 Y566 D567	K479-S481 WeakPolarHBondContact CE-OG 3.4Å; K479-I535 HydrophobicContact CG-CG2 4.35Å; K479-A536 WeakPolarHBondContact CA-O 2.87Å; K479-L537 HydrophobicContact CB-CD2 3.53Å; K479-L537 HydrophobicContact CD-CD2 3.93Å; K479-L537 HydrophobicContact CG-CD2 3.57Å; K479-Y566 CarbonylContact O-C 3.56Å; K479-Y566 WeakPolarHBondContact O-CA 3.47Å; K479-D567 HydrophobicContact CB-CB 4.22Å; K479-D567 PolarHBondContact N-O 3.49Å; K479-D567 PolarHBondContact O-N 3.04Å
480	L	94.8	Very high	92.5	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.1	167.1	176	65.5	0	0	0	108.2	I482 I535 A536 I544 L547 Q548 I564	L480-I482 HydrophobicContact CD1-CG1 4.21Å; L480-I482 HydrophobicContact CD2-CD1 4.06Å; L480-I482 HydrophobicContact CD2-CG1 4.46Å; L480-I482 HydrophobicContact CG-CD1 4.22Å; L480-I482 HydrophobicContact CG-CG1 4.07Å; L480-I535 WeakPolarHBondContact O-CA 3.48Å; L480-A536 HydrophobicContact CB-CB 4.27Å; L480-A536 PolarHBondContact N-O 3.37Å; L480-A536 PolarHBondContact O-N 2.91Å; L480-I544 HydrophobicContact CB-CD1 4.13Å; L480-I544 HydrophobicContact CB-CG2 3.8Å; L480-I544 HydrophobicContact CD2-CG2 4.27Å; L480-I544 HydrophobicContact CG-CG2 4.45Å; L480-L547 HydrophobicContact CD2-CB 4.03Å; L480-Q548 HydrophobicContact CD1-CB 4.28Å; L480-Q548 HydrophobicContact CD2-CB 4.12Å; L480-I564 HydrophobicContact CD1-CG2 3.71Å
481	S	96	Very high	92.9	Very high	11 Å²	11	54.7 Å²	54.7	8%	0.077	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	116.9	176.3	-61.6	0	0	0	0	109.6	K479 S565	K479-S481 WeakPolarHBondContact CE-OG 3.4Å; S481-S565 WeakPolarHBondContact CB-OG 3.4Å; S481-S565 PolarHBondContact N-O 2.82Å; S481-S565 PolarHBondContact O-N 3.36Å; S481-S565 PolarHBondContact O-OG 3.04Å; S481-S565 VanDerWaalsContact O-OG 3.06Å
482	I	94.9	Very high	93	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.9	-177.3	-58.4	176.8	0	0	0	107.8	L480 E533 I534 I551 L562 D563 I564	L480-I482 HydrophobicContact CD1-CG1 4.21Å; L480-I482 HydrophobicContact CD2-CD1 4.06Å; L480-I482 HydrophobicContact CD2-CG1 4.46Å; L480-I482 HydrophobicContact CG-CD1 4.22Å; L480-I482 HydrophobicContact CG-CG1 4.07Å; I482-E533 CarbonylContact O-C 3.59Å; I482-E533 WeakPolarHBondContact O-CA 3.46Å; I482-I534 HydrophobicContact CB-CB 4.32Å; I482-I534 PolarHBondContact N-O 2.76Å; I482-I534 PolarHBondContact O-N 2.79Å; I482-I551 HydrophobicContact CD1-CB 3.99Å; I482-I551 HydrophobicContact CD1-CD1 3.63Å; I482-I551 HydrophobicContact CD1-CG1 4.41Å; I482-I551 HydrophobicContact CD1-CG2 3.61Å; I482-I551 HydrophobicContact CG2-CG2 4.49Å; I482-L562 HydrophobicContact CG2-CB 4.24Å; I482-L562 HydrophobicContact CG2-CD1 3.85Å; I482-L562 HydrophobicContact CG2-CD2 3.98Å; I482-L562 HydrophobicContact CG2-CG 4.25Å; I482-D563 WeakPolarHBondContact CA-O 3.43Å; I482-I564 HydrophobicContact CG1-CG1 4.31Å; I482-I564 HydrophobicContact CG1-CG2 4.34Å; I482-I564 HydrophobicContact CG2-CG1 4.4Å
483	K	95	Very high	92.9	Very high	105 Å²	105	53.2 Å²	53.2	46%	0.457	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	142.4	176.4	-68.9	178.1	177.1	177.9	0	110.2	N532 E533 L562 D563	K483-N532 WeakPolarHBondContact CA-O 3.35Å; K483-E533 WeakPolarHBondContact CE-OE1 3.29Å; K483-E533 HydrophobicContact CG-CG 4.19Å; K483-E533 IonicContact NZ-OE1 3.97Å; K483-L562 CarbonylContact O-C 3.59Å; K483-L562 WeakPolarHBondContact O-CA 3.19Å; K483-D563 HydrophobicContact CB-CB 4.32Å; K483-D563 PolarHBondContact N-O 3.46Å; K483-D563 PolarHBondContact O-N 3.26Å
484	G	91.8	Very high	93	Very high	15 Å²	15	45.7 Å²	45.7	16%	0.155	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	-178.5	-179.4	0	0	0	0	0	112.1	F486 N532	G484-F486 PolarHBondContact O-N 3.13Å; G484-N532 PolarHBondContact N-O 2.77Å; G484-N532 WeakPolarHBondContact O-CA 3.25Å; G484-N532 WeakPolarHBondContact O-CB 3.32Å; G484-N532 PolarHBondContact O-OD1 2.89Å; G484-N532 VanDerWaalsContact O-OD1 3.12Å
485	K	91.5	Very high	93.1	Very high	197 Å²	197	40.8 Å²	40.8	86%	0.857	20%	0.196	S	C	*	.	S	Bend	trans	-99.1	74.2	174.7	-66	-175.7	178.7	-175.9	0	109.7
486	F	91.5	Very high	93	Very high	7 Å²	7	39.6 Å²	39.6	3%	0.031	19%	0.194	C	C	.	.			trans	-137.6	147	178.8	51.7	-104.6	0	0	0	109.7	G484 E490 A491 N532 I534 W560 L562	G484-F486 PolarHBondContact O-N 3.13Å; F486-E490 HydrophobicContact CB-CB 4.5Å; F486-A491 HydrophobicContact CD2-CB 3.7Å; F486-A491 HydrophobicContact CE2-CB 3.63Å; F486-N532 PolarHBondContact N-OD1 3.03Å; F486-N532 PolarHBondContact O-N 3.18Å; F486-N532 VanDerWaalsContact O-N 3.1Å; F486-N532 PolarHBondContact O-OD1 2.84Å; F486-I534 HydrophobicContact CE2-CD1 4.22Å; F486-I534 HydrophobicContact CE2-CG1 3.99Å; F486-I534 HydrophobicContact CZ-CD1 4.11Å; F486-I534 HydrophobicContact CZ-CG1 3.99Å; F486-W560 HydrophobicContact CB-CD2 4.19Å; F486-W560 HydrophobicContact CB-CE3 3.93Å; F486-W560 HydrophobicContact CB-CH2 3.75Å; F486-W560 HydrophobicContact CB-CZ2 4Å; F486-W560 HydrophobicContact CB-CZ3 3.66Å; F486-W560 HydrophobicContact CD1-CD2 4.48Å; F486-W560 AromaticContact CD1-CE3 3.72Å; F486-W560 HydrophobicContact CD1-CE3 3.72Å; F486-W560 AromaticContact CD1-CZ3 3.83Å; F486-W560 HydrophobicContact CD1-CZ3 3.83Å; F486-W560 HydrophobicContact CG-CE3 4.09Å; F486-W560 HydrophobicContact CG-CH2 4.33Å; F486-W560 AromaticContact CG-CZ3 3.8Å; F486-W560 HydrophobicContact CG-CZ3 3.8Å; F486-L562 HydrophobicContact CD1-CD2 4.05Å; F486-L562 HydrophobicContact CE1-CD2 3.7Å
487	G	91	Very high	93	Very high	18 Å²	18	41.8 Å²	41.8	19%	0.186	20%	0.201	C	C	.	.			trans	-73.8	171.3	174.9	0	0	0	0	0	112.3	F489 E490 A491	G487-F489 VanDerWaalsContact C-N 3.3Å; G487-F489 PolarHBondContact O-N 2.78Å; G487-E490 WeakPolarHBondContact CA-OE2 3.13Å; G487-E490 PolarHBondContact N-OE2 2.79Å; G487-E490 PolarHBondContact O-N 2.89Å; G487-A491 WeakPolarHBondContact O-CB 3.36Å; G487-A491 PolarHBondContact O-N 3.23Å
488	L	92.7	Very high	93.1	Very high	33 Å²	33	39.6 Å²	39.6	17%	0.173	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-39	177	179.1	64.6	0	0	0	111.6	A491 Y492 T509 I512 C529	L488-A491 PolarHBondContact O-N 3.12Å; L488-Y492 VanDerWaalsContact O-CB 3.3Å; L488-Y492 WeakPolarHBondContact O-CB 3.49Å; L488-Y492 PolarHBondContact O-N 2.79Å; L488-T509 WeakPolarHBondContact CD2-O 3.45Å; L488-I512 HydrophobicContact CD1-CD1 4.11Å; L488-I512 HydrophobicContact CD2-CD1 4.09Å; L488-I512 HydrophobicContact CG-CD1 4.12Å; L488-C529 HydrophobicContact CD1-CB 3.93Å; L488-C529 WeakPolarHBondContact CD1-O 3.45Å
489	F	91.4	Very high	93.1	Very high	117 Å²	117	39.7 Å²	39.7	51%	0.513	19%	0.191	S	C	.	.	H	α-helix	trans	-62.1	-47.3	178.2	-179	-90.3	0	0	0	111.1	G487 A491 Y492 D493 P506	G487-F489 VanDerWaalsContact C-N 3.3Å; G487-F489 PolarHBondContact O-N 2.78Å; F489-A491 VanDerWaalsContact C-N 3.33Å; F489-A491 PolarHBondContact O-N 2.87Å; F489-Y492 PolarHBondContact O-N 3.4Å; F489-D493 WeakPolarHBondContact O-CB 3.39Å; F489-D493 PolarHBondContact O-N 2.92Å; F489-P506 HydrophobicContact CD2-CG 3.66Å; F489-P506 HydrophobicContact CE2-CG 4.29Å
490	E	91.9	Very high	93	Very high	77 Å²	77	37.2 Å²	37.2	36%	0.36	18%	0.184	S	C	.	.	H	α-helix	trans	-71.9	-29.6	-178.9	-49.4	95.3	140.6	0	0	112.3	F486 G487 I494 W560	F486-E490 HydrophobicContact CB-CB 4.5Å; G487-E490 WeakPolarHBondContact CA-OE2 3.13Å; G487-E490 PolarHBondContact N-OE2 2.79Å; G487-E490 PolarHBondContact O-N 2.89Å; E490-I494 WeakPolarHBondContact O-CG1 3.38Å; E490-I494 PolarHBondContact O-N 2.76Å; E490-W560 HydrophobicContact CB-CH2 3.33Å; E490-W560 HydrophobicContact CB-CZ2 3.5Å; E490-W560 HydrophobicContact CG-CH2 4.39Å; E490-W560 HydrophobicContact CG-CZ2 4.09Å
491	A	93	Very high	92.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-50	169.2	0	0	0	0	0	111.3	F486 G487 L488 F489 I494 I495 C529 I534	F486-A491 HydrophobicContact CD2-CB 3.7Å; F486-A491 HydrophobicContact CE2-CB 3.63Å; G487-A491 WeakPolarHBondContact O-CB 3.36Å; G487-A491 PolarHBondContact O-N 3.23Å; L488-A491 PolarHBondContact O-N 3.12Å; F489-A491 VanDerWaalsContact C-N 3.33Å; F489-A491 PolarHBondContact O-N 2.87Å; A491-I494 PolarHBondContact O-N 3.26Å; A491-I495 WeakPolarHBondContact O-CG1 3.48Å; A491-I495 PolarHBondContact O-N 2.88Å; A491-C529 HydrophobicContact CB-CB 4.5Å; A491-I534 HydrophobicContact CB-CD1 4.04Å; A491-I534 HydrophobicContact CB-CG1 3.93Å
492	Y	93.3	Very high	92.1	Very high	5 Å²	5	39 Å²	39	2%	0.02	20%	0.2	C	C	.	.	H	α-helix	trans	-60.6	-44.8	179.1	-177.9	-92.3	0	0	0	111.8	L488 F489 I494 I495 T496 M502 A503 P506 I512	L488-Y492 VanDerWaalsContact O-CB 3.3Å; L488-Y492 WeakPolarHBondContact O-CB 3.49Å; L488-Y492 PolarHBondContact O-N 2.79Å; F489-Y492 PolarHBondContact O-N 3.4Å; Y492-I494 PolarHBondContact O-N 2.89Å; Y492-I495 CarbonylContact O-C 3.58Å; Y492-I495 WeakPolarHBondContact O-CA 3.36Å; Y492-I495 PolarHBondContact O-N 2.92Å; Y492-T496 VanDerWaalsContact CE1-OG1 3.32Å; Y492-T496 WeakPolarHBondContact CE1-OG1 3.42Å; Y492-T496 PolarHBondContact O-N 2.81Å; Y492-T496 PolarHBondContact O-OG1 2.81Å; Y492-T496 VanDerWaalsContact O-OG1 3.14Å; Y492-M502 HydrophobicContact CD2-CE 3.87Å; Y492-M502 HydrophobicContact CE2-CE 3.28Å; Y492-A503 WeakPolarHBondContact CE1-O 3.33Å; Y492-A503 PolarHBondContact OH-N 2.83Å; Y492-A503 VanDerWaalsContact OH-N 3.15Å; Y492-A503 PolarHBondContact OH-O 3.44Å; Y492-P506 HydrophobicContact CD1-CB 3.83Å; Y492-P506 HydrophobicContact CD1-CG 4.29Å; Y492-P506 HydrophobicContact CD2-CB 4.04Å; Y492-P506 HydrophobicContact CE1-CB 4.17Å; Y492-P506 HydrophobicContact CE2-CB 4.34Å; Y492-P506 HydrophobicContact CG-CB 3.77Å; Y492-I512 HydrophobicContact CD2-CD1 3.64Å; Y492-I512 HydrophobicContact CD2-CG2 4.18Å; Y492-I512 HydrophobicContact CE2-CD1 4.2Å; Y492-I512 HydrophobicContact CE2-CG2 4.1Å; Y492-I512 HydrophobicContact CG-CD1 4.32Å
493	D	92.2	Very high	91.6	Very high	62 Å²	62	39.3 Å²	39.3	33%	0.332	20%	0.202	S	C	.	.	H	α-helix	trans	-58.5	-42.4	178.1	176.2	61.7	0	0	0	112.8	F489 I495 T496 F497 R558	F489-D493 WeakPolarHBondContact O-CB 3.39Å; F489-D493 PolarHBondContact O-N 2.92Å; D493-I495 VanDerWaalsContact C-N 3.33Å; D493-I495 PolarHBondContact O-N 3.34Å; D493-T496 PolarHBondContact O-N 2.97Å; D493-F497 PolarHBondContact O-N 2.7Å; D493-R558 IonicContact OD2-CZ 3.24Å; D493-R558 IonicContact OD2-NH1 3.19Å; D493-R558 PolarHBondContact OD2-NH1 2.78Å; D493-R558 IonicContact OD2-NH2 3.23Å; D493-R558 PolarHBondContact OD2-NH2 2.8Å
494	I	93.5	Very high	90.8	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-37.7	174	-68.2	-172.7	0	0	0	111.5	E490 A491 Y492 F497 C498 I551 E554 W560	E490-I494 WeakPolarHBondContact O-CG1 3.38Å; E490-I494 PolarHBondContact O-N 2.76Å; A491-I494 PolarHBondContact O-N 3.26Å; Y492-I494 PolarHBondContact O-N 2.89Å; I494-F497 WeakPolarHBondContact O-CB 3.45Å; I494-F497 PolarHBondContact O-N 2.9Å; I494-C498 PolarHBondContact O-N 2.98Å; I494-C498 PolarHBondContact O-SG 2.86Å; I494-I551 HydrophobicContact CG2-CB 4.28Å; I494-I551 HydrophobicContact CG2-CG1 3.79Å; I494-I551 HydrophobicContact CG2-CG2 4.19Å; I494-E554 HydrophobicContact CD1-CB 4.27Å; I494-E554 HydrophobicContact CG2-CB 4.5Å; I494-W560 HydrophobicContact CD1-CE3 4.01Å; I494-W560 HydrophobicContact CD1-CH2 3.66Å; I494-W560 HydrophobicContact CD1-CZ3 3.24Å; I494-W560 HydrophobicContact CG1-CH2 4.32Å; I494-W560 HydrophobicContact CG1-CZ3 4.29Å
495	I	94	Very high	90.3	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-68.7	-42.2	176.9	-64.8	-50.3	0	0	0	111.4	A491 Y492 D493 F497 C498 L499 M502 I527 C529 I534 I551	A491-I495 WeakPolarHBondContact O-CG1 3.48Å; A491-I495 PolarHBondContact O-N 2.88Å; Y492-I495 CarbonylContact O-C 3.58Å; Y492-I495 WeakPolarHBondContact O-CA 3.36Å; Y492-I495 PolarHBondContact O-N 2.92Å; D493-I495 VanDerWaalsContact C-N 3.33Å; D493-I495 PolarHBondContact O-N 3.34Å; I495-F497 PolarHBondContact O-N 2.89Å; I495-C498 WeakPolarHBondContact O-CA 3.32Å; I495-C498 WeakPolarHBondContact O-CB 3.44Å; I495-C498 PolarHBondContact O-N 3.45Å; I495-L499 HydrophobicContact CG2-CD1 4.02Å; I495-L499 PolarHBondContact O-N 2.81Å; I495-M502 HydrophobicContact CG2-CE 3.96Å; I495-I527 HydrophobicContact CD1-CD1 4.1Å; I495-I527 HydrophobicContact CD1-CG2 4.06Å; I495-I527 HydrophobicContact CG1-CG2 4Å; I495-I527 HydrophobicContact CG2-CD1 4.09Å; I495-I527 HydrophobicContact CG2-CG2 4.01Å; I495-C529 VanDerWaalsContact CG1-SG 3.59Å; I495-I534 HydrophobicContact CD1-CD1 4.42Å; I495-I534 HydrophobicContact CD1-CG2 3.91Å; I495-I534 HydrophobicContact CG1-CG2 4.41Å; I495-I551 HydrophobicContact CD1-CD1 4.02Å
496	T	92.2	Very high	89.8	Confident	24 Å²	24	41.6 Å²	41.6	15%	0.147	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-27.2	173.4	-61.3	0	0	0	0	112.1	K460 Y492 D493 M502	K460-T496 PolarHBondContact NZ-O 2.91Å; Y492-T496 VanDerWaalsContact CE1-OG1 3.32Å; Y492-T496 WeakPolarHBondContact CE1-OG1 3.42Å; Y492-T496 PolarHBondContact O-N 2.81Å; Y492-T496 PolarHBondContact O-OG1 2.81Å; Y492-T496 VanDerWaalsContact O-OG1 3.14Å; D493-T496 PolarHBondContact O-N 2.97Å; T496-M502 HydrophobicContact CG2-CB 4.08Å
497	F	92.3	Very high	89.3	Confident	69 Å²	69	43.7 Å²	43.7	30%	0.303	23%	0.231	S	C	.	.	H	α-helix	trans	-70.3	-35.2	169.6	-176.1	-96.8	0	0	0	112.8	Y436 K460 D493 I494 I495 V550 E554	Y436-F497 AromaticContact CD2-CE1 3.56Å; Y436-F497 HydrophobicContact CD2-CE1 3.56Å; Y436-F497 AromaticContact CD2-CZ 3.42Å; Y436-F497 HydrophobicContact CD2-CZ 3.42Å; Y436-F497 VanDerWaalsContact CD2-CZ 3.42Å; Y436-F497 AromaticContact CE2-CE1 3.66Å; Y436-F497 HydrophobicContact CE2-CE1 3.66Å; Y436-F497 AromaticContact CE2-CZ 3.48Å; Y436-F497 HydrophobicContact CE2-CZ 3.48Å; Y436-F497 VanDerWaalsContact CE2-CZ 3.48Å; Y436-F497 HydrophobicContact CG-CE1 4.4Å; K460-F497 VanDerWaalsContact CD-O 3.28Å; K460-F497 WeakPolarHBondContact CD-O 3.36Å; D493-F497 PolarHBondContact O-N 2.7Å; I494-F497 WeakPolarHBondContact O-CB 3.45Å; I494-F497 PolarHBondContact O-N 2.9Å; I495-F497 PolarHBondContact O-N 2.89Å; F497-V550 HydrophobicContact CD1-CG1 4.1Å; F497-V550 HydrophobicContact CE1-CG1 4.11Å; F497-E554 HydrophobicContact CD1-CG 3.93Å; F497-E554 HydrophobicContact CE1-CG 3.92Å
498	C	94.6	Very high	88.8	Confident	1 Å²	1	52 Å²	52	1%	0.007	27%	0.265	C	S	.	.	H	α-helix	trans	-81.2	-34	-176.7	-63	0	0	0	0	113.7	A461 L462 I494 I495 L547 V550	A461-C498 PolarHBondContact N-O 3.07Å; L462-C498 PolarHBondContact N-O 2.97Å; I494-C498 PolarHBondContact O-N 2.98Å; I494-C498 PolarHBondContact O-SG 2.86Å; I495-C498 WeakPolarHBondContact O-CA 3.32Å; I495-C498 WeakPolarHBondContact O-CB 3.44Å; I495-C498 PolarHBondContact O-N 3.45Å; C498-L547 HydrophobicContact CB-CD2 3.94Å; C498-V550 VanDerWaalsContact SG-CG1 3.51Å
499	L	93.9	Very high	88.5	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	28%	0.277	C	S	.	.	S	Bend	trans	-123.7	148.3	-168.6	-75.3	161.2	0	0	0	112.9	L462 H465 I495 M502 F516 L525 I527	L462-L499 HydrophobicContact CB-CD2 3.66Å; L462-L499 HydrophobicContact CB-CG 4.4Å; L462-L499 HydrophobicContact CD1-CD2 3.77Å; L462-L499 HydrophobicContact CD1-CG 4.29Å; L462-L499 HydrophobicContact CG-CD2 4.37Å; H465-L499 HydrophobicContact CB-CD2 3.71Å; I495-L499 HydrophobicContact CG2-CD1 4.02Å; I495-L499 PolarHBondContact O-N 2.81Å; L499-M502 HydrophobicContact CB-CG 4.48Å; L499-F516 HydrophobicContact CB-CE1 4.11Å; L499-F516 HydrophobicContact CB-CZ 4.12Å; L499-F516 HydrophobicContact CD1-CD2 4.02Å; L499-F516 HydrophobicContact CD1-CE1 4.27Å; L499-F516 HydrophobicContact CD1-CE2 3.63Å; L499-F516 HydrophobicContact CD1-CZ 3.77Å; L499-F516 HydrophobicContact CD2-CD1 4.04Å; L499-F516 HydrophobicContact CD2-CE1 4.19Å; L499-F516 HydrophobicContact CD2-CG 4.23Å; L499-F516 HydrophobicContact CD2-CZ 4.5Å; L499-F516 HydrophobicContact CG-CE1 4.44Å; L499-F516 HydrophobicContact CG-CZ 4.37Å; L499-L525 HydrophobicContact CD1-CD2 4.13Å; L499-L525 HydrophobicContact CD2-CD2 3.99Å; L499-I527 HydrophobicContact CD1-CD1 3.33Å; L499-I527 HydrophobicContact CD1-CG1 4.2Å
500	P	91.3	Very high	88.3	Confident	34 Å²	34	56.9 Å²	56.9	22%	0.221	29%	0.293	C	S	.	.	S	Bend	trans	-81.9	169.3	171.8	35.7	-35.7	0	0	0	112	K460 L462 H465 M502 F516	K460-P500 HydrophobicContact CG-CB 4.38Å; L462-P500 WeakPolarHBondContact O-CD 3.27Å; H465-P500 WeakPolarHBondContact O-CG 3.43Å; P500-M502 VanDerWaalsContact C-N 3.27Å; P500-M502 PolarHBondContact O-N 2.81Å; P500-F516 WeakPolarHBondContact O-CE1 3.42Å
501	G	85.4	Confident	88.3	Confident	30 Å²	30	57.1 Å²	57.1	31%	0.309	30%	0.295	S	S	.	.	S	Bend	trans	70.4	14.4	172.4	0	0	0	0	0	115.9
502	M	87.5	Confident	88.3	Confident	22 Å²	22	57.7 Å²	57.7	11%	0.108	30%	0.297	C	S	.	.			trans	-93.1	136.5	175.5	-66.4	-73.3	-74.8	0	0	109.7	Y492 I495 T496 L499 P500 F516	Y492-M502 HydrophobicContact CD2-CE 3.87Å; Y492-M502 HydrophobicContact CE2-CE 3.28Å; I495-M502 HydrophobicContact CG2-CE 3.96Å; T496-M502 HydrophobicContact CG2-CB 4.08Å; L499-M502 HydrophobicContact CB-CG 4.48Å; P500-M502 VanDerWaalsContact C-N 3.27Å; P500-M502 PolarHBondContact O-N 2.81Å; M502-F516 HydrophobicContact CG-CZ 4.21Å; M502-F516 HydrophobicContact SD-CE2 4.48Å; M502-F516 HydrophobicContact SD-CZ 3.72Å
503	A	84.1	Confident	88.2	Confident	7 Å²	7	60.1 Å²	60.1	6%	0.058	32%	0.315	C	S	.	.			trans	-61.1	149.5	174.9	0	0	0	0	0	111.3	Y492 Q505	Y492-A503 WeakPolarHBondContact CE1-O 3.33Å; Y492-A503 PolarHBondContact OH-N 2.83Å; Y492-A503 VanDerWaalsContact OH-N 3.15Å; Y492-A503 PolarHBondContact OH-O 3.44Å; A503-Q505 VanDerWaalsContact C-N 3.26Å; A503-Q505 PolarHBondContact O-N 3.25Å
504	E	77.9	Confident	88.3	Confident	175 Å²	175	57.4 Å²	57.4	82%	0.818	30%	0.301	S	S	*	.	S	Bend	trans	-64.5	-32.8	178.3	-65.8	-172.7	168	0	0	112.5
505	Q	80.4	Confident	88.4	Confident	156 Å²	156	58.4 Å²	58.4	73%	0.729	31%	0.308	S	S	*	.	S	Bend	trans	-110.1	136.8	177.6	-64.1	-173.8	6.3	0	0	110.6	A503	A503-Q505 VanDerWaalsContact C-N 3.26Å; A503-Q505 PolarHBondContact O-N 3.25Å
506	P	82.6	Confident	88.5	Confident	33 Å²	33	58.3 Å²	58.3	21%	0.214	31%	0.307	C	S	.	.			trans	-67.3	144.4	176	25.7	-31.4	0	0	0	111	F489 Y492 I512	F489-P506 HydrophobicContact CD2-CG 3.66Å; F489-P506 HydrophobicContact CE2-CG 4.29Å; Y492-P506 HydrophobicContact CD1-CB 3.83Å; Y492-P506 HydrophobicContact CD1-CG 4.29Å; Y492-P506 HydrophobicContact CD2-CB 4.04Å; Y492-P506 HydrophobicContact CE1-CB 4.17Å; Y492-P506 HydrophobicContact CE2-CB 4.34Å; Y492-P506 HydrophobicContact CG-CB 3.77Å; P506-I512 HydrophobicContact CB-CD1 3.59Å
507	P	80.8	Confident	88.6	Confident	52 Å²	52	58.4 Å²	58.4	34%	0.338	31%	0.308	S	S	.	.			trans	-56.8	147.7	168.2	-23.3	32.7	0	0	0	112.2	T509	P507-T509 HydrophobicContact CB-CG2 4.31Å; P507-T509 PolarHBondContact O-N 2.92Å; P507-T509 PolarHBondContact O-OG1 3.3Å
508	E	80.8	Confident	88.7	Confident	192 Å²	192	55.3 Å²	55.3	90%	0.897	29%	0.294	S	S	*	.	S	Bend	trans	-72.3	68.5	175.4	-64.7	-171.5	169.4	0	0	111.8
509	T	84.6	Confident	88.5	Confident	71 Å²	71	56 Å²	56	44%	0.436	30%	0.299	S	S	.	.	S	Bend	trans	-136.1	154.2	-177.1	54.1	0	0	0	0	110.1	L488 P507 E511 I512	L488-T509 WeakPolarHBondContact CD2-O 3.45Å; P507-T509 HydrophobicContact CB-CG2 4.31Å; P507-T509 PolarHBondContact O-N 2.92Å; P507-T509 PolarHBondContact O-OG1 3.3Å; T509-E511 VanDerWaalsContact C-N 3.28Å; T509-E511 PolarHBondContact OG1-O 2.54Å; T509-I512 WeakPolarHBondContact OG1-CG1 3.35Å
510	E	88.9	Confident	88.3	Confident	182 Å²	182	56.1 Å²	56.1	85%	0.85	30%	0.299	S	S	*	.	S	Bend	trans	-74.3	-24	176.7	-64.5	-172.7	169	0	0	112.5
511	E	91.6	Very high	88.1	Confident	82 Å²	82	54.6 Å²	54.6	38%	0.383	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	130	-177.4	176.1	175.3	165.2	0	0	109.6	T509 T528 C529 R530	T509-E511 VanDerWaalsContact C-N 3.28Å; T509-E511 PolarHBondContact OG1-O 2.54Å; E511-T528 HydrophobicContact CG-CG2 3.67Å; E511-T528 WeakPolarHBondContact OE1-CG2 3.37Å; E511-C529 WeakPolarHBondContact CA-O 3.34Å; E511-R530 HydrophobicContact CB-CG 4.07Å; E511-R530 HydrophobicContact CG-CG 3.85Å; E511-R530 IonicContact OE1-CZ 3.57Å; E511-R530 IonicContact OE1-NE 2.69Å; E511-R530 IonicContact OE1-NH2 2.79Å; E511-R530 PolarHBondContact OE1-NH2 2.92Å; E511-R530 IonicContact OE2-CZ 3.13Å; E511-R530 IonicContact OE2-NE 2.84Å; E511-R530 PolarHBondContact OE2-NE 2.8Å; E511-R530 IonicContact OE2-NH2 3.93Å; E511-R530 PolarHBondContact OE2-NH2 2.82Å
512	I	91.8	Very high	88.4	Confident	12 Å²	12	54.1 Å²	54.1	6%	0.062	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.1	178.8	-58.4	162.6	0	0	0	107.5	L488 Y492 P506 T509 T528 C529	L488-I512 HydrophobicContact CD1-CD1 4.11Å; L488-I512 HydrophobicContact CD2-CD1 4.09Å; L488-I512 HydrophobicContact CG-CD1 4.12Å; Y492-I512 HydrophobicContact CD2-CD1 3.64Å; Y492-I512 HydrophobicContact CD2-CG2 4.18Å; Y492-I512 HydrophobicContact CE2-CD1 4.2Å; Y492-I512 HydrophobicContact CE2-CG2 4.1Å; Y492-I512 HydrophobicContact CG-CD1 4.32Å; P506-I512 HydrophobicContact CB-CD1 3.59Å; T509-I512 WeakPolarHBondContact OG1-CG1 3.35Å; I512-T528 CarbonylContact O-C 3.59Å; I512-T528 WeakPolarHBondContact O-CA 3.16Å; I512-C529 HydrophobicContact CB-CB 4.45Å; I512-C529 PolarHBondContact N-O 2.77Å; I512-C529 PolarHBondContact O-N 2.83Å
513	S	92.7	Very high	88.7	Confident	55 Å²	55	53.1 Å²	53.1	39%	0.385	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.4	176	-158.2	0	0	0	0	110.2	Q526 I527 T528	S513-Q526 PolarHBondContact OG-NE2 2.9Å; S513-I527 CarbonylContact C-O 3.48Å; S513-I527 VanDerWaalsContact CA-O 3.31Å; S513-I527 WeakPolarHBondContact CA-O 3.18Å; S513-T528 PolarHBondContact OG-OG1 2.77Å; S513-T528 VanDerWaalsContact OG-OG1 3.12Å
514	S	93.5	Very high	89.3	Confident	6 Å²	6	53.6 Å²	53.6	4%	0.042	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.7	179.4	-66	0	0	0	0	110.4	Q526 I527	S514-Q526 WeakPolarHBondContact O-CA 3.03Å; S514-I527 PolarHBondContact N-O 3.18Å; S514-I527 PolarHBondContact O-N 3.31Å
515	C	95.3	Very high	90.2	Very high	21 Å²	21	45.3 Å²	45.3	14%	0.142	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141.7	179.5	-58.9	0	0	0	0	110.4	R467 T468 F471 L525	R467-C515 WeakPolarHBondContact CA-O 3.32Å; T468-C515 HydrophobicContact CG2-CB 4.27Å; T468-C515 PolarHBondContact N-O 3.31Å; T468-C515 WeakPolarHBondContact O-CB 3.12Å; F471-C515 HydrophobicContact CB-CB 4.22Å; C515-L525 CarbonylContact C-O 3.59Å; C515-L525 WeakPolarHBondContact CA-O 3.34Å
516	F	95.8	Very high	91	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	152.6	-176.9	-61.9	-95.2	0	0	0	110.8	H465 R466 R467 L499 P500 M502 Q524 L525	H465-F516 HydrophobicContact CB-CB 4.23Å; H465-F516 HydrophobicContact CB-CD1 4.38Å; R466-F516 CarbonylContact O-C 3.6Å; R466-F516 WeakPolarHBondContact O-CA 3.24Å; R467-F516 HydrophobicContact CB-CD1 4.16Å; R467-F516 HydrophobicContact CB-CE1 3.98Å; R467-F516 HydrophobicContact CG-CE1 4.46Å; L499-F516 HydrophobicContact CB-CE1 4.11Å; L499-F516 HydrophobicContact CB-CZ 4.12Å; L499-F516 HydrophobicContact CD1-CD2 4.02Å; L499-F516 HydrophobicContact CD1-CE1 4.27Å; L499-F516 HydrophobicContact CD1-CE2 3.63Å; L499-F516 HydrophobicContact CD1-CZ 3.77Å; L499-F516 HydrophobicContact CD2-CD1 4.04Å; L499-F516 HydrophobicContact CD2-CE1 4.19Å; L499-F516 HydrophobicContact CD2-CG 4.23Å; L499-F516 HydrophobicContact CD2-CZ 4.5Å; L499-F516 HydrophobicContact CG-CE1 4.44Å; L499-F516 HydrophobicContact CG-CZ 4.37Å; P500-F516 WeakPolarHBondContact O-CE1 3.42Å; M502-F516 HydrophobicContact CG-CZ 4.21Å; M502-F516 HydrophobicContact SD-CE2 4.48Å; M502-F516 HydrophobicContact SD-CZ 3.72Å; F516-Q524 CarbonylContact O-C 3.56Å; F516-Q524 WeakPolarHBondContact O-CA 3.14Å; F516-L525 HydrophobicContact CB-CB 4.18Å; F516-L525 HydrophobicContact CB-CD2 4.49Å; F516-L525 HydrophobicContact CD2-CD2 4.49Å; F516-L525 PolarHBondContact N-O 2.99Å; F516-L525 PolarHBondContact O-N 2.93Å
517	V	94.7	Very high	91.6	Very high	26 Å²	26	38 Å²	38	16%	0.158	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.2	171.1	63.1	0	0	0	0	109.2	H465 R466 T468 C519 T523	H465-V517 CarbonylContact C-O 3.49Å; H465-V517 WeakPolarHBondContact CA-O 3.13Å; R466-V517 PolarHBondContact N-O 2.83Å; R466-V517 PolarHBondContact O-N 2.84Å; T468-V517 HydrophobicContact CG2-CB 4.14Å; T468-V517 HydrophobicContact CG2-CG1 4.23Å; V517-C519 PolarHBondContact O-N 3.46Å; V517-T523 CarbonylContact C-O 3.58Å; V517-T523 WeakPolarHBondContact CA-O 3.48Å
518	S	94.1	Very high	92.3	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	115.5	170.6	177.6	0	0	0	0	108.9	L464 F520 T521 G522 T523	L464-S518 WeakPolarHBondContact O-CA 3.36Å; S518-F520 PolarHBondContact O-N 2.85Å; S518-T521 VanDerWaalsContact CB-OG1 3.27Å; S518-T521 WeakPolarHBondContact CB-OG1 3.32Å; S518-T521 PolarHBondContact O-N 2.81Å; S518-T521 PolarHBondContact OG-N 3.32Å; S518-T521 PolarHBondContact OG-OG1 3.34Å; S518-G522 VanDerWaalsContact O-CA 3.3Å; S518-G522 WeakPolarHBondContact O-CA 3.44Å; S518-G522 PolarHBondContact O-N 3.05Å; S518-T523 VanDerWaalsContact CB-OG1 3.25Å; S518-T523 WeakPolarHBondContact CB-OG1 3.47Å; S518-T523 PolarHBondContact N-O 3.19Å
519	C	90.8	Very high	92.9	Very high	15 Å²	15	27.1 Å²	27.1	10%	0.101	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.7	-179.3	-54.1	0	0	0	0	111.9	L359 D361 T364 L464 V517	L359-C519 HydrophobicContact CD2-CB 4.22Å; L359-C519 VanDerWaalsContact CD2-SG 3.59Å; D361-C519 HydrophobicContact CB-CB 4.48Å; D361-C519 VanDerWaalsContact CG-SG 3.56Å; D361-C519 PolarHBondContact OD1-SG 2.71Å; T364-C519 HydrophobicContact CG2-CB 4.37Å; T364-C519 WeakPolarHBondContact CG2-O 3.21Å; L464-C519 PolarHBondContact O-N 3.35Å; V517-C519 PolarHBondContact O-N 3.46Å
520	F	89	Confident	93.4	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.018	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-44.8	-179.5	-168.8	-116	0	0	0	113.8	T364 L464 S518 R583 W587 H630 R633 M634 I637	T364-F520 HydrophobicContact CG2-CB 4.31Å; T364-F520 HydrophobicContact CG2-CD2 4.02Å; L464-F520 HydrophobicContact CD1-CB 4.1Å; S518-F520 PolarHBondContact O-N 2.85Å; F520-R583 PolarHBondContact O-NH1 2.89Å; F520-W587 HydrophobicContact CE2-CH2 4.36Å; F520-W587 HydrophobicContact CZ-CH2 4.47Å; F520-H630 AromaticContact CE2-ND1 3.81Å; F520-R633 HydrophobicContact CD1-CG 4.45Å; F520-R633 HydrophobicContact CE1-CB 4.11Å; F520-R633 HydrophobicContact CE1-CG 3.76Å; F520-R633 HydrophobicContact CZ-CB 3.83Å; F520-R633 VanDerWaalsContact CZ-CD 3.5Å; F520-R633 HydrophobicContact CZ-CG 3.86Å; F520-M634 HydrophobicContact CD1-SD 3.89Å; F520-M634 HydrophobicContact CE1-CG 3.91Å; F520-M634 HydrophobicContact CE1-SD 3.11Å; F520-M634 WeakPolarHBondContact CE1-SD 3.39Å; F520-M634 HydrophobicContact CZ-CG 3.78Å; F520-M634 HydrophobicContact CZ-SD 3.5Å; F520-M634 VanDerWaalsContact CZ-SD 3.5Å; F520-I637 HydrophobicContact CD1-CD1 3.34Å; F520-I637 HydrophobicContact CE1-CD1 3.51Å
521	T	89	Confident	93.6	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.018	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-20.6	-174.4	58.1	0	0	0	0	114	S518 T523 L579 I637	S518-T521 VanDerWaalsContact CB-OG1 3.27Å; S518-T521 WeakPolarHBondContact CB-OG1 3.32Å; S518-T521 PolarHBondContact O-N 2.81Å; S518-T521 PolarHBondContact OG-N 3.32Å; S518-T521 PolarHBondContact OG-OG1 3.34Å; T521-T523 VanDerWaalsContact C-N 3.27Å; T521-T523 WeakPolarHBondContact OG1-CG2 3.35Å; T521-T523 PolarHBondContact OG1-OG1 2.97Å; T521-L579 WeakPolarHBondContact O-CD2 3.41Å; T521-I637 HydrophobicContact CG2-CD1 4.35Å; T521-I637 HydrophobicContact CG2-CG2 4.47Å
522	G	91	Very high	93.7	Very high	20 Å²	20	24.2 Å²	24.2	21%	0.206	13%	0.134	C	C	.	.			trans	80.3	5	-174	0	0	0	0	0	114.5	R475 S518	R475-G522 PolarHBondContact NH1-O 3.44Å; S518-G522 VanDerWaalsContact O-CA 3.3Å; S518-G522 WeakPolarHBondContact O-CA 3.44Å; S518-G522 PolarHBondContact O-N 3.05Å
523	T	93.8	Very high	93.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.14	C	C	.	.			trans	-70.3	149.2	177.5	60	0	0	0	0	110.6	V517 S518 T521 D539 N540 V576 L579	V517-T523 CarbonylContact C-O 3.58Å; V517-T523 WeakPolarHBondContact CA-O 3.48Å; S518-T523 VanDerWaalsContact CB-OG1 3.25Å; S518-T523 WeakPolarHBondContact CB-OG1 3.47Å; S518-T523 PolarHBondContact N-O 3.19Å; T521-T523 VanDerWaalsContact C-N 3.27Å; T521-T523 WeakPolarHBondContact OG1-CG2 3.35Å; T521-T523 PolarHBondContact OG1-OG1 2.97Å; T523-D539 WeakPolarHBondContact CA-OD1 3.45Å; T523-D539 WeakPolarHBondContact CB-OD1 3.37Å; T523-N540 HydrophobicContact CG2-CB 3.84Å; T523-V576 HydrophobicContact CG2-CG1 4.37Å; T523-V576 HydrophobicContact CG2-CG2 3.95Å; T523-L579 HydrophobicContact CG2-CD2 4.2Å
524	Q	96.3	Very high	94	Very high	18 Å²	18	23 Å²	23	8%	0.084	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	150.8	-179.2	-69.8	177.2	-10	0	0	112	F471 F516 S538 D539	F471-Q524 HydrophobicContact CD2-CB 3.96Å; F471-Q524 HydrophobicContact CE2-CB 4.03Å; F516-Q524 CarbonylContact O-C 3.56Å; F516-Q524 WeakPolarHBondContact O-CA 3.14Å; Q524-S538 VanDerWaalsContact O-CA 3.22Å; Q524-S538 WeakPolarHBondContact O-CA 3.44Å; Q524-S538 VanDerWaalsContact O-CB 3.3Å; Q524-S538 WeakPolarHBondContact O-CB 3.48Å; Q524-S538 PolarHBondContact O-OG 2.83Å; Q524-D539 PolarHBondContact N-OD1 3.18Å; Q524-D539 PolarHBondContact N-OD2 3.45Å; Q524-D539 PolarHBondContact O-N 3.47Å; Q524-D539 VanDerWaalsContact O-OD1 3.14Å
525	L	96.7	Very high	94.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	120.9	177	167.2	68.7	0	0	0	108.9	L462 L499 C515 F516 I527 A536 L537 T543 L547	L462-L525 HydrophobicContact CD1-CD2 3.76Å; L499-L525 HydrophobicContact CD1-CD2 4.13Å; L499-L525 HydrophobicContact CD2-CD2 3.99Å; C515-L525 CarbonylContact C-O 3.59Å; C515-L525 WeakPolarHBondContact CA-O 3.34Å; F516-L525 HydrophobicContact CB-CB 4.18Å; F516-L525 HydrophobicContact CB-CD2 4.49Å; F516-L525 HydrophobicContact CD2-CD2 4.49Å; F516-L525 PolarHBondContact N-O 2.99Å; F516-L525 PolarHBondContact O-N 2.93Å; L525-I527 HydrophobicContact CD1-CD1 4.36Å; L525-I527 HydrophobicContact CD1-CG1 3.88Å; L525-I527 HydrophobicContact CD2-CD1 4.1Å; L525-I527 HydrophobicContact CD2-CG1 4.17Å; L525-I527 HydrophobicContact CG-CD1 4.38Å; L525-I527 HydrophobicContact CG-CG1 3.91Å; L525-A536 HydrophobicContact CD1-CB 4.15Å; L525-L537 CarbonylContact C-O 3.57Å; L525-L537 WeakPolarHBondContact CA-O 3.45Å; L525-T543 HydrophobicContact CB-CG2 4.41Å; L525-T543 HydrophobicContact CD1-CG2 4.17Å; L525-T543 HydrophobicContact CD2-CG2 3.86Å; L525-T543 HydrophobicContact CG-CG2 4.38Å; L525-L547 HydrophobicContact CD1-CD1 3.81Å; L525-L547 HydrophobicContact CD2-CD1 4.19Å
526	Q	96.9	Very high	94.3	Very high	33 Å²	33	22.9 Å²	22.9	15%	0.154	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.3	167.5	-176.9	-177.2	17.9	0	0	108.8	F471 S513 S514 A536 L537	F471-Q526 HydrophobicContact CD1-CB 4.19Å; F471-Q526 HydrophobicContact CD2-CB 3.8Å; F471-Q526 HydrophobicContact CE1-CB 3.94Å; F471-Q526 HydrophobicContact CE2-CB 3.56Å; F471-Q526 HydrophobicContact CG-CB 4.1Å; F471-Q526 HydrophobicContact CZ-CB 3.61Å; S513-Q526 PolarHBondContact OG-NE2 2.9Å; S514-Q526 WeakPolarHBondContact O-CA 3.03Å; Q526-A536 CarbonylContact O-C 3.58Å; Q526-A536 WeakPolarHBondContact O-CA 3.42Å; Q526-L537 HydrophobicContact CB-CB 4.35Å; Q526-L537 PolarHBondContact N-O 3.12Å; Q526-L537 PolarHBondContact O-N 2.72Å
527	I	95.9	Very high	94.3	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.015	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.1	172.8	-60.4	-160.2	0	0	0	109.3	I495 L499 S513 S514 L525 I534 I535 A536 L547	I495-I527 HydrophobicContact CD1-CD1 4.1Å; I495-I527 HydrophobicContact CD1-CG2 4.06Å; I495-I527 HydrophobicContact CG1-CG2 4Å; I495-I527 HydrophobicContact CG2-CD1 4.09Å; I495-I527 HydrophobicContact CG2-CG2 4.01Å; L499-I527 HydrophobicContact CD1-CD1 3.33Å; L499-I527 HydrophobicContact CD1-CG1 4.2Å; S513-I527 CarbonylContact C-O 3.48Å; S513-I527 VanDerWaalsContact CA-O 3.31Å; S513-I527 WeakPolarHBondContact CA-O 3.18Å; S514-I527 PolarHBondContact N-O 3.18Å; S514-I527 PolarHBondContact O-N 3.31Å; L525-I527 HydrophobicContact CD1-CD1 4.36Å; L525-I527 HydrophobicContact CD1-CG1 3.88Å; L525-I527 HydrophobicContact CD2-CD1 4.1Å; L525-I527 HydrophobicContact CD2-CG1 4.17Å; L525-I527 HydrophobicContact CG-CD1 4.38Å; L525-I527 HydrophobicContact CG-CG1 3.91Å; I527-I534 HydrophobicContact CG2-CG2 4.48Å; I527-I535 CarbonylContact C-O 3.56Å; I527-I535 WeakPolarHBondContact CA-O 3.26Å; I527-A536 HydrophobicContact CG1-CB 4.27Å; I527-L547 HydrophobicContact CD1-CD1 4.03Å; I527-L547 HydrophobicContact CD1-CD2 4.23Å
528	T	95.7	Very high	94.4	Very high	13 Å²	13	23.1 Å²	23.1	8%	0.08	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120.7	175.2	-58	0	0	0	0	109.5	E511 I512 S513 R530 I535	E511-T528 HydrophobicContact CG-CG2 3.67Å; E511-T528 WeakPolarHBondContact OE1-CG2 3.37Å; I512-T528 CarbonylContact O-C 3.59Å; I512-T528 WeakPolarHBondContact O-CA 3.16Å; S513-T528 PolarHBondContact OG-OG1 2.77Å; S513-T528 VanDerWaalsContact OG-OG1 3.12Å; T528-R530 HydrophobicContact CG2-CG 4.46Å; T528-I535 PolarHBondContact N-O 3.11Å; T528-I535 PolarHBondContact O-N 3.16Å
529	C	93.9	Very high	94.3	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.014	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.9	176.3	-65.5	0	0	0	0	109.9	L488 A491 I495 E511 I512	L488-C529 HydrophobicContact CD1-CB 3.93Å; L488-C529 WeakPolarHBondContact CD1-O 3.45Å; A491-C529 HydrophobicContact CB-CB 4.5Å; I495-C529 VanDerWaalsContact CG1-SG 3.59Å; E511-C529 WeakPolarHBondContact CA-O 3.34Å; I512-C529 HydrophobicContact CB-CB 4.45Å; I512-C529 PolarHBondContact N-O 2.77Å; I512-C529 PolarHBondContact O-N 2.83Å
530	R	93.9	Very high	94.3	Very high	92 Å²	92	22.7 Å²	22.7	35%	0.347	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	168.4	172.6	-67.2	177.5	178.8	148.8	5.8	109.2	E511 T528 N532 E533	E511-R530 HydrophobicContact CB-CG 4.07Å; E511-R530 HydrophobicContact CG-CG 3.85Å; E511-R530 IonicContact OE1-CZ 3.57Å; E511-R530 IonicContact OE1-NE 2.69Å; E511-R530 IonicContact OE1-NH2 2.79Å; E511-R530 PolarHBondContact OE1-NH2 2.92Å; E511-R530 IonicContact OE2-CZ 3.13Å; E511-R530 IonicContact OE2-NE 2.84Å; E511-R530 PolarHBondContact OE2-NE 2.8Å; E511-R530 IonicContact OE2-NH2 3.93Å; E511-R530 PolarHBondContact OE2-NH2 2.82Å; T528-R530 HydrophobicContact CG2-CG 4.46Å; R530-N532 PolarHBondContact O-N 3.07Å; R530-E533 HydrophobicContact CB-CB 4.42Å; R530-E533 PolarHBondContact N-O 3.37Å; R530-E533 IonicContact NH1-OE2 3.58Å; R530-E533 PolarHBondContact O-N 2.91Å
531	L	93.4	Very high	94.2	Very high	112 Å²	112	22.8 Å²	22.8	59%	0.586	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	124.4	168.9	-179.5	61.7	0	0	0	110.3	E533	L531-E533 PolarHBondContact O-N 2.66Å
532	N	93.6	Very high	94.2	Very high	71 Å²	71	23 Å²	23	38%	0.38	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	6.6	-179.1	-58.5	-48.8	0	0	0	116.8	K483 G484 F486 R530	K483-N532 WeakPolarHBondContact CA-O 3.35Å; G484-N532 PolarHBondContact N-O 2.77Å; G484-N532 WeakPolarHBondContact O-CA 3.25Å; G484-N532 WeakPolarHBondContact O-CB 3.32Å; G484-N532 PolarHBondContact O-OD1 2.89Å; G484-N532 VanDerWaalsContact O-OD1 3.12Å; F486-N532 PolarHBondContact N-OD1 3.03Å; F486-N532 PolarHBondContact O-N 3.18Å; F486-N532 VanDerWaalsContact O-N 3.1Å; F486-N532 PolarHBondContact O-OD1 2.84Å; R530-N532 PolarHBondContact O-N 3.07Å
533	E	95.2	Very high	94.2	Very high	39 Å²	39	22.1 Å²	22.1	18%	0.182	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	134.7	-174.3	-172.7	174.7	-132.7	0	0	112.5	I482 K483 R530 L531 I535	I482-E533 CarbonylContact O-C 3.59Å; I482-E533 WeakPolarHBondContact O-CA 3.46Å; K483-E533 WeakPolarHBondContact CE-OE1 3.29Å; K483-E533 HydrophobicContact CG-CG 4.19Å; K483-E533 IonicContact NZ-OE1 3.97Å; R530-E533 HydrophobicContact CB-CB 4.42Å; R530-E533 PolarHBondContact N-O 3.37Å; R530-E533 IonicContact NH1-OE2 3.58Å; R530-E533 PolarHBondContact O-N 2.91Å; L531-E533 PolarHBondContact O-N 2.66Å; E533-I535 HydrophobicContact CG-CD1 4.28Å; E533-I535 HydrophobicContact CG-CG1 3.89Å
534	I	96.4	Very high	94.2	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.015	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.9	169.1	-61.4	170.4	0	0	0	107.5	I482 F486 A491 I495 I527	I482-I534 HydrophobicContact CB-CB 4.32Å; I482-I534 PolarHBondContact N-O 2.76Å; I482-I534 PolarHBondContact O-N 2.79Å; F486-I534 HydrophobicContact CE2-CD1 4.22Å; F486-I534 HydrophobicContact CE2-CG1 3.99Å; F486-I534 HydrophobicContact CZ-CD1 4.11Å; F486-I534 HydrophobicContact CZ-CG1 3.99Å; A491-I534 HydrophobicContact CB-CD1 4.04Å; A491-I534 HydrophobicContact CB-CG1 3.93Å; I495-I534 HydrophobicContact CD1-CD1 4.42Å; I495-I534 HydrophobicContact CD1-CG2 3.91Å; I495-I534 HydrophobicContact CG1-CG2 4.41Å; I527-I534 HydrophobicContact CG2-CG2 4.48Å
535	I	97	Very high	93.8	Very high	21 Å²	21	21.5 Å²	21.5	11%	0.108	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.6	176.7	-54	176.1	0	0	0	108.3	K479 L480 I527 T528 E533 L537	K479-I535 HydrophobicContact CG-CG2 4.35Å; L480-I535 WeakPolarHBondContact O-CA 3.48Å; I527-I535 CarbonylContact C-O 3.56Å; I527-I535 WeakPolarHBondContact CA-O 3.26Å; T528-I535 PolarHBondContact N-O 3.11Å; T528-I535 PolarHBondContact O-N 3.16Å; E533-I535 HydrophobicContact CG-CD1 4.28Å; E533-I535 HydrophobicContact CG-CG1 3.89Å; I535-L537 HydrophobicContact CG2-CD2 4.43Å; I535-L537 HydrophobicContact CG2-CG 4.41Å
536	A	96.9	Very high	93.6	Very high	3 Å²	3	22.7 Å²	22.7	3%	0.025	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.8	171.6	0	0	0	0	0	109.9	K479 L480 L525 Q526 I527 I544 L547	K479-A536 WeakPolarHBondContact CA-O 2.87Å; L480-A536 HydrophobicContact CB-CB 4.27Å; L480-A536 PolarHBondContact N-O 3.37Å; L480-A536 PolarHBondContact O-N 2.91Å; L525-A536 HydrophobicContact CD1-CB 4.15Å; Q526-A536 CarbonylContact O-C 3.58Å; Q526-A536 WeakPolarHBondContact O-CA 3.42Å; I527-A536 HydrophobicContact CG1-CB 4.27Å; A536-I544 HydrophobicContact CB-CD1 4.05Å; A536-L547 HydrophobicContact CB-CD1 3.81Å
537	L	96.7	Very high	93.4	Very high	31 Å²	31	21.2 Å²	21.2	16%	0.162	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.7	175.1	-59.9	175.1	0	0	0	108.5	F471 N478 K479 L525 Q526 I535	F471-L537 HydrophobicContact CZ-CB 4.03Å; N478-L537 CarbonylContact O-C 3.53Å; N478-L537 WeakPolarHBondContact O-CA 3.37Å; K479-L537 HydrophobicContact CB-CD2 3.53Å; K479-L537 HydrophobicContact CD-CD2 3.93Å; K479-L537 HydrophobicContact CG-CD2 3.57Å; L525-L537 CarbonylContact C-O 3.57Å; L525-L537 WeakPolarHBondContact CA-O 3.45Å; Q526-L537 HydrophobicContact CB-CB 4.35Å; Q526-L537 PolarHBondContact N-O 3.12Å; Q526-L537 PolarHBondContact O-N 2.72Å; I535-L537 HydrophobicContact CG2-CD2 4.43Å; I535-L537 HydrophobicContact CG2-CG 4.41Å
538	S	95.5	Very high	93.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	143.8	176.9	-177.1	0	0	0	0	112.3	N478 Q524 N540	N478-S538 WeakPolarHBondContact CB-O 3.29Å; N478-S538 PolarHBondContact N-O 2.92Å; N478-S538 PolarHBondContact ND2-O 3.31Å; N478-S538 PolarHBondContact O-N 3.09Å; Q524-S538 VanDerWaalsContact O-CA 3.22Å; Q524-S538 WeakPolarHBondContact O-CA 3.44Å; Q524-S538 VanDerWaalsContact O-CB 3.3Å; Q524-S538 WeakPolarHBondContact O-CB 3.48Å; Q524-S538 PolarHBondContact O-OG 2.83Å; S538-N540 PolarHBondContact O-N 2.68Å; S538-N540 PolarHBondContact OG-N 3.46Å; S538-N540 VanDerWaalsContact OG-N 3.09Å
539	D	93.2	Very high	93	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.016	13%	0.132	C	C	.	.	S	Bend	trans	-73.1	-3.4	169.3	55.9	4	0	0	0	112.7	R475 P476 T523 Q524 T572 F575 V576	R475-D539 WeakPolarHBondContact CD-OD2 3.3Å; R475-D539 IonicContact NH1-OD2 2.84Å; R475-D539 PolarHBondContact NH1-OD2 3.12Å; P476-D539 WeakPolarHBondContact O-CA 3.21Å; P476-D539 WeakPolarHBondContact O-CB 3.43Å; T523-D539 WeakPolarHBondContact CA-OD1 3.45Å; T523-D539 WeakPolarHBondContact CB-OD1 3.37Å; Q524-D539 PolarHBondContact N-OD1 3.18Å; Q524-D539 PolarHBondContact N-OD2 3.45Å; Q524-D539 PolarHBondContact O-N 3.47Å; Q524-D539 VanDerWaalsContact O-OD1 3.14Å; D539-T572 WeakPolarHBondContact O-CB 3.37Å; D539-F575 HydrophobicContact CB-CD1 4.19Å; D539-F575 HydrophobicContact CB-CE1 4.13Å; D539-V576 VanDerWaalsContact O-CG2 3.23Å; D539-V576 WeakPolarHBondContact O-CG2 3.34Å
540	N	90.3	Very high	93	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.032	13%	0.133	C	C	.	.			trans	-116	121.1	177.4	-168.5	-8.5	0	0	0	113	T523 S538 S542 T543 I544	T523-N540 HydrophobicContact CG2-CB 3.84Å; S538-N540 PolarHBondContact O-N 2.68Å; S538-N540 PolarHBondContact OG-N 3.46Å; S538-N540 VanDerWaalsContact OG-N 3.09Å; N540-S542 VanDerWaalsContact C-N 3.34Å; N540-S542 PolarHBondContact O-N 3.21Å; N540-S542 PolarHBondContact OD1-N 2.84Å; N540-T543 PolarHBondContact O-N 3.26Å; N540-I544 PolarHBondContact O-N 3.15Å
541	L	87.9	Confident	93	Very high	6 Å²	6	22.4 Å²	22.4	3%	0.031	12%	0.117	C	C	.	.	H	α-helix	trans	-69	-30.7	179.1	-176.6	61.6	0	0	0	113.1	I544 T545 V568 Y645	L541-I544 PolarHBondContact O-N 3.42Å; L541-T545 PolarHBondContact O-N 2.93Å; L541-T545 PolarHBondContact O-OG1 2.72Å; L541-V568 HydrophobicContact CD1-CG1 4.02Å; L541-V568 HydrophobicContact CD1-CG2 3.93Å; L541-V568 HydrophobicContact CD2-CG1 4.38Å; L541-Y645 HydrophobicContact CD2-CD2 3.71Å; L541-Y645 HydrophobicContact CD2-CG 4.3Å
542	S	88	Confident	92.9	Very high	8 Å²	8	20.4 Å²	20.4	6%	0.056	11%	0.107	C	C	.	.	H	α-helix	trans	-64.1	-45.2	177.3	-76.4	0	0	0	0	111.1	N540 I544 T545 I546 S641	N540-S542 VanDerWaalsContact C-N 3.34Å; N540-S542 PolarHBondContact O-N 3.21Å; N540-S542 PolarHBondContact OD1-N 2.84Å; S542-I544 VanDerWaalsContact C-N 3.35Å; S542-I544 PolarHBondContact O-N 3.34Å; S542-T545 PolarHBondContact O-N 3.2Å; S542-T545 VanDerWaalsContact O-N 3.14Å; S542-I546 WeakPolarHBondContact O-CG1 3.31Å; S542-I546 PolarHBondContact O-N 3.36Å; S542-S641 WeakPolarHBondContact OG-CA 3.4Å; S542-S641 WeakPolarHBondContact OG-CB 3.35Å; S542-S641 PolarHBondContact OG-N 2.84Å; S542-S641 PolarHBondContact OG-OG 2.88Å
543	T	91.8	Very high	92.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-56.2	-47.9	175.8	-55.8	0	0	0	0	111.6	L462 H465 L525 N540 T545 I546 L547	L462-T543 HydrophobicContact CD1-CG2 3.72Å; L462-T543 HydrophobicContact CD2-CG2 4.15Å; H465-T543 WeakPolarHBondContact NE2-CG2 3.37Å; L525-T543 HydrophobicContact CB-CG2 4.41Å; L525-T543 HydrophobicContact CD1-CG2 4.17Å; L525-T543 HydrophobicContact CD2-CG2 3.86Å; L525-T543 HydrophobicContact CG-CG2 4.38Å; N540-T543 PolarHBondContact O-N 3.26Å; T543-T545 VanDerWaalsContact C-N 3.32Å; T543-T545 PolarHBondContact O-N 3.15Å; T543-I546 PolarHBondContact O-N 3.27Å; T543-L547 HydrophobicContact CG2-CD1 4.44Å; T543-L547 WeakPolarHBondContact O-CG 3.36Å; T543-L547 PolarHBondContact O-N 3.49Å
544	I	91.9	Very high	92.7	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-60.5	-41.4	177.6	-68.1	-57.7	0	0	0	112	N478 L480 A536 N540 L541 S542 L547 Q548	N478-I544 HydrophobicContact CB-CG1 3.97Å; L480-I544 HydrophobicContact CB-CD1 4.13Å; L480-I544 HydrophobicContact CB-CG2 3.8Å; L480-I544 HydrophobicContact CD2-CG2 4.27Å; L480-I544 HydrophobicContact CG-CG2 4.45Å; A536-I544 HydrophobicContact CB-CD1 4.05Å; N540-I544 PolarHBondContact O-N 3.15Å; L541-I544 PolarHBondContact O-N 3.42Å; S542-I544 VanDerWaalsContact C-N 3.35Å; S542-I544 PolarHBondContact O-N 3.34Å; I544-L547 PolarHBondContact O-N 2.87Å; I544-Q548 WeakPolarHBondContact O-CB 3.18Å; I544-Q548 PolarHBondContact O-N 3.16Å
545	T	89	Confident	92.5	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.018	10%	0.104	C	C	.	.	H	α-helix	trans	-70	-42.2	-179.8	-55.6	0	0	0	0	111.8	L541 S542 T543 L547 Q548 D549 L644 K648	L541-T545 PolarHBondContact O-N 2.93Å; L541-T545 PolarHBondContact O-OG1 2.72Å; S542-T545 PolarHBondContact O-N 3.2Å; S542-T545 VanDerWaalsContact O-N 3.14Å; T543-T545 VanDerWaalsContact C-N 3.32Å; T543-T545 PolarHBondContact O-N 3.15Å; T545-L547 VanDerWaalsContact C-N 3.31Å; T545-L547 PolarHBondContact O-N 3.37Å; T545-Q548 WeakPolarHBondContact O-CB 3.34Å; T545-Q548 PolarHBondContact O-N 3.46Å; T545-D549 PolarHBondContact O-N 3.5Å; T545-L644 HydrophobicContact CG2-CD1 3.78Å; T545-L644 HydrophobicContact CG2-CD2 3.34Å; T545-L644 HydrophobicContact CG2-CG 4.16Å; T545-K648 VanDerWaalsContact CG2-NZ 3.34Å; T545-K648 PolarHBondContact OG1-NZ 3.1Å
546	I	91.6	Very high	92.2	Very high	26 Å²	26	23.5 Å²	23.5	13%	0.133	12%	0.122	C	C	.	.	H	α-helix	trans	-57.9	-46.8	175	-69.6	163.2	0	0	0	110.3	E433 A461 L462 S542 T543 Q548 D549 V550	E433-I546 HydrophobicContact CB-CD1 3.88Å; A461-I546 HydrophobicContact CB-CG2 4.24Å; L462-I546 HydrophobicContact CD2-CB 4.05Å; L462-I546 HydrophobicContact CD2-CD1 4.1Å; L462-I546 HydrophobicContact CD2-CG2 3.66Å; L462-I546 HydrophobicContact CG-CG2 4.22Å; S542-I546 WeakPolarHBondContact O-CG1 3.31Å; S542-I546 PolarHBondContact O-N 3.36Å; T543-I546 PolarHBondContact O-N 3.27Å; I546-Q548 PolarHBondContact O-N 3.37Å; I546-D549 PolarHBondContact O-N 2.67Å; I546-V550 HydrophobicContact CG2-CG2 4.14Å; I546-V550 WeakPolarHBondContact O-CB 3.35Å; I546-V550 WeakPolarHBondContact O-CG2 3.39Å; I546-V550 PolarHBondContact O-N 3.35Å
547	L	93.9	Very high	92	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-58.8	-47.6	175.8	-74.3	171.9	0	0	0	111.6	L462 L480 C498 L525 I527 A536 T543 I544 T545 D549 V550 I551	L462-L547 HydrophobicContact CD1-CD1 4.19Å; L462-L547 HydrophobicContact CD1-CD2 3.67Å; L462-L547 HydrophobicContact CD1-CG 3.78Å; L462-L547 HydrophobicContact CG-CD2 4.5Å; L480-L547 HydrophobicContact CD2-CB 4.03Å; C498-L547 HydrophobicContact CB-CD2 3.94Å; L525-L547 HydrophobicContact CD1-CD1 3.81Å; L525-L547 HydrophobicContact CD2-CD1 4.19Å; I527-L547 HydrophobicContact CD1-CD1 4.03Å; I527-L547 HydrophobicContact CD1-CD2 4.23Å; A536-L547 HydrophobicContact CB-CD1 3.81Å; T543-L547 HydrophobicContact CG2-CD1 4.44Å; T543-L547 WeakPolarHBondContact O-CG 3.36Å; T543-L547 PolarHBondContact O-N 3.49Å; I544-L547 PolarHBondContact O-N 2.87Å; T545-L547 VanDerWaalsContact C-N 3.31Å; T545-L547 PolarHBondContact O-N 3.37Å; L547-D549 PolarHBondContact O-N 3.11Å; L547-V550 PolarHBondContact O-N 3.16Å; L547-I551 HydrophobicContact CB-CD1 4.21Å; L547-I551 WeakPolarHBondContact O-CB 3.4Å; L547-I551 WeakPolarHBondContact O-CD1 3.4Å; L547-I551 WeakPolarHBondContact O-CG1 3.25Å; L547-I551 PolarHBondContact O-N 3.48Å
548	Q	92.7	Very high	91.7	Very high	36 Å²	36	30.3 Å²	30.3	17%	0.168	16%	0.159	C	C	.	.	H	α-helix	trans	-55.7	-50.6	177.9	177.6	-175.2	2.2	0	0	111.6	L480 I544 T545 I546 N552 I564	L480-Q548 HydrophobicContact CD1-CB 4.28Å; L480-Q548 HydrophobicContact CD2-CB 4.12Å; I544-Q548 WeakPolarHBondContact O-CB 3.18Å; I544-Q548 PolarHBondContact O-N 3.16Å; T545-Q548 WeakPolarHBondContact O-CB 3.34Å; T545-Q548 PolarHBondContact O-N 3.46Å; I546-Q548 PolarHBondContact O-N 3.37Å; Q548-N552 WeakPolarHBondContact O-CB 3.15Å; Q548-N552 PolarHBondContact O-N 2.81Å; Q548-I564 HydrophobicContact CG-CD1 4.47Å; Q548-I564 HydrophobicContact CG-CG2 4.18Å
549	D	91.2	Very high	91.4	Very high	92 Å²	92	33.4 Å²	33.4	49%	0.492	19%	0.191	S	C	.	.	H	α-helix	trans	-67.1	-43	-175	-70.1	-16.2	0	0	0	111.5	T545 I546 L547 R553	T545-D549 PolarHBondContact O-N 3.5Å; I546-D549 PolarHBondContact O-N 2.67Å; L547-D549 PolarHBondContact O-N 3.11Å; D549-R553 WeakPolarHBondContact O-CB 3.41Å; D549-R553 PolarHBondContact O-N 2.97Å
550	V	92.8	Very high	91.2	Very high	3 Å²	3	36 Å²	36	2%	0.018	20%	0.2	C	C	.	.	H	α-helix	trans	-67.8	-49.4	179.6	176.9	0	0	0	0	110.7	Y436 A461 F497 C498 I546 L547 N552 R553 E554	Y436-V550 HydrophobicContact CD1-CG2 4.47Å; A461-V550 HydrophobicContact CB-CG1 4.27Å; A461-V550 HydrophobicContact CB-CG2 3.7Å; F497-V550 HydrophobicContact CD1-CG1 4.1Å; F497-V550 HydrophobicContact CE1-CG1 4.11Å; C498-V550 VanDerWaalsContact SG-CG1 3.51Å; I546-V550 HydrophobicContact CG2-CG2 4.14Å; I546-V550 WeakPolarHBondContact O-CB 3.35Å; I546-V550 WeakPolarHBondContact O-CG2 3.39Å; I546-V550 PolarHBondContact O-N 3.35Å; L547-V550 PolarHBondContact O-N 3.16Å; V550-N552 VanDerWaalsContact C-N 3.33Å; V550-N552 PolarHBondContact O-N 2.8Å; V550-R553 PolarHBondContact O-N 2.73Å; V550-E554 HydrophobicContact CG1-CG 4.43Å; V550-E554 WeakPolarHBondContact O-CG 3.05Å; V550-E554 PolarHBondContact O-N 3.39Å
551	I	93.8	Very high	91.2	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-42.7	179.3	-65.4	167.7	0	0	0	110.4	I482 I494 I495 L547 R553 E554 A555 L562	I482-I551 HydrophobicContact CD1-CB 3.99Å; I482-I551 HydrophobicContact CD1-CD1 3.63Å; I482-I551 HydrophobicContact CD1-CG1 4.41Å; I482-I551 HydrophobicContact CD1-CG2 3.61Å; I482-I551 HydrophobicContact CG2-CG2 4.49Å; I494-I551 HydrophobicContact CG2-CB 4.28Å; I494-I551 HydrophobicContact CG2-CG1 3.79Å; I494-I551 HydrophobicContact CG2-CG2 4.19Å; I495-I551 HydrophobicContact CD1-CD1 4.02Å; L547-I551 HydrophobicContact CB-CD1 4.21Å; L547-I551 WeakPolarHBondContact O-CB 3.4Å; L547-I551 WeakPolarHBondContact O-CD1 3.4Å; L547-I551 WeakPolarHBondContact O-CG1 3.25Å; L547-I551 PolarHBondContact O-N 3.48Å; I551-R553 VanDerWaalsContact C-N 3.33Å; I551-R553 PolarHBondContact O-N 2.86Å; I551-E554 PolarHBondContact O-N 2.68Å; I551-A555 WeakPolarHBondContact O-CB 3.31Å; I551-A555 PolarHBondContact O-N 3.17Å; I551-L562 HydrophobicContact CG2-CD1 4.09Å
552	N	92.5	Very high	91.4	Very high	71 Å²	71	46.4 Å²	46.4	38%	0.38	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-40	178.9	-174.4	38.9	0	0	0	112	Q548 V550 S556 I564	Q548-N552 WeakPolarHBondContact O-CB 3.15Å; Q548-N552 PolarHBondContact O-N 2.81Å; V550-N552 VanDerWaalsContact C-N 3.33Å; V550-N552 PolarHBondContact O-N 2.8Å; N552-S556 VanDerWaalsContact O-CB 3.23Å; N552-S556 WeakPolarHBondContact O-CB 3.27Å; N552-S556 PolarHBondContact O-N 3.36Å; N552-S556 PolarHBondContact O-OG 3.37Å; N552-I564 HydrophobicContact CB-CD1 4.19Å
553	R	92.7	Very high	91.6	Very high	97 Å²	97	51.3 Å²	51.3	37%	0.366	27%	0.272	S	S	.	.	H	α-helix	trans	-67.8	-45.8	176.4	-176.8	-177.4	56.9	-126.5	-21.4	112.2	Y436 D549 V550 I551 S556 S557	Y436-R553 VanDerWaalsContact CE1-NH1 3.34Å; Y436-R553 PolarHBondContact OH-NE 2.8Å; Y436-R553 PolarHBondContact OH-NH1 2.82Å; Y436-R553 VanDerWaalsContact OH-NH1 3.16Å; Y436-R553 PolarHBondContact OH-NH2 3.04Å; D549-R553 WeakPolarHBondContact O-CB 3.41Å; D549-R553 PolarHBondContact O-N 2.97Å; V550-R553 PolarHBondContact O-N 2.73Å; I551-R553 VanDerWaalsContact C-N 3.33Å; I551-R553 PolarHBondContact O-N 2.86Å; R553-S556 PolarHBondContact O-N 2.88Å; R553-S557 PolarHBondContact O-N 3.22Å
554	E	91.9	Very high	91.6	Very high	30 Å²	30	53.3 Å²	53.3	14%	0.14	28%	0.282	C	S	.	.	H	α-helix	trans	-67	-37.2	177.9	-68.8	-48.9	129	0	0	112.3	I494 F497 V550 I551 S557 R558	I494-E554 HydrophobicContact CD1-CB 4.27Å; I494-E554 HydrophobicContact CG2-CB 4.5Å; F497-E554 HydrophobicContact CD1-CG 3.93Å; F497-E554 HydrophobicContact CE1-CG 3.92Å; V550-E554 HydrophobicContact CG1-CG 4.43Å; V550-E554 WeakPolarHBondContact O-CG 3.05Å; V550-E554 PolarHBondContact O-N 3.39Å; I551-E554 PolarHBondContact O-N 2.68Å; E554-S557 PolarHBondContact O-N 3.48Å; E554-S557 PolarHBondContact O-OG 2.87Å; E554-R558 VanDerWaalsContact O-CG 3.28Å; E554-R558 WeakPolarHBondContact O-CG 3.4Å; E554-R558 PolarHBondContact O-N 3.47Å
555	A	91.1	Very high	91.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-67.2	-39	173.3	0	0	0	0	0	111.7	I551 R558 G559 W560 L562	I551-A555 WeakPolarHBondContact O-CB 3.31Å; I551-A555 PolarHBondContact O-N 3.17Å; A555-R558 CarbonylContact O-C 3.56Å; A555-R558 PolarHBondContact O-N 3.22Å; A555-G559 PolarHBondContact O-N 2.87Å; A555-W560 HydrophobicContact CB-CB 4.11Å; A555-W560 HydrophobicContact CB-CE3 3.99Å; A555-W560 PolarHBondContact O-N 2.97Å; A555-L562 HydrophobicContact CB-CD1 3.3Å; A555-L562 HydrophobicContact CB-CD2 4.13Å; A555-L562 HydrophobicContact CB-CG 3.73Å
556	S	91.5	Very high	91.5	Very high	71 Å²	71	62.6 Å²	62.6	50%	0.497	33%	0.327	S	S	.	.	H	α-helix	trans	-65.4	-39.5	176.3	-65	0	0	0	0	112.1	N552 R553 R558 G559	N552-S556 VanDerWaalsContact O-CB 3.23Å; N552-S556 WeakPolarHBondContact O-CB 3.27Å; N552-S556 PolarHBondContact O-N 3.36Å; N552-S556 PolarHBondContact O-OG 3.37Å; R553-S556 PolarHBondContact O-N 2.88Å; S556-R558 PolarHBondContact O-N 2.82Å; S556-G559 PolarHBondContact O-N 2.85Å
557	S	91.5	Very high	91.4	Very high	87 Å²	87	66.5 Å²	66.5	61%	0.608	35%	0.348	S	S	*	.	H	α-helix	trans	-64.2	-31.2	176	74.2	0	0	0	0	112	R553 E554	R553-S557 PolarHBondContact O-N 3.22Å; E554-S557 PolarHBondContact O-N 3.48Å; E554-S557 PolarHBondContact O-OG 2.87Å
558	R	90.6	Very high	91.1	Very high	91 Å²	91	67.4 Å²	67.4	34%	0.343	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-2.9	173.9	-61.9	172.2	-168.4	-147.5	-3.4	114	D493 E554 A555 S556 W560	D493-R558 IonicContact OD2-CZ 3.24Å; D493-R558 IonicContact OD2-NH1 3.19Å; D493-R558 PolarHBondContact OD2-NH1 2.78Å; D493-R558 IonicContact OD2-NH2 3.23Å; D493-R558 PolarHBondContact OD2-NH2 2.8Å; E554-R558 VanDerWaalsContact O-CG 3.28Å; E554-R558 WeakPolarHBondContact O-CG 3.4Å; E554-R558 PolarHBondContact O-N 3.47Å; A555-R558 CarbonylContact O-C 3.56Å; A555-R558 PolarHBondContact O-N 3.22Å; S556-R558 PolarHBondContact O-N 2.82Å; R558-W560 HydrophobicContact CB-CD2 4.32Å; R558-W560 HydrophobicContact CB-CG 4.34Å; R558-W560 HydrophobicContact CB-CZ2 4.48Å
559	G	89.1	Confident	90.8	Very high	65 Å²	65	68.4 Å²	68.4	67%	0.67	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	20.4	179.4	0	0	0	0	0	115.2	A555 S556	A555-G559 PolarHBondContact O-N 2.87Å; S556-G559 PolarHBondContact O-N 2.85Å
560	W	89	Confident	90.4	Very high	56 Å²	56	70.1 Å²	70.1	21%	0.212	37%	0.365	C	S	.	.			trans	-80.6	146.5	178.7	-61.5	-6	0	0	0	112	F486 E490 I494 A555 R558 L562	F486-W560 HydrophobicContact CB-CD2 4.19Å; F486-W560 HydrophobicContact CB-CE3 3.93Å; F486-W560 HydrophobicContact CB-CH2 3.75Å; F486-W560 HydrophobicContact CB-CZ2 4Å; F486-W560 HydrophobicContact CB-CZ3 3.66Å; F486-W560 HydrophobicContact CD1-CD2 4.48Å; F486-W560 AromaticContact CD1-CE3 3.72Å; F486-W560 HydrophobicContact CD1-CE3 3.72Å; F486-W560 AromaticContact CD1-CZ3 3.83Å; F486-W560 HydrophobicContact CD1-CZ3 3.83Å; F486-W560 HydrophobicContact CG-CE3 4.09Å; F486-W560 HydrophobicContact CG-CH2 4.33Å; F486-W560 AromaticContact CG-CZ3 3.8Å; F486-W560 HydrophobicContact CG-CZ3 3.8Å; E490-W560 HydrophobicContact CB-CH2 3.33Å; E490-W560 HydrophobicContact CB-CZ2 3.5Å; E490-W560 HydrophobicContact CG-CH2 4.39Å; E490-W560 HydrophobicContact CG-CZ2 4.09Å; I494-W560 HydrophobicContact CD1-CE3 4.01Å; I494-W560 HydrophobicContact CD1-CH2 3.66Å; I494-W560 HydrophobicContact CD1-CZ3 3.24Å; I494-W560 HydrophobicContact CG1-CH2 4.32Å; I494-W560 HydrophobicContact CG1-CZ3 4.29Å; A555-W560 HydrophobicContact CB-CB 4.11Å; A555-W560 HydrophobicContact CB-CE3 3.99Å; A555-W560 PolarHBondContact O-N 2.97Å; R558-W560 HydrophobicContact CB-CD2 4.32Å; R558-W560 HydrophobicContact CB-CG 4.34Å; R558-W560 HydrophobicContact CB-CZ2 4.48Å; W560-L562 HydrophobicContact CB-CD2 4.42Å; W560-L562 HydrophobicContact CE3-CD2 4.46Å
561	K	90.2	Very high	90.1	Very high	193 Å²	193	73.3 Å²	73.3	84%	0.839	39%	0.387	S	S	*	.			trans	-101.9	116.3	170.2	-64.7	-174.6	-179.8	-175.8	0	108.5
562	L	91.9	Very high	89.8	Confident	39 Å²	39	73.1 Å²	73.1	20%	0.204	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	143.9	-179.3	-58.7	-176.4	0	0	0	111.1	I482 K483 F486 I551 A555 W560 I564	I482-L562 HydrophobicContact CG2-CB 4.24Å; I482-L562 HydrophobicContact CG2-CD1 3.85Å; I482-L562 HydrophobicContact CG2-CD2 3.98Å; I482-L562 HydrophobicContact CG2-CG 4.25Å; K483-L562 CarbonylContact O-C 3.59Å; K483-L562 WeakPolarHBondContact O-CA 3.19Å; F486-L562 HydrophobicContact CD1-CD2 4.05Å; F486-L562 HydrophobicContact CE1-CD2 3.7Å; I551-L562 HydrophobicContact CG2-CD1 4.09Å; A555-L562 HydrophobicContact CB-CD1 3.3Å; A555-L562 HydrophobicContact CB-CD2 4.13Å; A555-L562 HydrophobicContact CB-CG 3.73Å; W560-L562 HydrophobicContact CB-CD2 4.42Å; W560-L562 HydrophobicContact CE3-CD2 4.46Å; L562-I564 HydrophobicContact CB-CD1 4.36Å; L562-I564 HydrophobicContact CB-CG1 4.02Å; L562-I564 HydrophobicContact CD1-CD1 4.4Å
563	D	93.3	Very high	89.4	Confident	110 Å²	110	70.5 Å²	70.5	59%	0.588	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	111.1	164.6	-177.6	17.9	0	0	0	107.6	I482 K483	I482-D563 WeakPolarHBondContact CA-O 3.43Å; K483-D563 HydrophobicContact CB-CB 4.32Å; K483-D563 PolarHBondContact N-O 3.46Å; K483-D563 PolarHBondContact O-N 3.26Å
564	I	92.5	Very high	89	Confident	42 Å²	42	68.3 Å²	68.3	22%	0.215	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.4	-172.1	-56.6	177.2	0	0	0	108.2	L480 I482 Q548 N552 L562	L480-I564 HydrophobicContact CD1-CG2 3.71Å; I482-I564 HydrophobicContact CG1-CG1 4.31Å; I482-I564 HydrophobicContact CG1-CG2 4.34Å; I482-I564 HydrophobicContact CG2-CG1 4.4Å; Q548-I564 HydrophobicContact CG-CD1 4.47Å; Q548-I564 HydrophobicContact CG-CG2 4.18Å; N552-I564 HydrophobicContact CB-CD1 4.19Å; L562-I564 HydrophobicContact CB-CD1 4.36Å; L562-I564 HydrophobicContact CB-CG1 4.02Å; L562-I564 HydrophobicContact CD1-CD1 4.4Å
565	S	91.9	Very high	88.9	Confident	57 Å²	57	69.5 Å²	69.5	40%	0.399	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	146.1	177.2	57.4	0	0	0	0	110.7	S481	S481-S565 WeakPolarHBondContact CB-OG 3.4Å; S481-S565 PolarHBondContact N-O 2.82Å; S481-S565 PolarHBondContact O-N 3.36Å; S481-S565 PolarHBondContact O-OG 3.04Å; S481-S565 VanDerWaalsContact O-OG 3.06Å
566	Y	86.1	Confident	88.7	Confident	143 Å²	143	70.1 Å²	70.1	56%	0.561	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	142.3	-179.3	51.9	-92.3	0	0	0	110.7	K479 V568	K479-Y566 CarbonylContact O-C 3.56Å; K479-Y566 WeakPolarHBondContact O-CA 3.47Å; Y566-V568 HydrophobicContact CD2-CG2 4.25Å
567	D	89.8	Confident	88.5	Confident	109 Å²	109	67.5 Å²	67.5	58%	0.583	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	114.4	168.7	-178.2	11	0	0	0	107	N478 K479	N478-D567 CarbonylContact C-O 3.52Å; N478-D567 WeakPolarHBondContact CA-O 3.46Å; K479-D567 HydrophobicContact CB-CB 4.22Å; K479-D567 PolarHBondContact N-O 3.49Å; K479-D567 PolarHBondContact O-N 3.04Å
568	V	86.8	Confident	88.3	Confident	20 Å²	20	68.3 Å²	68.3	12%	0.121	36%	0.358	C	S	.	.			trans	-115.2	122.2	-169.9	174.5	0	0	0	0	108.2	N478 L541 Y566 M649	N478-V568 VanDerWaalsContact OD1-CA 3.32Å; N478-V568 WeakPolarHBondContact OD1-CA 3.27Å; N478-V568 VanDerWaalsContact OD1-CG1 3.31Å; N478-V568 WeakPolarHBondContact OD1-CG1 3.5Å; L541-V568 HydrophobicContact CD1-CG1 4.02Å; L541-V568 HydrophobicContact CD1-CG2 3.93Å; L541-V568 HydrophobicContact CD2-CG1 4.38Å; Y566-V568 HydrophobicContact CD2-CG2 4.25Å; V568-M649 HydrophobicContact CB-CE 3.21Å; V568-M649 HydrophobicContact CG1-CE 3.11Å; V568-M649 HydrophobicContact CG2-CE 4.16Å
569	N	87.6	Confident	88.3	Confident	56 Å²	56	66.8 Å²	66.8	30%	0.299	36%	0.356	S	S	.	.			trans	-91.1	116	-178.5	-176.1	-19.2	0	0	0	109.6	Q477 N478 S571 T572	Q477-N569 VanDerWaalsContact O-CB 3.27Å; Q477-N569 WeakPolarHBondContact O-CB 3.37Å; N478-N569 PolarHBondContact OD1-N 3.47Å; N569-S571 PolarHBondContact O-N 2.9Å; N569-S571 VanDerWaalsContact OD1-CB 3.25Å; N569-S571 WeakPolarHBondContact OD1-CB 3.37Å; N569-S571 PolarHBondContact OD1-N 3.36Å; N569-S571 PolarHBondContact OD1-OG 3.07Å; N569-S571 VanDerWaalsContact OD1-OG 3.1Å; N569-T572 HydrophobicContact CB-CG2 3.91Å; N569-T572 WeakPolarHBondContact O-CB 3.32Å; N569-T572 VanDerWaalsContact O-CG2 3.26Å; N569-T572 WeakPolarHBondContact O-CG2 3.12Å; N569-T572 PolarHBondContact O-N 3.07Å; N569-T572 PolarHBondContact O-OG1 3.03Å
570	Q	82.4	Confident	88.2	Confident	129 Å²	129	63.8 Å²	63.8	60%	0.603	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.3	-178.6	-60.6	-176.9	-9.7	0	0	113.2	T572 P574 Y645	Q570-T572 PolarHBondContact O-N 2.74Å; Q570-P574 WeakPolarHBondContact O-CD 3.42Å; Q570-Y645 WeakPolarHBondContact CB-OH 3.13Å; Q570-Y645 WeakPolarHBondContact CG-OH 3.5Å
571	S	87	Confident	88	Confident	69 Å²	69	61.9 Å²	61.9	48%	0.483	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-12.1	179.1	-44.2	0	0	0	0	113.2	N569 V573 P574 F575	N569-S571 PolarHBondContact O-N 2.9Å; N569-S571 VanDerWaalsContact OD1-CB 3.25Å; N569-S571 WeakPolarHBondContact OD1-CB 3.37Å; N569-S571 PolarHBondContact OD1-N 3.36Å; N569-S571 PolarHBondContact OD1-OG 3.07Å; N569-S571 VanDerWaalsContact OD1-OG 3.1Å; S571-V573 VanDerWaalsContact C-N 3.33Å; S571-V573 PolarHBondContact O-N 3.35Å; S571-P574 WeakPolarHBondContact O-CD 3.35Å; S571-F575 WeakPolarHBondContact O-CB 3.43Å; S571-F575 PolarHBondContact O-N 3.07Å
572	T	86.9	Confident	87.9	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-66.4	-36	-179.9	65.3	0	0	0	0	112.2	P476 N478 D539 N569 Q570 F575 V576	P476-T572 HydrophobicContact CB-CG2 4.04Å; P476-T572 HydrophobicContact CG-CG2 4.34Å; P476-T572 VanDerWaalsContact O-CG2 3.23Å; P476-T572 WeakPolarHBondContact O-CG2 3.41Å; N478-T572 WeakPolarHBondContact ND2-CG2 3.27Å; N478-T572 PolarHBondContact ND2-OG1 2.72Å; D539-T572 WeakPolarHBondContact O-CB 3.37Å; N569-T572 HydrophobicContact CB-CG2 3.91Å; N569-T572 WeakPolarHBondContact O-CB 3.32Å; N569-T572 VanDerWaalsContact O-CG2 3.26Å; N569-T572 WeakPolarHBondContact O-CG2 3.12Å; N569-T572 PolarHBondContact O-N 3.07Å; N569-T572 PolarHBondContact O-OG1 3.03Å; Q570-T572 PolarHBondContact O-N 2.74Å; T572-F575 WeakPolarHBondContact O-CB 3.49Å; T572-F575 PolarHBondContact O-N 3.19Å; T572-V576 WeakPolarHBondContact O-CG2 3.47Å; T572-V576 PolarHBondContact O-N 2.8Å
573	V	83.2	Confident	87.6	Confident	15 Å²	15	63.4 Å²	63.4	9%	0.091	32%	0.324	C	S	.	.	H	α-helix	trans	-66.7	-52.8	-176.5	173.8	0	0	0	0	111.6	S571 F575 V576 L577 Y645 F677	S571-V573 VanDerWaalsContact C-N 3.33Å; S571-V573 PolarHBondContact O-N 3.35Å; V573-F575 PolarHBondContact O-N 3.46Å; V573-V576 PolarHBondContact O-N 2.67Å; V573-L577 HydrophobicContact CG1-CD1 4.11Å; V573-L577 WeakPolarHBondContact O-CG 3.13Å; V573-L577 PolarHBondContact O-N 3.24Å; V573-Y645 HydrophobicContact CG2-CD2 3.66Å; V573-Y645 HydrophobicContact CG2-CE2 3.78Å; V573-Y645 HydrophobicContact CG2-CG 4.27Å; V573-F677 HydrophobicContact CG1-CB 3.69Å; V573-F677 HydrophobicContact CG1-CD1 3.3Å; V573-F677 HydrophobicContact CG1-CD2 4.27Å; V573-F677 HydrophobicContact CG1-CE1 3.93Å; V573-F677 HydrophobicContact CG1-CG 3.49Å; V573-F677 VanDerWaalsContact CG1-CG 3.49Å
574	P	85.5	Confident	87.2	Confident	52 Å²	52	58.2 Å²	58.2	34%	0.338	30%	0.296	S	S	.	.	H	α-helix	trans	-57	-37	172.7	-24.5	33.2	0	0	0	112.9	Q570 S571 L577 N578 L674	Q570-P574 WeakPolarHBondContact O-CD 3.42Å; S571-P574 WeakPolarHBondContact O-CD 3.35Å; P574-L577 PolarHBondContact O-N 3.19Å; P574-N578 WeakPolarHBondContact O-CB 3.35Å; P574-N578 PolarHBondContact O-N 3.44Å; P574-L674 HydrophobicContact CB-CD2 4.06Å; P574-L674 HydrophobicContact CG-CD2 4.29Å
575	F	89.2	Confident	86.9	Confident	54 Å²	54	62.6 Å²	62.6	24%	0.237	31%	0.31	C	S	.	.	H	α-helix	trans	-63.7	-48.6	178.5	178.4	-94.5	0	0	0	112.4	R475 P476 D539 S571 T572 V573 N578 L579	R475-F575 HydrophobicContact CB-CE1 4.39Å; R475-F575 HydrophobicContact CB-CZ 4.17Å; R475-F575 HydrophobicContact CG-CE1 4.23Å; R475-F575 HydrophobicContact CG-CE2 4.26Å; R475-F575 HydrophobicContact CG-CZ 3.65Å; P476-F575 HydrophobicContact CG-CB 3.59Å; P476-F575 HydrophobicContact CG-CD1 4.16Å; P476-F575 HydrophobicContact CG-CD2 4.15Å; P476-F575 HydrophobicContact CG-CG 3.7Å; D539-F575 HydrophobicContact CB-CD1 4.19Å; D539-F575 HydrophobicContact CB-CE1 4.13Å; S571-F575 WeakPolarHBondContact O-CB 3.43Å; S571-F575 PolarHBondContact O-N 3.07Å; T572-F575 WeakPolarHBondContact O-CB 3.49Å; T572-F575 PolarHBondContact O-N 3.19Å; V573-F575 PolarHBondContact O-N 3.46Å; F575-N578 PolarHBondContact O-N 2.95Å; F575-L579 PolarHBondContact O-N 3Å
576	V	87.8	Confident	86.5	Confident	14 Å²	14	66.5 Å²	66.5	9%	0.085	32%	0.32	C	S	.	.	H	α-helix	trans	-63.9	-42.1	177.6	173.7	0	0	0	0	110.9	T523 D539 T572 V573 N578 L579 I580	T523-V576 HydrophobicContact CG2-CG1 4.37Å; T523-V576 HydrophobicContact CG2-CG2 3.95Å; D539-V576 VanDerWaalsContact O-CG2 3.23Å; D539-V576 WeakPolarHBondContact O-CG2 3.34Å; T572-V576 WeakPolarHBondContact O-CG2 3.47Å; T572-V576 PolarHBondContact O-N 2.8Å; V573-V576 PolarHBondContact O-N 2.67Å; V576-N578 VanDerWaalsContact C-N 3.31Å; V576-N578 PolarHBondContact O-N 3.42Å; V576-L579 WeakPolarHBondContact O-CB 3.23Å; V576-L579 PolarHBondContact O-N 3.43Å; V576-L579 VanDerWaalsContact O-N 3.16Å; V576-I580 WeakPolarHBondContact O-CG1 3.3Å; V576-I580 PolarHBondContact O-N 3.03Å; V576-I580 VanDerWaalsContact O-N 3.14Å
577	L	85.6	Confident	86.5	Confident	16 Å²	16	61.3 Å²	61.3	8%	0.084	30%	0.299	C	S	.	.	H	α-helix	trans	-59.7	-41.6	175.3	-71.2	174.1	0	0	0	111.8	V573 P574 I580 S581 L638 L674 F677	V573-L577 HydrophobicContact CG1-CD1 4.11Å; V573-L577 WeakPolarHBondContact O-CG 3.13Å; V573-L577 PolarHBondContact O-N 3.24Å; P574-L577 PolarHBondContact O-N 3.19Å; L577-I580 HydrophobicContact CD2-CD1 4.28Å; L577-I580 WeakPolarHBondContact O-CG1 3.4Å; L577-I580 PolarHBondContact O-N 3.38Å; L577-S581 WeakPolarHBondContact O-CB 3.39Å; L577-S581 PolarHBondContact O-N 3.18Å; L577-L638 HydrophobicContact CD2-CD2 4.04Å; L577-L674 HydrophobicContact CD1-CD2 3.81Å; L577-L674 HydrophobicContact CD1-CG 4.36Å; L577-F677 HydrophobicContact CD1-CD2 3.75Å; L577-F677 HydrophobicContact CD1-CE2 4.16Å; L577-F677 HydrophobicContact CD1-CG 4.31Å; L577-F677 HydrophobicContact CD2-CD2 4.29Å; L577-F677 HydrophobicContact CD2-CE2 3.86Å; L577-F677 HydrophobicContact CG-CE2 4.46Å
578	N	89.1	Confident	86.2	Confident	103 Å²	103	56.3 Å²	56.3	55%	0.551	27%	0.273	S	S	*	.	H	α-helix	trans	-66.5	-37.7	175.4	-174.7	55.4	0	0	0	112	P574 F575 V576 I580 S581	P574-N578 WeakPolarHBondContact O-CB 3.35Å; P574-N578 PolarHBondContact O-N 3.44Å; F575-N578 PolarHBondContact O-N 2.95Å; V576-N578 VanDerWaalsContact C-N 3.31Å; V576-N578 PolarHBondContact O-N 3.42Å; N578-I580 VanDerWaalsContact C-N 3.32Å; N578-I580 PolarHBondContact O-N 2.76Å; N578-S581 WeakPolarHBondContact O-CB 3.38Å; N578-S581 PolarHBondContact O-N 3.14Å; N578-S581 PolarHBondContact O-OG 3.19Å
579	L	88.6	Confident	86.1	Confident	59 Å²	59	58.5 Å²	58.5	31%	0.309	29%	0.289	S	S	.	.	H	α-helix	trans	-63.6	-36.2	179.1	-172	64.5	0	0	0	112.9	T521 T523 F575 V576	T521-L579 WeakPolarHBondContact O-CD2 3.41Å; T523-L579 HydrophobicContact CG2-CD2 4.2Å; F575-L579 PolarHBondContact O-N 3Å; V576-L579 WeakPolarHBondContact O-CB 3.23Å; V576-L579 PolarHBondContact O-N 3.43Å; V576-L579 VanDerWaalsContact O-N 3.16Å
580	I	87.8	Confident	85.7	Confident	3 Å²	3	58 Å²	58	2%	0.015	29%	0.286	C	S	.	.	H	α-helix	trans	-94	-8.5	-178.9	67	-176.8	0	0	0	113.5	V576 L577 N578 E582 R583 L584 M634 L638	V576-I580 WeakPolarHBondContact O-CG1 3.3Å; V576-I580 PolarHBondContact O-N 3.03Å; V576-I580 VanDerWaalsContact O-N 3.14Å; L577-I580 HydrophobicContact CD2-CD1 4.28Å; L577-I580 WeakPolarHBondContact O-CG1 3.4Å; L577-I580 PolarHBondContact O-N 3.38Å; N578-I580 VanDerWaalsContact C-N 3.32Å; N578-I580 PolarHBondContact O-N 2.76Å; I580-E582 PolarHBondContact O-N 3.08Å; I580-R583 PolarHBondContact O-N 3.44Å; I580-R583 VanDerWaalsContact O-N 3.15Å; I580-L584 HydrophobicContact CD1-CD1 3.82Å; I580-L584 HydrophobicContact CG1-CD1 3.84Å; I580-L584 HydrophobicContact CG1-CG 4.34Å; I580-L584 PolarHBondContact O-N 3.01Å; I580-M634 HydrophobicContact CB-CE 3.92Å; I580-M634 HydrophobicContact CD1-CE 3.32Å; I580-M634 HydrophobicContact CG1-CE 4.13Å; I580-M634 HydrophobicContact CG2-CE 3.83Å; I580-L638 HydrophobicContact CD1-CD1 3.87Å; I580-L638 HydrophobicContact CD1-CD2 3.79Å; I580-L638 HydrophobicContact CD1-CG 4.26Å
581	S	86.1	Confident	85.7	Confident	15 Å²	15	53.1 Å²	53.1	11%	0.105	26%	0.264	C	S	.	.	H	α-helix	trans	-51.4	-50.3	-172.4	60.9	0	0	0	0	113.4	L577 N578 R583 L584 R585 Y668	L577-S581 WeakPolarHBondContact O-CB 3.39Å; L577-S581 PolarHBondContact O-N 3.18Å; N578-S581 WeakPolarHBondContact O-CB 3.38Å; N578-S581 PolarHBondContact O-N 3.14Å; N578-S581 PolarHBondContact O-OG 3.19Å; S581-R583 VanDerWaalsContact C-N 3.35Å; S581-R583 PolarHBondContact O-N 3.17Å; S581-L584 PolarHBondContact O-N 3.32Å; S581-R585 VanDerWaalsContact O-CB 3.32Å; S581-R585 WeakPolarHBondContact O-CB 3.25Å; S581-R585 PolarHBondContact O-N 3Å; S581-Y668 WeakPolarHBondContact CB-OH 2.86Å
582	E	86.1	Confident	85.4	Confident	151 Å²	151	55.5 Å²	55.5	71%	0.706	27%	0.265	S	S	*	.	H	α-helix	trans	-64.2	-40.8	-177.8	-171.8	179.9	-179.8	0	0	111.6	I580 R585 K586	I580-E582 PolarHBondContact O-N 3.08Å; E582-R585 PolarHBondContact O-N 2.81Å; E582-K586 WeakPolarHBondContact O-CB 3.5Å; E582-K586 PolarHBondContact O-N 3.37Å
583	R	85.8	Confident	84.9	Confident	114 Å²	114	56.5 Å²	56.5	43%	0.43	27%	0.271	S	S	.	.	H	α-helix	trans	-66.3	-48	177.9	-64.7	-179.1	-178.1	-177.9	-2.6	111	F520 I580 S581 R585 K586 W587	F520-R583 PolarHBondContact O-NH1 2.89Å; I580-R583 PolarHBondContact O-N 3.44Å; I580-R583 VanDerWaalsContact O-N 3.15Å; S581-R583 VanDerWaalsContact C-N 3.35Å; S581-R583 PolarHBondContact O-N 3.17Å; R583-R585 VanDerWaalsContact C-N 3.34Å; R583-R585 PolarHBondContact O-N 2.7Å; R583-K586 PolarHBondContact O-N 3.4Å; R583-W587 HydrophobicContact CB-CE3 4.43Å; R583-W587 HydrophobicContact CB-CH2 4.16Å; R583-W587 HydrophobicContact CB-CZ2 4.25Å; R583-W587 HydrophobicContact CB-CZ3 4.22Å; R583-W587 WeakPolarHBondContact O-CB 3.43Å; R583-W587 PolarHBondContact O-N 2.68Å
584	L	84.8	Confident	84.5	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-43.6	176.9	-72.4	178.8	0	0	0	111.7	I580 S581 W587 S588 M631 M634 L638 I665 Y668	I580-L584 HydrophobicContact CD1-CD1 3.82Å; I580-L584 HydrophobicContact CG1-CD1 3.84Å; I580-L584 HydrophobicContact CG1-CG 4.34Å; I580-L584 PolarHBondContact O-N 3.01Å; S581-L584 PolarHBondContact O-N 3.32Å; L584-W587 HydrophobicContact CD2-CE3 4.1Å; L584-W587 HydrophobicContact CD2-CZ3 4.33Å; L584-W587 PolarHBondContact O-N 3.49Å; L584-S588 WeakPolarHBondContact O-CB 3.38Å; L584-S588 PolarHBondContact O-N 2.82Å; L584-M631 HydrophobicContact CD2-SD 3.87Å; L584-M634 HydrophobicContact CD2-CB 4.13Å; L584-M634 HydrophobicContact CD2-CG 4.02Å; L584-L638 HydrophobicContact CD1-CD1 4.4Å; L584-I665 HydrophobicContact CD2-CG2 4.2Å; L584-Y668 HydrophobicContact CB-CD2 3.49Å; L584-Y668 VanDerWaalsContact CB-CD2 3.49Å; L584-Y668 HydrophobicContact CB-CE2 3.84Å; L584-Y668 HydrophobicContact CB-CG 4.42Å; L584-Y668 HydrophobicContact CD1-CD2 4.09Å; L584-Y668 HydrophobicContact CD1-CE2 4.17Å; L584-Y668 HydrophobicContact CG-CD2 4.46Å
585	R	86.4	Confident	83.8	Confident	134 Å²	134	59 Å²	59	51%	0.506	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-46.6	176.4	-171.2	-175.9	-61.1	153.7	1.6	111.4	S581 E582 R583 S589 Y668 E670	S581-R585 VanDerWaalsContact O-CB 3.32Å; S581-R585 WeakPolarHBondContact O-CB 3.25Å; S581-R585 PolarHBondContact O-N 3Å; E582-R585 PolarHBondContact O-N 2.81Å; R583-R585 VanDerWaalsContact C-N 3.34Å; R583-R585 PolarHBondContact O-N 2.7Å; R585-S589 VanDerWaalsContact O-CB 3.29Å; R585-S589 WeakPolarHBondContact O-CB 2.97Å; R585-S589 PolarHBondContact O-N 3.41Å; R585-Y668 HydrophobicContact CB-CD1 4.05Å; R585-Y668 HydrophobicContact CB-CE1 4.18Å; R585-Y668 HydrophobicContact CB-CG 4.47Å; R585-Y668 HydrophobicContact CG-CD1 4.28Å; R585-E670 IonicContact NH2-OE2 2.56Å
586	K	84.5	Confident	82.6	Confident	138 Å²	138	59.8 Å²	59.8	60%	0.6	29%	0.29	S	S	*	.	H	α-helix	trans	-60.4	-47	176.6	-175.9	178.1	179.4	179.5	0	111.2	E582 R583 S589 M590	E582-K586 WeakPolarHBondContact O-CB 3.5Å; E582-K586 PolarHBondContact O-N 3.37Å; R583-K586 PolarHBondContact O-N 3.4Å; K586-S589 PolarHBondContact O-N 3.09Å; K586-M590 HydrophobicContact CG-SD 4.09Å; K586-M590 WeakPolarHBondContact O-CB 3.37Å; K586-M590 VanDerWaalsContact O-CG 3.24Å; K586-M590 WeakPolarHBondContact O-CG 3.48Å; K586-M590 PolarHBondContact O-N 2.83Å
587	W	85.6	Confident	81.2	Confident	34 Å²	34	65.3 Å²	65.3	13%	0.129	32%	0.324	C	S	.	.	H	α-helix	trans	-64.6	-46.6	179.1	-67.9	-23.3	0	0	0	112.7	F520 R583 L584 S589 M590 L591 V627 H630 M631 M634	F520-W587 HydrophobicContact CE2-CH2 4.36Å; F520-W587 HydrophobicContact CZ-CH2 4.47Å; R583-W587 HydrophobicContact CB-CE3 4.43Å; R583-W587 HydrophobicContact CB-CH2 4.16Å; R583-W587 HydrophobicContact CB-CZ2 4.25Å; R583-W587 HydrophobicContact CB-CZ3 4.22Å; R583-W587 WeakPolarHBondContact O-CB 3.43Å; R583-W587 PolarHBondContact O-N 2.68Å; L584-W587 HydrophobicContact CD2-CE3 4.1Å; L584-W587 HydrophobicContact CD2-CZ3 4.33Å; L584-W587 PolarHBondContact O-N 3.49Å; W587-S589 VanDerWaalsContact C-N 3.35Å; W587-S589 PolarHBondContact O-N 2.95Å; W587-M590 PolarHBondContact O-N 3.14Å; W587-L591 WeakPolarHBondContact O-CG 3.49Å; W587-L591 PolarHBondContact O-N 3.35Å; W587-V627 HydrophobicContact CB-CG1 3.61Å; W587-V627 HydrophobicContact CG-CG1 3.82Å; W587-H630 HydrophobicContact CD2-CB 4.42Å; W587-H630 HydrophobicContact CE3-CB 4.47Å; W587-H630 HydrophobicContact CH2-CB 3.99Å; W587-H630 HydrophobicContact CZ2-CB 3.9Å; W587-H630 HydrophobicContact CZ3-CB 4.29Å; W587-M631 HydrophobicContact CB-CE 4.11Å; W587-M631 HydrophobicContact CB-CG 3.94Å; W587-M631 HydrophobicContact CB-SD 3.68Å; W587-M631 HydrophobicContact CD2-SD 4.43Å; W587-M631 HydrophobicContact CE3-CG 4.38Å; W587-M631 HydrophobicContact CE3-SD 3.83Å; W587-M631 HydrophobicContact CG-SD 4.44Å; W587-M634 HydrophobicContact CE3-CG 4.34Å; W587-M634 HydrophobicContact CH2-CG 4.29Å; W587-M634 HydrophobicContact CZ3-CG 3.48Å; W587-M634 VanDerWaalsContact CZ3-CG 3.48Å; W587-M634 HydrophobicContact CZ3-SD 4.29Å
588	S	84.5	Confident	79.8	Confident	5 Å²	5	66.4 Å²	66.4	4%	0.035	33%	0.33	C	S	.	.	H	α-helix	trans	-60.8	-44.1	176.2	-174.7	0	0	0	0	111.2	L584 L591 K592 E666	L584-S588 WeakPolarHBondContact O-CB 3.38Å; L584-S588 PolarHBondContact O-N 2.82Å; S588-L591 PolarHBondContact O-N 2.88Å; S588-K592 VanDerWaalsContact O-CG 3.31Å; S588-K592 WeakPolarHBondContact O-CG 3.44Å; S588-K592 PolarHBondContact O-N 2.94Å; S588-K592 WeakPolarHBondContact OG-CE 3.14Å; S588-K592 PolarHBondContact OG-NZ 3.12Å; S588-E666 PolarHBondContact OG-O 2.89Å
589	S	83.5	Confident	78.3	Confident	66 Å²	66	66.6 Å²	66.6	46%	0.462	33%	0.33	S	S	.	.	H	α-helix	trans	-60.7	-46.6	175.2	-170.2	0	0	0	0	111.9	R585 K586 W587 L591 K592 T593	R585-S589 VanDerWaalsContact O-CB 3.29Å; R585-S589 WeakPolarHBondContact O-CB 2.97Å; R585-S589 PolarHBondContact O-N 3.41Å; K586-S589 PolarHBondContact O-N 3.09Å; W587-S589 VanDerWaalsContact C-N 3.35Å; W587-S589 PolarHBondContact O-N 2.95Å; S589-L591 PolarHBondContact O-N 3.47Å; S589-K592 PolarHBondContact O-N 3.06Å; S589-T593 PolarHBondContact O-N 2.94Å; S589-T593 PolarHBondContact O-OG1 3.14Å
590	M	80.1	Confident	76.7	Confident	46 Å²	46	69.1 Å²	69.1	23%	0.227	35%	0.35	C	S	.	.	H	α-helix	trans	-62	-43.3	179.1	-75.7	177.6	70.4	0	0	112.2	K586 W587 T593 I594 M623 V627	K586-M590 HydrophobicContact CG-SD 4.09Å; K586-M590 WeakPolarHBondContact O-CB 3.37Å; K586-M590 VanDerWaalsContact O-CG 3.24Å; K586-M590 WeakPolarHBondContact O-CG 3.48Å; K586-M590 PolarHBondContact O-N 2.83Å; W587-M590 PolarHBondContact O-N 3.14Å; M590-T593 PolarHBondContact O-N 2.94Å; M590-I594 WeakPolarHBondContact O-CD1 3.39Å; M590-I594 WeakPolarHBondContact O-CG1 3.22Å; M590-I594 PolarHBondContact O-N 2.89Å; M590-M623 HydrophobicContact CE-CB 4.43Å; M590-M623 HydrophobicContact CE-SD 4.42Å; M590-V627 HydrophobicContact CE-CG2 4.02Å; M590-V627 HydrophobicContact SD-CG2 4.33Å
591	L	81.4	Confident	75.3	Confident	26 Å²	26	77.8 Å²	77.8	14%	0.136	39%	0.391	C	S	.	.	H	α-helix	trans	-62.5	-45.2	177.2	-69	176.1	0	0	0	111.3	W587 S588 S589 T593 I594 D595 K624 V627 Q628 M631	W587-L591 WeakPolarHBondContact O-CG 3.49Å; W587-L591 PolarHBondContact O-N 3.35Å; S588-L591 PolarHBondContact O-N 2.88Å; S589-L591 PolarHBondContact O-N 3.47Å; L591-T593 VanDerWaalsContact C-N 3.33Å; L591-T593 PolarHBondContact O-N 2.87Å; L591-I594 PolarHBondContact O-N 3.25Å; L591-D595 WeakPolarHBondContact O-CB 3.38Å; L591-D595 PolarHBondContact O-N 2.88Å; L591-K624 HydrophobicContact CD2-CG 4Å; L591-V627 HydrophobicContact CD1-CG1 4.11Å; L591-V627 HydrophobicContact CD2-CB 4.26Å; L591-V627 HydrophobicContact CD2-CG1 3.9Å; L591-V627 HydrophobicContact CG-CG1 3.74Å; L591-Q628 HydrophobicContact CD1-CG 4.46Å; L591-Q628 HydrophobicContact CD2-CG 3.54Å; L591-M631 HydrophobicContact CD1-CE 4.35Å; L591-M631 HydrophobicContact CD1-CG 3.98Å
592	K	81.5	Confident	74.2	Confident	119 Å²	119	81.7 Å²	81.7	52%	0.517	41%	0.407	S	S	.	.	H	α-helix	trans	-58.8	-42.5	175.5	-72	171.5	-174.3	170.8	0	111.9	S588 S589 V596 E667	S588-K592 VanDerWaalsContact O-CG 3.31Å; S588-K592 WeakPolarHBondContact O-CG 3.44Å; S588-K592 PolarHBondContact O-N 2.94Å; S588-K592 WeakPolarHBondContact OG-CE 3.14Å; S588-K592 PolarHBondContact OG-NZ 3.12Å; S589-K592 PolarHBondContact O-N 3.06Å; K592-V596 VanDerWaalsContact O-CG2 3.3Å; K592-V596 WeakPolarHBondContact O-CG2 3.48Å; K592-E667 PolarHBondContact NZ-O 2.73Å
593	T	75.5	Confident	72.9	Confident	22 Å²	22	79.7 Å²	79.7	14%	0.135	40%	0.398	C	S	.	.	H	α-helix	trans	-66.1	-39.9	177.3	-54	0	0	0	0	112.1	S589 M590 L591 F610 V613	S589-T593 PolarHBondContact O-N 2.94Å; S589-T593 PolarHBondContact O-OG1 3.14Å; M590-T593 PolarHBondContact O-N 2.94Å; L591-T593 VanDerWaalsContact C-N 3.33Å; L591-T593 PolarHBondContact O-N 2.87Å; T593-F610 HydrophobicContact CG2-CD1 3.79Å; T593-F610 HydrophobicContact CG2-CE1 3.52Å; T593-F610 HydrophobicContact CG2-CG 4.49Å; T593-F610 HydrophobicContact CG2-CZ 3.97Å; T593-F610 VanDerWaalsContact O-CE1 3.28Å; T593-F610 WeakPolarHBondContact O-CE1 3.22Å; T593-V613 HydrophobicContact CG2-CG2 4.03Å
594	I	74.7	Confident	71.8	Confident	28 Å²	28	82.1 Å²	82.1	14%	0.144	41%	0.414	C	S	.	.	H	α-helix	trans	-78	-28.2	-177.3	-60.5	162.9	0	0	0	112.1	M590 L591 V596 Y620 K624	M590-I594 WeakPolarHBondContact O-CD1 3.39Å; M590-I594 WeakPolarHBondContact O-CG1 3.22Å; M590-I594 PolarHBondContact O-N 2.89Å; L591-I594 PolarHBondContact O-N 3.25Å; I594-V596 PolarHBondContact O-N 3.43Å; I594-Y620 HydrophobicContact CD1-CD1 4.34Å; I594-Y620 HydrophobicContact CG1-CD1 4.19Å; I594-K624 HydrophobicContact CD1-CB 3.98Å; I594-K624 HydrophobicContact CD1-CG 4.43Å; I594-K624 HydrophobicContact CG2-CB 4.05Å; I594-K624 HydrophobicContact CG2-CD 3.75Å; I594-K624 HydrophobicContact CG2-CG 4.03Å
595	D	71	Confident	70.9	Confident	90 Å²	90	91.2 Å²	91.2	48%	0.481	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-9.5	178	-80.5	-32.7	0	0	0	114	L591 T597 K624	L591-D595 WeakPolarHBondContact O-CB 3.38Å; L591-D595 PolarHBondContact O-N 2.88Å; D595-T597 PolarHBondContact O-N 2.89Å; D595-T597 VanDerWaalsContact O-N 3.08Å; D595-K624 WeakPolarHBondContact OD1-CE 3.07Å; D595-K624 IonicContact OD1-NZ 3.24Å; D595-K624 PolarHBondContact OD1-NZ 3.45Å
596	V	65.1	Low	69.8	Low	71 Å²	71	86 Å²	86	43%	0.43	43%	0.432	S	S	.	.			trans	-68.9	110.4	175.1	-173.1	0	0	0	0	109.8	K592 I594 I598 F610	K592-V596 VanDerWaalsContact O-CG2 3.3Å; K592-V596 WeakPolarHBondContact O-CG2 3.48Å; I594-V596 PolarHBondContact O-N 3.43Å; V596-I598 HydrophobicContact CB-CG1 4.48Å; V596-I598 HydrophobicContact CG1-CG1 3.88Å; V596-I598 PolarHBondContact O-N 3.46Å; V596-F610 HydrophobicContact CB-CD1 4.47Å; V596-F610 HydrophobicContact CB-CE1 3.71Å; V596-F610 HydrophobicContact CB-CZ 4.39Å; V596-F610 HydrophobicContact CG1-CE1 4.25Å; V596-F610 HydrophobicContact CG2-CE1 3.51Å; V596-F610 HydrophobicContact CG2-CZ 3.79Å
597	T	56.9	Low	69	Low	130 Å²	130	83 Å²	83	80%	0.798	43%	0.425	S	S	*	.			trans	-76.8	98.5	170.6	-54.6	0	0	0	0	108.6	D595	D595-T597 PolarHBondContact O-N 2.89Å; D595-T597 VanDerWaalsContact O-N 3.08Å
598	I	57.4	Low	68.3	Low	40 Å²	40	86.4 Å²	86.4	21%	0.205	45%	0.45	C	S	.	.			trans	-83.7	127	-178.6	-59.7	167.6	0	0	0	109.6	V596 E602 L606 F610 I614	V596-I598 HydrophobicContact CB-CG1 4.48Å; V596-I598 HydrophobicContact CG1-CG1 3.88Å; V596-I598 PolarHBondContact O-N 3.46Å; I598-E602 HydrophobicContact CG2-CB 4.41Å; I598-L606 HydrophobicContact CD1-CD1 4.02Å; I598-L606 HydrophobicContact CD1-CD2 3.81Å; I598-L606 HydrophobicContact CG1-CD2 4.23Å; I598-L606 HydrophobicContact CG2-CD1 4.01Å; I598-L606 HydrophobicContact CG2-CD2 3.99Å; I598-L606 HydrophobicContact CG2-CG 4.48Å; I598-F610 HydrophobicContact CD1-CB 3.97Å; I598-F610 HydrophobicContact CD1-CD1 3.81Å; I598-F610 HydrophobicContact CD1-CG 4.18Å; I598-I614 HydrophobicContact CB-CD1 4.4Å; I598-I614 HydrophobicContact CD1-CD1 3.68Å; I598-I614 HydrophobicContact CD1-CG1 4.08Å; I598-I614 HydrophobicContact CG2-CD1 4.16Å
599	L	56.9	Low	67.4	Low	106 Å²	106	91.8 Å²	91.8	56%	0.555	47%	0.474	S	S	*	.			trans	-77	143.3	172.8	-70.6	166.2	0	0	0	109.8	E601 E602	L599-E601 PolarHBondContact O-N 2.8Å; L599-E602 HydrophobicContact CB-CG 4.48Å; L599-E602 PolarHBondContact O-N 2.99Å
600	P	54.8	Low	66.6	Low	113 Å²	113	90.8 Å²	90.8	73%	0.734	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-56.2	-20.6	-177.8	-24.2	32.2	0	0	0	115	E602	P600-E602 VanDerWaalsContact C-N 3.32Å
601	E	58.7	Low	66.1	Low	185 Å²	185	93.2 Å²	93.2	86%	0.864	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-81.7	-6.2	-177.5	-59.3	-176.8	-179.9	0	0	113.5	L599	L599-E601 PolarHBondContact O-N 2.8Å
602	E	62.3	Low	65.4	Low	96 Å²	96	97.3 Å²	97.3	45%	0.449	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-107.2	-1.5	-172.5	-62.2	-177.5	152	0	0	114.2	I598 L599 P600 E604 Y605	I598-E602 HydrophobicContact CG2-CB 4.41Å; L599-E602 HydrophobicContact CB-CG 4.48Å; L599-E602 PolarHBondContact O-N 2.99Å; P600-E602 VanDerWaalsContact C-N 3.32Å; E602-E604 PolarHBondContact O-N 2.87Å; E602-E604 VanDerWaalsContact O-N 3.07Å; E602-Y605 PolarHBondContact O-N 3.42Å; E602-Y605 VanDerWaalsContact O-N 3.07Å
603	E	59.5	Low	64.7	Low	109 Å²	109	92.6 Å²	92.6	51%	0.509	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-53.7	-33.1	-175.3	-87.9	-170.4	165.7	0	0	114.3	Y605 L606 K611 I614	E603-Y605 VanDerWaalsContact C-N 3.26Å; E603-Y605 PolarHBondContact O-N 2.88Å; E603-L606 HydrophobicContact CB-CD1 4.46Å; E603-L606 HydrophobicContact CG-CD1 4.24Å; E603-L606 PolarHBondContact O-N 3.42Å; E603-K611 WeakPolarHBondContact O-CE 3.39Å; E603-I614 HydrophobicContact CG-CD1 4.35Å
604	E	61.9	Low	64.3	Low	165 Å²	165	94.5 Å²	94.5	77%	0.771	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-67.9	-27.5	-176.3	-138	171.8	-168.6	0	0	112.4	E602	E602-E604 PolarHBondContact O-N 2.87Å; E602-E604 VanDerWaalsContact O-N 3.07Å
605	Y	66.1	Low	64.1	Low	192 Å²	192	96.6 Å²	96.6	75%	0.753	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-99	-1.2	-176.1	-58	-79.9	0	0	0	114.1	E602 E603	E602-Y605 PolarHBondContact O-N 3.42Å; E602-Y605 VanDerWaalsContact O-N 3.07Å; E603-Y605 VanDerWaalsContact C-N 3.26Å; E603-Y605 PolarHBondContact O-N 2.88Å
606	L	63	Low	64.1	Low	25 Å²	25	97 Å²	97	13%	0.131	50%	0.498	C	S	.	.			trans	-70.8	140.9	-177.4	-63.7	175.4	0	0	0	112.2	I598 E603 F610 K611 I614	I598-L606 HydrophobicContact CD1-CD1 4.02Å; I598-L606 HydrophobicContact CD1-CD2 3.81Å; I598-L606 HydrophobicContact CG1-CD2 4.23Å; I598-L606 HydrophobicContact CG2-CD1 4.01Å; I598-L606 HydrophobicContact CG2-CD2 3.99Å; I598-L606 HydrophobicContact CG2-CG 4.48Å; E603-L606 HydrophobicContact CB-CD1 4.46Å; E603-L606 HydrophobicContact CG-CD1 4.24Å; E603-L606 PolarHBondContact O-N 3.42Å; L606-F610 HydrophobicContact CB-CB 4.09Å; L606-F610 HydrophobicContact CD1-CB 4.4Å; L606-F610 HydrophobicContact CD2-CB 4Å; L606-F610 HydrophobicContact CD2-CG 4.47Å; L606-F610 HydrophobicContact CG-CB 4.39Å; L606-K611 HydrophobicContact CB-CD 4.42Å; L606-K611 HydrophobicContact CB-CG 3.75Å; L606-K611 HydrophobicContact CD1-CG 4.39Å; L606-K611 WeakPolarHBondContact O-CE 3.12Å; L606-K611 PolarHBondContact O-NZ 3.15Å; L606-I614 HydrophobicContact CD1-CD1 3.18Å
607	T	68.7	Low	64.2	Low	74 Å²	74	97.6 Å²	97.6	45%	0.454	50%	0.504	S	S	.	.			trans	-63.5	160	167.9	64.6	0	0	0	0	110.1	E609 F610 K611	T607-E609 PolarHBondContact O-N 3.39Å; T607-F610 PolarHBondContact O-N 3.44Å; T607-F610 VanDerWaalsContact OG1-CD2 3.24Å; T607-F610 WeakPolarHBondContact OG1-CD2 3.42Å; T607-K611 WeakPolarHBondContact O-CG 3.34Å; T607-K611 PolarHBondContact O-N 3.21Å
608	T	70.8	Confident	64.9	Low	106 Å²	106	102.1 Å²	102.1	65%	0.65	51%	0.507	S	S	*	.	H	α-helix	trans	-52.7	-38.1	176.7	42.6	0	0	0	0	112	K611 E612	T608-K611 PolarHBondContact O-N 3.35Å; T608-E612 WeakPolarHBondContact O-CG 3.3Å; T608-E612 PolarHBondContact O-N 2.97Å
609	E	65.5	Low	65.5	Low	118 Å²	118	103.1 Å²	103.1	55%	0.551	52%	0.517	S	S	*	.	H	α-helix	trans	-61.8	-46.8	178.5	-62.6	176.7	178.7	0	0	112.8	T607 E612 V613	T607-E609 PolarHBondContact O-N 3.39Å; E609-E612 PolarHBondContact O-N 2.79Å; E609-V613 WeakPolarHBondContact O-CG2 3.41Å; E609-V613 PolarHBondContact O-N 2.79Å
610	F	67.4	Low	66.2	Low	45 Å²	45	100.1 Å²	100.1	20%	0.197	50%	0.498	C	S	.	.	H	α-helix	trans	-71.2	-32.7	177.6	-75.1	-69.8	0	0	0	112.5	T593 V596 I598 L606 T607 E612 V613 I614	T593-F610 HydrophobicContact CG2-CD1 3.79Å; T593-F610 HydrophobicContact CG2-CE1 3.52Å; T593-F610 HydrophobicContact CG2-CG 4.49Å; T593-F610 HydrophobicContact CG2-CZ 3.97Å; T593-F610 VanDerWaalsContact O-CE1 3.28Å; T593-F610 WeakPolarHBondContact O-CE1 3.22Å; V596-F610 HydrophobicContact CB-CD1 4.47Å; V596-F610 HydrophobicContact CB-CE1 3.71Å; V596-F610 HydrophobicContact CB-CZ 4.39Å; V596-F610 HydrophobicContact CG1-CE1 4.25Å; V596-F610 HydrophobicContact CG2-CE1 3.51Å; V596-F610 HydrophobicContact CG2-CZ 3.79Å; I598-F610 HydrophobicContact CD1-CB 3.97Å; I598-F610 HydrophobicContact CD1-CD1 3.81Å; I598-F610 HydrophobicContact CD1-CG 4.18Å; L606-F610 HydrophobicContact CB-CB 4.09Å; L606-F610 HydrophobicContact CD1-CB 4.4Å; L606-F610 HydrophobicContact CD2-CB 4Å; L606-F610 HydrophobicContact CD2-CG 4.47Å; L606-F610 HydrophobicContact CG-CB 4.39Å; T607-F610 PolarHBondContact O-N 3.44Å; T607-F610 VanDerWaalsContact OG1-CD2 3.24Å; T607-F610 WeakPolarHBondContact OG1-CD2 3.42Å; F610-E612 VanDerWaalsContact C-N 3.33Å; F610-V613 PolarHBondContact O-N 2.97Å; F610-I614 WeakPolarHBondContact O-CG1 3.48Å; F610-I614 PolarHBondContact O-N 2.94Å
611	K	68.4	Low	67.2	Low	97 Å²	97	99.9 Å²	99.9	42%	0.422	49%	0.491	S	S	.	.	H	α-helix	trans	-63.7	-39.2	173.4	-71.5	178.7	175.7	168.2	0	111.5	E603 L606 T607 T608 I614 S615	E603-K611 WeakPolarHBondContact O-CE 3.39Å; L606-K611 HydrophobicContact CB-CD 4.42Å; L606-K611 HydrophobicContact CB-CG 3.75Å; L606-K611 HydrophobicContact CD1-CG 4.39Å; L606-K611 WeakPolarHBondContact O-CE 3.12Å; L606-K611 PolarHBondContact O-NZ 3.15Å; T607-K611 WeakPolarHBondContact O-CG 3.34Å; T607-K611 PolarHBondContact O-N 3.21Å; T608-K611 PolarHBondContact O-N 3.35Å; K611-I614 PolarHBondContact O-N 2.92Å; K611-S615 WeakPolarHBondContact O-CB 3.4Å; K611-S615 PolarHBondContact O-N 2.92Å
612	E	68	Low	67.7	Low	113 Å²	113	94.5 Å²	94.5	53%	0.528	47%	0.473	S	S	.	.	H	α-helix	trans	-64.3	-41.6	174.3	-74.8	179.6	179.3	0	0	112	T608 E609 F610 I614 S615 N616 Y620	T608-E612 WeakPolarHBondContact O-CG 3.3Å; T608-E612 PolarHBondContact O-N 2.97Å; E609-E612 PolarHBondContact O-N 2.79Å; F610-E612 VanDerWaalsContact C-N 3.33Å; E612-I614 PolarHBondContact O-N 3.24Å; E612-S615 WeakPolarHBondContact CA-OG 3.17Å; E612-S615 PolarHBondContact O-N 3.07Å; E612-S615 PolarHBondContact O-OG 2.76Å; E612-N616 PolarHBondContact O-N 2.83Å; E612-Y620 WeakPolarHBondContact CB-OH 3.37Å; E612-Y620 VanDerWaalsContact O-CE2 3.3Å; E612-Y620 WeakPolarHBondContact O-CE2 3.48Å
613	V	65.9	Low	68.4	Low	20 Å²	20	93 Å²	93	12%	0.121	47%	0.467	C	S	.	.	H	α-helix	trans	-57.3	-47.2	175	177.8	0	0	0	0	111.7	T593 E609 F610 S615 N616 Y620	T593-V613 HydrophobicContact CG2-CG2 4.03Å; E609-V613 WeakPolarHBondContact O-CG2 3.41Å; E609-V613 PolarHBondContact O-N 2.79Å; F610-V613 PolarHBondContact O-N 2.97Å; V613-S615 VanDerWaalsContact C-N 3.34Å; V613-N616 CarbonylContact O-C 3.51Å; V613-N616 PolarHBondContact O-N 2.79Å; V613-Y620 VanDerWaalsContact CA-CE2 3.47Å; V613-Y620 HydrophobicContact CB-CD1 4.22Å; V613-Y620 HydrophobicContact CB-CD2 4.36Å; V613-Y620 HydrophobicContact CB-CE1 4.27Å; V613-Y620 HydrophobicContact CB-CE2 4.43Å; V613-Y620 HydrophobicContact CB-CG 4.24Å; V613-Y620 HydrophobicContact CG1-CD1 4.21Å; V613-Y620 HydrophobicContact CG1-CD2 4.47Å; V613-Y620 HydrophobicContact CG1-CG 4.03Å; V613-Y620 HydrophobicContact CG2-CD1 3.6Å; V613-Y620 HydrophobicContact CG2-CD2 4.48Å; V613-Y620 HydrophobicContact CG2-CE1 3.41Å; V613-Y620 VanDerWaalsContact CG2-CE1 3.41Å; V613-Y620 HydrophobicContact CG2-CE2 4.34Å; V613-Y620 HydrophobicContact CG2-CG 4.13Å
614	I	67.1	Low	69.4	Low	61 Å²	61	89.6 Å²	89.6	31%	0.313	45%	0.451	S	S	.	.	H	α-helix	trans	-67.1	-35.4	178.1	-68.6	167.5	0	0	0	111.8	I598 E603 L606 F610 K611 E612 N616 P617	I598-I614 HydrophobicContact CB-CD1 4.4Å; I598-I614 HydrophobicContact CD1-CD1 3.68Å; I598-I614 HydrophobicContact CD1-CG1 4.08Å; I598-I614 HydrophobicContact CG2-CD1 4.16Å; E603-I614 HydrophobicContact CG-CD1 4.35Å; L606-I614 HydrophobicContact CD1-CD1 3.18Å; F610-I614 WeakPolarHBondContact O-CG1 3.48Å; F610-I614 PolarHBondContact O-N 2.94Å; K611-I614 PolarHBondContact O-N 2.92Å; E612-I614 PolarHBondContact O-N 3.24Å; I614-N616 VanDerWaalsContact C-N 3.27Å; I614-N616 PolarHBondContact O-N 2.86Å; I614-P617 WeakPolarHBondContact O-CD 3.41Å
615	S	70.4	Confident	70.2	Confident	73 Å²	73	85.9 Å²	85.9	51%	0.51	44%	0.439	S	S	.	.	H	α-helix	trans	-66.1	-29.5	-179.3	75.1	0	0	0	0	112.9	K611 E612 V613	K611-S615 WeakPolarHBondContact O-CB 3.4Å; K611-S615 PolarHBondContact O-N 2.92Å; E612-S615 WeakPolarHBondContact CA-OG 3.17Å; E612-S615 PolarHBondContact O-N 3.07Å; E612-S615 PolarHBondContact O-OG 2.76Å; V613-S615 VanDerWaalsContact C-N 3.34Å
616	N	70.6	Confident	70.7	Confident	97 Å²	97	78.6 Å²	78.6	52%	0.519	42%	0.418	S	S	.	.			trans	-133.5	57.2	-174.3	-77.4	-49	0	0	0	113.3	E612 V613 I614 R618 S619 Y620	E612-N616 PolarHBondContact O-N 2.83Å; V613-N616 CarbonylContact O-C 3.51Å; V613-N616 PolarHBondContact O-N 2.79Å; I614-N616 VanDerWaalsContact C-N 3.27Å; I614-N616 PolarHBondContact O-N 2.86Å; N616-R618 VanDerWaalsContact C-N 3.26Å; N616-R618 PolarHBondContact O-N 3.4Å; N616-R618 VanDerWaalsContact O-N 3.08Å; N616-S619 PolarHBondContact O-N 3.22Å; N616-Y620 HydrophobicContact CB-CD2 4.22Å; N616-Y620 HydrophobicContact CB-CE2 4.26Å; N616-Y620 WeakPolarHBondContact O-CD2 3.28Å; N616-Y620 PolarHBondContact O-N 3.29Å
617	P	68.9	Low	71.6	Confident	85 Å²	85	77.9 Å²	77.9	55%	0.552	42%	0.415	S	S	*	.	H	α-helix	trans	-61.2	-32.8	-167.1	24.9	-33.6	0	0	0	113.1	I614 L621	I614-P617 WeakPolarHBondContact O-CD 3.41Å; P617-L621 WeakPolarHBondContact O-CB 3.22Å; P617-L621 PolarHBondContact O-N 3.21Å
618	R	69.9	Low	72.4	Confident	225 Å²	225	77.9 Å²	77.9	85%	0.849	41%	0.41	S	S	*	.	H	α-helix	trans	-67.1	-40.4	177.4	-68.7	-176.4	179.2	170.7	0.5	112.8	N616 S622	N616-R618 VanDerWaalsContact C-N 3.26Å; N616-R618 PolarHBondContact O-N 3.4Å; N616-R618 VanDerWaalsContact O-N 3.08Å; R618-S622 PolarHBondContact O-N 2.76Å; R618-S622 VanDerWaalsContact O-N 3.15Å; R618-S622 PolarHBondContact O-OG 3.35Å
619	S	71.5	Confident	72.8	Confident	60 Å²	60	73.8 Å²	73.8	42%	0.42	39%	0.387	S	S	.	.	H	α-helix	trans	-66.4	-47.1	178.5	-179.2	0	0	0	0	109.8	N616 L621 S622 M623	N616-S619 PolarHBondContact O-N 3.22Å; S619-L621 PolarHBondContact O-N 3.15Å; S619-S622 PolarHBondContact O-N 3.44Å; S619-S622 PolarHBondContact O-OG 3.26Å; S619-M623 WeakPolarHBondContact O-CG 3.41Å; S619-M623 PolarHBondContact O-N 3.38Å
620	Y	71.8	Confident	73.6	Confident	43 Å²	43	69.6 Å²	69.6	17%	0.169	37%	0.367	C	S	.	.	H	α-helix	trans	-64.9	-36.2	177.8	-77.2	-90.3	0	0	0	113.4	I594 E612 V613 N616 M623 K624	I594-Y620 HydrophobicContact CD1-CD1 4.34Å; I594-Y620 HydrophobicContact CG1-CD1 4.19Å; E612-Y620 WeakPolarHBondContact CB-OH 3.37Å; E612-Y620 VanDerWaalsContact O-CE2 3.3Å; E612-Y620 WeakPolarHBondContact O-CE2 3.48Å; V613-Y620 VanDerWaalsContact CA-CE2 3.47Å; V613-Y620 HydrophobicContact CB-CD1 4.22Å; V613-Y620 HydrophobicContact CB-CD2 4.36Å; V613-Y620 HydrophobicContact CB-CE1 4.27Å; V613-Y620 HydrophobicContact CB-CE2 4.43Å; V613-Y620 HydrophobicContact CB-CG 4.24Å; V613-Y620 HydrophobicContact CG1-CD1 4.21Å; V613-Y620 HydrophobicContact CG1-CD2 4.47Å; V613-Y620 HydrophobicContact CG1-CG 4.03Å; V613-Y620 HydrophobicContact CG2-CD1 3.6Å; V613-Y620 HydrophobicContact CG2-CD2 4.48Å; V613-Y620 HydrophobicContact CG2-CE1 3.41Å; V613-Y620 VanDerWaalsContact CG2-CE1 3.41Å; V613-Y620 HydrophobicContact CG2-CE2 4.34Å; V613-Y620 HydrophobicContact CG2-CG 4.13Å; N616-Y620 HydrophobicContact CB-CD2 4.22Å; N616-Y620 HydrophobicContact CB-CE2 4.26Å; N616-Y620 WeakPolarHBondContact O-CD2 3.28Å; N616-Y620 PolarHBondContact O-N 3.29Å; Y620-M623 HydrophobicContact CD1-CE 3.64Å; Y620-M623 HydrophobicContact CD2-CE 3.96Å; Y620-M623 HydrophobicContact CE1-CE 3.86Å; Y620-M623 HydrophobicContact CE2-CE 4.13Å; Y620-M623 HydrophobicContact CG-CE 3.73Å; Y620-M623 PolarHBondContact O-N 2.81Å; Y620-K624 WeakPolarHBondContact O-CB 3.46Å; Y620-K624 PolarHBondContact O-N 2.71Å
621	L	74.4	Confident	74.3	Confident	109 Å²	109	67.6 Å²	67.6	57%	0.571	36%	0.359	S	S	*	.	H	α-helix	trans	-63.2	-43.4	173.9	-172	66.2	0	0	0	111.8	P617 S619 M623 K624 T625	P617-L621 WeakPolarHBondContact O-CB 3.22Å; P617-L621 PolarHBondContact O-N 3.21Å; S619-L621 PolarHBondContact O-N 3.15Å; L621-M623 VanDerWaalsContact C-N 3.34Å; L621-K624 WeakPolarHBondContact O-CB 3.33Å; L621-K624 PolarHBondContact O-N 3.41Å; L621-T625 PolarHBondContact O-N 3.12Å; L621-T625 VanDerWaalsContact O-N 3.12Å; L621-T625 PolarHBondContact O-OG1 3.41Å
622	S	70.5	Confident	75	Confident	71 Å²	71	68.6 Å²	68.6	50%	0.497	37%	0.365	S	S	.	.	H	α-helix	trans	-64.2	-39.5	175.4	67.3	0	0	0	0	112.5	R618 S619 K624 T625 A626	R618-S622 PolarHBondContact O-N 2.76Å; R618-S622 VanDerWaalsContact O-N 3.15Å; R618-S622 PolarHBondContact O-OG 3.35Å; S619-S622 PolarHBondContact O-N 3.44Å; S619-S622 PolarHBondContact O-OG 3.26Å; S622-K624 VanDerWaalsContact C-N 3.35Å; S622-T625 PolarHBondContact O-N 3.28Å; S622-A626 PolarHBondContact O-N 3.04Å; S622-A626 VanDerWaalsContact O-N 3.11Å
623	M	75.3	Confident	75.6	Confident	64 Å²	64	64.1 Å²	64.1	32%	0.315	34%	0.343	S	S	.	.	H	α-helix	trans	-64.3	-39.7	174.1	-72.4	-170.7	-77.7	0	0	111.3	M590 S619 Y620 L621 A626 V627	M590-M623 HydrophobicContact CE-CB 4.43Å; M590-M623 HydrophobicContact CE-SD 4.42Å; S619-M623 WeakPolarHBondContact O-CG 3.41Å; S619-M623 PolarHBondContact O-N 3.38Å; Y620-M623 HydrophobicContact CD1-CE 3.64Å; Y620-M623 HydrophobicContact CD2-CE 3.96Å; Y620-M623 HydrophobicContact CE1-CE 3.86Å; Y620-M623 HydrophobicContact CE2-CE 4.13Å; Y620-M623 HydrophobicContact CG-CE 3.73Å; Y620-M623 PolarHBondContact O-N 2.81Å; L621-M623 VanDerWaalsContact C-N 3.34Å; M623-A626 PolarHBondContact O-N 2.88Å; M623-V627 WeakPolarHBondContact O-CB 3.38Å; M623-V627 VanDerWaalsContact O-CG2 3.24Å; M623-V627 WeakPolarHBondContact O-CG2 3.07Å; M623-V627 PolarHBondContact O-N 2.9Å
624	K	80.7	Confident	76.4	Confident	39 Å²	39	63.2 Å²	63.2	17%	0.17	34%	0.338	C	S	.	.	H	α-helix	trans	-57.2	-52.5	175.8	-168.5	-169.7	-173.5	170.4	0	111.1	L591 I594 D595 Y620 L621 S622 A626 V627 Q628	L591-K624 HydrophobicContact CD2-CG 4Å; I594-K624 HydrophobicContact CD1-CB 3.98Å; I594-K624 HydrophobicContact CD1-CG 4.43Å; I594-K624 HydrophobicContact CG2-CB 4.05Å; I594-K624 HydrophobicContact CG2-CD 3.75Å; I594-K624 HydrophobicContact CG2-CG 4.03Å; D595-K624 WeakPolarHBondContact OD1-CE 3.07Å; D595-K624 IonicContact OD1-NZ 3.24Å; D595-K624 PolarHBondContact OD1-NZ 3.45Å; Y620-K624 WeakPolarHBondContact O-CB 3.46Å; Y620-K624 PolarHBondContact O-N 2.71Å; L621-K624 WeakPolarHBondContact O-CB 3.33Å; L621-K624 PolarHBondContact O-N 3.41Å; S622-K624 VanDerWaalsContact C-N 3.35Å; K624-A626 VanDerWaalsContact C-N 3.3Å; K624-A626 PolarHBondContact O-N 3.26Å; K624-V627 PolarHBondContact O-N 3.5Å; K624-Q628 HydrophobicContact CG-CG 4.34Å; K624-Q628 WeakPolarHBondContact O-CB 3.39Å; K624-Q628 VanDerWaalsContact O-CG 3.28Å; K624-Q628 WeakPolarHBondContact O-CG 3.48Å; K624-Q628 PolarHBondContact O-N 3.44Å
625	T	79.2	Confident	77	Confident	86 Å²	86	61.7 Å²	61.7	53%	0.528	33%	0.328	S	S	.	.	H	α-helix	trans	-59.9	-41.7	-179.9	-55	0	0	0	0	111.5	L621 S622 A629	L621-T625 PolarHBondContact O-N 3.12Å; L621-T625 VanDerWaalsContact O-N 3.12Å; L621-T625 PolarHBondContact O-OG1 3.41Å; S622-T625 PolarHBondContact O-N 3.28Å; T625-A629 WeakPolarHBondContact O-CB 3.32Å; T625-A629 PolarHBondContact O-N 3.38Å; T625-A629 VanDerWaalsContact O-N 3.14Å
626	A	77.3	Confident	77.3	Confident	39 Å²	39	62.5 Å²	62.5	32%	0.322	33%	0.327	S	S	.	.	H	α-helix	trans	-62.6	-49.7	175.6	0	0	0	0	0	111.9	S622 M623 K624 Q628 A629 H630	S622-A626 PolarHBondContact O-N 3.04Å; S622-A626 VanDerWaalsContact O-N 3.11Å; M623-A626 PolarHBondContact O-N 2.88Å; K624-A626 VanDerWaalsContact C-N 3.3Å; K624-A626 PolarHBondContact O-N 3.26Å; A626-Q628 PolarHBondContact O-N 3.18Å; A626-A629 PolarHBondContact O-N 3.27Å; A626-H630 PolarHBondContact O-CD2 3.11Å; A626-H630 PolarHBondContact O-N 3.39Å
627	V	82.3	Confident	77.6	Confident	10 Å²	10	59.3 Å²	59.3	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-63.3	-41.9	180	173.2	0	0	0	0	111.7	W587 M590 L591 M623 K624 A629 H630 M631	W587-V627 HydrophobicContact CB-CG1 3.61Å; W587-V627 HydrophobicContact CG-CG1 3.82Å; M590-V627 HydrophobicContact CE-CG2 4.02Å; M590-V627 HydrophobicContact SD-CG2 4.33Å; L591-V627 HydrophobicContact CD1-CG1 4.11Å; L591-V627 HydrophobicContact CD2-CB 4.26Å; L591-V627 HydrophobicContact CD2-CG1 3.9Å; L591-V627 HydrophobicContact CG-CG1 3.74Å; M623-V627 WeakPolarHBondContact O-CB 3.38Å; M623-V627 VanDerWaalsContact O-CG2 3.24Å; M623-V627 WeakPolarHBondContact O-CG2 3.07Å; M623-V627 PolarHBondContact O-N 2.9Å; K624-V627 PolarHBondContact O-N 3.5Å; V627-A629 VanDerWaalsContact C-N 3.32Å; V627-A629 PolarHBondContact O-N 3.42Å; V627-H630 PolarHBondContact O-N 3.03Å; V627-M631 HydrophobicContact CG1-CG 4.39Å; V627-M631 WeakPolarHBondContact O-CG 3.23Å; V627-M631 PolarHBondContact O-N 2.78Å
628	Q	84.2	Confident	78.1	Confident	75 Å²	75	55.5 Å²	55.5	35%	0.35	29%	0.285	S	S	.	.	H	α-helix	trans	-57.6	-46.5	175.1	-75.9	178.6	-41.5	0	0	111.1	L591 K624 A626 H630 M631 E632	L591-Q628 HydrophobicContact CD1-CG 4.46Å; L591-Q628 HydrophobicContact CD2-CG 3.54Å; K624-Q628 HydrophobicContact CG-CG 4.34Å; K624-Q628 WeakPolarHBondContact O-CB 3.39Å; K624-Q628 VanDerWaalsContact O-CG 3.28Å; K624-Q628 WeakPolarHBondContact O-CG 3.48Å; K624-Q628 PolarHBondContact O-N 3.44Å; A626-Q628 PolarHBondContact O-N 3.18Å; Q628-H630 PolarHBondContact O-N 3.32Å; Q628-M631 WeakPolarHBondContact O-CB 3.35Å; Q628-M631 PolarHBondContact O-N 2.57Å; Q628-E632 WeakPolarHBondContact O-CG 3.5Å; Q628-E632 PolarHBondContact O-N 2.67Å
629	A	80.3	Confident	78.4	Confident	19 Å²	19	45.5 Å²	45.5	16%	0.157	25%	0.249	C	C	.	.	H	α-helix	trans	-66.5	-36.8	179	0	0	0	0	0	112.8	R430 T625 A626 V627 R633	R430-A629 VanDerWaalsContact NH1-CB 3.31Å; T625-A629 WeakPolarHBondContact O-CB 3.32Å; T625-A629 PolarHBondContact O-N 3.38Å; T625-A629 VanDerWaalsContact O-N 3.14Å; A626-A629 PolarHBondContact O-N 3.27Å; V627-A629 VanDerWaalsContact C-N 3.32Å; V627-A629 PolarHBondContact O-N 3.42Å; A629-R633 PolarHBondContact O-N 3.15Å; A629-R633 VanDerWaalsContact O-N 3.08Å
630	H	82.1	Confident	78.4	Confident	30 Å²	30	45.4 Å²	45.4	14%	0.139	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-40.8	172.1	-68.4	-58.1	0	0	0	112	F520 W587 A626 V627 Q628 R633 M634	F520-H630 AromaticContact CE2-ND1 3.81Å; W587-H630 HydrophobicContact CD2-CB 4.42Å; W587-H630 HydrophobicContact CE3-CB 4.47Å; W587-H630 HydrophobicContact CH2-CB 3.99Å; W587-H630 HydrophobicContact CZ2-CB 3.9Å; W587-H630 HydrophobicContact CZ3-CB 4.29Å; A626-H630 PolarHBondContact O-CD2 3.11Å; A626-H630 PolarHBondContact O-N 3.39Å; V627-H630 PolarHBondContact O-N 3.03Å; Q628-H630 PolarHBondContact O-N 3.32Å; H630-R633 PolarHBondContact O-N 3.15Å; H630-M634 WeakPolarHBondContact O-CG 3.39Å; H630-M634 PolarHBondContact O-N 3.43Å
631	M	82.7	Confident	78.4	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.02	24%	0.244	C	C	.	.	H	α-helix	trans	-64.6	-42.9	176.6	-74.5	-70.7	-107.8	0	0	111.9	L584 W587 L591 V627 Q628 R633 M634 K635	L584-M631 HydrophobicContact CD2-SD 3.87Å; W587-M631 HydrophobicContact CB-CE 4.11Å; W587-M631 HydrophobicContact CB-CG 3.94Å; W587-M631 HydrophobicContact CB-SD 3.68Å; W587-M631 HydrophobicContact CD2-SD 4.43Å; W587-M631 HydrophobicContact CE3-CG 4.38Å; W587-M631 HydrophobicContact CE3-SD 3.83Å; W587-M631 HydrophobicContact CG-SD 4.44Å; L591-M631 HydrophobicContact CD1-CE 4.35Å; L591-M631 HydrophobicContact CD1-CG 3.98Å; V627-M631 HydrophobicContact CG1-CG 4.39Å; V627-M631 WeakPolarHBondContact O-CG 3.23Å; V627-M631 PolarHBondContact O-N 2.78Å; Q628-M631 WeakPolarHBondContact O-CB 3.35Å; Q628-M631 PolarHBondContact O-N 2.57Å; M631-R633 PolarHBondContact O-N 2.82Å; M631-M634 PolarHBondContact O-N 3.27Å; M631-K635 VanDerWaalsContact O-CG 3.27Å; M631-K635 WeakPolarHBondContact O-CG 3.42Å; M631-K635 PolarHBondContact O-N 2.8Å
632	E	82.6	Confident	78.1	Confident	118 Å²	118	38.8 Å²	38.8	55%	0.551	22%	0.218	S	C	*	.	H	α-helix	trans	-57.7	-46.8	173.3	-74.4	174.9	177.9	0	0	111.7	Q628 M634 K635 D636	Q628-E632 WeakPolarHBondContact O-CG 3.5Å; Q628-E632 PolarHBondContact O-N 2.67Å; E632-M634 PolarHBondContact O-N 3.36Å; E632-K635 WeakPolarHBondContact O-CB 3.48Å; E632-K635 PolarHBondContact O-N 2.96Å; E632-K635 VanDerWaalsContact O-N 3.14Å; E632-D636 PolarHBondContact O-N 3.45Å
633	R	79.5	Confident	78	Confident	18 Å²	18	37.5 Å²	37.5	7%	0.068	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-40.8	177.1	-166.2	-174.3	-157.3	177.7	14.8	112.8	T364 T431 F520 A629 H630 M631 K635 D636 I637	T364-R633 PolarHBondContact O-NH1 3.21Å; T364-R633 VanDerWaalsContact O-NH1 3.07Å; T364-R633 PolarHBondContact OG1-NH1 3.47Å; T364-R633 VanDerWaalsContact OG1-NH1 3.13Å; T431-R633 PolarHBondContact O-NH2 3.42Å; F520-R633 HydrophobicContact CD1-CG 4.45Å; F520-R633 HydrophobicContact CE1-CB 4.11Å; F520-R633 HydrophobicContact CE1-CG 3.76Å; F520-R633 HydrophobicContact CZ-CB 3.83Å; F520-R633 VanDerWaalsContact CZ-CD 3.5Å; F520-R633 HydrophobicContact CZ-CG 3.86Å; A629-R633 PolarHBondContact O-N 3.15Å; A629-R633 VanDerWaalsContact O-N 3.08Å; H630-R633 PolarHBondContact O-N 3.15Å; M631-R633 PolarHBondContact O-N 2.82Å; R633-K635 VanDerWaalsContact C-N 3.32Å; R633-D636 PolarHBondContact O-N 3.45Å; R633-I637 HydrophobicContact CG-CD1 4.42Å; R633-I637 WeakPolarHBondContact O-CG1 3.4Å; R633-I637 PolarHBondContact O-N 3.29Å
634	M	82.2	Confident	77.5	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-62.5	-40.9	174.6	-77.7	-51.2	-64.4	0	0	111.9	F520 I580 L584 W587 H630 M631 E632 D636 I637 L638	F520-M634 HydrophobicContact CD1-SD 3.89Å; F520-M634 HydrophobicContact CE1-CG 3.91Å; F520-M634 HydrophobicContact CE1-SD 3.11Å; F520-M634 WeakPolarHBondContact CE1-SD 3.39Å; F520-M634 HydrophobicContact CZ-CG 3.78Å; F520-M634 HydrophobicContact CZ-SD 3.5Å; F520-M634 VanDerWaalsContact CZ-SD 3.5Å; I580-M634 HydrophobicContact CB-CE 3.92Å; I580-M634 HydrophobicContact CD1-CE 3.32Å; I580-M634 HydrophobicContact CG1-CE 4.13Å; I580-M634 HydrophobicContact CG2-CE 3.83Å; L584-M634 HydrophobicContact CD2-CB 4.13Å; L584-M634 HydrophobicContact CD2-CG 4.02Å; W587-M634 HydrophobicContact CE3-CG 4.34Å; W587-M634 HydrophobicContact CH2-CG 4.29Å; W587-M634 HydrophobicContact CZ3-CG 3.48Å; W587-M634 VanDerWaalsContact CZ3-CG 3.48Å; W587-M634 HydrophobicContact CZ3-SD 4.29Å; H630-M634 WeakPolarHBondContact O-CG 3.39Å; H630-M634 PolarHBondContact O-N 3.43Å; M631-M634 PolarHBondContact O-N 3.27Å; E632-M634 PolarHBondContact O-N 3.36Å; M634-D636 VanDerWaalsContact C-N 3.31Å; M634-D636 PolarHBondContact O-N 2.89Å; M634-I637 PolarHBondContact O-N 3.38Å; M634-L638 HydrophobicContact CE-CD1 4.3Å; M634-L638 HydrophobicContact CE-CG 4.34Å; M634-L638 VanDerWaalsContact O-CB 3.31Å; M634-L638 WeakPolarHBondContact O-CB 3.3Å; M634-L638 WeakPolarHBondContact O-CG 3.22Å; M634-L638 PolarHBondContact O-N 3.42Å
635	K	80.7	Confident	76.8	Confident	28 Å²	28	35.1 Å²	35.1	12%	0.122	20%	0.195	C	C	.	.	H	α-helix	trans	-59.5	-44.4	175.2	-68.7	162.6	-173.3	179.1	0	110.8	M631 E632 R633 I637 L638 S639 V662 I665 E666	M631-K635 VanDerWaalsContact O-CG 3.27Å; M631-K635 WeakPolarHBondContact O-CG 3.42Å; M631-K635 PolarHBondContact O-N 2.8Å; E632-K635 WeakPolarHBondContact O-CB 3.48Å; E632-K635 PolarHBondContact O-N 2.96Å; E632-K635 VanDerWaalsContact O-N 3.14Å; R633-K635 VanDerWaalsContact C-N 3.32Å; K635-I637 PolarHBondContact O-N 2.95Å; K635-L638 PolarHBondContact O-N 3.47Å; K635-S639 WeakPolarHBondContact O-CA 3.5Å; K635-S639 WeakPolarHBondContact O-CB 3.34Å; K635-S639 PolarHBondContact O-N 3.02Å; K635-V662 HydrophobicContact CB-CG2 4.47Å; K635-V662 HydrophobicContact CD-CG1 3.89Å; K635-V662 HydrophobicContact CG-CG1 4.49Å; K635-I665 HydrophobicContact CB-CD1 4.4Å; K635-I665 HydrophobicContact CG-CB 4.2Å; K635-I665 HydrophobicContact CG-CD1 4.1Å; K635-I665 HydrophobicContact CG-CG2 3.83Å; K635-E666 VanDerWaalsContact NZ-CD 3.33Å; K635-E666 IonicContact NZ-OE1 3.87Å; K635-E666 PolarHBondContact NZ-OE1 3.48Å
636	D	77	Confident	76.1	Confident	90 Å²	90	31.5 Å²	31.5	48%	0.481	17%	0.172	S	C	.	.	H	α-helix	trans	-61.5	-45.3	177.6	-71.4	-15.5	0	0	0	111.9	E632 R633 M634 S640	E632-D636 PolarHBondContact O-N 3.45Å; R633-D636 PolarHBondContact O-N 3.45Å; M634-D636 VanDerWaalsContact C-N 3.31Å; M634-D636 PolarHBondContact O-N 2.89Å; D636-S640 VanDerWaalsContact O-CB 3.22Å; D636-S640 WeakPolarHBondContact O-CB 3.39Å; D636-S640 PolarHBondContact O-N 2.97Å; D636-S640 PolarHBondContact O-OG 2.97Å
637	I	77.2	Confident	75.5	Confident	31 Å²	31	36.5 Å²	36.5	16%	0.159	18%	0.183	C	C	.	.	H	α-helix	trans	-66.5	-45.7	179.2	-67.3	176.1	0	0	0	111.2	F520 T521 R633 M634 K635 S641	F520-I637 HydrophobicContact CD1-CD1 3.34Å; F520-I637 HydrophobicContact CE1-CD1 3.51Å; T521-I637 HydrophobicContact CG2-CD1 4.35Å; T521-I637 HydrophobicContact CG2-CG2 4.47Å; R633-I637 HydrophobicContact CG-CD1 4.42Å; R633-I637 WeakPolarHBondContact O-CG1 3.4Å; R633-I637 PolarHBondContact O-N 3.29Å; M634-I637 PolarHBondContact O-N 3.38Å; K635-I637 PolarHBondContact O-N 2.95Å; I637-S641 WeakPolarHBondContact O-CB 3.49Å; I637-S641 PolarHBondContact O-N 3.16Å; I637-S641 PolarHBondContact O-OG 2.89Å
638	L	78.3	Confident	74.5	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-71.5	-38.9	-178.8	-70.5	178.1	0	0	0	111.9	L577 I580 L584 M634 K635 S641 C642 I665 F677	L577-L638 HydrophobicContact CD2-CD2 4.04Å; I580-L638 HydrophobicContact CD1-CD1 3.87Å; I580-L638 HydrophobicContact CD1-CD2 3.79Å; I580-L638 HydrophobicContact CD1-CG 4.26Å; L584-L638 HydrophobicContact CD1-CD1 4.4Å; M634-L638 HydrophobicContact CE-CD1 4.3Å; M634-L638 HydrophobicContact CE-CG 4.34Å; M634-L638 VanDerWaalsContact O-CB 3.31Å; M634-L638 WeakPolarHBondContact O-CB 3.3Å; M634-L638 WeakPolarHBondContact O-CG 3.22Å; M634-L638 PolarHBondContact O-N 3.42Å; K635-L638 PolarHBondContact O-N 3.47Å; L638-S641 PolarHBondContact O-N 2.69Å; L638-C642 VanDerWaalsContact O-CB 3.24Å; L638-C642 WeakPolarHBondContact O-CB 3.43Å; L638-C642 PolarHBondContact O-N 3.49Å; L638-I665 HydrophobicContact CB-CD1 3.72Å; L638-I665 HydrophobicContact CD1-CD1 3.66Å; L638-I665 HydrophobicContact CD1-CG1 3.9Å; L638-I665 HydrophobicContact CG-CD1 4.33Å; L638-F677 HydrophobicContact CB-CZ 4.31Å; L638-F677 HydrophobicContact CD2-CZ 4.17Å
639	S	75.8	Confident	73.3	Confident	15 Å²	15	37.8 Å²	37.8	11%	0.105	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-48.9	172.3	-172.9	0	0	0	0	110.7	K635 S641 C642 D643 V658	K635-S639 WeakPolarHBondContact O-CA 3.5Å; K635-S639 WeakPolarHBondContact O-CB 3.34Å; K635-S639 PolarHBondContact O-N 3.02Å; S639-S641 VanDerWaalsContact C-N 3.31Å; S639-S641 PolarHBondContact O-N 2.94Å; S639-C642 PolarHBondContact O-N 2.91Å; S639-D643 WeakPolarHBondContact O-CB 3.26Å; S639-D643 PolarHBondContact O-N 3.08Å; S639-V658 WeakPolarHBondContact OG-CG1 3.4Å
640	S	72.2	Confident	72.3	Confident	58 Å²	58	41.5 Å²	41.5	41%	0.406	20%	0.202	S	C	.	.	H	α-helix	trans	-59.3	-44.8	176.2	-59.3	0	0	0	0	111	D636 C642 L644	D636-S640 VanDerWaalsContact O-CB 3.22Å; D636-S640 WeakPolarHBondContact O-CB 3.39Å; D636-S640 PolarHBondContact O-N 2.97Å; D636-S640 PolarHBondContact O-OG 2.97Å; S640-C642 VanDerWaalsContact C-N 3.33Å; S640-C642 PolarHBondContact O-N 3.48Å; S640-L644 WeakPolarHBondContact O-CB 3.5Å; S640-L644 WeakPolarHBondContact O-CD1 3.41Å; S640-L644 WeakPolarHBondContact O-CG 3.42Å; S640-L644 PolarHBondContact O-N 3.31Å
641	S	71.7	Confident	71.2	Confident	11 Å²	11	45.5 Å²	45.5	8%	0.077	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-41.4	177.1	-56.4	0	0	0	0	111.9	S542 I637 L638 S639 Y645	S542-S641 WeakPolarHBondContact OG-CA 3.4Å; S542-S641 WeakPolarHBondContact OG-CB 3.35Å; S542-S641 PolarHBondContact OG-N 2.84Å; S542-S641 PolarHBondContact OG-OG 2.88Å; I637-S641 WeakPolarHBondContact O-CB 3.49Å; I637-S641 PolarHBondContact O-N 3.16Å; I637-S641 PolarHBondContact O-OG 2.89Å; L638-S641 PolarHBondContact O-N 2.69Å; S639-S641 VanDerWaalsContact C-N 3.31Å; S639-S641 PolarHBondContact O-N 2.94Å; S641-Y645 WeakPolarHBondContact O-CB 3.1Å; S641-Y645 PolarHBondContact O-N 3.44Å
642	C	69	Low	70.4	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.014	25%	0.254	C	S	.	.	H	α-helix	trans	-68.8	-48.1	-179.6	-165.8	0	0	0	0	111.8	L638 S639 S640 L644 Y645 K646 L661 F677 W681	L638-C642 VanDerWaalsContact O-CB 3.24Å; L638-C642 WeakPolarHBondContact O-CB 3.43Å; L638-C642 PolarHBondContact O-N 3.49Å; S639-C642 PolarHBondContact O-N 2.91Å; S640-C642 VanDerWaalsContact C-N 3.33Å; S640-C642 PolarHBondContact O-N 3.48Å; C642-L644 VanDerWaalsContact C-N 3.31Å; C642-L644 PolarHBondContact O-N 3.45Å; C642-Y645 PolarHBondContact O-N 3.4Å; C642-K646 PolarHBondContact O-N 3.41Å; C642-K646 VanDerWaalsContact O-N 3.08Å; C642-L661 HydrophobicContact CB-CD2 3.61Å; C642-F677 HydrophobicContact CB-CD1 4.17Å; C642-F677 HydrophobicContact CB-CE1 3.59Å; C642-F677 HydrophobicContact CB-CZ 3.95Å; C642-W681 VanDerWaalsContact SG-CZ2 3.52Å
643	D	67.6	Low	69.5	Low	45 Å²	45	51.6 Å²	51.6	24%	0.241	26%	0.261	C	S	.	.	H	α-helix	trans	-55.9	-47.6	174.4	-77.6	-36	0	0	0	110.4	S639 Y647 V654	S639-D643 WeakPolarHBondContact O-CB 3.26Å; S639-D643 PolarHBondContact O-N 3.08Å; D643-Y647 WeakPolarHBondContact O-CB 3.05Å; D643-Y647 PolarHBondContact O-N 3.25Å; D643-V654 WeakPolarHBondContact OD1-CB 3.49Å
644	L	65.7	Low	68.9	Low	39 Å²	39	51 Å²	51	20%	0.204	26%	0.259	C	S	.	.	H	α-helix	trans	-67.1	-43.5	-179.9	-74	169.8	0	0	0	112.6	T545 S640 C642 K646 K648	T545-L644 HydrophobicContact CG2-CD1 3.78Å; T545-L644 HydrophobicContact CG2-CD2 3.34Å; T545-L644 HydrophobicContact CG2-CG 4.16Å; S640-L644 WeakPolarHBondContact O-CB 3.5Å; S640-L644 WeakPolarHBondContact O-CD1 3.41Å; S640-L644 WeakPolarHBondContact O-CG 3.42Å; S640-L644 PolarHBondContact O-N 3.31Å; C642-L644 VanDerWaalsContact C-N 3.31Å; C642-L644 PolarHBondContact O-N 3.45Å; L644-K646 VanDerWaalsContact C-N 3.34Å; L644-K646 PolarHBondContact O-N 2.94Å; L644-K648 VanDerWaalsContact O-CB 3.26Å; L644-K648 WeakPolarHBondContact O-CB 3.48Å; L644-K648 WeakPolarHBondContact O-CG 3.25Å; L644-K648 PolarHBondContact O-N 2.99Å
645	Y	66.2	Low	68.2	Low	13 Å²	13	58 Å²	58	5%	0.051	29%	0.29	C	S	.	.	H	α-helix	trans	-57.9	-49.4	178.6	-172.3	-99.4	0	0	0	110.4	L541 Q570 V573 S641 C642 M649	L541-Y645 HydrophobicContact CD2-CD2 3.71Å; L541-Y645 HydrophobicContact CD2-CG 4.3Å; Q570-Y645 WeakPolarHBondContact CB-OH 3.13Å; Q570-Y645 WeakPolarHBondContact CG-OH 3.5Å; V573-Y645 HydrophobicContact CG2-CD2 3.66Å; V573-Y645 HydrophobicContact CG2-CE2 3.78Å; V573-Y645 HydrophobicContact CG2-CG 4.27Å; S641-Y645 WeakPolarHBondContact O-CB 3.1Å; S641-Y645 PolarHBondContact O-N 3.44Å; C642-Y645 PolarHBondContact O-N 3.4Å; Y645-M649 HydrophobicContact CD2-CG 4.42Å; Y645-M649 HydrophobicContact CE1-CG 4.45Å; Y645-M649 HydrophobicContact CE2-CG 4.24Å; Y645-M649 WeakPolarHBondContact O-CB 3.38Å; Y645-M649 VanDerWaalsContact O-CG 3.3Å; Y645-M649 WeakPolarHBondContact O-CG 3.47Å; Y645-M649 PolarHBondContact O-N 3.13Å
646	K	64.1	Low	67.8	Low	11 Å²	11	65.7 Å²	65.7	5%	0.048	33%	0.326	C	S	.	.	H	α-helix	trans	-76.1	-36.3	-179.2	-80.9	-165.8	150.4	-151.9	0	114.3	C642 L644 K648 H650 C651 Q652 V654	C642-K646 PolarHBondContact O-N 3.41Å; C642-K646 VanDerWaalsContact O-N 3.08Å; L644-K646 VanDerWaalsContact C-N 3.34Å; L644-K646 PolarHBondContact O-N 2.94Å; K646-K648 VanDerWaalsContact C-N 3.31Å; K646-K648 PolarHBondContact O-N 3.28Å; K646-H650 CarbonylContact O-C 3.53Å; K646-H650 WeakPolarHBondContact O-CA 3.21Å; K646-H650 WeakPolarHBondContact O-CB 3.37Å; K646-H650 PolarHBondContact O-N 2.53Å; K646-C651 PolarHBondContact O-N 2.94Å; K646-C651 VanDerWaalsContact O-N 3.13Å; K646-Q652 PolarHBondContact O-N 3.39Å; K646-V654 HydrophobicContact CB-CG2 3.28Å; K646-V654 HydrophobicContact CD-CB 4.38Å; K646-V654 HydrophobicContact CD-CG1 4.12Å; K646-V654 HydrophobicContact CD-CG2 3.29Å; K646-V654 HydrophobicContact CG-CG2 3.84Å
647	Y	63.2	Low	67.5	Low	143 Å²	143	64.5 Å²	64.5	56%	0.561	32%	0.318	S	S	*	.	H	α-helix	trans	-62.3	-43.6	175.2	-173.5	-97	0	0	0	110.6	D643 C651 Q652	D643-Y647 WeakPolarHBondContact O-CB 3.05Å; D643-Y647 PolarHBondContact O-N 3.25Å; Y647-C651 WeakPolarHBondContact O-CA 3.28Å; Y647-C651 PolarHBondContact O-N 3.37Å; Y647-Q652 PolarHBondContact N-O 3.42Å
648	K	61.8	Low	67.4	Low	49 Å²	49	64.7 Å²	64.7	21%	0.213	32%	0.32	C	S	.	.	H	α-helix	trans	-79.5	-35.4	-178.9	-68.5	-174.8	170.3	-177.9	0	113.8	T545 L644 K646	T545-K648 VanDerWaalsContact CG2-NZ 3.34Å; T545-K648 PolarHBondContact OG1-NZ 3.1Å; L644-K648 VanDerWaalsContact O-CB 3.26Å; L644-K648 WeakPolarHBondContact O-CB 3.48Å; L644-K648 WeakPolarHBondContact O-CG 3.25Å; L644-K648 PolarHBondContact O-N 2.99Å; K646-K648 VanDerWaalsContact C-N 3.31Å; K646-K648 PolarHBondContact O-N 3.28Å
649	M	59	Low	67.4	Low	63 Å²	63	68.7 Å²	68.7	31%	0.31	35%	0.346	S	S	.	.	H	α-helix	trans	-88	-38.6	-178.8	-73.4	-70.7	175.1	0	0	114.4	V568 Y645	V568-M649 HydrophobicContact CB-CE 3.21Å; V568-M649 HydrophobicContact CG1-CE 3.11Å; V568-M649 HydrophobicContact CG2-CE 4.16Å; Y645-M649 HydrophobicContact CD2-CG 4.42Å; Y645-M649 HydrophobicContact CE1-CG 4.45Å; Y645-M649 HydrophobicContact CE2-CG 4.24Å; Y645-M649 WeakPolarHBondContact O-CB 3.38Å; Y645-M649 VanDerWaalsContact O-CG 3.3Å; Y645-M649 WeakPolarHBondContact O-CG 3.47Å; Y645-M649 PolarHBondContact O-N 3.13Å
650	H	59.3	Low	67.5	Low	97 Å²	97	69.4 Å²	69.4	45%	0.449	35%	0.353	S	S	.	.	H	α-helix	trans	-118.6	-2.9	-167.9	-62.6	89.4	0	0	0	113	K646 Q652	K646-H650 CarbonylContact O-C 3.53Å; K646-H650 WeakPolarHBondContact O-CA 3.21Å; K646-H650 WeakPolarHBondContact O-CB 3.37Å; K646-H650 PolarHBondContact O-N 2.53Å; H650-Q652 HydrophobicContact CB-CB 4.45Å; H650-Q652 HydrophobicContact CB-CG 4.23Å; H650-Q652 PolarHBondContact O-N 3.25Å
651	C	59.5	Low	67.7	Low	114 Å²	114	66.7 Å²	66.7	77%	0.77	33%	0.334	S	S	*	.			trans	52.1	36.7	-173.1	-61.6	0	0	0	0	112.8	K646 Y647	K646-C651 PolarHBondContact O-N 2.94Å; K646-C651 VanDerWaalsContact O-N 3.13Å; Y647-C651 WeakPolarHBondContact O-CA 3.28Å; Y647-C651 PolarHBondContact O-N 3.37Å
652	Q	65.5	Low	68	Low	102 Å²	102	68.1 Å²	68.1	48%	0.477	34%	0.342	S	S	.	.			trans	-113.4	134.4	179.4	-71.9	179.2	-2.4	0	0	110.4	K646 Y647 H650	K646-Q652 PolarHBondContact O-N 3.39Å; Y647-Q652 PolarHBondContact N-O 3.42Å; H650-Q652 HydrophobicContact CB-CB 4.45Å; H650-Q652 HydrophobicContact CB-CG 4.23Å; H650-Q652 PolarHBondContact O-N 3.25Å
653	E	64.2	Low	68.5	Low	148 Å²	148	72.2 Å²	72.2	69%	0.692	36%	0.361	S	S	*	.			trans	-79.3	130.4	166.7	-70.4	-167.6	164.5	0	0	110
654	V	66.1	Low	69.1	Low	5 Å²	5	70 Å²	70	3%	0.03	35%	0.349	C	S	.	.			trans	-108.6	3.6	-173.5	-166.3	0	0	0	0	112.3	D643 K646 Q656 Q657 V658 W681	D643-V654 WeakPolarHBondContact OD1-CB 3.49Å; K646-V654 HydrophobicContact CB-CG2 3.28Å; K646-V654 HydrophobicContact CD-CB 4.38Å; K646-V654 HydrophobicContact CD-CG1 4.12Å; K646-V654 HydrophobicContact CD-CG2 3.29Å; K646-V654 HydrophobicContact CG-CG2 3.84Å; V654-Q656 PolarHBondContact O-N 2.95Å; V654-Q657 HydrophobicContact CG1-CB 3.64Å; V654-Q657 HydrophobicContact CG1-CG 4Å; V654-Q657 WeakPolarHBondContact O-CA 3.46Å; V654-Q657 WeakPolarHBondContact O-CB 3.23Å; V654-Q657 PolarHBondContact O-N 2.94Å; V654-V658 PolarHBondContact O-N 3.44Å; V654-W681 HydrophobicContact CG1-CH2 4.15Å; V654-W681 HydrophobicContact CG1-CZ2 3.88Å
655	K	69.1	Low	69.7	Low	150 Å²	150	68.2 Å²	68.2	65%	0.652	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-32.5	-175.6	-69.3	-177.5	178.6	171.6	0	114.6	Q657	K655-Q657 VanDerWaalsContact C-N 3.3Å; K655-Q657 PolarHBondContact O-N 3.38Å
656	Q	71.1	Confident	70.2	Confident	189 Å²	189	72 Å²	72	88%	0.883	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-22.7	179.1	-64.9	-175.4	-4.5	0	0	113.7	V654	V654-Q656 PolarHBondContact O-N 2.95Å
657	Q	71.2	Confident	70.8	Confident	66 Å²	66	76.5 Å²	76.5	31%	0.308	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-14	-173.7	-59.1	-89	6.1	0	0	112.5	V654 K655 P659 A660 L661 W681	V654-Q657 HydrophobicContact CG1-CB 3.64Å; V654-Q657 HydrophobicContact CG1-CG 4Å; V654-Q657 WeakPolarHBondContact O-CA 3.46Å; V654-Q657 WeakPolarHBondContact O-CB 3.23Å; V654-Q657 PolarHBondContact O-N 2.94Å; K655-Q657 VanDerWaalsContact C-N 3.3Å; K655-Q657 PolarHBondContact O-N 3.38Å; Q657-P659 VanDerWaalsContact C-N 3.3Å; Q657-A660 WeakPolarHBondContact O-CB 3.49Å; Q657-A660 PolarHBondContact O-N 3.25Å; Q657-L661 PolarHBondContact O-N 2.97Å; Q657-W681 HydrophobicContact CB-CD2 3.99Å; Q657-W681 HydrophobicContact CB-CE3 3.52Å; Q657-W681 HydrophobicContact CB-CH2 4.03Å; Q657-W681 HydrophobicContact CB-CZ2 4.48Å; Q657-W681 HydrophobicContact CB-CZ3 3.53Å; Q657-W681 VanDerWaalsContact CD-CB 3.44Å; Q657-W681 VanDerWaalsContact CD-CD2 3.46Å; Q657-W681 VanDerWaalsContact CD-CE3 3.5Å; Q657-W681 VanDerWaalsContact CD-CG 3.46Å; Q657-W681 HydrophobicContact CG-CD2 3.95Å; Q657-W681 HydrophobicContact CG-CE3 3.93Å; Q657-W681 HydrophobicContact CG-CG 4.28Å; Q657-W681 HydrophobicContact CG-CZ3 4.41Å; Q657-W681 VanDerWaalsContact OE1-CB 3.23Å
658	V	74.4	Confident	71.4	Confident	34 Å²	34	71.2 Å²	71.2	21%	0.206	36%	0.358	C	S	.	.	H	α-helix	trans	-49.3	-42.1	179.2	174.2	0	0	0	0	113	S639 V654 A660 L661 V662	S639-V658 WeakPolarHBondContact OG-CG1 3.4Å; V654-V658 PolarHBondContact O-N 3.44Å; V658-A660 VanDerWaalsContact C-N 3.34Å; V658-A660 PolarHBondContact O-N 3.41Å; V658-L661 WeakPolarHBondContact O-CB 3.37Å; V658-L661 PolarHBondContact O-N 3.3Å; V658-V662 HydrophobicContact CG1-CG2 4.26Å; V658-V662 WeakPolarHBondContact O-CG2 3.39Å; V658-V662 PolarHBondContact O-N 2.9Å
659	P	78.9	Confident	72.3	Confident	89 Å²	89	72.1 Å²	72.1	58%	0.578	37%	0.365	S	S	*	.	H	α-helix	trans	-60	-39.2	177.1	-24.9	35.9	0	0	0	114.1	Q657 L661 V662 E663	Q657-P659 VanDerWaalsContact C-N 3.3Å; P659-L661 VanDerWaalsContact C-N 3.34Å; P659-V662 PolarHBondContact O-N 3.26Å; P659-E663 PolarHBondContact O-N 2.99Å
660	A	77.6	Confident	73.2	Confident	29 Å²	29	73.1 Å²	73.1	24%	0.24	37%	0.369	C	S	.	.	H	α-helix	trans	-69.5	-34	178.7	0	0	0	0	0	111.9	Q657 V658 A664	Q657-A660 WeakPolarHBondContact O-CB 3.49Å; Q657-A660 PolarHBondContact O-N 3.25Å; V658-A660 VanDerWaalsContact C-N 3.34Å; V658-A660 PolarHBondContact O-N 3.41Å; A660-A664 WeakPolarHBondContact O-CB 3.36Å; A660-A664 PolarHBondContact O-N 3.48Å; A660-A664 VanDerWaalsContact O-N 3.09Å
661	L	76.3	Confident	74.2	Confident	2 Å²	2	74.3 Å²	74.3	1%	0.01	38%	0.375	C	S	.	.	H	α-helix	trans	-66.4	-44.4	172.1	-177.5	68.5	0	0	0	111.6	C642 Q657 V658 P659 E663 A664 I665 L673 L676 F677 W681	C642-L661 HydrophobicContact CB-CD2 3.61Å; Q657-L661 PolarHBondContact O-N 2.97Å; V658-L661 WeakPolarHBondContact O-CB 3.37Å; V658-L661 PolarHBondContact O-N 3.3Å; P659-L661 VanDerWaalsContact C-N 3.34Å; L661-E663 VanDerWaalsContact C-N 3.32Å; L661-E663 PolarHBondContact O-N 3.34Å; L661-A664 PolarHBondContact O-N 3.42Å; L661-I665 HydrophobicContact CD1-CD1 4.49Å; L661-I665 HydrophobicContact CG-CD1 4.06Å; L661-I665 VanDerWaalsContact O-CG1 3.26Å; L661-I665 WeakPolarHBondContact O-CG1 3.48Å; L661-I665 PolarHBondContact O-N 2.93Å; L661-L673 HydrophobicContact CD1-CD2 3.94Å; L661-L676 HydrophobicContact CD1-CB 4.4Å; L661-L676 HydrophobicContact CD1-CD1 4.09Å; L661-F677 HydrophobicContact CD1-CD2 4.4Å; L661-F677 HydrophobicContact CD1-CE2 3.88Å; L661-F677 HydrophobicContact CD1-CZ 4.46Å; L661-W681 HydrophobicContact CB-CH2 4.2Å; L661-W681 HydrophobicContact CB-CZ3 4.28Å
662	V	77.3	Confident	75.3	Confident	40 Å²	40	70.3 Å²	70.3	24%	0.242	35%	0.345	C	S	.	.	H	α-helix	trans	-58.2	-45.5	177	167.3	0	0	0	0	111.1	K635 V658 P659 I665 E666	K635-V662 HydrophobicContact CB-CG2 4.47Å; K635-V662 HydrophobicContact CD-CG1 3.89Å; K635-V662 HydrophobicContact CG-CG1 4.49Å; V658-V662 HydrophobicContact CG1-CG2 4.26Å; V658-V662 WeakPolarHBondContact O-CG2 3.39Å; V658-V662 PolarHBondContact O-N 2.9Å; P659-V662 PolarHBondContact O-N 3.26Å; V662-I665 PolarHBondContact O-N 3.32Å; V662-E666 WeakPolarHBondContact O-CG 3.47Å; V662-E666 PolarHBondContact O-N 3.07Å
663	E	80.4	Confident	75.9	Confident	88 Å²	88	65.6 Å²	65.6	41%	0.411	32%	0.323	S	S	.	.	H	α-helix	trans	-60.6	-46.8	176.3	-174.3	-170.1	-136.6	0	0	111.8	P659 L661 I665 E666 E667 K672	P659-E663 PolarHBondContact O-N 2.99Å; L661-E663 VanDerWaalsContact C-N 3.32Å; L661-E663 PolarHBondContact O-N 3.34Å; E663-I665 PolarHBondContact O-N 3.2Å; E663-E666 PolarHBondContact O-N 2.86Å; E663-E666 VanDerWaalsContact O-N 3.14Å; E663-E667 PolarHBondContact O-N 3.38Å; E663-K672 IonicContact OE2-NZ 2.7Å; E663-K672 PolarHBondContact OE2-NZ 2.84Å
664	A	79.5	Confident	76.6	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.7	-31	178.3	0	0	0	0	0	113.2	A660 L661 Y668 D669 K672 L673 L676	A660-A664 WeakPolarHBondContact O-CB 3.36Å; A660-A664 PolarHBondContact O-N 3.48Å; A660-A664 VanDerWaalsContact O-N 3.09Å; L661-A664 PolarHBondContact O-N 3.42Å; A664-Y668 WeakPolarHBondContact O-CA 3.48Å; A664-Y668 PolarHBondContact O-N 2.76Å; A664-D669 PolarHBondContact O-N 2.95Å; A664-K672 HydrophobicContact CB-CB 4.4Å; A664-K672 HydrophobicContact CB-CD 3.89Å; A664-K672 HydrophobicContact CB-CG 3.92Å; A664-L673 HydrophobicContact CB-CD2 3.63Å; A664-L673 HydrophobicContact CB-CG 4Å; A664-L676 HydrophobicContact CB-CD1 3.57Å
665	I	77.8	Confident	77.2	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-72.7	-42	174.7	-64.5	166.3	0	0	0	111	L584 K635 L638 L661 V662 E663 Y668 L673	L584-I665 HydrophobicContact CD2-CG2 4.2Å; K635-I665 HydrophobicContact CB-CD1 4.4Å; K635-I665 HydrophobicContact CG-CB 4.2Å; K635-I665 HydrophobicContact CG-CD1 4.1Å; K635-I665 HydrophobicContact CG-CG2 3.83Å; L638-I665 HydrophobicContact CB-CD1 3.72Å; L638-I665 HydrophobicContact CD1-CD1 3.66Å; L638-I665 HydrophobicContact CD1-CG1 3.9Å; L638-I665 HydrophobicContact CG-CD1 4.33Å; L661-I665 HydrophobicContact CD1-CD1 4.49Å; L661-I665 HydrophobicContact CG-CD1 4.06Å; L661-I665 VanDerWaalsContact O-CG1 3.26Å; L661-I665 WeakPolarHBondContact O-CG1 3.48Å; L661-I665 PolarHBondContact O-N 2.93Å; V662-I665 PolarHBondContact O-N 3.32Å; E663-I665 PolarHBondContact O-N 3.2Å; I665-Y668 PolarHBondContact O-N 3.16Å; I665-L673 HydrophobicContact CG1-CD2 3.65Å
666	E	76.7	Confident	77.6	Confident	94 Å²	94	59.1 Å²	59.1	44%	0.439	29%	0.291	S	S	.	.	H	α-helix	trans	-62.6	-44.8	178.9	-72.6	-179.4	173	0	0	112.1	S588 K635 V662 E663 Y668	S588-E666 PolarHBondContact OG-O 2.89Å; K635-E666 VanDerWaalsContact NZ-CD 3.33Å; K635-E666 IonicContact NZ-OE1 3.87Å; K635-E666 PolarHBondContact NZ-OE1 3.48Å; V662-E666 WeakPolarHBondContact O-CG 3.47Å; V662-E666 PolarHBondContact O-N 3.07Å; E663-E666 PolarHBondContact O-N 2.86Å; E663-E666 VanDerWaalsContact O-N 3.14Å; E666-Y668 VanDerWaalsContact C-N 3.3Å
667	E	77.1	Confident	77.6	Confident	104 Å²	104	50.3 Å²	50.3	49%	0.486	25%	0.25	S	C	.	.	H	α-helix	trans	-78.1	-18.7	-178.1	-64.8	-171.8	148.4	0	0	113.1	K592 E663	K592-E667 PolarHBondContact NZ-O 2.73Å; E663-E667 PolarHBondContact O-N 3.38Å
668	Y	77.4	Confident	77.7	Confident	32 Å²	32	52 Å²	52	13%	0.125	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	67.5	-167	-172.4	-97.8	0	0	0	111.6	S581 L584 R585 A664 I665 E666 E670	S581-Y668 WeakPolarHBondContact CB-OH 2.86Å; L584-Y668 HydrophobicContact CB-CD2 3.49Å; L584-Y668 VanDerWaalsContact CB-CD2 3.49Å; L584-Y668 HydrophobicContact CB-CE2 3.84Å; L584-Y668 HydrophobicContact CB-CG 4.42Å; L584-Y668 HydrophobicContact CD1-CD2 4.09Å; L584-Y668 HydrophobicContact CD1-CE2 4.17Å; L584-Y668 HydrophobicContact CG-CD2 4.46Å; R585-Y668 HydrophobicContact CB-CD1 4.05Å; R585-Y668 HydrophobicContact CB-CE1 4.18Å; R585-Y668 HydrophobicContact CB-CG 4.47Å; R585-Y668 HydrophobicContact CG-CD1 4.28Å; A664-Y668 WeakPolarHBondContact O-CA 3.48Å; A664-Y668 PolarHBondContact O-N 2.76Å; I665-Y668 PolarHBondContact O-N 3.16Å; E666-Y668 VanDerWaalsContact C-N 3.3Å; Y668-E670 HydrophobicContact CE1-CB 4.37Å; Y668-E670 PolarHBondContact OH-OE2 3.4Å
669	D	79.8	Confident	77.2	Confident	68 Å²	68	51.7 Å²	51.7	36%	0.364	27%	0.265	S	S	.	.			trans	-98.9	99.3	167.2	-176.4	-19.5	0	0	0	109.2	A664 E671 K672 L673	A664-D669 PolarHBondContact O-N 2.95Å; D669-E671 VanDerWaalsContact C-N 3.33Å; D669-E671 PolarHBondContact O-N 3.12Å; D669-E671 PolarHBondContact OD1-N 3.37Å; D669-E671 VanDerWaalsContact OD1-N 3.14Å; D669-K672 HydrophobicContact CB-CB 3.7Å; D669-K672 HydrophobicContact CB-CD 4.44Å; D669-K672 PolarHBondContact O-N 3.07Å; D669-K672 PolarHBondContact OD1-N 2.92Å; D669-K672 WeakPolarHBondContact OD2-CB 3.39Å; D669-L673 WeakPolarHBondContact O-CB 3.27Å; D669-L673 VanDerWaalsContact O-CG 3.26Å; D669-L673 WeakPolarHBondContact O-CG 3.48Å; D669-L673 PolarHBondContact O-N 2.94Å
670	E	78	Confident	76.7	Confident	84 Å²	84	51.5 Å²	51.5	39%	0.393	26%	0.259	S	S	.	.	H	α-helix	trans	-60.5	-39.7	-176.8	-171.9	173.5	153.6	0	0	112.6	R585 Y668 L674	R585-E670 IonicContact NH2-OE2 2.56Å; Y668-E670 HydrophobicContact CE1-CB 4.37Å; Y668-E670 PolarHBondContact OH-OE2 3.4Å; E670-L674 HydrophobicContact CG-CD1 4.29Å; E670-L674 WeakPolarHBondContact O-CB 3.42Å; E670-L674 WeakPolarHBondContact O-CG 3.26Å; E670-L674 PolarHBondContact O-N 3.24Å
671	E	80.7	Confident	76	Confident	122 Å²	122	50.8 Å²	50.8	57%	0.57	25%	0.25	S	C	*	.	H	α-helix	trans	-69.8	-44.1	177.6	-74.5	-165.5	-164.6	0	0	111.3	D669 L674 R675	D669-E671 VanDerWaalsContact C-N 3.33Å; D669-E671 PolarHBondContact O-N 3.12Å; D669-E671 PolarHBondContact OD1-N 3.37Å; D669-E671 VanDerWaalsContact OD1-N 3.14Å; E671-L674 PolarHBondContact O-N 2.93Å; E671-R675 WeakPolarHBondContact O-CB 3.37Å; E671-R675 VanDerWaalsContact O-CG 3.25Å; E671-R675 WeakPolarHBondContact O-CG 3.47Å; E671-R675 PolarHBondContact O-N 3.37Å; E671-R675 IonicContact OE2-CZ 3.23Å; E671-R675 IonicContact OE2-NH2 3.51Å; E671-R675 PolarHBondContact OE2-NH2 3.09Å
672	K	81.4	Confident	75.1	Confident	30 Å²	30	59.7 Å²	59.7	13%	0.13	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-47.8	175.9	-172	175.4	172.7	-178.7	0	109.7	E663 A664 D669 L674 R675 L676 I684	E663-K672 IonicContact OE2-NZ 2.7Å; E663-K672 PolarHBondContact OE2-NZ 2.84Å; A664-K672 HydrophobicContact CB-CB 4.4Å; A664-K672 HydrophobicContact CB-CD 3.89Å; A664-K672 HydrophobicContact CB-CG 3.92Å; D669-K672 HydrophobicContact CB-CB 3.7Å; D669-K672 HydrophobicContact CB-CD 4.44Å; D669-K672 PolarHBondContact O-N 3.07Å; D669-K672 PolarHBondContact OD1-N 2.92Å; D669-K672 WeakPolarHBondContact OD2-CB 3.39Å; K672-L674 PolarHBondContact O-N 3.27Å; K672-R675 PolarHBondContact O-N 3.45Å; K672-L676 HydrophobicContact CG-CD1 4.08Å; K672-L676 HydrophobicContact CG-CG 4.4Å; K672-L676 WeakPolarHBondContact O-CB 3.49Å; K672-L676 WeakPolarHBondContact O-CG 3.39Å; K672-L676 PolarHBondContact O-N 3.04Å; K672-I684 HydrophobicContact CD-CG2 3.97Å; K672-I684 HydrophobicContact CG-CD1 4.28Å; K672-I684 HydrophobicContact CG-CG2 3.82Å
673	L	79.2	Confident	73.9	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-56.2	-51.4	176.4	-73.3	171.6	0	0	0	112	L661 A664 I665 D669 R675 L676 F677	L661-L673 HydrophobicContact CD1-CD2 3.94Å; A664-L673 HydrophobicContact CB-CD2 3.63Å; A664-L673 HydrophobicContact CB-CG 4Å; I665-L673 HydrophobicContact CG1-CD2 3.65Å; D669-L673 WeakPolarHBondContact O-CB 3.27Å; D669-L673 VanDerWaalsContact O-CG 3.26Å; D669-L673 WeakPolarHBondContact O-CG 3.48Å; D669-L673 PolarHBondContact O-N 2.94Å; L673-R675 VanDerWaalsContact C-N 3.32Å; L673-R675 PolarHBondContact O-N 3.03Å; L673-L676 PolarHBondContact O-N 3.29Å; L673-F677 VanDerWaalsContact O-CD2 3.29Å; L673-F677 WeakPolarHBondContact O-CD2 3.23Å; L673-F677 PolarHBondContact O-N 2.97Å
674	L	78.4	Confident	72.5	Confident	51 Å²	51	65.1 Å²	65.1	27%	0.267	32%	0.321	S	S	.	.	H	α-helix	trans	-59.7	-41.3	178.6	-75.6	167.2	0	0	0	112.3	P574 L577 E670 E671 K672 F677 N678	P574-L674 HydrophobicContact CB-CD2 4.06Å; P574-L674 HydrophobicContact CG-CD2 4.29Å; L577-L674 HydrophobicContact CD1-CD2 3.81Å; L577-L674 HydrophobicContact CD1-CG 4.36Å; E670-L674 HydrophobicContact CG-CD1 4.29Å; E670-L674 WeakPolarHBondContact O-CB 3.42Å; E670-L674 WeakPolarHBondContact O-CG 3.26Å; E670-L674 PolarHBondContact O-N 3.24Å; E671-L674 PolarHBondContact O-N 2.93Å; K672-L674 PolarHBondContact O-N 3.27Å; L674-F677 PolarHBondContact O-N 2.95Å; L674-N678 WeakPolarHBondContact O-CB 3.46Å; L674-N678 VanDerWaalsContact O-CG 3.23Å; L674-N678 PolarHBondContact O-N 3.26Å; L674-N678 PolarHBondContact O-ND2 3.31Å
675	R	78.6	Confident	72.1	Confident	115 Å²	115	68.4 Å²	68.4	43%	0.434	34%	0.337	S	S	.	.	H	α-helix	trans	-65.1	-44	176.8	-72.5	177.4	-164.8	179.9	10.4	112.3	E671 K672 L673 F677 N678 G679 D680 I684	E671-R675 WeakPolarHBondContact O-CB 3.37Å; E671-R675 VanDerWaalsContact O-CG 3.25Å; E671-R675 WeakPolarHBondContact O-CG 3.47Å; E671-R675 PolarHBondContact O-N 3.37Å; E671-R675 IonicContact OE2-CZ 3.23Å; E671-R675 IonicContact OE2-NH2 3.51Å; E671-R675 PolarHBondContact OE2-NH2 3.09Å; K672-R675 PolarHBondContact O-N 3.45Å; L673-R675 VanDerWaalsContact C-N 3.32Å; L673-R675 PolarHBondContact O-N 3.03Å; R675-F677 PolarHBondContact O-N 2.97Å; R675-N678 PolarHBondContact O-N 2.9Å; R675-G679 PolarHBondContact O-N 2.85Å; R675-G679 VanDerWaalsContact O-N 3.08Å; R675-D680 HydrophobicContact CB-CB 4.2Å; R675-D680 PolarHBondContact O-N 3.06Å; R675-I684 HydrophobicContact CB-CD1 3.88Å
676	L	76.8	Confident	71.8	Confident	1 Å²	1	72 Å²	72	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-58.1	-48.8	175.7	-65.9	168.7	0	0	0	110.1	L661 A664 K672 L673 N678 G679 W681 I684	L661-L676 HydrophobicContact CD1-CB 4.4Å; L661-L676 HydrophobicContact CD1-CD1 4.09Å; A664-L676 HydrophobicContact CB-CD1 3.57Å; K672-L676 HydrophobicContact CG-CD1 4.08Å; K672-L676 HydrophobicContact CG-CG 4.4Å; K672-L676 WeakPolarHBondContact O-CB 3.49Å; K672-L676 WeakPolarHBondContact O-CG 3.39Å; K672-L676 PolarHBondContact O-N 3.04Å; L673-L676 PolarHBondContact O-N 3.29Å; L676-N678 VanDerWaalsContact C-N 3.35Å; L676-N678 PolarHBondContact O-N 3.2Å; L676-G679 PolarHBondContact O-N 2.96Å; L676-G679 VanDerWaalsContact O-N 3.12Å; L676-W681 HydrophobicContact CB-CD2 4.45Å; L676-W681 HydrophobicContact CB-CE3 4.14Å; L676-W681 HydrophobicContact CB-CH2 3.67Å; L676-W681 HydrophobicContact CB-CZ2 3.93Å; L676-W681 HydrophobicContact CB-CZ3 3.76Å; L676-W681 HydrophobicContact CD1-CZ3 4.24Å; L676-W681 HydrophobicContact CD2-CD2 3.81Å; L676-W681 HydrophobicContact CD2-CE3 3.03Å; L676-W681 HydrophobicContact CD2-CH2 4.05Å; L676-W681 HydrophobicContact CD2-CZ3 3.19Å; L676-W681 HydrophobicContact CG-CE3 4.09Å; L676-W681 HydrophobicContact CG-CH2 4.3Å; L676-W681 HydrophobicContact CG-CZ3 3.87Å; L676-W681 WeakPolarHBondContact O-CZ2 3.48Å; L676-W681 PolarHBondContact O-NE1 3.25Å; L676-I684 HydrophobicContact CD2-CB 4.43Å; L676-I684 HydrophobicContact CD2-CD1 3.28Å; L676-I684 HydrophobicContact CD2-CG1 4.42Å; L676-I684 HydrophobicContact CD2-CG2 4.27Å; L676-I684 HydrophobicContact CG-CD1 3.59Å
677	F	72.8	Confident	71.6	Confident	4 Å²	4	70.8 Å²	70.8	2%	0.018	35%	0.35	C	S	.	.	H	α-helix	trans	-64.5	-34.5	177.4	-86.6	-79.2	0	0	0	113.8	V573 L577 L638 C642 L661 L673 L674 R675 G679	V573-F677 HydrophobicContact CG1-CB 3.69Å; V573-F677 HydrophobicContact CG1-CD1 3.3Å; V573-F677 HydrophobicContact CG1-CD2 4.27Å; V573-F677 HydrophobicContact CG1-CE1 3.93Å; V573-F677 HydrophobicContact CG1-CG 3.49Å; V573-F677 VanDerWaalsContact CG1-CG 3.49Å; L577-F677 HydrophobicContact CD1-CD2 3.75Å; L577-F677 HydrophobicContact CD1-CE2 4.16Å; L577-F677 HydrophobicContact CD1-CG 4.31Å; L577-F677 HydrophobicContact CD2-CD2 4.29Å; L577-F677 HydrophobicContact CD2-CE2 3.86Å; L577-F677 HydrophobicContact CG-CE2 4.46Å; L638-F677 HydrophobicContact CB-CZ 4.31Å; L638-F677 HydrophobicContact CD2-CZ 4.17Å; C642-F677 HydrophobicContact CB-CD1 4.17Å; C642-F677 HydrophobicContact CB-CE1 3.59Å; C642-F677 HydrophobicContact CB-CZ 3.95Å; L661-F677 HydrophobicContact CD1-CD2 4.4Å; L661-F677 HydrophobicContact CD1-CE2 3.88Å; L661-F677 HydrophobicContact CD1-CZ 4.46Å; L673-F677 VanDerWaalsContact O-CD2 3.29Å; L673-F677 WeakPolarHBondContact O-CD2 3.23Å; L673-F677 PolarHBondContact O-N 2.97Å; L674-F677 PolarHBondContact O-N 2.95Å; R675-F677 PolarHBondContact O-N 2.97Å; F677-G679 PolarHBondContact O-N 3.32Å
678	N	71.8	Confident	71.2	Confident	100 Å²	100	68.8 Å²	68.8	54%	0.535	34%	0.342	S	S	.	.	H	α-helix	trans	-74.8	-10.1	175.6	-74.6	-22.1	0	0	0	113.9	L674 R675 L676	L674-N678 WeakPolarHBondContact O-CB 3.46Å; L674-N678 VanDerWaalsContact O-CG 3.23Å; L674-N678 PolarHBondContact O-N 3.26Å; L674-N678 PolarHBondContact O-ND2 3.31Å; R675-N678 PolarHBondContact O-N 2.9Å; L676-N678 VanDerWaalsContact C-N 3.35Å; L676-N678 PolarHBondContact O-N 3.2Å
679	G	65	Low	70.9	Confident	28 Å²	28	71.1 Å²	71.1	29%	0.289	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.7	7.1	176.4	0	0	0	0	0	115.6	R675 L676 F677 W681	R675-G679 PolarHBondContact O-N 2.85Å; R675-G679 VanDerWaalsContact O-N 3.08Å; L676-G679 PolarHBondContact O-N 2.96Å; L676-G679 VanDerWaalsContact O-N 3.12Å; F677-G679 PolarHBondContact O-N 3.32Å; G679-W681 VanDerWaalsContact C-CD1 3.4Å; G679-W681 VanDerWaalsContact C-N 3.26Å; G679-W681 VanDerWaalsContact O-CD1 3.26Å; G679-W681 PolarHBondContact O-N 2.75Å
680	D	67.5	Low	70.3	Confident	86 Å²	86	71.3 Å²	71.3	46%	0.46	36%	0.355	S	S	.	.			trans	-85.7	58.9	-179.9	-72.6	-28.1	0	0	0	112	R675 I684	R675-D680 HydrophobicContact CB-CB 4.2Å; R675-D680 PolarHBondContact O-N 3.06Å; D680-I684 VanDerWaalsContact O-CD1 3.26Å; D680-I684 WeakPolarHBondContact O-CD1 3.29Å; D680-I684 WeakPolarHBondContact O-CG1 3.4Å
681	W	63.7	Low	69.7	Low	13 Å²	13	70.4 Å²	70.4	5%	0.049	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-82.4	-15	-178.3	-55	79.8	0	0	0	113.8	C642 V654 Q657 L661 L676 G679 N683	C642-W681 VanDerWaalsContact SG-CZ2 3.52Å; V654-W681 HydrophobicContact CG1-CH2 4.15Å; V654-W681 HydrophobicContact CG1-CZ2 3.88Å; Q657-W681 HydrophobicContact CB-CD2 3.99Å; Q657-W681 HydrophobicContact CB-CE3 3.52Å; Q657-W681 HydrophobicContact CB-CH2 4.03Å; Q657-W681 HydrophobicContact CB-CZ2 4.48Å; Q657-W681 HydrophobicContact CB-CZ3 3.53Å; Q657-W681 VanDerWaalsContact CD-CB 3.44Å; Q657-W681 VanDerWaalsContact CD-CD2 3.46Å; Q657-W681 VanDerWaalsContact CD-CE3 3.5Å; Q657-W681 VanDerWaalsContact CD-CG 3.46Å; Q657-W681 HydrophobicContact CG-CD2 3.95Å; Q657-W681 HydrophobicContact CG-CE3 3.93Å; Q657-W681 HydrophobicContact CG-CG 4.28Å; Q657-W681 HydrophobicContact CG-CZ3 4.41Å; Q657-W681 VanDerWaalsContact OE1-CB 3.23Å; L661-W681 HydrophobicContact CB-CH2 4.2Å; L661-W681 HydrophobicContact CB-CZ3 4.28Å; L676-W681 HydrophobicContact CB-CD2 4.45Å; L676-W681 HydrophobicContact CB-CE3 4.14Å; L676-W681 HydrophobicContact CB-CH2 3.67Å; L676-W681 HydrophobicContact CB-CZ2 3.93Å; L676-W681 HydrophobicContact CB-CZ3 3.76Å; L676-W681 HydrophobicContact CD1-CZ3 4.24Å; L676-W681 HydrophobicContact CD2-CD2 3.81Å; L676-W681 HydrophobicContact CD2-CE3 3.03Å; L676-W681 HydrophobicContact CD2-CH2 4.05Å; L676-W681 HydrophobicContact CD2-CZ3 3.19Å; L676-W681 HydrophobicContact CG-CE3 4.09Å; L676-W681 HydrophobicContact CG-CH2 4.3Å; L676-W681 HydrophobicContact CG-CZ3 3.87Å; L676-W681 WeakPolarHBondContact O-CZ2 3.48Å; L676-W681 PolarHBondContact O-NE1 3.25Å; G679-W681 VanDerWaalsContact C-CD1 3.4Å; G679-W681 VanDerWaalsContact C-N 3.26Å; G679-W681 VanDerWaalsContact O-CD1 3.26Å; G679-W681 PolarHBondContact O-N 2.75Å; W681-N683 VanDerWaalsContact C-N 3.28Å; W681-N683 PolarHBondContact O-N 3.33Å
682	E	56.8	Low	68.9	Low	190 Å²	190	66.5 Å²	66.5	89%	0.888	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-80.8	-8.1	-177.9	-64.4	-174.5	168.3	0	0	113
683	N	53.5	Low	67.8	Low	138 Å²	138	69.5 Å²	69.5	74%	0.738	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-119.9	21.8	-176.2	-72.5	-42.6	0	0	0	113.6	W681	W681-N683 VanDerWaalsContact C-N 3.28Å; W681-N683 PolarHBondContact O-N 3.33Å
684	I	49.7	Very low	66.8	Low	104 Å²	104	75.5 Å²	75.5	53%	0.533	38%	0.383	S	S	.	.			trans	-126.5	0	-179.1	-60.2	173.2	0	0	0	107.8	K672 R675 L676 D680	K672-I684 HydrophobicContact CD-CG2 3.97Å; K672-I684 HydrophobicContact CG-CD1 4.28Å; K672-I684 HydrophobicContact CG-CG2 3.82Å; R675-I684 HydrophobicContact CB-CD1 3.88Å; L676-I684 HydrophobicContact CD2-CB 4.43Å; L676-I684 HydrophobicContact CD2-CD1 3.28Å; L676-I684 HydrophobicContact CD2-CG1 4.42Å; L676-I684 HydrophobicContact CD2-CG2 4.27Å; L676-I684 HydrophobicContact CG-CD1 3.59Å; D680-I684 VanDerWaalsContact O-CD1 3.26Å; D680-I684 WeakPolarHBondContact O-CD1 3.29Å; D680-I684 WeakPolarHBondContact O-CG1 3.4Å

Retrieved 684 of 684 residues in 457.7 ms (Link to these results)

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